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 1jxa_1_C 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 KLKGLDASIE 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 0.000 174.760 174.990 -0.384 0.000 1.270 1 C CA 0.000 58.846 59.018 -0.286 0.000 1.963 1 C CB 0.000 27.589 27.740 -0.252 0.000 2.134 2 G N 0.940 109.443 108.800 -0.495 0.000 2.931 2 G HA2 0.359 4.319 3.960 0.000 0.000 0.675 2 G HA3 0.359 4.319 3.960 0.000 0.000 0.675 2 G C -1.620 172.966 174.900 -0.523 0.000 1.339 2 G CA -0.729 44.119 45.100 -0.420 0.000 0.866 2 G HN 0.836 nan 8.290 nan 0.000 0.616 3 I N 0.588 120.943 120.570 -0.358 0.000 2.646 3 I HA 0.668 4.838 4.170 0.000 0.000 0.299 3 I C 0.122 176.147 176.117 -0.154 0.000 1.036 3 I CA -1.341 59.790 61.300 -0.281 0.000 1.074 3 I CB 2.575 40.453 38.000 -0.203 0.000 1.258 3 I HN 0.315 nan 8.210 nan 0.000 0.430 4 V N 4.230 124.089 119.914 -0.092 0.000 2.546 4 V HA 0.343 4.463 4.120 0.000 0.000 0.260 4 V C 0.466 176.566 176.094 0.010 0.000 0.933 4 V CA -0.439 61.831 62.300 -0.049 0.000 0.994 4 V CB 0.840 32.628 31.823 -0.059 0.000 1.160 4 V HN 0.914 nan 8.190 nan 0.000 0.523 5 G N 1.083 109.905 108.800 0.037 0.000 2.537 5 G HA2 0.774 4.734 3.960 0.000 0.000 0.273 5 G HA3 0.774 4.734 3.960 0.000 0.000 0.273 5 G C -0.162 174.822 174.900 0.140 0.000 1.189 5 G CA 0.425 45.572 45.100 0.078 0.000 0.881 5 G HN 0.854 nan 8.290 nan 0.000 0.535 6 A N -0.737 122.167 122.820 0.139 0.000 2.483 6 A HA 0.816 5.136 4.320 0.000 0.000 0.286 6 A C -0.772 176.856 177.584 0.073 0.000 1.207 6 A CA -0.567 51.576 52.037 0.177 0.000 0.764 6 A CB 1.829 20.953 19.000 0.207 0.000 1.341 6 A HN 1.372 nan 8.150 nan 0.000 0.428 7 I N -1.123 119.449 120.570 0.004 0.000 2.339 7 I HA 0.399 4.570 4.170 0.000 0.000 0.312 7 I C 0.091 176.144 176.117 -0.106 0.000 1.592 7 I CA 0.619 61.899 61.300 -0.034 0.000 0.724 7 I CB -0.299 37.686 38.000 -0.026 0.000 2.016 7 I HN 1.010 nan 8.210 nan 0.000 0.636 8 A N 0.262 123.021 122.820 -0.102 0.000 2.336 8 A HA 0.674 4.994 4.320 0.000 0.000 0.291 8 A C 0.939 178.485 177.584 -0.063 0.000 1.266 8 A CA 0.275 52.229 52.037 -0.139 0.000 0.891 8 A CB 0.579 19.513 19.000 -0.110 0.000 1.366 8 A HN 0.422 nan 8.150 nan 0.000 0.507 9 Q N -0.872 118.896 119.800 -0.053 0.000 2.107 9 Q HA 0.064 4.404 4.340 0.000 0.000 0.195 9 Q C 1.020 177.020 176.000 -0.001 0.000 0.964 9 Q CA 1.451 57.239 55.803 -0.026 0.000 0.833 9 Q CB -0.055 28.667 28.738 -0.026 0.000 0.910 9 Q HN 0.772 nan 8.270 nan 0.000 0.465 10 R N -0.184 120.323 120.500 0.012 0.000 2.740 10 R HA 0.409 4.749 4.340 0.000 0.000 0.223 10 R C -0.614 175.719 176.300 0.055 0.000 1.362 10 R CA -0.564 55.555 56.100 0.032 0.000 1.069 10 R CB -0.605 29.716 30.300 0.034 0.000 1.739 10 R HN -0.189 nan 8.270 nan 0.000 0.533 11 D N 0.957 121.397 120.400 0.066 0.000 2.402 11 D HA -0.013 4.628 4.640 0.000 0.000 0.268 11 D C 1.030 177.386 176.300 0.093 0.000 1.294 11 D CA 0.270 54.320 54.000 0.084 0.000 0.945 11 D CB 1.034 41.895 40.800 0.101 0.000 1.112 11 D HN 0.493 nan 8.370 nan 0.000 0.517 12 V N 1.716 121.689 119.914 0.099 0.000 2.951 12 V HA -0.025 4.096 4.120 0.000 0.000 0.255 12 V C 2.037 178.182 176.094 0.085 0.000 1.088 12 V CA 0.970 63.346 62.300 0.128 0.000 1.109 12 V CB -0.370 31.545 31.823 0.153 0.000 0.724 12 V HN 0.480 nan 8.190 nan 0.000 0.471 13 A N 1.398 124.257 122.820 0.064 0.000 1.901 13 A HA -0.409 3.911 4.320 0.000 0.000 0.227 13 A C 1.968 179.572 177.584 0.032 0.000 1.551 13 A CA 3.073 55.133 52.037 0.039 0.000 0.769 13 A CB -1.359 17.650 19.000 0.016 0.000 0.845 13 A HN 0.594 nan 8.150 nan 0.000 0.481 14 E N -0.636 119.581 120.200 0.028 0.000 2.267 14 E HA -0.111 4.239 4.350 0.000 0.000 0.197 14 E C 1.723 178.326 176.600 0.004 0.000 0.998 14 E CA 0.958 57.368 56.400 0.017 0.000 0.830 14 E CB -0.302 29.410 29.700 0.019 0.000 0.751 14 E HN 0.691 nan 8.360 nan 0.000 0.491 15 I N -0.121 120.455 120.570 0.009 0.000 2.546 15 I HA -0.200 3.970 4.170 0.000 0.000 0.255 15 I C 1.661 177.754 176.117 -0.040 0.000 1.163 15 I CA 0.608 61.887 61.300 -0.036 0.000 1.457 15 I CB 0.057 38.039 38.000 -0.030 0.000 1.092 15 I HN 0.151 nan 8.210 nan 0.000 0.434 16 L N -0.156 121.070 121.223 0.005 0.000 2.156 16 L HA -0.164 4.176 4.340 0.000 0.000 0.208 16 L C 2.261 179.127 176.870 -0.007 0.000 1.095 16 L CA 1.019 55.862 54.840 0.006 0.000 0.770 16 L CB -0.303 41.776 42.059 0.033 0.000 0.914 16 L HN 0.274 nan 8.230 nan 0.000 0.439 17 L N -1.013 120.208 121.223 -0.002 0.000 2.130 17 L HA -0.039 4.302 4.340 0.000 0.000 0.200 17 L C 2.020 178.885 176.870 -0.009 0.000 1.075 17 L CA 0.592 55.431 54.840 -0.001 0.000 0.768 17 L CB -0.370 41.694 42.059 0.008 0.000 0.933 17 L HN 0.087 nan 8.230 nan 0.000 0.451 18 E N 0.558 120.750 120.200 -0.014 0.000 2.516 18 E HA -0.044 4.307 4.350 0.000 0.000 0.199 18 E C 1.552 178.131 176.600 -0.034 0.000 1.069 18 E CA 0.480 56.870 56.400 -0.017 0.000 0.876 18 E CB -0.119 29.570 29.700 -0.017 0.000 0.843 18 E HN 0.391 nan 8.360 nan 0.000 0.530 19 G N -1.093 107.677 108.800 -0.050 0.000 3.192 19 G HA2 0.115 4.075 3.960 0.000 0.000 0.239 19 G HA3 0.115 4.075 3.960 0.000 0.000 0.239 19 G C 1.070 175.932 174.900 -0.064 0.000 1.084 19 G CA -0.229 44.828 45.100 -0.072 0.000 0.784 19 G HN 0.168 nan 8.290 nan 0.000 0.540 20 L N 0.216 121.411 121.223 -0.046 0.000 2.269 20 L HA 0.106 4.446 4.340 0.000 0.000 0.200 20 L C 3.073 179.918 176.870 -0.041 0.000 1.069 20 L CA 0.423 55.232 54.840 -0.051 0.000 0.804 20 L CB -0.170 41.871 42.059 -0.030 0.000 0.987 20 L HN 0.173 nan 8.230 nan 0.000 0.468 21 R N 0.627 121.120 120.500 -0.011 0.000 2.133 21 R HA -0.196 4.144 4.340 0.000 0.000 0.247 21 R C 1.439 177.758 176.300 0.031 0.000 1.151 21 R CA 1.345 57.455 56.100 0.016 0.000 0.971 21 R CB -0.663 29.656 30.300 0.030 0.000 0.866 21 R HN 0.249 nan 8.270 nan 0.000 0.447 22 R N 0.772 121.282 120.500 0.018 0.000 2.823 22 R HA 0.117 4.457 4.340 0.000 0.000 0.250 22 R C 0.209 176.518 176.300 0.015 0.000 1.332 22 R CA 0.041 56.164 56.100 0.039 0.000 1.259 22 R CB 0.244 30.554 30.300 0.017 0.000 1.225 22 R HN 0.192 nan 8.270 nan 0.000 0.545 23 L N -1.644 119.549 121.223 -0.051 0.000 3.902 23 L HA 0.128 4.469 4.340 0.000 0.000 0.375 23 L C 0.957 177.626 176.870 -0.336 0.000 1.252 23 L CA 0.395 55.113 54.840 -0.204 0.000 1.221 23 L CB 0.275 42.225 42.059 -0.182 0.000 1.484 23 L HN -0.009 nan 8.230 nan 0.000 0.620 24 E N -0.529 119.563 120.200 -0.179 0.000 2.076 24 E HA -0.214 4.136 4.350 0.000 0.000 0.190 24 E C 1.834 178.332 176.600 -0.171 0.000 0.979 24 E CA 1.501 57.831 56.400 -0.118 0.000 0.807 24 E CB -0.225 29.464 29.700 -0.018 0.000 0.761 24 E HN 0.604 nan 8.360 nan 0.000 0.454 25 Y N 0.795 121.004 120.300 -0.152 0.000 2.271 25 Y HA -0.191 4.360 4.550 0.000 0.000 0.284 25 Y C 1.015 176.868 175.900 -0.078 0.000 1.189 25 Y CA 1.157 59.132 58.100 -0.208 0.000 1.229 25 Y CB -0.546 37.721 38.460 -0.322 0.000 0.973 25 Y HN -0.143 nan 8.280 nan 0.000 0.537 26 R N 0.471 120.444 120.500 -0.879 0.000 2.445 26 R HA 0.444 4.784 4.340 0.000 0.000 0.308 26 R C 0.874 176.932 176.300 -0.402 0.000 0.961 26 R CA 0.070 55.812 56.100 -0.596 0.000 0.862 26 R CB 1.140 30.954 30.300 -0.809 0.000 1.144 26 R HN 0.604 nan 8.270 nan 0.000 0.447 27 G N 3.674 112.202 108.800 -0.454 0.000 2.168 27 G HA2 -0.350 3.610 3.960 0.000 0.000 0.263 27 G HA3 -0.350 3.610 3.960 0.000 0.000 0.263 27 G C 0.100 174.886 174.900 -0.191 0.000 0.977 27 G CA 0.708 45.546 45.100 -0.437 0.000 0.659 27 G HN 0.869 nan 8.290 nan 0.000 0.533 28 Y N 0.606 120.805 120.300 -0.169 0.000 3.571 28 Y HA 0.316 4.866 4.550 0.000 0.000 0.366 28 Y C 1.050 176.964 175.900 0.023 0.000 0.919 28 Y CA -0.110 57.956 58.100 -0.058 0.000 1.994 28 Y CB -1.227 37.215 38.460 -0.029 0.000 2.324 28 Y HN 0.265 nan 8.280 nan 0.000 0.407 29 D N 0.984 121.366 120.400 -0.031 0.000 2.278 29 D HA 0.054 4.695 4.640 0.000 0.000 0.228 29 D C 0.129 176.466 176.300 0.062 0.000 1.020 29 D CA 1.568 55.581 54.000 0.022 0.000 0.922 29 D CB 0.006 40.873 40.800 0.112 0.000 1.051 29 D HN 0.380 nan 8.370 nan 0.000 0.452 30 S N -0.637 115.110 115.700 0.078 0.000 2.649 30 S HA 0.735 5.206 4.470 0.000 0.000 0.274 30 S C -1.029 173.621 174.600 0.083 0.000 1.176 30 S CA -1.124 57.122 58.200 0.077 0.000 0.988 30 S CB 1.734 64.981 63.200 0.078 0.000 1.071 30 S HN 0.265 nan 8.310 nan 0.000 0.478 31 A N 2.664 125.525 122.820 0.068 0.000 2.280 31 A HA 0.817 5.137 4.320 0.000 0.000 0.320 31 A C 0.544 178.164 177.584 0.061 0.000 1.366 31 A CA -0.302 51.775 52.037 0.066 0.000 0.938 31 A CB -0.074 18.954 19.000 0.046 0.000 1.157 31 A HN 1.298 nan 8.150 nan 0.000 0.536 32 G N 1.159 110.006 108.800 0.079 0.000 2.471 32 G HA2 0.730 4.690 3.960 0.000 0.000 0.332 32 G HA3 0.730 4.690 3.960 0.000 0.000 0.332 32 G C -0.330 174.612 174.900 0.069 0.000 1.176 32 G CA -0.470 44.665 45.100 0.059 0.000 0.949 32 G HN 1.335 nan 8.290 nan 0.000 0.488 33 L N -2.397 118.856 121.223 0.050 0.000 2.630 33 L HA 1.032 5.372 4.340 0.000 0.000 0.249 33 L C -0.414 176.484 176.870 0.046 0.000 1.130 33 L CA -1.398 53.474 54.840 0.054 0.000 0.987 33 L CB 1.349 43.436 42.059 0.047 0.000 1.575 33 L HN 1.048 nan 8.230 nan 0.000 0.386 34 A N -0.177 122.673 122.820 0.051 0.000 2.586 34 A HA 0.858 5.178 4.320 0.000 0.000 0.290 34 A C -1.423 176.194 177.584 0.056 0.000 1.086 34 A CA -0.067 52.001 52.037 0.052 0.000 0.665 34 A CB 1.812 20.842 19.000 0.050 0.000 1.279 34 A HN 1.850 nan 8.150 nan 0.000 0.423 35 V N -2.207 117.741 119.914 0.058 0.000 2.775 35 V HA 0.712 4.833 4.120 0.000 0.000 0.295 35 V C -1.308 174.823 176.094 0.061 0.000 1.226 35 V CA -0.609 61.725 62.300 0.057 0.000 0.934 35 V CB 0.817 32.669 31.823 0.047 0.000 1.056 35 V HN 1.160 nan 8.190 nan 0.000 0.436 36 V N 4.619 124.569 119.914 0.061 0.000 2.419 36 V HA 0.420 4.540 4.120 0.000 0.000 0.287 36 V C 0.093 176.219 176.094 0.053 0.000 1.017 36 V CA -0.149 62.188 62.300 0.062 0.000 0.844 36 V CB 1.644 33.503 31.823 0.060 0.000 1.011 36 V HN 1.234 nan 8.190 nan 0.000 0.429 37 D N 4.576 125.009 120.400 0.055 0.000 2.223 37 D HA 0.261 4.901 4.640 0.000 0.000 0.250 37 D C 1.515 177.833 176.300 0.029 0.000 1.287 37 D CA 0.417 54.444 54.000 0.044 0.000 0.977 37 D CB 0.686 41.515 40.800 0.047 0.000 1.177 37 D HN 0.456 nan 8.370 nan 0.000 0.536 38 A N -0.701 122.131 122.820 0.020 0.000 1.834 38 A HA -0.271 4.049 4.320 0.000 0.000 0.216 38 A C 2.105 179.684 177.584 -0.009 0.000 1.203 38 A CA 2.212 54.252 52.037 0.005 0.000 0.621 38 A CB -1.385 17.616 19.000 0.001 0.000 0.841 38 A HN 0.798 nan 8.150 nan 0.000 0.446 39 E N -1.190 119.009 120.200 -0.003 0.000 2.019 39 E HA 0.078 4.428 4.350 0.000 0.000 0.208 39 E C 1.160 177.739 176.600 -0.036 0.000 1.030 39 E CA 1.497 57.887 56.400 -0.017 0.000 0.856 39 E CB -0.215 29.495 29.700 0.016 0.000 0.781 39 E HN 0.708 nan 8.360 nan 0.000 0.471 40 G N -2.424 106.376 108.800 -0.000 0.000 2.564 40 G HA2 0.054 4.014 3.960 0.000 0.000 0.139 40 G HA3 0.054 4.014 3.960 0.000 0.000 0.139 40 G C -1.232 173.708 174.900 0.067 0.000 1.147 40 G CA -0.259 44.829 45.100 -0.021 0.000 1.031 40 G HN 0.333 nan 8.290 nan 0.000 0.482 41 H N 0.053 119.118 119.070 -0.007 0.000 3.194 41 H HA -0.111 4.446 4.556 0.000 0.000 0.347 41 H C 0.787 176.128 175.328 0.021 0.000 1.106 41 H CA 1.062 57.114 56.048 0.007 0.000 1.110 41 H CB -0.940 28.825 29.762 0.005 0.000 1.586 41 H HN 0.835 nan 8.280 nan 0.000 0.391 42 M N 1.561 121.236 119.600 0.126 0.000 2.131 42 M HA 0.089 4.569 4.480 0.000 0.000 0.283 42 M C 0.107 176.471 176.300 0.107 0.000 1.225 42 M CA 1.161 56.522 55.300 0.102 0.000 1.153 42 M CB 0.540 33.191 32.600 0.085 0.000 1.380 42 M HN 0.425 nan 8.290 nan 0.000 0.458 43 T N 2.036 116.640 114.554 0.084 0.000 3.954 43 T HA 0.247 4.597 4.350 0.000 0.000 0.226 43 T C -0.409 174.340 174.700 0.081 0.000 1.049 43 T CA -0.555 61.596 62.100 0.086 0.000 1.481 43 T CB -0.191 68.714 68.868 0.063 0.000 0.853 43 T HN 0.755 nan 8.240 nan 0.000 0.632 44 R N 1.836 122.377 120.500 0.069 0.000 2.538 44 R HA 0.251 4.591 4.340 0.000 0.000 0.282 44 R C -0.687 175.640 176.300 0.045 0.000 1.009 44 R CA -0.125 56.004 56.100 0.049 0.000 1.063 44 R CB 0.175 30.495 30.300 0.034 0.000 0.945 44 R HN 0.237 nan 8.270 nan 0.000 0.414 45 L N 5.937 127.181 121.223 0.035 0.000 2.488 45 L HA 0.357 4.698 4.340 0.000 0.000 0.250 45 L C -0.956 175.923 176.870 0.015 0.000 1.280 45 L CA -0.179 54.676 54.840 0.024 0.000 0.929 45 L CB 0.694 42.780 42.059 0.044 0.000 1.200 45 L HN 0.617 nan 8.230 nan 0.000 0.495 46 R N 2.662 123.164 120.500 0.005 0.000 2.428 46 R HA 0.755 5.095 4.340 0.000 0.000 0.294 46 R C -0.355 175.948 176.300 0.004 0.000 1.000 46 R CA -0.824 55.280 56.100 0.007 0.000 0.960 46 R CB 1.527 31.826 30.300 -0.002 0.000 1.076 46 R HN 0.303 nan 8.270 nan 0.000 0.475 47 R N 1.041 121.550 120.500 0.015 0.000 2.869 47 R HA 0.383 4.723 4.340 0.000 0.000 0.263 47 R C -1.260 175.055 176.300 0.025 0.000 1.066 47 R CA -1.381 54.727 56.100 0.014 0.000 0.960 47 R CB 1.106 31.414 30.300 0.013 0.000 1.221 47 R HN 0.289 nan 8.270 nan 0.000 0.474 48 L N 1.076 122.313 121.223 0.023 0.000 2.259 48 L HA 0.572 4.912 4.340 0.000 0.000 0.288 48 L C 0.183 177.076 176.870 0.038 0.000 1.051 48 L CA 0.904 55.761 54.840 0.030 0.000 0.824 48 L CB 0.649 42.721 42.059 0.022 0.000 1.206 48 L HN 0.855 nan 8.230 nan 0.000 0.429 49 G N 4.058 112.887 108.800 0.049 0.000 2.347 49 G HA2 0.040 4.000 3.960 0.000 0.000 0.341 49 G HA3 0.040 4.000 3.960 0.000 0.000 0.341 49 G C -1.392 173.554 174.900 0.076 0.000 1.287 49 G CA -0.477 44.660 45.100 0.063 0.000 0.984 49 G HN 0.735 nan 8.290 nan 0.000 0.526 50 K N -1.025 119.438 120.400 0.105 0.000 2.127 50 K HA 0.669 4.989 4.320 0.000 0.000 0.240 50 K C 0.489 177.139 176.600 0.084 0.000 1.024 50 K CA -0.626 55.732 56.287 0.119 0.000 0.918 50 K CB 1.250 33.882 32.500 0.220 0.000 1.108 50 K HN 0.529 nan 8.250 nan 0.000 0.485 51 V N 1.917 121.870 119.914 0.067 0.000 1.929 51 V HA -0.095 4.025 4.120 0.000 0.000 0.238 51 V C 1.196 177.317 176.094 0.045 0.000 1.719 51 V CA 0.743 63.070 62.300 0.044 0.000 1.654 51 V CB -1.757 30.081 31.823 0.024 0.000 1.574 51 V HN 0.843 nan 8.190 nan 0.000 0.497 52 Q N 1.553 121.383 119.800 0.050 0.000 2.618 52 Q HA 0.212 4.553 4.340 0.000 0.000 0.209 52 Q C 1.729 177.751 176.000 0.037 0.000 0.797 52 Q CA -0.044 55.788 55.803 0.047 0.000 0.888 52 Q CB 0.411 29.186 28.738 0.061 0.000 1.244 52 Q HN 0.631 nan 8.270 nan 0.000 0.626 53 M N 1.398 121.020 119.600 0.038 0.000 2.495 53 M HA 0.058 4.538 4.480 0.000 0.000 0.237 53 M C 1.430 177.745 176.300 0.025 0.000 1.131 53 M CA 0.019 55.337 55.300 0.029 0.000 1.032 53 M CB 0.342 32.959 32.600 0.028 0.000 1.513 53 M HN 0.181 nan 8.290 nan 0.000 0.488 54 L N 0.922 122.162 121.223 0.028 0.000 2.549 54 L HA 0.089 4.430 4.340 0.000 0.000 0.229 54 L C 2.057 178.941 176.870 0.023 0.000 1.158 54 L CA 1.192 56.047 54.840 0.024 0.000 0.842 54 L CB -0.695 41.381 42.059 0.028 0.000 0.952 54 L HN 0.203 nan 8.230 nan 0.000 0.452 55 A N -1.727 121.107 122.820 0.022 0.000 2.132 55 A HA -0.006 4.315 4.320 0.000 0.000 0.213 55 A C 1.983 179.579 177.584 0.021 0.000 1.154 55 A CA 0.330 52.380 52.037 0.021 0.000 0.753 55 A CB -0.182 18.830 19.000 0.019 0.000 0.826 55 A HN 0.493 nan 8.150 nan 0.000 0.469 56 Q N -0.159 119.653 119.800 0.021 0.000 2.083 56 Q HA -0.013 4.327 4.340 0.000 0.000 0.198 56 Q C 1.946 177.962 176.000 0.027 0.000 0.969 56 Q CA 1.423 57.239 55.803 0.021 0.000 0.838 56 Q CB -0.614 28.134 28.738 0.017 0.000 0.900 56 Q HN 0.596 nan 8.270 nan 0.000 0.436 57 A N 0.263 123.098 122.820 0.024 0.000 2.265 57 A HA 0.314 4.634 4.320 0.000 0.000 0.213 57 A C 1.517 179.142 177.584 0.068 0.000 1.255 57 A CA 0.910 52.967 52.037 0.034 0.000 0.862 57 A CB -0.303 18.697 19.000 -0.001 0.000 0.852 57 A HN 0.296 nan 8.150 nan 0.000 0.484 58 A N 0.499 123.346 122.820 0.045 0.000 2.106 58 A HA 0.156 4.476 4.320 0.000 0.000 0.218 58 A C 1.699 179.293 177.584 0.017 0.000 1.718 58 A CA 0.621 52.674 52.037 0.027 0.000 0.768 58 A CB -0.342 18.667 19.000 0.015 0.000 1.321 58 A HN 0.509 nan 8.150 nan 0.000 0.567 59 E N 0.654 120.866 120.200 0.020 0.000 2.478 59 E HA -0.092 4.258 4.350 0.000 0.000 0.198 59 E C -0.212 176.406 176.600 0.031 0.000 1.046 59 E CA 0.992 57.404 56.400 0.020 0.000 0.870 59 E CB -0.182 29.531 29.700 0.022 0.000 0.818 59 E HN 0.690 nan 8.360 nan 0.000 0.527 60 E N 0.296 120.525 120.200 0.048 0.000 3.388 60 E HA 0.190 4.540 4.350 0.000 0.000 0.214 60 E C -1.147 175.540 176.600 0.146 0.000 1.040 60 E CA -0.257 56.183 56.400 0.067 0.000 1.327 60 E CB 0.263 29.992 29.700 0.048 0.000 1.243 60 E HN 0.273 nan 8.360 nan 0.000 0.444 61 H N -1.034 118.020 119.070 -0.026 0.000 6.346 61 H HA 0.008 4.564 4.556 0.001 0.000 0.895 61 H C -2.980 172.295 175.328 -0.088 0.000 1.980 61 H CA -0.864 55.161 56.048 -0.039 0.000 1.390 61 H CB -0.782 28.964 29.762 -0.027 0.000 4.732 61 H HN 0.178 nan 8.280 nan 0.000 0.698 62 P HA -0.012 nan 4.420 nan 0.000 0.263 62 P C -0.008 176.977 177.300 -0.526 0.000 1.175 62 P CA 0.056 62.922 63.100 -0.389 0.000 0.761 62 P CB 0.620 32.025 31.700 -0.492 0.000 0.794 63 L N 3.744 124.723 121.223 -0.408 0.000 2.959 63 L HA 0.130 4.471 4.340 0.000 0.000 0.236 63 L C 0.580 177.330 176.870 -0.201 0.000 1.296 63 L CA -0.248 54.449 54.840 -0.239 0.000 1.047 63 L CB -0.967 41.047 42.059 -0.075 0.000 1.395 63 L HN 0.456 nan 8.230 nan 0.000 0.492 64 H N 1.559 120.617 119.070 -0.021 0.000 3.847 64 H HA 0.170 4.726 4.556 0.000 0.000 0.228 64 H C 0.931 176.260 175.328 0.002 0.000 1.313 64 H CA 0.410 56.453 56.048 -0.009 0.000 1.530 64 H CB -0.108 29.642 29.762 -0.020 0.000 1.732 64 H HN 0.524 nan 8.280 nan 0.000 0.631 65 G N 0.036 108.892 108.800 0.094 0.000 3.211 65 G HA2 0.510 4.470 3.960 0.000 0.000 0.167 65 G HA3 0.510 4.470 3.960 0.000 0.000 0.167 65 G C 0.561 175.503 174.900 0.070 0.000 1.212 65 G CA -0.190 44.953 45.100 0.072 0.000 0.928 65 G HN 0.490 nan 8.290 nan 0.000 0.607 66 G N -1.999 106.837 108.800 0.060 0.000 4.225 66 G HA2 0.357 4.317 3.960 0.000 0.000 0.177 66 G HA3 0.357 4.317 3.960 0.000 0.000 0.177 66 G C -0.090 174.843 174.900 0.054 0.000 0.949 66 G CA 0.857 45.991 45.100 0.057 0.000 0.796 66 G HN 0.850 nan 8.290 nan 0.000 0.504 67 T N -0.020 114.568 114.554 0.055 0.000 2.906 67 T HA 0.810 5.160 4.350 0.000 0.000 0.295 67 T C -0.047 174.692 174.700 0.064 0.000 1.061 67 T CA 0.054 62.188 62.100 0.057 0.000 1.000 67 T CB 2.393 71.290 68.868 0.047 0.000 1.103 67 T HN 1.484 nan 8.240 nan 0.000 0.486 68 G N 1.274 110.116 108.800 0.070 0.000 2.333 68 G HA2 0.380 4.340 3.960 0.000 0.000 0.330 68 G HA3 0.380 4.340 3.960 0.000 0.000 0.330 68 G C -1.954 172.990 174.900 0.074 0.000 1.465 68 G CA -0.771 44.370 45.100 0.069 0.000 0.996 68 G HN 0.971 nan 8.290 nan 0.000 0.655 69 I N -1.033 119.580 120.570 0.071 0.000 2.474 69 I HA 0.934 5.104 4.170 0.000 0.000 0.294 69 I C 0.284 176.446 176.117 0.075 0.000 1.005 69 I CA -0.931 60.412 61.300 0.073 0.000 1.113 69 I CB 1.021 39.071 38.000 0.083 0.000 1.289 69 I HN 1.451 nan 8.210 nan 0.000 0.436 70 A N 5.666 128.523 122.820 0.061 0.000 2.420 70 A HA 0.856 5.177 4.320 0.000 0.000 0.291 70 A C -0.663 176.984 177.584 0.106 0.000 1.228 70 A CA -0.116 51.961 52.037 0.067 0.000 0.933 70 A CB 0.684 19.701 19.000 0.028 0.000 1.428 70 A HN 1.030 nan 8.150 nan 0.000 0.493 71 H N -1.448 117.606 119.070 -0.026 0.000 2.988 71 H HA 0.402 4.959 4.556 0.000 0.000 0.284 71 H C -1.749 173.533 175.328 -0.077 0.000 1.284 71 H CA 0.280 56.287 56.048 -0.069 0.000 1.431 71 H CB 1.033 30.767 29.762 -0.046 0.000 1.954 71 H HN 1.008 nan 8.280 nan 0.000 0.509 72 T N 1.534 116.219 114.554 0.219 0.000 2.912 72 T HA 0.640 4.990 4.350 0.000 0.000 0.299 72 T C 0.095 174.909 174.700 0.189 0.000 1.052 72 T CA -0.999 61.194 62.100 0.156 0.000 0.996 72 T CB 2.821 71.678 68.868 -0.017 0.000 1.070 72 T HN 0.579 nan 8.240 nan 0.000 0.465 73 R N 0.914 121.501 120.500 0.145 0.000 2.719 73 R HA 0.550 4.890 4.340 0.000 0.000 0.233 73 R C -1.145 175.295 176.300 0.233 0.000 1.257 73 R CA -1.204 55.004 56.100 0.180 0.000 1.109 73 R CB 1.260 31.698 30.300 0.230 0.000 1.447 73 R HN 0.818 nan 8.270 nan 0.000 0.537 74 W N 1.284 122.608 121.300 0.041 0.000 2.406 74 W HA 0.411 5.071 4.660 0.001 0.000 0.308 74 W C -0.479 176.029 176.519 -0.017 0.000 0.965 74 W CA -0.934 56.401 57.345 -0.016 0.000 1.589 74 W CB 1.338 30.789 29.460 -0.014 0.000 1.417 74 W HN 0.698 nan 8.180 nan 0.000 0.415 75 A N 3.192 126.183 122.820 0.285 0.000 3.004 75 A HA -0.005 4.315 4.320 0.000 0.000 0.254 75 A C 1.531 178.999 177.584 -0.193 0.000 1.857 75 A CA 1.225 53.295 52.037 0.055 0.000 1.460 75 A CB -0.756 18.285 19.000 0.068 0.000 0.963 75 A HN 0.686 nan 8.150 nan 0.000 0.624 76 T N -1.231 113.061 114.554 -0.437 0.000 2.643 76 T HA -0.060 4.290 4.350 0.000 0.000 0.256 76 T C 0.928 175.384 174.700 -0.408 0.000 1.061 76 T CA 0.814 62.486 62.100 -0.713 0.000 1.163 76 T CB -0.632 67.613 68.868 -1.038 0.000 0.865 76 T HN 0.624 nan 8.240 nan 0.000 0.407 77 H N 2.412 121.380 119.070 -0.171 0.000 2.848 77 H HA 0.408 4.964 4.556 0.000 0.000 0.341 77 H C 1.812 177.099 175.328 -0.069 0.000 1.060 77 H CA 0.123 56.110 56.048 -0.102 0.000 1.444 77 H CB -0.117 29.607 29.762 -0.063 0.000 1.446 77 H HN 0.652 nan 8.280 nan 0.000 0.583 78 G N 3.017 111.852 108.800 0.058 0.000 2.607 78 G HA2 -0.361 3.600 3.960 0.000 0.000 0.664 78 G HA3 -0.361 3.600 3.960 0.000 0.000 0.664 78 G C 0.117 175.027 174.900 0.016 0.000 1.264 78 G CA 1.252 46.365 45.100 0.022 0.000 0.906 78 G HN 0.753 nan 8.290 nan 0.000 0.599 79 E N -0.459 119.754 120.200 0.022 0.000 3.686 79 E HA 0.208 4.558 4.350 0.000 0.000 0.219 79 E C -2.718 173.897 176.600 0.025 0.000 1.076 79 E CA -0.670 55.745 56.400 0.025 0.000 1.439 79 E CB 1.162 30.871 29.700 0.015 0.000 1.193 79 E HN 0.318 nan 8.360 nan 0.000 0.382 80 P HA 0.016 nan 4.420 nan 0.000 0.240 80 P C 0.361 177.681 177.300 0.032 0.000 1.594 80 P CA 0.458 63.573 63.100 0.026 0.000 1.184 80 P CB 0.442 32.158 31.700 0.028 0.000 1.915 81 S N 2.426 118.143 115.700 0.028 0.000 2.446 81 S HA -0.197 4.274 4.470 0.000 0.000 0.200 81 S C 1.764 176.383 174.600 0.033 0.000 1.248 81 S CA 1.328 59.547 58.200 0.032 0.000 1.813 81 S CB -0.603 62.612 63.200 0.024 0.000 0.870 81 S HN 0.573 nan 8.310 nan 0.000 0.371 82 E N 1.208 121.423 120.200 0.024 0.000 2.081 82 E HA -0.277 4.073 4.350 0.000 0.000 0.235 82 E C 1.873 178.482 176.600 0.015 0.000 1.043 82 E CA 2.071 58.482 56.400 0.019 0.000 0.924 82 E CB -1.099 28.608 29.700 0.012 0.000 0.821 82 E HN 0.243 nan 8.360 nan 0.000 0.517 83 V N 2.351 122.275 119.914 0.017 0.000 2.370 83 V HA -0.331 3.789 4.120 0.000 0.000 0.252 83 V C 2.068 178.175 176.094 0.022 0.000 1.068 83 V CA 2.475 64.786 62.300 0.019 0.000 1.061 83 V CB -1.069 30.771 31.823 0.029 0.000 0.656 83 V HN 0.341 nan 8.190 nan 0.000 0.455 84 N N 0.364 119.083 118.700 0.032 0.000 2.223 84 N HA 0.001 4.742 4.740 0.000 0.000 0.185 84 N C 0.925 176.440 175.510 0.008 0.000 1.016 84 N CA 0.934 54.009 53.050 0.042 0.000 0.863 84 N CB -0.499 38.024 38.487 0.060 0.000 0.983 84 N HN 0.577 nan 8.380 nan 0.000 0.429 85 A N 0.449 123.273 122.820 0.007 0.000 2.567 85 A HA 0.008 4.328 4.320 0.000 0.000 0.236 85 A C -0.407 177.038 177.584 -0.232 0.000 1.088 85 A CA 0.358 52.399 52.037 0.007 0.000 0.776 85 A CB -0.133 18.882 19.000 0.024 0.000 1.033 85 A HN 0.378 nan 8.150 nan 0.000 0.513 86 H N 0.677 119.572 119.070 -0.291 0.000 2.463 86 H HA 0.530 5.086 4.556 0.000 0.000 0.332 86 H C -2.363 172.825 175.328 -0.233 0.000 1.127 86 H CA -1.522 54.228 56.048 -0.497 0.000 1.238 86 H CB 0.974 30.356 29.762 -0.633 0.000 1.478 86 H HN 0.425 nan 8.280 nan 0.000 0.499 87 P HA 0.165 nan 4.420 nan 0.000 0.281 87 P C -0.227 176.811 177.300 -0.436 0.000 1.281 87 P CA -0.440 62.472 63.100 -0.313 0.000 0.811 87 P CB 1.205 32.850 31.700 -0.091 0.000 1.154 88 H N -1.644 117.324 119.070 -0.169 0.000 2.580 88 H HA 0.340 4.896 4.556 0.000 0.000 0.324 88 H C -0.359 174.874 175.328 -0.159 0.000 1.436 88 H CA -0.675 55.251 56.048 -0.203 0.000 1.464 88 H CB 0.278 29.871 29.762 -0.281 0.000 1.752 88 H HN 0.014 nan 8.280 nan 0.000 0.726 89 V N 1.373 121.290 119.914 0.005 0.000 2.304 89 V HA 0.101 4.222 4.120 0.000 0.000 0.262 89 V C 0.528 176.537 176.094 -0.142 0.000 1.061 89 V CA 0.072 62.360 62.300 -0.021 0.000 0.872 89 V CB 0.466 32.320 31.823 0.050 0.000 1.077 89 V HN 0.618 nan 8.190 nan 0.000 0.480 90 S N 3.512 119.057 115.700 -0.259 0.000 2.399 90 S HA 0.316 4.787 4.470 0.000 0.000 0.198 90 S C 0.612 175.070 174.600 -0.237 0.000 1.294 90 S CA -0.353 57.544 58.200 -0.505 0.000 1.237 90 S CB -0.322 62.312 63.200 -0.944 0.000 1.286 90 S HN 0.866 nan 8.310 nan 0.000 0.404 91 E N 1.486 121.650 120.200 -0.059 0.000 3.859 91 E HA -0.226 4.124 4.350 0.000 0.000 0.218 91 E C 0.124 176.738 176.600 0.023 0.000 1.195 91 E CA 2.308 58.684 56.400 -0.039 0.000 2.145 91 E CB -1.220 28.309 29.700 -0.285 0.000 1.807 91 E HN 0.870 nan 8.360 nan 0.000 0.338 92 H N -0.656 118.413 119.070 -0.003 0.000 3.109 92 H HA 0.311 4.867 4.556 0.000 0.000 0.248 92 H C 0.400 175.723 175.328 -0.009 0.000 1.177 92 H CA -0.196 55.851 56.048 -0.002 0.000 0.977 92 H CB 0.067 29.835 29.762 0.010 0.000 2.165 92 H HN 0.083 nan 8.280 nan 0.000 0.693 93 I N 2.823 123.279 120.570 -0.191 0.000 2.781 93 I HA 0.088 4.259 4.170 0.000 0.000 0.303 93 I C 0.723 176.786 176.117 -0.090 0.000 1.161 93 I CA -0.798 60.419 61.300 -0.138 0.000 1.341 93 I CB -0.395 37.473 38.000 -0.220 0.000 1.585 93 I HN -0.048 nan 8.210 nan 0.000 0.567 94 V N 3.117 123.016 119.914 -0.025 0.000 2.539 94 V HA -0.073 4.047 4.120 0.000 0.000 0.294 94 V C 0.807 176.914 176.094 0.022 0.000 0.994 94 V CA 0.408 62.706 62.300 -0.004 0.000 1.169 94 V CB 0.215 32.054 31.823 0.028 0.000 0.898 94 V HN 0.207 nan 8.190 nan 0.000 0.471 95 V N 5.640 125.575 119.914 0.035 0.000 3.193 95 V HA 0.821 4.942 4.120 0.000 0.000 0.320 95 V C -0.153 176.059 176.094 0.196 0.000 1.112 95 V CA -0.291 62.074 62.300 0.109 0.000 1.026 95 V CB 2.429 34.306 31.823 0.090 0.000 1.128 95 V HN 0.818 nan 8.190 nan 0.000 0.452 96 V N -0.012 120.085 119.914 0.304 0.000 2.882 96 V HA 0.561 4.681 4.120 0.000 0.000 0.295 96 V C -1.146 175.276 176.094 0.546 0.000 1.273 96 V CA -0.756 61.850 62.300 0.510 0.000 0.949 96 V CB 1.516 33.612 31.823 0.456 0.000 1.071 96 V HN 1.122 nan 8.190 nan 0.000 0.432 97 H N 2.536 121.914 119.070 0.514 0.000 2.670 97 H HA 0.677 5.234 4.556 0.000 0.000 0.361 97 H C -1.404 174.133 175.328 0.349 0.000 1.169 97 H CA -1.093 55.205 56.048 0.415 0.000 1.198 97 H CB 2.401 32.388 29.762 0.375 0.000 1.700 97 H HN 0.710 nan 8.280 nan 0.000 0.542 98 N N 0.675 119.351 118.700 -0.041 0.000 2.791 98 N HA 0.350 5.091 4.740 0.000 0.000 0.265 98 N C 0.002 175.497 175.510 -0.025 0.000 1.580 98 N CA 0.535 53.471 53.050 -0.191 0.000 0.809 98 N CB 0.188 38.593 38.487 -0.136 0.000 1.178 98 N HN 1.113 nan 8.380 nan 0.000 0.499 99 G N 0.996 109.791 108.800 -0.008 0.000 2.011 99 G HA2 0.081 4.041 3.960 0.000 0.000 0.054 99 G HA3 0.081 4.041 3.960 0.000 0.000 0.054 99 G C -1.501 173.615 174.900 0.360 0.000 0.853 99 G CA -0.047 45.159 45.100 0.176 0.000 1.135 99 G HN 0.379 nan 8.290 nan 0.000 0.372 100 I N 0.053 120.842 120.570 0.365 0.000 3.093 100 I HA 0.682 4.853 4.170 0.000 0.000 0.308 100 I C -1.395 174.807 176.117 0.142 0.000 1.303 100 I CA -0.982 60.486 61.300 0.280 0.000 0.975 100 I CB 2.240 40.363 38.000 0.206 0.000 1.286 100 I HN 0.459 nan 8.210 nan 0.000 0.459 101 I N 4.658 125.246 120.570 0.029 0.000 2.555 101 I HA 0.294 4.465 4.170 0.000 0.000 0.275 101 I C 0.949 177.072 176.117 0.010 0.000 1.082 101 I CA -0.313 60.944 61.300 -0.071 0.000 1.167 101 I CB 0.932 38.829 38.000 -0.172 0.000 1.312 101 I HN 0.739 nan 8.210 nan 0.000 0.493 102 E N 3.790 124.008 120.200 0.030 0.000 2.055 102 E HA -0.248 4.102 4.350 0.000 0.000 0.209 102 E C 1.201 177.826 176.600 0.041 0.000 1.036 102 E CA 1.843 58.272 56.400 0.047 0.000 0.849 102 E CB -0.029 29.697 29.700 0.043 0.000 0.767 102 E HN 0.676 nan 8.360 nan 0.000 0.461 103 N N 1.094 119.805 118.700 0.018 0.000 2.585 103 N HA -0.161 4.579 4.740 0.000 0.000 0.213 103 N C 1.081 176.616 175.510 0.043 0.000 1.385 103 N CA 0.527 53.583 53.050 0.010 0.000 0.871 103 N CB -0.570 37.913 38.487 -0.007 0.000 1.154 103 N HN 0.439 nan 8.380 nan 0.000 0.474 104 H N 0.728 119.762 119.070 -0.059 0.000 2.290 104 H HA -0.125 4.432 4.556 0.000 0.000 0.298 104 H C 1.127 176.410 175.328 -0.076 0.000 1.087 104 H CA 1.607 57.617 56.048 -0.064 0.000 1.291 104 H CB 0.297 30.022 29.762 -0.062 0.000 1.369 104 H HN 0.348 nan 8.280 nan 0.000 0.492 105 E N 0.270 120.329 120.200 -0.235 0.000 2.068 105 E HA -0.222 4.128 4.350 0.000 0.000 0.207 105 E C -0.548 175.935 176.600 -0.194 0.000 1.032 105 E CA 1.966 58.184 56.400 -0.303 0.000 0.839 105 E CB -0.906 28.667 29.700 -0.211 0.000 0.758 105 E HN 0.573 nan 8.360 nan 0.000 0.457 106 P HA -0.195 nan 4.420 nan 0.000 0.208 106 P C 1.525 178.776 177.300 -0.082 0.000 1.180 106 P CA 1.249 64.295 63.100 -0.089 0.000 0.935 106 P CB -0.150 31.516 31.700 -0.057 0.000 0.785 107 L N -0.706 120.501 121.223 -0.028 0.000 2.043 107 L HA -0.154 4.186 4.340 0.000 0.000 0.212 107 L C 2.765 179.648 176.870 0.023 0.000 1.075 107 L CA 1.717 56.570 54.840 0.021 0.000 0.752 107 L CB -1.332 40.766 42.059 0.065 0.000 0.891 107 L HN -0.067 nan 8.230 nan 0.000 0.432 108 R N -0.160 120.342 120.500 0.003 0.000 2.228 108 R HA -0.267 4.074 4.340 0.000 0.000 0.264 108 R C 1.436 177.233 176.300 -0.837 0.000 1.179 108 R CA 2.294 58.273 56.100 -0.203 0.000 0.998 108 R CB -0.058 30.058 30.300 -0.308 0.000 0.885 108 R HN 0.555 nan 8.270 nan 0.000 0.466 109 E N -1.844 118.078 120.200 -0.462 0.000 2.541 109 E HA -0.020 4.331 4.350 0.000 0.000 0.219 109 E C 1.051 177.533 176.600 -0.196 0.000 0.922 109 E CA -0.137 56.010 56.400 -0.422 0.000 1.095 109 E CB 0.496 30.012 29.700 -0.306 0.000 1.112 109 E HN 0.343 nan 8.360 nan 0.000 0.516 110 E N 1.102 121.232 120.200 -0.117 0.000 2.331 110 E HA -0.141 4.209 4.350 0.000 0.000 0.199 110 E C 1.520 178.109 176.600 -0.019 0.000 1.008 110 E CA 0.766 57.124 56.400 -0.070 0.000 0.843 110 E CB 0.224 29.881 29.700 -0.071 0.000 0.761 110 E HN 0.257 nan 8.360 nan 0.000 0.507 111 L N -0.516 120.784 121.223 0.128 0.000 2.515 111 L HA 0.091 4.431 4.340 0.000 0.000 0.223 111 L C 2.356 179.366 176.870 0.233 0.000 1.079 111 L CA 0.052 55.069 54.840 0.296 0.000 0.857 111 L CB -0.160 42.309 42.059 0.684 0.000 1.050 111 L HN 0.008 nan 8.230 nan 0.000 0.476 112 K N 1.817 122.316 120.400 0.166 0.000 1.977 112 K HA -0.166 4.154 4.320 0.000 0.000 0.218 112 K C 1.398 178.000 176.600 0.003 0.000 1.051 112 K CA 1.867 58.200 56.287 0.076 0.000 0.953 112 K CB -0.124 32.330 32.500 -0.076 0.000 0.727 112 K HN 0.224 nan 8.250 nan 0.000 0.445 113 A N 0.762 123.560 122.820 -0.036 0.000 2.728 113 A HA 0.115 4.435 4.320 0.000 0.000 0.258 113 A C 1.256 178.804 177.584 -0.060 0.000 1.454 113 A CA 0.049 52.057 52.037 -0.048 0.000 1.146 113 A CB -0.294 18.675 19.000 -0.051 0.000 0.985 113 A HN 0.430 nan 8.150 nan 0.000 0.603 114 R N -1.979 118.473 120.500 -0.079 0.000 2.573 114 R HA 0.289 4.630 4.340 0.000 0.000 0.224 114 R C 1.222 177.391 176.300 -0.220 0.000 0.904 114 R CA 1.019 57.044 56.100 -0.124 0.000 0.995 114 R CB 0.711 30.927 30.300 -0.140 0.000 1.430 114 R HN 0.598 nan 8.270 nan 0.000 0.631 115 G N -0.886 107.745 108.800 -0.282 0.000 3.617 115 G HA2 -0.078 3.882 3.960 0.000 0.000 0.217 115 G HA3 -0.078 3.882 3.960 0.000 0.000 0.217 115 G C -0.779 173.912 174.900 -0.348 0.000 0.967 115 G CA -0.547 44.332 45.100 -0.368 0.000 0.878 115 G HN 0.052 nan 8.290 nan 0.000 0.439 116 Y N 2.084 122.368 120.300 -0.025 0.000 2.299 116 Y HA 0.639 5.189 4.550 0.000 0.000 0.326 116 Y C 0.336 176.212 175.900 -0.040 0.000 1.164 116 Y CA -0.313 57.694 58.100 -0.157 0.000 1.234 116 Y CB 1.570 39.773 38.460 -0.429 0.000 1.219 116 Y HN -0.082 nan 8.280 nan 0.000 0.497 117 T N 4.920 119.506 114.554 0.054 0.000 2.977 117 T HA 0.378 4.729 4.350 0.000 0.000 0.346 117 T C -0.563 174.218 174.700 0.135 0.000 1.140 117 T CA -0.715 61.475 62.100 0.150 0.000 1.040 117 T CB -0.486 68.430 68.868 0.080 0.000 1.046 117 T HN 0.175 nan 8.240 nan 0.000 0.494 118 F N 2.081 121.986 119.950 -0.076 0.000 2.539 118 F HA 0.293 4.821 4.527 0.000 0.000 0.340 118 F C 1.357 177.159 175.800 0.004 0.000 1.185 118 F CA -0.750 57.229 58.000 -0.036 0.000 1.333 118 F CB 0.408 39.396 39.000 -0.020 0.000 1.152 118 F HN 0.343 nan 8.300 nan 0.000 0.602 119 V N -1.299 118.738 119.914 0.204 0.000 3.098 119 V HA 0.516 4.636 4.120 0.000 0.000 0.416 119 V C -0.279 175.881 176.094 0.109 0.000 1.449 119 V CA -0.152 62.224 62.300 0.126 0.000 1.486 119 V CB -0.120 31.757 31.823 0.089 0.000 1.277 119 V HN 0.650 nan 8.190 nan 0.000 0.623 120 S N -0.080 115.702 115.700 0.137 0.000 2.587 120 S HA 0.504 4.975 4.470 0.000 0.000 0.269 120 S C -0.128 174.538 174.600 0.110 0.000 1.154 120 S CA -0.335 57.922 58.200 0.094 0.000 0.824 120 S CB 2.376 65.615 63.200 0.064 0.000 1.118 120 S HN 0.507 nan 8.310 nan 0.000 0.462 121 E N 0.731 120.979 120.200 0.080 0.000 2.476 121 E HA 0.137 4.488 4.350 0.000 0.000 0.196 121 E C -0.387 176.298 176.600 0.141 0.000 1.029 121 E CA 0.055 56.525 56.400 0.116 0.000 0.896 121 E CB 0.566 30.307 29.700 0.068 0.000 1.012 121 E HN 0.493 nan 8.360 nan 0.000 0.475 122 T N 2.333 116.867 114.554 -0.033 0.000 2.901 122 T HA -0.041 4.309 4.350 0.000 0.000 0.301 122 T C 0.937 175.236 174.700 -0.669 0.000 1.012 122 T CA -0.271 61.692 62.100 -0.228 0.000 1.135 122 T CB 0.826 69.516 68.868 -0.296 0.000 0.936 122 T HN 0.207 nan 8.240 nan 0.000 0.539 123 D N 1.762 121.702 120.400 -0.766 0.000 2.392 123 D HA -0.076 4.565 4.640 0.000 0.000 0.228 123 D C 1.011 176.878 176.300 -0.722 0.000 1.003 123 D CA 0.542 53.822 54.000 -1.201 0.000 0.917 123 D CB -0.070 40.504 40.800 -0.376 0.000 0.890 123 D HN 0.440 nan 8.370 nan 0.000 0.532 124 T N 0.271 114.418 114.554 -0.677 0.000 3.018 124 T HA -0.042 4.308 4.350 0.000 0.000 0.246 124 T C 1.509 175.838 174.700 -0.618 0.000 1.026 124 T CA 0.015 61.805 62.100 -0.516 0.000 1.081 124 T CB 0.273 68.965 68.868 -0.293 0.000 0.970 124 T HN 0.182 nan 8.240 nan 0.000 0.475 125 E N 1.565 121.170 120.200 -0.991 0.000 2.394 125 E HA -0.160 4.190 4.350 0.000 0.000 0.202 125 E C 2.068 178.481 176.600 -0.312 0.000 1.029 125 E CA 1.192 57.183 56.400 -0.682 0.000 0.855 125 E CB -0.089 29.332 29.700 -0.465 0.000 0.770 125 E HN 0.510 nan 8.360 nan 0.000 0.527 126 V N -0.831 118.961 119.914 -0.204 0.000 2.346 126 V HA -0.174 3.947 4.120 0.000 0.000 0.244 126 V C 2.282 178.313 176.094 -0.106 0.000 1.037 126 V CA 1.384 63.668 62.300 -0.028 0.000 1.029 126 V CB -0.917 30.949 31.823 0.072 0.000 0.663 126 V HN 0.407 nan 8.190 nan 0.000 0.454 127 I N 0.853 121.341 120.570 -0.138 0.000 2.202 127 I HA 0.033 4.203 4.170 0.000 0.000 0.242 127 I C 2.767 178.802 176.117 -0.136 0.000 1.091 127 I CA 1.816 63.059 61.300 -0.096 0.000 1.368 127 I CB -1.231 36.737 38.000 -0.053 0.000 1.058 127 I HN 0.254 nan 8.210 nan 0.000 0.410 128 A N 1.455 124.155 122.820 -0.199 0.000 1.909 128 A HA -0.304 4.016 4.320 0.000 0.000 0.221 128 A C 2.306 179.629 177.584 -0.434 0.000 1.223 128 A CA 2.567 54.427 52.037 -0.295 0.000 0.658 128 A CB -1.423 17.346 19.000 -0.386 0.000 0.831 128 A HN 0.694 nan 8.150 nan 0.000 0.462 129 H N -1.390 117.465 119.070 -0.357 0.000 2.384 129 H HA 0.052 4.608 4.556 0.000 0.000 0.300 129 H C 2.112 177.163 175.328 -0.462 0.000 1.057 129 H CA 1.063 56.773 56.048 -0.563 0.000 1.370 129 H CB -0.594 28.652 29.762 -0.860 0.000 1.417 129 H HN 0.469 nan 8.280 nan 0.000 0.527 130 L N 1.050 122.177 121.223 -0.160 0.000 2.302 130 L HA -0.229 4.111 4.340 0.000 0.000 0.218 130 L C 2.067 178.968 176.870 0.052 0.000 1.100 130 L CA 0.723 55.541 54.840 -0.036 0.000 0.774 130 L CB -0.176 41.871 42.059 -0.019 0.000 0.896 130 L HN 0.023 nan 8.230 nan 0.000 0.439 131 V N -0.103 119.793 119.914 -0.030 0.000 2.255 131 V HA -0.265 3.856 4.120 0.000 0.000 0.243 131 V C 2.099 178.211 176.094 0.030 0.000 1.038 131 V CA 2.000 64.299 62.300 -0.003 0.000 1.008 131 V CB -0.693 31.096 31.823 -0.057 0.000 0.645 131 V HN 0.542 nan 8.190 nan 0.000 0.449 132 N N -0.598 118.082 118.700 -0.033 0.000 2.405 132 N HA -0.260 4.480 4.740 0.000 0.000 0.189 132 N C 1.509 177.178 175.510 0.265 0.000 1.021 132 N CA 1.727 54.814 53.050 0.062 0.000 0.891 132 N CB -0.244 38.260 38.487 0.028 0.000 0.955 132 N HN 0.752 nan 8.380 nan 0.000 0.443 133 W N 1.877 123.223 121.300 0.077 0.000 2.381 133 W HA -0.119 4.542 4.660 0.001 0.000 0.321 133 W C 0.873 177.436 176.519 0.073 0.000 1.196 133 W CA 0.853 58.283 57.345 0.141 0.000 1.304 133 W CB 0.009 29.535 29.460 0.109 0.000 1.166 133 W HN 0.041 nan 8.180 nan 0.000 0.473 134 E N 0.888 121.061 120.200 -0.044 0.000 2.403 134 E HA -0.072 4.278 4.350 0.000 0.000 0.187 134 E C 1.447 177.980 176.600 -0.112 0.000 1.073 134 E CA -0.235 56.048 56.400 -0.194 0.000 0.888 134 E CB 0.188 29.840 29.700 -0.081 0.000 1.035 134 E HN 0.204 nan 8.360 nan 0.000 0.471 135 L N 0.930 122.118 121.223 -0.059 0.000 2.115 135 L HA -0.041 4.299 4.340 0.000 0.000 0.200 135 L C 1.512 178.353 176.870 -0.048 0.000 1.094 135 L CA 1.722 56.538 54.840 -0.039 0.000 0.769 135 L CB 0.012 42.075 42.059 0.006 0.000 0.931 135 L HN -0.214 nan 8.230 nan 0.000 0.455 136 K N -0.089 120.294 120.400 -0.027 0.000 2.519 136 K HA -0.083 4.238 4.320 0.000 0.000 0.196 136 K C 0.870 177.418 176.600 -0.085 0.000 1.041 136 K CA 0.634 56.904 56.287 -0.028 0.000 0.954 136 K CB -0.249 32.252 32.500 0.001 0.000 0.774 136 K HN 0.460 nan 8.250 nan 0.000 0.480 137 Q N 1.013 120.728 119.800 -0.142 0.000 2.412 137 Q HA 0.124 4.465 4.340 0.000 0.000 0.298 137 Q C -0.219 175.712 176.000 -0.116 0.000 0.938 137 Q CA -0.209 55.492 55.803 -0.170 0.000 0.968 137 Q CB 0.329 28.898 28.738 -0.282 0.000 1.187 137 Q HN 0.392 nan 8.270 nan 0.000 0.421 138 G N 0.378 109.130 108.800 -0.079 0.000 2.666 138 G HA2 -0.094 3.866 3.960 0.000 0.000 0.185 138 G HA3 -0.094 3.866 3.960 0.000 0.000 0.185 138 G C -0.088 174.769 174.900 -0.071 0.000 0.483 138 G CA 0.015 45.078 45.100 -0.060 0.000 0.902 138 G HN 0.516 nan 8.290 nan 0.000 0.380 139 G N 1.146 109.901 108.800 -0.075 0.000 2.755 139 G HA2 0.798 4.758 3.960 0.000 0.000 0.297 139 G HA3 0.798 4.758 3.960 0.000 0.000 0.297 139 G C 0.562 175.393 174.900 -0.115 0.000 1.441 139 G CA 0.603 45.650 45.100 -0.089 0.000 0.964 139 G HN 1.348 nan 8.290 nan 0.000 0.540 140 T N -0.223 114.271 114.554 -0.100 0.000 2.809 140 T HA 0.140 4.490 4.350 0.000 0.000 0.260 140 T C 1.477 176.072 174.700 -0.175 0.000 1.039 140 T CA 1.797 63.830 62.100 -0.110 0.000 1.141 140 T CB 0.096 68.938 68.868 -0.043 0.000 0.869 140 T HN 0.702 nan 8.240 nan 0.000 0.437 141 L N -1.811 119.338 121.223 -0.123 0.000 1.457 141 L HA 0.347 4.687 4.340 0.000 0.000 0.147 141 L C 1.825 178.643 176.870 -0.086 0.000 1.318 141 L CA 0.136 54.914 54.840 -0.104 0.000 1.241 141 L CB -0.244 41.783 42.059 -0.052 0.000 2.558 141 L HN 0.063 nan 8.230 nan 0.000 0.487 142 R N 0.345 120.784 120.500 -0.102 0.000 2.115 142 R HA -0.089 4.252 4.340 0.000 0.000 0.226 142 R C 1.202 177.410 176.300 -0.153 0.000 1.100 142 R CA 1.540 57.535 56.100 -0.175 0.000 0.980 142 R CB 0.096 30.206 30.300 -0.317 0.000 0.875 142 R HN 0.222 nan 8.270 nan 0.000 0.445 143 E N -0.033 120.096 120.200 -0.118 0.000 2.515 143 E HA -0.037 4.313 4.350 0.000 0.000 0.201 143 E C 0.445 176.995 176.600 -0.083 0.000 1.071 143 E CA 0.804 57.145 56.400 -0.097 0.000 0.880 143 E CB 0.316 29.966 29.700 -0.083 0.000 0.828 143 E HN 0.481 nan 8.360 nan 0.000 0.540 144 A N -1.362 121.412 122.820 -0.076 0.000 2.508 144 A HA 0.271 4.591 4.320 0.000 0.000 0.250 144 A C 1.306 178.879 177.584 -0.020 0.000 1.208 144 A CA 0.055 52.063 52.037 -0.048 0.000 0.960 144 A CB 0.782 19.750 19.000 -0.054 0.000 1.099 144 A HN 0.143 nan 8.150 nan 0.000 0.542 145 V N -1.240 118.652 119.914 -0.037 0.000 3.159 145 V HA 0.046 4.166 4.120 0.000 0.000 0.234 145 V C 1.896 177.972 176.094 -0.029 0.000 1.313 145 V CA 0.725 63.017 62.300 -0.013 0.000 1.271 145 V CB -0.191 31.627 31.823 -0.008 0.000 1.053 145 V HN 0.391 nan 8.190 nan 0.000 0.476 146 L N 1.364 122.529 121.223 -0.096 0.000 2.230 146 L HA -0.211 4.129 4.340 0.000 0.000 0.217 146 L C 1.916 178.761 176.870 -0.042 0.000 1.090 146 L CA 2.260 57.028 54.840 -0.120 0.000 0.771 146 L CB -0.489 41.458 42.059 -0.188 0.000 0.892 146 L HN 0.315 nan 8.230 nan 0.000 0.438 147 R N -2.041 118.454 120.500 -0.009 0.000 2.535 147 R HA 0.369 4.709 4.340 0.000 0.000 0.323 147 R C 1.325 177.665 176.300 0.066 0.000 0.979 147 R CA 0.521 56.639 56.100 0.029 0.000 1.120 147 R CB 0.216 30.532 30.300 0.027 0.000 1.306 147 R HN 0.281 nan 8.270 nan 0.000 0.540 148 A N 0.735 123.595 122.820 0.066 0.000 2.275 148 A HA 0.147 4.467 4.320 0.000 0.000 0.212 148 A C 1.479 179.119 177.584 0.093 0.000 1.201 148 A CA 0.253 52.343 52.037 0.089 0.000 0.843 148 A CB 0.053 19.103 19.000 0.084 0.000 0.873 148 A HN 0.039 nan 8.150 nan 0.000 0.492 149 I N 0.320 120.949 120.570 0.097 0.000 2.810 149 I HA 0.016 4.186 4.170 0.000 0.000 0.262 149 I C -0.788 175.394 176.117 0.109 0.000 1.131 149 I CA 0.437 61.818 61.300 0.134 0.000 1.453 149 I CB -2.090 35.988 38.000 0.130 0.000 1.161 149 I HN 0.109 nan 8.210 nan 0.000 0.444 150 P HA -0.167 nan 4.420 nan 0.000 0.223 150 P C 0.859 178.196 177.300 0.061 0.000 1.144 150 P CA 1.292 64.433 63.100 0.068 0.000 0.783 150 P CB -0.244 31.491 31.700 0.058 0.000 0.771 151 Q N -0.821 119.015 119.800 0.059 0.000 2.175 151 Q HA 0.347 4.687 4.340 0.000 0.000 0.225 151 Q C -0.233 175.780 176.000 0.021 0.000 0.837 151 Q CA -0.186 55.641 55.803 0.040 0.000 1.032 151 Q CB 0.038 28.799 28.738 0.040 0.000 1.137 151 Q HN 0.200 nan 8.270 nan 0.000 0.483 152 L N 1.056 122.297 121.223 0.031 0.000 2.438 152 L HA 0.626 4.966 4.340 0.000 0.000 0.270 152 L C -0.599 176.286 176.870 0.026 0.000 0.972 152 L CA -0.948 53.884 54.840 -0.012 0.000 0.831 152 L CB 2.207 44.212 42.059 -0.090 0.000 1.273 152 L HN 0.108 nan 8.230 nan 0.000 0.405 153 R N 1.226 121.731 120.500 0.008 0.000 2.720 153 R HA 0.898 5.238 4.340 0.000 0.000 0.272 153 R C -0.049 176.283 176.300 0.052 0.000 0.991 153 R CA -0.549 55.582 56.100 0.052 0.000 1.010 153 R CB 2.038 32.364 30.300 0.042 0.000 1.141 153 R HN 0.862 nan 8.270 nan 0.000 0.494 154 G N -0.118 108.755 108.800 0.122 0.000 2.440 154 G HA2 0.179 4.140 3.960 0.000 0.000 0.684 154 G HA3 0.179 4.140 3.960 0.000 0.000 0.684 154 G C -1.488 173.576 174.900 0.273 0.000 1.309 154 G CA -0.555 44.635 45.100 0.151 0.000 0.931 154 G HN 0.700 nan 8.290 nan 0.000 0.612 155 A N 0.672 123.630 122.820 0.230 0.000 2.302 155 A HA 0.892 5.212 4.320 0.000 0.000 0.295 155 A C -0.207 177.575 177.584 0.329 0.000 1.235 155 A CA 0.802 52.975 52.037 0.227 0.000 0.876 155 A CB -0.116 18.962 19.000 0.130 0.000 1.133 155 A HN 2.285 nan 8.150 nan 0.000 0.533 156 Y N -0.342 120.004 120.300 0.077 0.000 2.895 156 Y HA 0.705 5.255 4.550 0.000 0.000 0.339 156 Y C -0.343 175.598 175.900 0.069 0.000 1.363 156 Y CA -1.217 56.937 58.100 0.090 0.000 1.085 156 Y CB 0.549 39.096 38.460 0.145 0.000 1.500 156 Y HN 0.953 nan 8.280 nan 0.000 0.442 157 G N 1.008 109.737 108.800 -0.118 0.000 2.704 157 G HA2 0.464 4.425 3.960 0.000 0.000 0.279 157 G HA3 0.464 4.425 3.960 0.000 0.000 0.279 157 G C -1.326 173.614 174.900 0.067 0.000 1.510 157 G CA -0.241 44.730 45.100 -0.214 0.000 1.144 157 G HN 0.893 nan 8.290 nan 0.000 0.564 158 T N -0.403 114.209 114.554 0.097 0.000 2.909 158 T HA 0.542 4.893 4.350 0.000 0.000 0.289 158 T C -0.247 174.532 174.700 0.133 0.000 1.005 158 T CA -0.355 61.892 62.100 0.245 0.000 1.084 158 T CB 1.416 70.486 68.868 0.336 0.000 0.975 158 T HN 0.598 nan 8.240 nan 0.000 0.509 159 V N 5.845 125.846 119.914 0.144 0.000 2.554 159 V HA 0.323 4.443 4.120 0.000 0.000 0.258 159 V C -0.130 176.024 176.094 0.101 0.000 0.919 159 V CA -0.673 61.689 62.300 0.103 0.000 0.910 159 V CB 0.112 31.986 31.823 0.085 0.000 1.100 159 V HN 0.854 nan 8.190 nan 0.000 0.491 160 I N 4.276 124.899 120.570 0.089 0.000 2.638 160 I HA 0.509 4.680 4.170 0.000 0.000 0.286 160 I C 0.418 176.568 176.117 0.055 0.000 1.088 160 I CA 0.523 61.861 61.300 0.063 0.000 1.397 160 I CB 1.048 39.076 38.000 0.047 0.000 1.414 160 I HN 0.688 nan 8.210 nan 0.000 0.566 161 M N 2.590 122.219 119.600 0.048 0.000 3.502 161 M HA 0.717 5.197 4.480 0.000 0.000 0.310 161 M C -1.832 174.508 176.300 0.067 0.000 1.458 161 M CA -0.669 54.666 55.300 0.058 0.000 0.782 161 M CB 1.821 34.461 32.600 0.067 0.000 1.942 161 M HN 0.340 nan 8.290 nan 0.000 0.438 162 D N -1.041 119.420 120.400 0.101 0.000 2.798 162 D HA 0.596 5.237 4.640 0.000 0.000 0.308 162 D C -0.626 175.765 176.300 0.152 0.000 1.187 162 D CA -0.576 53.519 54.000 0.158 0.000 1.033 162 D CB 2.184 43.117 40.800 0.223 0.000 1.445 162 D HN 0.601 nan 8.370 nan 0.000 0.550 163 S N -1.368 114.434 115.700 0.170 0.000 2.631 163 S HA 0.109 4.579 4.470 0.000 0.000 0.246 163 S C 1.287 175.878 174.600 -0.016 0.000 1.068 163 S CA -0.019 58.220 58.200 0.066 0.000 0.995 163 S CB 0.290 63.515 63.200 0.043 0.000 0.944 163 S HN 0.256 nan 8.310 nan 0.000 0.529 164 R N 0.532 121.030 120.500 -0.005 0.000 2.210 164 R HA 0.167 4.508 4.340 0.000 0.000 0.203 164 R C -0.127 175.930 176.300 -0.405 0.000 1.010 164 R CA 0.872 56.851 56.100 -0.202 0.000 1.008 164 R CB -0.057 30.128 30.300 -0.193 0.000 0.923 164 R HN 0.326 nan 8.270 nan 0.000 0.469 165 H N -0.537 118.542 119.070 0.015 0.000 2.624 165 H HA 0.188 4.744 4.556 0.000 0.000 0.233 165 H C -2.079 173.265 175.328 0.027 0.000 1.376 165 H CA -1.836 54.225 56.048 0.021 0.000 1.137 165 H CB 0.705 30.483 29.762 0.027 0.000 1.867 165 H HN 0.012 nan 8.280 nan 0.000 0.547 166 P HA -0.103 nan 4.420 nan 0.000 0.229 166 P C 0.779 178.115 177.300 0.061 0.000 1.160 166 P CA 0.849 63.993 63.100 0.075 0.000 0.777 166 P CB 0.406 32.136 31.700 0.050 0.000 0.814 167 D N 0.319 120.753 120.400 0.055 0.000 2.220 167 D HA -0.169 4.471 4.640 0.000 0.000 0.198 167 D C 1.103 177.430 176.300 0.046 0.000 1.001 167 D CA 1.792 55.817 54.000 0.042 0.000 0.875 167 D CB -1.337 39.486 40.800 0.038 0.000 0.921 167 D HN 0.267 nan 8.370 nan 0.000 0.454 168 T N -3.087 111.508 114.554 0.068 0.000 2.898 168 T HA 0.525 4.875 4.350 0.000 0.000 0.283 168 T C -0.005 174.730 174.700 0.059 0.000 1.059 168 T CA -1.031 61.105 62.100 0.060 0.000 0.958 168 T CB 1.598 70.508 68.868 0.069 0.000 1.594 168 T HN 0.108 nan 8.240 nan 0.000 0.598 169 L N 1.532 122.791 121.223 0.060 0.000 3.188 169 L HA 0.290 4.630 4.340 0.000 0.000 0.220 169 L C -0.816 176.095 176.870 0.068 0.000 1.002 169 L CA -0.510 54.367 54.840 0.061 0.000 1.228 169 L CB 0.477 42.569 42.059 0.054 0.000 1.540 169 L HN 0.825 nan 8.230 nan 0.000 0.655 170 L N 2.433 123.698 121.223 0.070 0.000 2.475 170 L HA 0.866 5.206 4.340 0.000 0.000 0.253 170 L C -0.134 176.784 176.870 0.079 0.000 1.198 170 L CA 0.364 55.252 54.840 0.082 0.000 0.814 170 L CB 1.802 43.898 42.059 0.062 0.000 1.134 170 L HN 0.759 nan 8.230 nan 0.000 0.478 171 A N 2.516 125.388 122.820 0.086 0.000 2.560 171 A HA 0.651 4.972 4.320 0.000 0.000 0.300 171 A C -1.326 176.300 177.584 0.070 0.000 1.062 171 A CA -0.035 52.047 52.037 0.075 0.000 0.767 171 A CB 0.525 19.562 19.000 0.062 0.000 1.288 171 A HN 1.206 nan 8.150 nan 0.000 0.396 172 A N 2.469 125.320 122.820 0.052 0.000 2.310 172 A HA 0.729 5.049 4.320 0.000 0.000 0.304 172 A C 0.148 177.675 177.584 -0.095 0.000 1.231 172 A CA -0.533 51.516 52.037 0.020 0.000 0.799 172 A CB 0.561 19.589 19.000 0.048 0.000 1.162 172 A HN 0.975 nan 8.150 nan 0.000 0.486 173 R N 1.476 121.919 120.500 -0.096 0.000 2.641 173 R HA 0.432 4.772 4.340 0.000 0.000 0.269 173 R C -0.239 175.898 176.300 -0.271 0.000 1.074 173 R CA 0.545 56.539 56.100 -0.176 0.000 1.133 173 R CB 0.613 30.874 30.300 -0.064 0.000 1.029 173 R HN 0.652 nan 8.270 nan 0.000 0.488 174 S N 1.410 116.865 115.700 -0.408 0.000 2.539 174 S HA 0.317 4.787 4.470 0.000 0.000 0.176 174 S C -0.217 174.269 174.600 -0.190 0.000 0.829 174 S CA 0.147 58.148 58.200 -0.332 0.000 0.990 174 S CB 0.023 62.941 63.200 -0.470 0.000 1.717 174 S HN 1.018 nan 8.310 nan 0.000 0.519 175 G N 1.400 110.141 108.800 -0.098 0.000 3.957 175 G HA2 0.024 3.984 3.960 0.000 0.000 0.131 175 G HA3 0.024 3.984 3.960 0.000 0.000 0.131 175 G C 0.068 174.958 174.900 -0.017 0.000 2.236 175 G CA 0.283 45.376 45.100 -0.012 0.000 1.096 175 G HN 1.202 nan 8.290 nan 0.000 0.322 176 S N 3.090 118.772 115.700 -0.029 0.000 2.601 176 S HA 0.639 5.109 4.470 0.000 0.000 0.271 176 S C -2.526 172.069 174.600 -0.008 0.000 1.305 176 S CA -0.711 57.476 58.200 -0.021 0.000 1.022 176 S CB 1.337 64.515 63.200 -0.037 0.000 0.940 176 S HN 0.240 nan 8.310 nan 0.000 0.525 177 P HA 0.197 nan 4.420 nan 0.000 0.264 177 P C -1.013 176.368 177.300 0.134 0.000 1.183 177 P CA 0.154 63.329 63.100 0.125 0.000 0.763 177 P CB 0.161 31.960 31.700 0.165 0.000 0.807 178 L N 3.740 125.079 121.223 0.193 0.000 2.482 178 L HA 0.519 4.860 4.340 0.000 0.000 0.269 178 L C -1.194 175.673 176.870 -0.005 0.000 0.967 178 L CA -0.899 53.975 54.840 0.057 0.000 0.851 178 L CB 2.034 44.105 42.059 0.019 0.000 1.242 178 L HN 0.095 nan 8.230 nan 0.000 0.404 179 V N 6.541 126.305 119.914 -0.249 0.000 2.483 179 V HA 0.530 4.651 4.120 0.000 0.000 0.297 179 V C -0.323 175.657 176.094 -0.190 0.000 1.027 179 V CA -0.350 61.661 62.300 -0.482 0.000 0.855 179 V CB 1.903 33.026 31.823 -1.168 0.000 0.995 179 V HN 0.566 nan 8.190 nan 0.000 0.424 180 I N 7.182 127.713 120.570 -0.066 0.000 2.325 180 I HA 0.505 4.675 4.170 0.000 0.000 0.291 180 I C 1.261 177.443 176.117 0.108 0.000 1.019 180 I CA -0.061 61.257 61.300 0.030 0.000 1.302 180 I CB 1.116 39.128 38.000 0.021 0.000 1.401 180 I HN 0.673 nan 8.210 nan 0.000 0.485 181 G N 6.526 115.440 108.800 0.190 0.000 2.683 181 G HA2 0.593 4.553 3.960 0.000 0.000 0.260 181 G HA3 0.593 4.553 3.960 0.000 0.000 0.260 181 G C -0.522 174.432 174.900 0.091 0.000 1.238 181 G CA -0.342 44.895 45.100 0.229 0.000 0.934 181 G HN 0.525 nan 8.290 nan 0.000 0.534 182 L N -1.581 119.659 121.223 0.029 0.000 2.671 182 L HA 0.667 5.007 4.340 0.000 0.000 0.259 182 L C 0.652 177.494 176.870 -0.047 0.000 1.021 182 L CA -0.208 54.605 54.840 -0.045 0.000 0.871 182 L CB 2.087 44.103 42.059 -0.072 0.000 1.472 182 L HN 0.914 nan 8.230 nan 0.000 0.410 183 G N 0.571 109.327 108.800 -0.073 0.000 3.353 183 G HA2 0.304 4.264 3.960 0.000 0.000 0.127 183 G HA3 0.304 4.264 3.960 0.000 0.000 0.127 183 G C -1.232 173.630 174.900 -0.062 0.000 1.167 183 G CA 0.059 45.125 45.100 -0.057 0.000 1.459 183 G HN 0.279 nan 8.290 nan 0.000 0.702 184 M N 1.670 121.224 119.600 -0.076 0.000 2.380 184 M HA 0.434 4.915 4.480 0.000 0.000 0.202 184 M C 0.519 176.770 176.300 -0.082 0.000 0.975 184 M CA 0.333 55.594 55.300 -0.065 0.000 0.971 184 M CB 0.579 33.153 32.600 -0.043 0.000 2.685 184 M HN 1.822 nan 8.290 nan 0.000 0.431 185 G N 3.908 112.656 108.800 -0.088 0.000 2.361 185 G HA2 -0.256 3.704 3.960 0.000 0.000 0.294 185 G HA3 -0.256 3.704 3.960 0.000 0.000 0.294 185 G C -0.162 174.660 174.900 -0.129 0.000 1.004 185 G CA 1.327 46.372 45.100 -0.091 0.000 0.870 185 G HN 0.935 nan 8.290 nan 0.000 0.510 186 E N -1.127 118.950 120.200 -0.205 0.000 4.071 186 E HA 0.213 4.563 4.350 0.000 0.000 0.230 186 E C 0.106 176.288 176.600 -0.696 0.000 1.138 186 E CA -0.606 55.590 56.400 -0.340 0.000 1.388 186 E CB -0.645 28.913 29.700 -0.235 0.000 1.220 186 E HN 0.418 nan 8.360 nan 0.000 0.404 187 N N 0.529 118.905 118.700 -0.540 0.000 2.250 187 N HA 0.350 5.090 4.740 0.000 0.000 0.256 187 N C -0.581 174.372 175.510 -0.929 0.000 1.302 187 N CA 0.476 53.200 53.050 -0.543 0.000 0.894 187 N CB 0.291 38.644 38.487 -0.224 0.000 1.067 187 N HN 0.058 nan 8.380 nan 0.000 0.487 188 F N -0.980 118.969 119.950 -0.002 0.000 3.052 188 F HA 0.562 5.090 4.527 0.000 0.000 0.323 188 F C -0.859 174.943 175.800 0.003 0.000 1.178 188 F CA -0.711 57.293 58.000 0.006 0.000 0.892 188 F CB 1.037 40.045 39.000 0.013 0.000 1.416 188 F HN 0.172 nan 8.300 nan 0.000 0.488 189 I N 0.727 121.435 120.570 0.230 0.000 2.715 189 I HA 0.735 4.906 4.170 0.000 0.000 0.288 189 I C -1.631 174.505 176.117 0.032 0.000 1.371 189 I CA -0.051 61.307 61.300 0.095 0.000 1.056 189 I CB 1.268 39.308 38.000 0.066 0.000 1.339 189 I HN 0.861 nan 8.210 nan 0.000 0.425 190 A N 3.865 126.667 122.820 -0.030 0.000 2.733 190 A HA 0.786 5.106 4.320 0.000 0.000 0.299 190 A C 0.018 177.532 177.584 -0.118 0.000 1.252 190 A CA 0.294 52.281 52.037 -0.084 0.000 0.677 190 A CB 1.077 20.014 19.000 -0.105 0.000 1.361 190 A HN 0.764 nan 8.150 nan 0.000 0.528 191 S N -1.100 114.520 115.700 -0.134 0.000 2.524 191 S HA 0.344 4.815 4.470 0.000 0.000 0.222 191 S C -0.186 174.365 174.600 -0.081 0.000 1.040 191 S CA 0.748 58.887 58.200 -0.101 0.000 0.915 191 S CB 0.018 63.150 63.200 -0.113 0.000 0.831 191 S HN 0.766 nan 8.310 nan 0.000 0.492 192 D N 0.852 121.171 120.400 -0.135 0.000 2.964 192 D HA 0.246 4.887 4.640 0.000 0.000 0.234 192 D C 0.997 177.139 176.300 -0.262 0.000 1.223 192 D CA -0.577 53.343 54.000 -0.132 0.000 0.889 192 D CB 1.499 42.280 40.800 -0.031 0.000 1.609 192 D HN 0.066 nan 8.370 nan 0.000 0.523 193 Q N 2.487 122.016 119.800 -0.451 0.000 2.197 193 Q HA -0.260 4.081 4.340 0.000 0.000 0.211 193 Q C 1.037 176.868 176.000 -0.280 0.000 0.993 193 Q CA 1.361 56.744 55.803 -0.699 0.000 0.883 193 Q CB -0.317 27.845 28.738 -0.959 0.000 0.916 193 Q HN 0.480 nan 8.270 nan 0.000 0.418 194 L N 1.183 122.311 121.223 -0.159 0.000 2.127 194 L HA -0.160 4.180 4.340 0.000 0.000 0.211 194 L C 2.614 179.448 176.870 -0.060 0.000 1.089 194 L CA 1.746 56.544 54.840 -0.070 0.000 0.757 194 L CB -1.606 40.443 42.059 -0.017 0.000 0.899 194 L HN 0.421 nan 8.230 nan 0.000 0.434 195 A N 0.605 123.371 122.820 -0.091 0.000 1.848 195 A HA -0.148 4.172 4.320 0.000 0.000 0.217 195 A C 1.117 178.640 177.584 -0.102 0.000 1.220 195 A CA 1.789 53.768 52.037 -0.097 0.000 0.645 195 A CB -1.131 17.796 19.000 -0.121 0.000 0.842 195 A HN 0.357 nan 8.150 nan 0.000 0.451 196 L N -1.539 119.623 121.223 -0.102 0.000 2.475 196 L HA 0.527 4.867 4.340 0.000 0.000 0.253 196 L C 0.344 177.211 176.870 -0.004 0.000 1.137 196 L CA 0.243 54.999 54.840 -0.140 0.000 1.058 196 L CB 0.282 42.244 42.059 -0.162 0.000 1.382 196 L HN 0.299 nan 8.230 nan 0.000 0.416 197 L N 0.971 122.182 121.223 -0.021 0.000 2.586 197 L HA 0.260 4.600 4.340 0.000 0.000 0.204 197 L C -0.568 176.306 176.870 0.006 0.000 1.053 197 L CA 0.221 55.100 54.840 0.065 0.000 0.856 197 L CB -0.158 41.933 42.059 0.053 0.000 1.192 197 L HN 0.417 nan 8.230 nan 0.000 0.484 198 P HA -0.047 nan 4.420 nan 0.000 0.242 198 P C 0.961 178.235 177.300 -0.042 0.000 1.197 198 P CA 0.867 63.947 63.100 -0.034 0.000 0.765 198 P CB 0.014 31.692 31.700 -0.038 0.000 0.936 199 V N -5.639 114.233 119.914 -0.071 0.000 3.485 199 V HA 0.373 4.493 4.120 0.000 0.000 0.280 199 V C 0.340 176.459 176.094 0.040 0.000 1.495 199 V CA 0.729 63.007 62.300 -0.036 0.000 1.018 199 V CB 0.452 32.191 31.823 -0.140 0.000 0.818 199 V HN 0.151 nan 8.190 nan 0.000 0.436 200 T N -0.935 113.614 114.554 -0.009 0.000 2.840 200 T HA 0.574 4.924 4.350 0.000 0.000 0.317 200 T C -0.248 174.331 174.700 -0.202 0.000 1.401 200 T CA -0.367 61.712 62.100 -0.035 0.000 1.028 200 T CB 2.384 71.310 68.868 0.097 0.000 1.317 200 T HN 0.072 nan 8.240 nan 0.000 0.495 201 R N 0.673 120.918 120.500 -0.424 0.000 2.444 201 R HA 0.321 4.661 4.340 0.000 0.000 0.201 201 R C 0.544 176.028 176.300 -1.361 0.000 0.861 201 R CA -0.064 55.595 56.100 -0.735 0.000 1.034 201 R CB -0.074 30.064 30.300 -0.270 0.000 1.347 201 R HN 0.595 nan 8.270 nan 0.000 0.659 202 R N 1.098 121.160 120.500 -0.730 0.000 2.480 202 R HA 0.082 4.422 4.340 0.000 0.000 0.303 202 R C -0.821 175.094 176.300 -0.641 0.000 0.985 202 R CA 0.616 56.406 56.100 -0.517 0.000 1.051 202 R CB 0.083 30.239 30.300 -0.239 0.000 0.935 202 R HN -0.206 nan 8.270 nan 0.000 0.410 203 F N 3.350 123.283 119.950 -0.029 0.000 2.546 203 F HA 0.470 4.998 4.527 0.000 0.000 0.320 203 F C 0.381 176.145 175.800 -0.061 0.000 1.076 203 F CA -0.999 56.950 58.000 -0.085 0.000 0.928 203 F CB 1.370 40.280 39.000 -0.150 0.000 1.189 203 F HN 0.251 nan 8.300 nan 0.000 0.465 204 I N 3.395 124.026 120.570 0.101 0.000 2.623 204 I HA 0.193 4.364 4.170 0.000 0.000 0.275 204 I C -0.765 175.387 176.117 0.058 0.000 1.108 204 I CA -0.385 60.961 61.300 0.077 0.000 1.120 204 I CB 0.377 38.401 38.000 0.041 0.000 1.249 204 I HN 0.353 nan 8.210 nan 0.000 0.500 205 F N 4.795 124.787 119.950 0.070 0.000 2.586 205 F HA 0.197 4.724 4.527 0.000 0.000 0.344 205 F C 0.619 176.430 175.800 0.018 0.000 1.188 205 F CA 0.736 58.754 58.000 0.030 0.000 1.359 205 F CB 0.517 39.526 39.000 0.014 0.000 1.129 205 F HN 0.174 nan 8.300 nan 0.000 0.609 206 L N 1.007 122.391 121.223 0.269 0.000 2.341 206 L HA 0.544 4.884 4.340 0.000 0.000 0.267 206 L C -0.001 176.934 176.870 0.109 0.000 1.022 206 L CA -1.087 53.836 54.840 0.138 0.000 0.844 206 L CB 0.993 43.105 42.059 0.088 0.000 1.436 206 L HN 0.399 nan 8.230 nan 0.000 0.483 207 E N -0.198 120.040 120.200 0.063 0.000 2.586 207 E HA 0.285 4.636 4.350 0.000 0.000 0.232 207 E C -1.208 175.403 176.600 0.019 0.000 0.854 207 E CA -0.759 55.663 56.400 0.036 0.000 0.938 207 E CB 0.748 30.467 29.700 0.032 0.000 1.518 207 E HN 0.381 nan 8.360 nan 0.000 0.400 208 E N -0.247 119.961 120.200 0.013 0.000 2.289 208 E HA 0.358 4.708 4.350 0.000 0.000 0.278 208 E C 0.234 176.844 176.600 0.015 0.000 1.032 208 E CA 0.597 57.001 56.400 0.006 0.000 0.854 208 E CB 0.407 30.114 29.700 0.012 0.000 1.046 208 E HN 0.630 nan 8.360 nan 0.000 0.409 209 G N 4.623 113.425 108.800 0.003 0.000 2.273 209 G HA2 -0.270 3.690 3.960 0.000 0.000 0.280 209 G HA3 -0.270 3.690 3.960 0.000 0.000 0.280 209 G C -0.323 174.600 174.900 0.038 0.000 1.047 209 G CA 0.415 45.529 45.100 0.023 0.000 0.869 209 G HN 0.644 nan 8.290 nan 0.000 0.502 210 D N 0.330 120.747 120.400 0.027 0.000 2.347 210 D HA 0.448 5.088 4.640 0.000 0.000 0.235 210 D C 1.003 177.349 176.300 0.077 0.000 1.149 210 D CA -0.310 53.725 54.000 0.058 0.000 0.850 210 D CB 0.404 41.233 40.800 0.049 0.000 1.061 210 D HN 0.349 nan 8.370 nan 0.000 0.487 211 I N 1.465 122.121 120.570 0.143 0.000 2.783 211 I HA 0.633 4.803 4.170 0.000 0.000 0.312 211 I C 0.173 176.491 176.117 0.335 0.000 0.988 211 I CA -0.954 60.467 61.300 0.203 0.000 1.182 211 I CB 1.772 39.878 38.000 0.176 0.000 1.368 211 I HN 0.398 nan 8.210 nan 0.000 0.511 212 A N 3.048 126.085 122.820 0.361 0.000 2.511 212 A HA 0.318 4.638 4.320 0.000 0.000 0.292 212 A C -0.983 176.780 177.584 0.298 0.000 1.045 212 A CA -0.565 51.641 52.037 0.282 0.000 0.870 212 A CB 1.081 20.143 19.000 0.104 0.000 1.361 212 A HN 0.759 nan 8.150 nan 0.000 0.396 213 E N 2.145 122.584 120.200 0.398 0.000 2.081 213 E HA 0.491 4.841 4.350 0.000 0.000 0.281 213 E C -1.196 175.466 176.600 0.104 0.000 0.986 213 E CA -0.478 56.082 56.400 0.267 0.000 0.796 213 E CB 0.510 30.430 29.700 0.368 0.000 1.085 213 E HN 0.473 nan 8.360 nan 0.000 0.398 214 I N 4.689 125.303 120.570 0.072 0.000 2.347 214 I HA 0.073 4.244 4.170 0.000 0.000 0.283 214 I C 0.439 176.564 176.117 0.014 0.000 1.058 214 I CA -0.125 61.190 61.300 0.025 0.000 1.202 214 I CB 1.205 39.219 38.000 0.023 0.000 1.386 214 I HN 0.374 nan 8.210 nan 0.000 0.475 215 T N 2.360 116.915 114.554 0.002 0.000 2.918 215 T HA 0.374 4.725 4.350 0.000 0.000 0.283 215 T C 1.562 176.241 174.700 -0.035 0.000 1.001 215 T CA -0.701 61.397 62.100 -0.003 0.000 1.041 215 T CB 1.026 69.898 68.868 0.007 0.000 1.028 215 T HN 0.692 nan 8.240 nan 0.000 0.511 216 R N 1.529 122.007 120.500 -0.037 0.000 2.196 216 R HA -0.282 4.059 4.340 0.000 0.000 0.259 216 R C 1.911 178.163 176.300 -0.080 0.000 1.154 216 R CA 1.883 57.945 56.100 -0.064 0.000 0.976 216 R CB -0.452 29.822 30.300 -0.044 0.000 0.888 216 R HN 0.616 nan 8.270 nan 0.000 0.453 217 R N 0.697 121.163 120.500 -0.057 0.000 2.125 217 R HA 0.132 4.472 4.340 0.000 0.000 0.195 217 R C 0.671 176.939 176.300 -0.053 0.000 1.138 217 R CA 0.703 56.769 56.100 -0.058 0.000 1.123 217 R CB 0.390 30.664 30.300 -0.042 0.000 1.049 217 R HN 0.333 nan 8.270 nan 0.000 0.503 218 S N -0.295 115.382 115.700 -0.039 0.000 2.614 218 S HA 0.324 4.794 4.470 0.000 0.000 0.265 218 S C 0.170 174.744 174.600 -0.043 0.000 1.303 218 S CA -0.541 57.635 58.200 -0.039 0.000 1.000 218 S CB 1.685 64.869 63.200 -0.027 0.000 0.935 218 S HN -0.028 nan 8.310 nan 0.000 0.551 219 V N 2.197 122.076 119.914 -0.059 0.000 2.939 219 V HA 0.248 4.369 4.120 0.000 0.000 0.320 219 V C -1.107 174.911 176.094 -0.127 0.000 1.101 219 V CA -0.793 61.466 62.300 -0.069 0.000 1.345 219 V CB -0.078 31.708 31.823 -0.061 0.000 1.079 219 V HN 0.880 nan 8.190 nan 0.000 0.549 220 N N 2.379 120.975 118.700 -0.174 0.000 2.405 220 N HA 0.458 5.199 4.740 0.000 0.000 0.260 220 N C -0.419 174.664 175.510 -0.712 0.000 1.152 220 N CA 0.153 52.986 53.050 -0.362 0.000 0.948 220 N CB 0.802 39.102 38.487 -0.313 0.000 1.111 220 N HN 0.501 nan 8.380 nan 0.000 0.485 221 I N 2.709 122.934 120.570 -0.574 0.000 2.488 221 I HA 0.420 4.591 4.170 0.000 0.000 0.299 221 I C -0.407 175.323 176.117 -0.645 0.000 0.984 221 I CA -0.491 60.508 61.300 -0.503 0.000 1.250 221 I CB 0.566 38.462 38.000 -0.174 0.000 1.389 221 I HN 0.292 nan 8.210 nan 0.000 0.488 222 F N 2.324 122.284 119.950 0.016 0.000 2.640 222 F HA 0.473 5.000 4.527 0.000 0.000 0.324 222 F C 0.286 176.097 175.800 0.019 0.000 1.077 222 F CA -0.988 57.022 58.000 0.017 0.000 0.965 222 F CB 0.607 39.617 39.000 0.017 0.000 1.351 222 F HN 0.447 nan 8.300 nan 0.000 0.487 223 D N 0.737 121.274 120.400 0.228 0.000 3.161 223 D HA 0.212 4.852 4.640 0.000 0.000 0.224 223 D C 0.697 177.061 176.300 0.106 0.000 1.180 223 D CA 0.031 54.109 54.000 0.131 0.000 1.207 223 D CB -0.098 40.755 40.800 0.090 0.000 1.008 223 D HN 0.510 nan 8.370 nan 0.000 0.316 224 K N -0.638 119.808 120.400 0.078 0.000 2.367 224 K HA 0.128 4.448 4.320 0.000 0.000 0.198 224 K C 1.362 177.992 176.600 0.050 0.000 1.132 224 K CA 0.811 57.134 56.287 0.060 0.000 0.941 224 K CB -0.744 31.788 32.500 0.053 0.000 1.052 224 K HN 0.305 nan 8.250 nan 0.000 0.507 225 T N -1.446 113.139 114.554 0.051 0.000 3.332 225 T HA 0.401 4.752 4.350 0.000 0.000 0.246 225 T C 1.260 175.984 174.700 0.040 0.000 0.943 225 T CA -0.213 61.912 62.100 0.041 0.000 0.922 225 T CB -0.210 68.682 68.868 0.040 0.000 1.086 225 T HN 0.504 nan 8.240 nan 0.000 0.590 226 G N 0.967 109.789 108.800 0.036 0.000 2.228 226 G HA2 -0.246 3.714 3.960 0.000 0.000 0.270 226 G HA3 -0.246 3.714 3.960 0.000 0.000 0.270 226 G C 0.748 175.694 174.900 0.076 0.000 0.976 226 G CA 0.187 45.299 45.100 0.020 0.000 0.636 226 G HN 1.125 nan 8.290 nan 0.000 0.542 227 A N -0.338 122.538 122.820 0.094 0.000 2.238 227 A HA 0.613 4.933 4.320 0.000 0.000 0.276 227 A C 0.703 178.403 177.584 0.194 0.000 1.464 227 A CA 1.438 53.543 52.037 0.113 0.000 0.835 227 A CB 0.158 19.205 19.000 0.079 0.000 1.277 227 A HN 1.385 nan 8.150 nan 0.000 0.534 228 E N -2.447 117.836 120.200 0.138 0.000 2.400 228 E HA 0.482 4.832 4.350 0.000 0.000 0.285 228 E C -1.338 175.273 176.600 0.019 0.000 1.005 228 E CA -0.313 56.147 56.400 0.101 0.000 0.816 228 E CB 1.681 31.434 29.700 0.088 0.000 1.220 228 E HN 1.063 nan 8.360 nan 0.000 0.426 229 V N -0.372 119.527 119.914 -0.025 0.000 3.087 229 V HA 0.753 4.873 4.120 0.000 0.000 0.312 229 V C -1.266 174.794 176.094 -0.057 0.000 1.482 229 V CA -0.979 61.306 62.300 -0.026 0.000 1.015 229 V CB 1.797 33.622 31.823 0.002 0.000 1.055 229 V HN 0.557 nan 8.190 nan 0.000 0.478 230 K N 0.158 120.538 120.400 -0.033 0.000 2.466 230 K HA 0.736 5.057 4.320 0.000 0.000 0.260 230 K C -1.517 175.078 176.600 -0.008 0.000 1.011 230 K CA -0.746 55.520 56.287 -0.035 0.000 0.871 230 K CB 2.243 34.721 32.500 -0.036 0.000 1.404 230 K HN 0.766 nan 8.250 nan 0.000 0.450 231 R N 1.943 122.442 120.500 -0.002 0.000 2.514 231 R HA 0.181 4.521 4.340 0.000 0.000 0.296 231 R C -0.186 176.128 176.300 0.023 0.000 1.012 231 R CA -0.793 55.320 56.100 0.023 0.000 0.897 231 R CB 1.324 31.649 30.300 0.042 0.000 1.184 231 R HN 0.491 nan 8.270 nan 0.000 0.440 232 Q N 0.554 120.371 119.800 0.028 0.000 2.283 232 Q HA 0.076 4.416 4.340 0.000 0.000 0.223 232 Q C -0.270 175.751 176.000 0.034 0.000 0.918 232 Q CA 0.093 55.909 55.803 0.022 0.000 0.952 232 Q CB -0.759 27.990 28.738 0.019 0.000 1.030 232 Q HN 0.728 nan 8.270 nan 0.000 0.452 233 D N -0.643 119.786 120.400 0.049 0.000 4.100 233 D HA -0.279 4.361 4.640 0.000 0.000 0.287 233 D C -0.129 176.223 176.300 0.087 0.000 2.266 233 D CA 1.311 55.352 54.000 0.069 0.000 1.075 233 D CB -0.659 40.157 40.800 0.026 0.000 1.032 233 D HN 0.504 nan 8.370 nan 0.000 1.209 234 I N -4.918 115.711 120.570 0.099 0.000 3.093 234 I HA 0.756 4.926 4.170 0.000 0.000 0.308 234 I C -0.969 175.197 176.117 0.082 0.000 1.303 234 I CA -0.846 60.520 61.300 0.110 0.000 0.975 234 I CB 2.430 40.535 38.000 0.176 0.000 1.286 234 I HN 0.639 nan 8.210 nan 0.000 0.459 235 E N 1.665 121.911 120.200 0.076 0.000 3.586 235 E HA 0.312 4.662 4.350 0.000 0.000 0.175 235 E C -0.750 175.893 176.600 0.072 0.000 0.980 235 E CA -0.014 56.419 56.400 0.055 0.000 1.391 235 E CB 0.152 29.863 29.700 0.018 0.000 1.101 235 E HN 0.778 nan 8.360 nan 0.000 0.440 236 S N 0.017 115.778 115.700 0.100 0.000 2.608 236 S HA 0.171 4.642 4.470 0.000 0.000 0.261 236 S C 0.497 175.155 174.600 0.096 0.000 1.314 236 S CA -0.453 57.801 58.200 0.089 0.000 0.992 236 S CB 0.399 63.654 63.200 0.093 0.000 0.935 236 S HN 0.311 nan 8.310 nan 0.000 0.564 237 N N 2.887 121.636 118.700 0.082 0.000 3.091 237 N HA 0.112 4.853 4.740 0.000 0.000 0.301 237 N C -0.427 175.147 175.510 0.106 0.000 1.325 237 N CA 0.031 53.134 53.050 0.089 0.000 1.143 237 N CB -0.252 38.278 38.487 0.072 0.000 1.450 237 N HN 0.416 nan 8.380 nan 0.000 0.542 238 L N -0.162 121.131 121.223 0.117 0.000 2.688 238 L HA 0.172 4.512 4.340 0.000 0.000 0.234 238 L C 0.606 177.552 176.870 0.125 0.000 1.192 238 L CA 0.135 55.046 54.840 0.118 0.000 0.984 238 L CB -0.733 41.392 42.059 0.110 0.000 1.232 238 L HN 0.140 nan 8.230 nan 0.000 0.465 239 Q N -0.417 119.464 119.800 0.136 0.000 2.313 239 Q HA 0.176 4.516 4.340 0.000 0.000 0.255 239 Q C -0.755 175.306 176.000 0.102 0.000 0.944 239 Q CA -0.702 55.147 55.803 0.076 0.000 0.881 239 Q CB 0.490 29.250 28.738 0.037 0.000 1.375 239 Q HN 0.295 nan 8.270 nan 0.000 0.422 240 Y N 0.458 120.779 120.300 0.036 0.000 2.382 240 Y HA 0.484 5.034 4.550 0.000 0.000 0.292 240 Y C 0.354 176.271 175.900 0.028 0.000 1.151 240 Y CA 0.543 58.661 58.100 0.030 0.000 1.198 240 Y CB 0.409 38.884 38.460 0.026 0.000 1.195 240 Y HN 0.438 nan 8.280 nan 0.000 0.530 241 D N 0.930 120.861 120.400 -0.782 0.000 2.895 241 D HA 0.457 5.097 4.640 0.000 0.000 0.350 241 D C 0.797 176.801 176.300 -0.492 0.000 1.389 241 D CA 0.608 54.326 54.000 -0.470 0.000 0.812 241 D CB 0.857 41.475 40.800 -0.304 0.000 1.164 241 D HN 0.473 nan 8.370 nan 0.000 0.455 242 A N 0.454 123.041 122.820 -0.389 0.000 5.476 242 A HA -0.214 4.106 4.320 0.000 0.000 0.327 242 A C 1.341 178.784 177.584 -0.235 0.000 1.778 242 A CA 1.324 53.226 52.037 -0.225 0.000 0.721 242 A CB -1.301 17.636 19.000 -0.105 0.000 1.388 242 A HN 0.489 nan 8.150 nan 0.000 0.397 243 G N -0.431 108.308 108.800 -0.102 0.000 4.331 243 G HA2 0.465 4.425 3.960 0.000 0.000 0.299 243 G HA3 0.465 4.425 3.960 0.000 0.000 0.299 243 G C -0.395 174.572 174.900 0.112 0.000 1.158 243 G CA 1.199 46.282 45.100 -0.029 0.000 0.916 243 G HN 0.956 nan 8.290 nan 0.000 0.553 244 D N -0.309 120.119 120.400 0.047 0.000 2.229 244 D HA 0.430 5.070 4.640 0.000 0.000 0.249 244 D C 1.463 177.796 176.300 0.054 0.000 1.027 244 D CA -0.533 53.505 54.000 0.063 0.000 0.923 244 D CB 1.445 42.233 40.800 -0.019 0.000 1.174 244 D HN -0.130 nan 8.370 nan 0.000 0.443 245 K N 1.386 121.706 120.400 -0.133 0.000 1.978 245 K HA 0.242 4.562 4.320 0.000 0.000 0.214 245 K C 1.082 177.656 176.600 -0.045 0.000 1.049 245 K CA 1.260 57.377 56.287 -0.284 0.000 0.939 245 K CB -0.617 31.575 32.500 -0.513 0.000 0.721 245 K HN 0.688 nan 8.250 nan 0.000 0.441 246 G N -0.617 108.144 108.800 -0.064 0.000 2.396 246 G HA2 -0.190 3.771 3.960 0.000 0.000 0.254 246 G HA3 -0.190 3.771 3.960 0.000 0.000 0.254 246 G C 0.554 175.389 174.900 -0.109 0.000 1.248 246 G CA -0.332 44.741 45.100 -0.045 0.000 1.033 246 G HN 0.220 nan 8.290 nan 0.000 0.502 247 I N -1.136 119.309 120.570 -0.208 0.000 2.916 247 I HA 0.222 4.392 4.170 0.000 0.000 0.267 247 I C 1.299 177.240 176.117 -0.293 0.000 1.263 247 I CA 0.383 61.519 61.300 -0.274 0.000 1.471 247 I CB -0.514 37.265 38.000 -0.368 0.000 1.089 247 I HN 0.300 nan 8.210 nan 0.000 0.468 248 Y N 1.003 121.240 120.300 -0.105 0.000 2.286 248 Y HA 0.284 4.835 4.550 0.000 0.000 0.347 248 Y C 1.977 177.796 175.900 -0.136 0.000 1.351 248 Y CA -0.536 57.488 58.100 -0.127 0.000 1.640 248 Y CB 0.186 38.575 38.460 -0.118 0.000 1.560 248 Y HN -0.173 nan 8.280 nan 0.000 0.574 249 R N -0.921 119.632 120.500 0.090 0.000 2.087 249 R HA 0.075 4.415 4.340 0.000 0.000 0.216 249 R C -0.458 175.701 176.300 -0.236 0.000 1.114 249 R CA 0.640 56.689 56.100 -0.084 0.000 1.002 249 R CB 0.223 30.523 30.300 -0.000 0.000 0.903 249 R HN 0.628 nan 8.270 nan 0.000 0.445 250 H N -1.469 117.627 119.070 0.044 0.000 2.690 250 H HA 0.101 4.657 4.556 0.000 0.000 0.368 250 H C -0.005 175.322 175.328 -0.002 0.000 1.150 250 H CA -0.646 55.417 56.048 0.024 0.000 1.174 250 H CB 1.475 31.349 29.762 0.187 0.000 1.684 250 H HN 0.023 nan 8.280 nan 0.000 0.538 251 Y N 0.662 121.051 120.300 0.149 0.000 2.114 251 Y HA -0.273 4.277 4.550 0.000 0.000 0.282 251 Y C 2.865 178.769 175.900 0.007 0.000 1.165 251 Y CA 1.548 59.682 58.100 0.056 0.000 1.148 251 Y CB -0.123 38.346 38.460 0.017 0.000 0.972 251 Y HN 0.579 nan 8.280 nan 0.000 0.504 252 M N -0.245 119.464 119.600 0.182 0.000 2.065 252 M HA -0.346 4.134 4.480 0.000 0.000 0.259 252 M C 2.453 178.698 176.300 -0.092 0.000 1.069 252 M CA 1.989 57.312 55.300 0.039 0.000 1.110 252 M CB -0.339 32.287 32.600 0.044 0.000 1.328 252 M HN 0.350 nan 8.290 nan 0.000 0.405 253 Q N 0.388 120.077 119.800 -0.184 0.000 2.133 253 Q HA -0.305 4.035 4.340 0.000 0.000 0.208 253 Q C 1.943 177.687 176.000 -0.427 0.000 0.991 253 Q CA 2.353 57.892 55.803 -0.439 0.000 0.867 253 Q CB -0.181 28.275 28.738 -0.470 0.000 0.911 253 Q HN 0.458 nan 8.270 nan 0.000 0.417 254 K N 0.331 120.530 120.400 -0.334 0.000 1.969 254 K HA -0.215 4.105 4.320 0.000 0.000 0.216 254 K C 1.746 178.277 176.600 -0.115 0.000 1.048 254 K CA 1.922 58.052 56.287 -0.263 0.000 0.948 254 K CB -0.163 32.419 32.500 0.137 0.000 0.726 254 K HN 0.286 nan 8.250 nan 0.000 0.442 255 E N 0.401 120.583 120.200 -0.029 0.000 2.339 255 E HA -0.213 4.137 4.350 0.000 0.000 0.201 255 E C 1.883 178.446 176.600 -0.062 0.000 1.015 255 E CA 1.053 57.443 56.400 -0.017 0.000 0.841 255 E CB -0.103 29.593 29.700 -0.006 0.000 0.754 255 E HN 0.416 nan 8.360 nan 0.000 0.508 256 I N -0.596 119.898 120.570 -0.126 0.000 2.883 256 I HA -0.180 3.990 4.170 0.000 0.000 0.230 256 I C 1.610 177.625 176.117 -0.170 0.000 1.052 256 I CA 0.446 61.633 61.300 -0.188 0.000 1.434 256 I CB -0.311 37.493 38.000 -0.326 0.000 1.269 256 I HN 0.003 nan 8.210 nan 0.000 0.436 257 Y N 0.802 120.937 120.300 -0.274 0.000 2.538 257 Y HA -0.213 4.337 4.550 0.000 0.000 0.287 257 Y C 2.028 177.887 175.900 -0.070 0.000 1.157 257 Y CA 0.963 58.955 58.100 -0.180 0.000 1.338 257 Y CB -0.365 37.946 38.460 -0.248 0.000 0.970 257 Y HN 0.260 nan 8.280 nan 0.000 0.564 258 E N 0.118 120.350 120.200 0.053 0.000 2.394 258 E HA -0.035 4.315 4.350 0.000 0.000 0.191 258 E C 1.016 177.615 176.600 -0.001 0.000 1.044 258 E CA 0.040 56.472 56.400 0.054 0.000 0.939 258 E CB 0.139 29.878 29.700 0.064 0.000 1.089 258 E HN 0.625 nan 8.360 nan 0.000 0.456 259 Q N -0.303 119.486 119.800 -0.018 0.000 2.089 259 Q HA -0.006 4.334 4.340 0.000 0.000 0.195 259 Q C -0.987 175.002 176.000 -0.018 0.000 0.963 259 Q CA 0.571 56.357 55.803 -0.028 0.000 0.834 259 Q CB -0.330 28.382 28.738 -0.044 0.000 0.906 259 Q HN 0.207 nan 8.270 nan 0.000 0.452 260 P HA -0.223 nan 4.420 nan 0.000 0.206 260 P C 0.545 177.839 177.300 -0.009 0.000 1.142 260 P CA 1.357 64.458 63.100 0.002 0.000 0.946 260 P CB -0.203 31.509 31.700 0.019 0.000 0.777 261 N N -0.847 117.847 118.700 -0.010 0.000 2.334 261 N HA -0.162 4.578 4.740 0.000 0.000 0.187 261 N C 1.538 177.019 175.510 -0.049 0.000 1.016 261 N CA 1.507 54.539 53.050 -0.030 0.000 0.879 261 N CB -0.542 37.923 38.487 -0.037 0.000 0.965 261 N HN 0.169 nan 8.380 nan 0.000 0.438 262 A N 0.776 123.569 122.820 -0.046 0.000 2.021 262 A HA 0.061 4.381 4.320 0.000 0.000 0.216 262 A C 2.190 179.750 177.584 -0.040 0.000 1.163 262 A CA 0.303 52.308 52.037 -0.053 0.000 0.676 262 A CB -0.051 18.922 19.000 -0.046 0.000 0.818 262 A HN 0.098 nan 8.150 nan 0.000 0.453 263 I N 0.023 120.574 120.570 -0.031 0.000 2.353 263 I HA -0.191 3.979 4.170 0.000 0.000 0.248 263 I C 2.428 178.525 176.117 -0.032 0.000 1.119 263 I CA 1.695 62.977 61.300 -0.029 0.000 1.417 263 I CB -0.738 37.249 38.000 -0.020 0.000 1.078 263 I HN 0.487 nan 8.210 nan 0.000 0.421 264 K N 1.932 122.313 120.400 -0.032 0.000 2.044 264 K HA -0.222 4.098 4.320 0.000 0.000 0.210 264 K C 1.490 178.069 176.600 -0.035 0.000 1.049 264 K CA 2.306 58.573 56.287 -0.033 0.000 0.927 264 K CB -0.175 32.306 32.500 -0.032 0.000 0.713 264 K HN 0.243 nan 8.250 nan 0.000 0.443 265 N N -0.413 118.263 118.700 -0.039 0.000 2.609 265 N HA -0.049 4.691 4.740 0.000 0.000 0.190 265 N C 0.643 176.135 175.510 -0.031 0.000 1.157 265 N CA 1.194 54.222 53.050 -0.036 0.000 0.918 265 N CB 0.289 38.748 38.487 -0.046 0.000 0.978 265 N HN 0.258 nan 8.380 nan 0.000 0.448 266 T N -0.534 114.001 114.554 -0.032 0.000 3.039 266 T HA 0.194 4.544 4.350 0.000 0.000 0.250 266 T C 1.195 175.876 174.700 -0.031 0.000 1.052 266 T CA 0.435 62.517 62.100 -0.030 0.000 1.125 266 T CB 0.292 69.141 68.868 -0.033 0.000 0.908 266 T HN 0.126 nan 8.240 nan 0.000 0.473 267 L N 1.499 122.702 121.223 -0.034 0.000 2.872 267 L HA 0.270 4.611 4.340 0.000 0.000 0.245 267 L C 0.084 176.934 176.870 -0.034 0.000 1.211 267 L CA -0.016 54.802 54.840 -0.037 0.000 1.013 267 L CB 0.084 42.118 42.059 -0.042 0.000 1.326 267 L HN 0.048 nan 8.230 nan 0.000 0.525 268 T N 0.642 115.179 114.554 -0.029 0.000 2.743 268 T HA 0.435 4.785 4.350 0.000 0.000 0.293 268 T C 0.857 175.545 174.700 -0.021 0.000 0.945 268 T CA 0.330 62.414 62.100 -0.026 0.000 1.030 268 T CB 1.212 70.065 68.868 -0.024 0.000 0.912 268 T HN 0.500 nan 8.240 nan 0.000 0.483 269 G N 3.604 112.392 108.800 -0.021 0.000 2.248 269 G HA2 -0.231 3.729 3.960 0.000 0.000 0.263 269 G HA3 -0.231 3.729 3.960 0.000 0.000 0.263 269 G C 0.341 175.233 174.900 -0.013 0.000 1.082 269 G CA -0.218 44.873 45.100 -0.015 0.000 0.863 269 G HN 0.724 nan 8.290 nan 0.000 0.495 270 R N -0.990 119.499 120.500 -0.018 0.000 2.494 270 R HA 0.231 4.571 4.340 0.000 0.000 0.400 270 R C -0.069 176.218 176.300 -0.023 0.000 0.856 270 R CA -0.416 55.674 56.100 -0.018 0.000 1.112 270 R CB 0.684 30.971 30.300 -0.022 0.000 1.697 270 R HN 0.287 nan 8.270 nan 0.000 0.544 271 I N 1.895 122.450 120.570 -0.024 0.000 2.495 271 I HA 0.166 4.336 4.170 0.000 0.000 0.277 271 I C 0.009 176.116 176.117 -0.017 0.000 1.045 271 I CA -0.464 60.816 61.300 -0.032 0.000 1.135 271 I CB 1.315 39.284 38.000 -0.051 0.000 1.241 271 I HN -0.027 nan 8.210 nan 0.000 0.469 272 S N 5.310 121.019 115.700 0.014 0.000 2.461 272 S HA 0.392 4.862 4.470 0.000 0.000 0.322 272 S C 0.132 174.826 174.600 0.156 0.000 1.063 272 S CA -0.128 58.128 58.200 0.094 0.000 1.120 272 S CB -0.018 63.239 63.200 0.095 0.000 0.968 272 S HN 0.673 nan 8.310 nan 0.000 0.467 273 H N 2.721 121.759 119.070 -0.053 0.000 2.626 273 H HA -0.171 4.385 4.556 0.000 0.000 0.317 273 H C 1.505 176.781 175.328 -0.087 0.000 1.140 273 H CA 1.448 57.462 56.048 -0.056 0.000 1.134 273 H CB -1.545 28.193 29.762 -0.040 0.000 1.486 273 H HN 1.599 nan 8.280 nan 0.000 0.417 274 G N -1.296 107.486 108.800 -0.031 0.000 2.184 274 G HA2 -0.353 3.607 3.960 0.000 0.000 0.264 274 G HA3 -0.353 3.607 3.960 0.000 0.000 0.264 274 G C 0.402 175.232 174.900 -0.117 0.000 0.975 274 G CA 0.673 45.721 45.100 -0.087 0.000 0.642 274 G HN 0.676 nan 8.290 nan 0.000 0.536 275 Q N -1.038 118.721 119.800 -0.068 0.000 2.207 275 Q HA 0.692 5.033 4.340 0.000 0.000 0.237 275 Q C -0.309 175.671 176.000 -0.034 0.000 0.998 275 Q CA -0.863 54.901 55.803 -0.064 0.000 0.951 275 Q CB 2.165 30.878 28.738 -0.042 0.000 1.213 275 Q HN 0.197 nan 8.270 nan 0.000 0.499 276 V N 1.209 121.107 119.914 -0.026 0.000 2.357 276 V HA 0.158 4.278 4.120 0.000 0.000 0.284 276 V C -1.033 175.055 176.094 -0.010 0.000 1.018 276 V CA -0.597 61.690 62.300 -0.021 0.000 0.841 276 V CB 1.301 33.108 31.823 -0.028 0.000 0.991 276 V HN 0.638 nan 8.190 nan 0.000 0.437 277 D N 4.907 125.302 120.400 -0.007 0.000 2.443 277 D HA 0.384 5.024 4.640 0.000 0.000 0.221 277 D C -0.047 176.251 176.300 -0.003 0.000 1.097 277 D CA -0.206 53.792 54.000 -0.002 0.000 0.865 277 D CB 1.038 41.841 40.800 0.004 0.000 1.034 277 D HN 0.453 nan 8.370 nan 0.000 0.511 278 L N 3.492 124.714 121.223 -0.001 0.000 3.029 278 L HA 0.168 4.508 4.340 0.000 0.000 0.231 278 L C 1.822 178.693 176.870 0.001 0.000 1.327 278 L CA -0.305 54.535 54.840 -0.000 0.000 1.166 278 L CB -0.023 42.038 42.059 0.003 0.000 1.532 278 L HN 0.402 nan 8.230 nan 0.000 0.473 279 S N -1.379 114.321 115.700 0.000 0.000 2.419 279 S HA -0.162 4.308 4.470 0.000 0.000 0.233 279 S C 1.557 176.157 174.600 0.000 0.000 1.016 279 S CA 0.581 58.782 58.200 0.001 0.000 0.974 279 S CB -0.031 63.170 63.200 0.001 0.000 0.786 279 S HN 0.515 nan 8.310 nan 0.000 0.492 280 E N 2.217 122.417 120.200 -0.000 0.000 2.246 280 E HA -0.269 4.081 4.350 0.000 0.000 0.232 280 E C 2.006 178.605 176.600 -0.001 0.000 1.087 280 E CA 2.042 58.442 56.400 -0.001 0.000 0.964 280 E CB -1.145 28.554 29.700 -0.002 0.000 0.827 280 E HN 0.616 nan 8.360 nan 0.000 0.476 281 L N -0.456 120.768 121.223 0.000 0.000 1.932 281 L HA -0.136 4.205 4.340 0.000 0.000 0.217 281 L C 2.004 178.875 176.870 0.001 0.000 1.077 281 L CA 1.766 56.607 54.840 0.001 0.000 0.765 281 L CB -0.811 41.249 42.059 0.002 0.000 0.888 281 L HN 0.445 nan 8.230 nan 0.000 0.433 282 G N -1.763 107.038 108.800 0.001 0.000 2.272 282 G HA2 -0.036 3.924 3.960 0.000 0.000 0.068 282 G HA3 -0.036 3.924 3.960 0.000 0.000 0.068 282 G C -2.219 172.682 174.900 0.002 0.000 1.073 282 G CA 0.138 45.239 45.100 0.002 0.000 1.154 282 G HN 0.174 nan 8.290 nan 0.000 0.429 283 P HA 0.222 nan 4.420 nan 0.000 0.208 283 P C 0.485 177.787 177.300 0.003 0.000 1.107 283 P CA 0.470 63.571 63.100 0.003 0.000 0.928 283 P CB 0.264 31.965 31.700 0.003 0.000 0.778 284 N N 0.611 119.314 118.700 0.004 0.000 2.542 284 N HA 0.162 4.903 4.740 0.000 0.000 0.234 284 N C 0.915 176.428 175.510 0.005 0.000 1.257 284 N CA 0.419 53.472 53.050 0.005 0.000 0.883 284 N CB 0.149 38.639 38.487 0.005 0.000 1.197 284 N HN 0.280 nan 8.380 nan 0.000 0.488 285 A N 0.334 123.156 122.820 0.004 0.000 2.083 285 A HA 0.043 4.363 4.320 0.000 0.000 0.210 285 A C 1.641 179.227 177.584 0.005 0.000 2.137 285 A CA 0.257 52.296 52.037 0.004 0.000 1.008 285 A CB -0.591 18.411 19.000 0.003 0.000 1.306 285 A HN 0.187 nan 8.150 nan 0.000 0.632 286 D N 0.410 120.812 120.400 0.004 0.000 2.220 286 D HA -0.202 4.439 4.640 0.000 0.000 0.198 286 D C 1.470 177.773 176.300 0.005 0.000 1.001 286 D CA 1.842 55.845 54.000 0.005 0.000 0.875 286 D CB -0.058 40.745 40.800 0.004 0.000 0.921 286 D HN 0.666 nan 8.370 nan 0.000 0.454 287 E N -1.056 119.147 120.200 0.005 0.000 2.511 287 E HA -0.043 4.307 4.350 0.000 0.000 0.196 287 E C 1.566 178.169 176.600 0.006 0.000 1.066 287 E CA 0.087 56.490 56.400 0.005 0.000 0.871 287 E CB 0.223 29.926 29.700 0.005 0.000 0.863 287 E HN 0.356 nan 8.360 nan 0.000 0.520 288 L N -0.523 120.704 121.223 0.006 0.000 2.500 288 L HA 0.148 4.488 4.340 0.000 0.000 0.219 288 L C 1.040 177.914 176.870 0.007 0.000 1.057 288 L CA 0.828 55.672 54.840 0.008 0.000 0.854 288 L CB 0.349 42.413 42.059 0.009 0.000 1.078 288 L HN -0.026 nan 8.230 nan 0.000 0.480 289 L N 0.510 121.736 121.223 0.004 0.000 2.912 289 L HA 0.158 4.499 4.340 0.000 0.000 0.246 289 L C 0.873 177.745 176.870 0.003 0.000 1.371 289 L CA 0.075 54.915 54.840 -0.000 0.000 1.196 289 L CB -0.799 41.259 42.059 -0.002 0.000 1.596 289 L HN 0.213 nan 8.230 nan 0.000 0.429 290 S N -1.399 114.304 115.700 0.005 0.000 2.554 290 S HA 0.104 4.575 4.470 0.000 0.000 0.227 290 S C 1.605 176.209 174.600 0.006 0.000 1.050 290 S CA -0.209 57.995 58.200 0.006 0.000 0.927 290 S CB 0.507 63.711 63.200 0.006 0.000 0.859 290 S HN 0.415 nan 8.310 nan 0.000 0.494 291 K N 1.282 121.686 120.400 0.006 0.000 2.308 291 K HA 0.240 4.560 4.320 0.000 0.000 0.197 291 K C 0.054 176.658 176.600 0.008 0.000 1.049 291 K CA 0.118 56.409 56.287 0.007 0.000 0.991 291 K CB 0.135 32.639 32.500 0.008 0.000 0.836 291 K HN 0.043 nan 8.250 nan 0.000 0.500 292 V N 3.549 123.466 119.914 0.005 0.000 2.621 292 V HA -0.151 3.969 4.120 0.000 0.000 0.300 292 V C 0.698 176.796 176.094 0.007 0.000 1.031 292 V CA 1.358 63.660 62.300 0.002 0.000 1.210 292 V CB -0.140 31.671 31.823 -0.021 0.000 0.864 292 V HN 0.331 nan 8.190 nan 0.000 0.477 293 E N 3.213 123.429 120.200 0.026 0.000 2.714 293 E HA 0.247 4.597 4.350 0.000 0.000 0.219 293 E C -0.093 176.560 176.600 0.088 0.000 0.979 293 E CA -0.156 56.266 56.400 0.038 0.000 1.092 293 E CB 0.673 30.393 29.700 0.033 0.000 1.049 293 E HN 0.785 nan 8.360 nan 0.000 0.487 294 H N 0.093 119.135 119.070 -0.048 0.000 3.120 294 H HA 0.237 4.793 4.556 0.000 0.000 0.314 294 H C -1.702 173.580 175.328 -0.076 0.000 1.151 294 H CA -0.454 55.559 56.048 -0.058 0.000 1.404 294 H CB 0.861 30.586 29.762 -0.063 0.000 2.031 294 H HN 0.017 nan 8.280 nan 0.000 0.513 295 I N 4.451 124.683 120.570 -0.562 0.000 2.750 295 I HA 0.027 4.197 4.170 0.000 0.000 0.279 295 I C -0.005 175.965 176.117 -0.246 0.000 1.206 295 I CA -0.566 60.539 61.300 -0.324 0.000 1.101 295 I CB 1.137 38.857 38.000 -0.467 0.000 1.431 295 I HN 0.339 nan 8.210 nan 0.000 0.551 296 Q N 5.238 125.094 119.800 0.093 0.000 2.337 296 Q HA 0.392 4.733 4.340 0.000 0.000 0.270 296 Q C -1.049 174.981 176.000 0.050 0.000 1.002 296 Q CA 0.760 56.666 55.803 0.171 0.000 0.888 296 Q CB 0.871 29.796 28.738 0.312 0.000 1.222 296 Q HN 0.552 nan 8.270 nan 0.000 0.400 297 I N 5.102 125.683 120.570 0.017 0.000 2.465 297 I HA 0.372 4.542 4.170 0.000 0.000 0.291 297 I C -0.622 175.516 176.117 0.035 0.000 1.014 297 I CA -0.866 60.446 61.300 0.019 0.000 1.093 297 I CB 1.441 39.461 38.000 0.033 0.000 1.267 297 I HN 0.515 nan 8.210 nan 0.000 0.431 298 L N 5.147 126.392 121.223 0.037 0.000 2.322 298 L HA 0.989 5.329 4.340 0.000 0.000 0.269 298 L C 0.008 176.943 176.870 0.109 0.000 1.012 298 L CA -0.449 54.432 54.840 0.068 0.000 0.815 298 L CB 1.920 44.008 42.059 0.049 0.000 1.295 298 L HN 0.863 nan 8.230 nan 0.000 0.438 299 A N 0.616 123.518 122.820 0.137 0.000 2.332 299 A HA 0.649 4.969 4.320 0.000 0.000 0.293 299 A C -1.915 175.745 177.584 0.128 0.000 1.014 299 A CA -0.528 51.594 52.037 0.142 0.000 0.566 299 A CB 0.325 19.431 19.000 0.178 0.000 1.483 299 A HN 0.659 nan 8.150 nan 0.000 0.603 300 C N -1.426 117.947 119.300 0.121 0.000 3.311 300 C HA 0.840 5.300 4.460 0.000 0.000 0.325 300 C C 1.204 176.244 174.990 0.083 0.000 1.352 300 C CA 0.409 59.462 59.018 0.059 0.000 1.308 300 C CB 0.966 28.727 27.740 0.035 0.000 1.619 300 C HN 2.926 nan 8.230 nan 0.000 0.469 301 G N 1.673 110.497 108.800 0.039 0.000 2.602 301 G HA2 -0.296 3.665 3.960 0.000 0.000 0.306 301 G HA3 -0.296 3.665 3.960 0.000 0.000 0.306 301 G C 0.871 175.800 174.900 0.048 0.000 1.301 301 G CA 0.924 46.041 45.100 0.029 0.000 0.974 301 G HN 1.046 nan 8.290 nan 0.000 0.547 302 T N 1.019 115.564 114.554 -0.016 0.000 2.946 302 T HA -0.039 4.311 4.350 0.000 0.000 0.271 302 T C 2.709 177.455 174.700 0.077 0.000 1.104 302 T CA 1.974 64.016 62.100 -0.097 0.000 1.114 302 T CB -0.351 68.413 68.868 -0.173 0.000 0.867 302 T HN 0.542 nan 8.240 nan 0.000 0.513 303 S N 0.620 116.405 115.700 0.141 0.000 2.348 303 S HA -0.128 4.342 4.470 0.000 0.000 0.221 303 S C 1.637 176.372 174.600 0.225 0.000 1.033 303 S CA 1.103 59.419 58.200 0.194 0.000 1.010 303 S CB -0.577 62.712 63.200 0.148 0.000 0.891 303 S HN 0.636 nan 8.310 nan 0.000 0.442 304 Y N 3.493 123.833 120.300 0.067 0.000 2.081 304 Y HA -0.269 4.281 4.550 0.000 0.000 0.280 304 Y C 2.121 178.058 175.900 0.061 0.000 1.163 304 Y CA 1.706 59.835 58.100 0.049 0.000 1.135 304 Y CB -0.832 37.636 38.460 0.014 0.000 0.970 304 Y HN 0.154 nan 8.280 nan 0.000 0.498 305 N N 0.208 118.917 118.700 0.014 0.000 2.069 305 N HA -0.247 4.493 4.740 0.000 0.000 0.196 305 N C 1.937 177.519 175.510 0.120 0.000 1.024 305 N CA 2.055 55.069 53.050 -0.061 0.000 0.869 305 N CB -0.794 37.592 38.487 -0.170 0.000 1.035 305 N HN 0.521 nan 8.380 nan 0.000 0.434 306 S N 0.108 116.067 115.700 0.431 0.000 2.359 306 S HA -0.157 4.313 4.470 0.000 0.000 0.222 306 S C 2.154 176.775 174.600 0.035 0.000 1.038 306 S CA 1.470 59.814 58.200 0.240 0.000 1.051 306 S CB -1.247 62.052 63.200 0.164 0.000 0.944 306 S HN 0.553 nan 8.310 nan 0.000 0.433 307 G N 3.049 111.848 108.800 -0.001 0.000 2.514 307 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 307 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 307 G C 1.403 176.224 174.900 -0.131 0.000 1.198 307 G CA 1.566 46.647 45.100 -0.032 0.000 0.780 307 G HN 0.282 nan 8.290 nan 0.000 0.565 308 M N 0.355 119.767 119.600 -0.312 0.000 2.204 308 M HA -0.167 4.313 4.480 0.000 0.000 0.255 308 M C 2.759 178.938 176.300 -0.203 0.000 1.073 308 M CA 1.325 56.434 55.300 -0.317 0.000 1.084 308 M CB -1.599 30.766 32.600 -0.391 0.000 1.289 308 M HN 0.151 nan 8.290 nan 0.000 0.419 309 V N 0.495 120.306 119.914 -0.172 0.000 2.407 309 V HA -0.215 3.906 4.120 0.000 0.000 0.248 309 V C 2.602 178.422 176.094 -0.458 0.000 1.055 309 V CA 1.932 64.048 62.300 -0.306 0.000 1.049 309 V CB -1.275 30.291 31.823 -0.427 0.000 0.662 309 V HN 0.657 nan 8.190 nan 0.000 0.455 310 S N 0.110 115.708 115.700 -0.170 0.000 2.447 310 S HA -0.202 4.268 4.470 0.000 0.000 0.233 310 S C 2.032 176.660 174.600 0.047 0.000 1.006 310 S CA 1.231 59.444 58.200 0.021 0.000 0.957 310 S CB -0.401 62.938 63.200 0.232 0.000 0.773 310 S HN 0.571 nan 8.310 nan 0.000 0.507 311 R N -0.040 120.449 120.500 -0.018 0.000 2.075 311 R HA -0.082 4.258 4.340 0.000 0.000 0.230 311 R C 1.953 178.217 176.300 -0.060 0.000 1.140 311 R CA 1.868 57.944 56.100 -0.039 0.000 0.928 311 R CB -0.642 29.500 30.300 -0.263 0.000 0.834 311 R HN 0.481 nan 8.270 nan 0.000 0.429 312 Y N -0.813 119.433 120.300 -0.090 0.000 2.219 312 Y HA -0.319 4.231 4.550 0.000 0.000 0.283 312 Y C 2.073 177.967 175.900 -0.011 0.000 1.191 312 Y CA 1.294 59.330 58.100 -0.106 0.000 1.199 312 Y CB -0.304 38.019 38.460 -0.228 0.000 0.972 312 Y HN 0.315 nan 8.280 nan 0.000 0.527 313 W N -2.062 119.244 121.300 0.009 0.000 2.539 313 W HA -0.004 4.656 4.660 0.001 0.000 0.299 313 W C 2.050 178.501 176.519 -0.113 0.000 1.165 313 W CA 0.380 57.653 57.345 -0.120 0.000 1.400 313 W CB -1.520 27.746 29.460 -0.323 0.000 1.123 313 W HN -0.010 nan 8.180 nan 0.000 0.533 314 F N 1.441 121.542 119.950 0.251 0.000 2.307 314 F HA -0.172 4.356 4.527 0.000 0.000 0.301 314 F C 2.183 178.025 175.800 0.070 0.000 1.076 314 F CA 1.142 59.209 58.000 0.112 0.000 1.383 314 F CB -0.738 38.291 39.000 0.048 0.000 1.055 314 F HN -0.032 nan 8.300 nan 0.000 0.526 315 E N -0.403 119.932 120.200 0.224 0.000 2.038 315 E HA -0.104 4.246 4.350 0.000 0.000 0.190 315 E C 2.453 179.133 176.600 0.133 0.000 0.967 315 E CA 1.297 57.781 56.400 0.140 0.000 0.816 315 E CB -0.714 29.037 29.700 0.086 0.000 0.784 315 E HN 0.354 nan 8.360 nan 0.000 0.456 316 S N 1.483 117.273 115.700 0.150 0.000 2.353 316 S HA -0.162 4.309 4.470 0.000 0.000 0.222 316 S C 2.227 176.895 174.600 0.114 0.000 1.035 316 S CA 1.144 59.423 58.200 0.131 0.000 1.025 316 S CB -0.699 62.593 63.200 0.154 0.000 0.902 316 S HN 0.106 nan 8.310 nan 0.000 0.440 317 L N 1.541 122.841 121.223 0.128 0.000 2.013 317 L HA 0.205 4.546 4.340 0.000 0.000 0.204 317 L C 3.088 180.012 176.870 0.090 0.000 1.081 317 L CA 1.122 56.016 54.840 0.089 0.000 0.751 317 L CB -0.817 41.274 42.059 0.053 0.000 0.901 317 L HN 0.459 nan 8.230 nan 0.000 0.440 318 A N -0.167 122.730 122.820 0.130 0.000 2.248 318 A HA 0.136 4.457 4.320 0.000 0.000 0.210 318 A C 1.921 179.566 177.584 0.102 0.000 1.174 318 A CA 0.859 52.976 52.037 0.133 0.000 0.750 318 A CB -1.175 17.957 19.000 0.219 0.000 0.780 318 A HN 0.664 nan 8.150 nan 0.000 0.478 319 G N -0.911 107.945 108.800 0.094 0.000 2.300 319 G HA2 -0.315 3.646 3.960 0.000 0.000 0.267 319 G HA3 -0.315 3.646 3.960 0.000 0.000 0.267 319 G C 0.344 175.282 174.900 0.063 0.000 0.980 319 G CA 0.923 46.065 45.100 0.070 0.000 0.635 319 G HN 0.548 nan 8.290 nan 0.000 0.552 320 I N 2.167 122.780 120.570 0.072 0.000 2.385 320 I HA 0.287 4.457 4.170 0.000 0.000 0.294 320 I C -1.913 174.216 176.117 0.020 0.000 0.988 320 I CA -2.537 58.786 61.300 0.039 0.000 1.265 320 I CB 1.685 39.697 38.000 0.020 0.000 1.388 320 I HN -0.162 nan 8.210 nan 0.000 0.480 321 P HA -0.052 nan 4.420 nan 0.000 0.262 321 P C -0.969 176.197 177.300 -0.224 0.000 1.182 321 P CA -0.118 62.947 63.100 -0.059 0.000 0.761 321 P CB 0.310 32.011 31.700 0.001 0.000 0.795 322 C N 3.653 122.836 119.300 -0.194 0.000 2.698 322 C HA 0.636 5.097 4.460 0.000 0.000 0.309 322 C C -1.288 173.584 174.990 -0.197 0.000 1.186 322 C CA -0.381 58.479 59.018 -0.263 0.000 1.474 322 C CB 1.301 29.034 27.740 -0.012 0.000 2.020 322 C HN 0.452 nan 8.230 nan 0.000 0.474 323 D N 2.082 122.362 120.400 -0.201 0.000 2.433 323 D HA 0.793 5.433 4.640 0.000 0.000 0.236 323 D C -1.083 175.208 176.300 -0.015 0.000 1.026 323 D CA -0.105 53.870 54.000 -0.042 0.000 0.884 323 D CB 2.335 43.194 40.800 0.098 0.000 1.384 323 D HN 0.539 nan 8.370 nan 0.000 0.477 324 V N 0.925 120.845 119.914 0.011 0.000 2.808 324 V HA 0.524 4.644 4.120 0.000 0.000 0.308 324 V C -0.689 175.514 176.094 0.182 0.000 1.099 324 V CA -0.701 61.622 62.300 0.039 0.000 0.920 324 V CB 2.397 34.165 31.823 -0.090 0.000 1.014 324 V HN 0.530 nan 8.190 nan 0.000 0.425 325 E N 3.106 123.489 120.200 0.306 0.000 2.363 325 E HA 0.456 4.806 4.350 0.000 0.000 0.281 325 E C -1.338 175.388 176.600 0.210 0.000 0.953 325 E CA -0.780 55.814 56.400 0.324 0.000 0.778 325 E CB 2.122 31.886 29.700 0.107 0.000 1.220 325 E HN 0.596 nan 8.360 nan 0.000 0.431 326 I N 3.115 123.564 120.570 -0.202 0.000 2.752 326 I HA -0.048 4.122 4.170 0.000 0.000 0.287 326 I C 1.480 177.583 176.117 -0.023 0.000 1.188 326 I CA 0.594 61.722 61.300 -0.287 0.000 1.427 326 I CB 0.897 38.632 38.000 -0.442 0.000 1.365 326 I HN 0.808 nan 8.210 nan 0.000 0.585 327 A N 5.002 127.833 122.820 0.019 0.000 1.845 327 A HA -0.163 4.157 4.320 0.000 0.000 0.215 327 A C 2.039 179.644 177.584 0.034 0.000 1.195 327 A CA 1.756 53.840 52.037 0.078 0.000 0.616 327 A CB -0.911 18.119 19.000 0.050 0.000 0.832 327 A HN 0.842 nan 8.150 nan 0.000 0.443 328 S N -1.036 114.661 115.700 -0.004 0.000 2.951 328 S HA -0.067 4.404 4.470 0.000 0.000 0.246 328 S C 0.754 175.393 174.600 0.064 0.000 0.999 328 S CA 1.396 59.602 58.200 0.011 0.000 1.051 328 S CB -0.342 62.875 63.200 0.028 0.000 0.815 328 S HN 0.506 nan 8.310 nan 0.000 0.540 329 E N -1.099 119.140 120.200 0.066 0.000 2.641 329 E HA 0.196 4.546 4.350 0.000 0.000 0.201 329 E C 0.614 177.310 176.600 0.160 0.000 0.921 329 E CA 0.055 56.524 56.400 0.115 0.000 1.551 329 E CB -0.477 29.269 29.700 0.077 0.000 1.640 329 E HN 0.552 nan 8.360 nan 0.000 0.906 330 F N 2.920 122.855 119.950 -0.025 0.000 2.317 330 F HA 0.112 4.639 4.527 0.000 0.000 0.290 330 F C 1.873 177.628 175.800 -0.075 0.000 1.075 330 F CA 0.998 58.988 58.000 -0.016 0.000 1.380 330 F CB 0.023 39.021 39.000 -0.002 0.000 1.093 330 F HN -0.135 nan 8.300 nan 0.000 0.524 331 R N -1.023 119.174 120.500 -0.506 0.000 2.416 331 R HA -0.146 4.194 4.340 0.000 0.000 0.205 331 R C -0.321 175.489 176.300 -0.817 0.000 1.150 331 R CA 1.470 57.101 56.100 -0.782 0.000 1.139 331 R CB -1.018 28.836 30.300 -0.744 0.000 0.861 331 R HN 0.410 nan 8.270 nan 0.000 0.480 332 Y N -0.583 119.585 120.300 -0.220 0.000 2.710 332 Y HA 0.226 4.777 4.550 0.001 0.000 0.278 332 Y C 0.011 175.853 175.900 -0.097 0.000 1.014 332 Y CA -0.973 57.051 58.100 -0.127 0.000 1.227 332 Y CB 0.432 38.853 38.460 -0.065 0.000 1.408 332 Y HN 0.095 nan 8.280 nan 0.000 0.580 333 R N 1.229 121.739 120.500 0.017 0.000 2.445 333 R HA 0.373 4.713 4.340 0.000 0.000 0.308 333 R C -0.409 175.927 176.300 0.060 0.000 0.961 333 R CA -0.808 55.335 56.100 0.071 0.000 0.862 333 R CB 1.115 31.494 30.300 0.132 0.000 1.144 333 R HN -0.291 nan 8.270 nan 0.000 0.447 334 K N 3.014 123.451 120.400 0.063 0.000 2.307 334 K HA 0.009 4.330 4.320 0.000 0.000 0.285 334 K C -0.751 175.925 176.600 0.126 0.000 1.073 334 K CA 0.378 56.708 56.287 0.072 0.000 0.996 334 K CB 0.550 33.080 32.500 0.050 0.000 0.994 334 K HN 0.696 nan 8.250 nan 0.000 0.452 335 S N 2.690 118.521 115.700 0.219 0.000 2.586 335 S HA 0.535 5.005 4.470 0.000 0.000 0.274 335 S C -0.497 174.172 174.600 0.115 0.000 1.281 335 S CA -0.681 57.657 58.200 0.230 0.000 1.035 335 S CB 0.906 64.368 63.200 0.437 0.000 0.962 335 S HN 0.534 nan 8.310 nan 0.000 0.512 336 A N 4.189 127.034 122.820 0.042 0.000 2.289 336 A HA 0.569 4.889 4.320 0.000 0.000 0.298 336 A C -0.178 177.350 177.584 -0.094 0.000 1.208 336 A CA -0.636 51.391 52.037 -0.018 0.000 0.845 336 A CB 0.273 19.259 19.000 -0.024 0.000 1.125 336 A HN 0.809 nan 8.150 nan 0.000 0.517 337 V N 4.477 124.312 119.914 -0.131 0.000 2.555 337 V HA 0.179 4.299 4.120 0.000 0.000 0.286 337 V C 0.652 176.581 176.094 -0.276 0.000 1.044 337 V CA -0.176 61.966 62.300 -0.263 0.000 1.026 337 V CB 0.475 32.144 31.823 -0.256 0.000 0.981 337 V HN 0.944 nan 8.190 nan 0.000 0.480 338 R N 3.786 124.042 120.500 -0.406 0.000 2.457 338 R HA 0.526 4.866 4.340 0.000 0.000 0.284 338 R C 0.051 176.181 176.300 -0.283 0.000 1.024 338 R CA -0.971 54.898 56.100 -0.384 0.000 1.025 338 R CB 1.235 31.123 30.300 -0.686 0.000 1.063 338 R HN 0.634 nan 8.270 nan 0.000 0.493 339 R N 2.203 122.605 120.500 -0.164 0.000 2.538 339 R HA -0.114 4.226 4.340 0.000 0.000 0.282 339 R C -0.314 175.951 176.300 -0.060 0.000 1.009 339 R CA 0.413 56.456 56.100 -0.095 0.000 1.063 339 R CB 0.147 30.414 30.300 -0.055 0.000 0.945 339 R HN 0.725 nan 8.270 nan 0.000 0.414 340 N N 1.431 120.103 118.700 -0.047 0.000 2.758 340 N HA -0.204 4.536 4.740 0.000 0.000 0.248 340 N C -1.063 174.454 175.510 0.011 0.000 1.076 340 N CA 1.377 54.422 53.050 -0.009 0.000 0.696 340 N CB -1.162 37.330 38.487 0.009 0.000 0.979 340 N HN 0.604 nan 8.380 nan 0.000 0.550 341 S N 0.446 116.119 115.700 -0.044 0.000 2.455 341 S HA 0.366 4.836 4.470 0.000 0.000 0.278 341 S C 0.172 174.868 174.600 0.159 0.000 1.216 341 S CA -0.724 57.472 58.200 -0.007 0.000 1.055 341 S CB 0.534 63.507 63.200 -0.379 0.000 0.939 341 S HN 0.345 nan 8.310 nan 0.000 0.494 342 L N 5.477 126.805 121.223 0.175 0.000 2.357 342 L HA 0.797 5.138 4.340 0.000 0.000 0.273 342 L C -0.418 176.560 176.870 0.180 0.000 1.080 342 L CA -0.374 54.551 54.840 0.142 0.000 0.803 342 L CB 1.590 43.657 42.059 0.014 0.000 1.174 342 L HN 0.871 nan 8.230 nan 0.000 0.443 343 M N 4.111 123.769 119.600 0.096 0.000 2.578 343 M HA 0.718 5.199 4.480 0.000 0.000 0.321 343 M C -1.469 174.811 176.300 -0.032 0.000 1.182 343 M CA 0.071 55.367 55.300 -0.006 0.000 0.965 343 M CB 1.457 33.930 32.600 -0.210 0.000 1.694 343 M HN 0.512 nan 8.290 nan 0.000 0.461 344 I N 0.901 121.453 120.570 -0.031 0.000 3.174 344 I HA 0.782 4.952 4.170 0.000 0.000 0.313 344 I C -0.555 175.565 176.117 0.005 0.000 1.155 344 I CA -0.109 61.185 61.300 -0.010 0.000 0.977 344 I CB 2.782 40.783 38.000 0.002 0.000 1.248 344 I HN 0.877 nan 8.210 nan 0.000 0.453 345 T N 0.462 115.029 114.554 0.022 0.000 2.896 345 T HA 0.760 5.110 4.350 0.000 0.000 0.297 345 T C -0.558 174.174 174.700 0.054 0.000 1.108 345 T CA -0.534 61.587 62.100 0.034 0.000 1.004 345 T CB 1.505 70.384 68.868 0.019 0.000 1.159 345 T HN 0.503 nan 8.240 nan 0.000 0.499 346 L N 0.802 122.066 121.223 0.069 0.000 3.524 346 L HA 0.365 4.705 4.340 0.000 0.000 0.337 346 L C 0.232 177.156 176.870 0.090 0.000 1.330 346 L CA -0.257 54.635 54.840 0.085 0.000 0.966 346 L CB 0.867 42.995 42.059 0.114 0.000 1.395 346 L HN 0.760 nan 8.230 nan 0.000 0.616 347 S N 0.287 116.028 115.700 0.069 0.000 2.509 347 S HA 0.217 4.687 4.470 0.000 0.000 0.297 347 S C 0.036 174.665 174.600 0.047 0.000 1.118 347 S CA -0.308 57.931 58.200 0.065 0.000 1.074 347 S CB 1.600 64.835 63.200 0.059 0.000 1.038 347 S HN 0.256 nan 8.310 nan 0.000 0.498 348 Q N 2.873 122.700 119.800 0.046 0.000 3.004 348 Q HA 0.159 4.499 4.340 0.000 0.000 0.256 348 Q C 0.327 176.338 176.000 0.019 0.000 1.387 348 Q CA 0.434 56.254 55.803 0.027 0.000 0.962 348 Q CB -0.557 28.194 28.738 0.021 0.000 1.676 348 Q HN 0.834 nan 8.270 nan 0.000 0.568 349 S N -0.069 115.641 115.700 0.016 0.000 1.707 349 S HA -0.005 4.465 4.470 0.000 0.000 0.180 349 S C 1.025 175.627 174.600 0.005 0.000 0.716 349 S CA 0.814 59.021 58.200 0.012 0.000 1.700 349 S CB -1.001 62.213 63.200 0.023 0.000 1.074 349 S HN 0.804 nan 8.310 nan 0.000 0.418 350 G N 1.600 110.406 108.800 0.010 0.000 2.269 350 G HA2 -0.281 3.679 3.960 0.000 0.000 0.277 350 G HA3 -0.281 3.679 3.960 0.000 0.000 0.277 350 G C 0.289 175.191 174.900 0.003 0.000 1.008 350 G CA 1.105 46.207 45.100 0.004 0.000 0.774 350 G HN 0.705 nan 8.290 nan 0.000 0.511 351 E N -1.109 119.098 120.200 0.012 0.000 2.702 351 E HA 0.058 4.408 4.350 0.000 0.000 0.225 351 E C 0.889 177.506 176.600 0.028 0.000 0.942 351 E CA 0.332 56.740 56.400 0.015 0.000 1.210 351 E CB 0.464 30.169 29.700 0.009 0.000 1.143 351 E HN 0.605 nan 8.360 nan 0.000 0.544 352 T N -0.173 114.402 114.554 0.036 0.000 2.718 352 T HA -0.063 4.288 4.350 0.000 0.000 0.265 352 T C 1.363 176.090 174.700 0.045 0.000 1.014 352 T CA 0.315 62.444 62.100 0.049 0.000 1.172 352 T CB 1.145 70.044 68.868 0.052 0.000 1.007 352 T HN 0.145 nan 8.240 nan 0.000 0.500 353 A N 3.959 126.816 122.820 0.062 0.000 1.870 353 A HA -0.237 4.083 4.320 0.000 0.000 0.219 353 A C 1.979 179.578 177.584 0.024 0.000 1.224 353 A CA 2.305 54.376 52.037 0.057 0.000 0.650 353 A CB -1.110 17.941 19.000 0.086 0.000 0.836 353 A HN 0.907 nan 8.150 nan 0.000 0.454 354 D N -1.061 119.349 120.400 0.016 0.000 2.117 354 D HA -0.056 4.584 4.640 0.000 0.000 0.198 354 D C 2.034 178.312 176.300 -0.036 0.000 0.982 354 D CA 1.735 55.712 54.000 -0.039 0.000 0.828 354 D CB -0.662 40.120 40.800 -0.031 0.000 0.967 354 D HN 0.454 nan 8.370 nan 0.000 0.464 355 T N 0.996 115.554 114.554 0.007 0.000 2.699 355 T HA -0.183 4.167 4.350 0.000 0.000 0.268 355 T C 1.893 176.599 174.700 0.011 0.000 1.036 355 T CA 0.752 62.867 62.100 0.025 0.000 1.147 355 T CB -0.468 68.423 68.868 0.038 0.000 0.862 355 T HN 0.055 nan 8.240 nan 0.000 0.446 356 L N 1.443 122.667 121.223 0.003 0.000 1.971 356 L HA -0.108 4.233 4.340 0.000 0.000 0.215 356 L C 2.723 179.577 176.870 -0.026 0.000 1.072 356 L CA 2.192 57.029 54.840 -0.005 0.000 0.758 356 L CB -0.998 41.063 42.059 0.004 0.000 0.889 356 L HN 0.255 nan 8.230 nan 0.000 0.433 357 A N -0.506 122.283 122.820 -0.050 0.000 1.927 357 A HA -0.204 4.116 4.320 0.000 0.000 0.220 357 A C 2.303 179.821 177.584 -0.110 0.000 1.185 357 A CA 2.044 54.021 52.037 -0.099 0.000 0.639 357 A CB -1.770 17.122 19.000 -0.179 0.000 0.820 357 A HN 0.612 nan 8.150 nan 0.000 0.451 358 G N -0.163 108.598 108.800 -0.065 0.000 2.552 358 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 358 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 358 G C 1.469 176.397 174.900 0.046 0.000 1.240 358 G CA 1.237 46.372 45.100 0.057 0.000 0.796 358 G HN 0.656 nan 8.290 nan 0.000 0.568 359 L N 0.772 121.998 121.223 0.004 0.000 2.081 359 L HA -0.014 4.327 4.340 0.000 0.000 0.212 359 L C 2.572 179.410 176.870 -0.053 0.000 1.080 359 L CA 2.198 57.010 54.840 -0.047 0.000 0.754 359 L CB -0.605 41.432 42.059 -0.037 0.000 0.893 359 L HN 0.266 nan 8.230 nan 0.000 0.433 360 R N -1.450 119.029 120.500 -0.036 0.000 2.316 360 R HA -0.071 4.269 4.340 0.000 0.000 0.202 360 R C 1.741 178.022 176.300 -0.032 0.000 1.029 360 R CA 0.813 56.894 56.100 -0.031 0.000 1.018 360 R CB -0.029 30.256 30.300 -0.025 0.000 0.888 360 R HN 0.433 nan 8.270 nan 0.000 0.471 361 L N -0.585 120.614 121.223 -0.040 0.000 2.470 361 L HA 0.108 4.448 4.340 0.000 0.000 0.219 361 L C 1.722 178.614 176.870 0.037 0.000 1.071 361 L CA 0.966 55.785 54.840 -0.035 0.000 0.850 361 L CB 0.218 42.193 42.059 -0.140 0.000 1.040 361 L HN 0.080 nan 8.230 nan 0.000 0.475 362 S N -0.585 115.105 115.700 -0.017 0.000 2.423 362 S HA -0.282 4.188 4.470 0.000 0.000 0.238 362 S C 1.838 176.500 174.600 0.103 0.000 1.028 362 S CA 1.569 59.682 58.200 -0.145 0.000 1.000 362 S CB -0.562 62.265 63.200 -0.621 0.000 0.797 362 S HN 0.510 nan 8.310 nan 0.000 0.487 363 K N 1.348 121.779 120.400 0.053 0.000 1.991 363 K HA -0.017 4.303 4.320 0.000 0.000 0.207 363 K C 2.332 178.987 176.600 0.090 0.000 1.045 363 K CA 1.209 57.538 56.287 0.071 0.000 0.937 363 K CB -0.316 32.204 32.500 0.033 0.000 0.720 363 K HN 0.464 nan 8.250 nan 0.000 0.438 364 E N 1.096 121.337 120.200 0.068 0.000 2.284 364 E HA -0.224 4.126 4.350 0.000 0.000 0.200 364 E C 1.700 178.353 176.600 0.088 0.000 1.008 364 E CA 1.003 57.439 56.400 0.061 0.000 0.829 364 E CB 0.036 29.758 29.700 0.037 0.000 0.744 364 E HN 0.244 nan 8.360 nan 0.000 0.491 365 L N -1.489 119.825 121.223 0.150 0.000 2.221 365 L HA 0.203 4.543 4.340 0.000 0.000 0.202 365 L C 1.320 178.275 176.870 0.141 0.000 1.074 365 L CA 0.508 55.456 54.840 0.179 0.000 0.795 365 L CB 0.133 42.395 42.059 0.339 0.000 0.960 365 L HN 0.316 nan 8.230 nan 0.000 0.458 366 G N -1.106 107.810 108.800 0.193 0.000 2.754 366 G HA2 -0.219 3.741 3.960 0.000 0.000 0.215 366 G HA3 -0.219 3.741 3.960 0.000 0.000 0.215 366 G C -0.222 174.751 174.900 0.122 0.000 1.121 366 G CA -0.475 44.701 45.100 0.126 0.000 0.954 366 G HN -0.006 nan 8.290 nan 0.000 0.511 367 Y N -0.552 119.762 120.300 0.023 0.000 2.716 367 Y HA 0.541 5.092 4.550 0.000 0.000 0.230 367 Y C 2.316 178.222 175.900 0.009 0.000 0.969 367 Y CA 2.047 60.156 58.100 0.016 0.000 0.989 367 Y CB -0.173 38.300 38.460 0.023 0.000 1.059 367 Y HN 0.714 nan 8.280 nan 0.000 0.474 368 L N -4.268 117.089 121.223 0.224 0.000 1.260 368 L HA 0.278 4.618 4.340 0.000 0.000 0.048 368 L C 0.465 177.393 176.870 0.096 0.000 1.556 368 L CA 0.660 55.568 54.840 0.112 0.000 1.099 368 L CB -0.506 41.596 42.059 0.072 0.000 2.191 368 L HN 0.357 nan 8.230 nan 0.000 0.432 369 G N -0.015 108.847 108.800 0.103 0.000 2.887 369 G HA2 0.535 4.495 3.960 0.000 0.000 0.277 369 G HA3 0.535 4.495 3.960 0.000 0.000 0.277 369 G C -0.460 174.465 174.900 0.041 0.000 1.346 369 G CA 0.148 45.283 45.100 0.057 0.000 1.058 369 G HN 0.906 nan 8.290 nan 0.000 0.535 370 S N -0.970 114.736 115.700 0.009 0.000 2.754 370 S HA 0.109 4.579 4.470 0.000 0.000 0.145 370 S C -0.525 174.065 174.600 -0.017 0.000 0.915 370 S CA -0.548 57.639 58.200 -0.021 0.000 0.981 370 S CB -0.887 62.290 63.200 -0.039 0.000 1.697 370 S HN 0.758 nan 8.310 nan 0.000 0.543 371 L N 2.475 123.691 121.223 -0.012 0.000 2.483 371 L HA 0.662 5.002 4.340 0.000 0.000 0.276 371 L C 0.193 177.060 176.870 -0.006 0.000 1.213 371 L CA 0.478 55.313 54.840 -0.008 0.000 0.843 371 L CB 0.844 42.899 42.059 -0.007 0.000 1.107 371 L HN 0.754 nan 8.230 nan 0.000 0.487 372 A N 6.676 129.495 122.820 -0.000 0.000 2.353 372 A HA 0.586 4.906 4.320 0.000 0.000 0.299 372 A C -0.748 176.843 177.584 0.012 0.000 1.089 372 A CA -0.536 51.504 52.037 0.004 0.000 0.736 372 A CB 0.810 19.808 19.000 -0.003 0.000 1.195 372 A HN 0.664 nan 8.150 nan 0.000 0.447 373 I N 2.600 123.184 120.570 0.023 0.000 2.307 373 I HA 0.278 4.448 4.170 0.000 0.000 0.287 373 I C -0.193 175.938 176.117 0.024 0.000 1.054 373 I CA -0.162 61.153 61.300 0.026 0.000 1.218 373 I CB 0.694 38.719 38.000 0.041 0.000 1.398 373 I HN 0.652 nan 8.210 nan 0.000 0.475 374 C N 6.193 125.501 119.300 0.013 0.000 2.848 374 C HA 0.397 4.858 4.460 0.000 0.000 0.317 374 C C 1.259 176.252 174.990 0.005 0.000 1.260 374 C CA -0.483 58.542 59.018 0.011 0.000 1.656 374 C CB 1.899 29.640 27.740 0.002 0.000 2.174 374 C HN 0.832 nan 8.230 nan 0.000 0.479 375 N N 0.784 119.488 118.700 0.006 0.000 2.288 375 N HA 0.033 4.773 4.740 0.000 0.000 0.199 375 N C 0.008 175.514 175.510 -0.006 0.000 1.043 375 N CA 1.088 54.138 53.050 0.001 0.000 0.947 375 N CB -0.327 38.162 38.487 0.004 0.000 1.140 375 N HN 0.546 nan 8.380 nan 0.000 0.490 376 V N 4.296 124.205 119.914 -0.010 0.000 2.617 376 V HA 0.101 4.221 4.120 0.000 0.000 0.304 376 V C -1.997 174.075 176.094 -0.036 0.000 1.040 376 V CA -0.708 61.581 62.300 -0.019 0.000 1.149 376 V CB 0.587 32.398 31.823 -0.020 0.000 0.914 376 V HN 0.426 nan 8.190 nan 0.000 0.487 377 P HA 0.317 nan 4.420 nan 0.000 0.275 377 P C 0.205 177.435 177.300 -0.116 0.000 1.228 377 P CA 0.623 63.685 63.100 -0.063 0.000 0.786 377 P CB 0.940 32.611 31.700 -0.048 0.000 0.927 378 G N 1.571 110.304 108.800 -0.111 0.000 3.144 378 G HA2 0.051 4.011 3.960 0.000 0.000 0.247 378 G HA3 0.051 4.011 3.960 0.000 0.000 0.247 378 G C -0.615 174.201 174.900 -0.141 0.000 0.899 378 G CA -0.325 44.685 45.100 -0.150 0.000 0.822 378 G HN 0.656 nan 8.290 nan 0.000 0.362 379 S N 1.637 117.281 115.700 -0.093 0.000 2.548 379 S HA 0.591 5.061 4.470 0.000 0.000 0.278 379 S C 1.035 175.608 174.600 -0.044 0.000 1.150 379 S CA 0.021 58.182 58.200 -0.066 0.000 0.907 379 S CB 1.684 64.857 63.200 -0.046 0.000 1.108 379 S HN 1.119 nan 8.310 nan 0.000 0.459 380 S N 1.329 117.009 115.700 -0.033 0.000 2.429 380 S HA -0.224 4.246 4.470 0.000 0.000 0.251 380 S C 1.721 176.311 174.600 -0.017 0.000 1.104 380 S CA 1.961 60.149 58.200 -0.019 0.000 1.130 380 S CB -0.576 62.620 63.200 -0.006 0.000 1.000 380 S HN 0.624 nan 8.310 nan 0.000 0.449 381 L N 0.724 121.938 121.223 -0.015 0.000 1.973 381 L HA -0.100 4.240 4.340 0.000 0.000 0.208 381 L C 2.291 179.150 176.870 -0.018 0.000 1.073 381 L CA 1.181 56.013 54.840 -0.014 0.000 0.746 381 L CB -0.834 41.221 42.059 -0.007 0.000 0.891 381 L HN 0.214 nan 8.230 nan 0.000 0.433 382 V N -0.369 119.532 119.914 -0.022 0.000 2.636 382 V HA -0.294 3.827 4.120 0.000 0.000 0.258 382 V C 2.509 178.588 176.094 -0.026 0.000 1.092 382 V CA 1.508 63.793 62.300 -0.025 0.000 1.110 382 V CB -1.054 30.748 31.823 -0.035 0.000 0.685 382 V HN 0.398 nan 8.190 nan 0.000 0.481 383 R N 0.708 121.191 120.500 -0.027 0.000 2.082 383 R HA -0.070 4.270 4.340 0.000 0.000 0.218 383 R C 2.166 178.457 176.300 -0.016 0.000 1.171 383 R CA 1.538 57.623 56.100 -0.024 0.000 0.914 383 R CB -0.492 29.794 30.300 -0.024 0.000 0.806 383 R HN 0.524 nan 8.270 nan 0.000 0.453 384 E N 1.030 121.222 120.200 -0.014 0.000 2.515 384 E HA -0.009 4.341 4.350 0.000 0.000 0.201 384 E C -0.202 176.389 176.600 -0.014 0.000 1.071 384 E CA 0.089 56.482 56.400 -0.011 0.000 0.880 384 E CB 0.147 29.841 29.700 -0.011 0.000 0.828 384 E HN 0.111 nan 8.360 nan 0.000 0.540 385 S N 1.940 117.631 115.700 -0.016 0.000 2.455 385 S HA 0.008 4.479 4.470 0.000 0.000 0.278 385 S C 0.526 175.119 174.600 -0.011 0.000 1.216 385 S CA -0.453 57.737 58.200 -0.017 0.000 1.055 385 S CB 0.700 63.891 63.200 -0.016 0.000 0.939 385 S HN 0.174 nan 8.310 nan 0.000 0.494 386 D N 2.322 122.718 120.400 -0.007 0.000 2.389 386 D HA -0.000 4.640 4.640 0.000 0.000 0.221 386 D C 0.214 176.513 176.300 -0.001 0.000 0.974 386 D CA 1.038 55.038 54.000 -0.001 0.000 0.923 386 D CB 0.055 40.859 40.800 0.006 0.000 0.892 386 D HN 0.347 nan 8.370 nan 0.000 0.518 387 L N -1.374 119.846 121.223 -0.004 0.000 2.671 387 L HA 0.585 4.926 4.340 0.000 0.000 0.259 387 L C -1.469 175.398 176.870 -0.005 0.000 1.021 387 L CA -0.887 53.951 54.840 -0.003 0.000 0.871 387 L CB 2.369 44.427 42.059 -0.001 0.000 1.472 387 L HN -0.244 nan 8.230 nan 0.000 0.410 388 A N 2.225 125.043 122.820 -0.003 0.000 2.513 388 A HA 0.665 4.985 4.320 0.000 0.000 0.285 388 A C -1.595 175.988 177.584 -0.002 0.000 1.047 388 A CA -0.297 51.737 52.037 -0.004 0.000 0.864 388 A CB 0.820 19.815 19.000 -0.010 0.000 1.373 388 A HN 0.538 nan 8.150 nan 0.000 0.403 389 L N 3.564 124.788 121.223 0.002 0.000 2.387 389 L HA 0.361 4.702 4.340 0.000 0.000 0.259 389 L C 0.030 176.901 176.870 0.001 0.000 1.050 389 L CA -0.712 54.129 54.840 0.003 0.000 0.922 389 L CB 0.749 42.813 42.059 0.009 0.000 1.280 389 L HN 0.707 nan 8.230 nan 0.000 0.449 390 M N 1.049 120.647 119.600 -0.004 0.000 2.164 390 M HA -0.055 4.425 4.480 0.000 0.000 0.270 390 M C 1.634 177.931 176.300 -0.005 0.000 1.154 390 M CA 0.966 56.263 55.300 -0.005 0.000 1.106 390 M CB 0.218 32.813 32.600 -0.008 0.000 1.341 390 M HN 0.632 nan 8.290 nan 0.000 0.416 391 T N -3.046 111.504 114.554 -0.005 0.000 3.000 391 T HA 0.210 4.560 4.350 0.000 0.000 0.248 391 T C 0.555 175.247 174.700 -0.013 0.000 1.034 391 T CA 0.294 62.389 62.100 -0.008 0.000 1.060 391 T CB -0.005 68.860 68.868 -0.004 0.000 0.983 391 T HN 0.627 nan 8.240 nan 0.000 0.482 392 N N 1.060 119.754 118.700 -0.011 0.000 2.741 392 N HA -0.197 4.543 4.740 0.000 0.000 0.250 392 N C 1.048 176.544 175.510 -0.023 0.000 1.115 392 N CA 0.793 53.834 53.050 -0.014 0.000 0.724 392 N CB -1.414 37.063 38.487 -0.017 0.000 1.090 392 N HN 0.674 nan 8.380 nan 0.000 0.558 393 A N -0.074 122.735 122.820 -0.017 0.000 1.854 393 A HA 0.467 4.787 4.320 0.000 0.000 0.214 393 A C 1.345 178.914 177.584 -0.025 0.000 1.192 393 A CA 2.224 54.247 52.037 -0.024 0.000 0.611 393 A CB -0.195 18.798 19.000 -0.011 0.000 0.832 393 A HN 1.267 nan 8.150 nan 0.000 0.442 394 G N -2.516 106.287 108.800 0.005 0.000 2.347 394 G HA2 0.374 4.335 3.960 0.000 0.000 0.341 394 G HA3 0.374 4.335 3.960 0.000 0.000 0.341 394 G C -0.253 174.671 174.900 0.040 0.000 1.287 394 G CA -0.244 44.886 45.100 0.051 0.000 0.984 394 G HN 1.050 nan 8.290 nan 0.000 0.526 395 T N -0.960 113.628 114.554 0.055 0.000 2.897 395 T HA 0.634 4.985 4.350 0.000 0.000 0.294 395 T C -0.023 174.628 174.700 -0.082 0.000 1.004 395 T CA -0.280 61.801 62.100 -0.031 0.000 1.106 395 T CB 2.059 70.890 68.868 -0.062 0.000 0.949 395 T HN 0.546 nan 8.240 nan 0.000 0.520 396 E N 1.765 121.872 120.200 -0.156 0.000 2.174 396 E HA 0.236 4.586 4.350 0.000 0.000 0.282 396 E C 0.394 176.719 176.600 -0.459 0.000 0.992 396 E CA -0.751 55.530 56.400 -0.199 0.000 0.803 396 E CB 0.986 30.606 29.700 -0.133 0.000 1.090 396 E HN 0.474 nan 8.360 nan 0.000 0.396 397 I N 1.907 122.198 120.570 -0.466 0.000 2.512 397 I HA 0.022 4.192 4.170 0.000 0.000 0.247 397 I C 1.473 177.284 176.117 -0.511 0.000 1.094 397 I CA 0.705 61.497 61.300 -0.847 0.000 1.427 397 I CB -1.308 35.983 38.000 -1.182 0.000 1.149 397 I HN 0.544 nan 8.210 nan 0.000 0.438 398 G N 0.738 109.417 108.800 -0.202 0.000 2.614 398 G HA2 0.147 4.107 3.960 0.000 0.000 0.229 398 G HA3 0.147 4.107 3.960 0.000 0.000 0.229 398 G C 1.055 175.926 174.900 -0.048 0.000 1.232 398 G CA 0.086 45.158 45.100 -0.046 0.000 0.857 398 G HN 0.124 nan 8.290 nan 0.000 0.560 399 V N 2.071 121.987 119.914 0.004 0.000 2.725 399 V HA 0.109 4.229 4.120 0.000 0.000 0.247 399 V C 2.193 178.303 176.094 0.026 0.000 1.058 399 V CA 1.399 63.729 62.300 0.049 0.000 1.080 399 V CB -0.696 31.186 31.823 0.098 0.000 0.713 399 V HN 0.922 nan 8.190 nan 0.000 0.465 400 A N 1.357 124.178 122.820 0.001 0.000 2.797 400 A HA 0.372 4.692 4.320 0.000 0.000 0.296 400 A C 0.793 178.363 177.584 -0.024 0.000 1.580 400 A CA -0.033 51.992 52.037 -0.021 0.000 1.277 400 A CB -0.720 18.259 19.000 -0.035 0.000 1.101 400 A HN 0.389 nan 8.150 nan 0.000 0.562 401 S N 1.625 117.313 115.700 -0.019 0.000 2.561 401 S HA 0.240 4.710 4.470 0.000 0.000 0.294 401 S C 1.369 175.968 174.600 -0.003 0.000 1.294 401 S CA 0.570 58.770 58.200 -0.001 0.000 1.055 401 S CB 0.439 63.654 63.200 0.026 0.000 0.819 401 S HN 0.956 nan 8.310 nan 0.000 0.503 402 T N 0.333 114.902 114.554 0.025 0.000 3.095 402 T HA 0.186 4.536 4.350 0.000 0.000 0.131 402 T C 1.558 176.304 174.700 0.078 0.000 0.848 402 T CA -0.274 61.847 62.100 0.035 0.000 0.773 402 T CB -0.428 68.427 68.868 -0.022 0.000 1.791 402 T HN 0.532 nan 8.240 nan 0.000 0.311 403 K N 2.327 122.743 120.400 0.026 0.000 2.173 403 K HA -0.076 4.244 4.320 0.000 0.000 0.207 403 K C 2.267 178.891 176.600 0.040 0.000 1.046 403 K CA 1.788 58.086 56.287 0.019 0.000 0.929 403 K CB -0.736 31.761 32.500 -0.005 0.000 0.720 403 K HN 0.430 nan 8.250 nan 0.000 0.453 404 A N 0.565 123.420 122.820 0.058 0.000 2.066 404 A HA -0.040 4.281 4.320 0.000 0.000 0.218 404 A C 1.799 179.451 177.584 0.114 0.000 1.157 404 A CA 0.792 52.868 52.037 0.065 0.000 0.670 404 A CB -0.554 18.481 19.000 0.058 0.000 0.804 404 A HN 0.528 nan 8.150 nan 0.000 0.453 405 F N 1.224 121.173 119.950 -0.001 0.000 2.104 405 F HA -0.050 4.477 4.527 0.001 0.000 0.288 405 F C 2.419 178.234 175.800 0.025 0.000 1.107 405 F CA 2.129 60.135 58.000 0.011 0.000 1.208 405 F CB -0.939 38.061 39.000 -0.000 0.000 1.033 405 F HN 0.203 nan 8.300 nan 0.000 0.478 406 T N 0.267 114.767 114.554 -0.090 0.000 2.564 406 T HA -0.386 3.964 4.350 0.000 0.000 0.264 406 T C 2.031 176.635 174.700 -0.161 0.000 1.100 406 T CA 3.266 65.270 62.100 -0.160 0.000 1.171 406 T CB -1.552 67.304 68.868 -0.020 0.000 0.863 406 T HN 0.604 nan 8.240 nan 0.000 0.430 407 T N 1.437 115.942 114.554 -0.080 0.000 2.649 407 T HA -0.331 4.020 4.350 0.000 0.000 0.268 407 T C 1.896 176.551 174.700 -0.075 0.000 1.036 407 T CA 1.944 64.007 62.100 -0.062 0.000 1.157 407 T CB -0.814 68.036 68.868 -0.030 0.000 0.861 407 T HN 0.567 nan 8.240 nan 0.000 0.445 408 Q N 1.062 120.805 119.800 -0.094 0.000 1.927 408 Q HA -0.064 4.276 4.340 0.000 0.000 0.210 408 Q C 2.558 178.509 176.000 -0.083 0.000 1.001 408 Q CA 2.081 57.841 55.803 -0.072 0.000 0.862 408 Q CB -0.639 28.061 28.738 -0.063 0.000 0.934 408 Q HN 0.507 nan 8.270 nan 0.000 0.420 409 L N 0.267 121.373 121.223 -0.194 0.000 1.997 409 L HA -0.342 3.999 4.340 0.000 0.000 0.227 409 L C 2.598 179.453 176.870 -0.025 0.000 1.087 409 L CA 1.861 56.679 54.840 -0.037 0.000 0.797 409 L CB -1.289 40.701 42.059 -0.115 0.000 0.902 409 L HN 0.370 nan 8.230 nan 0.000 0.441 410 T N -0.723 113.785 114.554 -0.077 0.000 2.714 410 T HA -0.221 4.129 4.350 0.000 0.000 0.268 410 T C 1.830 176.475 174.700 -0.092 0.000 1.036 410 T CA 1.756 63.803 62.100 -0.089 0.000 1.148 410 T CB -0.294 68.534 68.868 -0.068 0.000 0.856 410 T HN 0.119 nan 8.240 nan 0.000 0.462 411 V N 0.790 120.671 119.914 -0.055 0.000 2.379 411 V HA 0.003 4.123 4.120 0.000 0.000 0.243 411 V C 2.420 178.510 176.094 -0.006 0.000 1.035 411 V CA 1.092 63.375 62.300 -0.028 0.000 1.035 411 V CB -0.540 31.281 31.823 -0.003 0.000 0.673 411 V HN 0.433 nan 8.190 nan 0.000 0.457 412 L N -0.671 120.568 121.223 0.026 0.000 2.043 412 L HA -0.246 4.094 4.340 0.000 0.000 0.212 412 L C 2.478 179.303 176.870 -0.074 0.000 1.075 412 L CA 1.216 56.118 54.840 0.104 0.000 0.752 412 L CB -0.759 41.404 42.059 0.172 0.000 0.891 412 L HN 0.306 nan 8.230 nan 0.000 0.432 413 L N -0.617 120.449 121.223 -0.262 0.000 1.970 413 L HA -0.240 4.100 4.340 0.000 0.000 0.212 413 L C 2.575 179.277 176.870 -0.279 0.000 1.071 413 L CA 1.868 56.389 54.840 -0.533 0.000 0.751 413 L CB -0.545 41.111 42.059 -0.671 0.000 0.889 413 L HN 0.161 nan 8.230 nan 0.000 0.432 414 M N -1.635 117.869 119.600 -0.160 0.000 2.110 414 M HA -0.309 4.171 4.480 0.000 0.000 0.257 414 M C 2.139 178.430 176.300 -0.016 0.000 1.071 414 M CA 2.123 57.375 55.300 -0.081 0.000 1.096 414 M CB -0.648 31.922 32.600 -0.050 0.000 1.300 414 M HN 0.339 nan 8.290 nan 0.000 0.411 415 L N 0.092 121.346 121.223 0.052 0.000 2.129 415 L HA -0.175 4.165 4.340 0.000 0.000 0.212 415 L C 2.030 179.034 176.870 0.224 0.000 1.087 415 L CA 1.574 56.500 54.840 0.144 0.000 0.757 415 L CB -0.592 41.605 42.059 0.230 0.000 0.896 415 L HN 0.097 nan 8.230 nan 0.000 0.434 416 V N 0.078 120.092 119.914 0.166 0.000 2.216 416 V HA -0.321 3.799 4.120 0.000 0.000 0.242 416 V C 2.773 178.882 176.094 0.025 0.000 1.042 416 V CA 1.948 64.299 62.300 0.084 0.000 0.991 416 V CB -1.424 30.198 31.823 -0.335 0.000 0.633 416 V HN 0.614 nan 8.190 nan 0.000 0.449 417 A N -0.164 122.610 122.820 -0.076 0.000 1.971 417 A HA -0.351 3.969 4.320 0.000 0.000 0.222 417 A C 2.177 179.761 177.584 -0.001 0.000 1.182 417 A CA 2.760 54.767 52.037 -0.051 0.000 0.649 417 A CB -0.569 18.383 19.000 -0.081 0.000 0.818 417 A HN 0.523 nan 8.150 nan 0.000 0.458 418 K N -0.445 119.964 120.400 0.016 0.000 2.243 418 K HA 0.194 4.514 4.320 0.000 0.000 0.201 418 K C 1.613 178.238 176.600 0.041 0.000 1.051 418 K CA 0.826 57.128 56.287 0.024 0.000 0.970 418 K CB -0.383 32.130 32.500 0.021 0.000 0.755 418 K HN 0.459 nan 8.250 nan 0.000 0.465 419 L N 0.239 121.504 121.223 0.071 0.000 2.217 419 L HA -0.075 4.265 4.340 0.000 0.000 0.211 419 L C 2.332 179.239 176.870 0.062 0.000 1.107 419 L CA 1.025 55.909 54.840 0.073 0.000 0.783 419 L CB -0.480 41.651 42.059 0.120 0.000 0.919 419 L HN 0.291 nan 8.230 nan 0.000 0.442 420 S N 0.296 116.033 115.700 0.061 0.000 2.378 420 S HA -0.284 4.186 4.470 0.000 0.000 0.221 420 S C 2.218 176.841 174.600 0.038 0.000 1.037 420 S CA 1.759 59.988 58.200 0.048 0.000 1.069 420 S CB -0.187 63.033 63.200 0.034 0.000 1.006 420 S HN 0.249 nan 8.310 nan 0.000 0.423 421 K N 0.570 120.991 120.400 0.035 0.000 2.097 421 K HA -0.045 4.275 4.320 0.000 0.000 0.206 421 K C 2.341 178.956 176.600 0.025 0.000 1.049 421 K CA 1.425 57.731 56.287 0.032 0.000 0.933 421 K CB -0.651 31.869 32.500 0.032 0.000 0.717 421 K HN 0.527 nan 8.250 nan 0.000 0.442 422 L N 1.330 122.568 121.223 0.025 0.000 2.072 422 L HA -0.152 4.188 4.340 0.000 0.000 0.205 422 L C 2.752 179.634 176.870 0.019 0.000 1.079 422 L CA 1.395 56.247 54.840 0.020 0.000 0.752 422 L CB -0.343 41.727 42.059 0.020 0.000 0.906 422 L HN 0.170 nan 8.230 nan 0.000 0.436 423 K N -0.009 120.406 120.400 0.025 0.000 2.032 423 K HA -0.147 4.173 4.320 0.000 0.000 0.209 423 K C 0.965 177.576 176.600 0.019 0.000 1.048 423 K CA 1.655 57.956 56.287 0.023 0.000 0.927 423 K CB -0.133 32.385 32.500 0.031 0.000 0.712 423 K HN 0.437 nan 8.250 nan 0.000 0.441 424 G N 0.484 109.296 108.800 0.020 0.000 2.223 424 G HA2 -0.016 3.944 3.960 0.000 0.000 0.200 424 G HA3 -0.016 3.944 3.960 0.000 0.000 0.200 424 G C -0.342 174.568 174.900 0.017 0.000 1.061 424 G CA -0.340 44.769 45.100 0.016 0.000 0.790 424 G HN 0.156 nan 8.290 nan 0.000 0.498 425 L N -0.288 120.947 121.223 0.020 0.000 2.751 425 L HA 0.581 4.921 4.340 0.000 0.000 0.241 425 L C 0.493 177.371 176.870 0.014 0.000 1.146 425 L CA -0.975 53.876 54.840 0.019 0.000 0.879 425 L CB 0.512 42.586 42.059 0.025 0.000 1.687 425 L HN 0.148 nan 8.230 nan 0.000 0.527 426 D N -0.258 120.147 120.400 0.007 0.000 2.351 426 D HA 0.135 4.775 4.640 0.000 0.000 0.251 426 D C 0.209 176.509 176.300 -0.000 0.000 1.137 426 D CA 0.061 54.058 54.000 -0.005 0.000 0.879 426 D CB 2.011 42.801 40.800 -0.017 0.000 1.181 426 D HN 0.560 nan 8.370 nan 0.000 0.448 427 A N 2.894 125.713 122.820 -0.002 0.000 2.169 427 A HA -0.074 4.246 4.320 0.000 0.000 0.212 427 A C 2.074 179.647 177.584 -0.020 0.000 1.153 427 A CA 0.963 53.032 52.037 0.052 0.000 0.756 427 A CB -0.347 18.732 19.000 0.132 0.000 0.813 427 A HN 0.641 nan 8.150 nan 0.000 0.471 428 S N 1.159 116.763 115.700 -0.161 0.000 2.380 428 S HA -0.277 4.194 4.470 0.000 0.000 0.229 428 S C 1.788 176.330 174.600 -0.097 0.000 1.043 428 S CA 1.647 59.703 58.200 -0.240 0.000 1.038 428 S CB -1.032 62.075 63.200 -0.155 0.000 0.872 428 S HN 0.569 nan 8.310 nan 0.000 0.456 429 I N 2.384 122.941 120.570 -0.022 0.000 2.036 429 I HA -0.259 3.911 4.170 0.000 0.000 0.231 429 I C 2.842 178.988 176.117 0.049 0.000 1.044 429 I CA 2.120 63.423 61.300 0.005 0.000 1.315 429 I CB -0.981 37.023 38.000 0.008 0.000 1.051 429 I HN 0.416 nan 8.210 nan 0.000 0.391 430 E N 0.732 120.981 120.200 0.081 0.000 2.200 430 E HA -0.353 3.997 4.350 0.000 0.000 0.211 430 E C 2.038 178.704 176.600 0.110 0.000 1.048 430 E CA 2.283 58.728 56.400 0.076 0.000 0.851 430 E CB -0.165 29.580 29.700 0.075 0.000 0.747 430 E HN 0.534 nan 8.360 nan 0.000 0.462 431 H N 0.769 119.821 119.070 -0.031 0.000 2.280 431 H HA -0.127 4.429 4.556 0.000 0.000 0.294 431 H C 1.887 177.170 175.328 -0.075 0.000 1.064 431 H CA 1.874 57.889 56.048 -0.055 0.000 1.208 431 H CB -0.884 28.742 29.762 -0.227 0.000 1.365 431 H HN 0.296 nan 8.280 nan 0.000 0.511 432 D N 0.293 120.675 120.400 -0.031 0.000 2.170 432 D HA -0.172 4.469 4.640 0.000 0.000 0.193 432 D C 2.223 178.548 176.300 0.042 0.000 1.004 432 D CA 1.502 55.482 54.000 -0.032 0.000 0.860 432 D CB -0.317 40.459 40.800 -0.039 0.000 0.931 432 D HN 0.283 nan 8.370 nan 0.000 0.448 433 I N 0.236 120.811 120.570 0.008 0.000 2.039 433 I HA -0.304 3.866 4.170 0.000 0.000 0.233 433 I C 2.343 178.454 176.117 -0.011 0.000 1.040 433 I CA 1.144 62.417 61.300 -0.046 0.000 1.308 433 I CB -0.771 37.172 38.000 -0.094 0.000 1.035 433 I HN -0.013 nan 8.210 nan 0.000 0.392 434 V N 0.210 120.135 119.914 0.018 0.000 2.453 434 V HA -0.298 3.822 4.120 0.000 0.000 0.252 434 V C 2.231 178.352 176.094 0.045 0.000 1.068 434 V CA 1.939 64.246 62.300 0.012 0.000 1.070 434 V CB -1.344 30.481 31.823 0.004 0.000 0.664 434 V HN 0.413 nan 8.190 nan 0.000 0.461 435 H N 0.208 119.255 119.070 -0.038 0.000 2.568 435 H HA 0.056 4.612 4.556 0.000 0.000 0.281 435 H C 1.927 177.236 175.328 -0.032 0.000 1.028 435 H CA 1.122 57.154 56.048 -0.026 0.000 1.199 435 H CB -0.259 29.503 29.762 0.001 0.000 1.352 435 H HN 0.480 nan 8.280 nan 0.000 0.605 436 G N -1.293 107.540 108.800 0.054 0.000 2.881 436 G HA2 0.020 3.980 3.960 0.000 0.000 0.198 436 G HA3 0.020 3.980 3.960 0.000 0.000 0.198 436 G C 1.523 176.408 174.900 -0.026 0.000 1.081 436 G CA -0.126 44.978 45.100 0.007 0.000 0.787 436 G HN 0.250 nan 8.290 nan 0.000 0.622 437 L N 0.627 121.822 121.223 -0.046 0.000 2.013 437 L HA -0.194 4.146 4.340 0.000 0.000 0.212 437 L C 2.905 179.746 176.870 -0.048 0.000 1.073 437 L CA 1.869 56.674 54.840 -0.058 0.000 0.753 437 L CB -0.385 41.628 42.059 -0.077 0.000 0.890 437 L HN 0.291 nan 8.230 nan 0.000 0.432 438 Q N -0.303 119.462 119.800 -0.058 0.000 2.368 438 Q HA -0.212 4.128 4.340 0.000 0.000 0.210 438 Q C 1.898 177.866 176.000 -0.054 0.000 0.982 438 Q CA 1.446 57.208 55.803 -0.068 0.000 0.884 438 Q CB 0.055 28.729 28.738 -0.107 0.000 0.933 438 Q HN 0.563 nan 8.270 nan 0.000 0.460 439 A N -0.296 122.498 122.820 -0.043 0.000 2.169 439 A HA 0.027 4.348 4.320 0.000 0.000 0.210 439 A C 1.638 179.210 177.584 -0.020 0.000 1.168 439 A CA 0.026 52.042 52.037 -0.035 0.000 0.813 439 A CB -0.182 18.796 19.000 -0.037 0.000 0.861 439 A HN 0.421 nan 8.150 nan 0.000 0.481 440 L N 1.242 122.457 121.223 -0.014 0.000 1.980 440 L HA -0.162 4.178 4.340 0.000 0.000 0.232 440 L C -0.894 175.999 176.870 0.038 0.000 1.092 440 L CA 3.083 57.932 54.840 0.015 0.000 0.808 440 L CB -1.586 40.475 42.059 0.003 0.000 0.908 440 L HN 0.165 nan 8.230 nan 0.000 0.442 441 P HA -0.160 nan 4.420 nan 0.000 0.218 441 P C 2.001 179.323 177.300 0.037 0.000 1.146 441 P CA 1.746 64.861 63.100 0.025 0.000 0.813 441 P CB -0.144 31.559 31.700 0.004 0.000 0.778 442 S N -0.426 115.289 115.700 0.025 0.000 2.398 442 S HA -0.235 4.235 4.470 0.000 0.000 0.220 442 S C 2.010 176.648 174.600 0.063 0.000 1.038 442 S CA 1.588 59.804 58.200 0.028 0.000 1.080 442 S CB -0.544 62.659 63.200 0.005 0.000 1.039 442 S HN -0.106 nan 8.310 nan 0.000 0.419 443 R N 1.133 121.678 120.500 0.076 0.000 2.094 443 R HA 0.040 4.381 4.340 0.000 0.000 0.239 443 R C 2.297 178.776 176.300 0.298 0.000 1.137 443 R CA 1.913 58.112 56.100 0.166 0.000 0.943 443 R CB -1.199 29.113 30.300 0.020 0.000 0.850 443 R HN 0.562 nan 8.270 nan 0.000 0.433 444 I N 0.384 121.135 120.570 0.300 0.000 2.113 444 I HA -0.401 3.769 4.170 0.000 0.000 0.242 444 I C 2.387 178.539 176.117 0.058 0.000 1.057 444 I CA 2.013 63.395 61.300 0.135 0.000 1.314 444 I CB -0.471 37.576 38.000 0.078 0.000 1.022 444 I HN 0.343 nan 8.210 nan 0.000 0.408 445 E N 0.587 120.827 120.200 0.067 0.000 2.058 445 E HA -0.327 4.023 4.350 0.000 0.000 0.194 445 E C 2.137 178.777 176.600 0.067 0.000 0.997 445 E CA 1.620 58.054 56.400 0.058 0.000 0.801 445 E CB -0.043 29.689 29.700 0.053 0.000 0.746 445 E HN 0.318 nan 8.360 nan 0.000 0.450 446 Q N -0.203 119.647 119.800 0.083 0.000 2.291 446 Q HA -0.084 4.256 4.340 0.000 0.000 0.205 446 Q C 1.830 177.879 176.000 0.082 0.000 0.970 446 Q CA 1.338 57.191 55.803 0.083 0.000 0.876 446 Q CB -0.020 28.771 28.738 0.088 0.000 0.935 446 Q HN 0.403 nan 8.270 nan 0.000 0.455 447 M N -1.290 118.353 119.600 0.073 0.000 2.257 447 M HA 0.018 4.499 4.480 0.000 0.000 0.260 447 M C 1.473 177.757 176.300 -0.026 0.000 1.102 447 M CA 0.852 56.155 55.300 0.005 0.000 1.169 447 M CB -0.008 32.512 32.600 -0.134 0.000 1.323 447 M HN 0.266 nan 8.290 nan 0.000 0.447 448 L N 0.111 121.296 121.223 -0.063 0.000 2.302 448 L HA -0.310 4.030 4.340 0.000 0.000 0.218 448 L C 2.296 179.213 176.870 0.078 0.000 1.100 448 L CA 1.170 55.955 54.840 -0.092 0.000 0.774 448 L CB -0.771 41.214 42.059 -0.123 0.000 0.896 448 L HN 0.385 nan 8.230 nan 0.000 0.439 449 S N -1.332 114.419 115.700 0.086 0.000 2.357 449 S HA -0.097 4.374 4.470 0.000 0.000 0.221 449 S C 0.974 175.627 174.600 0.088 0.000 1.031 449 S CA 0.808 59.074 58.200 0.110 0.000 0.982 449 S CB -0.060 63.191 63.200 0.085 0.000 0.853 449 S HN 0.454 nan 8.310 nan 0.000 0.458 450 Q N 1.723 121.556 119.800 0.055 0.000 2.664 450 Q HA 0.143 4.484 4.340 0.000 0.000 0.223 450 Q C -1.084 174.932 176.000 0.026 0.000 1.298 450 Q CA 0.045 55.870 55.803 0.037 0.000 0.965 450 Q CB 0.092 28.845 28.738 0.024 0.000 1.510 450 Q HN 0.303 nan 8.270 nan 0.000 0.567 451 D N 0.682 121.109 120.400 0.045 0.000 2.643 451 D HA 0.025 4.665 4.640 0.000 0.000 0.244 451 D C 0.571 176.855 176.300 -0.026 0.000 1.257 451 D CA -0.121 53.896 54.000 0.029 0.000 0.831 451 D CB 0.548 41.420 40.800 0.121 0.000 1.043 451 D HN -0.024 nan 8.370 nan 0.000 0.488 452 K N 0.364 120.751 120.400 -0.020 0.000 2.437 452 K HA 0.209 4.530 4.320 0.000 0.000 0.198 452 K C 0.767 177.338 176.600 -0.049 0.000 1.024 452 K CA 0.148 56.414 56.287 -0.034 0.000 1.148 452 K CB 0.227 32.720 32.500 -0.012 0.000 0.860 452 K HN 0.194 nan 8.250 nan 0.000 0.515 453 R N -1.376 119.088 120.500 -0.061 0.000 2.507 453 R HA 0.352 4.692 4.340 0.000 0.000 0.230 453 R C 1.743 177.991 176.300 -0.087 0.000 0.897 453 R CA -0.006 56.052 56.100 -0.070 0.000 1.006 453 R CB 0.493 30.747 30.300 -0.077 0.000 1.341 453 R HN -0.001 nan 8.270 nan 0.000 0.604 454 I N 0.630 121.145 120.570 -0.091 0.000 3.081 454 I HA 0.002 4.172 4.170 0.000 0.000 0.274 454 I C 2.189 178.182 176.117 -0.207 0.000 1.178 454 I CA 0.726 61.978 61.300 -0.079 0.000 1.460 454 I CB 0.044 38.054 38.000 0.017 0.000 1.137 454 I HN 0.210 nan 8.210 nan 0.000 0.443 455 E N 1.941 121.922 120.200 -0.365 0.000 2.072 455 E HA -0.150 4.201 4.350 0.000 0.000 0.190 455 E C 2.128 178.560 176.600 -0.280 0.000 0.982 455 E CA 1.199 57.191 56.400 -0.679 0.000 0.803 455 E CB 0.129 29.490 29.700 -0.565 0.000 0.755 455 E HN 0.411 nan 8.360 nan 0.000 0.453 456 A N 0.223 122.947 122.820 -0.160 0.000 2.208 456 A HA 0.009 4.329 4.320 0.000 0.000 0.209 456 A C 1.789 179.344 177.584 -0.048 0.000 1.161 456 A CA 0.245 52.235 52.037 -0.078 0.000 0.782 456 A CB -0.050 18.918 19.000 -0.053 0.000 0.816 456 A HN 0.221 nan 8.150 nan 0.000 0.477 457 L N -0.671 120.511 121.223 -0.069 0.000 2.068 457 L HA 0.103 4.443 4.340 0.000 0.000 0.204 457 L C 2.750 179.576 176.870 -0.074 0.000 1.076 457 L CA 1.804 56.622 54.840 -0.037 0.000 0.753 457 L CB -0.897 41.121 42.059 -0.069 0.000 0.910 457 L HN 0.342 nan 8.230 nan 0.000 0.439 458 A N -0.901 121.834 122.820 -0.141 0.000 2.234 458 A HA -0.205 4.116 4.320 0.000 0.000 0.216 458 A C 1.954 179.565 177.584 0.045 0.000 1.167 458 A CA 1.260 53.225 52.037 -0.120 0.000 0.698 458 A CB -0.544 18.429 19.000 -0.046 0.000 0.779 458 A HN 0.561 nan 8.150 nan 0.000 0.475 459 E N 1.019 121.246 120.200 0.046 0.000 2.002 459 E HA -0.181 4.169 4.350 0.000 0.000 0.205 459 E C 0.135 176.815 176.600 0.134 0.000 1.020 459 E CA 1.179 57.623 56.400 0.073 0.000 0.856 459 E CB -0.392 29.334 29.700 0.043 0.000 0.788 459 E HN 0.830 nan 8.360 nan 0.000 0.477 460 D N -0.647 119.853 120.400 0.166 0.000 2.470 460 D HA 0.119 4.759 4.640 0.000 0.000 0.226 460 D C -0.549 175.941 176.300 0.316 0.000 1.196 460 D CA 0.076 54.187 54.000 0.185 0.000 0.979 460 D CB 0.058 40.953 40.800 0.159 0.000 1.059 460 D HN 0.163 nan 8.370 nan 0.000 0.515 461 F N 0.059 120.022 119.950 0.021 0.000 3.348 461 F HA -0.056 4.471 4.527 0.001 0.000 0.380 461 F C 1.779 177.602 175.800 0.038 0.000 1.182 461 F CA 0.149 58.153 58.000 0.007 0.000 0.790 461 F CB -0.249 38.721 39.000 -0.051 0.000 1.777 461 F HN 0.190 nan 8.300 nan 0.000 0.478 462 S N 0.456 116.264 115.700 0.179 0.000 2.363 462 S HA -0.239 4.231 4.470 0.000 0.000 0.218 462 S C 1.848 176.524 174.600 0.127 0.000 1.035 462 S CA 1.794 60.077 58.200 0.139 0.000 1.043 462 S CB -0.761 62.499 63.200 0.101 0.000 0.986 462 S HN 0.533 nan 8.310 nan 0.000 0.423 463 D N 2.350 122.787 120.400 0.062 0.000 2.144 463 D HA -0.118 4.522 4.640 0.000 0.000 0.199 463 D C 0.321 176.530 176.300 -0.151 0.000 0.984 463 D CA 0.772 54.764 54.000 -0.015 0.000 0.834 463 D CB -0.611 40.158 40.800 -0.051 0.000 0.955 463 D HN 0.184 nan 8.370 nan 0.000 0.465 464 K N 0.399 120.742 120.400 -0.095 0.000 2.518 464 K HA -0.034 4.286 4.320 0.000 0.000 0.276 464 K C 0.497 177.140 176.600 0.071 0.000 0.974 464 K CA 0.378 56.595 56.287 -0.116 0.000 0.986 464 K CB 0.051 32.438 32.500 -0.188 0.000 0.901 464 K HN 0.508 nan 8.250 nan 0.000 0.497 465 H N -0.837 118.215 119.070 -0.030 0.000 3.535 465 H HA 0.147 4.703 4.556 0.000 0.000 0.260 465 H C -0.071 175.095 175.328 -0.270 0.000 1.173 465 H CA -0.336 55.638 56.048 -0.123 0.000 1.168 465 H CB 0.780 30.424 29.762 -0.195 0.000 1.568 465 H HN 0.470 nan 8.280 nan 0.000 0.602 466 H N 0.580 119.756 119.070 0.176 0.000 2.710 466 H HA 0.765 5.321 4.556 0.000 0.000 0.361 466 H C -0.563 174.832 175.328 0.112 0.000 1.175 466 H CA -0.645 55.480 56.048 0.128 0.000 1.206 466 H CB 2.387 32.187 29.762 0.064 0.000 1.750 466 H HN 0.241 nan 8.280 nan 0.000 0.553 467 A N 1.679 124.659 122.820 0.266 0.000 2.565 467 A HA 0.428 4.748 4.320 0.000 0.000 0.298 467 A C -2.036 175.747 177.584 0.332 0.000 1.062 467 A CA -0.495 51.727 52.037 0.308 0.000 0.723 467 A CB 1.452 20.718 19.000 0.442 0.000 1.282 467 A HN 0.333 nan 8.150 nan 0.000 0.400 468 L N 2.011 123.462 121.223 0.380 0.000 2.356 468 L HA 0.847 5.188 4.340 0.000 0.000 0.277 468 L C -1.593 175.583 176.870 0.510 0.000 0.996 468 L CA -0.364 54.703 54.840 0.378 0.000 0.822 468 L CB 1.311 43.524 42.059 0.256 0.000 1.256 468 L HN 0.580 nan 8.230 nan 0.000 0.413 469 F N 4.772 124.789 119.950 0.112 0.000 2.482 469 F HA 0.655 5.182 4.527 0.000 0.000 0.331 469 F C -0.247 175.622 175.800 0.116 0.000 1.115 469 F CA -0.848 57.201 58.000 0.081 0.000 0.955 469 F CB 1.447 40.463 39.000 0.026 0.000 1.136 469 F HN 0.145 nan 8.300 nan 0.000 0.452 470 L N 2.260 123.607 121.223 0.207 0.000 2.341 470 L HA 1.018 5.358 4.340 0.000 0.000 0.267 470 L C 0.091 177.033 176.870 0.120 0.000 1.009 470 L CA -0.910 54.037 54.840 0.179 0.000 0.819 470 L CB 2.216 44.343 42.059 0.112 0.000 1.323 470 L HN 0.722 nan 8.230 nan 0.000 0.425 471 G N 0.747 109.630 108.800 0.139 0.000 2.646 471 G HA2 0.624 4.584 3.960 0.000 0.000 0.291 471 G HA3 0.624 4.584 3.960 0.000 0.000 0.291 471 G C -2.160 172.781 174.900 0.068 0.000 1.445 471 G CA -0.613 44.530 45.100 0.073 0.000 0.814 471 G HN 0.511 nan 8.290 nan 0.000 0.495 472 R N -0.443 120.051 120.500 -0.010 0.000 2.837 472 R HA 0.687 5.027 4.340 0.000 0.000 0.271 472 R C 0.838 177.043 176.300 -0.158 0.000 0.993 472 R CA 0.723 56.788 56.100 -0.058 0.000 0.931 472 R CB 1.881 32.148 30.300 -0.055 0.000 1.206 472 R HN 1.993 nan 8.270 nan 0.000 0.474 473 G N 2.240 110.867 108.800 -0.289 0.000 2.514 473 G HA2 -0.385 3.575 3.960 0.000 0.000 0.265 473 G HA3 -0.385 3.575 3.960 0.000 0.000 0.265 473 G C 0.012 174.325 174.900 -0.978 0.000 1.150 473 G CA 0.540 45.315 45.100 -0.542 0.000 0.959 473 G HN 0.789 nan 8.290 nan 0.000 0.556 474 D N 0.298 120.311 120.400 -0.646 0.000 2.349 474 D HA 0.195 4.835 4.640 0.000 0.000 0.224 474 D C 1.811 177.940 176.300 -0.286 0.000 1.029 474 D CA 1.135 54.819 54.000 -0.526 0.000 0.879 474 D CB 0.190 40.737 40.800 -0.422 0.000 0.906 474 D HN 0.349 nan 8.370 nan 0.000 0.528 475 Q N -0.794 118.872 119.800 -0.223 0.000 2.392 475 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 475 Q C 0.959 176.956 176.000 -0.004 0.000 0.917 475 Q CA 0.073 55.812 55.803 -0.106 0.000 0.939 475 Q CB -0.238 28.426 28.738 -0.123 0.000 1.063 475 Q HN 0.470 nan 8.270 nan 0.000 0.516 476 Y N 2.877 123.104 120.300 -0.121 0.000 2.070 476 Y HA -0.069 4.482 4.550 0.000 0.000 0.279 476 Y C -0.917 174.999 175.900 0.027 0.000 1.134 476 Y CA 0.999 59.091 58.100 -0.012 0.000 1.113 476 Y CB -1.422 37.065 38.460 0.044 0.000 0.981 476 Y HN 0.023 nan 8.280 nan 0.000 0.487 477 P HA -0.192 nan 4.420 nan 0.000 0.218 477 P C 1.704 178.905 177.300 -0.166 0.000 1.146 477 P CA 1.701 64.602 63.100 -0.332 0.000 0.813 477 P CB -0.084 31.522 31.700 -0.156 0.000 0.778 478 I N -0.701 119.828 120.570 -0.068 0.000 2.406 478 I HA -0.063 4.107 4.170 0.000 0.000 0.249 478 I C 2.204 178.317 176.117 -0.006 0.000 1.122 478 I CA 0.796 62.097 61.300 0.001 0.000 1.431 478 I CB -1.923 36.099 38.000 0.037 0.000 1.087 478 I HN -0.100 nan 8.210 nan 0.000 0.424 479 A N 0.878 123.703 122.820 0.009 0.000 2.024 479 A HA -0.143 4.178 4.320 0.000 0.000 0.220 479 A C 2.361 179.980 177.584 0.060 0.000 1.164 479 A CA 1.260 53.361 52.037 0.106 0.000 0.643 479 A CB -0.571 18.545 19.000 0.192 0.000 0.806 479 A HN 0.394 nan 8.150 nan 0.000 0.451 480 L N -1.511 119.647 121.223 -0.108 0.000 2.022 480 L HA -0.107 4.233 4.340 0.000 0.000 0.204 480 L C 2.567 179.305 176.870 -0.221 0.000 1.076 480 L CA 1.458 56.190 54.840 -0.181 0.000 0.749 480 L CB -0.849 41.062 42.059 -0.247 0.000 0.903 480 L HN 0.376 nan 8.230 nan 0.000 0.439 481 E N 1.058 121.117 120.200 -0.234 0.000 2.136 481 E HA -0.240 4.110 4.350 0.000 0.000 0.202 481 E C 2.028 178.479 176.600 -0.248 0.000 1.019 481 E CA 1.860 58.078 56.400 -0.303 0.000 0.819 481 E CB -0.544 28.898 29.700 -0.430 0.000 0.739 481 E HN 0.414 nan 8.360 nan 0.000 0.458 482 G N -0.456 108.261 108.800 -0.139 0.000 2.448 482 G HA2 -0.178 3.782 3.960 0.000 0.000 0.219 482 G HA3 -0.178 3.782 3.960 0.000 0.000 0.219 482 G C 1.624 176.103 174.900 -0.700 0.000 1.127 482 G CA 1.020 46.101 45.100 -0.032 0.000 0.766 482 G HN 0.465 nan 8.290 nan 0.000 0.552 483 A N 0.280 122.495 122.820 -1.008 0.000 1.872 483 A HA 0.193 4.513 4.320 0.000 0.000 0.214 483 A C 2.297 179.570 177.584 -0.518 0.000 1.187 483 A CA 1.419 52.790 52.037 -1.110 0.000 0.614 483 A CB -0.401 18.192 19.000 -0.679 0.000 0.826 483 A HN 0.367 nan 8.150 nan 0.000 0.442 484 L N -0.087 120.926 121.223 -0.351 0.000 2.027 484 L HA -0.103 4.237 4.340 0.000 0.000 0.206 484 L C 1.957 178.705 176.870 -0.203 0.000 1.074 484 L CA 1.943 56.647 54.840 -0.227 0.000 0.745 484 L CB -0.403 41.539 42.059 -0.195 0.000 0.898 484 L HN 0.163 nan 8.230 nan 0.000 0.433 485 K N -0.383 119.892 120.400 -0.209 0.000 2.442 485 K HA -0.090 4.231 4.320 0.000 0.000 0.198 485 K C 1.700 178.216 176.600 -0.139 0.000 1.044 485 K CA 0.849 57.045 56.287 -0.152 0.000 0.948 485 K CB -0.450 31.981 32.500 -0.116 0.000 0.762 485 K HN 0.310 nan 8.250 nan 0.000 0.472 486 L N 0.007 121.123 121.223 -0.179 0.000 2.628 486 L HA 0.117 4.457 4.340 0.000 0.000 0.229 486 L C 1.291 178.097 176.870 -0.108 0.000 1.137 486 L CA 0.751 55.526 54.840 -0.108 0.000 0.909 486 L CB 0.198 42.247 42.059 -0.017 0.000 1.137 486 L HN -0.104 nan 8.230 nan 0.000 0.470 487 K N -0.888 119.427 120.400 -0.142 0.000 2.344 487 K HA 0.148 4.469 4.320 0.000 0.000 0.229 487 K C 1.337 177.816 176.600 -0.201 0.000 1.112 487 K CA 0.163 56.382 56.287 -0.113 0.000 0.850 487 K CB -0.011 32.452 32.500 -0.062 0.000 1.311 487 K HN 0.041 nan 8.250 nan 0.000 0.448 488 E N 1.188 121.298 120.200 -0.151 0.000 2.476 488 E HA -0.198 4.153 4.350 0.000 0.000 0.206 488 E C 1.340 177.774 176.600 -0.277 0.000 1.079 488 E CA 1.214 57.528 56.400 -0.144 0.000 0.891 488 E CB -0.161 29.492 29.700 -0.078 0.000 0.821 488 E HN 0.430 nan 8.360 nan 0.000 0.572 489 I N -6.005 114.325 120.570 -0.400 0.000 4.983 489 I HA 0.109 4.280 4.170 0.000 0.000 0.346 489 I C 1.277 177.038 176.117 -0.593 0.000 1.261 489 I CA -0.174 60.843 61.300 -0.472 0.000 1.406 489 I CB 0.650 38.497 38.000 -0.256 0.000 1.529 489 I HN -0.151 nan 8.210 nan 0.000 0.524 490 S N -0.015 115.401 115.700 -0.474 0.000 2.499 490 S HA 0.190 4.660 4.470 0.000 0.000 0.225 490 S C 0.643 175.160 174.600 -0.138 0.000 1.050 490 S CA 0.424 58.477 58.200 -0.245 0.000 0.928 490 S CB -0.161 62.999 63.200 -0.066 0.000 0.803 490 S HN 0.516 nan 8.310 nan 0.000 0.506 491 Y N 0.277 120.571 120.300 -0.011 0.000 4.916 491 Y HA -0.214 4.336 4.550 0.001 0.000 0.247 491 Y C 0.318 176.205 175.900 -0.022 0.000 0.962 491 Y CA -0.316 57.766 58.100 -0.030 0.000 1.933 491 Y CB -2.465 35.967 38.460 -0.046 0.000 1.451 491 Y HN 0.284 nan 8.280 nan 0.000 0.539 492 I N 1.678 122.324 120.570 0.128 0.000 2.556 492 I HA -0.011 4.159 4.170 0.000 0.000 0.284 492 I C 1.340 177.551 176.117 0.156 0.000 1.114 492 I CA 0.002 61.386 61.300 0.140 0.000 1.418 492 I CB 0.503 38.615 38.000 0.186 0.000 1.394 492 I HN 0.248 nan 8.210 nan 0.000 0.552 493 H N 5.966 125.040 119.070 0.007 0.000 3.215 493 H HA 0.326 4.882 4.556 0.000 0.000 0.253 493 H C -0.249 175.125 175.328 0.076 0.000 1.102 493 H CA -0.653 55.407 56.048 0.020 0.000 1.482 493 H CB 0.385 30.146 29.762 -0.001 0.000 1.542 493 H HN 0.768 nan 8.280 nan 0.000 0.498 494 A N 5.232 128.169 122.820 0.195 0.000 2.318 494 A HA 0.323 4.644 4.320 0.000 0.000 0.324 494 A C -0.552 176.998 177.584 -0.055 0.000 1.170 494 A CA -0.737 51.317 52.037 0.029 0.000 0.810 494 A CB 1.223 20.144 19.000 -0.132 0.000 1.198 494 A HN 0.852 nan 8.150 nan 0.000 0.484 495 E N 1.714 121.873 120.200 -0.068 0.000 2.234 495 E HA 0.613 4.963 4.350 0.000 0.000 0.266 495 E C -0.650 175.894 176.600 -0.094 0.000 0.877 495 E CA -0.758 55.565 56.400 -0.129 0.000 0.758 495 E CB 1.812 31.402 29.700 -0.184 0.000 1.170 495 E HN 0.837 nan 8.360 nan 0.000 0.415 496 A N 4.055 126.785 122.820 -0.151 0.000 2.289 496 A HA 0.465 4.786 4.320 0.000 0.000 0.298 496 A C -1.599 175.999 177.584 0.023 0.000 1.208 496 A CA -0.200 51.831 52.037 -0.010 0.000 0.845 496 A CB 0.219 19.195 19.000 -0.041 0.000 1.125 496 A HN 0.547 nan 8.150 nan 0.000 0.517 497 Y N 1.142 121.574 120.300 0.221 0.000 2.346 497 Y HA 0.495 5.045 4.550 0.000 0.000 0.332 497 Y C 0.454 176.458 175.900 0.175 0.000 0.985 497 Y CA -1.001 57.210 58.100 0.186 0.000 1.112 497 Y CB 1.899 40.428 38.460 0.116 0.000 1.170 497 Y HN 0.865 nan 8.280 nan 0.000 0.447 498 A N 3.564 126.541 122.820 0.262 0.000 2.496 498 A HA 0.438 4.758 4.320 0.000 0.000 0.278 498 A C 1.485 179.070 177.584 0.001 0.000 1.137 498 A CA 0.558 52.548 52.037 -0.079 0.000 0.805 498 A CB -0.717 17.850 19.000 -0.721 0.000 1.077 498 A HN 1.268 nan 8.150 nan 0.000 0.513 499 A N 3.539 126.384 122.820 0.042 0.000 1.670 499 A HA -0.294 4.027 4.320 0.000 0.000 0.312 499 A C 2.190 179.768 177.584 -0.009 0.000 3.495 499 A CA 2.784 54.831 52.037 0.018 0.000 0.917 499 A CB -1.518 17.485 19.000 0.005 0.000 0.783 499 A HN 1.849 nan 8.150 nan 0.000 0.530 500 G N -2.168 106.624 108.800 -0.014 0.000 3.124 500 G HA2 0.283 4.243 3.960 0.000 0.000 0.212 500 G HA3 0.283 4.243 3.960 0.000 0.000 0.212 500 G C 0.947 175.887 174.900 0.067 0.000 1.181 500 G CA 0.773 45.876 45.100 0.005 0.000 0.803 500 G HN 0.567 nan 8.290 nan 0.000 0.529 501 E N -0.208 120.016 120.200 0.039 0.000 2.431 501 E HA 0.083 4.434 4.350 0.000 0.000 0.200 501 E C 2.207 178.807 176.600 -0.001 0.000 0.995 501 E CA -0.182 56.290 56.400 0.120 0.000 0.915 501 E CB 0.214 29.933 29.700 0.031 0.000 0.930 501 E HN 0.282 nan 8.360 nan 0.000 0.496 502 L N 1.544 122.681 121.223 -0.142 0.000 1.978 502 L HA -0.228 4.112 4.340 0.000 0.000 0.218 502 L C 2.209 178.985 176.870 -0.156 0.000 1.075 502 L CA 1.877 56.584 54.840 -0.222 0.000 0.767 502 L CB -0.750 41.205 42.059 -0.174 0.000 0.890 502 L HN -0.003 nan 8.230 nan 0.000 0.434 503 K N -1.129 119.162 120.400 -0.182 0.000 2.286 503 K HA -0.154 4.167 4.320 0.000 0.000 0.203 503 K C 1.403 177.880 176.600 -0.206 0.000 1.045 503 K CA 0.938 57.094 56.287 -0.219 0.000 0.935 503 K CB -0.261 32.063 32.500 -0.292 0.000 0.737 503 K HN 0.494 nan 8.250 nan 0.000 0.460 504 H N -0.961 118.061 119.070 -0.079 0.000 2.607 504 H HA 0.089 4.645 4.556 0.000 0.000 0.288 504 H C 1.226 176.518 175.328 -0.061 0.000 1.058 504 H CA 0.862 56.875 56.048 -0.058 0.000 1.178 504 H CB 0.515 30.250 29.762 -0.046 0.000 1.340 504 H HN 0.499 nan 8.280 nan 0.000 0.591 505 G N 0.786 109.588 108.800 0.003 0.000 3.432 505 G HA2 -0.206 3.754 3.960 0.000 0.000 0.188 505 G HA3 -0.206 3.754 3.960 0.000 0.000 0.188 505 G C -1.416 173.450 174.900 -0.057 0.000 2.301 505 G CA -0.255 44.837 45.100 -0.012 0.000 1.337 505 G HN 0.155 nan 8.290 nan 0.000 0.406 506 P HA -0.039 nan 4.420 nan 0.000 0.218 506 P C 1.718 178.925 177.300 -0.154 0.000 1.150 506 P CA 1.044 64.042 63.100 -0.170 0.000 0.841 506 P CB -0.108 31.234 31.700 -0.597 0.000 0.784 507 L N -1.632 119.495 121.223 -0.161 0.000 2.885 507 L HA 0.055 4.395 4.340 0.000 0.000 0.258 507 L C 1.438 178.264 176.870 -0.074 0.000 1.146 507 L CA 0.574 55.344 54.840 -0.117 0.000 0.922 507 L CB -1.094 40.900 42.059 -0.110 0.000 1.138 507 L HN -0.105 nan 8.230 nan 0.000 0.431 508 A N -1.596 121.187 122.820 -0.062 0.000 2.358 508 A HA 0.264 4.584 4.320 0.000 0.000 0.223 508 A C 1.743 179.304 177.584 -0.039 0.000 1.218 508 A CA -0.105 51.907 52.037 -0.043 0.000 0.942 508 A CB -0.129 18.852 19.000 -0.031 0.000 1.005 508 A HN 0.404 nan 8.150 nan 0.000 0.514 509 L N 0.624 121.824 121.223 -0.039 0.000 2.362 509 L HA 0.030 4.370 4.340 0.000 0.000 0.219 509 L C 0.133 176.966 176.870 -0.062 0.000 1.134 509 L CA 0.341 55.151 54.840 -0.049 0.000 0.807 509 L CB -0.171 41.874 42.059 -0.024 0.000 0.927 509 L HN 0.259 nan 8.230 nan 0.000 0.447 510 I N 2.117 122.660 120.570 -0.046 0.000 2.357 510 I HA -0.020 4.151 4.170 0.000 0.000 0.300 510 I C 0.481 176.573 176.117 -0.040 0.000 1.159 510 I CA 0.197 61.474 61.300 -0.039 0.000 1.339 510 I CB -0.906 37.074 38.000 -0.033 0.000 1.458 510 I HN 0.259 nan 8.210 nan 0.000 0.577 511 D N 5.741 126.114 120.400 -0.046 0.000 2.511 511 D HA 0.252 4.892 4.640 0.000 0.000 0.283 511 D C 1.032 177.315 176.300 -0.028 0.000 1.198 511 D CA -0.443 53.534 54.000 -0.038 0.000 1.097 511 D CB 0.824 41.598 40.800 -0.044 0.000 1.160 511 D HN 0.264 nan 8.370 nan 0.000 0.589 512 A N -0.886 121.921 122.820 -0.022 0.000 1.929 512 A HA -0.059 4.261 4.320 0.000 0.000 0.216 512 A C 0.663 178.239 177.584 -0.012 0.000 1.176 512 A CA 1.059 53.086 52.037 -0.017 0.000 0.628 512 A CB -0.224 18.769 19.000 -0.012 0.000 0.816 512 A HN 0.494 nan 8.150 nan 0.000 0.444 513 D N -0.312 120.081 120.400 -0.012 0.000 2.517 513 D HA 0.380 5.021 4.640 0.000 0.000 0.301 513 D C -0.857 175.442 176.300 -0.001 0.000 1.202 513 D CA 0.027 54.023 54.000 -0.007 0.000 0.910 513 D CB 0.888 41.681 40.800 -0.011 0.000 1.021 513 D HN 0.308 nan 8.370 nan 0.000 0.499 514 M N 2.425 122.026 119.600 0.003 0.000 2.067 514 M HA 0.341 4.821 4.480 0.000 0.000 0.286 514 M C -2.941 173.387 176.300 0.046 0.000 0.922 514 M CA -2.026 53.286 55.300 0.020 0.000 0.937 514 M CB 2.495 35.096 32.600 0.002 0.000 1.550 514 M HN -0.254 nan 8.290 nan 0.000 0.433 515 P HA 0.205 nan 4.420 nan 0.000 0.280 515 P C -1.180 176.229 177.300 0.182 0.000 1.300 515 P CA -0.177 62.984 63.100 0.102 0.000 0.785 515 P CB 0.610 32.138 31.700 -0.288 0.000 0.874 516 V N 5.986 126.031 119.914 0.218 0.000 2.334 516 V HA 0.219 4.340 4.120 0.000 0.000 0.281 516 V C 0.550 176.726 176.094 0.137 0.000 1.016 516 V CA -0.730 61.665 62.300 0.158 0.000 0.832 516 V CB 1.121 32.999 31.823 0.091 0.000 0.999 516 V HN 0.386 nan 8.190 nan 0.000 0.439 517 I N 6.249 126.780 120.570 -0.065 0.000 2.325 517 I HA 0.394 4.564 4.170 0.000 0.000 0.291 517 I C 0.105 176.045 176.117 -0.294 0.000 1.019 517 I CA -0.343 60.776 61.300 -0.302 0.000 1.302 517 I CB 1.243 38.594 38.000 -1.083 0.000 1.401 517 I HN 0.294 nan 8.210 nan 0.000 0.485 518 V N 6.493 126.341 119.914 -0.111 0.000 2.555 518 V HA 0.596 4.716 4.120 0.000 0.000 0.302 518 V C 0.043 176.099 176.094 -0.064 0.000 1.038 518 V CA -1.009 61.240 62.300 -0.084 0.000 0.887 518 V CB 1.916 33.698 31.823 -0.068 0.000 0.991 518 V HN 0.508 nan 8.190 nan 0.000 0.434 519 V N 0.878 120.724 119.914 -0.113 0.000 2.472 519 V HA 1.000 5.120 4.120 0.000 0.000 0.290 519 V C 0.130 176.128 176.094 -0.160 0.000 1.037 519 V CA -0.542 61.675 62.300 -0.138 0.000 0.908 519 V CB 1.185 32.857 31.823 -0.253 0.000 0.985 519 V HN 1.379 nan 8.190 nan 0.000 0.454 520 A N 6.101 128.834 122.820 -0.145 0.000 2.499 520 A HA 0.872 5.192 4.320 0.000 0.000 0.280 520 A C -2.866 174.693 177.584 -0.041 0.000 1.135 520 A CA -1.419 50.597 52.037 -0.034 0.000 0.744 520 A CB 1.408 20.548 19.000 0.235 0.000 1.213 520 A HN 0.728 nan 8.150 nan 0.000 0.434 521 P HA 0.243 nan 4.420 nan 0.000 0.282 521 P C 0.138 177.457 177.300 0.031 0.000 1.287 521 P CA -0.450 62.657 63.100 0.012 0.000 0.792 521 P CB 0.615 32.302 31.700 -0.022 0.000 1.163 522 N N -1.676 117.026 118.700 0.003 0.000 2.413 522 N HA -0.023 4.718 4.740 0.000 0.000 0.207 522 N C 0.285 175.786 175.510 -0.014 0.000 1.206 522 N CA -0.155 52.880 53.050 -0.025 0.000 0.832 522 N CB -1.106 37.335 38.487 -0.078 0.000 1.037 522 N HN 0.251 nan 8.380 nan 0.000 0.467 523 N N 0.712 119.407 118.700 -0.007 0.000 2.178 523 N HA -0.102 4.638 4.740 0.000 0.000 0.222 523 N C 0.894 176.400 175.510 -0.007 0.000 1.350 523 N CA 0.314 53.361 53.050 -0.004 0.000 0.874 523 N CB 0.429 38.906 38.487 -0.016 0.000 1.086 523 N HN 0.382 nan 8.380 nan 0.000 0.452 524 E N 0.655 120.852 120.200 -0.006 0.000 2.489 524 E HA -0.033 4.317 4.350 0.000 0.000 0.193 524 E C 1.256 177.848 176.600 -0.013 0.000 1.057 524 E CA 0.465 56.860 56.400 -0.008 0.000 0.866 524 E CB -0.292 29.408 29.700 -0.001 0.000 0.916 524 E HN 0.528 nan 8.360 nan 0.000 0.500 525 L N 0.136 121.348 121.223 -0.019 0.000 2.446 525 L HA 0.020 4.360 4.340 0.000 0.000 0.219 525 L C 2.075 178.939 176.870 -0.010 0.000 1.116 525 L CA -0.046 54.782 54.840 -0.020 0.000 0.844 525 L CB -0.273 41.765 42.059 -0.035 0.000 0.970 525 L HN 0.096 nan 8.230 nan 0.000 0.457 526 L N 0.518 121.735 121.223 -0.010 0.000 1.957 526 L HA -0.339 4.001 4.340 0.000 0.000 0.228 526 L C 2.487 179.349 176.870 -0.013 0.000 1.086 526 L CA 2.103 56.941 54.840 -0.002 0.000 0.796 526 L CB -0.662 41.378 42.059 -0.032 0.000 0.900 526 L HN 0.257 nan 8.230 nan 0.000 0.439 527 E N -0.992 119.184 120.200 -0.040 0.000 2.187 527 E HA -0.293 4.057 4.350 0.000 0.000 0.199 527 E C 2.027 178.617 176.600 -0.015 0.000 1.004 527 E CA 1.380 57.754 56.400 -0.044 0.000 0.813 527 E CB 0.090 29.763 29.700 -0.044 0.000 0.736 527 E HN 0.316 nan 8.360 nan 0.000 0.468 528 K N 0.648 121.045 120.400 -0.006 0.000 1.967 528 K HA -0.132 4.188 4.320 0.000 0.000 0.212 528 K C 2.110 178.721 176.600 0.018 0.000 1.044 528 K CA 0.659 56.946 56.287 0.001 0.000 0.942 528 K CB -1.207 31.290 32.500 -0.005 0.000 0.726 528 K HN 0.123 nan 8.250 nan 0.000 0.440 529 L N 1.954 123.194 121.223 0.029 0.000 2.123 529 L HA -0.289 4.051 4.340 0.000 0.000 0.217 529 L C 1.814 178.747 176.870 0.104 0.000 1.081 529 L CA 1.961 56.835 54.840 0.056 0.000 0.772 529 L CB -0.343 41.756 42.059 0.067 0.000 0.890 529 L HN 0.158 nan 8.230 nan 0.000 0.437 530 K N -1.086 119.392 120.400 0.131 0.000 2.074 530 K HA -0.176 4.144 4.320 0.000 0.000 0.209 530 K C 2.217 178.880 176.600 0.106 0.000 1.048 530 K CA 1.653 58.052 56.287 0.187 0.000 0.926 530 K CB -0.273 32.271 32.500 0.073 0.000 0.713 530 K HN 0.385 nan 8.250 nan 0.000 0.444 531 S N 0.911 116.640 115.700 0.049 0.000 2.370 531 S HA -0.126 4.344 4.470 0.000 0.000 0.226 531 S C 1.494 176.103 174.600 0.013 0.000 1.033 531 S CA 1.323 59.535 58.200 0.021 0.000 1.011 531 S CB -0.355 62.846 63.200 0.001 0.000 0.852 531 S HN 0.376 nan 8.310 nan 0.000 0.457 532 N N 1.057 119.765 118.700 0.014 0.000 2.084 532 N HA -0.087 4.654 4.740 0.000 0.000 0.190 532 N C 1.787 177.298 175.510 0.002 0.000 1.030 532 N CA 1.499 54.547 53.050 -0.003 0.000 0.849 532 N CB -0.443 38.044 38.487 -0.000 0.000 1.012 532 N HN 0.342 nan 8.380 nan 0.000 0.423 533 I N 1.727 122.311 120.570 0.023 0.000 2.091 533 I HA -0.264 3.906 4.170 0.000 0.000 0.239 533 I C 2.659 178.777 176.117 0.002 0.000 1.061 533 I CA 1.291 62.596 61.300 0.008 0.000 1.317 533 I CB -0.343 37.671 38.000 0.023 0.000 1.031 533 I HN 0.085 nan 8.210 nan 0.000 0.401 534 E N 0.929 121.145 120.200 0.026 0.000 2.160 534 E HA -0.230 4.120 4.350 0.000 0.000 0.195 534 E C 1.982 178.576 176.600 -0.012 0.000 0.991 534 E CA 1.353 57.758 56.400 0.009 0.000 0.810 534 E CB -0.057 29.655 29.700 0.021 0.000 0.742 534 E HN 0.550 nan 8.360 nan 0.000 0.466 535 E N -0.097 120.093 120.200 -0.016 0.000 2.017 535 E HA -0.178 4.173 4.350 0.000 0.000 0.193 535 E C 2.286 178.865 176.600 -0.034 0.000 0.997 535 E CA 1.982 58.364 56.400 -0.030 0.000 0.804 535 E CB -0.301 29.374 29.700 -0.040 0.000 0.757 535 E HN 0.260 nan 8.360 nan 0.000 0.448 536 V N 0.097 119.991 119.914 -0.034 0.000 2.324 536 V HA -0.295 3.825 4.120 0.000 0.000 0.250 536 V C 2.353 178.424 176.094 -0.039 0.000 1.060 536 V CA 2.020 64.300 62.300 -0.035 0.000 1.042 536 V CB -0.750 31.057 31.823 -0.027 0.000 0.650 536 V HN 0.158 nan 8.190 nan 0.000 0.450 537 R N 0.808 121.283 120.500 -0.041 0.000 2.070 537 R HA -0.114 4.226 4.340 0.000 0.000 0.233 537 R C 2.522 178.797 176.300 -0.042 0.000 1.137 537 R CA 1.812 57.881 56.100 -0.051 0.000 0.945 537 R CB -0.796 29.474 30.300 -0.049 0.000 0.845 537 R HN 0.593 nan 8.270 nan 0.000 0.430 538 A N 0.894 123.694 122.820 -0.034 0.000 1.997 538 A HA -0.160 4.160 4.320 0.000 0.000 0.221 538 A C 1.632 179.197 177.584 -0.032 0.000 1.172 538 A CA 1.407 53.426 52.037 -0.031 0.000 0.645 538 A CB -0.267 18.716 19.000 -0.027 0.000 0.813 538 A HN 0.164 nan 8.150 nan 0.000 0.454 539 R N -0.837 119.643 120.500 -0.034 0.000 2.449 539 R HA 0.319 4.659 4.340 0.000 0.000 0.262 539 R C 1.280 177.561 176.300 -0.033 0.000 1.006 539 R CA 0.337 56.418 56.100 -0.033 0.000 1.104 539 R CB -1.152 29.127 30.300 -0.035 0.000 1.206 539 R HN 0.743 nan 8.270 nan 0.000 0.538 540 G N -0.090 108.688 108.800 -0.036 0.000 3.298 540 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 540 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 540 G C 0.301 175.174 174.900 -0.046 0.000 1.681 540 G CA 0.116 45.193 45.100 -0.038 0.000 1.094 540 G HN 0.653 nan 8.290 nan 0.000 0.575 541 G N 1.341 110.120 108.800 -0.035 0.000 2.656 541 G HA2 0.137 4.098 3.960 0.000 0.000 0.318 541 G HA3 0.137 4.098 3.960 0.000 0.000 0.318 541 G C 0.169 175.037 174.900 -0.052 0.000 0.077 541 G CA 1.252 46.336 45.100 -0.028 0.000 1.197 541 G HN 1.035 nan 8.290 nan 0.000 0.570 542 Q N 1.118 120.895 119.800 -0.037 0.000 2.289 542 Q HA 0.298 4.639 4.340 0.000 0.000 0.273 542 Q C 0.752 176.672 176.000 -0.134 0.000 1.029 542 Q CA 0.245 55.980 55.803 -0.113 0.000 0.896 542 Q CB 1.389 30.129 28.738 0.004 0.000 1.182 542 Q HN 0.569 nan 8.270 nan 0.000 0.385 543 L N 3.209 124.209 121.223 -0.371 0.000 2.317 543 L HA 0.357 4.697 4.340 0.000 0.000 0.281 543 L C -0.947 175.664 176.870 -0.432 0.000 1.024 543 L CA -0.724 53.959 54.840 -0.261 0.000 0.810 543 L CB 0.812 42.726 42.059 -0.242 0.000 1.240 543 L HN 0.553 nan 8.230 nan 0.000 0.427 544 Y N 2.589 122.912 120.300 0.038 0.000 2.646 544 Y HA 0.364 4.914 4.550 0.000 0.000 0.334 544 Y C -0.227 175.753 175.900 0.133 0.000 1.004 544 Y CA -0.872 57.312 58.100 0.139 0.000 1.301 544 Y CB 1.198 39.840 38.460 0.304 0.000 1.093 544 Y HN 0.133 nan 8.280 nan 0.000 0.530 545 V N 2.210 122.164 119.914 0.067 0.000 2.567 545 V HA 0.269 4.389 4.120 0.000 0.000 0.289 545 V C -0.310 175.839 176.094 0.093 0.000 1.049 545 V CA -0.638 61.659 62.300 -0.006 0.000 0.969 545 V CB 0.963 32.513 31.823 -0.455 0.000 0.995 545 V HN 0.396 nan 8.190 nan 0.000 0.471 546 F N 2.553 122.461 119.950 -0.069 0.000 2.366 546 F HA 0.629 5.156 4.527 0.000 0.000 0.328 546 F C 0.827 176.729 175.800 0.169 0.000 1.180 546 F CA -0.740 57.309 58.000 0.082 0.000 1.232 546 F CB 0.352 39.445 39.000 0.155 0.000 1.513 546 F HN 0.577 nan 8.300 nan 0.000 0.540 547 A N 0.727 123.675 122.820 0.215 0.000 2.409 547 A HA 0.136 4.457 4.320 0.000 0.000 0.262 547 A C 0.679 178.462 177.584 0.333 0.000 1.113 547 A CA -0.495 51.746 52.037 0.340 0.000 0.790 547 A CB 0.134 19.435 19.000 0.502 0.000 1.046 547 A HN 0.459 nan 8.150 nan 0.000 0.496 548 D N 2.735 123.333 120.400 0.330 0.000 2.606 548 D HA -0.036 4.604 4.640 0.000 0.000 0.234 548 D C 1.111 177.504 176.300 0.156 0.000 1.140 548 D CA 0.912 55.065 54.000 0.254 0.000 1.182 548 D CB -0.328 40.564 40.800 0.154 0.000 1.130 548 D HN 0.779 nan 8.370 nan 0.000 0.485 549 Q N 1.296 121.196 119.800 0.166 0.000 1.984 549 Q HA -0.343 3.998 4.340 0.000 0.000 0.269 549 Q C 0.347 176.411 176.000 0.106 0.000 2.610 549 Q CA 2.580 58.459 55.803 0.125 0.000 0.582 549 Q CB -0.791 28.020 28.738 0.123 0.000 1.004 549 Q HN 0.518 nan 8.270 nan 0.000 0.603 550 D N -0.539 119.916 120.400 0.092 0.000 1.761 550 D HA 0.092 4.732 4.640 0.000 0.000 0.299 550 D C 1.472 177.791 176.300 0.031 0.000 1.042 550 D CA 1.714 55.750 54.000 0.061 0.000 0.906 550 D CB -0.696 40.144 40.800 0.066 0.000 1.328 550 D HN 0.744 nan 8.370 nan 0.000 0.486 551 A N -0.562 122.252 122.820 -0.010 0.000 3.102 551 A HA -0.234 4.087 4.320 0.000 0.000 0.332 551 A C 1.722 179.180 177.584 -0.210 0.000 1.862 551 A CA 3.619 55.592 52.037 -0.107 0.000 0.967 551 A CB -1.710 17.249 19.000 -0.069 0.000 1.442 551 A HN 1.120 nan 8.150 nan 0.000 0.640 552 G N -3.638 105.012 108.800 -0.250 0.000 3.827 552 G HA2 0.407 4.368 3.960 0.000 0.000 0.218 552 G HA3 0.407 4.368 3.960 0.000 0.000 0.218 552 G C 0.189 174.995 174.900 -0.157 0.000 0.892 552 G CA 0.406 45.374 45.100 -0.219 0.000 0.857 552 G HN 1.137 nan 8.290 nan 0.000 0.508 553 F N 1.194 121.148 119.950 0.007 0.000 2.657 553 F HA 0.371 4.899 4.527 0.001 0.000 0.354 553 F C 0.821 176.618 175.800 -0.003 0.000 1.148 553 F CA 0.417 58.416 58.000 -0.000 0.000 1.368 553 F CB 0.694 39.697 39.000 0.005 0.000 1.036 553 F HN -0.046 nan 8.300 nan 0.000 0.619 554 V N 2.294 122.340 119.914 0.220 0.000 2.524 554 V HA 0.207 4.327 4.120 0.000 0.000 0.297 554 V C -0.295 175.841 176.094 0.070 0.000 1.035 554 V CA -1.117 61.246 62.300 0.106 0.000 0.867 554 V CB 1.684 33.544 31.823 0.062 0.000 1.004 554 V HN 0.782 nan 8.190 nan 0.000 0.426 555 S N 3.484 119.213 115.700 0.049 0.000 2.558 555 S HA 0.475 4.945 4.470 0.000 0.000 0.288 555 S C 0.473 175.081 174.600 0.012 0.000 1.318 555 S CA 0.057 58.270 58.200 0.021 0.000 1.056 555 S CB 0.647 63.865 63.200 0.030 0.000 0.853 555 S HN 1.057 nan 8.310 nan 0.000 0.505 556 S N 1.025 116.719 115.700 -0.010 0.000 2.880 556 S HA 0.404 4.874 4.470 0.000 0.000 0.308 556 S C 0.385 174.983 174.600 -0.004 0.000 1.195 556 S CA -0.709 57.484 58.200 -0.012 0.000 0.866 556 S CB 0.460 63.642 63.200 -0.030 0.000 1.254 556 S HN 0.612 nan 8.310 nan 0.000 0.571 557 D N 1.490 121.886 120.400 -0.006 0.000 2.103 557 D HA -0.142 4.498 4.640 0.000 0.000 0.199 557 D C 1.031 177.337 176.300 0.011 0.000 0.978 557 D CA 1.809 55.829 54.000 0.032 0.000 0.829 557 D CB -0.849 39.961 40.800 0.017 0.000 0.981 557 D HN 0.624 nan 8.370 nan 0.000 0.464 558 N N -0.329 118.294 118.700 -0.128 0.000 2.373 558 N HA 0.018 4.758 4.740 0.000 0.000 0.181 558 N C 0.634 175.773 175.510 -0.617 0.000 1.082 558 N CA 0.049 52.946 53.050 -0.256 0.000 0.885 558 N CB 0.041 38.437 38.487 -0.151 0.000 0.977 558 N HN 0.203 nan 8.380 nan 0.000 0.462 559 M N 1.693 120.957 119.600 -0.561 0.000 2.085 559 M HA 0.225 4.705 4.480 0.000 0.000 0.309 559 M C -1.648 174.336 176.300 -0.526 0.000 0.947 559 M CA -0.675 54.262 55.300 -0.606 0.000 0.918 559 M CB 0.919 33.342 32.600 -0.294 0.000 1.504 559 M HN 0.040 nan 8.290 nan 0.000 0.420 560 H N 6.116 125.000 119.070 -0.310 0.000 2.761 560 H HA 0.341 4.897 4.556 0.000 0.000 0.284 560 H C -0.301 174.936 175.328 -0.152 0.000 1.105 560 H CA -0.500 55.413 56.048 -0.225 0.000 1.352 560 H CB 0.411 29.993 29.762 -0.301 0.000 1.423 560 H HN 0.583 nan 8.280 nan 0.000 0.464 561 I N 4.926 125.478 120.570 -0.030 0.000 2.365 561 I HA 0.140 4.310 4.170 0.000 0.000 0.291 561 I C 0.707 176.773 176.117 -0.085 0.000 1.004 561 I CA -0.426 60.833 61.300 -0.067 0.000 1.311 561 I CB 0.836 38.830 38.000 -0.009 0.000 1.401 561 I HN 0.454 nan 8.210 nan 0.000 0.491 562 I N 6.280 126.732 120.570 -0.196 0.000 2.371 562 I HA 0.187 4.357 4.170 0.000 0.000 0.282 562 I C 0.367 176.388 176.117 -0.160 0.000 1.031 562 I CA -0.479 60.657 61.300 -0.275 0.000 1.180 562 I CB 0.637 38.225 38.000 -0.687 0.000 1.336 562 I HN 0.461 nan 8.210 nan 0.000 0.467 563 E N 6.794 126.965 120.200 -0.047 0.000 2.351 563 E HA 0.166 4.516 4.350 0.000 0.000 0.266 563 E C -0.196 176.431 176.600 0.044 0.000 1.031 563 E CA -0.024 56.397 56.400 0.036 0.000 0.911 563 E CB 0.737 30.467 29.700 0.050 0.000 0.986 563 E HN 0.421 nan 8.360 nan 0.000 0.446 564 M N 3.864 123.536 119.600 0.120 0.000 2.369 564 M HA 0.379 4.859 4.480 0.000 0.000 0.291 564 M C -2.232 174.177 176.300 0.182 0.000 1.178 564 M CA -2.423 52.969 55.300 0.154 0.000 0.996 564 M CB 0.336 33.072 32.600 0.228 0.000 1.472 564 M HN 0.239 nan 8.290 nan 0.000 0.496 565 P HA 0.172 nan 4.420 nan 0.000 0.297 565 P C -0.410 176.935 177.300 0.075 0.000 1.319 565 P CA -0.261 62.946 63.100 0.178 0.000 0.810 565 P CB 0.339 32.172 31.700 0.222 0.000 0.947 566 H N 2.779 121.845 119.070 -0.007 0.000 3.135 566 H HA 0.054 4.610 4.556 0.000 0.000 0.345 566 H C -0.269 174.919 175.328 -0.234 0.000 1.112 566 H CA 1.310 57.325 56.048 -0.054 0.000 1.349 566 H CB 0.418 30.163 29.762 -0.028 0.000 1.262 566 H HN 0.331 nan 8.280 nan 0.000 0.603 567 V N 0.711 120.605 119.914 -0.034 0.000 3.036 567 V HA 0.169 4.289 4.120 0.000 0.000 0.288 567 V C -0.762 175.320 176.094 -0.020 0.000 1.407 567 V CA -1.292 60.881 62.300 -0.212 0.000 0.983 567 V CB 1.683 33.032 31.823 -0.791 0.000 1.128 567 V HN 0.632 nan 8.190 nan 0.000 0.439 568 E N 2.008 122.204 120.200 -0.007 0.000 2.752 568 E HA 0.020 4.370 4.350 0.000 0.000 0.241 568 E C 0.992 177.626 176.600 0.057 0.000 1.016 568 E CA 0.739 57.166 56.400 0.045 0.000 0.952 568 E CB 0.512 30.226 29.700 0.024 0.000 0.921 568 E HN 0.903 nan 8.360 nan 0.000 0.515 569 E N 3.425 123.674 120.200 0.081 0.000 2.233 569 E HA -0.224 4.126 4.350 0.000 0.000 0.199 569 E C 1.482 178.163 176.600 0.134 0.000 1.004 569 E CA 1.205 57.663 56.400 0.095 0.000 0.819 569 E CB -0.117 29.632 29.700 0.081 0.000 0.738 569 E HN 0.455 nan 8.360 nan 0.000 0.478 570 V N 1.006 120.984 119.914 0.107 0.000 2.220 570 V HA -0.211 3.909 4.120 0.000 0.000 0.246 570 V C 1.994 178.224 176.094 0.226 0.000 1.049 570 V CA 2.231 64.605 62.300 0.123 0.000 1.003 570 V CB -0.419 31.399 31.823 -0.008 0.000 0.634 570 V HN 0.496 nan 8.190 nan 0.000 0.444 571 I N -0.808 119.846 120.570 0.141 0.000 3.780 571 I HA 0.466 4.637 4.170 0.000 0.000 0.312 571 I C 1.721 177.998 176.117 0.268 0.000 1.377 571 I CA 0.637 62.062 61.300 0.208 0.000 1.224 571 I CB -0.388 37.658 38.000 0.077 0.000 1.110 571 I HN 0.222 nan 8.210 nan 0.000 0.418 572 A N 2.166 125.159 122.820 0.287 0.000 1.972 572 A HA 0.077 4.397 4.320 0.000 0.000 0.219 572 A C -0.083 177.812 177.584 0.517 0.000 1.169 572 A CA 1.148 53.416 52.037 0.386 0.000 0.635 572 A CB -1.526 17.683 19.000 0.347 0.000 0.810 572 A HN 0.447 nan 8.150 nan 0.000 0.446 573 P HA -0.191 nan 4.420 nan 0.000 0.210 573 P C 1.388 178.873 177.300 0.309 0.000 1.185 573 P CA 1.176 64.442 63.100 0.277 0.000 0.924 573 P CB -0.285 31.482 31.700 0.112 0.000 0.786 574 I N -2.259 118.484 120.570 0.287 0.000 2.290 574 I HA -0.296 3.874 4.170 0.000 0.000 0.253 574 I C 2.319 178.568 176.117 0.219 0.000 1.112 574 I CA 1.574 62.996 61.300 0.204 0.000 1.377 574 I CB -0.727 37.372 38.000 0.165 0.000 1.060 574 I HN -0.117 nan 8.210 nan 0.000 0.428 575 F N 0.354 120.366 119.950 0.103 0.000 2.206 575 F HA -0.160 4.367 4.527 0.001 0.000 0.298 575 F C 2.115 177.872 175.800 -0.073 0.000 1.090 575 F CA 1.327 59.319 58.000 -0.014 0.000 1.323 575 F CB -0.278 38.682 39.000 -0.068 0.000 1.028 575 F HN -0.052 nan 8.300 nan 0.000 0.492 576 Y N -0.464 119.872 120.300 0.060 0.000 2.397 576 Y HA -0.056 4.494 4.550 0.000 0.000 0.292 576 Y C 2.510 178.378 175.900 -0.054 0.000 1.115 576 Y CA 1.364 59.442 58.100 -0.037 0.000 1.208 576 Y CB -0.956 37.539 38.460 0.059 0.000 1.046 576 Y HN -0.129 nan 8.280 nan 0.000 0.552 577 T N -0.091 114.561 114.554 0.164 0.000 2.751 577 T HA -0.222 4.128 4.350 0.000 0.000 0.268 577 T C 2.003 176.724 174.700 0.036 0.000 1.045 577 T CA 1.531 63.720 62.100 0.148 0.000 1.142 577 T CB -0.646 68.410 68.868 0.313 0.000 0.851 577 T HN 0.086 nan 8.240 nan 0.000 0.474 578 V N 2.336 122.222 119.914 -0.047 0.000 2.216 578 V HA -0.140 3.981 4.120 0.000 0.000 0.242 578 V C -0.347 175.676 176.094 -0.117 0.000 1.042 578 V CA 1.864 64.086 62.300 -0.129 0.000 0.991 578 V CB -1.698 29.973 31.823 -0.253 0.000 0.633 578 V HN 0.344 nan 8.190 nan 0.000 0.449 579 P HA -0.145 nan 4.420 nan 0.000 0.218 579 P C 1.853 179.172 177.300 0.032 0.000 1.146 579 P CA 1.534 64.649 63.100 0.025 0.000 0.813 579 P CB -0.080 31.754 31.700 0.223 0.000 0.778 580 L N -0.554 120.615 121.223 -0.090 0.000 1.973 580 L HA -0.190 4.151 4.340 0.000 0.000 0.208 580 L C 2.845 179.707 176.870 -0.014 0.000 1.073 580 L CA 1.651 56.434 54.840 -0.094 0.000 0.746 580 L CB -1.473 40.558 42.059 -0.047 0.000 0.891 580 L HN -0.053 nan 8.230 nan 0.000 0.433 581 Q N -0.117 119.665 119.800 -0.030 0.000 2.207 581 Q HA -0.289 4.051 4.340 0.000 0.000 0.215 581 Q C 2.238 178.230 176.000 -0.012 0.000 1.006 581 Q CA 1.873 57.653 55.803 -0.038 0.000 0.903 581 Q CB -0.353 28.343 28.738 -0.070 0.000 0.947 581 Q HN 0.501 nan 8.270 nan 0.000 0.414 582 L N -0.408 120.806 121.223 -0.014 0.000 1.993 582 L HA -0.186 4.154 4.340 0.000 0.000 0.206 582 L C 2.399 179.375 176.870 0.177 0.000 1.074 582 L CA 0.772 55.648 54.840 0.060 0.000 0.746 582 L CB -0.580 41.506 42.059 0.045 0.000 0.896 582 L HN 0.303 nan 8.230 nan 0.000 0.435 583 L N 0.507 121.804 121.223 0.122 0.000 2.081 583 L HA -0.173 4.167 4.340 0.000 0.000 0.212 583 L C 2.517 179.387 176.870 0.000 0.000 1.080 583 L CA 2.007 56.881 54.840 0.056 0.000 0.754 583 L CB -0.766 41.288 42.059 -0.008 0.000 0.893 583 L HN 0.165 nan 8.230 nan 0.000 0.433 584 A N -1.185 121.648 122.820 0.021 0.000 1.933 584 A HA -0.270 4.050 4.320 0.000 0.000 0.218 584 A C 2.291 179.866 177.584 -0.015 0.000 1.175 584 A CA 1.824 53.860 52.037 -0.002 0.000 0.628 584 A CB -1.173 17.822 19.000 -0.008 0.000 0.814 584 A HN 0.702 nan 8.150 nan 0.000 0.444 585 Y N -0.304 119.937 120.300 -0.099 0.000 2.184 585 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 585 Y C 2.523 178.314 175.900 -0.182 0.000 1.129 585 Y CA 2.065 60.066 58.100 -0.164 0.000 1.144 585 Y CB -0.347 37.995 38.460 -0.196 0.000 0.995 585 Y HN 0.459 nan 8.280 nan 0.000 0.513 586 H N -1.087 117.960 119.070 -0.039 0.000 2.389 586 H HA -0.130 4.426 4.556 0.000 0.000 0.299 586 H C 2.506 177.740 175.328 -0.157 0.000 1.081 586 H CA 1.651 57.631 56.048 -0.114 0.000 1.345 586 H CB -0.438 29.331 29.762 0.012 0.000 1.393 586 H HN 0.313 nan 8.280 nan 0.000 0.520 587 V N 1.344 121.241 119.914 -0.029 0.000 2.219 587 V HA -0.299 3.821 4.120 0.000 0.000 0.248 587 V C 2.796 178.853 176.094 -0.062 0.000 1.053 587 V CA 1.913 64.189 62.300 -0.040 0.000 1.009 587 V CB -1.071 30.719 31.823 -0.055 0.000 0.636 587 V HN 0.493 nan 8.190 nan 0.000 0.445 588 A N -1.140 121.594 122.820 -0.143 0.000 2.139 588 A HA -0.159 4.161 4.320 0.000 0.000 0.221 588 A C 2.142 179.615 177.584 -0.185 0.000 1.159 588 A CA 1.704 53.636 52.037 -0.176 0.000 0.662 588 A CB -0.469 18.372 19.000 -0.265 0.000 0.796 588 A HN 0.560 nan 8.150 nan 0.000 0.463 589 L N -1.624 119.460 121.223 -0.232 0.000 2.298 589 L HA 0.074 4.414 4.340 0.000 0.000 0.209 589 L C 2.149 178.994 176.870 -0.042 0.000 1.084 589 L CA 0.248 54.981 54.840 -0.178 0.000 0.816 589 L CB -0.084 41.812 42.059 -0.272 0.000 0.967 589 L HN 0.363 nan 8.230 nan 0.000 0.460 590 I N -0.139 120.426 120.570 -0.009 0.000 2.876 590 I HA -0.117 4.053 4.170 0.000 0.000 0.264 590 I C 2.059 178.205 176.117 0.047 0.000 1.204 590 I CA 1.328 62.650 61.300 0.037 0.000 1.485 590 I CB -0.365 37.670 38.000 0.058 0.000 1.103 590 I HN 0.046 nan 8.210 nan 0.000 0.446 591 K N 0.540 120.963 120.400 0.038 0.000 2.400 591 K HA 0.194 4.514 4.320 0.000 0.000 0.194 591 K C 0.505 177.142 176.600 0.062 0.000 1.033 591 K CA 0.647 56.973 56.287 0.066 0.000 1.021 591 K CB 0.012 32.559 32.500 0.079 0.000 0.808 591 K HN 0.386 nan 8.250 nan 0.000 0.505 592 G N 2.233 111.055 108.800 0.037 0.000 2.540 592 G HA2 -0.212 3.748 3.960 0.000 0.000 0.260 592 G HA3 -0.212 3.748 3.960 0.000 0.000 0.260 592 G C -0.345 174.600 174.900 0.074 0.000 0.993 592 G CA 0.692 45.821 45.100 0.047 0.000 1.327 592 G HN 0.285 nan 8.290 nan 0.000 0.485 593 T N 0.148 114.738 114.554 0.060 0.000 2.982 593 T HA 0.450 4.800 4.350 0.000 0.000 0.321 593 T C -0.641 174.090 174.700 0.052 0.000 1.229 593 T CA -0.119 62.054 62.100 0.122 0.000 1.044 593 T CB 1.817 70.819 68.868 0.222 0.000 1.184 593 T HN 0.368 nan 8.240 nan 0.000 0.477 594 D N 4.189 124.652 120.400 0.105 0.000 2.359 594 D HA 0.063 4.703 4.640 0.000 0.000 0.273 594 D C 1.613 177.897 176.300 -0.027 0.000 1.362 594 D CA 0.207 54.248 54.000 0.069 0.000 1.010 594 D CB 0.550 41.408 40.800 0.098 0.000 1.090 594 D HN 0.406 nan 8.370 nan 0.000 0.521 595 V N 4.672 124.473 119.914 -0.187 0.000 2.246 595 V HA -0.317 3.803 4.120 0.000 0.000 0.237 595 V C 2.040 178.064 176.094 -0.116 0.000 1.025 595 V CA 1.808 63.934 62.300 -0.289 0.000 0.993 595 V CB -0.381 31.031 31.823 -0.686 0.000 0.642 595 V HN 0.570 nan 8.190 nan 0.000 0.466 596 D N -0.087 120.295 120.400 -0.029 0.000 2.154 596 D HA -0.214 4.426 4.640 0.000 0.000 0.190 596 D C 1.321 177.599 176.300 -0.037 0.000 1.003 596 D CA 1.563 55.605 54.000 0.069 0.000 0.849 596 D CB -0.301 40.669 40.800 0.282 0.000 0.942 596 D HN 0.584 nan 8.370 nan 0.000 0.446 597 Q N 1.224 120.955 119.800 -0.115 0.000 2.636 597 Q HA 0.227 4.567 4.340 0.000 0.000 0.233 597 Q C -2.093 173.862 176.000 -0.075 0.000 1.143 597 Q CA -1.529 54.020 55.803 -0.423 0.000 0.969 597 Q CB 2.043 30.346 28.738 -0.725 0.000 1.185 597 Q HN 0.180 nan 8.270 nan 0.000 0.546 598 P HA -0.031 nan 4.420 nan 0.000 0.335 598 P C -0.428 177.154 177.300 0.471 0.000 1.379 598 P CA -0.014 63.250 63.100 0.274 0.000 0.794 598 P CB 0.612 32.422 31.700 0.185 0.000 1.849 599 R N -1.201 119.589 120.500 0.484 0.000 2.939 599 R HA 0.332 4.672 4.340 0.000 0.000 0.254 599 R C 0.048 176.469 176.300 0.202 0.000 1.123 599 R CA -0.668 55.617 56.100 0.307 0.000 1.020 599 R CB 0.119 30.492 30.300 0.121 0.000 1.206 599 R HN 0.323 nan 8.270 nan 0.000 0.491 600 N N -0.379 118.372 118.700 0.084 0.000 2.644 600 N HA -0.224 4.516 4.740 0.000 0.000 0.248 600 N C -0.554 175.007 175.510 0.085 0.000 1.150 600 N CA 1.431 54.503 53.050 0.036 0.000 0.727 600 N CB -0.861 37.634 38.487 0.013 0.000 1.091 600 N HN 0.486 nan 8.380 nan 0.000 0.556 601 L N -2.569 118.739 121.223 0.141 0.000 2.205 601 L HA 0.802 5.142 4.340 0.000 0.000 0.242 601 L C 0.662 177.626 176.870 0.157 0.000 1.115 601 L CA -0.246 54.791 54.840 0.327 0.000 0.987 601 L CB 1.518 43.751 42.059 0.289 0.000 1.568 601 L HN 0.005 nan 8.230 nan 0.000 0.450 602 A N -0.170 122.720 122.820 0.116 0.000 2.597 602 A HA 0.465 4.786 4.320 0.000 0.000 0.191 602 A C 0.431 178.055 177.584 0.065 0.000 1.336 602 A CA 0.622 52.454 52.037 -0.342 0.000 1.516 602 A CB 0.437 18.488 19.000 -1.582 0.000 1.849 602 A HN 0.578 nan 8.150 nan 0.000 0.640 603 K N -1.316 119.015 120.400 -0.114 0.000 2.770 603 K HA 0.273 4.593 4.320 0.000 0.000 0.195 603 K C -0.079 176.539 176.600 0.031 0.000 1.515 603 K CA 1.340 57.655 56.287 0.047 0.000 1.199 603 K CB 0.711 33.301 32.500 0.149 0.000 1.681 603 K HN 0.886 nan 8.250 nan 0.000 0.586 604 S N 0.090 115.764 115.700 -0.043 0.000 2.543 604 S HA 0.428 4.899 4.470 0.000 0.000 0.271 604 S C -1.136 173.497 174.600 0.054 0.000 1.148 604 S CA -0.651 57.563 58.200 0.024 0.000 0.914 604 S CB 1.698 64.914 63.200 0.027 0.000 1.096 604 S HN -0.065 nan 8.310 nan 0.000 0.471 605 V N 5.561 125.557 119.914 0.137 0.000 2.324 605 V HA 0.131 4.251 4.120 0.000 0.000 0.244 605 V C 1.434 177.623 176.094 0.158 0.000 1.144 605 V CA 0.549 62.981 62.300 0.221 0.000 1.158 605 V CB -0.832 31.098 31.823 0.177 0.000 1.254 605 V HN 1.044 nan 8.190 nan 0.000 0.492 606 T N 2.717 117.363 114.554 0.154 0.000 2.812 606 T HA 0.012 4.363 4.350 0.000 0.000 0.264 606 T C 0.670 175.456 174.700 0.143 0.000 1.042 606 T CA 0.887 63.051 62.100 0.106 0.000 1.140 606 T CB 0.191 69.091 68.868 0.052 0.000 0.870 606 T HN 0.415 nan 8.240 nan 0.000 0.445 607 V N 3.756 123.800 119.914 0.217 0.000 2.444 607 V HA 0.305 4.425 4.120 0.000 0.000 0.294 607 V C 0.253 176.431 176.094 0.140 0.000 1.022 607 V CA -1.387 61.022 62.300 0.181 0.000 0.850 607 V CB 1.675 33.623 31.823 0.209 0.000 0.992 607 V HN 0.357 nan 8.190 nan 0.000 0.426 608 E N 0.000 120.267 120.200 0.111 0.000 2.725 608 E HA 0.000 4.350 4.350 0.000 0.000 0.291 608 E CA 0.000 56.456 56.400 0.093 0.000 0.976 608 E CB 0.000 29.778 29.700 0.130 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440