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_B DATA FIRST_RESID 1 DATA SEQUENCE CGIVGAIAQR DVAEILLEGL RRLEYRGYDS AGLAVVDAEG HMTRLRRLGK DATA SEQUENCE VQMLAQAAEE HPLHGGTGIA HTRWATHGEP SEVNAHPHVS EHIVVVHNGI DATA SEQUENCE IENHEPLREE LKARGYTFVS ETDTEVIAHL VNWELKQGGT LREAVLRAIP DATA SEQUENCE QLRGAYGTVI MDSRHPDTLL AARSGSPLVI GLGMGENFIA SDQLALLPVT DATA SEQUENCE RRFIFLEEGD IAEITRRSVN IFDKTGAEVK RQDIESNLQY DAGDKGIYRH DATA SEQUENCE YMQKEIYEQP NAIKNTLTGR ISHGQVDLSE LGPNADELLS KVEHIQILAC DATA SEQUENCE GTSYNSGMVS RYWFESLAGI PCDVEIASEF RYRKSAVRRN SLMITLSQSG DATA SEQUENCE ETADTLAGLR LSKELGYLGS LAICNVPGSS LVRESDLALM TNAGTEIGVA DATA SEQUENCE STKAFTTQLT VLLMLVAKLS 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 0.000 174.864 174.990 -0.210 0.000 1.270 1 C CA 0.000 59.010 59.018 -0.013 0.000 1.963 1 C CB 0.000 27.749 27.740 0.015 0.000 2.134 2 G N 3.344 111.958 108.800 -0.309 0.000 2.739 2 G HA2 0.670 4.631 3.960 0.002 0.000 0.291 2 G HA3 0.670 4.631 3.960 0.002 0.000 0.291 2 G C -0.695 173.963 174.900 -0.403 0.000 1.478 2 G CA -0.671 44.221 45.100 -0.346 0.000 1.062 2 G HN 0.917 nan 8.290 nan 0.000 0.532 3 I N 0.703 121.044 120.570 -0.383 0.000 3.004 3 I HA 0.370 4.541 4.170 0.002 0.000 0.287 3 I C 0.088 176.129 176.117 -0.126 0.000 1.144 3 I CA -0.361 60.788 61.300 -0.252 0.000 1.353 3 I CB 1.610 39.509 38.000 -0.168 0.000 1.417 3 I HN 0.148 nan 8.210 nan 0.000 0.602 4 V N 3.877 123.755 119.914 -0.059 0.000 3.483 4 V HA 0.187 4.308 4.120 0.002 0.000 0.269 4 V C 0.360 176.468 176.094 0.024 0.000 0.854 4 V CA -0.690 61.597 62.300 -0.021 0.000 1.169 4 V CB 0.642 32.454 31.823 -0.018 0.000 0.867 4 V HN 0.979 nan 8.190 nan 0.000 0.497 5 G N 1.640 110.457 108.800 0.028 0.000 2.716 5 G HA2 0.589 4.550 3.960 0.002 0.000 0.251 5 G HA3 0.589 4.550 3.960 0.002 0.000 0.251 5 G C 0.154 175.100 174.900 0.077 0.000 1.224 5 G CA 0.369 45.495 45.100 0.043 0.000 0.891 5 G HN 1.766 nan 8.290 nan 0.000 0.561 6 A N 0.249 123.088 122.820 0.032 0.000 2.392 6 A HA 0.362 4.683 4.320 0.002 0.000 0.289 6 A C -0.556 176.936 177.584 -0.153 0.000 1.309 6 A CA -0.535 51.483 52.037 -0.033 0.000 0.920 6 A CB -0.188 18.884 19.000 0.120 0.000 1.395 6 A HN 1.149 nan 8.150 nan 0.000 0.511 7 I N 2.401 122.864 120.570 -0.178 0.000 2.337 7 I HA 0.641 4.812 4.170 0.002 0.000 0.291 7 I C 0.452 176.420 176.117 -0.249 0.000 1.046 7 I CA 0.452 61.655 61.300 -0.161 0.000 1.324 7 I CB 1.105 39.049 38.000 -0.093 0.000 1.409 7 I HN 0.713 nan 8.210 nan 0.000 0.494 8 A N 5.806 128.499 122.820 -0.212 0.000 2.611 8 A HA 0.435 4.756 4.320 0.002 0.000 0.208 8 A C 0.776 178.296 177.584 -0.108 0.000 1.958 8 A CA 0.106 52.011 52.037 -0.221 0.000 1.718 8 A CB 0.588 19.429 19.000 -0.265 0.000 1.357 8 A HN 0.616 nan 8.150 nan 0.000 0.428 9 Q N -0.934 118.824 119.800 -0.071 0.000 1.321 9 Q HA 0.010 4.351 4.340 0.002 0.000 0.129 9 Q C -0.871 175.116 176.000 -0.022 0.000 0.724 9 Q CA 0.288 56.069 55.803 -0.038 0.000 0.623 9 Q CB 0.166 28.885 28.738 -0.032 0.000 1.107 9 Q HN 0.848 nan 8.270 nan 0.000 0.324 10 R N -0.421 120.065 120.500 -0.023 0.000 2.867 10 R HA 0.585 4.926 4.340 0.002 0.000 0.268 10 R C -0.927 175.360 176.300 -0.021 0.000 1.014 10 R CA -0.841 55.250 56.100 -0.015 0.000 0.946 10 R CB 0.579 30.881 30.300 0.003 0.000 1.208 10 R HN -0.256 nan 8.270 nan 0.000 0.477 11 D N 2.023 122.397 120.400 -0.044 0.000 2.451 11 D HA -0.005 4.636 4.640 0.002 0.000 0.254 11 D C 1.010 177.302 176.300 -0.014 0.000 1.204 11 D CA 0.201 54.166 54.000 -0.059 0.000 0.896 11 D CB 1.249 41.953 40.800 -0.161 0.000 1.136 11 D HN 0.478 nan 8.370 nan 0.000 0.499 12 V N 0.869 120.788 119.914 0.008 0.000 3.413 12 V HA 0.238 4.359 4.120 0.002 0.000 0.344 12 V C 1.554 177.673 176.094 0.042 0.000 1.225 12 V CA 0.034 62.365 62.300 0.051 0.000 1.324 12 V CB -0.631 31.216 31.823 0.041 0.000 1.161 12 V HN 0.485 nan 8.190 nan 0.000 0.432 13 A N 2.796 125.623 122.820 0.010 0.000 2.481 13 A HA -0.265 4.056 4.320 0.002 0.000 0.204 13 A C 2.225 179.819 177.584 0.017 0.000 1.187 13 A CA 2.432 54.470 52.037 0.001 0.000 0.928 13 A CB -0.881 18.103 19.000 -0.028 0.000 0.788 13 A HN 0.777 nan 8.150 nan 0.000 0.548 14 E N 0.768 120.976 120.200 0.013 0.000 2.021 14 E HA -0.244 4.107 4.350 0.002 0.000 0.200 14 E C 2.047 178.663 176.600 0.026 0.000 1.015 14 E CA 2.002 58.411 56.400 0.015 0.000 0.824 14 E CB -1.205 28.500 29.700 0.009 0.000 0.762 14 E HN 0.705 nan 8.360 nan 0.000 0.454 15 I N 1.163 121.761 120.570 0.047 0.000 2.147 15 I HA -0.347 3.824 4.170 0.002 0.000 0.245 15 I C 2.957 179.107 176.117 0.054 0.000 1.059 15 I CA 1.566 62.900 61.300 0.058 0.000 1.320 15 I CB -0.613 37.496 38.000 0.181 0.000 1.021 15 I HN 0.071 nan 8.210 nan 0.000 0.415 16 L N 0.221 121.486 121.223 0.069 0.000 1.976 16 L HA -0.224 4.117 4.340 0.002 0.000 0.209 16 L C 2.606 179.493 176.870 0.028 0.000 1.071 16 L CA 1.609 56.482 54.840 0.055 0.000 0.746 16 L CB -0.289 41.799 42.059 0.048 0.000 0.890 16 L HN 0.219 nan 8.230 nan 0.000 0.432 17 L N -0.718 120.517 121.223 0.020 0.000 2.191 17 L HA -0.204 4.137 4.340 0.002 0.000 0.212 17 L C 2.486 179.361 176.870 0.009 0.000 1.103 17 L CA 0.691 55.538 54.840 0.012 0.000 0.769 17 L CB -0.513 41.551 42.059 0.009 0.000 0.908 17 L HN 0.279 nan 8.230 nan 0.000 0.438 18 E N 1.051 121.255 120.200 0.007 0.000 2.017 18 E HA -0.163 4.188 4.350 0.002 0.000 0.193 18 E C 2.246 178.843 176.600 -0.004 0.000 0.997 18 E CA 1.641 58.041 56.400 -0.000 0.000 0.804 18 E CB -0.811 28.883 29.700 -0.010 0.000 0.757 18 E HN 0.263 nan 8.360 nan 0.000 0.448 19 G N 1.105 109.898 108.800 -0.011 0.000 2.596 19 G HA2 -0.294 3.667 3.960 0.002 0.000 0.223 19 G HA3 -0.294 3.667 3.960 0.002 0.000 0.223 19 G C 1.679 176.571 174.900 -0.014 0.000 1.120 19 G CA 1.340 46.429 45.100 -0.020 0.000 0.752 19 G HN 0.317 nan 8.290 nan 0.000 0.596 20 L N -0.604 120.617 121.223 -0.004 0.000 2.007 20 L HA -0.000 4.341 4.340 0.002 0.000 0.205 20 L C 3.214 180.086 176.870 0.003 0.000 1.073 20 L CA 0.913 55.751 54.840 -0.003 0.000 0.744 20 L CB -0.475 41.589 42.059 0.008 0.000 0.898 20 L HN 0.126 nan 8.230 nan 0.000 0.435 21 R N 0.098 120.605 120.500 0.010 0.000 2.134 21 R HA -0.255 4.086 4.340 0.002 0.000 0.248 21 R C 2.283 178.599 176.300 0.027 0.000 1.143 21 R CA 1.629 57.739 56.100 0.017 0.000 0.957 21 R CB -0.654 29.658 30.300 0.019 0.000 0.867 21 R HN 0.339 nan 8.270 nan 0.000 0.441 22 R N 0.846 121.363 120.500 0.028 0.000 2.241 22 R HA -0.033 4.308 4.340 0.002 0.000 0.224 22 R C 1.617 177.981 176.300 0.108 0.000 1.101 22 R CA 0.847 56.978 56.100 0.051 0.000 0.995 22 R CB 0.104 30.419 30.300 0.025 0.000 0.870 22 R HN 0.234 nan 8.270 nan 0.000 0.463 23 L N -1.172 120.070 121.223 0.031 0.000 2.817 23 L HA 0.153 4.494 4.340 0.002 0.000 0.248 23 L C 1.793 178.533 176.870 -0.217 0.000 1.133 23 L CA -0.098 54.688 54.840 -0.090 0.000 0.935 23 L CB -0.014 41.953 42.059 -0.153 0.000 1.266 23 L HN 0.161 nan 8.230 nan 0.000 0.535 24 E N 1.944 122.113 120.200 -0.050 0.000 2.208 24 E HA -0.288 4.063 4.350 0.002 0.000 0.202 24 E C 1.819 178.420 176.600 0.001 0.000 1.014 24 E CA 2.250 58.644 56.400 -0.009 0.000 0.819 24 E CB -0.179 29.531 29.700 0.016 0.000 0.735 24 E HN 0.724 nan 8.360 nan 0.000 0.469 25 Y N -0.847 119.422 120.300 -0.050 0.000 2.716 25 Y HA 0.052 4.603 4.550 0.002 0.000 0.302 25 Y C 1.365 177.295 175.900 0.051 0.000 1.160 25 Y CA 0.440 58.496 58.100 -0.072 0.000 1.362 25 Y CB -0.074 38.264 38.460 -0.203 0.000 0.988 25 Y HN -0.103 nan 8.280 nan 0.000 0.546 26 R N 0.393 120.605 120.500 -0.480 0.000 2.549 26 R HA 0.393 4.734 4.340 0.002 0.000 0.344 26 R C -0.199 176.027 176.300 -0.124 0.000 0.979 26 R CA 0.354 56.231 56.100 -0.371 0.000 1.140 26 R CB 1.237 31.180 30.300 -0.595 0.000 1.377 26 R HN 0.363 nan 8.270 nan 0.000 0.541 27 G N 0.902 109.654 108.800 -0.079 0.000 1.984 27 G HA2 0.177 4.138 3.960 0.002 0.000 0.313 27 G HA3 0.177 4.138 3.960 0.002 0.000 0.313 27 G C -0.904 173.969 174.900 -0.045 0.000 1.632 27 G CA -0.611 44.441 45.100 -0.081 0.000 0.963 27 G HN 0.231 nan 8.290 nan 0.000 0.595 28 Y N -0.160 120.090 120.300 -0.084 0.000 2.698 28 Y HA 0.450 5.001 4.550 0.002 0.000 0.261 28 Y C 0.519 176.400 175.900 -0.031 0.000 1.104 28 Y CA -1.269 56.792 58.100 -0.065 0.000 1.145 28 Y CB 0.366 38.772 38.460 -0.089 0.000 1.191 28 Y HN 0.279 nan 8.280 nan 0.000 0.564 29 D N 0.880 121.256 120.400 -0.041 0.000 2.262 29 D HA 0.069 4.711 4.640 0.002 0.000 0.212 29 D C 0.565 176.875 176.300 0.017 0.000 0.964 29 D CA 1.227 55.228 54.000 0.002 0.000 0.875 29 D CB 0.420 41.227 40.800 0.013 0.000 0.996 29 D HN 0.412 nan 8.370 nan 0.000 0.497 30 S N -1.434 114.266 115.700 -0.000 0.000 2.671 30 S HA 0.853 5.325 4.470 0.002 0.000 0.277 30 S C -0.111 174.466 174.600 -0.037 0.000 1.165 30 S CA -0.401 57.788 58.200 -0.019 0.000 0.822 30 S CB 2.644 65.821 63.200 -0.039 0.000 1.150 30 S HN 0.123 nan 8.310 nan 0.000 0.479 31 A N 0.533 123.328 122.820 -0.043 0.000 2.098 31 A HA 0.951 5.272 4.320 0.002 0.000 0.179 31 A C 0.795 178.352 177.584 -0.046 0.000 1.358 31 A CA 0.246 52.263 52.037 -0.033 0.000 1.998 31 A CB -0.620 18.381 19.000 0.002 0.000 2.323 31 A HN 2.760 nan 8.150 nan 0.000 0.955 32 G N -0.601 108.187 108.800 -0.020 0.000 2.892 32 G HA2 0.247 4.208 3.960 0.002 0.000 0.686 32 G HA3 0.247 4.208 3.960 0.002 0.000 0.686 32 G C -0.165 174.732 174.900 -0.006 0.000 1.244 32 G CA 0.141 45.229 45.100 -0.019 0.000 0.947 32 G HN 1.875 nan 8.290 nan 0.000 0.584 33 L N -0.100 121.121 121.223 -0.003 0.000 2.426 33 L HA 1.075 5.416 4.340 0.002 0.000 0.260 33 L C 0.368 177.240 176.870 0.002 0.000 1.233 33 L CA -0.868 53.977 54.840 0.009 0.000 1.267 33 L CB 1.663 43.727 42.059 0.009 0.000 1.814 33 L HN 2.427 nan 8.230 nan 0.000 0.561 34 A N 0.576 123.401 122.820 0.008 0.000 2.573 34 A HA 0.547 4.868 4.320 0.002 0.000 0.312 34 A C -1.281 176.316 177.584 0.021 0.000 1.041 34 A CA 0.106 52.151 52.037 0.013 0.000 0.880 34 A CB 0.753 19.763 19.000 0.018 0.000 1.249 34 A HN 1.781 nan 8.150 nan 0.000 0.385 35 V N 1.507 121.438 119.914 0.027 0.000 2.711 35 V HA 0.812 4.933 4.120 0.002 0.000 0.304 35 V C -0.311 175.816 176.094 0.055 0.000 1.097 35 V CA -0.464 61.858 62.300 0.036 0.000 0.906 35 V CB 0.957 32.799 31.823 0.032 0.000 1.015 35 V HN 1.252 nan 8.190 nan 0.000 0.427 36 V N 4.077 124.023 119.914 0.054 0.000 3.781 36 V HA 0.741 4.862 4.120 0.002 0.000 0.271 36 V C 0.279 176.417 176.094 0.074 0.000 0.951 36 V CA 0.646 62.988 62.300 0.070 0.000 0.896 36 V CB 1.341 33.200 31.823 0.060 0.000 1.224 36 V HN 1.356 nan 8.190 nan 0.000 0.403 37 D N -3.157 117.285 120.400 0.069 0.000 2.713 37 D HA 0.511 5.152 4.640 0.002 0.000 0.306 37 D C 0.460 176.770 176.300 0.018 0.000 1.299 37 D CA 0.003 54.036 54.000 0.055 0.000 0.823 37 D CB 0.924 41.776 40.800 0.086 0.000 1.353 37 D HN 0.710 nan 8.370 nan 0.000 0.447 38 A N 0.683 123.507 122.820 0.006 0.000 1.906 38 A HA -0.401 3.920 4.320 0.002 0.000 0.236 38 A C 1.791 179.353 177.584 -0.035 0.000 1.793 38 A CA 3.168 55.196 52.037 -0.015 0.000 0.813 38 A CB -1.712 17.274 19.000 -0.025 0.000 0.841 38 A HN 0.746 nan 8.150 nan 0.000 0.491 39 E N -2.067 118.076 120.200 -0.095 0.000 2.013 39 E HA 0.162 4.513 4.350 0.002 0.000 0.202 39 E C 1.631 178.171 176.600 -0.100 0.000 1.018 39 E CA 2.135 58.437 56.400 -0.163 0.000 0.834 39 E CB -0.323 29.129 29.700 -0.413 0.000 0.770 39 E HN 1.121 nan 8.360 nan 0.000 0.459 40 G N -1.512 107.234 108.800 -0.089 0.000 3.784 40 G HA2 -0.119 3.842 3.960 0.002 0.000 0.220 40 G HA3 -0.119 3.842 3.960 0.002 0.000 0.220 40 G C -0.839 174.134 174.900 0.121 0.000 0.895 40 G CA -0.513 44.605 45.100 0.030 0.000 0.939 40 G HN 0.273 nan 8.290 nan 0.000 0.708 41 H N 1.600 120.696 119.070 0.043 0.000 3.289 41 H HA 0.257 4.814 4.556 0.002 0.000 0.248 41 H C 1.112 176.469 175.328 0.049 0.000 1.175 41 H CA -0.130 55.943 56.048 0.042 0.000 1.496 41 H CB 0.469 30.253 29.762 0.038 0.000 1.571 41 H HN 0.185 nan 8.280 nan 0.000 0.495 42 M N 1.889 121.585 119.600 0.159 0.000 2.012 42 M HA 0.176 4.657 4.480 0.002 0.000 0.248 42 M C -0.333 176.023 176.300 0.093 0.000 1.238 42 M CA 0.395 55.758 55.300 0.105 0.000 0.980 42 M CB 1.192 33.841 32.600 0.083 0.000 1.346 42 M HN 0.478 nan 8.290 nan 0.000 0.511 43 T N 1.564 116.162 114.554 0.073 0.000 4.325 43 T HA 0.204 4.555 4.350 0.002 0.000 0.338 43 T C -0.887 173.837 174.700 0.041 0.000 0.768 43 T CA -0.621 61.524 62.100 0.074 0.000 0.932 43 T CB 0.976 69.895 68.868 0.085 0.000 1.207 43 T HN 0.816 nan 8.240 nan 0.000 0.457 44 R N 2.456 122.981 120.500 0.042 0.000 2.705 44 R HA 0.915 5.256 4.340 0.002 0.000 0.246 44 R C -1.320 174.990 176.300 0.016 0.000 1.142 44 R CA -0.907 55.206 56.100 0.022 0.000 1.114 44 R CB 0.740 31.054 30.300 0.024 0.000 1.256 44 R HN 0.439 nan 8.270 nan 0.000 0.536 45 L N 0.897 122.122 121.223 0.003 0.000 4.000 45 L HA 0.278 4.619 4.340 0.002 0.000 0.243 45 L C -1.604 175.263 176.870 -0.004 0.000 1.026 45 L CA -0.305 54.538 54.840 0.005 0.000 1.377 45 L CB 0.615 42.662 42.059 -0.021 0.000 1.954 45 L HN 0.702 nan 8.230 nan 0.000 0.710 46 R N 2.971 123.471 120.500 0.000 0.000 2.606 46 R HA 0.861 5.202 4.340 0.002 0.000 0.249 46 R C -0.619 175.684 176.300 0.004 0.000 1.127 46 R CA -1.048 55.046 56.100 -0.010 0.000 1.133 46 R CB 1.032 31.320 30.300 -0.019 0.000 1.243 46 R HN 0.577 nan 8.270 nan 0.000 0.558 47 R N -0.366 120.136 120.500 0.002 0.000 3.112 47 R HA 0.261 4.602 4.340 0.002 0.000 0.271 47 R C -1.200 175.108 176.300 0.012 0.000 1.008 47 R CA -0.677 55.430 56.100 0.012 0.000 0.903 47 R CB 0.804 31.113 30.300 0.016 0.000 1.267 47 R HN 0.466 nan 8.270 nan 0.000 0.514 48 L N 0.853 122.087 121.223 0.019 0.000 2.379 48 L HA 0.647 4.988 4.340 0.002 0.000 0.269 48 L C 1.371 178.258 176.870 0.028 0.000 1.084 48 L CA 1.092 55.945 54.840 0.022 0.000 0.802 48 L CB 1.307 43.381 42.059 0.025 0.000 1.175 48 L HN 0.959 nan 8.230 nan 0.000 0.448 49 G N 1.805 110.626 108.800 0.035 0.000 2.498 49 G HA2 -0.187 3.774 3.960 0.002 0.000 0.251 49 G HA3 -0.187 3.774 3.960 0.002 0.000 0.251 49 G C -0.435 174.507 174.900 0.069 0.000 1.170 49 G CA -0.614 44.518 45.100 0.054 0.000 0.944 49 G HN 0.462 nan 8.290 nan 0.000 0.567 50 K N 0.166 120.606 120.400 0.066 0.000 2.126 50 K HA 0.443 4.764 4.320 0.002 0.000 0.257 50 K C 1.732 178.357 176.600 0.042 0.000 1.007 50 K CA 0.112 56.438 56.287 0.065 0.000 0.928 50 K CB 1.422 33.945 32.500 0.039 0.000 1.013 50 K HN 0.357 nan 8.250 nan 0.000 0.473 51 V N 1.706 121.643 119.914 0.038 0.000 2.913 51 V HA -0.187 3.934 4.120 0.002 0.000 0.260 51 V C 2.228 178.334 176.094 0.020 0.000 1.098 51 V CA 1.306 63.622 62.300 0.027 0.000 1.121 51 V CB -0.486 31.352 31.823 0.025 0.000 0.714 51 V HN 0.627 nan 8.190 nan 0.000 0.487 52 Q N -0.364 119.447 119.800 0.019 0.000 2.248 52 Q HA -0.221 4.120 4.340 0.002 0.000 0.208 52 Q C 1.871 177.881 176.000 0.017 0.000 0.984 52 Q CA 1.919 57.731 55.803 0.016 0.000 0.875 52 Q CB -0.300 28.446 28.738 0.014 0.000 0.910 52 Q HN 0.529 nan 8.270 nan 0.000 0.433 53 M N -1.158 118.454 119.600 0.020 0.000 2.102 53 M HA -0.043 4.438 4.480 0.002 0.000 0.259 53 M C 1.721 178.032 176.300 0.018 0.000 1.083 53 M CA 0.811 56.123 55.300 0.020 0.000 1.141 53 M CB -0.947 31.666 32.600 0.023 0.000 1.318 53 M HN 0.314 nan 8.290 nan 0.000 0.421 54 L N 0.472 121.704 121.223 0.016 0.000 2.103 54 L HA -0.223 4.118 4.340 0.002 0.000 0.215 54 L C 2.244 179.119 176.870 0.009 0.000 1.080 54 L CA 2.276 57.122 54.840 0.010 0.000 0.764 54 L CB -1.264 40.799 42.059 0.007 0.000 0.890 54 L HN 0.323 nan 8.230 nan 0.000 0.435 55 A N -1.085 121.742 122.820 0.012 0.000 1.859 55 A HA -0.318 4.003 4.320 0.002 0.000 0.217 55 A C 2.192 179.784 177.584 0.014 0.000 1.198 55 A CA 2.134 54.177 52.037 0.011 0.000 0.629 55 A CB -0.747 18.261 19.000 0.012 0.000 0.830 55 A HN 0.652 nan 8.150 nan 0.000 0.446 56 Q N -0.782 119.029 119.800 0.018 0.000 2.124 56 Q HA -0.093 4.248 4.340 0.002 0.000 0.202 56 Q C 2.427 178.446 176.000 0.030 0.000 0.977 56 Q CA 1.250 57.067 55.803 0.024 0.000 0.850 56 Q CB -0.464 28.288 28.738 0.024 0.000 0.901 56 Q HN 0.698 nan 8.270 nan 0.000 0.429 57 A N 1.404 124.240 122.820 0.027 0.000 1.869 57 A HA -0.280 4.041 4.320 0.002 0.000 0.218 57 A C 2.307 179.913 177.584 0.037 0.000 1.203 57 A CA 2.116 54.175 52.037 0.036 0.000 0.638 57 A CB -1.089 17.926 19.000 0.024 0.000 0.831 57 A HN 0.446 nan 8.150 nan 0.000 0.450 58 A N -1.450 121.373 122.820 0.005 0.000 2.015 58 A HA -0.019 4.302 4.320 0.002 0.000 0.219 58 A C 1.889 179.483 177.584 0.017 0.000 1.163 58 A CA 1.887 53.908 52.037 -0.027 0.000 0.646 58 A CB -0.378 18.602 19.000 -0.034 0.000 0.806 58 A HN 0.472 nan 8.150 nan 0.000 0.448 59 E N 0.428 120.647 120.200 0.032 0.000 2.106 59 E HA -0.120 4.231 4.350 0.002 0.000 0.192 59 E C 1.950 178.589 176.600 0.064 0.000 0.984 59 E CA 1.510 57.935 56.400 0.042 0.000 0.806 59 E CB -0.186 29.533 29.700 0.032 0.000 0.750 59 E HN 0.785 nan 8.360 nan 0.000 0.458 60 E N -0.846 119.398 120.200 0.074 0.000 2.112 60 E HA -0.087 4.264 4.350 0.002 0.000 0.190 60 E C 0.742 177.424 176.600 0.137 0.000 0.979 60 E CA 0.588 57.038 56.400 0.084 0.000 0.814 60 E CB -0.083 29.659 29.700 0.069 0.000 0.762 60 E HN 0.342 nan 8.360 nan 0.000 0.460 61 H N 1.647 120.735 119.070 0.029 0.000 2.628 61 H HA 0.233 4.790 4.556 0.002 0.000 0.250 61 H C -2.600 172.759 175.328 0.052 0.000 1.442 61 H CA -2.796 53.270 56.048 0.028 0.000 1.282 61 H CB 0.494 30.268 29.762 0.020 0.000 1.487 61 H HN -0.145 nan 8.280 nan 0.000 0.544 62 P HA -0.018 nan 4.420 nan 0.000 0.271 62 P C -0.679 176.759 177.300 0.230 0.000 1.233 62 P CA -0.184 63.022 63.100 0.177 0.000 0.764 62 P CB 0.611 32.453 31.700 0.238 0.000 0.825 63 L N 4.239 125.506 121.223 0.073 0.000 2.395 63 L HA 0.322 4.663 4.340 0.002 0.000 0.269 63 L C 0.877 177.952 176.870 0.342 0.000 1.133 63 L CA 0.386 55.277 54.840 0.086 0.000 0.812 63 L CB -0.045 41.972 42.059 -0.070 0.000 1.125 63 L HN 0.432 nan 8.230 nan 0.000 0.452 64 H N 0.529 119.619 119.070 0.034 0.000 2.690 64 H HA 0.770 5.328 4.556 0.002 0.000 0.368 64 H C -0.102 175.249 175.328 0.038 0.000 1.150 64 H CA -0.731 55.341 56.048 0.041 0.000 1.174 64 H CB 2.275 32.071 29.762 0.057 0.000 1.684 64 H HN 0.787 nan 8.280 nan 0.000 0.538 65 G N -0.216 108.649 108.800 0.108 0.000 2.348 65 G HA2 -0.020 3.941 3.960 0.002 0.000 0.606 65 G HA3 -0.020 3.941 3.960 0.002 0.000 0.606 65 G C 0.596 175.510 174.900 0.023 0.000 1.466 65 G CA -0.294 44.846 45.100 0.067 0.000 0.950 65 G HN 0.772 nan 8.290 nan 0.000 0.657 66 G N -0.653 108.152 108.800 0.009 0.000 2.414 66 G HA2 0.294 4.255 3.960 0.002 0.000 0.215 66 G HA3 0.294 4.255 3.960 0.002 0.000 0.215 66 G C 0.935 175.820 174.900 -0.026 0.000 1.188 66 G CA 1.916 47.004 45.100 -0.019 0.000 0.783 66 G HN 1.140 nan 8.290 nan 0.000 0.537 67 T N 0.197 114.746 114.554 -0.008 0.000 2.909 67 T HA 0.581 4.932 4.350 0.002 0.000 0.289 67 T C 0.141 174.845 174.700 0.007 0.000 1.005 67 T CA 0.383 62.477 62.100 -0.010 0.000 1.084 67 T CB 1.609 70.478 68.868 0.003 0.000 0.975 67 T HN 0.587 nan 8.240 nan 0.000 0.509 68 G N 1.139 109.943 108.800 0.007 0.000 2.596 68 G HA2 0.559 4.520 3.960 0.002 0.000 0.296 68 G HA3 0.559 4.520 3.960 0.002 0.000 0.296 68 G C -1.611 173.305 174.900 0.027 0.000 1.513 68 G CA -0.856 44.256 45.100 0.021 0.000 0.851 68 G HN 0.987 nan 8.290 nan 0.000 0.548 69 I N -1.492 119.098 120.570 0.033 0.000 2.913 69 I HA 0.961 5.132 4.170 0.002 0.000 0.302 69 I C -0.295 175.849 176.117 0.045 0.000 1.246 69 I CA -1.183 60.141 61.300 0.040 0.000 1.010 69 I CB 2.024 40.050 38.000 0.044 0.000 1.259 69 I HN 1.248 nan 8.210 nan 0.000 0.434 70 A N 2.545 125.394 122.820 0.049 0.000 2.583 70 A HA 0.942 5.263 4.320 0.002 0.000 0.299 70 A C -1.508 176.135 177.584 0.099 0.000 1.258 70 A CA -0.328 51.745 52.037 0.060 0.000 0.682 70 A CB 1.543 20.566 19.000 0.039 0.000 1.332 70 A HN 1.087 nan 8.150 nan 0.000 0.485 71 H N -0.956 118.078 119.070 -0.060 0.000 3.057 71 H HA 0.503 5.060 4.556 0.002 0.000 0.308 71 H C -1.991 173.264 175.328 -0.122 0.000 1.276 71 H CA 0.197 56.176 56.048 -0.115 0.000 1.325 71 H CB 1.146 30.797 29.762 -0.185 0.000 1.963 71 H HN 0.753 nan 8.280 nan 0.000 0.524 72 T N 4.161 119.001 114.554 0.476 0.000 2.881 72 T HA 0.448 4.800 4.350 0.002 0.000 0.291 72 T C -0.012 174.832 174.700 0.240 0.000 0.990 72 T CA -0.820 61.407 62.100 0.211 0.000 0.976 72 T CB 1.587 70.498 68.868 0.071 0.000 0.970 72 T HN 0.498 nan 8.240 nan 0.000 0.438 73 R N 1.931 122.446 120.500 0.024 0.000 2.460 73 R HA 0.478 4.819 4.340 0.002 0.000 0.303 73 R C -1.366 174.979 176.300 0.074 0.000 0.968 73 R CA -0.846 55.255 56.100 0.001 0.000 0.889 73 R CB 1.019 31.166 30.300 -0.255 0.000 1.123 73 R HN 0.662 nan 8.270 nan 0.000 0.455 74 W N 5.140 126.364 121.300 -0.127 0.000 2.295 74 W HA 0.476 5.138 4.660 0.002 0.000 0.333 74 W C -1.346 175.084 176.519 -0.148 0.000 0.990 74 W CA -1.681 55.544 57.345 -0.200 0.000 1.453 74 W CB 0.477 29.790 29.460 -0.245 0.000 1.263 74 W HN 0.646 nan 8.180 nan 0.000 0.380 75 A N 4.817 127.725 122.820 0.146 0.000 2.437 75 A HA 0.351 4.672 4.320 0.002 0.000 0.303 75 A C 1.279 178.839 177.584 -0.039 0.000 1.324 75 A CA 0.456 52.500 52.037 0.012 0.000 0.983 75 A CB -0.057 18.966 19.000 0.038 0.000 1.142 75 A HN 0.730 nan 8.150 nan 0.000 0.541 76 T N -0.024 114.358 114.554 -0.287 0.000 2.852 76 T HA -0.003 4.348 4.350 0.002 0.000 0.256 76 T C 0.709 175.209 174.700 -0.333 0.000 1.038 76 T CA 0.855 62.727 62.100 -0.379 0.000 1.141 76 T CB -0.352 68.095 68.868 -0.702 0.000 0.869 76 T HN 0.633 nan 8.240 nan 0.000 0.439 77 H N 1.723 120.740 119.070 -0.089 0.000 2.782 77 H HA 0.451 5.008 4.556 0.002 0.000 0.285 77 H C 0.817 176.130 175.328 -0.026 0.000 1.093 77 H CA -0.458 55.558 56.048 -0.053 0.000 1.410 77 H CB 0.773 30.501 29.762 -0.057 0.000 1.439 77 H HN 0.460 nan 8.280 nan 0.000 0.469 78 G N 4.595 113.441 108.800 0.076 0.000 3.090 78 G HA2 -0.035 3.926 3.960 0.002 0.000 0.259 78 G HA3 -0.035 3.926 3.960 0.002 0.000 0.259 78 G C 0.629 175.560 174.900 0.052 0.000 0.797 78 G CA -0.365 44.765 45.100 0.050 0.000 2.032 78 G HN 0.557 nan 8.290 nan 0.000 0.614 79 E N 0.906 121.142 120.200 0.061 0.000 2.470 79 E HA 0.027 4.378 4.350 0.002 0.000 0.258 79 E C -2.053 174.571 176.600 0.041 0.000 1.295 79 E CA -1.090 55.337 56.400 0.045 0.000 1.032 79 E CB 0.119 29.846 29.700 0.044 0.000 0.980 79 E HN 0.127 nan 8.360 nan 0.000 0.500 80 P HA -0.096 nan 4.420 nan 0.000 0.258 80 P C 0.638 177.966 177.300 0.046 0.000 1.187 80 P CA 0.389 63.511 63.100 0.036 0.000 0.767 80 P CB 0.236 31.956 31.700 0.033 0.000 0.770 81 S N 4.051 119.776 115.700 0.042 0.000 2.506 81 S HA -0.347 4.124 4.470 0.002 0.000 0.312 81 S C 1.695 176.328 174.600 0.055 0.000 1.079 81 S CA 1.656 59.883 58.200 0.045 0.000 1.755 81 S CB -1.318 61.904 63.200 0.035 0.000 1.371 81 S HN 0.566 nan 8.310 nan 0.000 0.430 82 E N 0.644 120.873 120.200 0.048 0.000 2.209 82 E HA -0.117 4.234 4.350 0.002 0.000 0.196 82 E C 1.873 178.517 176.600 0.073 0.000 0.993 82 E CA 1.137 57.566 56.400 0.048 0.000 0.819 82 E CB -0.304 29.419 29.700 0.037 0.000 0.745 82 E HN 0.440 nan 8.360 nan 0.000 0.477 83 V N 1.434 121.399 119.914 0.085 0.000 2.490 83 V HA -0.260 3.861 4.120 0.002 0.000 0.250 83 V C 1.401 177.624 176.094 0.215 0.000 1.061 83 V CA 2.238 64.609 62.300 0.118 0.000 1.064 83 V CB -0.634 31.237 31.823 0.079 0.000 0.670 83 V HN 0.399 nan 8.190 nan 0.000 0.461 84 N N 0.546 119.357 118.700 0.185 0.000 2.463 84 N HA 0.207 4.948 4.740 0.002 0.000 0.181 84 N C 0.747 176.500 175.510 0.406 0.000 1.078 84 N CA 0.472 53.682 53.050 0.268 0.000 0.902 84 N CB -0.086 38.491 38.487 0.149 0.000 0.970 84 N HN 0.453 nan 8.380 nan 0.000 0.451 85 A N 1.434 124.357 122.820 0.173 0.000 2.511 85 A HA 0.055 4.376 4.320 0.002 0.000 0.242 85 A C -0.205 177.216 177.584 -0.271 0.000 1.069 85 A CA -0.037 52.011 52.037 0.019 0.000 0.763 85 A CB -0.098 18.880 19.000 -0.037 0.000 1.001 85 A HN 0.342 nan 8.150 nan 0.000 0.498 86 H N 1.654 120.362 119.070 -0.604 0.000 2.499 86 H HA 0.364 4.921 4.556 0.002 0.000 0.352 86 H C -2.363 172.764 175.328 -0.335 0.000 1.237 86 H CA -2.501 53.125 56.048 -0.703 0.000 1.343 86 H CB 0.265 29.848 29.762 -0.298 0.000 1.578 86 H HN 0.409 nan 8.280 nan 0.000 0.577 87 P HA -0.029 nan 4.420 nan 0.000 0.266 87 P C -0.633 176.541 177.300 -0.211 0.000 1.195 87 P CA 0.595 63.666 63.100 -0.049 0.000 0.768 87 P CB 0.492 32.190 31.700 -0.003 0.000 0.838 88 H N 0.562 119.626 119.070 -0.010 0.000 2.469 88 H HA 0.440 4.997 4.556 0.002 0.000 0.342 88 H C 0.118 175.375 175.328 -0.118 0.000 1.115 88 H CA -0.640 55.347 56.048 -0.102 0.000 1.204 88 H CB 1.672 31.302 29.762 -0.220 0.000 1.492 88 H HN 0.174 nan 8.280 nan 0.000 0.499 89 V N 0.315 120.243 119.914 0.024 0.000 3.103 89 V HA 0.717 4.839 4.120 0.002 0.000 0.318 89 V C 0.262 176.300 176.094 -0.094 0.000 1.114 89 V CA -0.790 61.491 62.300 -0.031 0.000 1.020 89 V CB 2.118 33.952 31.823 0.018 0.000 1.085 89 V HN 0.713 nan 8.190 nan 0.000 0.446 90 S N 0.285 115.957 115.700 -0.046 0.000 2.606 90 S HA 0.469 4.940 4.470 0.002 0.000 0.156 90 S C -0.195 174.513 174.600 0.180 0.000 1.308 90 S CA 0.397 58.663 58.200 0.110 0.000 1.228 90 S CB -0.848 62.379 63.200 0.045 0.000 1.568 90 S HN 1.244 nan 8.310 nan 0.000 0.397 91 E N 1.050 121.346 120.200 0.160 0.000 2.460 91 E HA -0.230 4.121 4.350 0.002 0.000 0.267 91 E C -0.152 176.563 176.600 0.190 0.000 1.267 91 E CA 0.965 57.493 56.400 0.212 0.000 1.227 91 E CB -1.293 28.627 29.700 0.367 0.000 1.943 91 E HN 0.723 nan 8.360 nan 0.000 0.605 92 H N 1.142 120.220 119.070 0.014 0.000 2.547 92 H HA 0.234 4.791 4.556 0.002 0.000 0.266 92 H C 0.489 175.807 175.328 -0.017 0.000 0.988 92 H CA 0.533 56.571 56.048 -0.016 0.000 1.147 92 H CB -0.106 29.620 29.762 -0.060 0.000 1.365 92 H HN 0.112 nan 8.280 nan 0.000 0.589 93 I N 3.021 123.385 120.570 -0.342 0.000 2.307 93 I HA 0.106 4.277 4.170 0.002 0.000 0.287 93 I C -0.192 175.846 176.117 -0.132 0.000 1.054 93 I CA -1.062 60.063 61.300 -0.293 0.000 1.218 93 I CB 1.091 38.907 38.000 -0.307 0.000 1.398 93 I HN -0.131 nan 8.210 nan 0.000 0.475 94 V N 6.695 126.562 119.914 -0.078 0.000 2.904 94 V HA 0.639 4.760 4.120 0.002 0.000 0.305 94 V C 0.028 176.106 176.094 -0.026 0.000 1.067 94 V CA -0.665 61.614 62.300 -0.034 0.000 1.044 94 V CB 1.970 33.790 31.823 -0.004 0.000 1.050 94 V HN 0.334 nan 8.190 nan 0.000 0.475 95 V N 3.379 123.295 119.914 0.002 0.000 2.770 95 V HA 0.230 4.351 4.120 0.002 0.000 0.280 95 V C -0.380 175.782 176.094 0.114 0.000 1.189 95 V CA -0.445 61.872 62.300 0.029 0.000 0.932 95 V CB 1.808 33.611 31.823 -0.034 0.000 1.065 95 V HN 0.840 nan 8.190 nan 0.000 0.462 96 V N 2.227 122.257 119.914 0.193 0.000 3.109 96 V HA 0.940 5.061 4.120 0.002 0.000 0.317 96 V C -0.312 176.050 176.094 0.447 0.000 1.074 96 V CA -0.048 62.501 62.300 0.414 0.000 1.033 96 V CB 1.930 33.949 31.823 0.328 0.000 1.111 96 V HN 1.148 nan 8.190 nan 0.000 0.458 97 H N 0.957 120.266 119.070 0.398 0.000 2.967 97 H HA 0.545 5.102 4.556 0.002 0.000 0.318 97 H C -2.031 173.385 175.328 0.146 0.000 1.375 97 H CA -0.841 55.336 56.048 0.215 0.000 1.132 97 H CB 1.562 31.445 29.762 0.202 0.000 1.848 97 H HN 0.807 nan 8.280 nan 0.000 0.524 98 N N 0.065 118.633 118.700 -0.219 0.000 2.352 98 N HA 0.570 5.311 4.740 0.002 0.000 0.291 98 N C 0.062 175.427 175.510 -0.242 0.000 1.040 98 N CA 1.001 53.844 53.050 -0.346 0.000 0.864 98 N CB 1.868 40.216 38.487 -0.232 0.000 1.440 98 N HN 1.289 nan 8.380 nan 0.000 0.483 99 G N 1.575 110.210 108.800 -0.275 0.000 2.250 99 G HA2 0.153 4.114 3.960 0.002 0.000 0.196 99 G HA3 0.153 4.114 3.960 0.002 0.000 0.196 99 G C -1.770 173.148 174.900 0.031 0.000 1.308 99 G CA -0.167 44.915 45.100 -0.030 0.000 1.207 99 G HN 0.801 nan 8.290 nan 0.000 0.505 100 I N -0.143 120.536 120.570 0.182 0.000 2.841 100 I HA 0.670 4.841 4.170 0.002 0.000 0.298 100 I C -1.365 174.826 176.117 0.123 0.000 1.304 100 I CA -1.053 60.326 61.300 0.131 0.000 1.019 100 I CB 2.095 40.122 38.000 0.046 0.000 1.282 100 I HN 0.586 nan 8.210 nan 0.000 0.432 101 I N 6.739 127.316 120.570 0.011 0.000 2.405 101 I HA 0.334 4.505 4.170 0.002 0.000 0.280 101 I C 1.072 177.206 176.117 0.028 0.000 1.027 101 I CA -0.560 60.732 61.300 -0.012 0.000 1.161 101 I CB 0.812 38.760 38.000 -0.086 0.000 1.300 101 I HN 0.615 nan 8.210 nan 0.000 0.463 102 E N 4.560 124.796 120.200 0.060 0.000 2.035 102 E HA -0.218 4.133 4.350 0.002 0.000 0.204 102 E C 1.065 177.737 176.600 0.121 0.000 1.025 102 E CA 1.701 58.146 56.400 0.075 0.000 0.835 102 E CB -0.139 29.600 29.700 0.065 0.000 0.764 102 E HN 0.682 nan 8.360 nan 0.000 0.457 103 N N 2.143 120.890 118.700 0.079 0.000 2.441 103 N HA -0.097 4.644 4.740 0.002 0.000 0.225 103 N C 1.024 176.552 175.510 0.029 0.000 1.208 103 N CA 0.195 53.270 53.050 0.041 0.000 0.847 103 N CB -0.615 37.879 38.487 0.011 0.000 1.121 103 N HN 0.347 nan 8.380 nan 0.000 0.479 104 H N -0.883 118.141 119.070 -0.076 0.000 2.568 104 H HA 0.075 4.632 4.556 0.002 0.000 0.275 104 H C 0.436 175.684 175.328 -0.134 0.000 1.028 104 H CA 0.527 56.511 56.048 -0.106 0.000 1.173 104 H CB 0.399 30.099 29.762 -0.104 0.000 1.335 104 H HN 0.278 nan 8.280 nan 0.000 0.614 105 E N 1.055 120.986 120.200 -0.448 0.000 2.192 105 E HA 0.142 4.493 4.350 0.002 0.000 0.196 105 E C -0.943 175.486 176.600 -0.284 0.000 0.922 105 E CA -0.152 55.955 56.400 -0.489 0.000 0.924 105 E CB -0.348 29.106 29.700 -0.410 0.000 0.911 105 E HN 0.317 nan 8.360 nan 0.000 0.478 106 P HA -0.112 nan 4.420 nan 0.000 0.226 106 P C 0.977 178.198 177.300 -0.131 0.000 1.146 106 P CA 1.033 64.054 63.100 -0.131 0.000 0.773 106 P CB 0.118 31.768 31.700 -0.083 0.000 0.772 107 L N -1.250 119.881 121.223 -0.153 0.000 2.185 107 L HA 0.094 4.435 4.340 0.002 0.000 0.198 107 L C 2.762 179.536 176.870 -0.159 0.000 1.079 107 L CA 0.602 55.369 54.840 -0.122 0.000 0.780 107 L CB -0.551 41.455 42.059 -0.088 0.000 0.955 107 L HN -0.159 nan 8.230 nan 0.000 0.462 108 R N 0.243 120.567 120.500 -0.293 0.000 2.133 108 R HA -0.216 4.125 4.340 0.002 0.000 0.247 108 R C 2.099 178.167 176.300 -0.388 0.000 1.151 108 R CA 1.596 57.352 56.100 -0.572 0.000 0.971 108 R CB 0.075 29.863 30.300 -0.853 0.000 0.866 108 R HN 0.334 nan 8.270 nan 0.000 0.447 109 E N 0.351 120.389 120.200 -0.270 0.000 2.006 109 E HA -0.221 4.131 4.350 0.002 0.000 0.192 109 E C 1.734 178.265 176.600 -0.115 0.000 0.993 109 E CA 1.069 57.360 56.400 -0.183 0.000 0.808 109 E CB -0.490 29.115 29.700 -0.158 0.000 0.764 109 E HN 0.445 nan 8.360 nan 0.000 0.449 110 E N 0.683 120.815 120.200 -0.114 0.000 2.233 110 E HA -0.215 4.136 4.350 0.002 0.000 0.199 110 E C 2.137 178.676 176.600 -0.101 0.000 1.004 110 E CA 0.838 57.171 56.400 -0.112 0.000 0.819 110 E CB -0.038 29.593 29.700 -0.116 0.000 0.738 110 E HN 0.169 nan 8.360 nan 0.000 0.478 111 L N -0.138 121.074 121.223 -0.018 0.000 2.102 111 L HA -0.052 4.289 4.340 0.002 0.000 0.202 111 L C 2.708 179.745 176.870 0.278 0.000 1.076 111 L CA 0.823 55.741 54.840 0.131 0.000 0.761 111 L CB -0.218 42.001 42.059 0.268 0.000 0.921 111 L HN -0.026 nan 8.230 nan 0.000 0.444 112 K N 0.167 120.734 120.400 0.278 0.000 2.113 112 K HA -0.204 4.117 4.320 0.002 0.000 0.208 112 K C 2.002 178.648 176.600 0.077 0.000 1.047 112 K CA 1.330 57.760 56.287 0.237 0.000 0.928 112 K CB -0.169 32.387 32.500 0.094 0.000 0.716 112 K HN 0.325 nan 8.250 nan 0.000 0.446 113 A N 1.347 124.173 122.820 0.009 0.000 1.844 113 A HA -0.235 4.086 4.320 0.002 0.000 0.214 113 A C 1.874 179.422 177.584 -0.060 0.000 1.217 113 A CA 1.906 53.916 52.037 -0.044 0.000 0.644 113 A CB -0.812 18.140 19.000 -0.081 0.000 0.850 113 A HN 0.304 nan 8.150 nan 0.000 0.456 114 R N -1.023 119.411 120.500 -0.109 0.000 2.294 114 R HA -0.133 4.208 4.340 0.002 0.000 0.250 114 R C 1.131 177.328 176.300 -0.172 0.000 1.181 114 R CA 0.963 56.938 56.100 -0.209 0.000 1.016 114 R CB -0.355 29.657 30.300 -0.479 0.000 0.869 114 R HN 0.924 nan 8.270 nan 0.000 0.476 115 G N -2.093 106.619 108.800 -0.147 0.000 2.731 115 G HA2 -0.133 3.828 3.960 0.002 0.000 0.219 115 G HA3 -0.133 3.828 3.960 0.002 0.000 0.219 115 G C -0.798 173.893 174.900 -0.348 0.000 0.989 115 G CA -0.843 44.099 45.100 -0.263 0.000 0.871 115 G HN 0.106 nan 8.290 nan 0.000 0.591 116 Y N 1.054 121.297 120.300 -0.095 0.000 2.360 116 Y HA 0.628 5.179 4.550 0.002 0.000 0.337 116 Y C 0.518 176.315 175.900 -0.171 0.000 1.039 116 Y CA -0.390 57.561 58.100 -0.248 0.000 1.109 116 Y CB 2.244 40.508 38.460 -0.327 0.000 1.201 116 Y HN -0.017 nan 8.280 nan 0.000 0.458 117 T N 5.599 120.068 114.554 -0.142 0.000 3.029 117 T HA 0.249 4.601 4.350 0.002 0.000 0.346 117 T C -0.563 174.124 174.700 -0.021 0.000 1.211 117 T CA -0.499 61.589 62.100 -0.019 0.000 1.009 117 T CB -0.858 67.985 68.868 -0.041 0.000 1.084 117 T HN 0.243 nan 8.240 nan 0.000 0.536 118 F N 3.313 123.297 119.950 0.056 0.000 2.685 118 F HA 0.096 4.624 4.527 0.002 0.000 0.349 118 F C 1.818 177.641 175.800 0.039 0.000 1.294 118 F CA -0.976 57.077 58.000 0.088 0.000 1.201 118 F CB -0.593 38.427 39.000 0.032 0.000 1.615 118 F HN 0.424 nan 8.300 nan 0.000 0.674 119 V N 0.266 120.253 119.914 0.122 0.000 3.413 119 V HA -0.092 4.030 4.120 0.002 0.000 0.276 119 V C 0.616 176.746 176.094 0.061 0.000 1.237 119 V CA 0.970 63.318 62.300 0.080 0.000 1.215 119 V CB -1.750 30.108 31.823 0.058 0.000 0.907 119 V HN 0.695 nan 8.190 nan 0.000 0.572 120 S N -1.440 114.308 115.700 0.081 0.000 2.707 120 S HA 0.304 4.775 4.470 0.002 0.000 0.270 120 S C -1.192 173.423 174.600 0.024 0.000 1.031 120 S CA -0.651 57.561 58.200 0.020 0.000 0.866 120 S CB 0.986 64.141 63.200 -0.075 0.000 1.114 120 S HN 0.463 nan 8.310 nan 0.000 0.465 121 E N 1.747 121.936 120.200 -0.018 0.000 2.267 121 E HA 0.458 4.809 4.350 0.002 0.000 0.241 121 E C -0.936 175.648 176.600 -0.027 0.000 0.950 121 E CA -0.401 55.987 56.400 -0.019 0.000 0.776 121 E CB 1.294 30.980 29.700 -0.022 0.000 1.207 121 E HN 0.677 nan 8.360 nan 0.000 0.436 122 T N -0.853 113.655 114.554 -0.076 0.000 3.011 122 T HA 0.061 4.412 4.350 0.002 0.000 0.303 122 T C 0.417 175.058 174.700 -0.098 0.000 0.997 122 T CA -1.107 60.930 62.100 -0.104 0.000 1.007 122 T CB 1.215 69.920 68.868 -0.271 0.000 1.017 122 T HN 0.252 nan 8.240 nan 0.000 0.443 123 D N 2.134 122.502 120.400 -0.053 0.000 2.417 123 D HA -0.081 4.560 4.640 0.002 0.000 0.253 123 D C 0.746 176.865 176.300 -0.302 0.000 1.171 123 D CA 0.440 54.389 54.000 -0.085 0.000 0.984 123 D CB -0.196 40.492 40.800 -0.187 0.000 0.893 123 D HN 0.534 nan 8.370 nan 0.000 0.516 124 T N 0.226 114.569 114.554 -0.351 0.000 3.156 124 T HA -0.067 4.284 4.350 0.002 0.000 0.236 124 T C 1.528 176.021 174.700 -0.344 0.000 0.978 124 T CA 0.602 62.406 62.100 -0.493 0.000 1.240 124 T CB 0.108 68.687 68.868 -0.481 0.000 0.951 124 T HN 0.310 nan 8.240 nan 0.000 0.420 125 E N 1.190 121.176 120.200 -0.356 0.000 2.187 125 E HA -0.167 4.184 4.350 0.002 0.000 0.199 125 E C 2.041 178.441 176.600 -0.332 0.000 1.004 125 E CA 1.429 57.594 56.400 -0.392 0.000 0.813 125 E CB -0.324 29.163 29.700 -0.355 0.000 0.736 125 E HN 0.270 nan 8.360 nan 0.000 0.468 126 V N 0.732 120.608 119.914 -0.063 0.000 2.233 126 V HA -0.285 3.836 4.120 0.002 0.000 0.247 126 V C 2.157 178.171 176.094 -0.132 0.000 1.050 126 V CA 2.249 64.592 62.300 0.072 0.000 1.010 126 V CB -0.379 31.464 31.823 0.033 0.000 0.637 126 V HN 0.421 nan 8.190 nan 0.000 0.444 127 I N 0.838 121.282 120.570 -0.211 0.000 2.069 127 I HA -0.280 3.891 4.170 0.002 0.000 0.237 127 I C 2.878 178.871 176.117 -0.207 0.000 1.053 127 I CA 2.032 63.207 61.300 -0.208 0.000 1.311 127 I CB -1.188 36.663 38.000 -0.249 0.000 1.030 127 I HN 0.428 nan 8.210 nan 0.000 0.398 128 A N 0.735 123.396 122.820 -0.266 0.000 1.896 128 A HA -0.304 4.018 4.320 0.002 0.000 0.220 128 A C 2.222 179.630 177.584 -0.294 0.000 1.206 128 A CA 2.340 54.211 52.037 -0.278 0.000 0.647 128 A CB -1.221 17.586 19.000 -0.321 0.000 0.828 128 A HN 0.505 nan 8.150 nan 0.000 0.455 129 H N -1.087 117.795 119.070 -0.313 0.000 2.293 129 H HA -0.118 4.439 4.556 0.002 0.000 0.300 129 H C 2.091 177.193 175.328 -0.376 0.000 1.082 129 H CA 1.666 57.380 56.048 -0.556 0.000 1.308 129 H CB -1.078 27.998 29.762 -1.144 0.000 1.375 129 H HN 0.418 nan 8.280 nan 0.000 0.495 130 L N 0.918 122.063 121.223 -0.130 0.000 2.021 130 L HA -0.184 4.157 4.340 0.002 0.000 0.215 130 L C 2.418 179.341 176.870 0.088 0.000 1.074 130 L CA 1.328 56.177 54.840 0.015 0.000 0.760 130 L CB -0.894 41.163 42.059 -0.003 0.000 0.889 130 L HN 0.030 nan 8.230 nan 0.000 0.433 131 V N 0.182 120.098 119.914 0.003 0.000 2.295 131 V HA -0.311 3.810 4.120 0.002 0.000 0.246 131 V C 2.533 178.640 176.094 0.021 0.000 1.049 131 V CA 1.908 64.209 62.300 0.001 0.000 1.024 131 V CB -1.088 30.708 31.823 -0.046 0.000 0.648 131 V HN 0.636 nan 8.190 nan 0.000 0.447 132 N N -0.069 118.644 118.700 0.021 0.000 2.036 132 N HA -0.289 4.452 4.740 0.002 0.000 0.199 132 N C 1.891 177.545 175.510 0.239 0.000 1.036 132 N CA 2.534 55.661 53.050 0.129 0.000 0.870 132 N CB -0.422 38.192 38.487 0.212 0.000 1.055 132 N HN 0.767 nan 8.380 nan 0.000 0.436 133 W N 1.613 123.001 121.300 0.147 0.000 2.425 133 W HA -0.066 4.595 4.660 0.002 0.000 0.277 133 W C 1.241 177.829 176.519 0.115 0.000 1.231 133 W CA 0.780 58.256 57.345 0.218 0.000 1.248 133 W CB -0.011 29.602 29.460 0.254 0.000 1.117 133 W HN 0.119 nan 8.180 nan 0.000 0.568 134 E N 0.834 120.993 120.200 -0.068 0.000 2.112 134 E HA -0.136 4.215 4.350 0.002 0.000 0.190 134 E C 2.307 178.812 176.600 -0.159 0.000 0.979 134 E CA 0.744 57.056 56.400 -0.148 0.000 0.814 134 E CB -0.664 29.051 29.700 0.024 0.000 0.762 134 E HN 0.363 nan 8.360 nan 0.000 0.460 135 L N 0.905 122.082 121.223 -0.077 0.000 2.072 135 L HA -0.086 4.255 4.340 0.002 0.000 0.205 135 L C 2.381 179.207 176.870 -0.072 0.000 1.079 135 L CA 1.082 55.900 54.840 -0.038 0.000 0.752 135 L CB -0.083 41.993 42.059 0.029 0.000 0.906 135 L HN 0.026 nan 8.230 nan 0.000 0.436 136 K N -0.479 119.860 120.400 -0.103 0.000 2.281 136 K HA -0.176 4.145 4.320 0.002 0.000 0.203 136 K C 1.630 178.075 176.600 -0.259 0.000 1.046 136 K CA 0.940 57.139 56.287 -0.146 0.000 0.938 136 K CB 0.199 32.617 32.500 -0.137 0.000 0.737 136 K HN 0.409 nan 8.250 nan 0.000 0.458 137 Q N -0.069 119.514 119.800 -0.363 0.000 2.415 137 Q HA 0.095 4.436 4.340 0.002 0.000 0.206 137 Q C 0.366 176.261 176.000 -0.174 0.000 0.946 137 Q CA 0.645 56.247 55.803 -0.334 0.000 0.951 137 Q CB 0.812 29.311 28.738 -0.399 0.000 1.026 137 Q HN 0.436 nan 8.270 nan 0.000 0.510 138 G N -0.782 107.942 108.800 -0.126 0.000 2.629 138 G HA2 0.222 4.183 3.960 0.002 0.000 0.686 138 G HA3 0.222 4.183 3.960 0.002 0.000 0.686 138 G C 0.003 174.871 174.900 -0.053 0.000 1.232 138 G CA -0.393 44.663 45.100 -0.072 0.000 0.803 138 G HN 0.631 nan 8.290 nan 0.000 0.638 139 G N -1.120 107.662 108.800 -0.031 0.000 2.472 139 G HA2 0.513 4.474 3.960 0.002 0.000 0.205 139 G HA3 0.513 4.474 3.960 0.002 0.000 0.205 139 G C 0.342 175.235 174.900 -0.011 0.000 1.270 139 G CA 0.788 45.872 45.100 -0.025 0.000 0.974 139 G HN 2.999 nan 8.290 nan 0.000 0.542 140 T N -1.433 113.111 114.554 -0.017 0.000 2.888 140 T HA 0.591 4.942 4.350 0.002 0.000 0.284 140 T C 1.549 176.244 174.700 -0.008 0.000 1.017 140 T CA 0.496 62.594 62.100 -0.003 0.000 1.022 140 T CB 1.741 70.597 68.868 -0.020 0.000 1.013 140 T HN 1.977 nan 8.240 nan 0.000 0.465 141 L N 2.521 123.756 121.223 0.019 0.000 2.064 141 L HA -0.224 4.117 4.340 0.002 0.000 0.234 141 L C 2.694 179.550 176.870 -0.023 0.000 1.103 141 L CA 2.657 57.502 54.840 0.007 0.000 0.824 141 L CB -0.985 41.093 42.059 0.032 0.000 0.919 141 L HN 0.973 nan 8.230 nan 0.000 0.447 142 R N -0.877 119.598 120.500 -0.042 0.000 2.105 142 R HA -0.223 4.119 4.340 0.002 0.000 0.239 142 R C 2.284 178.515 176.300 -0.115 0.000 1.135 142 R CA 1.987 58.029 56.100 -0.096 0.000 0.967 142 R CB -0.265 29.938 30.300 -0.162 0.000 0.861 142 R HN 0.631 nan 8.270 nan 0.000 0.442 143 E N -0.650 119.496 120.200 -0.091 0.000 2.107 143 E HA -0.113 4.238 4.350 0.002 0.000 0.191 143 E C 1.767 178.338 176.600 -0.049 0.000 0.982 143 E CA 1.101 57.454 56.400 -0.079 0.000 0.809 143 E CB 0.036 29.699 29.700 -0.061 0.000 0.756 143 E HN 0.500 nan 8.360 nan 0.000 0.459 144 A N 0.139 122.937 122.820 -0.036 0.000 1.854 144 A HA -0.097 4.224 4.320 0.002 0.000 0.214 144 A C 2.386 179.965 177.584 -0.009 0.000 1.192 144 A CA 0.952 52.975 52.037 -0.023 0.000 0.611 144 A CB -0.660 18.327 19.000 -0.022 0.000 0.832 144 A HN 0.142 nan 8.150 nan 0.000 0.442 145 V N -0.044 119.862 119.914 -0.012 0.000 2.287 145 V HA -0.261 3.860 4.120 0.002 0.000 0.248 145 V C 2.499 178.600 176.094 0.013 0.000 1.053 145 V CA 2.012 64.314 62.300 0.005 0.000 1.027 145 V CB -0.832 30.994 31.823 0.005 0.000 0.646 145 V HN 0.509 nan 8.190 nan 0.000 0.447 146 L N -0.252 120.962 121.223 -0.016 0.000 2.089 146 L HA -0.220 4.121 4.340 0.002 0.000 0.213 146 L C 2.563 179.438 176.870 0.010 0.000 1.079 146 L CA 1.952 56.783 54.840 -0.016 0.000 0.758 146 L CB -0.816 41.203 42.059 -0.067 0.000 0.891 146 L HN 0.276 nan 8.230 nan 0.000 0.433 147 R N -1.700 118.807 120.500 0.011 0.000 2.057 147 R HA -0.030 4.311 4.340 0.002 0.000 0.229 147 R C 2.192 178.524 176.300 0.053 0.000 1.136 147 R CA 1.176 57.293 56.100 0.030 0.000 0.952 147 R CB -0.546 29.769 30.300 0.025 0.000 0.848 147 R HN 0.414 nan 8.270 nan 0.000 0.430 148 A N 1.751 124.604 122.820 0.055 0.000 1.908 148 A HA -0.158 4.163 4.320 0.002 0.000 0.218 148 A C 2.100 179.729 177.584 0.074 0.000 1.181 148 A CA 1.220 53.296 52.037 0.065 0.000 0.627 148 A CB -0.469 18.561 19.000 0.049 0.000 0.818 148 A HN 0.114 nan 8.150 nan 0.000 0.445 149 I N 0.130 120.753 120.570 0.089 0.000 2.194 149 I HA -0.179 3.992 4.170 0.002 0.000 0.246 149 I C -0.677 175.518 176.117 0.130 0.000 1.093 149 I CA 1.508 62.892 61.300 0.141 0.000 1.355 149 I CB -2.412 35.665 38.000 0.128 0.000 1.046 149 I HN 0.206 nan 8.210 nan 0.000 0.413 150 P HA -0.090 nan 4.420 nan 0.000 0.239 150 P C 1.473 178.818 177.300 0.075 0.000 1.184 150 P CA 1.025 64.171 63.100 0.077 0.000 0.760 150 P CB -0.047 31.688 31.700 0.059 0.000 0.884 151 Q N -1.389 118.457 119.800 0.077 0.000 2.378 151 Q HA 0.167 4.508 4.340 0.002 0.000 0.216 151 Q C 0.311 176.344 176.000 0.056 0.000 0.892 151 Q CA 0.079 55.919 55.803 0.060 0.000 0.931 151 Q CB 0.297 29.069 28.738 0.057 0.000 1.086 151 Q HN 0.276 nan 8.270 nan 0.000 0.528 152 L N 2.249 123.520 121.223 0.081 0.000 2.265 152 L HA 0.367 4.708 4.340 0.002 0.000 0.288 152 L C 0.122 177.083 176.870 0.152 0.000 1.058 152 L CA -0.070 54.810 54.840 0.067 0.000 0.809 152 L CB 0.709 42.751 42.059 -0.027 0.000 1.179 152 L HN 0.042 nan 8.230 nan 0.000 0.429 153 R N 1.803 122.367 120.500 0.107 0.000 2.532 153 R HA 0.746 5.087 4.340 0.002 0.000 0.272 153 R C 0.174 176.566 176.300 0.154 0.000 1.032 153 R CA -0.210 55.963 56.100 0.122 0.000 1.089 153 R CB 1.700 32.045 30.300 0.075 0.000 1.098 153 R HN 0.857 nan 8.270 nan 0.000 0.526 154 G N -0.292 108.598 108.800 0.151 0.000 2.612 154 G HA2 0.042 4.003 3.960 0.002 0.000 0.686 154 G HA3 0.042 4.003 3.960 0.002 0.000 0.686 154 G C -1.284 173.747 174.900 0.218 0.000 1.274 154 G CA -0.497 44.702 45.100 0.166 0.000 0.849 154 G HN 0.726 nan 8.290 nan 0.000 0.595 155 A N 0.832 123.749 122.820 0.160 0.000 2.279 155 A HA 0.896 5.217 4.320 0.002 0.000 0.306 155 A C -0.178 177.520 177.584 0.189 0.000 1.300 155 A CA 0.605 52.700 52.037 0.098 0.000 0.925 155 A CB 0.015 19.038 19.000 0.037 0.000 1.152 155 A HN 2.181 nan 8.150 nan 0.000 0.544 156 Y N 0.032 120.360 120.300 0.046 0.000 2.829 156 Y HA 0.848 5.399 4.550 0.002 0.000 0.322 156 Y C -0.087 175.843 175.900 0.050 0.000 1.357 156 Y CA -1.246 56.889 58.100 0.058 0.000 1.081 156 Y CB 0.765 39.322 38.460 0.163 0.000 1.339 156 Y HN 0.896 nan 8.280 nan 0.000 0.469 157 G N 0.003 108.923 108.800 0.200 0.000 2.739 157 G HA2 0.513 4.474 3.960 0.002 0.000 0.292 157 G HA3 0.513 4.474 3.960 0.002 0.000 0.292 157 G C -1.838 173.212 174.900 0.250 0.000 1.444 157 G CA -0.395 44.754 45.100 0.082 0.000 1.144 157 G HN 0.946 nan 8.290 nan 0.000 0.550 158 T N 0.204 114.914 114.554 0.260 0.000 2.982 158 T HA 0.590 4.941 4.350 0.002 0.000 0.321 158 T C -0.938 173.857 174.700 0.158 0.000 1.229 158 T CA -0.315 61.938 62.100 0.256 0.000 1.044 158 T CB 1.826 70.909 68.868 0.359 0.000 1.184 158 T HN 0.602 nan 8.240 nan 0.000 0.477 159 V N 5.018 125.003 119.914 0.118 0.000 2.716 159 V HA 0.707 4.828 4.120 0.002 0.000 0.304 159 V C -0.089 176.048 176.094 0.072 0.000 1.053 159 V CA -0.624 61.724 62.300 0.080 0.000 0.984 159 V CB 1.559 33.416 31.823 0.056 0.000 1.021 159 V HN 0.824 nan 8.190 nan 0.000 0.467 160 I N 4.124 124.721 120.570 0.045 0.000 2.692 160 I HA 0.542 4.713 4.170 0.002 0.000 0.293 160 I C -0.555 175.566 176.117 0.007 0.000 1.200 160 I CA -0.354 60.958 61.300 0.019 0.000 1.036 160 I CB 2.021 40.029 38.000 0.013 0.000 1.258 160 I HN 0.704 nan 8.210 nan 0.000 0.421 161 M N 4.539 124.133 119.600 -0.011 0.000 2.631 161 M HA 0.623 5.104 4.480 0.002 0.000 0.288 161 M C -2.185 174.089 176.300 -0.043 0.000 1.260 161 M CA -0.370 54.925 55.300 -0.009 0.000 0.842 161 M CB 2.803 35.406 32.600 0.006 0.000 1.743 161 M HN 0.477 nan 8.290 nan 0.000 0.461 162 D N 0.847 121.232 120.400 -0.025 0.000 2.375 162 D HA 0.307 4.948 4.640 0.002 0.000 0.259 162 D C 0.068 176.362 176.300 -0.009 0.000 1.235 162 D CA -0.363 53.598 54.000 -0.065 0.000 0.924 162 D CB 1.091 41.829 40.800 -0.103 0.000 1.143 162 D HN 0.696 nan 8.370 nan 0.000 0.529 163 S N 2.611 118.318 115.700 0.013 0.000 2.535 163 S HA -0.228 4.243 4.470 0.002 0.000 0.259 163 S C 1.562 176.192 174.600 0.049 0.000 0.977 163 S CA 0.669 58.898 58.200 0.047 0.000 0.962 163 S CB -0.213 63.024 63.200 0.063 0.000 0.742 163 S HN 0.534 nan 8.310 nan 0.000 0.530 164 R N 0.146 120.641 120.500 -0.009 0.000 2.237 164 R HA 0.203 4.544 4.340 0.002 0.000 0.195 164 R C 0.166 176.572 176.300 0.178 0.000 0.956 164 R CA 0.603 56.664 56.100 -0.066 0.000 1.029 164 R CB 0.199 30.241 30.300 -0.429 0.000 0.972 164 R HN 0.617 nan 8.270 nan 0.000 0.493 165 H N -0.191 118.911 119.070 0.052 0.000 2.490 165 H HA 0.150 4.707 4.556 0.002 0.000 0.230 165 H C -2.042 173.299 175.328 0.021 0.000 1.417 165 H CA -1.656 54.410 56.048 0.031 0.000 1.449 165 H CB 1.469 31.253 29.762 0.036 0.000 1.649 165 H HN 0.040 nan 8.280 nan 0.000 0.519 166 P HA -0.067 nan 4.420 nan 0.000 0.249 166 P C 0.780 178.105 177.300 0.042 0.000 1.229 166 P CA 0.458 63.598 63.100 0.067 0.000 0.788 166 P CB 0.230 31.962 31.700 0.053 0.000 1.072 167 D N -0.553 119.874 120.400 0.045 0.000 2.368 167 D HA -0.015 4.626 4.640 0.002 0.000 0.250 167 D C -0.279 176.030 176.300 0.015 0.000 1.142 167 D CA 0.398 54.408 54.000 0.017 0.000 0.925 167 D CB -0.660 40.143 40.800 0.005 0.000 0.896 167 D HN -0.019 nan 8.370 nan 0.000 0.525 168 T N -1.427 113.141 114.554 0.025 0.000 2.831 168 T HA 0.391 4.742 4.350 0.002 0.000 0.333 168 T C -0.519 174.195 174.700 0.023 0.000 1.684 168 T CA -0.798 61.315 62.100 0.022 0.000 1.049 168 T CB 1.300 70.188 68.868 0.034 0.000 1.518 168 T HN -0.032 nan 8.240 nan 0.000 0.491 169 L N 0.947 122.182 121.223 0.020 0.000 2.426 169 L HA 0.803 5.144 4.340 0.002 0.000 0.260 169 L C -1.353 175.534 176.870 0.029 0.000 1.233 169 L CA -1.252 53.600 54.840 0.021 0.000 1.267 169 L CB 0.981 43.049 42.059 0.015 0.000 1.814 169 L HN 0.304 nan 8.230 nan 0.000 0.561 170 L N 0.450 121.693 121.223 0.033 0.000 3.055 170 L HA 0.503 4.844 4.340 0.002 0.000 0.261 170 L C -1.299 175.601 176.870 0.049 0.000 0.939 170 L CA 0.086 54.950 54.840 0.041 0.000 1.091 170 L CB 1.393 43.469 42.059 0.029 0.000 1.690 170 L HN 0.768 nan 8.230 nan 0.000 0.520 171 A N 3.032 125.886 122.820 0.057 0.000 2.430 171 A HA 1.069 5.391 4.320 0.002 0.000 0.300 171 A C -0.962 176.662 177.584 0.067 0.000 1.124 171 A CA 0.097 52.169 52.037 0.060 0.000 0.766 171 A CB 2.222 21.247 19.000 0.042 0.000 1.328 171 A HN 1.183 nan 8.150 nan 0.000 0.424 172 A N 0.285 123.147 122.820 0.071 0.000 2.594 172 A HA 0.797 5.118 4.320 0.002 0.000 0.295 172 A C -0.631 176.944 177.584 -0.015 0.000 1.071 172 A CA -0.538 51.529 52.037 0.050 0.000 0.685 172 A CB 1.274 20.326 19.000 0.086 0.000 1.285 172 A HN 1.208 nan 8.150 nan 0.000 0.405 173 R N 0.442 120.905 120.500 -0.062 0.000 2.711 173 R HA 0.789 5.130 4.340 0.002 0.000 0.284 173 R C -0.315 175.852 176.300 -0.222 0.000 0.968 173 R CA 0.066 56.093 56.100 -0.121 0.000 0.924 173 R CB 1.766 32.035 30.300 -0.053 0.000 1.162 173 R HN 0.639 nan 8.270 nan 0.000 0.465 174 S N 0.994 116.489 115.700 -0.341 0.000 2.475 174 S HA 0.244 4.715 4.470 0.002 0.000 0.270 174 S C 0.269 174.711 174.600 -0.263 0.000 1.026 174 S CA 0.200 58.155 58.200 -0.407 0.000 1.437 174 S CB 1.349 63.977 63.200 -0.954 0.000 1.215 174 S HN 0.888 nan 8.310 nan 0.000 0.648 175 G N 0.706 109.381 108.800 -0.207 0.000 4.476 175 G HA2 0.235 4.196 3.960 0.002 0.000 0.169 175 G HA3 0.235 4.196 3.960 0.002 0.000 0.169 175 G C -0.202 174.662 174.900 -0.060 0.000 0.802 175 G CA 0.667 45.712 45.100 -0.091 0.000 0.782 175 G HN 0.449 nan 8.290 nan 0.000 0.461 176 S N 1.364 117.018 115.700 -0.077 0.000 2.542 176 S HA 0.785 5.256 4.470 0.002 0.000 0.293 176 S C -3.018 171.559 174.600 -0.038 0.000 1.089 176 S CA -1.435 56.739 58.200 -0.043 0.000 0.961 176 S CB 2.493 65.671 63.200 -0.036 0.000 1.062 176 S HN -0.009 nan 8.310 nan 0.000 0.483 177 P HA 0.239 nan 4.420 nan 0.000 0.268 177 P C -1.177 176.109 177.300 -0.023 0.000 1.205 177 P CA -0.356 62.747 63.100 0.004 0.000 0.771 177 P CB 0.260 31.977 31.700 0.029 0.000 0.858 178 L N 3.589 124.798 121.223 -0.022 0.000 2.611 178 L HA 0.334 4.675 4.340 0.002 0.000 0.263 178 L C -1.178 175.641 176.870 -0.085 0.000 0.969 178 L CA -0.740 54.067 54.840 -0.055 0.000 0.894 178 L CB 2.061 44.101 42.059 -0.033 0.000 1.229 178 L HN 0.144 nan 8.230 nan 0.000 0.416 179 V N 5.842 125.641 119.914 -0.193 0.000 2.555 179 V HA 0.578 4.699 4.120 0.002 0.000 0.302 179 V C 0.179 176.099 176.094 -0.289 0.000 1.038 179 V CA -0.500 61.598 62.300 -0.338 0.000 0.887 179 V CB 2.405 33.732 31.823 -0.826 0.000 0.991 179 V HN 0.614 nan 8.190 nan 0.000 0.434 180 I N 4.892 125.354 120.570 -0.180 0.000 2.764 180 I HA 0.476 4.647 4.170 0.002 0.000 0.294 180 I C 1.096 177.210 176.117 -0.005 0.000 1.045 180 I CA 0.292 61.556 61.300 -0.060 0.000 1.340 180 I CB 1.215 39.217 38.000 0.003 0.000 1.436 180 I HN 0.763 nan 8.210 nan 0.000 0.567 181 G N 5.554 114.437 108.800 0.137 0.000 4.876 181 G HA2 0.447 4.408 3.960 0.002 0.000 0.304 181 G HA3 0.447 4.408 3.960 0.002 0.000 0.304 181 G C -0.254 174.851 174.900 0.341 0.000 1.396 181 G CA -0.497 44.819 45.100 0.359 0.000 0.978 181 G HN 0.411 nan 8.290 nan 0.000 0.565 182 L N 1.066 122.420 121.223 0.218 0.000 2.720 182 L HA 0.226 4.567 4.340 0.002 0.000 0.289 182 L C 1.137 178.101 176.870 0.157 0.000 1.232 182 L CA 0.682 55.608 54.840 0.144 0.000 0.915 182 L CB -0.050 42.058 42.059 0.080 0.000 1.184 182 L HN 0.388 nan 8.230 nan 0.000 0.491 183 G N 3.430 112.332 108.800 0.171 0.000 2.866 183 G HA2 0.569 4.530 3.960 0.002 0.000 0.289 183 G HA3 0.569 4.530 3.960 0.002 0.000 0.289 183 G C -0.792 174.175 174.900 0.112 0.000 1.396 183 G CA -0.878 44.343 45.100 0.202 0.000 0.848 183 G HN 0.432 nan 8.290 nan 0.000 0.515 184 M N 2.112 121.773 119.600 0.102 0.000 2.923 184 M HA 0.329 4.810 4.480 0.002 0.000 0.311 184 M C 0.992 177.311 176.300 0.031 0.000 1.376 184 M CA 0.663 55.994 55.300 0.052 0.000 1.468 184 M CB 0.160 32.786 32.600 0.043 0.000 1.151 184 M HN 1.217 nan 8.290 nan 0.000 0.517 185 G N 2.962 111.770 108.800 0.014 0.000 2.291 185 G HA2 -0.226 3.735 3.960 0.002 0.000 0.271 185 G HA3 -0.226 3.735 3.960 0.002 0.000 0.271 185 G C -0.276 174.603 174.900 -0.034 0.000 1.099 185 G CA 0.506 45.602 45.100 -0.007 0.000 0.919 185 G HN 0.892 nan 8.290 nan 0.000 0.496 186 E N -0.466 119.699 120.200 -0.059 0.000 2.482 186 E HA -0.033 4.318 4.350 0.002 0.000 0.251 186 E C -0.600 175.846 176.600 -0.257 0.000 1.151 186 E CA -0.474 55.821 56.400 -0.174 0.000 0.547 186 E CB -1.016 28.593 29.700 -0.151 0.000 1.084 186 E HN 0.458 nan 8.360 nan 0.000 0.417 187 N N 2.582 121.161 118.700 -0.203 0.000 2.482 187 N HA 0.347 5.088 4.740 0.002 0.000 0.260 187 N C -0.587 174.736 175.510 -0.312 0.000 1.236 187 N CA 0.259 53.240 53.050 -0.115 0.000 0.938 187 N CB 0.447 38.915 38.487 -0.031 0.000 1.128 187 N HN 0.141 nan 8.380 nan 0.000 0.448 188 F N 0.232 120.198 119.950 0.028 0.000 2.661 188 F HA 0.688 5.216 4.527 0.002 0.000 0.347 188 F C 0.226 176.016 175.800 -0.016 0.000 1.086 188 F CA -0.963 57.043 58.000 0.010 0.000 1.016 188 F CB 1.083 40.093 39.000 0.016 0.000 1.368 188 F HN 0.269 nan 8.300 nan 0.000 0.505 189 I N 0.160 120.834 120.570 0.174 0.000 2.908 189 I HA 0.796 4.967 4.170 0.002 0.000 0.300 189 I C -1.847 174.261 176.117 -0.016 0.000 1.385 189 I CA -0.410 60.910 61.300 0.034 0.000 1.004 189 I CB 1.948 39.960 38.000 0.020 0.000 1.309 189 I HN 0.808 nan 8.210 nan 0.000 0.449 190 A N 3.339 126.103 122.820 -0.093 0.000 2.583 190 A HA 0.498 4.819 4.320 0.002 0.000 0.292 190 A C -0.387 177.110 177.584 -0.145 0.000 1.045 190 A CA 0.114 52.080 52.037 -0.118 0.000 0.672 190 A CB 1.201 20.113 19.000 -0.147 0.000 1.283 190 A HN 0.735 nan 8.150 nan 0.000 0.419 191 S N -0.137 115.485 115.700 -0.129 0.000 2.575 191 S HA 0.198 4.669 4.470 0.002 0.000 0.215 191 S C 0.051 174.593 174.600 -0.097 0.000 0.966 191 S CA 1.016 59.149 58.200 -0.112 0.000 0.911 191 S CB -0.270 62.858 63.200 -0.119 0.000 0.780 191 S HN 0.756 nan 8.310 nan 0.000 0.514 192 D N 0.082 120.410 120.400 -0.121 0.000 2.886 192 D HA 0.084 4.725 4.640 0.002 0.000 0.216 192 D C 0.711 176.905 176.300 -0.177 0.000 1.256 192 D CA -0.249 53.694 54.000 -0.093 0.000 0.844 192 D CB 1.540 42.337 40.800 -0.005 0.000 1.669 192 D HN 0.296 nan 8.370 nan 0.000 0.513 193 Q N 2.945 122.596 119.800 -0.248 0.000 2.167 193 Q HA -0.103 4.238 4.340 0.002 0.000 0.202 193 Q C 2.022 177.900 176.000 -0.203 0.000 0.970 193 Q CA 0.643 56.159 55.803 -0.479 0.000 0.855 193 Q CB -0.013 28.360 28.738 -0.610 0.000 0.911 193 Q HN 0.587 nan 8.270 nan 0.000 0.438 194 L N 0.819 122.008 121.223 -0.057 0.000 2.171 194 L HA -0.279 4.062 4.340 0.002 0.000 0.216 194 L C 2.320 179.182 176.870 -0.012 0.000 1.084 194 L CA 1.545 56.389 54.840 0.008 0.000 0.771 194 L CB -0.379 41.714 42.059 0.056 0.000 0.890 194 L HN 0.432 nan 8.230 nan 0.000 0.437 195 A N -1.181 121.606 122.820 -0.055 0.000 2.067 195 A HA 0.001 4.322 4.320 0.002 0.000 0.217 195 A C 1.925 179.455 177.584 -0.091 0.000 1.156 195 A CA 0.810 52.811 52.037 -0.060 0.000 0.683 195 A CB -0.181 18.774 19.000 -0.075 0.000 0.808 195 A HN 0.507 nan 8.150 nan 0.000 0.455 196 L N -0.466 120.682 121.223 -0.126 0.000 2.693 196 L HA 0.190 4.531 4.340 0.002 0.000 0.235 196 L C 1.514 178.360 176.870 -0.040 0.000 1.127 196 L CA -0.023 54.732 54.840 -0.142 0.000 0.914 196 L CB -0.001 41.945 42.059 -0.188 0.000 1.193 196 L HN 0.339 nan 8.230 nan 0.000 0.502 197 L N 0.608 121.848 121.223 0.028 0.000 2.129 197 L HA -0.148 4.193 4.340 0.002 0.000 0.212 197 L C -0.489 176.376 176.870 -0.008 0.000 1.087 197 L CA 1.115 56.000 54.840 0.075 0.000 0.757 197 L CB -1.867 40.230 42.059 0.064 0.000 0.896 197 L HN 0.277 nan 8.230 nan 0.000 0.434 198 P HA -0.041 nan 4.420 nan 0.000 0.245 198 P C 1.197 178.422 177.300 -0.125 0.000 1.212 198 P CA 0.695 63.750 63.100 -0.076 0.000 0.774 198 P CB 0.098 31.757 31.700 -0.067 0.000 0.999 199 V N -6.318 113.470 119.914 -0.211 0.000 3.431 199 V HA 0.345 4.466 4.120 0.002 0.000 0.255 199 V C 0.606 176.602 176.094 -0.163 0.000 1.403 199 V CA 0.727 62.866 62.300 -0.269 0.000 1.101 199 V CB 0.477 31.879 31.823 -0.701 0.000 0.891 199 V HN 0.096 nan 8.190 nan 0.000 0.446 200 T N -0.659 113.819 114.554 -0.126 0.000 2.816 200 T HA 0.606 4.957 4.350 0.002 0.000 0.299 200 T C -0.375 174.233 174.700 -0.153 0.000 1.230 200 T CA -0.367 61.692 62.100 -0.068 0.000 1.007 200 T CB 2.271 71.168 68.868 0.050 0.000 1.289 200 T HN 0.198 nan 8.240 nan 0.000 0.508 201 R N 0.164 120.369 120.500 -0.492 0.000 2.676 201 R HA 0.209 4.550 4.340 0.002 0.000 0.241 201 R C 0.066 175.625 176.300 -1.234 0.000 0.964 201 R CA -0.185 55.390 56.100 -0.876 0.000 1.054 201 R CB 0.352 30.443 30.300 -0.347 0.000 1.603 201 R HN 0.507 nan 8.270 nan 0.000 0.577 202 R N 1.081 121.151 120.500 -0.718 0.000 2.442 202 R HA 0.252 4.593 4.340 0.002 0.000 0.291 202 R C -0.863 175.154 176.300 -0.471 0.000 1.069 202 R CA 0.485 56.317 56.100 -0.446 0.000 1.022 202 R CB 0.228 30.436 30.300 -0.154 0.000 0.976 202 R HN -0.221 nan 8.270 nan 0.000 0.443 203 F N 3.301 123.277 119.950 0.043 0.000 2.902 203 F HA 0.321 4.849 4.527 0.002 0.000 0.368 203 F C -0.052 175.725 175.800 -0.039 0.000 1.202 203 F CA -1.362 56.594 58.000 -0.073 0.000 1.109 203 F CB 0.580 39.452 39.000 -0.213 0.000 1.418 203 F HN 0.322 nan 8.300 nan 0.000 0.527 204 I N 4.142 124.807 120.570 0.158 0.000 2.671 204 I HA -0.036 4.135 4.170 0.002 0.000 0.285 204 I C 0.078 176.215 176.117 0.033 0.000 1.148 204 I CA 0.400 61.789 61.300 0.150 0.000 1.386 204 I CB -0.194 37.861 38.000 0.091 0.000 1.406 204 I HN 0.229 nan 8.210 nan 0.000 0.540 205 F N 6.646 126.642 119.950 0.077 0.000 2.399 205 F HA 0.497 5.026 4.527 0.002 0.000 0.313 205 F C 0.508 176.325 175.800 0.027 0.000 1.202 205 F CA -0.288 57.737 58.000 0.041 0.000 1.192 205 F CB 0.462 39.485 39.000 0.037 0.000 1.256 205 F HN 0.184 nan 8.300 nan 0.000 0.558 206 L N 0.118 121.439 121.223 0.164 0.000 2.333 206 L HA 0.576 4.918 4.340 0.002 0.000 0.263 206 L C -0.497 176.427 176.870 0.089 0.000 1.014 206 L CA -1.150 53.749 54.840 0.097 0.000 0.820 206 L CB 1.614 43.703 42.059 0.050 0.000 1.352 206 L HN 0.350 nan 8.230 nan 0.000 0.421 207 E N 0.474 120.711 120.200 0.061 0.000 2.227 207 E HA 0.269 4.620 4.350 0.002 0.000 0.268 207 E C -0.824 175.789 176.600 0.022 0.000 0.990 207 E CA -0.967 55.459 56.400 0.044 0.000 0.856 207 E CB 1.712 31.433 29.700 0.036 0.000 1.159 207 E HN 0.443 nan 8.360 nan 0.000 0.401 208 E N -0.041 120.164 120.200 0.008 0.000 2.696 208 E HA 0.038 4.389 4.350 0.002 0.000 0.270 208 E C 0.211 176.808 176.600 -0.005 0.000 0.958 208 E CA 1.577 57.970 56.400 -0.013 0.000 0.964 208 E CB 0.084 29.775 29.700 -0.014 0.000 0.948 208 E HN 0.680 nan 8.360 nan 0.000 0.472 209 G N 3.625 112.411 108.800 -0.023 0.000 2.374 209 G HA2 -0.244 3.717 3.960 0.002 0.000 0.289 209 G HA3 -0.244 3.717 3.960 0.002 0.000 0.289 209 G C -0.833 174.081 174.900 0.024 0.000 1.004 209 G CA 0.393 45.492 45.100 -0.003 0.000 1.292 209 G HN 0.499 nan 8.290 nan 0.000 0.502 210 D N -0.272 120.143 120.400 0.025 0.000 2.696 210 D HA 0.539 5.180 4.640 0.002 0.000 0.251 210 D C 0.053 176.395 176.300 0.069 0.000 1.188 210 D CA -0.329 53.704 54.000 0.055 0.000 0.876 210 D CB 1.148 41.975 40.800 0.045 0.000 1.334 210 D HN 0.239 nan 8.370 nan 0.000 0.540 211 I N 2.368 123.009 120.570 0.118 0.000 2.359 211 I HA 0.512 4.683 4.170 0.002 0.000 0.284 211 I C -0.023 176.207 176.117 0.188 0.000 1.018 211 I CA -0.531 60.843 61.300 0.124 0.000 1.173 211 I CB 1.409 39.472 38.000 0.104 0.000 1.326 211 I HN 0.351 nan 8.210 nan 0.000 0.462 212 A N 5.507 128.408 122.820 0.136 0.000 2.301 212 A HA 0.428 4.749 4.320 0.002 0.000 0.312 212 A C 0.070 177.738 177.584 0.140 0.000 1.182 212 A CA -0.428 51.699 52.037 0.149 0.000 0.826 212 A CB 0.591 19.643 19.000 0.086 0.000 1.134 212 A HN 0.751 nan 8.150 nan 0.000 0.501 213 E N 3.687 123.996 120.200 0.182 0.000 2.731 213 E HA 0.381 4.732 4.350 0.002 0.000 0.220 213 E C -0.597 176.058 176.600 0.091 0.000 1.087 213 E CA -0.375 56.099 56.400 0.124 0.000 1.020 213 E CB -0.108 29.676 29.700 0.139 0.000 1.339 213 E HN 0.649 nan 8.360 nan 0.000 0.444 214 I N 1.765 122.371 120.570 0.060 0.000 3.246 214 I HA 0.092 4.263 4.170 0.002 0.000 0.280 214 I C 0.814 176.942 176.117 0.018 0.000 1.239 214 I CA 0.675 61.996 61.300 0.034 0.000 1.336 214 I CB 0.743 38.753 38.000 0.018 0.000 1.383 214 I HN 0.493 nan 8.210 nan 0.000 0.617 215 T N 0.365 114.917 114.554 -0.003 0.000 2.800 215 T HA 0.156 4.507 4.350 0.002 0.000 0.327 215 T C 0.286 174.963 174.700 -0.038 0.000 1.838 215 T CA -0.855 61.235 62.100 -0.017 0.000 1.024 215 T CB 0.759 69.627 68.868 -0.000 0.000 1.755 215 T HN 0.769 nan 8.240 nan 0.000 0.507 216 R N 0.465 120.936 120.500 -0.050 0.000 2.200 216 R HA 0.057 4.398 4.340 0.002 0.000 0.234 216 R C 0.876 177.149 176.300 -0.044 0.000 1.127 216 R CA 1.012 57.070 56.100 -0.069 0.000 0.989 216 R CB -0.006 30.256 30.300 -0.064 0.000 0.869 216 R HN 0.476 nan 8.270 nan 0.000 0.459 217 R N 0.440 120.925 120.500 -0.024 0.000 2.690 217 R HA 0.171 4.512 4.340 0.002 0.000 0.419 217 R C -0.593 175.705 176.300 -0.002 0.000 1.090 217 R CA 0.319 56.412 56.100 -0.011 0.000 1.064 217 R CB 1.129 31.424 30.300 -0.008 0.000 1.391 217 R HN 0.310 nan 8.270 nan 0.000 0.586 218 S N -1.651 114.049 115.700 0.000 0.000 2.660 218 S HA 0.488 4.959 4.470 0.002 0.000 0.264 218 S C -1.730 172.881 174.600 0.018 0.000 1.131 218 S CA -0.629 57.577 58.200 0.011 0.000 0.846 218 S CB 1.612 64.822 63.200 0.017 0.000 1.151 218 S HN -0.149 nan 8.310 nan 0.000 0.486 219 V N 1.628 121.557 119.914 0.025 0.000 2.966 219 V HA 0.568 4.689 4.120 0.002 0.000 0.288 219 V C -1.644 174.465 176.094 0.026 0.000 1.380 219 V CA -0.791 61.529 62.300 0.033 0.000 0.966 219 V CB 2.219 34.059 31.823 0.027 0.000 1.115 219 V HN 0.980 nan 8.190 nan 0.000 0.436 220 N N 2.738 121.469 118.700 0.051 0.000 2.651 220 N HA 0.459 5.200 4.740 0.002 0.000 0.277 220 N C -0.612 174.845 175.510 -0.087 0.000 1.787 220 N CA -0.508 52.533 53.050 -0.015 0.000 0.818 220 N CB 0.489 39.027 38.487 0.085 0.000 1.316 220 N HN 0.527 nan 8.380 nan 0.000 0.503 221 I N 0.571 121.107 120.570 -0.058 0.000 3.288 221 I HA -0.162 4.009 4.170 0.002 0.000 0.319 221 I C -0.072 175.851 176.117 -0.323 0.000 1.188 221 I CA 1.137 62.414 61.300 -0.039 0.000 1.443 221 I CB -0.212 37.768 38.000 -0.033 0.000 1.290 221 I HN 0.183 nan 8.210 nan 0.000 0.560 222 F N 2.215 122.177 119.950 0.020 0.000 2.639 222 F HA 0.217 4.745 4.527 0.002 0.000 0.320 222 F C -0.254 175.557 175.800 0.019 0.000 1.128 222 F CA -1.337 56.675 58.000 0.019 0.000 1.037 222 F CB 1.163 40.175 39.000 0.019 0.000 1.288 222 F HN 0.629 nan 8.300 nan 0.000 0.463 223 D N 3.375 123.883 120.400 0.180 0.000 2.344 223 D HA 0.114 4.755 4.640 0.002 0.000 0.244 223 D C 0.805 177.181 176.300 0.126 0.000 1.134 223 D CA -0.384 53.687 54.000 0.119 0.000 0.930 223 D CB 1.369 42.214 40.800 0.074 0.000 1.175 223 D HN 0.777 nan 8.370 nan 0.000 0.437 224 K N 0.346 120.796 120.400 0.084 0.000 2.107 224 K HA -0.283 4.038 4.320 0.002 0.000 0.211 224 K C 1.768 178.406 176.600 0.063 0.000 1.049 224 K CA 2.109 58.436 56.287 0.067 0.000 0.927 224 K CB -1.253 31.277 32.500 0.049 0.000 0.714 224 K HN 0.585 nan 8.250 nan 0.000 0.452 225 T N -2.144 112.448 114.554 0.063 0.000 3.139 225 T HA 0.070 4.422 4.350 0.002 0.000 0.267 225 T C 1.465 176.203 174.700 0.063 0.000 1.164 225 T CA 1.194 63.327 62.100 0.055 0.000 1.075 225 T CB -0.417 68.481 68.868 0.050 0.000 0.904 225 T HN 0.661 nan 8.240 nan 0.000 0.540 226 G N 0.665 109.517 108.800 0.085 0.000 2.345 226 G HA2 -0.062 3.899 3.960 0.002 0.000 0.218 226 G HA3 -0.062 3.899 3.960 0.002 0.000 0.218 226 G C 0.456 175.479 174.900 0.205 0.000 1.058 226 G CA -0.129 45.022 45.100 0.085 0.000 0.632 226 G HN 1.326 nan 8.290 nan 0.000 0.508 227 A N 0.905 123.830 122.820 0.174 0.000 2.498 227 A HA 0.549 4.870 4.320 0.002 0.000 0.239 227 A C 0.610 178.327 177.584 0.221 0.000 1.068 227 A CA 1.210 53.352 52.037 0.174 0.000 0.766 227 A CB 0.211 19.266 19.000 0.092 0.000 1.003 227 A HN 0.765 nan 8.150 nan 0.000 0.497 228 E N -0.180 120.089 120.200 0.115 0.000 2.585 228 E HA 0.430 4.781 4.350 0.002 0.000 0.256 228 E C -0.072 176.431 176.600 -0.161 0.000 1.383 228 E CA 0.521 56.775 56.400 -0.245 0.000 1.029 228 E CB 0.566 30.049 29.700 -0.362 0.000 1.044 228 E HN 1.078 nan 8.360 nan 0.000 0.595 229 V N -2.140 117.628 119.914 -0.243 0.000 3.300 229 V HA 0.529 4.650 4.120 0.002 0.000 0.289 229 V C -1.955 174.060 176.094 -0.133 0.000 1.533 229 V CA -1.227 60.998 62.300 -0.126 0.000 1.059 229 V CB 1.816 33.597 31.823 -0.071 0.000 1.161 229 V HN 0.529 nan 8.190 nan 0.000 0.462 230 K N 1.621 121.978 120.400 -0.072 0.000 2.267 230 K HA 0.791 5.112 4.320 0.002 0.000 0.246 230 K C -1.156 175.431 176.600 -0.022 0.000 0.954 230 K CA -0.726 55.529 56.287 -0.053 0.000 0.824 230 K CB 1.906 34.384 32.500 -0.037 0.000 1.167 230 K HN 0.789 nan 8.250 nan 0.000 0.431 231 R N 1.401 121.898 120.500 -0.005 0.000 2.564 231 R HA 0.271 4.612 4.340 0.002 0.000 0.284 231 R C -0.564 175.762 176.300 0.044 0.000 1.031 231 R CA -1.042 55.074 56.100 0.027 0.000 0.904 231 R CB 1.338 31.664 30.300 0.043 0.000 1.199 231 R HN 0.472 nan 8.270 nan 0.000 0.443 232 Q N 1.904 121.737 119.800 0.055 0.000 2.299 232 Q HA 0.196 4.537 4.340 0.002 0.000 0.246 232 Q C -0.707 175.350 176.000 0.096 0.000 0.935 232 Q CA 0.142 55.980 55.803 0.057 0.000 0.887 232 Q CB 0.923 29.686 28.738 0.043 0.000 1.223 232 Q HN 0.468 nan 8.270 nan 0.000 0.439 233 D N 3.656 124.106 120.400 0.083 0.000 2.454 233 D HA 0.189 4.830 4.640 0.002 0.000 0.225 233 D C 0.635 176.995 176.300 0.099 0.000 1.081 233 D CA -0.443 53.625 54.000 0.113 0.000 0.864 233 D CB 0.302 41.148 40.800 0.076 0.000 1.040 233 D HN 0.585 nan 8.370 nan 0.000 0.517 234 I N -0.341 120.322 120.570 0.155 0.000 2.235 234 I HA 0.283 4.454 4.170 0.002 0.000 0.165 234 I C -0.074 176.080 176.117 0.063 0.000 1.422 234 I CA -0.068 61.301 61.300 0.116 0.000 0.549 234 I CB 0.188 38.281 38.000 0.155 0.000 1.900 234 I HN 0.403 nan 8.210 nan 0.000 1.128 235 E N 0.063 120.295 120.200 0.053 0.000 2.522 235 E HA 0.274 4.625 4.350 0.002 0.000 0.315 235 E C -0.798 175.804 176.600 0.003 0.000 0.917 235 E CA -0.321 56.046 56.400 -0.054 0.000 0.796 235 E CB 1.139 30.805 29.700 -0.058 0.000 1.323 235 E HN 0.851 nan 8.360 nan 0.000 0.397 236 S N 3.112 118.804 115.700 -0.013 0.000 2.737 236 S HA 0.063 4.534 4.470 0.002 0.000 0.249 236 S C 0.232 174.884 174.600 0.087 0.000 1.415 236 S CA 0.541 58.825 58.200 0.140 0.000 0.967 236 S CB 0.159 63.490 63.200 0.219 0.000 0.937 236 S HN 0.646 nan 8.310 nan 0.000 0.574 237 N N 0.589 119.357 118.700 0.112 0.000 2.498 237 N HA 0.187 4.928 4.740 0.002 0.000 0.272 237 N C -1.477 174.107 175.510 0.124 0.000 1.534 237 N CA -0.178 52.926 53.050 0.091 0.000 0.873 237 N CB 0.407 38.939 38.487 0.075 0.000 1.415 237 N HN 0.381 nan 8.380 nan 0.000 0.496 238 L N 1.699 122.999 121.223 0.128 0.000 2.709 238 L HA 0.370 4.711 4.340 0.002 0.000 0.236 238 L C 0.009 176.920 176.870 0.068 0.000 1.266 238 L CA 0.045 54.981 54.840 0.161 0.000 0.987 238 L CB 0.682 42.824 42.059 0.139 0.000 1.306 238 L HN -0.078 nan 8.230 nan 0.000 0.467 239 Q N 0.201 120.073 119.800 0.120 0.000 2.268 239 Q HA 0.168 4.509 4.340 0.002 0.000 0.289 239 Q C 0.059 176.109 176.000 0.084 0.000 0.893 239 Q CA 0.059 55.891 55.803 0.049 0.000 1.057 239 Q CB 0.133 28.900 28.738 0.047 0.000 1.173 239 Q HN 0.725 nan 8.270 nan 0.000 0.449 240 Y N -3.765 116.546 120.300 0.017 0.000 2.467 240 Y HA 0.476 5.027 4.550 0.002 0.000 0.259 240 Y C 0.413 176.322 175.900 0.016 0.000 1.084 240 Y CA -0.028 58.081 58.100 0.015 0.000 1.275 240 Y CB 0.941 39.414 38.460 0.021 0.000 1.208 240 Y HN -0.036 nan 8.280 nan 0.000 0.511 241 D N -0.881 118.978 120.400 -0.901 0.000 2.107 241 D HA 0.151 4.792 4.640 0.002 0.000 0.636 241 D C 1.372 177.342 176.300 -0.550 0.000 0.811 241 D CA 0.848 54.478 54.000 -0.617 0.000 1.172 241 D CB 0.304 40.808 40.800 -0.494 0.000 1.419 241 D HN 0.293 nan 8.370 nan 0.000 0.409 242 A N 0.562 122.955 122.820 -0.711 0.000 5.078 242 A HA -0.251 4.070 4.320 0.002 0.000 0.342 242 A C 1.546 179.022 177.584 -0.180 0.000 1.749 242 A CA 2.407 54.257 52.037 -0.311 0.000 0.700 242 A CB -1.676 17.229 19.000 -0.159 0.000 1.446 242 A HN 0.642 nan 8.150 nan 0.000 0.395 243 G N -0.279 108.478 108.800 -0.072 0.000 3.863 243 G HA2 0.457 4.418 3.960 0.002 0.000 0.290 243 G HA3 0.457 4.418 3.960 0.002 0.000 0.290 243 G C -0.319 174.653 174.900 0.120 0.000 1.018 243 G CA 1.418 46.559 45.100 0.067 0.000 0.824 243 G HN 1.008 nan 8.290 nan 0.000 0.507 244 D N -0.098 120.281 120.400 -0.034 0.000 2.272 244 D HA 0.481 5.122 4.640 0.002 0.000 0.247 244 D C 1.313 177.514 176.300 -0.165 0.000 0.990 244 D CA -0.683 53.263 54.000 -0.090 0.000 0.931 244 D CB 1.608 42.347 40.800 -0.101 0.000 1.195 244 D HN 0.078 nan 8.370 nan 0.000 0.477 245 K N 1.499 121.765 120.400 -0.225 0.000 2.354 245 K HA 0.335 4.656 4.320 0.002 0.000 0.210 245 K C 1.642 178.141 176.600 -0.168 0.000 1.184 245 K CA 0.148 56.325 56.287 -0.182 0.000 0.880 245 K CB -0.443 31.863 32.500 -0.322 0.000 1.328 245 K HN 0.548 nan 8.250 nan 0.000 0.466 246 G N 3.089 111.776 108.800 -0.190 0.000 4.230 246 G HA2 -0.455 3.506 3.960 0.002 0.000 0.340 246 G HA3 -0.455 3.506 3.960 0.002 0.000 0.340 246 G C 1.273 176.000 174.900 -0.289 0.000 1.315 246 G CA 1.347 46.328 45.100 -0.198 0.000 1.033 246 G HN 0.295 nan 8.290 nan 0.000 0.741 247 I N 0.359 120.667 120.570 -0.436 0.000 2.188 247 I HA -0.234 3.937 4.170 0.002 0.000 0.246 247 I C 1.592 177.272 176.117 -0.728 0.000 1.033 247 I CA 2.217 63.078 61.300 -0.733 0.000 1.307 247 I CB -0.599 36.640 38.000 -1.269 0.000 1.005 247 I HN 0.427 nan 8.210 nan 0.000 0.421 248 Y N -1.825 118.384 120.300 -0.151 0.000 2.587 248 Y HA 0.519 5.070 4.550 0.002 0.000 0.337 248 Y C 1.007 176.784 175.900 -0.205 0.000 1.065 248 Y CA -1.166 56.824 58.100 -0.184 0.000 1.126 248 Y CB 0.625 38.963 38.460 -0.202 0.000 1.279 248 Y HN -0.252 nan 8.280 nan 0.000 0.489 249 R N 0.028 120.512 120.500 -0.027 0.000 2.393 249 R HA 0.199 4.540 4.340 0.002 0.000 0.244 249 R C -0.960 175.112 176.300 -0.380 0.000 0.920 249 R CA 0.295 56.277 56.100 -0.197 0.000 1.076 249 R CB 0.114 30.293 30.300 -0.201 0.000 1.119 249 R HN 0.680 nan 8.270 nan 0.000 0.524 250 H N -1.673 117.387 119.070 -0.017 0.000 3.029 250 H HA 0.039 4.596 4.556 0.002 0.000 0.358 250 H C -0.426 174.872 175.328 -0.049 0.000 1.129 250 H CA -0.801 55.258 56.048 0.020 0.000 1.230 250 H CB 1.061 30.920 29.762 0.161 0.000 1.827 250 H HN -0.066 nan 8.280 nan 0.000 0.530 251 Y N 1.421 121.779 120.300 0.097 0.000 2.193 251 Y HA -0.281 4.271 4.550 0.002 0.000 0.285 251 Y C 2.725 178.598 175.900 -0.045 0.000 1.166 251 Y CA 2.072 60.175 58.100 0.006 0.000 1.181 251 Y CB -0.043 38.400 38.460 -0.028 0.000 0.976 251 Y HN 0.585 nan 8.280 nan 0.000 0.520 252 M N -0.070 119.607 119.600 0.129 0.000 2.229 252 M HA -0.219 4.262 4.480 0.002 0.000 0.264 252 M C 2.088 178.298 176.300 -0.150 0.000 1.063 252 M CA 1.661 56.965 55.300 0.006 0.000 1.114 252 M CB -0.219 32.401 32.600 0.032 0.000 1.387 252 M HN 0.284 nan 8.290 nan 0.000 0.420 253 Q N 0.356 120.019 119.800 -0.229 0.000 1.941 253 Q HA -0.242 4.099 4.340 0.002 0.000 0.201 253 Q C 2.154 177.853 176.000 -0.502 0.000 0.982 253 Q CA 2.181 57.687 55.803 -0.494 0.000 0.839 253 Q CB -0.262 28.215 28.738 -0.435 0.000 0.904 253 Q HN 0.601 nan 8.270 nan 0.000 0.427 254 K N 0.237 120.283 120.400 -0.591 0.000 2.077 254 K HA -0.295 4.027 4.320 0.002 0.000 0.213 254 K C 1.841 178.187 176.600 -0.422 0.000 1.051 254 K CA 2.143 57.903 56.287 -0.877 0.000 0.929 254 K CB -0.066 32.238 32.500 -0.326 0.000 0.715 254 K HN 0.160 nan 8.250 nan 0.000 0.451 255 E N 0.328 120.405 120.200 -0.205 0.000 2.110 255 E HA -0.128 4.223 4.350 0.002 0.000 0.193 255 E C 1.880 178.406 176.600 -0.123 0.000 0.988 255 E CA 1.362 57.699 56.400 -0.104 0.000 0.804 255 E CB 0.038 29.712 29.700 -0.043 0.000 0.745 255 E HN 0.373 nan 8.360 nan 0.000 0.458 256 I N -0.953 119.522 120.570 -0.158 0.000 2.188 256 I HA -0.207 3.964 4.170 0.002 0.000 0.237 256 I C 1.519 177.584 176.117 -0.087 0.000 1.073 256 I CA 0.758 61.991 61.300 -0.111 0.000 1.359 256 I CB -0.106 37.819 38.000 -0.125 0.000 1.083 256 I HN 0.132 nan 8.210 nan 0.000 0.412 257 Y N 0.875 120.989 120.300 -0.310 0.000 2.639 257 Y HA -0.172 4.379 4.550 0.002 0.000 0.297 257 Y C 2.016 177.791 175.900 -0.207 0.000 1.151 257 Y CA 1.050 58.998 58.100 -0.254 0.000 1.335 257 Y CB -0.174 38.098 38.460 -0.314 0.000 0.994 257 Y HN 0.250 nan 8.280 nan 0.000 0.548 258 E N -0.880 119.255 120.200 -0.108 0.000 2.451 258 E HA -0.024 4.327 4.350 0.002 0.000 0.194 258 E C 1.634 178.187 176.600 -0.079 0.000 1.027 258 E CA -0.094 56.260 56.400 -0.077 0.000 0.914 258 E CB 0.230 29.879 29.700 -0.086 0.000 1.054 258 E HN 0.476 nan 8.360 nan 0.000 0.461 259 Q N 0.239 119.983 119.800 -0.092 0.000 2.020 259 Q HA -0.053 4.288 4.340 0.002 0.000 0.198 259 Q C -1.018 174.935 176.000 -0.078 0.000 0.974 259 Q CA 1.395 57.147 55.803 -0.084 0.000 0.829 259 Q CB -0.314 28.367 28.738 -0.094 0.000 0.894 259 Q HN 0.260 nan 8.270 nan 0.000 0.433 260 P HA -0.221 nan 4.420 nan 0.000 0.212 260 P C 0.303 177.569 177.300 -0.057 0.000 1.174 260 P CA 1.649 64.708 63.100 -0.069 0.000 0.934 260 P CB -0.324 31.332 31.700 -0.074 0.000 0.791 261 N N -0.533 118.136 118.700 -0.052 0.000 2.348 261 N HA -0.136 4.605 4.740 0.002 0.000 0.185 261 N C 1.660 177.131 175.510 -0.066 0.000 1.019 261 N CA 1.295 54.315 53.050 -0.051 0.000 0.880 261 N CB -0.552 37.909 38.487 -0.043 0.000 0.965 261 N HN 0.147 nan 8.380 nan 0.000 0.437 262 A N 1.914 124.692 122.820 -0.071 0.000 1.877 262 A HA -0.083 4.238 4.320 0.002 0.000 0.216 262 A C 2.283 179.829 177.584 -0.063 0.000 1.186 262 A CA 0.923 52.914 52.037 -0.076 0.000 0.620 262 A CB -0.573 18.385 19.000 -0.070 0.000 0.822 262 A HN 0.178 nan 8.150 nan 0.000 0.443 263 I N -0.444 120.092 120.570 -0.057 0.000 2.315 263 I HA -0.220 3.951 4.170 0.002 0.000 0.248 263 I C 2.490 178.578 176.117 -0.049 0.000 1.117 263 I CA 1.345 62.614 61.300 -0.051 0.000 1.404 263 I CB -0.321 37.649 38.000 -0.050 0.000 1.071 263 I HN 0.283 nan 8.210 nan 0.000 0.419 264 K N 2.127 122.497 120.400 -0.050 0.000 2.059 264 K HA -0.258 4.063 4.320 0.002 0.000 0.212 264 K C 1.422 177.994 176.600 -0.045 0.000 1.050 264 K CA 2.360 58.619 56.287 -0.046 0.000 0.927 264 K CB -0.524 31.950 32.500 -0.044 0.000 0.714 264 K HN 0.381 nan 8.250 nan 0.000 0.447 265 N N -0.215 118.455 118.700 -0.050 0.000 2.515 265 N HA -0.036 4.705 4.740 0.002 0.000 0.185 265 N C 1.273 176.759 175.510 -0.040 0.000 1.109 265 N CA 0.980 54.002 53.050 -0.047 0.000 0.903 265 N CB 0.142 38.594 38.487 -0.059 0.000 0.969 265 N HN 0.242 nan 8.380 nan 0.000 0.450 266 T N 1.225 115.755 114.554 -0.040 0.000 2.612 266 T HA -0.068 4.284 4.350 0.002 0.000 0.251 266 T C 1.724 176.407 174.700 -0.029 0.000 1.090 266 T CA 1.109 63.189 62.100 -0.033 0.000 1.198 266 T CB -0.438 68.410 68.868 -0.033 0.000 0.878 266 T HN 0.155 nan 8.240 nan 0.000 0.401 267 L N 1.028 122.231 121.223 -0.034 0.000 2.349 267 L HA 0.123 4.464 4.340 0.002 0.000 0.220 267 L C 1.211 178.061 176.870 -0.033 0.000 1.130 267 L CA 0.670 55.489 54.840 -0.035 0.000 0.791 267 L CB -2.303 39.728 42.059 -0.047 0.000 0.918 267 L HN -0.006 nan 8.230 nan 0.000 0.444 268 T N 1.417 115.952 114.554 -0.032 0.000 2.939 268 T HA 0.309 4.660 4.350 0.002 0.000 0.312 268 T C 1.398 176.085 174.700 -0.021 0.000 1.064 268 T CA 1.276 63.359 62.100 -0.028 0.000 1.136 268 T CB 0.288 69.139 68.868 -0.028 0.000 1.035 268 T HN 0.801 nan 8.240 nan 0.000 0.538 269 G N 3.220 112.010 108.800 -0.017 0.000 2.189 269 G HA2 -0.335 3.626 3.960 0.002 0.000 0.267 269 G HA3 -0.335 3.626 3.960 0.002 0.000 0.267 269 G C 0.666 175.560 174.900 -0.010 0.000 0.975 269 G CA 0.601 45.694 45.100 -0.011 0.000 0.644 269 G HN 0.730 nan 8.290 nan 0.000 0.537 270 R N -0.599 119.892 120.500 -0.015 0.000 2.596 270 R HA 0.373 4.714 4.340 0.002 0.000 0.369 270 R C 0.187 176.475 176.300 -0.019 0.000 1.042 270 R CA -0.403 55.689 56.100 -0.014 0.000 1.120 270 R CB 0.664 30.954 30.300 -0.016 0.000 1.353 270 R HN 0.304 nan 8.270 nan 0.000 0.564 271 I N 1.727 122.286 120.570 -0.019 0.000 2.377 271 I HA 0.087 4.258 4.170 0.002 0.000 0.282 271 I C 0.288 176.413 176.117 0.013 0.000 1.091 271 I CA -0.041 61.244 61.300 -0.024 0.000 1.207 271 I CB 1.073 39.044 38.000 -0.047 0.000 1.429 271 I HN -0.042 nan 8.210 nan 0.000 0.491 272 S N 6.336 122.053 115.700 0.029 0.000 3.489 272 S HA 0.215 4.686 4.470 0.002 0.000 0.227 272 S C -0.055 174.638 174.600 0.154 0.000 1.360 272 S CA -0.026 58.216 58.200 0.070 0.000 0.934 272 S CB -0.675 62.547 63.200 0.036 0.000 1.410 272 S HN 0.626 nan 8.310 nan 0.000 0.483 273 H N 1.693 120.765 119.070 0.003 0.000 3.173 273 H HA -0.152 4.405 4.556 0.002 0.000 0.314 273 H C 1.203 176.563 175.328 0.055 0.000 0.930 273 H CA 0.973 57.038 56.048 0.028 0.000 0.983 273 H CB -1.190 28.592 29.762 0.033 0.000 1.568 273 H HN 1.183 nan 8.280 nan 0.000 0.343 274 G N 2.262 111.087 108.800 0.042 0.000 2.380 274 G HA2 -0.333 3.628 3.960 0.002 0.000 0.298 274 G HA3 -0.333 3.628 3.960 0.002 0.000 0.298 274 G C 0.349 175.304 174.900 0.092 0.000 0.989 274 G CA 1.283 46.448 45.100 0.108 0.000 0.836 274 G HN 0.795 nan 8.290 nan 0.000 0.511 275 Q N -2.211 117.606 119.800 0.028 0.000 2.991 275 Q HA 0.658 4.999 4.340 0.002 0.000 0.322 275 Q C -0.400 175.585 176.000 -0.025 0.000 0.978 275 Q CA -0.601 55.199 55.803 -0.004 0.000 0.787 275 Q CB 2.290 31.042 28.738 0.023 0.000 1.492 275 Q HN 0.644 nan 8.270 nan 0.000 0.498 276 V N -1.084 118.815 119.914 -0.025 0.000 2.326 276 V HA 0.388 4.509 4.120 0.002 0.000 0.281 276 V C -1.011 175.077 176.094 -0.009 0.000 1.015 276 V CA -0.708 61.578 62.300 -0.023 0.000 0.823 276 V CB 1.101 32.908 31.823 -0.027 0.000 1.009 276 V HN 0.662 nan 8.190 nan 0.000 0.436 277 D N 4.748 125.144 120.400 -0.006 0.000 2.402 277 D HA 0.302 4.944 4.640 0.002 0.000 0.235 277 D C 0.626 176.926 176.300 -0.001 0.000 1.226 277 D CA -0.033 53.966 54.000 -0.001 0.000 0.918 277 D CB 0.693 41.494 40.800 0.002 0.000 1.043 277 D HN 0.674 nan 8.370 nan 0.000 0.506 278 L N 2.987 124.212 121.223 0.003 0.000 2.728 278 L HA 0.070 4.411 4.340 0.002 0.000 0.235 278 L C 2.095 178.968 176.870 0.005 0.000 1.197 278 L CA -0.133 54.710 54.840 0.006 0.000 0.992 278 L CB -0.338 41.728 42.059 0.012 0.000 1.263 278 L HN 0.403 nan 8.230 nan 0.000 0.484 279 S N 0.079 115.780 115.700 0.002 0.000 2.423 279 S HA -0.284 4.187 4.470 0.002 0.000 0.238 279 S C 1.701 176.301 174.600 0.001 0.000 1.028 279 S CA 1.599 59.800 58.200 0.001 0.000 1.000 279 S CB -0.329 62.870 63.200 -0.001 0.000 0.797 279 S HN 0.748 nan 8.310 nan 0.000 0.487 280 E N 1.420 121.620 120.200 0.001 0.000 2.187 280 E HA -0.209 4.142 4.350 0.002 0.000 0.199 280 E C 2.013 178.614 176.600 0.001 0.000 1.004 280 E CA 1.500 57.900 56.400 -0.000 0.000 0.813 280 E CB -0.722 28.977 29.700 -0.001 0.000 0.736 280 E HN 0.587 nan 8.360 nan 0.000 0.468 281 L N 0.606 121.831 121.223 0.004 0.000 2.291 281 L HA 0.033 4.374 4.340 0.002 0.000 0.214 281 L C 1.311 178.184 176.870 0.005 0.000 1.120 281 L CA 0.821 55.665 54.840 0.006 0.000 0.799 281 L CB -0.745 41.320 42.059 0.010 0.000 0.925 281 L HN 0.510 nan 8.230 nan 0.000 0.446 282 G N -0.969 107.833 108.800 0.003 0.000 2.631 282 G HA2 -0.192 3.769 3.960 0.002 0.000 0.504 282 G HA3 -0.192 3.769 3.960 0.002 0.000 0.504 282 G C -2.264 172.638 174.900 0.003 0.000 1.306 282 G CA -0.372 44.729 45.100 0.002 0.000 0.897 282 G HN -0.030 nan 8.290 nan 0.000 0.520 283 P HA -0.031 nan 4.420 nan 0.000 0.212 283 P C 1.528 178.830 177.300 0.005 0.000 1.180 283 P CA 1.527 64.629 63.100 0.003 0.000 0.906 283 P CB -0.144 31.557 31.700 0.002 0.000 0.782 284 N N 0.019 118.722 118.700 0.005 0.000 2.659 284 N HA -0.096 4.645 4.740 0.002 0.000 0.194 284 N C 1.279 176.794 175.510 0.008 0.000 1.140 284 N CA 0.830 53.884 53.050 0.007 0.000 0.936 284 N CB -0.472 38.020 38.487 0.007 0.000 0.970 284 N HN 0.168 nan 8.380 nan 0.000 0.449 285 A N 2.609 125.434 122.820 0.008 0.000 2.728 285 A HA -0.189 4.132 4.320 0.002 0.000 0.179 285 A C 1.650 179.240 177.584 0.011 0.000 1.066 285 A CA 1.685 53.728 52.037 0.010 0.000 0.950 285 A CB -1.026 17.980 19.000 0.010 0.000 0.840 285 A HN 0.151 nan 8.150 nan 0.000 0.565 286 D N -0.652 119.755 120.400 0.011 0.000 2.244 286 D HA -0.222 4.419 4.640 0.002 0.000 0.197 286 D C 1.725 178.031 176.300 0.010 0.000 1.006 286 D CA 1.604 55.610 54.000 0.011 0.000 0.888 286 D CB -0.286 40.520 40.800 0.010 0.000 0.912 286 D HN 0.689 nan 8.370 nan 0.000 0.452 287 E N -0.296 119.909 120.200 0.009 0.000 2.068 287 E HA -0.261 4.090 4.350 0.002 0.000 0.207 287 E C 1.694 178.299 176.600 0.008 0.000 1.032 287 E CA 1.281 57.685 56.400 0.008 0.000 0.839 287 E CB -0.050 29.654 29.700 0.007 0.000 0.758 287 E HN 0.231 nan 8.360 nan 0.000 0.457 288 L N 0.186 121.415 121.223 0.010 0.000 2.168 288 L HA -0.036 4.305 4.340 0.002 0.000 0.203 288 L C 2.402 179.279 176.870 0.011 0.000 1.078 288 L CA 0.653 55.500 54.840 0.011 0.000 0.780 288 L CB -0.423 41.645 42.059 0.015 0.000 0.939 288 L HN 0.175 nan 8.230 nan 0.000 0.451 289 L N -0.573 120.658 121.223 0.013 0.000 2.263 289 L HA -0.261 4.080 4.340 0.002 0.000 0.216 289 L C 2.449 179.324 176.870 0.008 0.000 1.111 289 L CA 1.010 55.857 54.840 0.012 0.000 0.773 289 L CB -0.483 41.586 42.059 0.017 0.000 0.906 289 L HN 0.322 nan 8.230 nan 0.000 0.439 290 S N -0.523 115.182 115.700 0.009 0.000 2.383 290 S HA -0.127 4.344 4.470 0.002 0.000 0.227 290 S C 1.612 176.214 174.600 0.005 0.000 1.026 290 S CA 0.930 59.135 58.200 0.008 0.000 0.981 290 S CB -0.099 63.105 63.200 0.008 0.000 0.818 290 S HN 0.410 nan 8.310 nan 0.000 0.472 291 K N 1.734 122.137 120.400 0.005 0.000 2.589 291 K HA 0.090 4.411 4.320 0.002 0.000 0.192 291 K C -0.391 176.210 176.600 0.001 0.000 1.029 291 K CA 0.103 56.392 56.287 0.003 0.000 1.031 291 K CB -0.206 32.296 32.500 0.003 0.000 0.821 291 K HN 0.186 nan 8.250 nan 0.000 0.502 292 V N 2.740 122.653 119.914 -0.002 0.000 2.390 292 V HA -0.013 4.108 4.120 0.002 0.000 0.260 292 V C 1.171 177.259 176.094 -0.011 0.000 1.043 292 V CA 0.446 62.741 62.300 -0.008 0.000 1.047 292 V CB 0.285 32.092 31.823 -0.027 0.000 1.066 292 V HN 0.273 nan 8.190 nan 0.000 0.481 293 E N 2.300 122.504 120.200 0.006 0.000 2.190 293 E HA 0.038 4.389 4.350 0.002 0.000 0.191 293 E C 0.592 177.215 176.600 0.037 0.000 0.978 293 E CA 0.398 56.808 56.400 0.016 0.000 0.839 293 E CB 0.481 30.194 29.700 0.021 0.000 0.787 293 E HN 0.765 nan 8.360 nan 0.000 0.473 294 H N -0.131 118.899 119.070 -0.066 0.000 2.768 294 H HA 0.426 4.983 4.556 0.002 0.000 0.371 294 H C -1.379 173.897 175.328 -0.087 0.000 1.151 294 H CA -0.612 55.394 56.048 -0.070 0.000 1.165 294 H CB 1.346 31.071 29.762 -0.062 0.000 1.722 294 H HN -0.095 nan 8.280 nan 0.000 0.543 295 I N 3.979 124.172 120.570 -0.627 0.000 2.410 295 I HA 0.049 4.220 4.170 0.002 0.000 0.286 295 I C -0.605 175.323 176.117 -0.316 0.000 1.009 295 I CA -0.688 60.386 61.300 -0.376 0.000 1.111 295 I CB 1.755 39.403 38.000 -0.587 0.000 1.262 295 I HN 0.394 nan 8.210 nan 0.000 0.443 296 Q N 7.662 127.565 119.800 0.171 0.000 2.314 296 Q HA 0.517 4.858 4.340 0.002 0.000 0.259 296 Q C -1.164 174.860 176.000 0.040 0.000 0.951 296 Q CA -0.212 55.744 55.803 0.255 0.000 0.909 296 Q CB 1.148 30.201 28.738 0.525 0.000 1.236 296 Q HN 0.512 nan 8.270 nan 0.000 0.444 297 I N 5.579 126.152 120.570 0.005 0.000 2.336 297 I HA 0.380 4.551 4.170 0.002 0.000 0.292 297 I C -0.480 175.590 176.117 -0.079 0.000 0.991 297 I CA -0.817 60.468 61.300 -0.025 0.000 1.227 297 I CB 0.932 38.949 38.000 0.028 0.000 1.366 297 I HN 0.463 nan 8.210 nan 0.000 0.466 298 L N 6.153 127.288 121.223 -0.147 0.000 2.362 298 L HA 0.906 5.247 4.340 0.002 0.000 0.275 298 L C -0.173 176.653 176.870 -0.072 0.000 0.998 298 L CA -0.366 54.354 54.840 -0.199 0.000 0.820 298 L CB 1.873 43.676 42.059 -0.427 0.000 1.270 298 L HN 0.815 nan 8.230 nan 0.000 0.415 299 A N 1.912 124.734 122.820 0.003 0.000 2.511 299 A HA 0.850 5.171 4.320 0.002 0.000 0.293 299 A C -1.502 176.108 177.584 0.044 0.000 1.098 299 A CA -0.522 51.542 52.037 0.045 0.000 0.643 299 A CB 1.335 20.399 19.000 0.107 0.000 1.302 299 A HN 0.678 nan 8.150 nan 0.000 0.446 300 C N -0.971 118.356 119.300 0.045 0.000 3.044 300 C HA 0.910 5.371 4.460 0.002 0.000 0.315 300 C C 1.593 176.611 174.990 0.045 0.000 1.320 300 C CA 0.061 59.081 59.018 0.004 0.000 1.582 300 C CB 0.740 28.471 27.740 -0.014 0.000 2.039 300 C HN 2.562 nan 8.230 nan 0.000 0.466 301 G N 1.490 110.292 108.800 0.003 0.000 2.648 301 G HA2 -0.361 3.600 3.960 0.002 0.000 0.357 301 G HA3 -0.361 3.600 3.960 0.002 0.000 0.357 301 G C 1.085 175.999 174.900 0.024 0.000 1.342 301 G CA 1.499 46.600 45.100 0.002 0.000 0.978 301 G HN 0.926 nan 8.290 nan 0.000 0.532 302 T N 0.136 114.646 114.554 -0.072 0.000 2.624 302 T HA -0.171 4.180 4.350 0.002 0.000 0.268 302 T C 2.753 177.434 174.700 -0.031 0.000 1.041 302 T CA 2.498 64.491 62.100 -0.179 0.000 1.159 302 T CB -0.583 68.150 68.868 -0.225 0.000 0.863 302 T HN 0.519 nan 8.240 nan 0.000 0.434 303 S N -0.370 115.358 115.700 0.047 0.000 2.440 303 S HA -0.131 4.340 4.470 0.002 0.000 0.240 303 S C 1.464 176.137 174.600 0.122 0.000 1.014 303 S CA 1.196 59.452 58.200 0.093 0.000 0.980 303 S CB -0.389 62.854 63.200 0.071 0.000 0.775 303 S HN 0.620 nan 8.310 nan 0.000 0.499 304 Y N 2.970 123.254 120.300 -0.027 0.000 2.117 304 Y HA -0.123 4.428 4.550 0.002 0.000 0.277 304 Y C 1.903 177.792 175.900 -0.017 0.000 1.104 304 Y CA 1.840 59.924 58.100 -0.027 0.000 1.089 304 Y CB -1.150 37.285 38.460 -0.043 0.000 0.999 304 Y HN 0.142 nan 8.280 nan 0.000 0.480 305 N N 0.608 119.219 118.700 -0.149 0.000 2.161 305 N HA -0.359 4.382 4.740 0.002 0.000 0.199 305 N C 2.145 177.640 175.510 -0.025 0.000 0.990 305 N CA 2.219 55.129 53.050 -0.234 0.000 0.902 305 N CB -1.306 37.017 38.487 -0.273 0.000 1.074 305 N HN 0.573 nan 8.380 nan 0.000 0.556 306 S N -0.209 115.625 115.700 0.222 0.000 2.434 306 S HA -0.233 4.238 4.470 0.002 0.000 0.240 306 S C 2.220 176.784 174.600 -0.060 0.000 1.052 306 S CA 2.422 60.780 58.200 0.263 0.000 1.198 306 S CB -1.357 61.971 63.200 0.214 0.000 1.124 306 S HN 0.493 nan 8.310 nan 0.000 0.426 307 G N 2.236 110.994 108.800 -0.070 0.000 2.596 307 G HA2 -0.297 3.665 3.960 0.002 0.000 0.223 307 G HA3 -0.297 3.665 3.960 0.002 0.000 0.223 307 G C 1.573 176.367 174.900 -0.178 0.000 1.120 307 G CA 1.616 46.654 45.100 -0.104 0.000 0.752 307 G HN 0.514 nan 8.290 nan 0.000 0.596 308 M N 0.115 119.558 119.600 -0.262 0.000 2.163 308 M HA -0.142 4.339 4.480 0.002 0.000 0.258 308 M C 2.835 179.045 176.300 -0.150 0.000 1.071 308 M CA 1.315 56.479 55.300 -0.226 0.000 1.093 308 M CB -1.463 30.943 32.600 -0.323 0.000 1.285 308 M HN 0.161 nan 8.290 nan 0.000 0.420 309 V N -0.126 119.612 119.914 -0.294 0.000 2.231 309 V HA -0.331 3.790 4.120 0.002 0.000 0.250 309 V C 2.529 178.107 176.094 -0.860 0.000 1.058 309 V CA 2.423 64.394 62.300 -0.548 0.000 1.022 309 V CB -1.331 30.102 31.823 -0.650 0.000 0.640 309 V HN 0.560 nan 8.190 nan 0.000 0.445 310 S N -1.245 113.943 115.700 -0.852 0.000 2.434 310 S HA -0.338 4.133 4.470 0.002 0.000 0.243 310 S C 2.108 176.483 174.600 -0.375 0.000 1.045 310 S CA 2.255 59.997 58.200 -0.763 0.000 1.019 310 S CB -0.399 62.591 63.200 -0.349 0.000 0.811 310 S HN 0.555 nan 8.310 nan 0.000 0.485 311 R N -0.805 119.620 120.500 -0.125 0.000 2.070 311 R HA -0.068 4.273 4.340 0.002 0.000 0.227 311 R C 1.714 178.043 176.300 0.049 0.000 1.147 311 R CA 1.836 57.970 56.100 0.056 0.000 0.924 311 R CB -0.701 29.613 30.300 0.024 0.000 0.827 311 R HN 0.480 nan 8.270 nan 0.000 0.431 312 Y N -0.572 119.680 120.300 -0.080 0.000 2.554 312 Y HA -0.297 4.254 4.550 0.002 0.000 0.273 312 Y C 1.575 177.616 175.900 0.236 0.000 1.184 312 Y CA 0.951 59.076 58.100 0.042 0.000 1.457 312 Y CB -0.249 38.227 38.460 0.026 0.000 0.961 312 Y HN 0.348 nan 8.280 nan 0.000 0.596 313 W N -2.973 118.368 121.300 0.068 0.000 2.924 313 W HA 0.126 4.787 4.660 0.002 0.000 0.273 313 W C 1.869 178.397 176.519 0.016 0.000 1.046 313 W CA -0.504 56.819 57.345 -0.036 0.000 1.788 313 W CB -1.719 27.621 29.460 -0.200 0.000 1.127 313 W HN -0.129 nan 8.180 nan 0.000 0.571 314 F N 1.713 121.798 119.950 0.224 0.000 2.323 314 F HA -0.211 4.317 4.527 0.002 0.000 0.301 314 F C 1.956 177.785 175.800 0.047 0.000 1.060 314 F CA 1.425 59.484 58.000 0.098 0.000 1.398 314 F CB -0.639 38.378 39.000 0.028 0.000 1.075 314 F HN 0.089 nan 8.300 nan 0.000 0.540 315 E N -1.408 118.924 120.200 0.219 0.000 2.182 315 E HA -0.056 4.295 4.350 0.002 0.000 0.195 315 E C 2.304 178.964 176.600 0.101 0.000 0.933 315 E CA 0.828 57.292 56.400 0.106 0.000 0.940 315 E CB -0.338 29.376 29.700 0.023 0.000 0.945 315 E HN 0.251 nan 8.360 nan 0.000 0.477 316 S N 1.411 117.181 115.700 0.117 0.000 2.353 316 S HA -0.124 4.347 4.470 0.002 0.000 0.222 316 S C 1.621 176.281 174.600 0.100 0.000 1.035 316 S CA 1.065 59.333 58.200 0.112 0.000 1.025 316 S CB -0.312 62.987 63.200 0.165 0.000 0.902 316 S HN 0.167 nan 8.310 nan 0.000 0.440 317 L N 0.538 121.833 121.223 0.119 0.000 3.062 317 L HA 0.619 4.960 4.340 0.002 0.000 0.255 317 L C 1.108 178.023 176.870 0.076 0.000 1.274 317 L CA 0.253 55.134 54.840 0.068 0.000 1.047 317 L CB 0.307 42.374 42.059 0.014 0.000 1.402 317 L HN 0.549 nan 8.230 nan 0.000 0.550 318 A N -1.073 121.809 122.820 0.103 0.000 2.011 318 A HA 0.453 4.774 4.320 0.002 0.000 0.170 318 A C 1.275 178.915 177.584 0.093 0.000 1.938 318 A CA 0.536 52.642 52.037 0.116 0.000 1.498 318 A CB 0.157 19.282 19.000 0.209 0.000 1.619 318 A HN 0.343 nan 8.150 nan 0.000 0.343 319 G N 0.310 109.163 108.800 0.088 0.000 2.289 319 G HA2 -0.144 3.817 3.960 0.002 0.000 0.280 319 G HA3 -0.144 3.817 3.960 0.002 0.000 0.280 319 G C -0.247 174.679 174.900 0.043 0.000 1.089 319 G CA 0.486 45.619 45.100 0.056 0.000 0.939 319 G HN 1.015 nan 8.290 nan 0.000 0.499 320 I N 0.122 120.722 120.570 0.051 0.000 2.478 320 I HA 0.373 4.544 4.170 0.002 0.000 0.287 320 I C -2.184 173.900 176.117 -0.056 0.000 1.042 320 I CA -2.830 58.464 61.300 -0.011 0.000 1.067 320 I CB 2.580 40.556 38.000 -0.040 0.000 1.233 320 I HN -0.128 nan 8.210 nan 0.000 0.431 321 P HA -0.031 nan 4.420 nan 0.000 0.261 321 P C -0.623 176.489 177.300 -0.314 0.000 1.203 321 P CA 0.090 63.111 63.100 -0.131 0.000 0.767 321 P CB 0.636 32.296 31.700 -0.067 0.000 0.785 322 C N 4.489 123.658 119.300 -0.220 0.000 2.493 322 C HA 0.525 4.986 4.460 0.002 0.000 0.326 322 C C -0.996 173.909 174.990 -0.142 0.000 1.200 322 C CA -0.235 58.642 59.018 -0.234 0.000 1.739 322 C CB 0.983 28.709 27.740 -0.024 0.000 2.300 322 C HN 0.522 nan 8.230 nan 0.000 0.500 323 D N 4.057 124.393 120.400 -0.107 0.000 2.479 323 D HA 0.258 4.899 4.640 0.002 0.000 0.246 323 D C -0.909 175.434 176.300 0.071 0.000 1.336 323 D CA -0.044 53.980 54.000 0.039 0.000 0.967 323 D CB 2.040 42.935 40.800 0.157 0.000 1.275 323 D HN 0.328 nan 8.370 nan 0.000 0.577 324 V N 2.481 122.440 119.914 0.075 0.000 2.385 324 V HA 0.256 4.377 4.120 0.002 0.000 0.269 324 V C 0.363 176.586 176.094 0.215 0.000 1.043 324 V CA -0.065 62.288 62.300 0.089 0.000 0.906 324 V CB 1.392 33.209 31.823 -0.011 0.000 0.995 324 V HN 0.416 nan 8.190 nan 0.000 0.467 325 E N 4.696 125.026 120.200 0.216 0.000 2.317 325 E HA 0.455 4.806 4.350 0.002 0.000 0.270 325 E C -0.800 175.885 176.600 0.143 0.000 0.885 325 E CA -0.930 55.609 56.400 0.233 0.000 0.760 325 E CB 1.735 31.540 29.700 0.174 0.000 1.227 325 E HN 0.500 nan 8.360 nan 0.000 0.434 326 I N 3.480 124.035 120.570 -0.026 0.000 2.683 326 I HA -0.059 4.113 4.170 0.002 0.000 0.286 326 I C 1.276 177.370 176.117 -0.038 0.000 1.175 326 I CA 0.525 61.706 61.300 -0.198 0.000 1.429 326 I CB 0.855 38.683 38.000 -0.286 0.000 1.371 326 I HN 0.781 nan 8.210 nan 0.000 0.569 327 A N 5.113 127.904 122.820 -0.049 0.000 1.929 327 A HA -0.107 4.214 4.320 0.002 0.000 0.216 327 A C 2.293 179.901 177.584 0.040 0.000 1.176 327 A CA 1.436 53.470 52.037 -0.005 0.000 0.628 327 A CB -0.360 18.614 19.000 -0.043 0.000 0.816 327 A HN 0.785 nan 8.150 nan 0.000 0.444 328 S N 0.234 115.946 115.700 0.020 0.000 2.368 328 S HA -0.219 4.252 4.470 0.002 0.000 0.226 328 S C 1.886 176.572 174.600 0.142 0.000 1.044 328 S CA 1.725 59.972 58.200 0.078 0.000 1.062 328 S CB -0.310 62.912 63.200 0.037 0.000 0.931 328 S HN 0.650 nan 8.310 nan 0.000 0.440 329 E N 0.356 120.620 120.200 0.107 0.000 2.021 329 E HA 0.034 4.385 4.350 0.002 0.000 0.189 329 E C 1.678 178.372 176.600 0.157 0.000 0.980 329 E CA 0.260 56.740 56.400 0.134 0.000 0.803 329 E CB -0.715 29.042 29.700 0.095 0.000 0.766 329 E HN 0.442 nan 8.360 nan 0.000 0.449 330 F N 3.192 123.140 119.950 -0.004 0.000 2.224 330 F HA -0.438 4.090 4.527 0.002 0.000 0.299 330 F C 2.675 178.447 175.800 -0.047 0.000 1.212 330 F CA 3.218 61.209 58.000 -0.014 0.000 1.271 330 F CB -0.653 38.327 39.000 -0.034 0.000 0.912 330 F HN 0.011 nan 8.300 nan 0.000 0.562 331 R N -0.629 119.935 120.500 0.107 0.000 2.265 331 R HA -0.330 4.011 4.340 0.002 0.000 0.256 331 R C 1.774 177.905 176.300 -0.282 0.000 1.120 331 R CA 2.703 58.694 56.100 -0.181 0.000 0.956 331 R CB -2.049 28.057 30.300 -0.322 0.000 0.925 331 R HN 0.542 nan 8.270 nan 0.000 0.448 332 Y N 1.559 121.840 120.300 -0.031 0.000 2.465 332 Y HA 0.183 4.734 4.550 0.002 0.000 0.311 332 Y C 0.208 176.071 175.900 -0.063 0.000 1.204 332 Y CA 0.018 58.094 58.100 -0.040 0.000 1.272 332 Y CB -0.033 38.416 38.460 -0.018 0.000 1.083 332 Y HN 0.302 nan 8.280 nan 0.000 0.508 333 R N -1.455 119.036 120.500 -0.016 0.000 2.584 333 R HA 0.405 4.746 4.340 0.002 0.000 0.276 333 R C -1.193 175.027 176.300 -0.134 0.000 1.046 333 R CA -1.072 55.001 56.100 -0.045 0.000 0.906 333 R CB 0.917 31.207 30.300 -0.017 0.000 1.215 333 R HN -0.342 nan 8.270 nan 0.000 0.449 334 K N 2.276 122.622 120.400 -0.090 0.000 2.412 334 K HA 0.128 4.449 4.320 0.002 0.000 0.284 334 K C -0.935 175.599 176.600 -0.110 0.000 1.046 334 K CA 0.253 56.478 56.287 -0.104 0.000 0.999 334 K CB 0.426 32.892 32.500 -0.058 0.000 0.941 334 K HN 0.834 nan 8.250 nan 0.000 0.474 335 S N 2.539 118.148 115.700 -0.152 0.000 2.456 335 S HA 0.518 4.989 4.470 0.002 0.000 0.316 335 S C -0.130 174.443 174.600 -0.046 0.000 1.089 335 S CA -0.901 57.237 58.200 -0.103 0.000 1.101 335 S CB 1.475 64.572 63.200 -0.172 0.000 0.995 335 S HN 0.571 nan 8.310 nan 0.000 0.468 336 A N 3.560 126.364 122.820 -0.027 0.000 2.504 336 A HA 0.288 4.609 4.320 0.002 0.000 0.280 336 A C 0.786 178.341 177.584 -0.048 0.000 1.125 336 A CA -0.140 51.878 52.037 -0.031 0.000 0.873 336 A CB -1.456 17.531 19.000 -0.021 0.000 0.997 336 A HN 1.802 nan 8.150 nan 0.000 0.542 337 V N 2.555 122.431 119.914 -0.063 0.000 2.434 337 V HA 0.214 4.335 4.120 0.002 0.000 0.281 337 V C 1.011 176.981 176.094 -0.207 0.000 1.005 337 V CA -0.667 61.556 62.300 -0.128 0.000 1.089 337 V CB -0.575 31.182 31.823 -0.110 0.000 0.978 337 V HN 0.845 nan 8.190 nan 0.000 0.474 338 R N 3.528 123.837 120.500 -0.319 0.000 2.964 338 R HA 0.367 4.708 4.340 0.002 0.000 0.135 338 R C 0.680 176.807 176.300 -0.288 0.000 0.647 338 R CA 0.325 56.222 56.100 -0.337 0.000 1.585 338 R CB -0.031 29.903 30.300 -0.611 0.000 0.525 338 R HN 0.908 nan 8.270 nan 0.000 0.579 339 R N 0.604 120.954 120.500 -0.250 0.000 2.604 339 R HA 0.175 4.516 4.340 0.002 0.000 0.281 339 R C -1.132 175.091 176.300 -0.129 0.000 1.020 339 R CA -0.496 55.501 56.100 -0.171 0.000 0.899 339 R CB 1.072 31.311 30.300 -0.101 0.000 1.205 339 R HN 0.691 nan 8.270 nan 0.000 0.450 340 N N 1.507 120.140 118.700 -0.112 0.000 2.686 340 N HA -0.164 4.577 4.740 0.002 0.000 0.261 340 N C -1.265 174.230 175.510 -0.025 0.000 1.001 340 N CA 1.178 54.194 53.050 -0.058 0.000 0.764 340 N CB -0.631 37.840 38.487 -0.026 0.000 0.898 340 N HN 0.433 nan 8.380 nan 0.000 0.544 341 S N 0.240 115.899 115.700 -0.068 0.000 2.651 341 S HA 0.621 5.092 4.470 0.002 0.000 0.291 341 S C 0.217 174.910 174.600 0.156 0.000 1.141 341 S CA -0.742 57.507 58.200 0.081 0.000 1.027 341 S CB 2.242 65.424 63.200 -0.031 0.000 1.043 341 S HN 0.330 nan 8.310 nan 0.000 0.530 342 L N 2.751 124.079 121.223 0.175 0.000 2.295 342 L HA 0.621 4.962 4.340 0.002 0.000 0.285 342 L C -0.591 176.375 176.870 0.159 0.000 1.035 342 L CA -0.465 54.449 54.840 0.123 0.000 0.806 342 L CB 1.324 43.383 42.059 -0.001 0.000 1.214 342 L HN 0.651 nan 8.230 nan 0.000 0.426 343 M N 6.835 126.508 119.600 0.121 0.000 2.111 343 M HA 0.446 4.927 4.480 0.002 0.000 0.351 343 M C -1.371 174.913 176.300 -0.026 0.000 1.214 343 M CA -0.056 55.248 55.300 0.006 0.000 1.120 343 M CB -0.192 32.355 32.600 -0.088 0.000 1.443 343 M HN 0.348 nan 8.290 nan 0.000 0.429 344 I N 5.165 125.716 120.570 -0.031 0.000 2.330 344 I HA 0.327 4.498 4.170 0.002 0.000 0.289 344 I C -0.200 175.897 176.117 -0.033 0.000 1.001 344 I CA -0.582 60.711 61.300 -0.012 0.000 1.193 344 I CB 1.433 39.449 38.000 0.027 0.000 1.345 344 I HN 0.636 nan 8.210 nan 0.000 0.461 345 T N 4.899 119.434 114.554 -0.031 0.000 2.788 345 T HA 0.534 4.885 4.350 0.002 0.000 0.296 345 T C -0.350 174.345 174.700 -0.008 0.000 1.009 345 T CA -0.642 61.434 62.100 -0.041 0.000 0.949 345 T CB 1.010 69.845 68.868 -0.055 0.000 0.946 345 T HN 0.326 nan 8.240 nan 0.000 0.453 346 L N 3.300 124.526 121.223 0.005 0.000 2.302 346 L HA 0.494 4.835 4.340 0.002 0.000 0.285 346 L C 0.447 177.333 176.870 0.027 0.000 1.090 346 L CA -0.307 54.548 54.840 0.025 0.000 0.866 346 L CB 0.737 42.820 42.059 0.040 0.000 1.244 346 L HN 0.724 nan 8.230 nan 0.000 0.435 347 S N 1.479 117.192 115.700 0.023 0.000 2.672 347 S HA 0.174 4.645 4.470 0.002 0.000 0.291 347 S C 0.459 175.078 174.600 0.033 0.000 1.145 347 S CA -0.552 57.664 58.200 0.028 0.000 1.013 347 S CB 1.703 64.915 63.200 0.019 0.000 1.017 347 S HN 0.637 nan 8.310 nan 0.000 0.487 348 Q N 3.265 123.090 119.800 0.041 0.000 1.942 348 Q HA -0.112 4.229 4.340 0.002 0.000 0.203 348 Q C 2.114 178.139 176.000 0.042 0.000 0.987 348 Q CA 2.854 58.682 55.803 0.041 0.000 0.844 348 Q CB -1.063 27.702 28.738 0.045 0.000 0.911 348 Q HN 0.884 nan 8.270 nan 0.000 0.423 349 S N -0.605 115.126 115.700 0.051 0.000 2.400 349 S HA -0.182 4.289 4.470 0.002 0.000 0.234 349 S C 1.590 176.216 174.600 0.042 0.000 1.049 349 S CA 2.511 60.745 58.200 0.057 0.000 1.039 349 S CB -1.024 62.215 63.200 0.064 0.000 0.856 349 S HN 0.911 nan 8.310 nan 0.000 0.465 350 G N 0.377 109.196 108.800 0.031 0.000 2.168 350 G HA2 -0.244 3.717 3.960 0.002 0.000 0.263 350 G HA3 -0.244 3.717 3.960 0.002 0.000 0.263 350 G C 0.516 175.426 174.900 0.016 0.000 0.977 350 G CA 0.626 45.738 45.100 0.020 0.000 0.659 350 G HN 0.612 nan 8.290 nan 0.000 0.533 351 E N -0.456 119.757 120.200 0.021 0.000 2.641 351 E HA 0.076 4.427 4.350 0.002 0.000 0.224 351 E C 0.518 177.126 176.600 0.012 0.000 0.951 351 E CA 0.114 56.523 56.400 0.016 0.000 1.102 351 E CB 0.527 30.240 29.700 0.022 0.000 1.091 351 E HN 0.342 nan 8.360 nan 0.000 0.507 352 T N 2.150 116.713 114.554 0.016 0.000 2.822 352 T HA 0.062 4.413 4.350 0.002 0.000 0.288 352 T C 1.377 176.076 174.700 -0.002 0.000 0.991 352 T CA 0.532 62.640 62.100 0.014 0.000 1.176 352 T CB 1.009 69.887 68.868 0.016 0.000 0.951 352 T HN 0.185 nan 8.240 nan 0.000 0.526 353 A N 5.016 127.834 122.820 -0.004 0.000 1.885 353 A HA -0.229 4.092 4.320 0.002 0.000 0.215 353 A C 2.154 179.724 177.584 -0.022 0.000 1.255 353 A CA 2.097 54.127 52.037 -0.011 0.000 0.692 353 A CB -0.884 18.110 19.000 -0.010 0.000 0.842 353 A HN 0.922 nan 8.150 nan 0.000 0.465 354 D N -1.185 119.203 120.400 -0.020 0.000 2.160 354 D HA -0.189 4.452 4.640 0.002 0.000 0.189 354 D C 2.023 178.294 176.300 -0.049 0.000 1.003 354 D CA 2.242 56.218 54.000 -0.040 0.000 0.846 354 D CB -0.819 39.974 40.800 -0.012 0.000 0.949 354 D HN 0.491 nan 8.370 nan 0.000 0.446 355 T N 1.873 116.403 114.554 -0.040 0.000 2.516 355 T HA -0.231 4.120 4.350 0.002 0.000 0.261 355 T C 2.017 176.682 174.700 -0.059 0.000 1.130 355 T CA 1.650 63.716 62.100 -0.057 0.000 1.193 355 T CB -0.778 68.066 68.868 -0.040 0.000 0.864 355 T HN 0.124 nan 8.240 nan 0.000 0.410 356 L N 1.663 122.861 121.223 -0.041 0.000 2.151 356 L HA -0.249 4.092 4.340 0.002 0.000 0.219 356 L C 2.361 179.206 176.870 -0.041 0.000 1.083 356 L CA 2.426 57.244 54.840 -0.036 0.000 0.782 356 L CB -1.032 41.013 42.059 -0.022 0.000 0.891 356 L HN 0.291 nan 8.230 nan 0.000 0.439 357 A N -0.676 122.114 122.820 -0.049 0.000 2.067 357 A HA 0.051 4.372 4.320 0.002 0.000 0.219 357 A C 2.322 179.889 177.584 -0.029 0.000 1.158 357 A CA 1.267 53.268 52.037 -0.060 0.000 0.661 357 A CB -1.442 17.486 19.000 -0.121 0.000 0.801 357 A HN 0.608 nan 8.150 nan 0.000 0.452 358 G N 0.329 109.114 108.800 -0.026 0.000 2.453 358 G HA2 -0.189 3.773 3.960 0.002 0.000 0.215 358 G HA3 -0.189 3.773 3.960 0.002 0.000 0.215 358 G C 1.522 176.412 174.900 -0.017 0.000 1.201 358 G CA 1.132 46.233 45.100 0.001 0.000 0.784 358 G HN 0.444 nan 8.290 nan 0.000 0.545 359 L N -0.277 120.900 121.223 -0.077 0.000 2.017 359 L HA -0.027 4.314 4.340 0.002 0.000 0.208 359 L C 3.093 179.938 176.870 -0.042 0.000 1.073 359 L CA 1.213 56.003 54.840 -0.084 0.000 0.745 359 L CB -0.420 41.598 42.059 -0.067 0.000 0.894 359 L HN 0.079 nan 8.230 nan 0.000 0.432 360 R N -0.385 120.099 120.500 -0.027 0.000 2.127 360 R HA -0.187 4.154 4.340 0.002 0.000 0.238 360 R C 2.134 178.430 176.300 -0.007 0.000 1.134 360 R CA 1.197 57.288 56.100 -0.015 0.000 0.975 360 R CB -0.391 29.899 30.300 -0.016 0.000 0.865 360 R HN 0.181 nan 8.270 nan 0.000 0.447 361 L N -0.079 121.145 121.223 0.002 0.000 2.068 361 L HA -0.048 4.293 4.340 0.002 0.000 0.204 361 L C 2.194 179.079 176.870 0.025 0.000 1.076 361 L CA 1.745 56.591 54.840 0.011 0.000 0.753 361 L CB -0.564 41.507 42.059 0.020 0.000 0.910 361 L HN 0.116 nan 8.230 nan 0.000 0.439 362 S N -1.047 114.653 115.700 0.000 0.000 2.465 362 S HA -0.175 4.296 4.470 0.002 0.000 0.241 362 S C 1.951 176.555 174.600 0.006 0.000 1.000 362 S CA 1.002 59.131 58.200 -0.117 0.000 0.964 362 S CB -0.328 62.665 63.200 -0.346 0.000 0.763 362 S HN 0.362 nan 8.310 nan 0.000 0.512 363 K N 0.841 121.251 120.400 0.018 0.000 2.128 363 K HA 0.160 4.481 4.320 0.002 0.000 0.202 363 K C 1.614 178.247 176.600 0.056 0.000 1.050 363 K CA 0.710 57.021 56.287 0.040 0.000 0.966 363 K CB -0.453 32.058 32.500 0.018 0.000 0.759 363 K HN 0.391 nan 8.250 nan 0.000 0.454 364 E N 1.096 121.322 120.200 0.044 0.000 2.526 364 E HA 0.025 4.376 4.350 0.002 0.000 0.198 364 E C 1.565 178.200 176.600 0.058 0.000 1.091 364 E CA 0.257 56.680 56.400 0.038 0.000 0.880 364 E CB -0.095 29.616 29.700 0.019 0.000 0.873 364 E HN 0.258 nan 8.360 nan 0.000 0.527 365 L N -1.471 119.817 121.223 0.109 0.000 3.076 365 L HA 0.394 4.735 4.340 0.002 0.000 0.173 365 L C 1.078 178.024 176.870 0.125 0.000 1.343 365 L CA 0.504 55.431 54.840 0.146 0.000 0.894 365 L CB 0.340 42.576 42.059 0.295 0.000 1.372 365 L HN 0.153 nan 8.230 nan 0.000 0.565 366 G N -0.975 107.949 108.800 0.205 0.000 3.231 366 G HA2 0.038 3.999 3.960 0.002 0.000 0.232 366 G HA3 0.038 3.999 3.960 0.002 0.000 0.232 366 G C -1.327 173.615 174.900 0.070 0.000 2.928 366 G CA -0.748 44.412 45.100 0.100 0.000 0.879 366 G HN -0.065 nan 8.290 nan 0.000 0.424 367 Y N 0.781 121.090 120.300 0.014 0.000 2.304 367 Y HA 0.514 5.065 4.550 0.002 0.000 0.328 367 Y C 1.969 177.875 175.900 0.011 0.000 1.123 367 Y CA -0.666 57.443 58.100 0.015 0.000 1.218 367 Y CB 1.100 39.577 38.460 0.030 0.000 1.207 367 Y HN 0.198 nan 8.280 nan 0.000 0.495 368 L N 2.040 123.318 121.223 0.092 0.000 1.929 368 L HA -0.128 4.214 4.340 0.002 0.000 0.229 368 L C 1.250 178.165 176.870 0.076 0.000 1.086 368 L CA 1.754 56.630 54.840 0.061 0.000 0.798 368 L CB -0.647 41.433 42.059 0.034 0.000 0.898 368 L HN 0.788 nan 8.230 nan 0.000 0.436 369 G N -1.183 107.662 108.800 0.076 0.000 2.452 369 G HA2 0.480 4.441 3.960 0.002 0.000 0.324 369 G HA3 0.480 4.441 3.960 0.002 0.000 0.324 369 G C -1.074 173.867 174.900 0.069 0.000 1.214 369 G CA -0.183 44.953 45.100 0.060 0.000 0.947 369 G HN 0.268 nan 8.290 nan 0.000 0.478 370 S N 1.951 117.677 115.700 0.044 0.000 2.530 370 S HA 0.569 5.040 4.470 0.002 0.000 0.322 370 S C -0.175 174.430 174.600 0.010 0.000 1.085 370 S CA -0.717 57.495 58.200 0.020 0.000 1.096 370 S CB 1.534 64.730 63.200 -0.005 0.000 0.988 370 S HN 0.708 nan 8.310 nan 0.000 0.466 371 L N 2.952 124.181 121.223 0.009 0.000 2.540 371 L HA 0.811 5.152 4.340 0.002 0.000 0.215 371 L C 0.185 177.056 176.870 0.002 0.000 1.204 371 L CA 0.432 55.280 54.840 0.012 0.000 0.841 371 L CB 0.786 42.860 42.059 0.025 0.000 1.420 371 L HN 1.092 nan 8.230 nan 0.000 0.519 372 A N 2.039 124.864 122.820 0.009 0.000 2.642 372 A HA 0.328 4.649 4.320 0.002 0.000 0.261 372 A C -0.685 176.905 177.584 0.011 0.000 1.335 372 A CA -0.508 51.530 52.037 0.002 0.000 1.073 372 A CB -1.083 17.915 19.000 -0.005 0.000 1.369 372 A HN 0.502 nan 8.150 nan 0.000 0.706 373 I N 0.862 121.444 120.570 0.019 0.000 2.683 373 I HA 0.260 4.431 4.170 0.002 0.000 0.286 373 I C 0.689 176.816 176.117 0.018 0.000 1.175 373 I CA 0.619 61.933 61.300 0.023 0.000 1.429 373 I CB 0.680 38.700 38.000 0.033 0.000 1.371 373 I HN 0.651 nan 8.210 nan 0.000 0.569 374 C N 5.529 124.839 119.300 0.016 0.000 3.320 374 C HA 0.292 4.753 4.460 0.002 0.000 0.335 374 C C 0.490 175.489 174.990 0.015 0.000 1.430 374 C CA -0.614 58.413 59.018 0.016 0.000 1.271 374 C CB 1.713 29.460 27.740 0.012 0.000 1.609 374 C HN 0.972 nan 8.230 nan 0.000 0.457 375 N N -0.033 118.678 118.700 0.019 0.000 2.168 375 N HA 0.229 4.970 4.740 0.002 0.000 0.216 375 N C -0.956 174.566 175.510 0.020 0.000 1.259 375 N CA 0.326 53.386 53.050 0.017 0.000 0.902 375 N CB 0.822 39.321 38.487 0.020 0.000 1.079 375 N HN 0.466 nan 8.380 nan 0.000 0.507 376 V N 3.887 123.815 119.914 0.023 0.000 2.311 376 V HA 0.442 4.563 4.120 0.002 0.000 0.275 376 V C -2.235 173.868 176.094 0.015 0.000 1.022 376 V CA -1.649 60.667 62.300 0.027 0.000 0.830 376 V CB 1.036 32.882 31.823 0.039 0.000 1.012 376 V HN 0.087 nan 8.190 nan 0.000 0.452 377 P HA 0.118 nan 4.420 nan 0.000 0.268 377 P C 1.130 178.417 177.300 -0.022 0.000 1.208 377 P CA 0.995 64.087 63.100 -0.013 0.000 0.777 377 P CB 0.597 32.282 31.700 -0.025 0.000 0.875 378 G N 1.178 109.959 108.800 -0.031 0.000 2.200 378 G HA2 -0.273 3.688 3.960 0.002 0.000 0.267 378 G HA3 -0.273 3.688 3.960 0.002 0.000 0.267 378 G C 0.222 175.114 174.900 -0.014 0.000 0.993 378 G CA 0.588 45.666 45.100 -0.037 0.000 0.701 378 G HN 0.821 nan 8.290 nan 0.000 0.524 379 S N 0.139 115.837 115.700 -0.002 0.000 2.505 379 S HA 0.522 4.993 4.470 0.002 0.000 0.276 379 S C 1.713 176.315 174.600 0.003 0.000 1.274 379 S CA 0.681 58.886 58.200 0.008 0.000 1.053 379 S CB 1.665 64.875 63.200 0.015 0.000 0.919 379 S HN 1.640 nan 8.310 nan 0.000 0.490 380 S N 3.159 118.861 115.700 0.004 0.000 2.432 380 S HA -0.252 4.219 4.470 0.002 0.000 0.243 380 S C 1.490 176.087 174.600 -0.005 0.000 1.069 380 S CA 1.429 59.628 58.200 -0.001 0.000 1.047 380 S CB -0.780 62.419 63.200 -0.002 0.000 0.854 380 S HN 0.727 nan 8.310 nan 0.000 0.474 381 L N 0.797 122.017 121.223 -0.004 0.000 2.362 381 L HA 0.197 4.538 4.340 0.002 0.000 0.219 381 L C 2.140 179.005 176.870 -0.009 0.000 1.134 381 L CA 0.985 55.819 54.840 -0.009 0.000 0.807 381 L CB -0.310 41.745 42.059 -0.007 0.000 0.927 381 L HN 0.319 nan 8.230 nan 0.000 0.447 382 V N -1.114 118.797 119.914 -0.006 0.000 2.581 382 V HA -0.034 4.087 4.120 0.002 0.000 0.240 382 V C 2.436 178.525 176.094 -0.007 0.000 1.054 382 V CA 0.840 63.136 62.300 -0.006 0.000 1.076 382 V CB -0.345 31.475 31.823 -0.005 0.000 0.748 382 V HN 0.325 nan 8.190 nan 0.000 0.474 383 R N 0.965 121.461 120.500 -0.007 0.000 2.139 383 R HA -0.146 4.195 4.340 0.002 0.000 0.243 383 R C 0.640 176.936 176.300 -0.006 0.000 1.145 383 R CA 1.197 57.293 56.100 -0.007 0.000 0.976 383 R CB -0.200 30.096 30.300 -0.006 0.000 0.866 383 R HN 0.569 nan 8.270 nan 0.000 0.449 384 E N 0.824 121.019 120.200 -0.008 0.000 2.884 384 E HA 0.255 4.606 4.350 0.002 0.000 0.221 384 E C -1.047 175.546 176.600 -0.012 0.000 1.137 384 E CA -0.161 56.234 56.400 -0.009 0.000 1.160 384 E CB 1.134 30.827 29.700 -0.011 0.000 1.385 384 E HN -0.035 nan 8.360 nan 0.000 0.442 385 S N 0.230 115.925 115.700 -0.008 0.000 2.558 385 S HA 0.076 4.547 4.470 0.002 0.000 0.277 385 S C -0.237 174.363 174.600 -0.001 0.000 1.143 385 S CA -0.778 57.417 58.200 -0.009 0.000 0.865 385 S CB 1.525 64.719 63.200 -0.011 0.000 1.102 385 S HN 0.252 nan 8.310 nan 0.000 0.454 386 D N 1.266 121.668 120.400 0.004 0.000 2.074 386 D HA 0.110 4.751 4.640 0.002 0.000 0.221 386 D C 0.656 176.961 176.300 0.008 0.000 0.972 386 D CA 1.042 55.047 54.000 0.009 0.000 0.901 386 D CB -0.112 40.698 40.800 0.016 0.000 1.047 386 D HN 0.369 nan 8.370 nan 0.000 0.453 387 L N 0.132 121.362 121.223 0.011 0.000 2.421 387 L HA 0.537 4.878 4.340 0.002 0.000 0.263 387 L C -0.041 176.835 176.870 0.010 0.000 1.122 387 L CA -0.676 54.171 54.840 0.011 0.000 0.804 387 L CB 1.311 43.379 42.059 0.015 0.000 1.150 387 L HN 0.079 nan 8.230 nan 0.000 0.457 388 A N 3.046 125.872 122.820 0.010 0.000 2.437 388 A HA 0.639 4.960 4.320 0.002 0.000 0.293 388 A C -1.111 176.479 177.584 0.011 0.000 1.038 388 A CA -0.449 51.593 52.037 0.009 0.000 0.708 388 A CB 1.145 20.147 19.000 0.003 0.000 1.251 388 A HN 0.619 nan 8.150 nan 0.000 0.409 389 L N 4.446 125.678 121.223 0.016 0.000 2.272 389 L HA 0.320 4.661 4.340 0.002 0.000 0.284 389 L C 0.254 177.131 176.870 0.011 0.000 1.045 389 L CA -0.514 54.335 54.840 0.016 0.000 0.842 389 L CB 0.873 42.947 42.059 0.026 0.000 1.224 389 L HN 0.687 nan 8.230 nan 0.000 0.430 390 M N 1.313 120.916 119.600 0.005 0.000 2.131 390 M HA 0.118 4.599 4.480 0.002 0.000 0.283 390 M C 1.059 177.359 176.300 0.000 0.000 1.225 390 M CA 0.409 55.710 55.300 0.002 0.000 1.153 390 M CB 0.070 32.668 32.600 -0.003 0.000 1.380 390 M HN 0.605 nan 8.290 nan 0.000 0.458 391 T N -3.517 111.036 114.554 -0.002 0.000 3.192 391 T HA 0.137 4.488 4.350 0.002 0.000 0.295 391 T C 0.177 174.867 174.700 -0.016 0.000 0.947 391 T CA -0.521 61.575 62.100 -0.007 0.000 0.916 391 T CB -0.280 68.587 68.868 -0.002 0.000 1.169 391 T HN 0.610 nan 8.240 nan 0.000 0.540 392 N N 2.154 120.845 118.700 -0.015 0.000 2.745 392 N HA -0.189 4.552 4.740 0.002 0.000 0.271 392 N C 0.690 176.177 175.510 -0.039 0.000 0.960 392 N CA 0.799 53.834 53.050 -0.025 0.000 0.833 392 N CB -0.916 37.554 38.487 -0.029 0.000 0.919 392 N HN 0.794 nan 8.380 nan 0.000 0.566 393 A N -0.243 122.558 122.820 -0.031 0.000 2.460 393 A HA 0.535 4.856 4.320 0.002 0.000 0.258 393 A C 1.320 178.874 177.584 -0.050 0.000 1.300 393 A CA 0.675 52.688 52.037 -0.040 0.000 0.913 393 A CB -0.017 18.971 19.000 -0.021 0.000 1.031 393 A HN 1.056 nan 8.150 nan 0.000 0.512 394 G N -0.504 108.262 108.800 -0.056 0.000 2.795 394 G HA2 0.068 4.029 3.960 0.002 0.000 0.664 394 G HA3 0.068 4.029 3.960 0.002 0.000 0.664 394 G C 0.063 174.977 174.900 0.025 0.000 1.381 394 G CA -0.184 44.882 45.100 -0.056 0.000 0.853 394 G HN 1.605 nan 8.290 nan 0.000 0.545 395 T N -1.711 112.902 114.554 0.098 0.000 2.749 395 T HA 0.557 4.908 4.350 0.002 0.000 0.295 395 T C 0.238 174.961 174.700 0.039 0.000 0.936 395 T CA 0.464 62.607 62.100 0.073 0.000 1.060 395 T CB 1.549 70.470 68.868 0.087 0.000 0.904 395 T HN 0.828 nan 8.240 nan 0.000 0.500 396 E N 3.439 123.633 120.200 -0.010 0.000 2.200 396 E HA 0.294 4.645 4.350 0.002 0.000 0.283 396 E C 0.126 176.636 176.600 -0.150 0.000 1.015 396 E CA -0.867 55.514 56.400 -0.033 0.000 0.819 396 E CB 0.530 30.224 29.700 -0.008 0.000 1.081 396 E HN 0.594 nan 8.360 nan 0.000 0.397 397 I N 3.307 123.770 120.570 -0.178 0.000 3.883 397 I HA 0.156 4.327 4.170 0.002 0.000 0.305 397 I C 1.201 177.166 176.117 -0.255 0.000 1.247 397 I CA 0.352 61.372 61.300 -0.467 0.000 1.350 397 I CB -0.461 37.198 38.000 -0.569 0.000 1.194 397 I HN 0.614 nan 8.210 nan 0.000 0.441 398 G N 0.888 109.647 108.800 -0.068 0.000 2.414 398 G HA2 0.258 4.219 3.960 0.002 0.000 0.236 398 G HA3 0.258 4.219 3.960 0.002 0.000 0.236 398 G C 1.116 176.005 174.900 -0.019 0.000 1.293 398 G CA -0.175 44.914 45.100 -0.018 0.000 0.869 398 G HN 0.010 nan 8.290 nan 0.000 0.556 399 V N 2.930 122.837 119.914 -0.012 0.000 2.270 399 V HA -0.044 4.077 4.120 0.002 0.000 0.245 399 V C 2.364 178.451 176.094 -0.012 0.000 1.043 399 V CA 1.951 64.254 62.300 0.005 0.000 1.014 399 V CB -0.774 31.046 31.823 -0.006 0.000 0.645 399 V HN 0.889 nan 8.190 nan 0.000 0.447 400 A N 0.815 123.616 122.820 -0.032 0.000 2.545 400 A HA 0.298 4.619 4.320 0.002 0.000 0.297 400 A C 0.684 178.244 177.584 -0.040 0.000 1.340 400 A CA 0.249 52.256 52.037 -0.050 0.000 1.016 400 A CB -0.385 18.574 19.000 -0.068 0.000 1.122 400 A HN 0.347 nan 8.150 nan 0.000 0.537 401 S N 1.213 116.895 115.700 -0.031 0.000 2.558 401 S HA 0.285 4.756 4.470 0.002 0.000 0.288 401 S C 1.583 176.177 174.600 -0.009 0.000 1.318 401 S CA 0.551 58.746 58.200 -0.008 0.000 1.056 401 S CB 0.623 63.830 63.200 0.012 0.000 0.853 401 S HN 1.007 nan 8.310 nan 0.000 0.505 402 T N 0.585 115.150 114.554 0.019 0.000 3.425 402 T HA 0.154 4.505 4.350 0.002 0.000 0.225 402 T C 1.229 175.970 174.700 0.069 0.000 0.992 402 T CA -0.316 61.806 62.100 0.037 0.000 1.174 402 T CB -0.426 68.434 68.868 -0.012 0.000 1.240 402 T HN 0.560 nan 8.240 nan 0.000 0.350 403 K N 2.060 122.471 120.400 0.019 0.000 2.611 403 K HA 0.433 4.754 4.320 0.002 0.000 0.193 403 K C 1.521 178.131 176.600 0.017 0.000 1.026 403 K CA 0.662 56.950 56.287 0.002 0.000 1.063 403 K CB -0.175 32.307 32.500 -0.029 0.000 0.839 403 K HN 0.436 nan 8.250 nan 0.000 0.505 404 A N 0.237 123.090 122.820 0.056 0.000 2.211 404 A HA 0.131 4.452 4.320 0.002 0.000 0.208 404 A C 1.369 179.023 177.584 0.116 0.000 1.250 404 A CA -0.460 51.614 52.037 0.061 0.000 0.935 404 A CB -0.326 18.707 19.000 0.055 0.000 0.982 404 A HN 0.349 nan 8.150 nan 0.000 0.490 405 F N 2.605 122.535 119.950 -0.033 0.000 1.983 405 F HA -0.179 4.349 4.527 0.002 0.000 0.295 405 F C 2.776 178.558 175.800 -0.030 0.000 1.197 405 F CA 2.736 60.712 58.000 -0.040 0.000 1.165 405 F CB -1.157 37.812 39.000 -0.052 0.000 0.970 405 F HN 0.313 nan 8.300 nan 0.000 0.488 406 T N -1.175 113.213 114.554 -0.276 0.000 2.602 406 T HA -0.387 3.964 4.350 0.002 0.000 0.264 406 T C 1.953 176.548 174.700 -0.175 0.000 1.085 406 T CA 3.226 65.138 62.100 -0.314 0.000 1.164 406 T CB -2.033 66.747 68.868 -0.146 0.000 0.860 406 T HN 0.555 nan 8.240 nan 0.000 0.442 407 T N -0.184 114.320 114.554 -0.084 0.000 2.897 407 T HA -0.147 4.204 4.350 0.002 0.000 0.271 407 T C 2.053 176.727 174.700 -0.042 0.000 1.084 407 T CA 1.533 63.602 62.100 -0.051 0.000 1.123 407 T CB -0.562 68.289 68.868 -0.027 0.000 0.865 407 T HN 0.607 nan 8.240 nan 0.000 0.496 408 Q N 0.524 120.294 119.800 -0.050 0.000 2.096 408 Q HA 0.206 4.547 4.340 0.002 0.000 0.197 408 Q C 2.396 178.360 176.000 -0.059 0.000 0.964 408 Q CA 0.957 56.741 55.803 -0.032 0.000 0.838 408 Q CB -0.397 28.342 28.738 0.001 0.000 0.906 408 Q HN 0.493 nan 8.270 nan 0.000 0.444 409 L N 0.009 121.143 121.223 -0.148 0.000 1.978 409 L HA -0.291 4.050 4.340 0.002 0.000 0.218 409 L C 2.406 179.333 176.870 0.095 0.000 1.075 409 L CA 1.530 56.322 54.840 -0.079 0.000 0.767 409 L CB -1.192 40.757 42.059 -0.184 0.000 0.890 409 L HN 0.268 nan 8.230 nan 0.000 0.434 410 T N -0.212 114.345 114.554 0.005 0.000 2.505 410 T HA -0.259 4.092 4.350 0.002 0.000 0.259 410 T C 1.918 176.628 174.700 0.016 0.000 1.158 410 T CA 2.102 64.202 62.100 0.001 0.000 1.190 410 T CB -0.489 68.360 68.868 -0.032 0.000 0.864 410 T HN 0.070 nan 8.240 nan 0.000 0.413 411 V N 1.451 121.370 119.914 0.008 0.000 2.332 411 V HA -0.161 3.960 4.120 0.002 0.000 0.248 411 V C 2.577 178.696 176.094 0.042 0.000 1.055 411 V CA 1.580 63.890 62.300 0.017 0.000 1.038 411 V CB -0.719 31.114 31.823 0.018 0.000 0.651 411 V HN 0.430 nan 8.190 nan 0.000 0.450 412 L N -1.237 120.016 121.223 0.051 0.000 2.013 412 L HA -0.252 4.089 4.340 0.002 0.000 0.212 412 L C 2.459 179.367 176.870 0.062 0.000 1.073 412 L CA 1.584 56.452 54.840 0.047 0.000 0.753 412 L CB -0.499 41.544 42.059 -0.026 0.000 0.890 412 L HN 0.345 nan 8.230 nan 0.000 0.432 413 L N -0.455 120.878 121.223 0.184 0.000 1.961 413 L HA -0.238 4.103 4.340 0.002 0.000 0.210 413 L C 2.341 179.189 176.870 -0.037 0.000 1.072 413 L CA 1.729 56.595 54.840 0.043 0.000 0.749 413 L CB -0.500 41.479 42.059 -0.135 0.000 0.889 413 L HN 0.178 nan 8.230 nan 0.000 0.432 414 M N -0.923 118.659 119.600 -0.029 0.000 2.822 414 M HA -0.172 4.309 4.480 0.002 0.000 0.238 414 M C 1.087 177.390 176.300 0.006 0.000 1.026 414 M CA 0.987 56.270 55.300 -0.028 0.000 1.074 414 M CB -0.044 32.542 32.600 -0.024 0.000 1.445 414 M HN 0.403 nan 8.290 nan 0.000 0.561 415 L N -2.459 118.785 121.223 0.036 0.000 2.840 415 L HA 0.147 4.488 4.340 0.002 0.000 0.249 415 L C 1.384 178.332 176.870 0.131 0.000 1.119 415 L CA 0.461 55.357 54.840 0.093 0.000 0.930 415 L CB -0.055 42.094 42.059 0.151 0.000 1.295 415 L HN -0.039 nan 8.230 nan 0.000 0.534 416 V N 1.026 120.977 119.914 0.063 0.000 2.407 416 V HA -0.219 3.902 4.120 0.002 0.000 0.248 416 V C 2.717 178.841 176.094 0.050 0.000 1.055 416 V CA 1.552 63.889 62.300 0.062 0.000 1.049 416 V CB -1.554 30.239 31.823 -0.050 0.000 0.662 416 V HN 0.573 nan 8.190 nan 0.000 0.455 417 A N 0.645 123.467 122.820 0.004 0.000 2.125 417 A HA -0.306 4.016 4.320 0.002 0.000 0.199 417 A C 2.120 179.711 177.584 0.011 0.000 1.193 417 A CA 2.275 54.303 52.037 -0.015 0.000 0.747 417 A CB -0.890 18.091 19.000 -0.032 0.000 0.853 417 A HN 0.394 nan 8.150 nan 0.000 0.513 418 K N -0.488 119.921 120.400 0.015 0.000 2.385 418 K HA -0.145 4.176 4.320 0.002 0.000 0.202 418 K C 1.594 178.215 176.600 0.035 0.000 1.044 418 K CA 1.578 57.876 56.287 0.019 0.000 0.933 418 K CB -0.573 31.941 32.500 0.024 0.000 0.744 418 K HN 0.547 nan 8.250 nan 0.000 0.479 419 L N -0.810 120.451 121.223 0.063 0.000 2.202 419 L HA -0.015 4.326 4.340 0.002 0.000 0.205 419 L C 1.918 178.823 176.870 0.057 0.000 1.083 419 L CA 0.933 55.816 54.840 0.072 0.000 0.790 419 L CB -0.343 41.794 42.059 0.130 0.000 0.942 419 L HN 0.192 nan 8.230 nan 0.000 0.452 420 S N -0.870 114.863 115.700 0.054 0.000 2.660 420 S HA -0.076 4.395 4.470 0.002 0.000 0.228 420 S C 1.534 176.140 174.600 0.010 0.000 0.966 420 S CA 0.681 58.902 58.200 0.035 0.000 0.940 420 S CB 0.098 63.310 63.200 0.020 0.000 0.773 420 S HN 0.202 nan 8.310 nan 0.000 0.535 421 K N 1.110 121.515 120.400 0.009 0.000 2.431 421 K HA 0.455 4.776 4.320 0.002 0.000 0.213 421 K C 1.729 178.332 176.600 0.006 0.000 1.258 421 K CA 0.371 56.657 56.287 -0.002 0.000 0.845 421 K CB -1.039 31.453 32.500 -0.014 0.000 1.498 421 K HN 0.269 nan 8.250 nan 0.000 0.451 422 L N 2.164 123.393 121.223 0.010 0.000 2.030 422 L HA -0.362 3.979 4.340 0.002 0.000 0.222 422 L C 2.197 179.073 176.870 0.011 0.000 1.082 422 L CA 2.631 57.477 54.840 0.011 0.000 0.785 422 L CB -0.856 41.212 42.059 0.014 0.000 0.895 422 L HN 0.337 nan 8.230 nan 0.000 0.439 423 K N 0.327 120.735 120.400 0.013 0.000 2.113 423 K HA -0.098 4.223 4.320 0.002 0.000 0.208 423 K C 1.054 177.660 176.600 0.011 0.000 1.047 423 K CA 1.225 57.520 56.287 0.012 0.000 0.928 423 K CB -0.491 32.019 32.500 0.016 0.000 0.716 423 K HN 0.403 nan 8.250 nan 0.000 0.446 424 G N 0.885 109.691 108.800 0.010 0.000 2.797 424 G HA2 -0.051 3.910 3.960 0.002 0.000 0.192 424 G HA3 -0.051 3.910 3.960 0.002 0.000 0.192 424 G C -0.794 174.111 174.900 0.009 0.000 1.101 424 G CA -0.260 44.845 45.100 0.008 0.000 0.930 424 G HN 0.171 nan 8.290 nan 0.000 0.512 425 L N -0.054 121.174 121.223 0.007 0.000 2.299 425 L HA 0.872 5.213 4.340 0.002 0.000 0.268 425 L C 0.661 177.533 176.870 0.003 0.000 1.012 425 L CA -0.754 54.091 54.840 0.008 0.000 0.816 425 L CB 1.119 43.186 42.059 0.012 0.000 1.355 425 L HN 0.250 nan 8.230 nan 0.000 0.457 426 D N 0.152 120.555 120.400 0.005 0.000 2.622 426 D HA 0.016 4.657 4.640 0.002 0.000 0.227 426 D C 0.409 176.702 176.300 -0.012 0.000 1.159 426 D CA 1.143 55.146 54.000 0.005 0.000 0.865 426 D CB 1.164 41.970 40.800 0.010 0.000 1.207 426 D HN 0.657 nan 8.370 nan 0.000 0.492 427 A N 2.545 125.363 122.820 -0.004 0.000 2.063 427 A HA 0.010 4.331 4.320 0.002 0.000 0.211 427 A C 2.103 179.658 177.584 -0.049 0.000 1.177 427 A CA 1.014 53.018 52.037 -0.055 0.000 0.759 427 A CB -0.461 18.538 19.000 -0.002 0.000 0.857 427 A HN 0.576 nan 8.150 nan 0.000 0.468 428 S N 0.368 116.113 115.700 0.076 0.000 2.359 428 S HA -0.169 4.302 4.470 0.002 0.000 0.224 428 S C 1.887 176.528 174.600 0.068 0.000 1.035 428 S CA 1.567 59.850 58.200 0.140 0.000 1.018 428 S CB -0.505 62.744 63.200 0.081 0.000 0.876 428 S HN 0.465 nan 8.310 nan 0.000 0.448 429 I N 1.064 121.640 120.570 0.010 0.000 2.567 429 I HA -0.098 4.073 4.170 0.002 0.000 0.257 429 I C 2.651 178.739 176.117 -0.049 0.000 1.184 429 I CA 1.477 62.769 61.300 -0.013 0.000 1.451 429 I CB -0.187 37.805 38.000 -0.013 0.000 1.089 429 I HN 0.543 nan 8.210 nan 0.000 0.441 430 E N -0.357 119.783 120.200 -0.100 0.000 2.285 430 E HA -0.183 4.168 4.350 0.002 0.000 0.194 430 E C 1.302 177.803 176.600 -0.165 0.000 0.997 430 E CA 0.486 56.789 56.400 -0.161 0.000 0.845 430 E CB 0.156 29.721 29.700 -0.226 0.000 0.782 430 E HN 0.546 nan 8.360 nan 0.000 0.491 431 H N 0.189 119.266 119.070 0.011 0.000 2.547 431 H HA 0.057 4.614 4.556 0.002 0.000 0.274 431 H C 0.203 175.547 175.328 0.025 0.000 1.024 431 H CA 0.487 56.562 56.048 0.044 0.000 1.155 431 H CB 0.460 30.237 29.762 0.025 0.000 1.344 431 H HN 0.238 nan 8.280 nan 0.000 0.598 432 D N -0.735 119.701 120.400 0.059 0.000 2.474 432 D HA 0.125 4.766 4.640 0.002 0.000 0.213 432 D C 1.673 177.933 176.300 -0.067 0.000 1.120 432 D CA 0.057 54.055 54.000 -0.003 0.000 0.836 432 D CB 1.201 41.981 40.800 -0.033 0.000 1.019 432 D HN 0.342 nan 8.370 nan 0.000 0.507 433 I N -0.155 120.369 120.570 -0.078 0.000 3.570 433 I HA -0.068 4.103 4.170 0.002 0.000 0.270 433 I C 1.941 177.995 176.117 -0.104 0.000 1.162 433 I CA 0.271 61.485 61.300 -0.143 0.000 1.413 433 I CB 0.800 38.692 38.000 -0.179 0.000 1.437 433 I HN -0.255 nan 8.210 nan 0.000 0.457 434 V N 0.286 120.156 119.914 -0.073 0.000 2.913 434 V HA -0.190 3.931 4.120 0.002 0.000 0.260 434 V C 1.469 177.482 176.094 -0.134 0.000 1.098 434 V CA 1.413 63.658 62.300 -0.092 0.000 1.121 434 V CB -0.823 30.953 31.823 -0.078 0.000 0.714 434 V HN 0.418 nan 8.190 nan 0.000 0.487 435 H N -0.544 118.514 119.070 -0.019 0.000 2.512 435 H HA 0.377 4.934 4.556 0.002 0.000 0.276 435 H C 1.435 176.730 175.328 -0.055 0.000 1.126 435 H CA 0.669 56.706 56.048 -0.019 0.000 1.060 435 H CB 0.884 30.655 29.762 0.014 0.000 1.646 435 H HN 0.420 nan 8.280 nan 0.000 0.571 436 G N -0.051 108.740 108.800 -0.015 0.000 3.839 436 G HA2 0.206 4.167 3.960 0.002 0.000 0.286 436 G HA3 0.206 4.167 3.960 0.002 0.000 0.286 436 G C 0.890 175.727 174.900 -0.106 0.000 1.005 436 G CA -0.071 44.986 45.100 -0.072 0.000 0.824 436 G HN 0.212 nan 8.290 nan 0.000 0.489 437 L N -1.278 119.888 121.223 -0.096 0.000 2.663 437 L HA 0.177 4.518 4.340 0.002 0.000 0.218 437 L C 2.460 179.281 176.870 -0.081 0.000 1.043 437 L CA 0.176 54.957 54.840 -0.097 0.000 0.876 437 L CB -0.004 41.992 42.059 -0.106 0.000 1.263 437 L HN 0.073 nan 8.230 nan 0.000 0.486 438 Q N 0.700 120.444 119.800 -0.093 0.000 2.439 438 Q HA -0.076 4.265 4.340 0.002 0.000 0.211 438 Q C 1.557 177.528 176.000 -0.049 0.000 0.978 438 Q CA 1.252 57.005 55.803 -0.083 0.000 0.897 438 Q CB 0.019 28.684 28.738 -0.121 0.000 0.956 438 Q HN 0.472 nan 8.270 nan 0.000 0.483 439 A N -0.138 122.657 122.820 -0.040 0.000 2.430 439 A HA 0.076 4.397 4.320 0.002 0.000 0.243 439 A C 1.490 179.054 177.584 -0.033 0.000 1.254 439 A CA -0.183 51.836 52.037 -0.030 0.000 0.914 439 A CB 0.149 19.134 19.000 -0.025 0.000 0.998 439 A HN 0.223 nan 8.150 nan 0.000 0.515 440 L N 1.039 122.240 121.223 -0.037 0.000 2.027 440 L HA 0.056 4.397 4.340 0.002 0.000 0.206 440 L C -1.144 175.721 176.870 -0.008 0.000 1.074 440 L CA 2.074 56.901 54.840 -0.021 0.000 0.745 440 L CB -1.353 40.686 42.059 -0.033 0.000 0.898 440 L HN 0.126 nan 8.230 nan 0.000 0.433 441 P HA -0.116 nan 4.420 nan 0.000 0.229 441 P C 1.572 178.859 177.300 -0.021 0.000 1.150 441 P CA 1.595 64.678 63.100 -0.028 0.000 0.765 441 P CB -0.100 31.580 31.700 -0.033 0.000 0.783 442 S N -1.893 113.801 115.700 -0.010 0.000 2.545 442 S HA 0.092 4.563 4.470 0.002 0.000 0.232 442 S C 1.951 176.564 174.600 0.021 0.000 1.070 442 S CA -0.261 57.937 58.200 -0.004 0.000 0.923 442 S CB -0.297 62.900 63.200 -0.006 0.000 0.806 442 S HN -0.160 nan 8.310 nan 0.000 0.506 443 R N 1.391 121.917 120.500 0.043 0.000 2.083 443 R HA 0.110 4.451 4.340 0.002 0.000 0.237 443 R C 2.174 178.619 176.300 0.241 0.000 1.137 443 R CA 1.595 57.775 56.100 0.133 0.000 0.951 443 R CB -1.176 29.170 30.300 0.076 0.000 0.851 443 R HN 0.518 nan 8.270 nan 0.000 0.434 444 I N 0.674 121.309 120.570 0.109 0.000 2.226 444 I HA -0.243 3.929 4.170 0.002 0.000 0.245 444 I C 2.466 178.519 176.117 -0.108 0.000 1.100 444 I CA 1.160 62.434 61.300 -0.042 0.000 1.374 444 I CB -0.246 37.708 38.000 -0.076 0.000 1.057 444 I HN 0.107 nan 8.210 nan 0.000 0.413 445 E N 1.111 121.269 120.200 -0.069 0.000 2.058 445 E HA -0.324 4.027 4.350 0.002 0.000 0.194 445 E C 2.056 178.615 176.600 -0.068 0.000 0.997 445 E CA 1.675 58.022 56.400 -0.088 0.000 0.801 445 E CB -0.225 29.445 29.700 -0.050 0.000 0.746 445 E HN 0.347 nan 8.360 nan 0.000 0.450 446 Q N -0.972 118.825 119.800 -0.004 0.000 2.248 446 Q HA -0.155 4.187 4.340 0.002 0.000 0.208 446 Q C 1.832 177.836 176.000 0.007 0.000 0.984 446 Q CA 1.693 57.514 55.803 0.029 0.000 0.875 446 Q CB -0.193 28.598 28.738 0.089 0.000 0.910 446 Q HN 0.294 nan 8.270 nan 0.000 0.433 447 M N -0.863 118.695 119.600 -0.070 0.000 2.299 447 M HA 0.077 4.558 4.480 0.002 0.000 0.264 447 M C 1.701 177.866 176.300 -0.224 0.000 1.095 447 M CA 1.085 56.244 55.300 -0.235 0.000 1.165 447 M CB -0.536 31.694 32.600 -0.616 0.000 1.349 447 M HN 0.355 nan 8.290 nan 0.000 0.446 448 L N 0.188 121.253 121.223 -0.264 0.000 2.189 448 L HA -0.239 4.102 4.340 0.002 0.000 0.214 448 L C 2.300 179.047 176.870 -0.203 0.000 1.097 448 L CA 1.429 56.061 54.840 -0.347 0.000 0.764 448 L CB -1.230 40.463 42.059 -0.610 0.000 0.900 448 L HN 0.357 nan 8.230 nan 0.000 0.436 449 S N -0.437 115.186 115.700 -0.128 0.000 2.389 449 S HA -0.285 4.186 4.470 0.002 0.000 0.231 449 S C 1.743 176.340 174.600 -0.005 0.000 1.052 449 S CA 1.193 59.368 58.200 -0.041 0.000 1.053 449 S CB -0.513 62.674 63.200 -0.023 0.000 0.886 449 S HN 0.474 nan 8.310 nan 0.000 0.456 450 Q N 1.449 121.240 119.800 -0.015 0.000 2.541 450 Q HA -0.045 4.297 4.340 0.002 0.000 0.215 450 Q C 1.585 177.605 176.000 0.034 0.000 0.977 450 Q CA 0.547 56.360 55.803 0.017 0.000 0.934 450 Q CB -0.624 28.130 28.738 0.026 0.000 0.988 450 Q HN 0.708 nan 8.270 nan 0.000 0.521 451 D N 1.481 121.910 120.400 0.048 0.000 2.242 451 D HA -0.239 4.402 4.640 0.002 0.000 0.193 451 D C 1.404 177.709 176.300 0.009 0.000 1.005 451 D CA 1.340 55.395 54.000 0.092 0.000 0.856 451 D CB 0.386 41.332 40.800 0.243 0.000 1.001 451 D HN -0.001 nan 8.370 nan 0.000 0.452 452 K N 0.460 120.879 120.400 0.031 0.000 2.189 452 K HA -0.182 4.139 4.320 0.002 0.000 0.207 452 K C 2.251 178.840 176.600 -0.017 0.000 1.046 452 K CA 0.664 56.952 56.287 0.000 0.000 0.928 452 K CB -0.438 32.078 32.500 0.028 0.000 0.720 452 K HN 0.223 nan 8.250 nan 0.000 0.458 453 R N 0.931 121.436 120.500 0.008 0.000 2.073 453 R HA 0.023 4.364 4.340 0.002 0.000 0.229 453 R C 2.228 178.545 176.300 0.029 0.000 1.120 453 R CA 0.875 56.989 56.100 0.023 0.000 0.967 453 R CB -0.238 30.084 30.300 0.037 0.000 0.862 453 R HN 0.244 nan 8.270 nan 0.000 0.436 454 I N -0.084 120.503 120.570 0.028 0.000 2.353 454 I HA -0.154 4.017 4.170 0.002 0.000 0.248 454 I C 2.416 178.515 176.117 -0.030 0.000 1.119 454 I CA 0.974 62.313 61.300 0.066 0.000 1.417 454 I CB -0.609 37.473 38.000 0.136 0.000 1.078 454 I HN 0.222 nan 8.210 nan 0.000 0.421 455 E N 2.233 122.291 120.200 -0.237 0.000 2.038 455 E HA -0.254 4.097 4.350 0.002 0.000 0.195 455 E C 2.230 178.776 176.600 -0.089 0.000 1.000 455 E CA 1.737 57.906 56.400 -0.385 0.000 0.803 455 E CB -0.081 29.273 29.700 -0.576 0.000 0.750 455 E HN 0.465 nan 8.360 nan 0.000 0.448 456 A N 0.376 123.173 122.820 -0.038 0.000 2.216 456 A HA -0.071 4.250 4.320 0.002 0.000 0.214 456 A C 1.917 179.539 177.584 0.064 0.000 1.160 456 A CA 0.695 52.744 52.037 0.020 0.000 0.725 456 A CB -0.256 18.758 19.000 0.023 0.000 0.784 456 A HN 0.380 nan 8.150 nan 0.000 0.472 457 L N -1.382 119.889 121.223 0.080 0.000 2.354 457 L HA 0.306 4.647 4.340 0.002 0.000 0.212 457 L C 2.459 179.469 176.870 0.233 0.000 1.091 457 L CA 1.466 56.401 54.840 0.158 0.000 0.828 457 L CB -0.702 41.458 42.059 0.169 0.000 0.973 457 L HN 0.272 nan 8.230 nan 0.000 0.461 458 A N 0.459 123.385 122.820 0.177 0.000 1.873 458 A HA -0.230 4.091 4.320 0.002 0.000 0.215 458 A C 1.939 179.694 177.584 0.284 0.000 1.186 458 A CA 1.461 53.633 52.037 0.225 0.000 0.616 458 A CB -0.729 18.332 19.000 0.103 0.000 0.823 458 A HN 0.670 nan 8.150 nan 0.000 0.442 459 E N 0.369 120.666 120.200 0.162 0.000 2.407 459 E HA -0.371 3.980 4.350 0.002 0.000 0.222 459 E C 1.062 177.736 176.600 0.123 0.000 1.104 459 E CA 2.005 58.478 56.400 0.121 0.000 0.876 459 E CB -0.924 28.827 29.700 0.084 0.000 0.749 459 E HN 0.633 nan 8.360 nan 0.000 0.470 460 D N 0.438 120.917 120.400 0.131 0.000 2.097 460 D HA -0.127 4.514 4.640 0.002 0.000 0.195 460 D C 1.123 177.371 176.300 -0.087 0.000 0.989 460 D CA 1.230 55.216 54.000 -0.024 0.000 0.827 460 D CB -0.378 40.347 40.800 -0.125 0.000 0.966 460 D HN 0.301 nan 8.370 nan 0.000 0.456 461 F N 0.928 120.832 119.950 -0.077 0.000 2.788 461 F HA 0.049 4.577 4.527 0.002 0.000 0.300 461 F C 2.136 177.920 175.800 -0.028 0.000 1.229 461 F CA 0.097 58.057 58.000 -0.067 0.000 1.446 461 F CB -0.645 38.294 39.000 -0.102 0.000 1.118 461 F HN -0.166 nan 8.300 nan 0.000 0.579 462 S N 0.431 116.213 115.700 0.136 0.000 2.356 462 S HA -0.204 4.267 4.470 0.002 0.000 0.223 462 S C 1.763 176.414 174.600 0.085 0.000 1.032 462 S CA 1.776 60.029 58.200 0.088 0.000 1.005 462 S CB -0.275 62.966 63.200 0.069 0.000 0.867 462 S HN 0.578 nan 8.310 nan 0.000 0.449 463 D N 0.109 120.573 120.400 0.107 0.000 2.367 463 D HA 0.065 4.706 4.640 0.002 0.000 0.207 463 D C 0.261 176.734 176.300 0.289 0.000 1.034 463 D CA 0.167 54.267 54.000 0.167 0.000 0.861 463 D CB -0.139 40.733 40.800 0.121 0.000 0.943 463 D HN 0.028 nan 8.370 nan 0.000 0.515 464 K N 0.521 121.053 120.400 0.220 0.000 2.319 464 K HA 0.104 4.425 4.320 0.002 0.000 0.265 464 K C 0.157 177.012 176.600 0.425 0.000 1.000 464 K CA 0.084 56.551 56.287 0.300 0.000 0.943 464 K CB 0.459 33.042 32.500 0.139 0.000 0.950 464 K HN 0.201 nan 8.250 nan 0.000 0.485 465 H N -1.009 118.099 119.070 0.062 0.000 3.440 465 H HA 0.189 4.746 4.556 0.002 0.000 0.259 465 H C -0.123 175.001 175.328 -0.340 0.000 1.120 465 H CA 0.043 56.009 56.048 -0.138 0.000 1.191 465 H CB 0.416 30.031 29.762 -0.245 0.000 1.537 465 H HN 0.460 nan 8.280 nan 0.000 0.547 466 H N -0.244 118.988 119.070 0.270 0.000 2.676 466 H HA 0.784 5.341 4.556 0.002 0.000 0.352 466 H C -0.478 175.001 175.328 0.252 0.000 1.193 466 H CA -0.736 55.450 56.048 0.231 0.000 1.243 466 H CB 2.241 32.087 29.762 0.140 0.000 1.751 466 H HN 0.117 nan 8.280 nan 0.000 0.567 467 A N 2.326 125.384 122.820 0.397 0.000 2.770 467 A HA 0.166 4.487 4.320 0.002 0.000 0.295 467 A C -0.921 176.951 177.584 0.481 0.000 1.256 467 A CA -0.627 51.655 52.037 0.409 0.000 0.870 467 A CB -0.139 19.144 19.000 0.471 0.000 1.451 467 A HN 0.476 nan 8.150 nan 0.000 0.505 468 L N 1.599 123.058 121.223 0.394 0.000 2.499 468 L HA 0.675 5.016 4.340 0.002 0.000 0.273 468 L C -1.162 175.975 176.870 0.445 0.000 1.195 468 L CA 0.710 55.815 54.840 0.442 0.000 0.882 468 L CB -0.238 42.037 42.059 0.360 0.000 1.133 468 L HN 0.403 nan 8.230 nan 0.000 0.483 469 F N 5.443 125.545 119.950 0.253 0.000 2.469 469 F HA 0.635 5.163 4.527 0.002 0.000 0.332 469 F C -0.220 175.726 175.800 0.245 0.000 1.103 469 F CA -0.487 57.641 58.000 0.214 0.000 0.979 469 F CB 1.573 40.653 39.000 0.133 0.000 1.137 469 F HN 0.343 nan 8.300 nan 0.000 0.463 470 L N 2.219 123.644 121.223 0.337 0.000 2.354 470 L HA 0.988 5.329 4.340 0.002 0.000 0.264 470 L C -0.193 176.834 176.870 0.261 0.000 1.008 470 L CA -1.041 53.983 54.840 0.307 0.000 0.819 470 L CB 2.222 44.420 42.059 0.232 0.000 1.339 470 L HN 0.712 nan 8.230 nan 0.000 0.420 471 G N 0.856 109.818 108.800 0.270 0.000 2.752 471 G HA2 0.471 4.432 3.960 0.002 0.000 0.298 471 G HA3 0.471 4.432 3.960 0.002 0.000 0.298 471 G C -2.030 172.996 174.900 0.210 0.000 1.434 471 G CA -0.615 44.608 45.100 0.206 0.000 1.004 471 G HN 0.431 nan 8.290 nan 0.000 0.560 472 R N 0.795 121.365 120.500 0.117 0.000 2.599 472 R HA 0.662 5.003 4.340 0.002 0.000 0.295 472 R C 0.890 177.219 176.300 0.048 0.000 0.963 472 R CA 0.734 56.889 56.100 0.093 0.000 0.883 472 R CB 1.772 32.120 30.300 0.080 0.000 1.171 472 R HN 1.748 nan 8.270 nan 0.000 0.450 473 G N 3.097 111.927 108.800 0.050 0.000 2.523 473 G HA2 -0.370 3.592 3.960 0.002 0.000 0.271 473 G HA3 -0.370 3.592 3.960 0.002 0.000 0.271 473 G C 0.225 174.834 174.900 -0.486 0.000 1.146 473 G CA 0.440 45.550 45.100 0.016 0.000 0.961 473 G HN 0.760 nan 8.290 nan 0.000 0.549 474 D N 0.657 120.830 120.400 -0.379 0.000 2.352 474 D HA 0.131 4.772 4.640 0.002 0.000 0.232 474 D C 1.806 177.969 176.300 -0.228 0.000 1.055 474 D CA 1.266 54.983 54.000 -0.472 0.000 0.891 474 D CB 0.148 40.937 40.800 -0.018 0.000 0.897 474 D HN 0.370 nan 8.370 nan 0.000 0.529 475 Q N -0.783 118.934 119.800 -0.139 0.000 2.349 475 Q HA -0.012 4.330 4.340 0.002 0.000 0.209 475 Q C 1.477 177.477 176.000 -0.000 0.000 0.920 475 Q CA 0.161 55.938 55.803 -0.044 0.000 0.901 475 Q CB -0.621 28.102 28.738 -0.026 0.000 1.021 475 Q HN 0.394 nan 8.270 nan 0.000 0.519 476 Y N 2.988 123.218 120.300 -0.118 0.000 2.030 476 Y HA -0.222 4.330 4.550 0.002 0.000 0.272 476 Y C -0.959 174.910 175.900 -0.052 0.000 1.185 476 Y CA 2.194 60.265 58.100 -0.048 0.000 1.120 476 Y CB -1.489 36.950 38.460 -0.035 0.000 0.955 476 Y HN 0.100 nan 8.280 nan 0.000 0.495 477 P HA -0.201 nan 4.420 nan 0.000 0.217 477 P C 1.557 178.741 177.300 -0.193 0.000 1.148 477 P CA 1.981 64.875 63.100 -0.342 0.000 0.828 477 P CB -0.152 31.392 31.700 -0.259 0.000 0.783 478 I N -1.601 118.925 120.570 -0.074 0.000 3.059 478 I HA 0.020 4.191 4.170 0.002 0.000 0.270 478 I C 2.044 178.171 176.117 0.018 0.000 1.238 478 I CA 0.574 61.901 61.300 0.045 0.000 1.478 478 I CB -1.708 36.362 38.000 0.116 0.000 1.097 478 I HN -0.099 nan 8.210 nan 0.000 0.455 479 A N 1.349 124.165 122.820 -0.006 0.000 1.898 479 A HA -0.049 4.272 4.320 0.002 0.000 0.214 479 A C 2.348 179.891 177.584 -0.068 0.000 1.183 479 A CA 0.807 52.911 52.037 0.113 0.000 0.622 479 A CB -0.555 18.563 19.000 0.197 0.000 0.824 479 A HN 0.320 nan 8.150 nan 0.000 0.444 480 L N -0.611 120.454 121.223 -0.263 0.000 1.970 480 L HA -0.240 4.101 4.340 0.002 0.000 0.212 480 L C 2.622 179.280 176.870 -0.353 0.000 1.071 480 L CA 1.931 56.573 54.840 -0.329 0.000 0.751 480 L CB -0.655 41.177 42.059 -0.377 0.000 0.889 480 L HN 0.431 nan 8.230 nan 0.000 0.432 481 E N 0.595 120.592 120.200 -0.339 0.000 2.187 481 E HA -0.202 4.149 4.350 0.002 0.000 0.199 481 E C 2.070 178.437 176.600 -0.388 0.000 1.004 481 E CA 1.541 57.680 56.400 -0.435 0.000 0.813 481 E CB -0.446 28.904 29.700 -0.583 0.000 0.736 481 E HN 0.410 nan 8.360 nan 0.000 0.468 482 G N -0.329 108.261 108.800 -0.351 0.000 2.408 482 G HA2 -0.143 3.818 3.960 0.002 0.000 0.217 482 G HA3 -0.143 3.818 3.960 0.002 0.000 0.217 482 G C 1.617 175.904 174.900 -1.023 0.000 1.150 482 G CA 0.769 45.611 45.100 -0.431 0.000 0.776 482 G HN 0.428 nan 8.290 nan 0.000 0.542 483 A N -0.176 121.949 122.820 -1.158 0.000 2.021 483 A HA 0.328 4.650 4.320 0.002 0.000 0.216 483 A C 1.424 178.725 177.584 -0.472 0.000 1.163 483 A CA 0.226 51.686 52.037 -0.961 0.000 0.676 483 A CB -0.128 18.468 19.000 -0.675 0.000 0.818 483 A HN 0.380 nan 8.150 nan 0.000 0.453 484 L N 0.289 121.271 121.223 -0.400 0.000 2.391 484 L HA 0.253 4.594 4.340 0.002 0.000 0.249 484 L C 0.397 177.106 176.870 -0.268 0.000 1.308 484 L CA 0.426 55.098 54.840 -0.280 0.000 1.209 484 L CB -0.888 41.013 42.059 -0.264 0.000 1.401 484 L HN 0.260 nan 8.230 nan 0.000 0.416 485 K N 0.509 120.765 120.400 -0.240 0.000 2.998 485 K HA -0.038 4.283 4.320 0.002 0.000 0.300 485 K C 0.806 177.300 176.600 -0.177 0.000 3.036 485 K CA 0.249 56.420 56.287 -0.193 0.000 1.614 485 K CB -0.583 31.801 32.500 -0.193 0.000 3.244 485 K HN 0.171 nan 8.250 nan 0.000 0.272 486 L N 3.540 124.656 121.223 -0.179 0.000 2.113 486 L HA -0.217 4.124 4.340 0.002 0.000 0.221 486 L C 2.332 179.124 176.870 -0.130 0.000 1.084 486 L CA 2.484 57.242 54.840 -0.137 0.000 0.787 486 L CB -0.593 41.444 42.059 -0.035 0.000 0.893 486 L HN 0.519 nan 8.230 nan 0.000 0.440 487 K N -0.730 119.592 120.400 -0.131 0.000 2.025 487 K HA -0.237 4.084 4.320 0.002 0.000 0.207 487 K C 2.145 178.730 176.600 -0.024 0.000 1.049 487 K CA 1.753 57.991 56.287 -0.082 0.000 0.933 487 K CB -0.244 32.179 32.500 -0.129 0.000 0.714 487 K HN 0.576 nan 8.250 nan 0.000 0.438 488 E N 0.644 120.803 120.200 -0.068 0.000 2.152 488 E HA -0.126 4.225 4.350 0.002 0.000 0.192 488 E C 1.976 178.583 176.600 0.012 0.000 0.983 488 E CA 1.267 57.661 56.400 -0.009 0.000 0.818 488 E CB -0.018 29.646 29.700 -0.060 0.000 0.758 488 E HN 0.601 nan 8.360 nan 0.000 0.467 489 I N -3.362 117.113 120.570 -0.159 0.000 3.939 489 I HA 0.238 4.409 4.170 0.002 0.000 0.313 489 I C 2.120 177.817 176.117 -0.700 0.000 1.274 489 I CA 0.035 61.138 61.300 -0.330 0.000 1.301 489 I CB 0.525 38.373 38.000 -0.255 0.000 1.105 489 I HN -0.113 nan 8.210 nan 0.000 0.427 490 S N -0.419 114.959 115.700 -0.537 0.000 2.492 490 S HA 0.096 4.567 4.470 0.002 0.000 0.218 490 S C 0.686 174.992 174.600 -0.489 0.000 1.016 490 S CA 0.153 58.015 58.200 -0.562 0.000 0.916 490 S CB -0.176 62.849 63.200 -0.293 0.000 0.791 490 S HN 0.605 nan 8.310 nan 0.000 0.513 491 Y N -0.542 119.685 120.300 -0.122 0.000 4.907 491 Y HA -0.170 4.381 4.550 0.002 0.000 0.246 491 Y C 0.048 175.877 175.900 -0.118 0.000 0.968 491 Y CA -0.707 57.321 58.100 -0.120 0.000 1.961 491 Y CB -2.600 35.793 38.460 -0.112 0.000 1.487 491 Y HN 0.187 nan 8.280 nan 0.000 0.575 492 I N 2.705 123.280 120.570 0.007 0.000 2.576 492 I HA -0.061 4.110 4.170 0.002 0.000 0.288 492 I C 1.507 177.673 176.117 0.080 0.000 1.126 492 I CA 0.066 61.380 61.300 0.023 0.000 1.362 492 I CB -0.265 37.760 38.000 0.042 0.000 1.419 492 I HN 0.192 nan 8.210 nan 0.000 0.533 493 H N 7.071 126.136 119.070 -0.009 0.000 3.991 493 H HA 0.059 4.616 4.556 0.002 0.000 0.212 493 H C -0.085 175.300 175.328 0.096 0.000 1.175 493 H CA -0.059 56.003 56.048 0.023 0.000 1.482 493 H CB -0.083 29.674 29.762 -0.008 0.000 1.690 493 H HN 0.592 nan 8.280 nan 0.000 0.673 494 A N 4.929 127.893 122.820 0.239 0.000 2.279 494 A HA 0.284 4.605 4.320 0.002 0.000 0.306 494 A C 0.359 178.043 177.584 0.167 0.000 1.300 494 A CA -0.635 51.534 52.037 0.221 0.000 0.925 494 A CB 0.268 19.273 19.000 0.008 0.000 1.152 494 A HN 0.776 nan 8.150 nan 0.000 0.544 495 E N 2.156 122.502 120.200 0.244 0.000 2.179 495 E HA 0.602 4.953 4.350 0.002 0.000 0.275 495 E C -0.404 176.221 176.600 0.042 0.000 0.945 495 E CA -0.602 55.837 56.400 0.066 0.000 0.792 495 E CB 1.385 31.096 29.700 0.019 0.000 1.125 495 E HN 0.696 nan 8.360 nan 0.000 0.397 496 A N 4.958 127.722 122.820 -0.094 0.000 2.412 496 A HA 0.364 4.685 4.320 0.002 0.000 0.334 496 A C -1.433 176.230 177.584 0.132 0.000 1.419 496 A CA -0.411 51.658 52.037 0.054 0.000 0.930 496 A CB -0.100 18.855 19.000 -0.075 0.000 1.149 496 A HN 0.575 nan 8.150 nan 0.000 0.515 497 Y N 0.866 121.364 120.300 0.329 0.000 2.374 497 Y HA 0.492 5.043 4.550 0.002 0.000 0.322 497 Y C 0.943 177.090 175.900 0.411 0.000 1.275 497 Y CA -0.164 58.143 58.100 0.344 0.000 1.307 497 Y CB 1.418 40.006 38.460 0.214 0.000 1.282 497 Y HN 0.664 nan 8.280 nan 0.000 0.509 498 A N 1.392 124.382 122.820 0.284 0.000 2.478 498 A HA 0.565 4.886 4.320 0.002 0.000 0.327 498 A C 1.255 178.871 177.584 0.055 0.000 1.431 498 A CA -0.016 51.968 52.037 -0.088 0.000 1.014 498 A CB -0.676 17.788 19.000 -0.893 0.000 1.143 498 A HN 1.052 nan 8.150 nan 0.000 0.532 499 A N 2.891 125.793 122.820 0.137 0.000 1.836 499 A HA -0.287 4.034 4.320 0.002 0.000 0.269 499 A C 2.172 179.789 177.584 0.056 0.000 2.597 499 A CA 2.656 54.753 52.037 0.100 0.000 0.810 499 A CB -1.549 17.509 19.000 0.097 0.000 0.833 499 A HN 1.814 nan 8.150 nan 0.000 0.542 500 G N -2.308 106.520 108.800 0.047 0.000 3.024 500 G HA2 0.191 4.152 3.960 0.002 0.000 0.202 500 G HA3 0.191 4.152 3.960 0.002 0.000 0.202 500 G C 0.824 175.807 174.900 0.139 0.000 1.195 500 G CA 1.010 46.143 45.100 0.055 0.000 0.924 500 G HN 0.596 nan 8.290 nan 0.000 0.500 501 E N -1.334 118.947 120.200 0.134 0.000 2.617 501 E HA 0.048 4.399 4.350 0.002 0.000 0.208 501 E C 1.911 178.575 176.600 0.106 0.000 0.888 501 E CA -0.441 56.122 56.400 0.272 0.000 1.485 501 E CB -0.262 29.555 29.700 0.196 0.000 1.482 501 E HN 0.274 nan 8.360 nan 0.000 0.813 502 L N 2.118 123.337 121.223 -0.006 0.000 2.081 502 L HA -0.161 4.180 4.340 0.002 0.000 0.212 502 L C 2.200 179.004 176.870 -0.110 0.000 1.080 502 L CA 1.905 56.661 54.840 -0.139 0.000 0.754 502 L CB -0.270 41.722 42.059 -0.111 0.000 0.893 502 L HN -0.070 nan 8.230 nan 0.000 0.433 503 K N -1.409 118.928 120.400 -0.106 0.000 2.155 503 K HA -0.110 4.211 4.320 0.002 0.000 0.203 503 K C 1.763 178.289 176.600 -0.123 0.000 1.052 503 K CA 1.119 57.320 56.287 -0.143 0.000 0.948 503 K CB -0.213 32.157 32.500 -0.217 0.000 0.728 503 K HN 0.461 nan 8.250 nan 0.000 0.448 504 H N -1.200 117.858 119.070 -0.019 0.000 2.574 504 H HA 0.131 4.688 4.556 0.002 0.000 0.277 504 H C 0.941 176.266 175.328 -0.005 0.000 1.058 504 H CA 1.078 57.124 56.048 -0.004 0.000 1.171 504 H CB 0.343 30.111 29.762 0.010 0.000 1.304 504 H HN 0.522 nan 8.280 nan 0.000 0.620 505 G N 0.373 109.207 108.800 0.056 0.000 3.134 505 G HA2 -0.189 3.772 3.960 0.002 0.000 0.195 505 G HA3 -0.189 3.772 3.960 0.002 0.000 0.195 505 G C -1.184 173.701 174.900 -0.024 0.000 1.054 505 G CA -0.049 45.069 45.100 0.029 0.000 0.828 505 G HN 0.270 nan 8.290 nan 0.000 0.462 506 P HA 0.132 nan 4.420 nan 0.000 0.218 506 P C 2.065 179.203 177.300 -0.269 0.000 1.152 506 P CA 0.864 63.807 63.100 -0.261 0.000 0.826 506 P CB -0.089 31.179 31.700 -0.721 0.000 0.790 507 L N 0.601 121.696 121.223 -0.214 0.000 2.263 507 L HA -0.102 4.239 4.340 0.002 0.000 0.216 507 L C 2.117 178.935 176.870 -0.087 0.000 1.111 507 L CA 1.644 56.398 54.840 -0.143 0.000 0.773 507 L CB -1.629 40.371 42.059 -0.097 0.000 0.906 507 L HN -0.075 nan 8.230 nan 0.000 0.439 508 A N -0.838 121.939 122.820 -0.071 0.000 2.204 508 A HA -0.210 4.111 4.320 0.002 0.000 0.220 508 A C 2.227 179.787 177.584 -0.039 0.000 1.165 508 A CA 1.915 53.927 52.037 -0.042 0.000 0.671 508 A CB -0.866 18.118 19.000 -0.026 0.000 0.792 508 A HN 0.549 nan 8.150 nan 0.000 0.473 509 L N -0.341 120.853 121.223 -0.048 0.000 2.640 509 L HA 0.219 4.560 4.340 0.002 0.000 0.230 509 L C -0.557 176.289 176.870 -0.041 0.000 1.123 509 L CA -0.347 54.467 54.840 -0.043 0.000 0.900 509 L CB 0.271 42.314 42.059 -0.027 0.000 1.146 509 L HN 0.118 nan 8.230 nan 0.000 0.484 510 I N 1.488 122.040 120.570 -0.030 0.000 2.260 510 I HA 0.122 4.293 4.170 0.002 0.000 0.297 510 I C 0.291 176.400 176.117 -0.014 0.000 1.143 510 I CA -0.368 60.924 61.300 -0.013 0.000 1.271 510 I CB -0.590 37.407 38.000 -0.004 0.000 1.461 510 I HN 0.170 nan 8.210 nan 0.000 0.530 511 D N 4.399 124.787 120.400 -0.020 0.000 2.624 511 D HA 0.639 5.280 4.640 0.002 0.000 0.257 511 D C 1.197 177.495 176.300 -0.004 0.000 1.167 511 D CA -0.293 53.697 54.000 -0.016 0.000 1.086 511 D CB 0.444 41.228 40.800 -0.027 0.000 1.210 511 D HN 0.208 nan 8.370 nan 0.000 0.631 512 A N -0.294 122.524 122.820 -0.003 0.000 1.862 512 A HA -0.121 4.200 4.320 0.002 0.000 0.214 512 A C 0.553 178.145 177.584 0.014 0.000 1.228 512 A CA 1.752 53.792 52.037 0.006 0.000 0.665 512 A CB -1.433 17.569 19.000 0.003 0.000 0.845 512 A HN 0.682 nan 8.150 nan 0.000 0.459 513 D N 0.475 120.882 120.400 0.013 0.000 2.380 513 D HA 0.370 5.011 4.640 0.002 0.000 0.270 513 D C -0.135 176.192 176.300 0.044 0.000 1.363 513 D CA 0.830 54.848 54.000 0.029 0.000 1.057 513 D CB 0.207 41.027 40.800 0.034 0.000 1.096 513 D HN 0.234 nan 8.370 nan 0.000 0.524 514 M N 2.995 122.626 119.600 0.051 0.000 2.505 514 M HA 0.075 4.556 4.480 0.002 0.000 0.183 514 M C -3.066 173.281 176.300 0.079 0.000 0.891 514 M CA -0.774 54.572 55.300 0.077 0.000 0.733 514 M CB 1.872 34.499 32.600 0.045 0.000 2.519 514 M HN 0.007 nan 8.290 nan 0.000 0.410 515 P HA 0.732 nan 4.420 nan 0.000 0.297 515 P C -0.933 176.457 177.300 0.150 0.000 1.307 515 P CA -0.434 62.718 63.100 0.086 0.000 0.773 515 P CB 1.358 32.954 31.700 -0.173 0.000 1.265 516 V N 0.151 120.174 119.914 0.182 0.000 2.925 516 V HA 0.125 4.246 4.120 0.002 0.000 0.252 516 V C -0.113 176.052 176.094 0.118 0.000 0.913 516 V CA -0.261 62.133 62.300 0.156 0.000 0.933 516 V CB 0.496 32.413 31.823 0.155 0.000 1.039 516 V HN 0.320 nan 8.190 nan 0.000 0.507 517 I N 3.713 124.237 120.570 -0.076 0.000 2.648 517 I HA 0.349 4.521 4.170 0.002 0.000 0.284 517 I C 0.060 176.171 176.117 -0.010 0.000 1.153 517 I CA 0.538 61.767 61.300 -0.118 0.000 1.426 517 I CB 0.981 38.481 38.000 -0.834 0.000 1.381 517 I HN 0.281 nan 8.210 nan 0.000 0.571 518 V N 6.084 126.098 119.914 0.167 0.000 2.817 518 V HA 0.328 4.450 4.120 0.002 0.000 0.303 518 V C -0.584 175.623 176.094 0.189 0.000 1.151 518 V CA -0.964 61.435 62.300 0.164 0.000 0.929 518 V CB 2.150 34.055 31.823 0.138 0.000 1.030 518 V HN 0.482 nan 8.190 nan 0.000 0.427 519 V N 1.398 121.391 119.914 0.132 0.000 2.364 519 V HA 0.958 5.079 4.120 0.002 0.000 0.272 519 V C 0.255 176.284 176.094 -0.109 0.000 1.036 519 V CA -0.342 61.991 62.300 0.055 0.000 0.880 519 V CB 1.018 32.851 31.823 0.017 0.000 0.991 519 V HN 1.220 nan 8.190 nan 0.000 0.460 520 A N 7.172 129.882 122.820 -0.184 0.000 2.340 520 A HA 0.962 5.283 4.320 0.002 0.000 0.297 520 A C -2.719 174.751 177.584 -0.192 0.000 1.195 520 A CA -1.529 50.396 52.037 -0.186 0.000 0.769 520 A CB 1.738 20.619 19.000 -0.200 0.000 1.163 520 A HN 0.713 nan 8.150 nan 0.000 0.472 521 P HA 0.321 nan 4.420 nan 0.000 0.344 521 P C 0.334 177.681 177.300 0.078 0.000 1.282 521 P CA -0.424 62.639 63.100 -0.063 0.000 0.769 521 P CB 0.636 32.209 31.700 -0.212 0.000 1.561 522 N N -1.707 117.061 118.700 0.114 0.000 2.512 522 N HA -0.122 4.619 4.740 0.002 0.000 0.183 522 N C 0.472 176.039 175.510 0.094 0.000 1.073 522 N CA 0.111 53.243 53.050 0.136 0.000 0.911 522 N CB -1.284 37.315 38.487 0.187 0.000 0.964 522 N HN 0.395 nan 8.380 nan 0.000 0.447 523 N N 1.464 120.200 118.700 0.060 0.000 1.807 523 N HA -0.199 4.542 4.740 0.002 0.000 0.325 523 N C 0.845 176.394 175.510 0.065 0.000 1.287 523 N CA 0.137 53.218 53.050 0.051 0.000 0.790 523 N CB 0.566 39.071 38.487 0.030 0.000 1.020 523 N HN 0.378 nan 8.380 nan 0.000 0.505 524 E N 4.744 124.980 120.200 0.059 0.000 2.515 524 E HA -0.161 4.190 4.350 0.002 0.000 0.201 524 E C 1.051 177.686 176.600 0.057 0.000 1.071 524 E CA 0.934 57.367 56.400 0.056 0.000 0.880 524 E CB -0.213 29.516 29.700 0.049 0.000 0.828 524 E HN 0.718 nan 8.360 nan 0.000 0.540 525 L N 0.250 121.512 121.223 0.063 0.000 2.592 525 L HA 0.084 4.425 4.340 0.002 0.000 0.227 525 L C 1.944 178.858 176.870 0.073 0.000 1.127 525 L CA -0.261 54.618 54.840 0.066 0.000 0.884 525 L CB -0.222 41.880 42.059 0.070 0.000 1.065 525 L HN 0.078 nan 8.230 nan 0.000 0.457 526 L N 0.743 122.015 121.223 0.083 0.000 2.043 526 L HA -0.238 4.103 4.340 0.002 0.000 0.212 526 L C 2.338 179.268 176.870 0.101 0.000 1.075 526 L CA 1.919 56.830 54.840 0.118 0.000 0.752 526 L CB -0.630 41.513 42.059 0.141 0.000 0.891 526 L HN 0.333 nan 8.230 nan 0.000 0.432 527 E N -0.484 119.752 120.200 0.059 0.000 2.038 527 E HA -0.299 4.052 4.350 0.002 0.000 0.195 527 E C 2.046 178.671 176.600 0.040 0.000 1.000 527 E CA 1.568 57.986 56.400 0.031 0.000 0.803 527 E CB 0.054 29.763 29.700 0.015 0.000 0.750 527 E HN 0.423 nan 8.360 nan 0.000 0.448 528 K N 0.703 121.131 120.400 0.047 0.000 2.044 528 K HA -0.203 4.118 4.320 0.002 0.000 0.210 528 K C 2.045 178.681 176.600 0.060 0.000 1.049 528 K CA 1.214 57.529 56.287 0.046 0.000 0.927 528 K CB -0.640 31.890 32.500 0.050 0.000 0.713 528 K HN 0.144 nan 8.250 nan 0.000 0.443 529 L N 1.372 122.647 121.223 0.087 0.000 2.012 529 L HA -0.173 4.168 4.340 0.002 0.000 0.210 529 L C 1.724 178.675 176.870 0.133 0.000 1.073 529 L CA 1.897 56.808 54.840 0.117 0.000 0.748 529 L CB -0.427 41.721 42.059 0.148 0.000 0.891 529 L HN 0.044 nan 8.230 nan 0.000 0.431 530 K N -0.399 120.076 120.400 0.126 0.000 2.059 530 K HA -0.232 4.089 4.320 0.002 0.000 0.212 530 K C 2.324 178.948 176.600 0.039 0.000 1.050 530 K CA 1.658 57.985 56.287 0.067 0.000 0.927 530 K CB -0.783 31.687 32.500 -0.051 0.000 0.714 530 K HN 0.551 nan 8.250 nan 0.000 0.447 531 S N 1.598 117.314 115.700 0.027 0.000 2.377 531 S HA -0.210 4.261 4.470 0.002 0.000 0.224 531 S C 1.726 176.340 174.600 0.023 0.000 1.042 531 S CA 1.840 60.048 58.200 0.013 0.000 1.086 531 S CB -0.266 62.940 63.200 0.010 0.000 0.995 531 S HN 0.299 nan 8.310 nan 0.000 0.428 532 N N 1.606 120.328 118.700 0.037 0.000 2.104 532 N HA -0.064 4.677 4.740 0.002 0.000 0.190 532 N C 1.846 177.390 175.510 0.056 0.000 1.024 532 N CA 1.738 54.812 53.050 0.039 0.000 0.853 532 N CB -0.656 37.863 38.487 0.053 0.000 1.008 532 N HN 0.578 nan 8.380 nan 0.000 0.424 533 I N 0.572 121.194 120.570 0.087 0.000 3.010 533 I HA -0.139 4.032 4.170 0.002 0.000 0.271 533 I C 1.908 178.068 176.117 0.071 0.000 1.293 533 I CA 0.842 62.208 61.300 0.110 0.000 1.452 533 I CB -0.093 38.020 38.000 0.188 0.000 1.082 533 I HN 0.004 nan 8.210 nan 0.000 0.484 534 E N 1.232 121.456 120.200 0.039 0.000 2.162 534 E HA -0.070 4.281 4.350 0.002 0.000 0.193 534 E C 1.936 178.541 176.600 0.009 0.000 0.953 534 E CA 0.634 57.043 56.400 0.015 0.000 0.849 534 E CB 0.149 29.846 29.700 -0.005 0.000 0.810 534 E HN 0.414 nan 8.360 nan 0.000 0.470 535 E N -0.000 120.203 120.200 0.006 0.000 2.153 535 E HA -0.157 4.194 4.350 0.002 0.000 0.194 535 E C 2.044 178.644 176.600 -0.000 0.000 0.988 535 E CA 1.527 57.924 56.400 -0.005 0.000 0.811 535 E CB -0.048 29.642 29.700 -0.016 0.000 0.746 535 E HN 0.244 nan 8.360 nan 0.000 0.466 536 V N -0.027 119.896 119.914 0.014 0.000 2.323 536 V HA -0.152 3.969 4.120 0.002 0.000 0.244 536 V C 2.398 178.506 176.094 0.023 0.000 1.041 536 V CA 1.595 63.908 62.300 0.021 0.000 1.025 536 V CB -0.696 31.154 31.823 0.044 0.000 0.656 536 V HN 0.055 nan 8.190 nan 0.000 0.451 537 R N 1.028 121.545 120.500 0.027 0.000 2.083 537 R HA -0.129 4.212 4.340 0.002 0.000 0.237 537 R C 2.348 178.653 176.300 0.009 0.000 1.137 537 R CA 1.784 57.897 56.100 0.022 0.000 0.951 537 R CB -0.691 29.620 30.300 0.019 0.000 0.851 537 R HN 0.555 nan 8.270 nan 0.000 0.434 538 A N 0.631 123.453 122.820 0.003 0.000 2.076 538 A HA -0.114 4.207 4.320 0.002 0.000 0.220 538 A C 1.329 178.910 177.584 -0.004 0.000 1.160 538 A CA 1.172 53.207 52.037 -0.004 0.000 0.653 538 A CB -0.117 18.878 19.000 -0.007 0.000 0.801 538 A HN 0.196 nan 8.150 nan 0.000 0.455 539 R N -1.131 119.368 120.500 -0.001 0.000 2.552 539 R HA 0.270 4.611 4.340 0.002 0.000 0.314 539 R C 0.798 177.099 176.300 0.001 0.000 1.041 539 R CA 0.376 56.474 56.100 -0.004 0.000 1.076 539 R CB -0.731 29.564 30.300 -0.008 0.000 1.290 539 R HN 0.774 nan 8.270 nan 0.000 0.563 540 G N 0.694 109.497 108.800 0.005 0.000 2.248 540 G HA2 -0.218 3.743 3.960 0.002 0.000 0.263 540 G HA3 -0.218 3.743 3.960 0.002 0.000 0.263 540 G C 0.223 175.133 174.900 0.018 0.000 1.082 540 G CA 0.064 45.169 45.100 0.008 0.000 0.863 540 G HN 0.492 nan 8.290 nan 0.000 0.495 541 G N -0.267 108.549 108.800 0.026 0.000 2.384 541 G HA2 0.584 4.545 3.960 0.002 0.000 0.316 541 G HA3 0.584 4.545 3.960 0.002 0.000 0.316 541 G C 0.221 175.156 174.900 0.059 0.000 1.160 541 G CA -0.539 44.587 45.100 0.043 0.000 0.936 541 G HN 0.544 nan 8.290 nan 0.000 0.455 542 Q N 1.362 121.205 119.800 0.072 0.000 2.274 542 Q HA 0.164 4.505 4.340 0.002 0.000 0.280 542 Q C -0.272 175.813 176.000 0.141 0.000 1.047 542 Q CA 0.518 56.376 55.803 0.091 0.000 0.907 542 Q CB 1.159 29.965 28.738 0.113 0.000 1.171 542 Q HN 0.410 nan 8.270 nan 0.000 0.381 543 L N 3.234 124.497 121.223 0.066 0.000 2.346 543 L HA 0.431 4.772 4.340 0.002 0.000 0.276 543 L C -1.074 175.764 176.870 -0.054 0.000 1.006 543 L CA -0.961 53.940 54.840 0.101 0.000 0.817 543 L CB 0.918 43.025 42.059 0.080 0.000 1.272 543 L HN 0.594 nan 8.230 nan 0.000 0.421 544 Y N 2.284 122.586 120.300 0.003 0.000 2.555 544 Y HA 0.400 4.951 4.550 0.002 0.000 0.326 544 Y C -0.239 175.585 175.900 -0.126 0.000 0.984 544 Y CA -0.828 57.228 58.100 -0.074 0.000 1.298 544 Y CB 1.605 40.049 38.460 -0.027 0.000 1.094 544 Y HN 0.135 nan 8.280 nan 0.000 0.500 545 V N 4.350 124.205 119.914 -0.097 0.000 2.347 545 V HA 0.272 4.393 4.120 0.002 0.000 0.280 545 V C -0.435 175.506 176.094 -0.254 0.000 1.021 545 V CA -0.919 61.320 62.300 -0.102 0.000 0.847 545 V CB 0.351 32.111 31.823 -0.104 0.000 0.990 545 V HN 0.430 nan 8.190 nan 0.000 0.444 546 F N 3.915 123.869 119.950 0.006 0.000 2.515 546 F HA 0.625 5.153 4.527 0.002 0.000 0.353 546 F C 0.844 176.664 175.800 0.032 0.000 1.213 546 F CA -0.142 57.897 58.000 0.064 0.000 1.194 546 F CB 0.209 39.302 39.000 0.155 0.000 1.488 546 F HN 0.551 nan 8.300 nan 0.000 0.619 547 A N 1.854 124.650 122.820 -0.040 0.000 2.355 547 A HA 0.436 4.757 4.320 0.002 0.000 0.324 547 A C -0.092 177.518 177.584 0.043 0.000 1.117 547 A CA -0.833 51.070 52.037 -0.223 0.000 0.785 547 A CB 0.833 19.158 19.000 -1.127 0.000 1.254 547 A HN 0.430 nan 8.150 nan 0.000 0.453 548 D N -0.076 120.410 120.400 0.144 0.000 2.319 548 D HA -0.024 4.617 4.640 0.002 0.000 0.235 548 D C 1.318 177.731 176.300 0.188 0.000 1.304 548 D CA 0.779 54.916 54.000 0.228 0.000 0.894 548 D CB 0.672 41.626 40.800 0.257 0.000 1.183 548 D HN 0.678 nan 8.370 nan 0.000 0.472 549 Q N -0.108 119.793 119.800 0.167 0.000 2.324 549 Q HA 0.009 4.350 4.340 0.002 0.000 0.207 549 Q C 0.774 176.830 176.000 0.093 0.000 0.928 549 Q CA 0.416 56.291 55.803 0.119 0.000 0.890 549 Q CB 0.176 28.967 28.738 0.089 0.000 1.001 549 Q HN 0.332 nan 8.270 nan 0.000 0.517 550 D N 1.742 122.189 120.400 0.078 0.000 2.392 550 D HA 0.053 4.694 4.640 0.002 0.000 0.228 550 D C 0.039 176.393 176.300 0.088 0.000 1.003 550 D CA 0.708 54.723 54.000 0.026 0.000 0.917 550 D CB 0.254 41.015 40.800 -0.065 0.000 0.890 550 D HN 0.374 nan 8.370 nan 0.000 0.532 551 A N 0.136 123.055 122.820 0.164 0.000 2.312 551 A HA 0.545 4.866 4.320 0.002 0.000 0.326 551 A C 1.131 178.847 177.584 0.220 0.000 1.172 551 A CA -0.427 51.753 52.037 0.238 0.000 0.821 551 A CB 1.279 20.524 19.000 0.410 0.000 1.166 551 A HN 0.066 nan 8.150 nan 0.000 0.493 552 G N 0.845 109.702 108.800 0.095 0.000 3.397 552 G HA2 0.371 4.332 3.960 0.002 0.000 0.248 552 G HA3 0.371 4.332 3.960 0.002 0.000 0.248 552 G C -0.431 174.413 174.900 -0.094 0.000 1.284 552 G CA -0.054 45.036 45.100 -0.017 0.000 1.570 552 G HN 0.421 nan 8.290 nan 0.000 0.587 553 F N 1.109 121.070 119.950 0.018 0.000 2.421 553 F HA 0.359 4.887 4.527 0.002 0.000 0.358 553 F C 0.572 176.369 175.800 -0.005 0.000 1.115 553 F CA -0.773 57.234 58.000 0.011 0.000 1.160 553 F CB 1.784 40.800 39.000 0.027 0.000 1.123 553 F HN 0.054 nan 8.300 nan 0.000 0.508 554 V N 1.281 121.240 119.914 0.076 0.000 2.370 554 V HA 0.540 4.661 4.120 0.002 0.000 0.283 554 V C 0.222 176.326 176.094 0.016 0.000 1.023 554 V CA -0.900 61.418 62.300 0.031 0.000 0.857 554 V CB 0.802 32.615 31.823 -0.017 0.000 0.985 554 V HN 0.646 nan 8.190 nan 0.000 0.443 555 S N 4.351 120.050 115.700 -0.001 0.000 2.550 555 S HA 0.400 4.871 4.470 0.002 0.000 0.285 555 S C 0.391 174.935 174.600 -0.094 0.000 1.326 555 S CA 0.274 58.440 58.200 -0.056 0.000 1.037 555 S CB 0.144 63.303 63.200 -0.067 0.000 0.838 555 S HN 1.270 nan 8.310 nan 0.000 0.519 556 S N 0.335 115.931 115.700 -0.172 0.000 2.558 556 S HA 0.190 4.661 4.470 0.002 0.000 0.277 556 S C 0.056 174.480 174.600 -0.294 0.000 1.143 556 S CA -1.045 57.049 58.200 -0.176 0.000 0.865 556 S CB 1.261 64.396 63.200 -0.108 0.000 1.102 556 S HN 0.766 nan 8.310 nan 0.000 0.454 557 D N 1.493 121.765 120.400 -0.213 0.000 2.421 557 D HA -0.189 4.452 4.640 0.002 0.000 0.223 557 D C 0.764 176.963 176.300 -0.169 0.000 0.979 557 D CA 1.339 55.220 54.000 -0.198 0.000 0.959 557 D CB -0.427 40.315 40.800 -0.096 0.000 0.874 557 D HN 0.726 nan 8.370 nan 0.000 0.513 558 N N -0.896 117.698 118.700 -0.176 0.000 2.036 558 N HA 0.002 4.743 4.740 0.002 0.000 0.228 558 N C 0.338 175.820 175.510 -0.047 0.000 1.368 558 N CA -0.236 52.783 53.050 -0.051 0.000 0.846 558 N CB 0.198 38.669 38.487 -0.027 0.000 1.145 558 N HN 0.166 nan 8.380 nan 0.000 0.502 559 M N 1.534 121.039 119.600 -0.158 0.000 3.053 559 M HA 0.285 4.766 4.480 0.002 0.000 0.293 559 M C -1.548 174.659 176.300 -0.156 0.000 1.470 559 M CA -0.359 54.890 55.300 -0.086 0.000 0.582 559 M CB -0.052 32.536 32.600 -0.021 0.000 1.435 559 M HN -0.086 nan 8.290 nan 0.000 0.451 560 H N 1.996 120.884 119.070 -0.303 0.000 3.257 560 H HA 0.038 4.595 4.556 0.002 0.000 0.256 560 H C -0.338 174.845 175.328 -0.242 0.000 0.885 560 H CA 0.814 56.674 56.048 -0.314 0.000 1.406 560 H CB -0.272 29.157 29.762 -0.554 0.000 1.506 560 H HN 0.419 nan 8.280 nan 0.000 0.527 561 I N 5.082 125.607 120.570 -0.076 0.000 2.336 561 I HA 0.169 4.340 4.170 0.002 0.000 0.292 561 I C 0.529 176.589 176.117 -0.095 0.000 0.991 561 I CA -0.536 60.718 61.300 -0.075 0.000 1.227 561 I CB 1.041 39.058 38.000 0.030 0.000 1.366 561 I HN 0.506 nan 8.210 nan 0.000 0.466 562 I N 5.169 125.636 120.570 -0.172 0.000 2.297 562 I HA 0.115 4.286 4.170 0.002 0.000 0.291 562 I C 0.545 176.670 176.117 0.014 0.000 1.033 562 I CA -0.560 60.679 61.300 -0.102 0.000 1.253 562 I CB 0.721 38.591 38.000 -0.218 0.000 1.396 562 I HN 0.457 nan 8.210 nan 0.000 0.476 563 E N 7.128 127.353 120.200 0.042 0.000 2.341 563 E HA 0.095 4.446 4.350 0.002 0.000 0.256 563 E C -0.565 176.103 176.600 0.113 0.000 1.125 563 E CA 0.250 56.697 56.400 0.078 0.000 0.939 563 E CB 0.268 30.007 29.700 0.065 0.000 0.991 563 E HN 0.284 nan 8.360 nan 0.000 0.458 564 M N 5.814 125.511 119.600 0.160 0.000 2.233 564 M HA 0.330 4.811 4.480 0.002 0.000 0.355 564 M C -2.027 174.393 176.300 0.200 0.000 1.191 564 M CA -2.515 52.905 55.300 0.199 0.000 1.101 564 M CB 0.812 33.584 32.600 0.286 0.000 1.592 564 M HN 0.241 nan 8.290 nan 0.000 0.461 565 P HA 0.013 nan 4.420 nan 0.000 0.270 565 P C -0.757 176.590 177.300 0.079 0.000 1.227 565 P CA 0.057 63.250 63.100 0.155 0.000 0.788 565 P CB 0.264 32.077 31.700 0.188 0.000 0.926 566 H N 0.438 119.474 119.070 -0.057 0.000 2.652 566 H HA 0.477 5.034 4.556 0.002 0.000 0.298 566 H C -0.564 174.636 175.328 -0.212 0.000 1.076 566 H CA -0.364 55.631 56.048 -0.087 0.000 1.360 566 H CB -0.191 29.551 29.762 -0.034 0.000 1.421 566 H HN 0.158 nan 8.280 nan 0.000 0.464 567 V N 1.754 121.285 119.914 -0.638 0.000 3.007 567 V HA 0.475 4.596 4.120 0.002 0.000 0.311 567 V C -0.364 175.434 176.094 -0.493 0.000 1.120 567 V CA -1.260 60.665 62.300 -0.625 0.000 0.980 567 V CB 2.012 33.263 31.823 -0.953 0.000 1.033 567 V HN 0.764 nan 8.190 nan 0.000 0.429 568 E N 1.624 121.613 120.200 -0.352 0.000 2.529 568 E HA 0.040 4.391 4.350 0.002 0.000 0.259 568 E C 0.763 177.251 176.600 -0.187 0.000 0.966 568 E CA 0.672 56.928 56.400 -0.241 0.000 0.937 568 E CB 0.836 30.429 29.700 -0.178 0.000 0.923 568 E HN 0.906 nan 8.360 nan 0.000 0.468 569 E N 2.829 122.946 120.200 -0.139 0.000 2.085 569 E HA -0.194 4.157 4.350 0.002 0.000 0.194 569 E C 1.646 178.186 176.600 -0.100 0.000 0.994 569 E CA 0.915 57.269 56.400 -0.077 0.000 0.801 569 E CB -0.135 29.538 29.700 -0.044 0.000 0.743 569 E HN 0.448 nan 8.360 nan 0.000 0.453 570 V N 1.120 120.928 119.914 -0.178 0.000 2.527 570 V HA -0.205 3.916 4.120 0.002 0.000 0.255 570 V C 1.520 177.361 176.094 -0.422 0.000 1.081 570 V CA 2.034 64.132 62.300 -0.337 0.000 1.092 570 V CB -0.469 31.160 31.823 -0.324 0.000 0.673 570 V HN 0.508 nan 8.190 nan 0.000 0.470 571 I N -3.223 117.219 120.570 -0.213 0.000 3.326 571 I HA 0.539 4.710 4.170 0.002 0.000 0.336 571 I C 1.345 177.503 176.117 0.067 0.000 1.543 571 I CA 0.262 61.505 61.300 -0.095 0.000 1.013 571 I CB -0.092 37.845 38.000 -0.106 0.000 1.468 571 I HN 0.037 nan 8.210 nan 0.000 0.515 572 A N 3.135 126.022 122.820 0.111 0.000 1.865 572 A HA 0.025 4.346 4.320 0.002 0.000 0.217 572 A C 0.112 177.939 177.584 0.406 0.000 1.191 572 A CA 1.873 54.067 52.037 0.262 0.000 0.623 572 A CB -1.766 17.324 19.000 0.150 0.000 0.826 572 A HN 0.469 nan 8.150 nan 0.000 0.444 573 P HA -0.224 nan 4.420 nan 0.000 0.211 573 P C 1.604 179.021 177.300 0.194 0.000 1.181 573 P CA 1.598 64.837 63.100 0.232 0.000 0.929 573 P CB -0.380 31.449 31.700 0.215 0.000 0.789 574 I N -1.920 118.726 120.570 0.127 0.000 2.143 574 I HA -0.297 3.874 4.170 0.002 0.000 0.245 574 I C 2.627 178.794 176.117 0.083 0.000 1.068 574 I CA 1.762 63.071 61.300 0.015 0.000 1.326 574 I CB -0.927 37.082 38.000 0.016 0.000 1.028 574 I HN -0.141 nan 8.210 nan 0.000 0.412 575 F N 1.407 121.359 119.950 0.003 0.000 2.031 575 F HA -0.260 4.268 4.527 0.002 0.000 0.295 575 F C 2.397 178.120 175.800 -0.127 0.000 1.133 575 F CA 1.658 59.602 58.000 -0.094 0.000 1.188 575 F CB -0.788 38.129 39.000 -0.139 0.000 0.974 575 F HN -0.080 nan 8.300 nan 0.000 0.473 576 Y N 0.262 120.634 120.300 0.121 0.000 2.569 576 Y HA -0.169 4.382 4.550 0.002 0.000 0.293 576 Y C 2.469 178.314 175.900 -0.092 0.000 1.144 576 Y CA 1.440 59.539 58.100 -0.001 0.000 1.321 576 Y CB -1.245 37.268 38.460 0.089 0.000 0.982 576 Y HN 0.082 nan 8.280 nan 0.000 0.558 577 T N -0.868 113.726 114.554 0.066 0.000 2.770 577 T HA -0.152 4.199 4.350 0.002 0.000 0.263 577 T C 2.177 176.846 174.700 -0.052 0.000 1.039 577 T CA 1.511 63.654 62.100 0.072 0.000 1.142 577 T CB -0.669 68.323 68.868 0.206 0.000 0.868 577 T HN 0.120 nan 8.240 nan 0.000 0.435 578 V N 3.057 122.889 119.914 -0.137 0.000 2.250 578 V HA -0.203 3.918 4.120 0.002 0.000 0.253 578 V C -0.303 175.672 176.094 -0.197 0.000 1.065 578 V CA 1.994 64.179 62.300 -0.191 0.000 1.039 578 V CB -2.137 29.504 31.823 -0.304 0.000 0.647 578 V HN 0.412 nan 8.190 nan 0.000 0.446 579 P HA -0.142 nan 4.420 nan 0.000 0.218 579 P C 1.870 179.003 177.300 -0.278 0.000 1.148 579 P CA 1.506 64.454 63.100 -0.254 0.000 0.822 579 P CB -0.070 31.417 31.700 -0.355 0.000 0.784 580 L N -0.491 120.554 121.223 -0.297 0.000 1.973 580 L HA -0.208 4.133 4.340 0.002 0.000 0.208 580 L C 2.969 179.799 176.870 -0.066 0.000 1.073 580 L CA 1.686 56.419 54.840 -0.180 0.000 0.746 580 L CB -1.634 40.380 42.059 -0.074 0.000 0.891 580 L HN -0.060 nan 8.230 nan 0.000 0.433 581 Q N 0.353 120.119 119.800 -0.056 0.000 2.065 581 Q HA -0.289 4.052 4.340 0.002 0.000 0.213 581 Q C 2.270 178.280 176.000 0.017 0.000 1.012 581 Q CA 2.121 57.904 55.803 -0.033 0.000 0.876 581 Q CB -0.764 27.949 28.738 -0.042 0.000 0.954 581 Q HN 0.479 nan 8.270 nan 0.000 0.413 582 L N 0.155 121.400 121.223 0.036 0.000 2.013 582 L HA -0.229 4.113 4.340 0.002 0.000 0.212 582 L C 2.515 179.528 176.870 0.237 0.000 1.073 582 L CA 0.943 55.889 54.840 0.177 0.000 0.753 582 L CB -0.808 41.367 42.059 0.193 0.000 0.890 582 L HN 0.255 nan 8.230 nan 0.000 0.432 583 L N 0.502 121.791 121.223 0.110 0.000 2.017 583 L HA -0.123 4.218 4.340 0.002 0.000 0.208 583 L C 2.673 179.519 176.870 -0.040 0.000 1.073 583 L CA 2.022 56.894 54.840 0.053 0.000 0.745 583 L CB -1.018 41.051 42.059 0.017 0.000 0.894 583 L HN 0.140 nan 8.230 nan 0.000 0.432 584 A N -0.805 121.991 122.820 -0.040 0.000 1.859 584 A HA -0.355 3.967 4.320 0.002 0.000 0.218 584 A C 2.369 179.892 177.584 -0.101 0.000 1.209 584 A CA 2.331 54.315 52.037 -0.088 0.000 0.639 584 A CB -1.624 17.335 19.000 -0.069 0.000 0.835 584 A HN 0.712 nan 8.150 nan 0.000 0.450 585 Y N 0.086 120.281 120.300 -0.175 0.000 2.097 585 Y HA -0.302 4.249 4.550 0.002 0.000 0.282 585 Y C 2.563 178.277 175.900 -0.310 0.000 1.152 585 Y CA 2.448 60.391 58.100 -0.263 0.000 1.136 585 Y CB -0.537 37.752 38.460 -0.284 0.000 0.975 585 Y HN 0.513 nan 8.280 nan 0.000 0.498 586 H N -1.041 118.034 119.070 0.008 0.000 2.457 586 H HA -0.139 4.418 4.556 0.002 0.000 0.297 586 H C 2.401 177.615 175.328 -0.190 0.000 1.092 586 H CA 1.646 57.640 56.048 -0.090 0.000 1.309 586 H CB -0.341 29.460 29.762 0.065 0.000 1.382 586 H HN 0.352 nan 8.280 nan 0.000 0.535 587 V N 0.791 120.619 119.914 -0.143 0.000 2.283 587 V HA -0.185 3.936 4.120 0.002 0.000 0.243 587 V C 2.832 178.792 176.094 -0.224 0.000 1.039 587 V CA 1.378 63.569 62.300 -0.181 0.000 1.016 587 V CB -0.981 30.679 31.823 -0.271 0.000 0.650 587 V HN 0.439 nan 8.190 nan 0.000 0.449 588 A N -0.151 122.476 122.820 -0.322 0.000 1.917 588 A HA -0.241 4.080 4.320 0.002 0.000 0.219 588 A C 2.236 179.616 177.584 -0.342 0.000 1.182 588 A CA 2.122 53.931 52.037 -0.380 0.000 0.633 588 A CB -0.693 18.026 19.000 -0.470 0.000 0.819 588 A HN 0.491 nan 8.150 nan 0.000 0.448 589 L N -0.773 120.211 121.223 -0.397 0.000 1.990 589 L HA -0.281 4.060 4.340 0.002 0.000 0.213 589 L C 2.510 179.286 176.870 -0.157 0.000 1.072 589 L CA 1.934 56.596 54.840 -0.297 0.000 0.755 589 L CB -0.637 41.233 42.059 -0.315 0.000 0.889 589 L HN 0.440 nan 8.230 nan 0.000 0.432 590 I N -0.455 120.045 120.570 -0.117 0.000 2.151 590 I HA -0.340 3.832 4.170 0.002 0.000 0.243 590 I C 2.423 178.499 176.117 -0.068 0.000 1.080 590 I CA 1.586 62.853 61.300 -0.055 0.000 1.339 590 I CB -0.538 37.450 38.000 -0.019 0.000 1.039 590 I HN 0.183 nan 8.210 nan 0.000 0.409 591 K N 0.691 121.025 120.400 -0.109 0.000 2.288 591 K HA 0.100 4.422 4.320 0.002 0.000 0.201 591 K C 1.405 177.950 176.600 -0.092 0.000 1.048 591 K CA 1.020 57.246 56.287 -0.101 0.000 0.956 591 K CB -0.153 32.260 32.500 -0.145 0.000 0.746 591 K HN 0.557 nan 8.250 nan 0.000 0.461 592 G N 2.524 111.251 108.800 -0.121 0.000 2.130 592 G HA2 -0.239 3.722 3.960 0.002 0.000 0.216 592 G HA3 -0.239 3.722 3.960 0.002 0.000 0.216 592 G C 0.221 175.059 174.900 -0.104 0.000 0.999 592 G CA 0.395 45.440 45.100 -0.091 0.000 0.686 592 G HN 0.447 nan 8.290 nan 0.000 0.515 593 T N -2.412 112.026 114.554 -0.194 0.000 2.927 593 T HA 0.553 4.904 4.350 0.002 0.000 0.281 593 T C -0.102 174.472 174.700 -0.211 0.000 0.998 593 T CA -0.231 61.747 62.100 -0.205 0.000 1.019 593 T CB 1.934 70.522 68.868 -0.467 0.000 1.061 593 T HN -0.087 nan 8.240 nan 0.000 0.518 594 D N 1.874 122.196 120.400 -0.130 0.000 2.541 594 D HA 0.197 4.839 4.640 0.002 0.000 0.231 594 D C 1.551 177.728 176.300 -0.204 0.000 1.163 594 D CA -0.155 53.768 54.000 -0.128 0.000 1.077 594 D CB -0.444 40.298 40.800 -0.097 0.000 1.110 594 D HN 0.437 nan 8.370 nan 0.000 0.499 595 V N 2.467 122.175 119.914 -0.343 0.000 2.230 595 V HA -0.386 3.735 4.120 0.002 0.000 0.256 595 V C 1.848 177.825 176.094 -0.195 0.000 1.064 595 V CA 2.088 64.157 62.300 -0.385 0.000 1.050 595 V CB -0.212 31.157 31.823 -0.757 0.000 0.666 595 V HN 0.506 nan 8.190 nan 0.000 0.457 596 D N -0.724 119.612 120.400 -0.108 0.000 2.084 596 D HA -0.124 4.517 4.640 0.002 0.000 0.194 596 D C 1.508 177.725 176.300 -0.138 0.000 0.990 596 D CA 1.292 55.278 54.000 -0.024 0.000 0.826 596 D CB -0.177 40.692 40.800 0.115 0.000 0.971 596 D HN 0.551 nan 8.370 nan 0.000 0.453 597 Q N 1.104 120.760 119.800 -0.241 0.000 2.560 597 Q HA 0.231 4.572 4.340 0.002 0.000 0.238 597 Q C -2.297 173.567 176.000 -0.227 0.000 1.079 597 Q CA -1.694 53.811 55.803 -0.497 0.000 0.866 597 Q CB 2.150 30.244 28.738 -1.073 0.000 1.153 597 Q HN 0.110 nan 8.270 nan 0.000 0.530 598 P HA -0.048 nan 4.420 nan 0.000 0.280 598 P C -0.641 176.784 177.300 0.209 0.000 1.278 598 P CA -0.133 63.030 63.100 0.104 0.000 0.787 598 P CB 0.624 32.376 31.700 0.088 0.000 1.163 599 R N -0.466 120.167 120.500 0.222 0.000 2.720 599 R HA 0.408 4.749 4.340 0.002 0.000 0.272 599 R C -0.037 176.224 176.300 -0.064 0.000 0.991 599 R CA -0.689 55.443 56.100 0.053 0.000 1.010 599 R CB 0.013 30.264 30.300 -0.082 0.000 1.141 599 R HN 0.469 nan 8.270 nan 0.000 0.494 600 N N -0.645 118.006 118.700 -0.081 0.000 2.708 600 N HA -0.210 4.531 4.740 0.002 0.000 0.251 600 N C -0.911 174.544 175.510 -0.092 0.000 1.123 600 N CA 0.834 53.842 53.050 -0.071 0.000 0.739 600 N CB -0.816 37.632 38.487 -0.065 0.000 1.113 600 N HN 0.476 nan 8.380 nan 0.000 0.561 601 L N -1.594 119.428 121.223 -0.335 0.000 2.223 601 L HA 0.957 5.298 4.340 0.002 0.000 0.243 601 L C -0.327 175.614 176.870 -1.548 0.000 1.105 601 L CA -0.695 53.755 54.840 -0.650 0.000 0.943 601 L CB 1.990 43.884 42.059 -0.275 0.000 1.542 601 L HN 0.090 nan 8.230 nan 0.000 0.437 602 A N -0.238 121.546 122.820 -1.726 0.000 2.457 602 A HA 0.368 4.689 4.320 0.002 0.000 0.305 602 A C -0.370 176.864 177.584 -0.584 0.000 1.110 602 A CA -0.194 51.236 52.037 -1.011 0.000 0.616 602 A CB 1.105 19.298 19.000 -1.345 0.000 1.371 602 A HN 0.570 nan 8.150 nan 0.000 0.525 603 K N 0.640 120.948 120.400 -0.153 0.000 1.974 603 K HA -0.041 4.280 4.320 0.002 0.000 0.226 603 K C 0.768 177.404 176.600 0.059 0.000 1.039 603 K CA 2.436 58.735 56.287 0.021 0.000 1.022 603 K CB -0.365 32.250 32.500 0.192 0.000 0.746 603 K HN 1.094 nan 8.250 nan 0.000 0.445 604 S N -0.815 114.980 115.700 0.160 0.000 2.536 604 S HA 0.459 4.930 4.470 0.002 0.000 0.298 604 S C -0.718 174.047 174.600 0.275 0.000 1.083 604 S CA -1.169 57.142 58.200 0.185 0.000 0.995 604 S CB 2.159 65.435 63.200 0.127 0.000 1.058 604 S HN 0.030 nan 8.310 nan 0.000 0.488 605 V N 3.261 123.306 119.914 0.217 0.000 2.313 605 V HA 0.170 4.291 4.120 0.002 0.000 0.252 605 V C 0.792 176.906 176.094 0.034 0.000 1.112 605 V CA -0.085 62.297 62.300 0.136 0.000 0.984 605 V CB -0.547 31.318 31.823 0.071 0.000 1.157 605 V HN 1.120 nan 8.190 nan 0.000 0.493 606 T N 2.384 116.946 114.554 0.013 0.000 3.100 606 T HA 0.073 4.424 4.350 0.002 0.000 0.253 606 T C 0.497 175.171 174.700 -0.043 0.000 1.118 606 T CA 0.331 62.426 62.100 -0.009 0.000 1.058 606 T CB 0.148 69.015 68.868 -0.003 0.000 0.953 606 T HN 0.491 nan 8.240 nan 0.000 0.515 607 V N 1.360 121.217 119.914 -0.095 0.000 2.326 607 V HA 0.412 4.533 4.120 0.002 0.000 0.281 607 V C 0.130 176.166 176.094 -0.097 0.000 1.015 607 V CA -1.773 60.466 62.300 -0.102 0.000 0.823 607 V CB 0.982 32.708 31.823 -0.161 0.000 1.009 607 V HN 0.287 nan 8.190 nan 0.000 0.436 608 E N 0.000 120.180 120.200 -0.034 0.000 2.725 608 E HA 0.000 4.351 4.350 0.002 0.000 0.291 608 E CA 0.000 56.405 56.400 0.009 0.000 0.976 608 E CB 0.000 29.739 29.700 0.066 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440