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 2v26_1_A DATA FIRST_RESID 5 DATA SEQUENCE KPVWAPHPTD GFQVGNIVDI GPDSLTIEPX XXXGKTFLAL INQVFPAEED DATA SEQUENCE SKKDVEDNCS LMYLNEATLL HNIKVRYSKD RIYTYVANIL IAVNPYFDIP DATA SEQUENCE KIYSSETIKS YQGKSLGTMP PHVFAIADKA FRDMKVLKLS QSIIVSGESG DATA SEQUENCE AGKTENTKFV LRYLTESYGX XXXXXDRIVE ANPLLEAFGN AKTVRNNNSS DATA SEQUENCE RFGKFVEIHF NEKSSVVGGF VSHYLLEKSR ICVQGKEERN YHIFYRLCAG DATA SEQUENCE ASEDIRERLH LSSPDNFRYL NRGCTRYFAN KETDKQILQN RKSPEYLKAG DATA SEQUENCE SLKDPLLDDH GDFIRMCTAM KKIGLDDEEK LDLFRVVAGV LHLGNIDFEE DATA SEQUENCE AGSTSGGCNL KNKSTQALEY CAELLGLDQD DLRVSLTTRV MXXXXXXXXX DATA SEQUENCE XXIKVPLKVE QANNARDALA KTVYSHLFDH VVNRVNQCFP FETSSYFIGV DATA SEQUENCE LDIAGFEYFE HNSFEQFCIN YCNEKLQQFF NERILKEEQE LYQKEGLGVN DATA SEQUENCE EVHYVDNQDC IDLIEARLVG ILDILDEENR LPQPSDQHFT SAVHQKHKDH DATA SEQUENCE FRLSIPRKSK LAIHRNIRDD EGFIIRHFAG AVCYETTQFV EKNNDALHMS DATA SEQUENCE LESLICESRD KFIRELFXXX XXXXXXXXXX XXXLSFISVG NKFKTQLNLL DATA SEQUENCE LDKLRSTGAS FIRCIKPNLK MTSHHFEGAQ ILSQLQCSGM VSVLDLMQGG DATA SEQUENCE FPSRASFHEL YNMYKKYMPD KLARLDPRLF CKALFKALGL NEIDYKFGLT DATA SEQUENCE KVFFRPGKFA EFDQIMKSDP DHLAELVKRV NHWL 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.533 176.600 -0.112 0.000 0.988 5 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 5 K CB 0.000 32.465 32.500 -0.059 0.000 1.064 6 P HA 0.076 nan 4.420 nan 0.000 0.267 6 P C -0.495 176.642 177.300 -0.272 0.000 1.200 6 P CA -0.402 62.572 63.100 -0.210 0.000 0.772 6 P CB 0.637 32.182 31.700 -0.258 0.000 0.855 7 V N -1.667 118.077 119.914 -0.284 0.000 3.141 7 V HA 0.619 4.708 4.120 -0.052 0.000 0.312 7 V C -1.214 174.708 176.094 -0.286 0.000 1.157 7 V CA -1.328 60.820 62.300 -0.254 0.000 1.041 7 V CB 1.833 33.587 31.823 -0.115 0.000 1.071 7 V HN 0.471 nan 8.190 nan 0.000 0.441 8 W N 0.894 122.220 121.300 0.044 0.000 2.391 8 W HA 0.828 5.471 4.660 -0.028 0.000 0.311 8 W C 0.200 176.903 176.519 0.307 0.000 1.087 8 W CA -0.005 57.421 57.345 0.135 0.000 1.209 8 W CB 1.817 31.254 29.460 -0.039 0.000 1.273 8 W HN 1.005 nan 8.180 nan 0.000 0.482 9 A N 4.805 128.051 122.820 0.711 0.000 2.423 9 A HA 0.825 5.114 4.320 -0.052 0.000 0.304 9 A C -2.756 175.267 177.584 0.731 0.000 1.104 9 A CA -2.060 50.386 52.037 0.681 0.000 0.757 9 A CB 1.107 20.417 19.000 0.517 0.000 1.313 9 A HN 0.342 nan 8.150 nan 0.000 0.423 10 P HA 0.130 nan 4.420 nan 0.000 0.266 10 P C -0.855 176.504 177.300 0.099 0.000 1.195 10 P CA 0.663 63.833 63.100 0.116 0.000 0.768 10 P CB 0.202 31.946 31.700 0.073 0.000 0.838 11 H N 4.545 123.553 119.070 -0.105 0.000 2.759 11 H HA 0.233 4.757 4.556 -0.053 0.000 0.354 11 H C -2.069 173.190 175.328 -0.115 0.000 1.074 11 H CA -2.232 53.752 56.048 -0.106 0.000 1.226 11 H CB 2.391 32.144 29.762 -0.015 0.000 1.648 11 H HN 0.206 nan 8.280 nan 0.000 0.529 12 P HA -0.076 nan 4.420 nan 0.000 0.223 12 P C 1.005 178.299 177.300 -0.010 0.000 1.151 12 P CA 1.263 64.270 63.100 -0.156 0.000 0.787 12 P CB 0.404 31.974 31.700 -0.216 0.000 0.788 13 T N -5.890 108.768 114.554 0.173 0.000 2.964 13 T HA 0.139 4.458 4.350 -0.052 0.000 0.249 13 T C 1.244 176.058 174.700 0.190 0.000 1.000 13 T CA 0.056 62.261 62.100 0.176 0.000 0.992 13 T CB -0.426 68.542 68.868 0.166 0.000 1.087 13 T HN -0.167 nan 8.240 nan 0.000 0.489 14 D N 1.132 121.708 120.400 0.294 0.000 2.350 14 D HA 0.291 4.900 4.640 -0.052 0.000 0.213 14 D C 1.883 178.245 176.300 0.103 0.000 1.031 14 D CA 1.113 55.169 54.000 0.094 0.000 0.861 14 D CB 0.342 41.037 40.800 -0.174 0.000 0.926 14 D HN 0.616 nan 8.370 nan 0.000 0.520 15 G N 0.387 109.220 108.800 0.055 0.000 3.909 15 G HA2 -0.285 3.644 3.960 -0.052 0.000 0.218 15 G HA3 -0.285 3.644 3.960 -0.052 0.000 0.218 15 G C 0.211 174.866 174.900 -0.408 0.000 1.404 15 G CA 0.145 45.153 45.100 -0.153 0.000 0.905 15 G HN 0.313 nan 8.290 nan 0.000 0.589 16 F N 1.707 121.730 119.950 0.123 0.000 2.588 16 F HA 0.695 5.181 4.527 -0.068 0.000 0.314 16 F C 0.217 176.219 175.800 0.337 0.000 1.069 16 F CA -0.379 57.757 58.000 0.227 0.000 0.931 16 F CB 2.163 41.223 39.000 0.100 0.000 1.260 16 F HN 0.540 nan 8.300 nan 0.000 0.465 17 Q N 0.331 120.558 119.800 0.711 0.000 2.423 17 Q HA 0.766 5.075 4.340 -0.052 0.000 0.278 17 Q C -1.800 174.507 176.000 0.511 0.000 1.097 17 Q CA -1.199 54.941 55.803 0.563 0.000 0.809 17 Q CB 2.441 31.384 28.738 0.343 0.000 1.391 17 Q HN 0.401 nan 8.270 nan 0.000 0.428 18 V N 1.078 121.083 119.914 0.152 0.000 2.614 18 V HA 0.707 4.796 4.120 -0.052 0.000 0.291 18 V C 0.520 176.595 176.094 -0.032 0.000 1.049 18 V CA 0.692 62.846 62.300 -0.244 0.000 1.038 18 V CB 0.646 32.243 31.823 -0.376 0.000 0.980 18 V HN 0.924 nan 8.190 nan 0.000 0.481 19 G N 3.553 112.304 108.800 -0.082 0.000 2.600 19 G HA2 0.523 4.452 3.960 -0.052 0.000 0.293 19 G HA3 0.523 4.452 3.960 -0.052 0.000 0.293 19 G C -1.639 173.207 174.900 -0.091 0.000 1.408 19 G CA -0.946 44.140 45.100 -0.024 0.000 0.782 19 G HN 0.606 nan 8.290 nan 0.000 0.482 20 N N -0.914 117.738 118.700 -0.080 0.000 2.314 20 N HA 0.541 5.250 4.740 -0.052 0.000 0.304 20 N C -0.508 174.938 175.510 -0.106 0.000 1.073 20 N CA -0.628 52.367 53.050 -0.092 0.000 0.822 20 N CB 2.457 40.900 38.487 -0.073 0.000 1.280 20 N HN 0.394 nan 8.380 nan 0.000 0.489 21 I N 2.142 122.649 120.570 -0.104 0.000 2.436 21 I HA 0.019 4.158 4.170 -0.052 0.000 0.289 21 I C 1.291 177.355 176.117 -0.088 0.000 1.083 21 I CA -0.238 60.997 61.300 -0.108 0.000 1.372 21 I CB 0.512 38.454 38.000 -0.097 0.000 1.408 21 I HN 0.501 nan 8.210 nan 0.000 0.516 22 V N 0.684 120.543 119.914 -0.092 0.000 3.523 22 V HA 0.372 4.461 4.120 -0.052 0.000 0.255 22 V C 0.215 176.273 176.094 -0.060 0.000 1.226 22 V CA 0.560 62.819 62.300 -0.068 0.000 1.092 22 V CB 0.253 32.039 31.823 -0.062 0.000 0.817 22 V HN 0.733 nan 8.190 nan 0.000 0.458 23 D N -1.167 119.192 120.400 -0.069 0.000 2.622 23 D HA 0.576 5.185 4.640 -0.052 0.000 0.255 23 D C -1.644 174.620 176.300 -0.060 0.000 1.246 23 D CA -0.345 53.621 54.000 -0.056 0.000 0.795 23 D CB 2.880 43.651 40.800 -0.049 0.000 1.369 23 D HN 0.249 nan 8.370 nan 0.000 0.425 24 I N 0.683 121.225 120.570 -0.047 0.000 2.582 24 I HA 0.796 4.935 4.170 -0.052 0.000 0.292 24 I C -0.410 175.687 176.117 -0.034 0.000 1.066 24 I CA -0.350 60.924 61.300 -0.044 0.000 1.053 24 I CB 1.732 39.707 38.000 -0.042 0.000 1.241 24 I HN 0.428 nan 8.210 nan 0.000 0.421 25 G N 5.221 114.002 108.800 -0.032 0.000 2.818 25 G HA2 0.518 4.447 3.960 -0.052 0.000 0.286 25 G HA3 0.518 4.447 3.960 -0.052 0.000 0.286 25 G C -2.476 172.412 174.900 -0.020 0.000 1.364 25 G CA -1.041 44.044 45.100 -0.023 0.000 0.938 25 G HN 0.410 nan 8.290 nan 0.000 0.490 26 P HA -0.081 nan 4.420 nan 0.000 0.216 26 P C 0.604 177.896 177.300 -0.013 0.000 1.157 26 P CA 1.504 64.596 63.100 -0.013 0.000 0.880 26 P CB 0.409 32.104 31.700 -0.009 0.000 0.791 27 D N -2.081 118.312 120.400 -0.011 0.000 2.469 27 D HA 0.101 4.710 4.640 -0.052 0.000 0.215 27 D C -0.328 175.966 176.300 -0.011 0.000 1.154 27 D CA -0.014 53.980 54.000 -0.009 0.000 0.832 27 D CB 0.266 41.064 40.800 -0.002 0.000 1.008 27 D HN 0.109 nan 8.370 nan 0.000 0.506 28 S N -0.936 114.753 115.700 -0.018 0.000 2.595 28 S HA 0.687 5.126 4.470 -0.052 0.000 0.281 28 S C -0.880 173.694 174.600 -0.043 0.000 1.117 28 S CA -0.908 57.278 58.200 -0.024 0.000 0.873 28 S CB 1.672 64.862 63.200 -0.017 0.000 1.108 28 S HN 0.018 nan 8.310 nan 0.000 0.477 29 L N 1.550 122.737 121.223 -0.059 0.000 2.346 29 L HA 0.547 4.856 4.340 -0.052 0.000 0.276 29 L C -0.301 176.492 176.870 -0.130 0.000 1.006 29 L CA -0.691 54.097 54.840 -0.087 0.000 0.817 29 L CB 2.302 44.305 42.059 -0.094 0.000 1.272 29 L HN 0.742 nan 8.230 nan 0.000 0.421 30 T N 4.074 118.546 114.554 -0.137 0.000 2.743 30 T HA 0.484 4.803 4.350 -0.052 0.000 0.293 30 T C -0.077 174.469 174.700 -0.257 0.000 0.945 30 T CA -0.280 61.711 62.100 -0.183 0.000 1.030 30 T CB 0.624 69.424 68.868 -0.114 0.000 0.912 30 T HN 0.151 nan 8.240 nan 0.000 0.483 31 I N 3.021 123.310 120.570 -0.470 0.000 2.378 31 I HA 0.346 4.485 4.170 -0.052 0.000 0.291 31 I C 0.482 176.360 176.117 -0.399 0.000 0.992 31 I CA -0.886 60.095 61.300 -0.533 0.000 1.154 31 I CB 1.536 38.986 38.000 -0.917 0.000 1.315 31 I HN 0.687 nan 8.210 nan 0.000 0.448 32 E N 7.963 128.063 120.200 -0.166 0.000 2.081 32 E HA 0.375 4.694 4.350 -0.052 0.000 0.281 32 E C -2.323 174.308 176.600 0.051 0.000 0.986 32 E CA -1.684 54.697 56.400 -0.032 0.000 0.796 32 E CB 1.329 31.013 29.700 -0.027 0.000 1.085 32 E HN 0.293 nan 8.360 nan 0.000 0.398 39 K N 1.876 122.303 120.400 0.044 0.000 2.185 39 K HA 0.646 4.935 4.320 -0.052 0.000 0.271 39 K C 0.018 176.666 176.600 0.081 0.000 1.013 39 K CA 0.231 56.559 56.287 0.068 0.000 0.943 39 K CB 1.569 34.121 32.500 0.088 0.000 0.998 39 K HN 0.341 nan 8.250 nan 0.000 0.468 40 T N -0.962 113.651 114.554 0.098 0.000 2.900 40 T HA 0.758 5.077 4.350 -0.052 0.000 0.303 40 T C -0.964 173.848 174.700 0.187 0.000 1.142 40 T CA -1.062 61.082 62.100 0.073 0.000 1.007 40 T CB 0.602 69.468 68.868 -0.002 0.000 1.156 40 T HN 0.450 nan 8.240 nan 0.000 0.490 41 F N 0.040 120.002 119.950 0.020 0.000 2.626 41 F HA 0.836 5.331 4.527 -0.054 0.000 0.311 41 F C -1.852 173.959 175.800 0.019 0.000 1.088 41 F CA -1.779 56.232 58.000 0.019 0.000 0.949 41 F CB 1.210 40.224 39.000 0.024 0.000 1.322 41 F HN 0.576 nan 8.300 nan 0.000 0.461 42 L N 2.635 123.935 121.223 0.128 0.000 2.325 42 L HA 0.855 5.164 4.340 -0.052 0.000 0.279 42 L C -0.077 176.860 176.870 0.112 0.000 1.054 42 L CA -0.891 53.965 54.840 0.026 0.000 0.804 42 L CB 1.521 43.604 42.059 0.040 0.000 1.200 42 L HN 0.976 nan 8.230 nan 0.000 0.436 43 A N 3.415 126.249 122.820 0.023 0.000 2.475 43 A HA 0.713 5.002 4.320 -0.052 0.000 0.301 43 A C -0.773 176.830 177.584 0.031 0.000 1.059 43 A CA -0.671 51.417 52.037 0.084 0.000 0.710 43 A CB 1.206 20.274 19.000 0.114 0.000 1.288 43 A HN 0.607 nan 8.150 nan 0.000 0.408 44 L N 2.443 123.693 121.223 0.044 0.000 2.456 44 L HA 0.114 4.423 4.340 -0.052 0.000 0.272 44 L C 1.356 178.215 176.870 -0.019 0.000 1.189 44 L CA -0.129 54.719 54.840 0.014 0.000 0.846 44 L CB 0.361 42.435 42.059 0.025 0.000 1.111 44 L HN 0.798 nan 8.230 nan 0.000 0.475 45 I N 1.900 122.447 120.570 -0.039 0.000 2.194 45 I HA -0.336 3.803 4.170 -0.052 0.000 0.246 45 I C 2.041 178.086 176.117 -0.120 0.000 1.093 45 I CA 1.584 62.842 61.300 -0.071 0.000 1.355 45 I CB -0.325 37.639 38.000 -0.059 0.000 1.046 45 I HN 0.868 nan 8.210 nan 0.000 0.413 46 N N 0.887 119.529 118.700 -0.097 0.000 2.571 46 N HA -0.173 4.536 4.740 -0.052 0.000 0.189 46 N C 1.271 176.650 175.510 -0.217 0.000 1.154 46 N CA 0.882 53.846 53.050 -0.142 0.000 0.907 46 N CB -0.361 38.097 38.487 -0.048 0.000 0.977 46 N HN 0.522 nan 8.380 nan 0.000 0.449 47 Q N -0.262 119.458 119.800 -0.133 0.000 2.282 47 Q HA 0.274 4.583 4.340 -0.052 0.000 0.206 47 Q C -0.642 175.350 176.000 -0.014 0.000 0.878 47 Q CA -0.085 55.726 55.803 0.014 0.000 0.944 47 Q CB 1.246 30.076 28.738 0.155 0.000 1.100 47 Q HN 0.133 nan 8.270 nan 0.000 0.509 48 V N 1.232 120.972 119.914 -0.291 0.000 2.417 48 V HA 0.423 4.512 4.120 -0.052 0.000 0.291 48 V C -0.709 175.123 176.094 -0.437 0.000 1.024 48 V CA -0.519 61.684 62.300 -0.161 0.000 0.861 48 V CB 0.852 32.629 31.823 -0.077 0.000 0.985 48 V HN 0.055 nan 8.190 nan 0.000 0.436 49 F N 5.301 125.284 119.950 0.054 0.000 2.546 49 F HA 0.632 5.141 4.527 -0.030 0.000 0.320 49 F C -2.144 173.622 175.800 -0.056 0.000 1.076 49 F CA -2.621 55.371 58.000 -0.014 0.000 0.928 49 F CB 2.202 41.163 39.000 -0.064 0.000 1.189 49 F HN 0.295 nan 8.300 nan 0.000 0.465 50 P HA 0.255 nan 4.420 nan 0.000 0.271 50 P C -1.178 176.044 177.300 -0.130 0.000 1.218 50 P CA -0.135 62.758 63.100 -0.345 0.000 0.780 50 P CB 1.035 32.115 31.700 -1.034 0.000 0.901 51 A N 2.133 124.858 122.820 -0.158 0.000 2.337 51 A HA 0.436 4.725 4.320 -0.052 0.000 0.331 51 A C 0.071 177.786 177.584 0.219 0.000 1.137 51 A CA -0.674 51.381 52.037 0.030 0.000 0.807 51 A CB 0.550 19.248 19.000 -0.503 0.000 1.250 51 A HN 0.448 nan 8.150 nan 0.000 0.468 52 E N 0.988 121.379 120.200 0.318 0.000 2.384 52 E HA 0.023 4.342 4.350 -0.052 0.000 0.266 52 E C 0.526 177.212 176.600 0.144 0.000 1.012 52 E CA 0.175 56.736 56.400 0.268 0.000 0.901 52 E CB 0.711 30.558 29.700 0.246 0.000 0.967 52 E HN 0.736 nan 8.360 nan 0.000 0.435 53 E N 1.068 121.345 120.200 0.128 0.000 2.110 53 E HA -0.155 4.164 4.350 -0.052 0.000 0.193 53 E C 0.272 176.899 176.600 0.045 0.000 0.988 53 E CA 0.878 57.319 56.400 0.068 0.000 0.804 53 E CB 0.230 29.968 29.700 0.064 0.000 0.745 53 E HN 0.305 nan 8.360 nan 0.000 0.458 54 D N -0.428 120.012 120.400 0.067 0.000 2.329 54 D HA 0.045 4.654 4.640 -0.052 0.000 0.232 54 D C 0.437 176.806 176.300 0.115 0.000 1.088 54 D CA -0.135 53.906 54.000 0.069 0.000 0.835 54 D CB 1.364 42.201 40.800 0.062 0.000 1.078 54 D HN -0.041 nan 8.370 nan 0.000 0.495 55 S N 3.012 118.778 115.700 0.110 0.000 2.528 55 S HA 0.059 4.498 4.470 -0.052 0.000 0.219 55 S C 1.196 175.965 174.600 0.282 0.000 0.985 55 S CA 0.226 58.551 58.200 0.209 0.000 0.914 55 S CB 0.282 63.531 63.200 0.083 0.000 0.776 55 S HN 0.404 nan 8.310 nan 0.000 0.526 56 K N 1.298 121.786 120.400 0.146 0.000 2.335 56 K HA 0.163 4.452 4.320 -0.052 0.000 0.195 56 K C 0.626 177.263 176.600 0.060 0.000 1.058 56 K CA 0.096 56.438 56.287 0.091 0.000 0.988 56 K CB 0.174 32.708 32.500 0.056 0.000 0.880 56 K HN 0.557 nan 8.250 nan 0.000 0.513 57 K N 2.097 122.539 120.400 0.069 0.000 2.234 57 K HA 0.030 4.319 4.320 -0.052 0.000 0.251 57 K C -0.546 176.082 176.600 0.046 0.000 1.011 57 K CA -0.021 56.297 56.287 0.052 0.000 0.889 57 K CB 0.313 32.848 32.500 0.057 0.000 1.011 57 K HN -0.043 nan 8.250 nan 0.000 0.505 58 D N -1.501 118.917 120.400 0.030 0.000 2.570 58 D HA 0.413 5.022 4.640 -0.052 0.000 0.244 58 D C -1.115 175.206 176.300 0.035 0.000 1.178 58 D CA -1.109 52.904 54.000 0.023 0.000 0.881 58 D CB 1.600 42.392 40.800 -0.014 0.000 1.453 58 D HN 0.483 nan 8.370 nan 0.000 0.447 59 V N -1.808 118.130 119.914 0.041 0.000 2.628 59 V HA 0.498 4.587 4.120 -0.052 0.000 0.306 59 V C 0.689 176.818 176.094 0.058 0.000 1.045 59 V CA -0.651 61.681 62.300 0.053 0.000 0.905 59 V CB 1.608 33.467 31.823 0.059 0.000 0.997 59 V HN 0.727 nan 8.190 nan 0.000 0.436 60 E N 1.087 121.334 120.200 0.079 0.000 2.152 60 E HA -0.051 4.268 4.350 -0.052 0.000 0.192 60 E C -0.062 176.635 176.600 0.161 0.000 0.983 60 E CA 1.246 57.704 56.400 0.098 0.000 0.818 60 E CB 0.270 30.048 29.700 0.129 0.000 0.758 60 E HN 0.884 nan 8.360 nan 0.000 0.467 61 D N -0.288 120.220 120.400 0.179 0.000 2.408 61 D HA 0.091 4.700 4.640 -0.052 0.000 0.243 61 D C 0.373 176.749 176.300 0.128 0.000 1.075 61 D CA -0.392 53.734 54.000 0.209 0.000 0.832 61 D CB 0.736 41.662 40.800 0.210 0.000 1.162 61 D HN -0.205 nan 8.370 nan 0.000 0.515 62 N N 2.320 121.089 118.700 0.116 0.000 2.348 62 N HA -0.134 4.575 4.740 -0.052 0.000 0.185 62 N C 1.359 176.905 175.510 0.061 0.000 1.019 62 N CA 0.626 53.721 53.050 0.075 0.000 0.880 62 N CB -0.045 38.480 38.487 0.063 0.000 0.965 62 N HN 0.490 nan 8.380 nan 0.000 0.437 63 C N 0.237 119.579 119.300 0.070 0.000 2.422 63 C HA 0.031 4.460 4.460 -0.052 0.000 0.286 63 C C 2.533 177.537 174.990 0.023 0.000 1.412 63 C CA 0.358 59.400 59.018 0.040 0.000 1.786 63 C CB -1.066 26.699 27.740 0.043 0.000 1.835 63 C HN 0.375 nan 8.230 nan 0.000 0.533 64 S N 0.310 116.034 115.700 0.040 0.000 2.558 64 S HA 0.175 4.614 4.470 -0.052 0.000 0.217 64 S C 0.637 175.243 174.600 0.010 0.000 0.975 64 S CA 0.105 58.320 58.200 0.026 0.000 0.912 64 S CB -0.156 63.072 63.200 0.046 0.000 0.776 64 S HN 0.547 nan 8.310 nan 0.000 0.526 65 L N 1.609 122.842 121.223 0.018 0.000 2.483 65 L HA 0.133 4.442 4.340 -0.052 0.000 0.276 65 L C 1.672 178.510 176.870 -0.053 0.000 1.213 65 L CA -0.022 54.826 54.840 0.014 0.000 0.843 65 L CB 0.233 42.324 42.059 0.053 0.000 1.107 65 L HN 0.238 nan 8.230 nan 0.000 0.487 66 M N 2.289 121.812 119.600 -0.129 0.000 2.117 66 M HA -0.112 4.337 4.480 -0.052 0.000 0.262 66 M C -0.474 175.528 176.300 -0.497 0.000 1.065 66 M CA 1.734 56.811 55.300 -0.372 0.000 1.114 66 M CB 0.256 32.517 32.600 -0.565 0.000 1.361 66 M HN 0.358 nan 8.290 nan 0.000 0.408 67 Y N 0.557 120.888 120.300 0.051 0.000 2.328 67 Y HA 0.461 4.977 4.550 -0.056 0.000 0.336 67 Y C -1.121 174.802 175.900 0.038 0.000 0.960 67 Y CA -1.235 56.898 58.100 0.055 0.000 1.134 67 Y CB 0.866 39.377 38.460 0.085 0.000 1.166 67 Y HN -0.056 nan 8.280 nan 0.000 0.464 68 L N 5.717 127.030 121.223 0.149 0.000 2.270 68 L HA 0.391 4.700 4.340 -0.052 0.000 0.286 68 L C -0.560 176.341 176.870 0.050 0.000 1.059 68 L CA -0.128 54.755 54.840 0.072 0.000 0.839 68 L CB -0.314 41.769 42.059 0.040 0.000 1.221 68 L HN 0.852 nan 8.230 nan 0.000 0.431 69 N N -0.509 118.170 118.700 -0.035 0.000 2.927 69 N HA 0.207 4.916 4.740 -0.052 0.000 0.248 69 N C 0.290 175.585 175.510 -0.357 0.000 1.443 69 N CA -0.625 52.310 53.050 -0.192 0.000 0.870 69 N CB 0.578 38.926 38.487 -0.232 0.000 1.444 69 N HN 0.340 nan 8.380 nan 0.000 0.519 70 E N -0.700 119.184 120.200 -0.526 0.000 2.153 70 E HA -0.163 4.156 4.350 -0.052 0.000 0.194 70 E C 1.388 177.675 176.600 -0.521 0.000 0.988 70 E CA 1.331 57.498 56.400 -0.389 0.000 0.811 70 E CB -0.278 29.291 29.700 -0.219 0.000 0.746 70 E HN 0.575 nan 8.360 nan 0.000 0.466 71 A N 1.810 124.001 122.820 -1.048 0.000 1.897 71 A HA -0.156 4.133 4.320 -0.052 0.000 0.215 71 A C 2.553 179.585 177.584 -0.920 0.000 1.181 71 A CA 2.103 53.347 52.037 -1.321 0.000 0.620 71 A CB -1.135 16.793 19.000 -1.786 0.000 0.821 71 A HN 0.489 nan 8.150 nan 0.000 0.443 72 T N -1.751 112.498 114.554 -0.509 0.000 2.904 72 T HA -0.093 4.226 4.350 -0.052 0.000 0.267 72 T C 1.779 176.417 174.700 -0.103 0.000 1.059 72 T CA 1.323 63.329 62.100 -0.157 0.000 1.137 72 T CB -0.484 68.430 68.868 0.076 0.000 0.879 72 T HN 0.213 nan 8.240 nan 0.000 0.467 73 L N 0.841 121.978 121.223 -0.143 0.000 1.994 73 L HA 0.125 4.434 4.340 -0.052 0.000 0.208 73 L C 2.340 179.169 176.870 -0.068 0.000 1.071 73 L CA 1.578 56.373 54.840 -0.076 0.000 0.745 73 L CB -1.162 40.852 42.059 -0.075 0.000 0.892 73 L HN 0.289 nan 8.230 nan 0.000 0.431 74 L N -0.785 120.371 121.223 -0.112 0.000 2.012 74 L HA -0.261 4.048 4.340 -0.052 0.000 0.210 74 L C 2.607 179.437 176.870 -0.067 0.000 1.073 74 L CA 2.352 57.175 54.840 -0.028 0.000 0.748 74 L CB -0.920 41.135 42.059 -0.005 0.000 0.891 74 L HN 0.604 nan 8.230 nan 0.000 0.431 75 H N -1.013 117.877 119.070 -0.300 0.000 2.357 75 H HA -0.156 4.367 4.556 -0.055 0.000 0.301 75 H C 2.148 177.405 175.328 -0.118 0.000 1.082 75 H CA 2.041 57.937 56.048 -0.253 0.000 1.342 75 H CB -0.105 29.506 29.762 -0.250 0.000 1.389 75 H HN 0.476 nan 8.280 nan 0.000 0.511 76 N N -0.205 118.429 118.700 -0.109 0.000 2.084 76 N HA -0.125 4.584 4.740 -0.052 0.000 0.190 76 N C 1.719 177.150 175.510 -0.132 0.000 1.030 76 N CA 1.553 54.538 53.050 -0.108 0.000 0.849 76 N CB -0.186 38.302 38.487 0.001 0.000 1.012 76 N HN 0.291 nan 8.380 nan 0.000 0.423 77 I N 1.149 121.673 120.570 -0.077 0.000 2.208 77 I HA -0.237 3.902 4.170 -0.052 0.000 0.245 77 I C 2.238 178.289 176.117 -0.110 0.000 1.097 77 I CA 1.251 62.542 61.300 -0.014 0.000 1.363 77 I CB -1.167 36.890 38.000 0.094 0.000 1.051 77 I HN 0.355 nan 8.210 nan 0.000 0.413 78 K N 0.853 121.005 120.400 -0.414 0.000 2.025 78 K HA -0.123 4.166 4.320 -0.052 0.000 0.207 78 K C 2.187 178.493 176.600 -0.490 0.000 1.049 78 K CA 1.205 56.914 56.287 -0.964 0.000 0.933 78 K CB 0.092 31.894 32.500 -1.163 0.000 0.714 78 K HN 0.083 nan 8.250 nan 0.000 0.438 79 V N 1.484 121.141 119.914 -0.428 0.000 2.295 79 V HA -0.243 3.846 4.120 -0.052 0.000 0.246 79 V C 2.387 178.399 176.094 -0.137 0.000 1.049 79 V CA 1.858 63.987 62.300 -0.285 0.000 1.024 79 V CB -0.502 31.131 31.823 -0.317 0.000 0.648 79 V HN 0.352 nan 8.190 nan 0.000 0.447 80 R N -1.259 119.181 120.500 -0.100 0.000 2.083 80 R HA -0.219 4.090 4.340 -0.052 0.000 0.237 80 R C 2.340 178.653 176.300 0.023 0.000 1.137 80 R CA 2.146 58.228 56.100 -0.031 0.000 0.951 80 R CB -0.606 29.684 30.300 -0.017 0.000 0.851 80 R HN 0.566 nan 8.270 nan 0.000 0.434 81 Y N 1.686 121.938 120.300 -0.081 0.000 2.207 81 Y HA -0.264 4.262 4.550 -0.040 0.000 0.287 81 Y C 2.592 178.521 175.900 0.048 0.000 1.156 81 Y CA 1.729 59.830 58.100 0.000 0.000 1.182 81 Y CB -0.268 38.249 38.460 0.096 0.000 0.979 81 Y HN 0.113 nan 8.280 nan 0.000 0.521 82 S N -0.756 114.967 115.700 0.039 0.000 2.447 82 S HA -0.120 4.319 4.470 -0.052 0.000 0.233 82 S C 1.407 175.985 174.600 -0.036 0.000 1.006 82 S CA 1.018 59.215 58.200 -0.005 0.000 0.957 82 S CB -0.368 62.807 63.200 -0.042 0.000 0.773 82 S HN 0.511 nan 8.310 nan 0.000 0.507 83 K N 0.901 121.280 120.400 -0.036 0.000 2.437 83 K HA 0.176 4.465 4.320 -0.052 0.000 0.205 83 K C -0.638 175.947 176.600 -0.025 0.000 1.026 83 K CA 0.183 56.452 56.287 -0.030 0.000 1.153 83 K CB 0.188 32.670 32.500 -0.030 0.000 0.863 83 K HN 0.100 nan 8.250 nan 0.000 0.502 84 D N 1.422 121.801 120.400 -0.035 0.000 2.837 84 D HA -0.177 4.432 4.640 -0.052 0.000 0.230 84 D C -0.713 175.509 176.300 -0.130 0.000 1.152 84 D CA 0.995 54.954 54.000 -0.068 0.000 0.736 84 D CB -0.917 39.917 40.800 0.056 0.000 1.084 84 D HN 0.323 nan 8.370 nan 0.000 0.429 85 R N 0.675 121.112 120.500 -0.104 0.000 2.278 85 R HA 0.379 4.688 4.340 -0.052 0.000 0.322 85 R C 1.938 178.167 176.300 -0.118 0.000 1.058 85 R CA -0.332 55.701 56.100 -0.112 0.000 0.991 85 R CB 0.363 30.630 30.300 -0.056 0.000 1.140 85 R HN 0.305 nan 8.270 nan 0.000 0.518 86 I N -1.733 118.667 120.570 -0.283 0.000 3.059 86 I HA 0.080 4.219 4.170 -0.052 0.000 0.270 86 I C -0.282 175.605 176.117 -0.383 0.000 1.238 86 I CA 0.382 61.498 61.300 -0.307 0.000 1.478 86 I CB 0.192 37.896 38.000 -0.492 0.000 1.097 86 I HN 0.254 nan 8.210 nan 0.000 0.455 87 Y N 1.691 121.895 120.300 -0.160 0.000 2.341 87 Y HA 0.608 5.121 4.550 -0.062 0.000 0.337 87 Y C -0.061 175.696 175.900 -0.238 0.000 1.014 87 Y CA -0.886 57.078 58.100 -0.227 0.000 1.111 87 Y CB 1.788 40.038 38.460 -0.350 0.000 1.194 87 Y HN -0.080 nan 8.280 nan 0.000 0.462 88 T N 2.017 116.528 114.554 -0.072 0.000 2.933 88 T HA 0.356 4.675 4.350 -0.052 0.000 0.305 88 T C -1.196 173.429 174.700 -0.125 0.000 1.092 88 T CA -1.075 60.951 62.100 -0.124 0.000 1.008 88 T CB 0.858 69.715 68.868 -0.019 0.000 1.102 88 T HN 0.352 nan 8.240 nan 0.000 0.469 89 Y N 0.481 120.818 120.300 0.061 0.000 2.307 89 Y HA 0.542 5.055 4.550 -0.061 0.000 0.324 89 Y C 0.339 176.272 175.900 0.055 0.000 1.238 89 Y CA -0.984 57.146 58.100 0.051 0.000 1.280 89 Y CB 1.104 39.588 38.460 0.039 0.000 1.248 89 Y HN 0.267 nan 8.280 nan 0.000 0.508 90 V N 3.511 123.578 119.914 0.255 0.000 2.305 90 V HA 0.478 4.567 4.120 -0.052 0.000 0.275 90 V C 0.492 176.688 176.094 0.171 0.000 1.020 90 V CA -0.166 62.238 62.300 0.173 0.000 0.811 90 V CB -0.186 31.711 31.823 0.123 0.000 1.031 90 V HN 1.137 nan 8.190 nan 0.000 0.439 91 A N 5.156 128.074 122.820 0.162 0.000 5.236 91 A HA -0.335 3.954 4.320 -0.052 0.000 0.326 91 A C 1.330 178.909 177.584 -0.009 0.000 1.825 91 A CA 2.127 54.266 52.037 0.170 0.000 0.710 91 A CB -1.452 17.674 19.000 0.211 0.000 1.383 91 A HN 1.191 nan 8.150 nan 0.000 0.386 92 N N 0.093 118.809 118.700 0.027 0.000 2.314 92 N HA 0.426 5.135 4.740 -0.052 0.000 0.200 92 N C 0.110 175.649 175.510 0.049 0.000 1.135 92 N CA 0.229 53.181 53.050 -0.164 0.000 0.835 92 N CB 0.004 38.400 38.487 -0.153 0.000 0.989 92 N HN 0.640 nan 8.380 nan 0.000 0.478 93 I N 1.315 121.984 120.570 0.165 0.000 2.392 93 I HA 0.226 4.365 4.170 -0.052 0.000 0.295 93 I C -0.671 175.612 176.117 0.277 0.000 0.985 93 I CA -1.079 60.366 61.300 0.242 0.000 1.221 93 I CB 1.753 39.901 38.000 0.247 0.000 1.366 93 I HN 0.061 nan 8.210 nan 0.000 0.467 94 L N 7.843 129.211 121.223 0.241 0.000 2.295 94 L HA 0.557 4.866 4.340 -0.052 0.000 0.285 94 L C -0.613 176.326 176.870 0.115 0.000 1.035 94 L CA -0.034 54.910 54.840 0.174 0.000 0.806 94 L CB 1.048 43.163 42.059 0.094 0.000 1.214 94 L HN 0.382 nan 8.230 nan 0.000 0.426 95 I N 4.972 125.591 120.570 0.081 0.000 2.336 95 I HA 0.588 4.727 4.170 -0.052 0.000 0.292 95 I C -0.151 176.020 176.117 0.090 0.000 0.991 95 I CA -0.497 60.840 61.300 0.062 0.000 1.227 95 I CB 1.608 39.629 38.000 0.035 0.000 1.366 95 I HN 0.757 nan 8.210 nan 0.000 0.466 96 A N 6.797 129.668 122.820 0.085 0.000 2.340 96 A HA 0.667 4.956 4.320 -0.052 0.000 0.297 96 A C -0.742 176.814 177.584 -0.047 0.000 1.195 96 A CA -0.479 51.597 52.037 0.066 0.000 0.769 96 A CB 1.006 20.143 19.000 0.229 0.000 1.163 96 A HN 0.435 nan 8.150 nan 0.000 0.472 97 V N 3.485 123.344 119.914 -0.092 0.000 2.364 97 V HA 0.165 4.254 4.120 -0.052 0.000 0.272 97 V C 0.575 176.637 176.094 -0.053 0.000 1.036 97 V CA -0.962 61.272 62.300 -0.110 0.000 0.880 97 V CB 1.052 32.767 31.823 -0.181 0.000 0.991 97 V HN 0.899 nan 8.190 nan 0.000 0.460 98 N N 8.296 126.917 118.700 -0.131 0.000 2.374 98 N HA 0.027 4.736 4.740 -0.052 0.000 0.269 98 N C -1.144 174.356 175.510 -0.017 0.000 1.310 98 N CA -1.307 51.619 53.050 -0.207 0.000 0.877 98 N CB 1.337 39.533 38.487 -0.485 0.000 1.096 98 N HN 0.359 nan 8.380 nan 0.000 0.484 99 P HA -0.067 nan 4.420 nan 0.000 0.227 99 P C -0.195 177.242 177.300 0.228 0.000 1.161 99 P CA 0.614 63.745 63.100 0.052 0.000 0.788 99 P CB 0.043 31.565 31.700 -0.297 0.000 0.822 100 Y N -1.681 118.691 120.300 0.120 0.000 4.324 100 Y HA -0.264 4.256 4.550 -0.050 0.000 0.224 100 Y C 0.434 176.479 175.900 0.241 0.000 1.113 100 Y CA 0.400 58.588 58.100 0.146 0.000 1.887 100 Y CB -2.319 36.227 38.460 0.143 0.000 1.602 100 Y HN 0.145 nan 8.280 nan 0.000 0.654 101 F N -2.739 117.266 119.950 0.091 0.000 2.713 101 F HA 0.598 5.093 4.527 -0.053 0.000 0.311 101 F C -1.154 174.677 175.800 0.051 0.000 1.141 101 F CA -1.684 56.355 58.000 0.064 0.000 0.939 101 F CB 1.063 40.083 39.000 0.033 0.000 1.325 101 F HN -0.322 nan 8.300 nan 0.000 0.453 102 D N 3.238 123.612 120.400 -0.044 0.000 2.352 102 D HA 0.309 4.918 4.640 -0.052 0.000 0.245 102 D C 0.095 176.214 176.300 -0.300 0.000 1.224 102 D CA 0.355 54.277 54.000 -0.130 0.000 0.879 102 D CB 1.314 42.152 40.800 0.064 0.000 1.057 102 D HN 0.464 nan 8.370 nan 0.000 0.491 103 I N 4.385 124.640 120.570 -0.524 0.000 2.452 103 I HA 0.081 4.220 4.170 -0.052 0.000 0.287 103 I C -1.872 174.150 176.117 -0.157 0.000 1.079 103 I CA -1.631 59.422 61.300 -0.411 0.000 1.387 103 I CB 0.401 38.106 38.000 -0.492 0.000 1.404 103 I HN -0.008 nan 8.210 nan 0.000 0.522 104 P HA 0.071 nan 4.420 nan 0.000 0.265 104 P C -0.065 177.210 177.300 -0.041 0.000 1.193 104 P CA 0.011 63.111 63.100 -0.000 0.000 0.765 104 P CB 0.430 32.154 31.700 0.039 0.000 0.823 105 K N 0.869 121.259 120.400 -0.016 0.000 3.612 105 K HA -0.221 4.068 4.320 -0.052 0.000 0.274 105 K C 1.261 177.827 176.600 -0.057 0.000 1.123 105 K CA 1.431 57.712 56.287 -0.010 0.000 1.059 105 K CB -2.086 30.414 32.500 -0.001 0.000 1.330 105 K HN 0.564 nan 8.250 nan 0.000 0.477 106 I N -2.061 118.379 120.570 -0.216 0.000 3.001 106 I HA -0.112 4.027 4.170 -0.052 0.000 0.268 106 I C 1.085 176.897 176.117 -0.508 0.000 1.267 106 I CA 1.122 62.191 61.300 -0.385 0.000 1.472 106 I CB -0.206 37.434 38.000 -0.600 0.000 1.089 106 I HN 0.172 nan 8.210 nan 0.000 0.468 107 Y N 1.571 121.885 120.300 0.024 0.000 2.660 107 Y HA 0.329 4.846 4.550 -0.055 0.000 0.254 107 Y C 1.479 177.521 175.900 0.237 0.000 1.176 107 Y CA -0.634 57.555 58.100 0.147 0.000 1.195 107 Y CB 0.023 38.455 38.460 -0.046 0.000 1.190 107 Y HN 0.162 nan 8.280 nan 0.000 0.535 108 S N -0.946 114.897 115.700 0.239 0.000 2.589 108 S HA 0.017 4.456 4.470 -0.052 0.000 0.265 108 S C 1.425 176.106 174.600 0.136 0.000 1.342 108 S CA -0.076 58.221 58.200 0.162 0.000 1.005 108 S CB 1.446 64.704 63.200 0.098 0.000 0.909 108 S HN 0.264 nan 8.310 nan 0.000 0.555 109 S N 0.457 116.197 115.700 0.067 0.000 2.399 109 S HA -0.142 4.297 4.470 -0.052 0.000 0.231 109 S C 1.774 176.371 174.600 -0.004 0.000 1.022 109 S CA 1.395 59.596 58.200 0.002 0.000 0.983 109 S CB -0.591 62.599 63.200 -0.016 0.000 0.803 109 S HN 0.884 nan 8.310 nan 0.000 0.480 110 E N 0.633 120.849 120.200 0.026 0.000 2.051 110 E HA -0.153 4.166 4.350 -0.052 0.000 0.192 110 E C 1.815 178.449 176.600 0.058 0.000 0.991 110 E CA 1.561 57.976 56.400 0.026 0.000 0.799 110 E CB -0.128 29.589 29.700 0.028 0.000 0.748 110 E HN 0.427 nan 8.360 nan 0.000 0.449 111 T N 1.334 115.957 114.554 0.114 0.000 2.708 111 T HA -0.136 4.183 4.350 -0.052 0.000 0.266 111 T C 1.917 176.782 174.700 0.276 0.000 1.037 111 T CA 1.345 63.575 62.100 0.217 0.000 1.146 111 T CB -0.231 68.790 68.868 0.255 0.000 0.865 111 T HN 0.185 nan 8.240 nan 0.000 0.435 112 I N 0.914 121.542 120.570 0.096 0.000 2.118 112 I HA -0.265 3.874 4.170 -0.052 0.000 0.241 112 I C 2.610 178.712 176.117 -0.025 0.000 1.070 112 I CA 1.549 62.752 61.300 -0.161 0.000 1.327 112 I CB -0.354 37.419 38.000 -0.379 0.000 1.034 112 I HN 0.233 nan 8.210 nan 0.000 0.405 113 K N 0.579 120.945 120.400 -0.057 0.000 2.103 113 K HA -0.183 4.106 4.320 -0.052 0.000 0.207 113 K C 2.203 178.805 176.600 0.002 0.000 1.048 113 K CA 1.922 58.169 56.287 -0.066 0.000 0.930 113 K CB -0.292 32.168 32.500 -0.067 0.000 0.716 113 K HN 0.438 nan 8.250 nan 0.000 0.444 114 S N -0.190 115.535 115.700 0.041 0.000 2.474 114 S HA -0.128 4.311 4.470 -0.052 0.000 0.235 114 S C 1.649 176.188 174.600 -0.101 0.000 0.997 114 S CA 0.687 58.870 58.200 -0.028 0.000 0.949 114 S CB -0.308 62.859 63.200 -0.056 0.000 0.766 114 S HN 0.301 nan 8.310 nan 0.000 0.517 115 Y N 1.631 121.970 120.300 0.066 0.000 2.500 115 Y HA 0.322 4.842 4.550 -0.051 0.000 0.270 115 Y C 1.126 177.120 175.900 0.158 0.000 1.134 115 Y CA -0.315 57.842 58.100 0.095 0.000 1.293 115 Y CB -0.038 38.459 38.460 0.062 0.000 1.063 115 Y HN 0.332 nan 8.280 nan 0.000 0.534 116 Q N 0.280 120.222 119.800 0.236 0.000 2.271 116 Q HA 0.234 4.543 4.340 -0.052 0.000 0.273 116 Q C 1.141 177.246 176.000 0.176 0.000 1.051 116 Q CA 0.838 56.760 55.803 0.199 0.000 0.901 116 Q CB 0.465 29.197 28.738 -0.011 0.000 1.174 116 Q HN 0.578 nan 8.270 nan 0.000 0.385 117 G N 2.383 111.330 108.800 0.245 0.000 2.155 117 G HA2 -0.253 3.676 3.960 -0.052 0.000 0.257 117 G HA3 -0.253 3.676 3.960 -0.052 0.000 0.257 117 G C -0.205 174.760 174.900 0.108 0.000 0.983 117 G CA -0.176 45.027 45.100 0.172 0.000 0.676 117 G HN 0.411 nan 8.290 nan 0.000 0.528 118 K N 1.322 121.788 120.400 0.110 0.000 2.227 118 K HA 0.493 4.782 4.320 -0.052 0.000 0.280 118 K C 0.640 177.281 176.600 0.069 0.000 1.041 118 K CA -0.293 56.029 56.287 0.058 0.000 0.905 118 K CB 1.452 33.952 32.500 0.001 0.000 1.068 118 K HN 0.183 nan 8.250 nan 0.000 0.470 119 S N 2.212 117.941 115.700 0.049 0.000 2.566 119 S HA 0.069 4.508 4.470 -0.052 0.000 0.280 119 S C 0.760 175.371 174.600 0.017 0.000 1.343 119 S CA -0.532 57.697 58.200 0.047 0.000 1.036 119 S CB 0.283 63.526 63.200 0.072 0.000 0.866 119 S HN 0.348 nan 8.310 nan 0.000 0.526 120 L N 2.089 123.263 121.223 -0.082 0.000 2.540 120 L HA 0.227 4.536 4.340 -0.052 0.000 0.276 120 L C 1.597 178.404 176.870 -0.105 0.000 1.212 120 L CA 0.741 55.431 54.840 -0.250 0.000 0.893 120 L CB -0.420 41.159 42.059 -0.800 0.000 1.138 120 L HN 1.076 nan 8.230 nan 0.000 0.491 121 G N 1.338 110.125 108.800 -0.021 0.000 2.217 121 G HA2 -0.339 3.590 3.960 -0.052 0.000 0.246 121 G HA3 -0.339 3.590 3.960 -0.052 0.000 0.246 121 G C 0.835 175.790 174.900 0.092 0.000 0.990 121 G CA 0.554 45.705 45.100 0.084 0.000 0.627 121 G HN 0.716 nan 8.290 nan 0.000 0.522 122 T N -2.286 112.306 114.554 0.064 0.000 3.100 122 T HA 0.639 4.958 4.350 -0.052 0.000 0.253 122 T C 0.936 175.633 174.700 -0.006 0.000 1.118 122 T CA 0.950 63.069 62.100 0.032 0.000 1.058 122 T CB 0.196 69.076 68.868 0.019 0.000 0.953 122 T HN 0.251 nan 8.240 nan 0.000 0.515 123 M N 1.059 120.665 119.600 0.010 0.000 2.619 123 M HA 0.559 5.008 4.480 -0.052 0.000 0.297 123 M C -2.946 173.429 176.300 0.125 0.000 1.229 123 M CA -2.807 52.452 55.300 -0.069 0.000 0.860 123 M CB 1.625 33.977 32.600 -0.413 0.000 1.741 123 M HN -0.230 nan 8.290 nan 0.000 0.462 124 P HA 0.193 nan 4.420 nan 0.000 0.268 124 P C -2.494 174.965 177.300 0.264 0.000 1.208 124 P CA -0.586 62.629 63.100 0.191 0.000 0.777 124 P CB -0.546 31.250 31.700 0.160 0.000 0.875 125 P HA 0.029 nan 4.420 nan 0.000 0.265 125 P C -0.517 176.689 177.300 -0.158 0.000 1.193 125 P CA 1.159 64.046 63.100 -0.356 0.000 0.765 125 P CB 0.250 31.526 31.700 -0.706 0.000 0.823 126 H N 0.909 119.706 119.070 -0.455 0.000 3.094 126 H HA 0.056 4.583 4.556 -0.049 0.000 0.335 126 H C 0.878 175.660 175.328 -0.909 0.000 1.254 126 H CA -0.407 55.128 56.048 -0.855 0.000 1.240 126 H CB 1.564 30.790 29.762 -0.893 0.000 1.936 126 H HN 0.110 nan 8.280 nan 0.000 0.536 127 V N 1.141 120.376 119.914 -1.131 0.000 2.469 127 V HA -0.196 3.893 4.120 -0.052 0.000 0.251 127 V C 2.048 178.027 176.094 -0.193 0.000 1.064 127 V CA 1.667 63.660 62.300 -0.511 0.000 1.066 127 V CB -1.034 30.583 31.823 -0.342 0.000 0.667 127 V HN 0.429 nan 8.190 nan 0.000 0.461 128 F N 1.928 121.670 119.950 -0.346 0.000 2.171 128 F HA 0.045 4.543 4.527 -0.048 0.000 0.300 128 F C 2.700 178.011 175.800 -0.815 0.000 1.090 128 F CA 0.903 58.351 58.000 -0.920 0.000 1.293 128 F CB -1.527 36.684 39.000 -1.314 0.000 1.013 128 F HN 0.271 nan 8.300 nan 0.000 0.486 129 A N 0.231 122.877 122.820 -0.291 0.000 1.930 129 A HA -0.107 4.182 4.320 -0.052 0.000 0.217 129 A C 2.263 179.843 177.584 -0.007 0.000 1.175 129 A CA 1.194 53.240 52.037 0.015 0.000 0.627 129 A CB -0.749 18.402 19.000 0.252 0.000 0.815 129 A HN 0.201 nan 8.150 nan 0.000 0.443 130 I N 0.054 120.608 120.570 -0.026 0.000 2.226 130 I HA -0.226 3.913 4.170 -0.052 0.000 0.245 130 I C 2.935 179.056 176.117 0.007 0.000 1.100 130 I CA 1.411 62.711 61.300 0.001 0.000 1.374 130 I CB -1.622 36.386 38.000 0.013 0.000 1.057 130 I HN 0.363 nan 8.210 nan 0.000 0.413 131 A N 0.505 123.312 122.820 -0.022 0.000 1.877 131 A HA -0.287 4.002 4.320 -0.052 0.000 0.216 131 A C 2.154 179.839 177.584 0.168 0.000 1.186 131 A CA 2.313 54.392 52.037 0.069 0.000 0.620 131 A CB -0.927 18.112 19.000 0.065 0.000 0.822 131 A HN 0.411 nan 8.150 nan 0.000 0.443 132 D N -1.070 119.386 120.400 0.093 0.000 2.144 132 D HA -0.145 4.464 4.640 -0.052 0.000 0.200 132 D C 1.974 178.400 176.300 0.211 0.000 0.978 132 D CA 1.486 55.664 54.000 0.296 0.000 0.833 132 D CB 0.010 40.977 40.800 0.278 0.000 0.961 132 D HN 0.358 nan 8.370 nan 0.000 0.470 133 K N 0.396 120.852 120.400 0.093 0.000 2.057 133 K HA -0.015 4.274 4.320 -0.052 0.000 0.207 133 K C 1.775 178.387 176.600 0.020 0.000 1.049 133 K CA 1.439 57.745 56.287 0.033 0.000 0.931 133 K CB -0.528 31.950 32.500 -0.037 0.000 0.714 133 K HN 0.093 nan 8.250 nan 0.000 0.440 134 A N 0.072 122.916 122.820 0.039 0.000 1.877 134 A HA -0.129 4.160 4.320 -0.052 0.000 0.216 134 A C 2.183 179.740 177.584 -0.045 0.000 1.186 134 A CA 1.594 53.632 52.037 0.002 0.000 0.620 134 A CB -0.968 18.055 19.000 0.038 0.000 0.822 134 A HN 0.482 nan 8.150 nan 0.000 0.443 135 F N 0.585 120.455 119.950 -0.133 0.000 2.095 135 F HA -0.187 4.308 4.527 -0.054 0.000 0.298 135 F C 2.391 178.004 175.800 -0.311 0.000 1.104 135 F CA 2.162 59.986 58.000 -0.293 0.000 1.232 135 F CB -0.310 38.534 39.000 -0.260 0.000 0.987 135 F HN 0.225 nan 8.300 nan 0.000 0.475 136 R N 0.279 120.683 120.500 -0.160 0.000 2.083 136 R HA -0.183 4.126 4.340 -0.052 0.000 0.237 136 R C 1.928 178.059 176.300 -0.282 0.000 1.137 136 R CA 2.166 58.130 56.100 -0.226 0.000 0.951 136 R CB -0.610 29.663 30.300 -0.046 0.000 0.851 136 R HN 0.252 nan 8.270 nan 0.000 0.434 137 D N 0.358 120.635 120.400 -0.205 0.000 2.144 137 D HA -0.216 4.393 4.640 -0.052 0.000 0.199 137 D C 1.832 177.937 176.300 -0.324 0.000 0.984 137 D CA 1.297 55.180 54.000 -0.196 0.000 0.834 137 D CB -0.222 40.508 40.800 -0.117 0.000 0.955 137 D HN 0.328 nan 8.370 nan 0.000 0.465 138 M N 0.484 119.824 119.600 -0.433 0.000 2.080 138 M HA -0.219 4.230 4.480 -0.052 0.000 0.260 138 M C 1.868 177.734 176.300 -0.722 0.000 1.068 138 M CA 1.576 56.516 55.300 -0.601 0.000 1.109 138 M CB 0.098 32.306 32.600 -0.653 0.000 1.342 138 M HN -0.156 nan 8.290 nan 0.000 0.405 139 K N -0.612 119.357 120.400 -0.719 0.000 2.025 139 K HA -0.122 4.167 4.320 -0.052 0.000 0.207 139 K C 1.791 178.139 176.600 -0.420 0.000 1.049 139 K CA 1.650 57.570 56.287 -0.611 0.000 0.933 139 K CB -0.164 31.937 32.500 -0.666 0.000 0.714 139 K HN 0.269 nan 8.250 nan 0.000 0.438 140 V N 1.381 121.085 119.914 -0.350 0.000 2.379 140 V HA -0.162 3.927 4.120 -0.052 0.000 0.245 140 V C 1.988 177.951 176.094 -0.218 0.000 1.044 140 V CA 1.456 63.609 62.300 -0.246 0.000 1.036 140 V CB -0.245 31.459 31.823 -0.198 0.000 0.664 140 V HN 0.258 nan 8.190 nan 0.000 0.453 141 L N -0.649 120.429 121.223 -0.243 0.000 2.567 141 L HA 0.185 4.494 4.340 -0.052 0.000 0.225 141 L C 0.661 177.381 176.870 -0.250 0.000 1.119 141 L CA 0.111 54.833 54.840 -0.197 0.000 0.871 141 L CB -0.252 41.716 42.059 -0.153 0.000 1.036 141 L HN 0.272 nan 8.230 nan 0.000 0.459 142 K N 1.078 121.226 120.400 -0.420 0.000 3.257 142 K HA -0.190 4.099 4.320 -0.052 0.000 0.270 142 K C -0.687 175.601 176.600 -0.519 0.000 0.984 142 K CA 0.396 56.317 56.287 -0.610 0.000 0.739 142 K CB -1.652 30.740 32.500 -0.179 0.000 1.351 142 K HN 0.143 nan 8.250 nan 0.000 0.463 143 L N -0.439 120.420 121.223 -0.607 0.000 2.470 143 L HA 0.329 4.638 4.340 -0.052 0.000 0.268 143 L C -0.146 176.507 176.870 -0.363 0.000 0.964 143 L CA -0.222 54.436 54.840 -0.304 0.000 0.839 143 L CB 2.308 44.251 42.059 -0.193 0.000 1.276 143 L HN 0.144 nan 8.230 nan 0.000 0.403 144 S N 3.034 118.572 115.700 -0.269 0.000 2.573 144 S HA 0.413 4.852 4.470 -0.052 0.000 0.277 144 S C -0.491 173.849 174.600 -0.433 0.000 1.346 144 S CA -0.369 57.516 58.200 -0.525 0.000 1.034 144 S CB 0.364 62.939 63.200 -1.042 0.000 0.879 144 S HN 0.582 nan 8.310 nan 0.000 0.528 145 Q N 0.995 120.544 119.800 -0.418 0.000 2.394 145 Q HA 0.534 4.843 4.340 -0.052 0.000 0.273 145 Q C -1.145 174.856 176.000 0.001 0.000 1.089 145 Q CA -0.522 55.180 55.803 -0.168 0.000 0.812 145 Q CB 2.222 30.877 28.738 -0.137 0.000 1.353 145 Q HN 0.573 nan 8.270 nan 0.000 0.438 146 S N 1.469 117.217 115.700 0.081 0.000 2.500 146 S HA 0.657 5.096 4.470 -0.052 0.000 0.301 146 S C -0.206 174.435 174.600 0.068 0.000 1.092 146 S CA -0.577 57.747 58.200 0.207 0.000 1.030 146 S CB 0.967 64.329 63.200 0.270 0.000 1.031 146 S HN 0.401 nan 8.310 nan 0.000 0.483 147 I N 3.541 124.170 120.570 0.098 0.000 2.382 147 I HA 0.355 4.494 4.170 -0.052 0.000 0.286 147 I C -0.900 175.246 176.117 0.049 0.000 1.002 147 I CA -0.575 60.738 61.300 0.022 0.000 1.135 147 I CB 1.053 39.083 38.000 0.050 0.000 1.288 147 I HN 0.381 nan 8.210 nan 0.000 0.448 148 I N 7.612 128.153 120.570 -0.048 0.000 2.304 148 I HA 0.257 4.396 4.170 -0.052 0.000 0.291 148 I C -0.001 176.189 176.117 0.121 0.000 1.018 148 I CA -0.660 60.669 61.300 0.048 0.000 1.260 148 I CB 1.305 39.332 38.000 0.045 0.000 1.390 148 I HN 0.138 nan 8.210 nan 0.000 0.475 149 V N 6.205 126.188 119.914 0.116 0.000 2.294 149 V HA 0.379 4.468 4.120 -0.052 0.000 0.272 149 V C 0.469 176.620 176.094 0.095 0.000 1.027 149 V CA -0.262 62.098 62.300 0.101 0.000 0.823 149 V CB 0.920 32.783 31.823 0.068 0.000 1.030 149 V HN 0.788 nan 8.190 nan 0.000 0.457 150 S N 2.600 118.361 115.700 0.101 0.000 2.718 150 S HA 0.996 5.435 4.470 -0.052 0.000 0.300 150 S C 0.337 174.966 174.600 0.049 0.000 1.117 150 S CA -0.108 58.141 58.200 0.081 0.000 1.002 150 S CB 1.978 65.224 63.200 0.077 0.000 1.092 150 S HN 1.369 nan 8.310 nan 0.000 0.542 151 G N 0.860 109.695 108.800 0.058 0.000 2.333 151 G HA2 0.257 4.186 3.960 -0.052 0.000 0.330 151 G HA3 0.257 4.186 3.960 -0.052 0.000 0.330 151 G C -1.251 173.689 174.900 0.068 0.000 1.465 151 G CA -0.887 44.237 45.100 0.040 0.000 0.996 151 G HN 0.791 nan 8.290 nan 0.000 0.655 152 E N -0.367 119.867 120.200 0.056 0.000 2.391 152 E HA 0.520 4.839 4.350 -0.052 0.000 0.255 152 E C 0.673 177.297 176.600 0.040 0.000 1.187 152 E CA 0.075 56.531 56.400 0.094 0.000 0.941 152 E CB 0.853 30.611 29.700 0.097 0.000 1.010 152 E HN 0.771 nan 8.360 nan 0.000 0.458 153 S N 0.249 115.960 115.700 0.018 0.000 2.575 153 S HA 0.258 4.697 4.470 -0.052 0.000 0.295 153 S C 1.056 175.661 174.600 0.007 0.000 1.267 153 S CA 0.759 58.960 58.200 0.002 0.000 1.074 153 S CB -0.754 62.426 63.200 -0.032 0.000 0.829 153 S HN 1.062 nan 8.310 nan 0.000 0.497 154 G N 3.235 112.053 108.800 0.029 0.000 2.159 154 G HA2 -0.237 3.692 3.960 -0.052 0.000 0.256 154 G HA3 -0.237 3.692 3.960 -0.052 0.000 0.256 154 G C 0.870 175.763 174.900 -0.011 0.000 0.977 154 G CA 0.383 45.516 45.100 0.055 0.000 0.652 154 G HN 1.417 nan 8.290 nan 0.000 0.531 155 A N -0.391 122.409 122.820 -0.034 0.000 2.014 155 A HA 0.519 4.808 4.320 -0.052 0.000 0.218 155 A C 2.510 180.028 177.584 -0.110 0.000 1.163 155 A CA 2.311 54.303 52.037 -0.074 0.000 0.652 155 A CB -0.290 18.685 19.000 -0.042 0.000 0.808 155 A HN 2.466 nan 8.150 nan 0.000 0.449 156 G N -1.256 107.492 108.800 -0.087 0.000 2.151 156 G HA2 -0.150 3.779 3.960 -0.052 0.000 0.140 156 G HA3 -0.150 3.779 3.960 -0.052 0.000 0.140 156 G C 0.713 175.579 174.900 -0.058 0.000 1.020 156 G CA 0.418 45.464 45.100 -0.090 0.000 0.688 156 G HN 0.408 nan 8.290 nan 0.000 0.500 157 K N -0.163 120.213 120.400 -0.040 0.000 2.026 157 K HA -0.053 4.236 4.320 -0.052 0.000 0.208 157 K C 2.520 179.080 176.600 -0.066 0.000 1.048 157 K CA 1.865 58.136 56.287 -0.026 0.000 0.929 157 K CB -0.265 32.233 32.500 -0.004 0.000 0.713 157 K HN 0.278 nan 8.250 nan 0.000 0.439 158 T N 1.449 115.953 114.554 -0.084 0.000 2.777 158 T HA -0.100 4.219 4.350 -0.052 0.000 0.266 158 T C 1.643 176.210 174.700 -0.222 0.000 1.040 158 T CA 1.128 63.161 62.100 -0.112 0.000 1.141 158 T CB -0.098 68.727 68.868 -0.073 0.000 0.868 158 T HN 0.177 nan 8.240 nan 0.000 0.444 159 E N 1.617 121.648 120.200 -0.283 0.000 2.058 159 E HA -0.092 4.227 4.350 -0.052 0.000 0.194 159 E C 2.223 178.228 176.600 -0.992 0.000 0.997 159 E CA 0.897 56.939 56.400 -0.598 0.000 0.801 159 E CB -0.498 28.950 29.700 -0.420 0.000 0.746 159 E HN 0.476 nan 8.360 nan 0.000 0.450 160 N N 0.181 118.629 118.700 -0.419 0.000 2.244 160 N HA -0.077 4.632 4.740 -0.052 0.000 0.183 160 N C 1.777 177.222 175.510 -0.107 0.000 1.016 160 N CA 1.200 54.174 53.050 -0.127 0.000 0.866 160 N CB -0.197 38.360 38.487 0.117 0.000 0.980 160 N HN 0.151 nan 8.380 nan 0.000 0.430 161 T N 1.762 116.238 114.554 -0.130 0.000 2.684 161 T HA -0.103 4.216 4.350 -0.052 0.000 0.267 161 T C 1.890 176.534 174.700 -0.094 0.000 1.036 161 T CA 1.151 63.211 62.100 -0.068 0.000 1.148 161 T CB -0.035 68.801 68.868 -0.053 0.000 0.863 161 T HN 0.290 nan 8.240 nan 0.000 0.436 162 K N 0.231 120.491 120.400 -0.234 0.000 2.097 162 K HA -0.030 4.259 4.320 -0.052 0.000 0.206 162 K C 2.049 178.600 176.600 -0.082 0.000 1.049 162 K CA 1.316 57.478 56.287 -0.208 0.000 0.933 162 K CB -0.350 31.964 32.500 -0.311 0.000 0.717 162 K HN 0.424 nan 8.250 nan 0.000 0.442 163 F N 0.472 120.426 119.950 0.006 0.000 2.134 163 F HA -0.222 4.271 4.527 -0.057 0.000 0.299 163 F C 2.384 178.350 175.800 0.278 0.000 1.097 163 F CA 0.369 58.445 58.000 0.126 0.000 1.264 163 F CB -0.489 38.518 39.000 0.011 0.000 1.001 163 F HN -0.214 nan 8.300 nan 0.000 0.479 164 V N 0.880 120.998 119.914 0.341 0.000 2.295 164 V HA -0.299 3.790 4.120 -0.052 0.000 0.246 164 V C 2.295 178.526 176.094 0.228 0.000 1.049 164 V CA 1.699 64.166 62.300 0.279 0.000 1.024 164 V CB -0.665 31.256 31.823 0.164 0.000 0.648 164 V HN 0.331 nan 8.190 nan 0.000 0.447 165 L N -0.516 120.785 121.223 0.130 0.000 2.046 165 L HA -0.185 4.124 4.340 -0.052 0.000 0.208 165 L C 2.715 179.615 176.870 0.049 0.000 1.077 165 L CA 1.857 56.732 54.840 0.058 0.000 0.747 165 L CB -0.636 41.419 42.059 -0.006 0.000 0.896 165 L HN 0.255 nan 8.230 nan 0.000 0.432 166 R N -0.602 119.955 120.500 0.096 0.000 2.073 166 R HA -0.243 4.066 4.340 -0.052 0.000 0.234 166 R C 2.504 178.794 176.300 -0.017 0.000 1.134 166 R CA 1.743 57.879 56.100 0.061 0.000 0.952 166 R CB -0.473 29.917 30.300 0.149 0.000 0.850 166 R HN 0.254 nan 8.270 nan 0.000 0.433 167 Y N 1.079 121.326 120.300 -0.088 0.000 2.128 167 Y HA -0.232 4.290 4.550 -0.047 0.000 0.284 167 Y C 1.854 177.615 175.900 -0.233 0.000 1.154 167 Y CA 1.932 59.844 58.100 -0.314 0.000 1.149 167 Y CB -0.248 38.025 38.460 -0.312 0.000 0.976 167 Y HN 0.050 nan 8.280 nan 0.000 0.505 168 L N -0.626 120.584 121.223 -0.021 0.000 2.056 168 L HA -0.180 4.129 4.340 -0.052 0.000 0.207 168 L C 2.612 179.407 176.870 -0.126 0.000 1.078 168 L CA 1.829 56.673 54.840 0.006 0.000 0.749 168 L CB -0.973 41.235 42.059 0.249 0.000 0.901 168 L HN 0.388 nan 8.230 nan 0.000 0.433 169 T N -3.509 110.962 114.554 -0.138 0.000 2.904 169 T HA -0.199 4.120 4.350 -0.052 0.000 0.267 169 T C 1.662 176.231 174.700 -0.219 0.000 1.059 169 T CA 1.145 63.147 62.100 -0.165 0.000 1.137 169 T CB -0.144 68.638 68.868 -0.144 0.000 0.879 169 T HN 0.329 nan 8.240 nan 0.000 0.467 170 E N 0.949 120.979 120.200 -0.284 0.000 2.107 170 E HA -0.064 4.255 4.350 -0.052 0.000 0.191 170 E C 2.189 178.513 176.600 -0.460 0.000 0.982 170 E CA 1.033 57.242 56.400 -0.318 0.000 0.809 170 E CB -0.052 29.467 29.700 -0.301 0.000 0.756 170 E HN 0.545 nan 8.360 nan 0.000 0.459 171 S N -0.754 114.500 115.700 -0.743 0.000 2.377 171 S HA -0.035 4.404 4.470 -0.052 0.000 0.223 171 S C 0.760 174.744 174.600 -1.025 0.000 1.030 171 S CA 0.734 58.263 58.200 -1.119 0.000 0.970 171 S CB -0.000 62.054 63.200 -1.910 0.000 0.830 171 S HN 0.391 nan 8.310 nan 0.000 0.473 172 Y N 0.827 120.937 120.300 -0.317 0.000 2.641 172 Y HA 0.434 4.952 4.550 -0.053 0.000 0.248 172 Y C 1.229 177.075 175.900 -0.091 0.000 1.170 172 Y CA -0.810 57.173 58.100 -0.195 0.000 1.201 172 Y CB 0.318 38.621 38.460 -0.261 0.000 1.232 172 Y HN 0.215 nan 8.280 nan 0.000 0.537 181 R N 0.754 121.277 120.500 0.039 0.000 2.148 181 R HA 0.110 4.419 4.340 -0.052 0.000 0.227 181 R C 2.009 178.426 176.300 0.195 0.000 1.103 181 R CA 1.080 57.257 56.100 0.128 0.000 0.983 181 R CB -0.099 30.320 30.300 0.199 0.000 0.874 181 R HN 0.357 nan 8.270 nan 0.000 0.451 182 I N 0.185 120.757 120.570 0.005 0.000 2.208 182 I HA -0.280 3.859 4.170 -0.052 0.000 0.245 182 I C 2.191 178.281 176.117 -0.045 0.000 1.097 182 I CA 1.222 62.390 61.300 -0.220 0.000 1.363 182 I CB -0.173 37.512 38.000 -0.525 0.000 1.051 182 I HN -0.045 nan 8.210 nan 0.000 0.413 183 V N 0.159 120.053 119.914 -0.033 0.000 2.323 183 V HA -0.197 3.892 4.120 -0.052 0.000 0.244 183 V C 2.396 178.505 176.094 0.026 0.000 1.041 183 V CA 1.601 63.898 62.300 -0.005 0.000 1.025 183 V CB -0.574 31.245 31.823 -0.008 0.000 0.656 183 V HN 0.370 nan 8.190 nan 0.000 0.451 184 E N 0.370 120.591 120.200 0.036 0.000 2.268 184 E HA -0.096 4.223 4.350 -0.052 0.000 0.195 184 E C 2.201 178.828 176.600 0.045 0.000 0.995 184 E CA 1.232 57.653 56.400 0.035 0.000 0.836 184 E CB -0.270 29.447 29.700 0.027 0.000 0.763 184 E HN 0.573 nan 8.360 nan 0.000 0.491 185 A N 0.957 123.824 122.820 0.078 0.000 2.167 185 A HA -0.118 4.171 4.320 -0.052 0.000 0.214 185 A C 1.903 179.528 177.584 0.069 0.000 1.151 185 A CA 0.975 53.055 52.037 0.071 0.000 0.735 185 A CB -0.539 18.541 19.000 0.133 0.000 0.802 185 A HN 0.167 nan 8.150 nan 0.000 0.467 186 N N 0.509 119.253 118.700 0.073 0.000 2.069 186 N HA -0.103 4.606 4.740 -0.052 0.000 0.191 186 N C -1.136 174.438 175.510 0.107 0.000 1.031 186 N CA 1.834 54.936 53.050 0.087 0.000 0.852 186 N CB -0.586 37.937 38.487 0.060 0.000 1.018 186 N HN 0.254 nan 8.380 nan 0.000 0.423 187 P HA -0.138 nan 4.420 nan 0.000 0.217 187 P C 1.294 178.675 177.300 0.135 0.000 1.148 187 P CA 0.722 63.878 63.100 0.093 0.000 0.828 187 P CB 0.050 31.781 31.700 0.052 0.000 0.783 188 L N -1.115 120.185 121.223 0.128 0.000 2.044 188 L HA -0.090 4.219 4.340 -0.052 0.000 0.205 188 L C 2.185 179.221 176.870 0.276 0.000 1.075 188 L CA 1.708 56.662 54.840 0.190 0.000 0.747 188 L CB -1.341 40.764 42.059 0.077 0.000 0.903 188 L HN -0.118 nan 8.230 nan 0.000 0.435 189 L N -0.735 120.598 121.223 0.183 0.000 2.017 189 L HA -0.207 4.102 4.340 -0.052 0.000 0.208 189 L C 2.510 179.592 176.870 0.354 0.000 1.073 189 L CA 1.526 56.496 54.840 0.217 0.000 0.745 189 L CB -0.697 41.487 42.059 0.209 0.000 0.894 189 L HN 0.349 nan 8.230 nan 0.000 0.432 190 E N 0.223 120.622 120.200 0.332 0.000 2.153 190 E HA -0.198 4.121 4.350 -0.052 0.000 0.194 190 E C 2.290 179.104 176.600 0.356 0.000 0.988 190 E CA 1.052 57.669 56.400 0.362 0.000 0.811 190 E CB -0.122 29.752 29.700 0.291 0.000 0.746 190 E HN 0.501 nan 8.360 nan 0.000 0.466 191 A N 0.671 123.660 122.820 0.280 0.000 1.902 191 A HA -0.151 4.138 4.320 -0.052 0.000 0.217 191 A C 1.751 179.340 177.584 0.009 0.000 1.181 191 A CA 1.231 53.357 52.037 0.149 0.000 0.623 191 A CB -0.514 18.486 19.000 -0.001 0.000 0.818 191 A HN 0.177 nan 8.150 nan 0.000 0.443 192 F N -1.212 118.825 119.950 0.144 0.000 2.619 192 F HA 0.248 4.744 4.527 -0.052 0.000 0.293 192 F C 2.229 177.813 175.800 -0.359 0.000 1.119 192 F CA 0.792 58.806 58.000 0.024 0.000 1.445 192 F CB 0.257 39.298 39.000 0.068 0.000 1.119 192 F HN 0.295 nan 8.300 nan 0.000 0.573 193 G N -1.242 107.514 108.800 -0.073 0.000 3.228 193 G HA2 0.130 4.059 3.960 -0.052 0.000 0.245 193 G HA3 0.130 4.059 3.960 -0.052 0.000 0.245 193 G C 0.149 175.296 174.900 0.411 0.000 1.051 193 G CA -0.220 44.697 45.100 -0.306 0.000 0.809 193 G HN 0.105 nan 8.290 nan 0.000 0.531 194 N N 0.244 119.172 118.700 0.380 0.000 2.384 194 N HA 0.682 5.391 4.740 -0.052 0.000 0.301 194 N C -0.986 174.363 175.510 -0.267 0.000 1.133 194 N CA -0.235 52.926 53.050 0.185 0.000 0.853 194 N CB 2.248 40.865 38.487 0.217 0.000 1.241 194 N HN 0.167 nan 8.380 nan 0.000 0.502 195 A N 0.902 123.535 122.820 -0.312 0.000 2.606 195 A HA 0.287 4.576 4.320 -0.052 0.000 0.293 195 A C -1.019 176.528 177.584 -0.061 0.000 1.082 195 A CA -0.734 51.077 52.037 -0.378 0.000 0.685 195 A CB 1.402 20.187 19.000 -0.359 0.000 1.284 195 A HN 0.602 nan 8.150 nan 0.000 0.408 196 K N 1.486 121.941 120.400 0.090 0.000 2.378 196 K HA 0.356 4.645 4.320 -0.052 0.000 0.288 196 K C 0.167 176.803 176.600 0.061 0.000 1.057 196 K CA 0.748 57.141 56.287 0.176 0.000 0.971 196 K CB 0.097 32.757 32.500 0.268 0.000 0.975 196 K HN 0.887 nan 8.250 nan 0.000 0.475 197 T N -0.392 114.216 114.554 0.090 0.000 2.938 197 T HA 0.187 4.506 4.350 -0.052 0.000 0.285 197 T C 1.283 176.063 174.700 0.133 0.000 1.028 197 T CA -0.478 61.670 62.100 0.080 0.000 1.005 197 T CB 1.388 70.342 68.868 0.143 0.000 1.157 197 T HN 0.354 nan 8.240 nan 0.000 0.550 198 V N -0.509 119.509 119.914 0.174 0.000 2.913 198 V HA 0.078 4.167 4.120 -0.052 0.000 0.260 198 V C 2.020 178.204 176.094 0.150 0.000 1.098 198 V CA 0.687 63.087 62.300 0.167 0.000 1.121 198 V CB -1.061 30.869 31.823 0.179 0.000 0.714 198 V HN 0.714 nan 8.190 nan 0.000 0.487 199 R N 0.881 121.492 120.500 0.185 0.000 2.223 199 R HA 0.308 4.617 4.340 -0.052 0.000 0.198 199 R C 0.406 176.762 176.300 0.095 0.000 0.984 199 R CA 0.422 56.564 56.100 0.070 0.000 1.018 199 R CB -0.624 29.661 30.300 -0.025 0.000 0.945 199 R HN 0.650 nan 8.270 nan 0.000 0.479 200 N N 0.474 119.251 118.700 0.128 0.000 2.578 200 N HA 0.088 4.797 4.740 -0.052 0.000 0.282 200 N C -0.232 175.367 175.510 0.149 0.000 1.119 200 N CA -0.226 52.905 53.050 0.136 0.000 0.948 200 N CB 0.783 39.340 38.487 0.116 0.000 1.546 200 N HN -0.269 nan 8.380 nan 0.000 0.525 201 N N 1.551 120.344 118.700 0.154 0.000 2.272 201 N HA -0.126 4.583 4.740 -0.052 0.000 0.185 201 N C 0.096 175.696 175.510 0.150 0.000 1.014 201 N CA 0.998 54.155 53.050 0.178 0.000 0.870 201 N CB 0.013 38.542 38.487 0.070 0.000 0.975 201 N HN 0.542 nan 8.380 nan 0.000 0.433 202 N N 0.049 118.826 118.700 0.129 0.000 2.535 202 N HA 0.047 4.756 4.740 -0.052 0.000 0.294 202 N C -1.190 174.419 175.510 0.164 0.000 1.408 202 N CA -0.114 53.063 53.050 0.212 0.000 0.927 202 N CB 0.158 38.715 38.487 0.116 0.000 1.276 202 N HN -0.156 nan 8.380 nan 0.000 0.505 203 S N -0.129 115.649 115.700 0.131 0.000 2.537 203 S HA 0.136 4.575 4.470 -0.052 0.000 0.286 203 S C 0.004 174.670 174.600 0.110 0.000 1.299 203 S CA -0.217 58.044 58.200 0.103 0.000 1.067 203 S CB 0.069 63.329 63.200 0.100 0.000 0.864 203 S HN 0.351 nan 8.310 nan 0.000 0.494 204 S N 5.317 121.069 115.700 0.086 0.000 2.488 204 S HA 0.245 4.684 4.470 -0.052 0.000 0.278 204 S C 0.593 175.270 174.600 0.128 0.000 1.259 204 S CA -0.678 57.565 58.200 0.071 0.000 1.061 204 S CB 0.393 63.519 63.200 -0.124 0.000 0.910 204 S HN 0.587 nan 8.310 nan 0.000 0.491 205 R N 2.312 122.994 120.500 0.304 0.000 2.609 205 R HA 0.297 4.606 4.340 -0.052 0.000 0.326 205 R C -0.401 176.156 176.300 0.428 0.000 1.090 205 R CA -0.147 56.154 56.100 0.336 0.000 1.072 205 R CB -1.008 29.523 30.300 0.384 0.000 1.330 205 R HN 0.708 nan 8.270 nan 0.000 0.572 206 F N -3.688 116.361 119.950 0.165 0.000 2.686 206 F HA 0.790 5.288 4.527 -0.047 0.000 0.311 206 F C -0.231 175.707 175.800 0.231 0.000 1.128 206 F CA -1.650 56.468 58.000 0.197 0.000 0.946 206 F CB 0.898 40.030 39.000 0.221 0.000 1.336 206 F HN -0.102 nan 8.300 nan 0.000 0.457 207 G N 1.034 109.951 108.800 0.196 0.000 2.434 207 G HA2 0.647 4.576 3.960 -0.052 0.000 0.330 207 G HA3 0.647 4.576 3.960 -0.052 0.000 0.330 207 G C -1.886 173.198 174.900 0.307 0.000 1.155 207 G CA -1.078 44.088 45.100 0.110 0.000 0.917 207 G HN 1.021 nan 8.290 nan 0.000 0.493 208 K N -0.487 120.053 120.400 0.233 0.000 2.527 208 K HA 0.635 4.924 4.320 -0.052 0.000 0.260 208 K C -2.204 174.647 176.600 0.418 0.000 0.937 208 K CA -0.980 55.533 56.287 0.377 0.000 0.826 208 K CB 2.385 35.065 32.500 0.300 0.000 1.359 208 K HN 0.288 nan 8.250 nan 0.000 0.434 209 F N 2.586 122.708 119.950 0.288 0.000 2.445 209 F HA 0.370 4.864 4.527 -0.055 0.000 0.348 209 F C -1.385 174.517 175.800 0.171 0.000 1.125 209 F CA -0.942 57.184 58.000 0.210 0.000 0.983 209 F CB 1.575 40.727 39.000 0.252 0.000 1.198 209 F HN 0.302 nan 8.300 nan 0.000 0.436 210 V N 5.880 125.669 119.914 -0.208 0.000 2.350 210 V HA 0.312 4.401 4.120 -0.052 0.000 0.276 210 V C -0.328 175.562 176.094 -0.339 0.000 1.028 210 V CA -0.671 61.523 62.300 -0.177 0.000 0.860 210 V CB 1.119 32.890 31.823 -0.086 0.000 0.990 210 V HN 0.623 nan 8.190 nan 0.000 0.453 211 E N 5.060 125.137 120.200 -0.204 0.000 2.174 211 E HA 0.458 4.777 4.350 -0.052 0.000 0.282 211 E C -0.887 175.714 176.600 0.001 0.000 0.992 211 E CA -0.640 55.669 56.400 -0.152 0.000 0.803 211 E CB 1.660 31.272 29.700 -0.148 0.000 1.090 211 E HN 0.431 nan 8.360 nan 0.000 0.396 212 I N 3.818 124.375 120.570 -0.022 0.000 2.312 212 I HA 0.181 4.320 4.170 -0.052 0.000 0.290 212 I C 0.249 176.270 176.117 -0.161 0.000 1.008 212 I CA -0.347 60.884 61.300 -0.115 0.000 1.226 212 I CB 0.333 38.271 38.000 -0.103 0.000 1.371 212 I HN 0.466 nan 8.210 nan 0.000 0.468 213 H N 6.137 124.966 119.070 -0.402 0.000 2.467 213 H HA 0.481 5.007 4.556 -0.051 0.000 0.331 213 H C -1.055 173.964 175.328 -0.516 0.000 1.120 213 H CA -0.189 55.623 56.048 -0.392 0.000 1.270 213 H CB 1.845 31.028 29.762 -0.964 0.000 1.466 213 H HN 0.297 nan 8.280 nan 0.000 0.504 214 F N 1.537 121.476 119.950 -0.020 0.000 2.561 214 F HA 0.118 4.614 4.527 -0.052 0.000 0.321 214 F C 0.734 176.544 175.800 0.017 0.000 1.065 214 F CA -1.007 57.009 58.000 0.027 0.000 0.934 214 F CB 1.244 40.298 39.000 0.089 0.000 1.215 214 F HN 0.597 nan 8.300 nan 0.000 0.471 215 N N 0.418 119.242 118.700 0.207 0.000 2.431 215 N HA 0.099 4.808 4.740 -0.052 0.000 0.289 215 N C 0.775 176.364 175.510 0.132 0.000 1.277 215 N CA -0.394 52.730 53.050 0.124 0.000 0.972 215 N CB 0.055 38.593 38.487 0.086 0.000 1.143 215 N HN 0.611 nan 8.380 nan 0.000 0.578 216 E N -0.129 120.116 120.200 0.075 0.000 2.204 216 E HA -0.185 4.134 4.350 -0.052 0.000 0.194 216 E C 0.422 177.066 176.600 0.073 0.000 0.989 216 E CA 1.287 57.727 56.400 0.068 0.000 0.824 216 E CB -0.401 29.319 29.700 0.034 0.000 0.756 216 E HN 0.655 nan 8.360 nan 0.000 0.477 217 K N 0.721 121.170 120.400 0.082 0.000 2.444 217 K HA 0.116 4.405 4.320 -0.052 0.000 0.193 217 K C -0.106 176.562 176.600 0.114 0.000 1.024 217 K CA 0.410 56.745 56.287 0.079 0.000 1.077 217 K CB 0.144 32.691 32.500 0.078 0.000 0.833 217 K HN -0.028 nan 8.250 nan 0.000 0.517 218 S N 0.722 116.513 115.700 0.151 0.000 3.749 218 S HA -0.140 4.299 4.470 -0.052 0.000 0.348 218 S C -0.168 174.733 174.600 0.500 0.000 1.045 218 S CA 0.661 58.995 58.200 0.222 0.000 1.051 218 S CB -1.328 61.815 63.200 -0.094 0.000 0.898 218 S HN 0.420 nan 8.310 nan 0.000 0.472 219 S N 0.253 116.199 115.700 0.410 0.000 2.501 219 S HA 0.626 5.065 4.470 -0.052 0.000 0.301 219 S C 0.351 175.040 174.600 0.148 0.000 1.096 219 S CA -0.612 57.777 58.200 0.314 0.000 1.063 219 S CB 1.248 64.547 63.200 0.165 0.000 1.042 219 S HN 0.352 nan 8.310 nan 0.000 0.494 220 V N 5.571 125.443 119.914 -0.069 0.000 2.540 220 V HA 0.044 4.133 4.120 -0.052 0.000 0.297 220 V C 1.369 177.341 176.094 -0.203 0.000 1.024 220 V CA 0.566 62.628 62.300 -0.396 0.000 1.105 220 V CB 0.727 32.318 31.823 -0.386 0.000 0.938 220 V HN 0.848 nan 8.190 nan 0.000 0.482 221 V N 1.935 121.710 119.914 -0.231 0.000 3.523 221 V HA 0.772 4.861 4.120 -0.052 0.000 0.255 221 V C 0.766 176.829 176.094 -0.051 0.000 1.226 221 V CA 1.003 63.242 62.300 -0.102 0.000 1.092 221 V CB 0.011 31.798 31.823 -0.059 0.000 0.817 221 V HN 1.111 nan 8.190 nan 0.000 0.458 222 G N -1.353 107.348 108.800 -0.166 0.000 2.323 222 G HA2 0.575 4.504 3.960 -0.052 0.000 0.291 222 G HA3 0.575 4.504 3.960 -0.052 0.000 0.291 222 G C -0.692 174.155 174.900 -0.089 0.000 1.278 222 G CA 0.019 45.146 45.100 0.045 0.000 0.860 222 G HN 1.045 nan 8.290 nan 0.000 0.504 223 G N -1.744 107.180 108.800 0.206 0.000 2.695 223 G HA2 0.776 4.705 3.960 -0.052 0.000 0.290 223 G HA3 0.776 4.705 3.960 -0.052 0.000 0.290 223 G C -2.246 173.009 174.900 0.592 0.000 1.410 223 G CA -0.660 44.483 45.100 0.072 0.000 0.844 223 G HN 1.285 nan 8.290 nan 0.000 0.478 224 F N 0.631 120.743 119.950 0.270 0.000 2.605 224 F HA 0.535 5.030 4.527 -0.053 0.000 0.320 224 F C -0.943 174.947 175.800 0.151 0.000 1.159 224 F CA -0.689 57.473 58.000 0.270 0.000 0.999 224 F CB 2.214 41.332 39.000 0.196 0.000 1.258 224 F HN 0.382 nan 8.300 nan 0.000 0.464 225 V N 4.755 124.470 119.914 -0.331 0.000 2.350 225 V HA 0.410 4.499 4.120 -0.052 0.000 0.276 225 V C -0.179 175.730 176.094 -0.308 0.000 1.028 225 V CA -0.491 61.698 62.300 -0.185 0.000 0.860 225 V CB 1.217 32.980 31.823 -0.101 0.000 0.990 225 V HN 0.781 nan 8.190 nan 0.000 0.453 226 S N 5.018 120.750 115.700 0.053 0.000 2.499 226 S HA 0.487 4.926 4.470 -0.052 0.000 0.279 226 S C -0.282 174.259 174.600 -0.098 0.000 1.219 226 S CA -0.567 57.638 58.200 0.008 0.000 1.062 226 S CB 0.278 63.588 63.200 0.184 0.000 0.978 226 S HN 0.924 nan 8.310 nan 0.000 0.489 227 H N 1.221 120.046 119.070 -0.408 0.000 2.569 227 H HA 0.581 5.106 4.556 -0.052 0.000 0.357 227 H C -1.894 173.174 175.328 -0.433 0.000 1.153 227 H CA -0.872 55.067 56.048 -0.182 0.000 1.193 227 H CB 0.649 30.364 29.762 -0.079 0.000 1.602 227 H HN 0.563 nan 8.280 nan 0.000 0.523 228 Y N 1.432 121.854 120.300 0.203 0.000 2.421 228 Y HA 0.265 4.785 4.550 -0.050 0.000 0.339 228 Y C 0.172 176.129 175.900 0.094 0.000 0.996 228 Y CA -1.304 56.809 58.100 0.022 0.000 1.046 228 Y CB 1.825 40.281 38.460 -0.006 0.000 1.226 228 Y HN 0.666 nan 8.280 nan 0.000 0.445 229 L N 2.578 123.845 121.223 0.074 0.000 3.601 229 L HA -0.251 4.058 4.340 -0.052 0.000 0.469 229 L C -0.469 176.489 176.870 0.147 0.000 1.294 229 L CA 0.027 54.816 54.840 -0.085 0.000 0.829 229 L CB -1.151 40.618 42.059 -0.483 0.000 1.628 229 L HN 0.523 nan 8.230 nan 0.000 0.868 230 L N 1.356 122.701 121.223 0.204 0.000 2.525 230 L HA 0.049 4.358 4.340 -0.052 0.000 0.278 230 L C 1.227 178.223 176.870 0.209 0.000 1.218 230 L CA 0.742 55.690 54.840 0.181 0.000 0.878 230 L CB 0.588 42.660 42.059 0.021 0.000 1.127 230 L HN 0.270 nan 8.230 nan 0.000 0.492 231 E N 4.238 124.602 120.200 0.274 0.000 1.985 231 E HA -0.005 4.314 4.350 -0.052 0.000 0.268 231 E C 0.413 177.170 176.600 0.262 0.000 1.219 231 E CA 0.062 56.626 56.400 0.273 0.000 0.942 231 E CB 0.431 30.281 29.700 0.250 0.000 1.045 231 E HN 0.641 nan 8.360 nan 0.000 0.413 232 K N 1.502 122.028 120.400 0.209 0.000 2.167 232 K HA -0.092 4.197 4.320 -0.052 0.000 0.203 232 K C 2.109 178.775 176.600 0.110 0.000 1.052 232 K CA 1.123 57.517 56.287 0.178 0.000 0.956 232 K CB 0.134 32.733 32.500 0.166 0.000 0.735 232 K HN 0.455 nan 8.250 nan 0.000 0.451 233 S N 1.411 117.166 115.700 0.092 0.000 2.400 233 S HA -0.211 4.228 4.470 -0.052 0.000 0.232 233 S C 2.039 176.615 174.600 -0.040 0.000 1.025 233 S CA 1.051 59.270 58.200 0.030 0.000 0.993 233 S CB -0.266 62.962 63.200 0.047 0.000 0.808 233 S HN 0.257 nan 8.310 nan 0.000 0.478 234 R N 1.115 121.589 120.500 -0.044 0.000 2.152 234 R HA 0.061 4.370 4.340 -0.052 0.000 0.232 234 R C 2.061 178.232 176.300 -0.216 0.000 1.117 234 R CA 1.376 57.377 56.100 -0.165 0.000 0.981 234 R CB -0.569 29.545 30.300 -0.310 0.000 0.870 234 R HN 0.549 nan 8.270 nan 0.000 0.451 235 I N -0.324 120.162 120.570 -0.141 0.000 2.335 235 I HA -0.382 3.757 4.170 -0.052 0.000 0.251 235 I C 1.876 177.663 176.117 -0.549 0.000 1.129 235 I CA 1.106 62.241 61.300 -0.274 0.000 1.402 235 I CB -0.134 37.758 38.000 -0.179 0.000 1.069 235 I HN 0.335 nan 8.210 nan 0.000 0.424 236 C N -1.409 117.592 119.300 -0.498 0.000 2.689 236 C HA 0.405 4.834 4.460 -0.052 0.000 0.336 236 C C 0.819 175.688 174.990 -0.202 0.000 1.304 236 C CA -0.307 58.311 59.018 -0.667 0.000 1.860 236 C CB 0.723 28.172 27.740 -0.484 0.000 2.405 236 C HN 0.272 nan 8.230 nan 0.000 0.557 237 V N 0.994 120.824 119.914 -0.141 0.000 3.012 237 V HA 0.620 4.709 4.120 -0.052 0.000 0.307 237 V C -2.154 173.888 176.094 -0.088 0.000 1.166 237 V CA -0.105 62.157 62.300 -0.064 0.000 0.974 237 V CB 2.319 34.129 31.823 -0.021 0.000 1.040 237 V HN 0.485 nan 8.190 nan 0.000 0.428 238 Q N 2.587 122.344 119.800 -0.072 0.000 2.501 238 Q HA 0.734 5.043 4.340 -0.052 0.000 0.288 238 Q C -0.051 175.905 176.000 -0.075 0.000 1.051 238 Q CA 0.030 55.779 55.803 -0.090 0.000 0.788 238 Q CB 1.796 30.477 28.738 -0.096 0.000 1.469 238 Q HN 1.032 nan 8.270 nan 0.000 0.416 239 G N 0.298 109.041 108.800 -0.095 0.000 2.606 239 G HA2 0.149 4.078 3.960 -0.052 0.000 0.252 239 G HA3 0.149 4.078 3.960 -0.052 0.000 0.252 239 G C 0.076 174.937 174.900 -0.064 0.000 1.206 239 G CA -0.479 44.574 45.100 -0.079 0.000 0.861 239 G HN 0.523 nan 8.290 nan 0.000 0.561 240 K N -0.277 120.095 120.400 -0.047 0.000 2.280 240 K HA -0.073 4.216 4.320 -0.052 0.000 0.202 240 K C 1.634 178.205 176.600 -0.048 0.000 1.047 240 K CA 1.070 57.332 56.287 -0.041 0.000 0.942 240 K CB 0.169 32.650 32.500 -0.031 0.000 0.739 240 K HN 0.583 nan 8.250 nan 0.000 0.457 241 E N 0.245 120.417 120.200 -0.046 0.000 2.474 241 E HA 0.037 4.356 4.350 -0.052 0.000 0.195 241 E C -0.185 176.383 176.600 -0.052 0.000 1.039 241 E CA 0.139 56.513 56.400 -0.043 0.000 0.881 241 E CB 0.544 30.234 29.700 -0.017 0.000 0.970 241 E HN 0.303 nan 8.360 nan 0.000 0.486 242 E N 0.389 120.546 120.200 -0.071 0.000 2.339 242 E HA 0.483 4.802 4.350 -0.052 0.000 0.262 242 E C -0.206 176.338 176.600 -0.094 0.000 0.934 242 E CA -0.719 55.633 56.400 -0.079 0.000 0.802 242 E CB 2.043 31.675 29.700 -0.113 0.000 1.275 242 E HN -0.086 nan 8.360 nan 0.000 0.427 243 R N 0.624 121.064 120.500 -0.100 0.000 2.888 243 R HA 0.354 4.663 4.340 -0.052 0.000 0.266 243 R C -0.003 176.269 176.300 -0.046 0.000 1.020 243 R CA -0.999 55.042 56.100 -0.097 0.000 0.963 243 R CB 1.079 31.179 30.300 -0.332 0.000 1.197 243 R HN 0.411 nan 8.270 nan 0.000 0.481 244 N N 0.423 119.207 118.700 0.140 0.000 2.255 244 N HA 0.016 4.725 4.740 -0.052 0.000 0.253 244 N C -0.581 175.011 175.510 0.137 0.000 1.313 244 N CA 0.230 53.285 53.050 0.008 0.000 0.912 244 N CB 0.203 38.632 38.487 -0.097 0.000 1.145 244 N HN 0.275 nan 8.380 nan 0.000 0.511 245 Y N 0.979 121.462 120.300 0.305 0.000 2.702 245 Y HA -0.078 4.441 4.550 -0.053 0.000 0.336 245 Y C 2.002 178.132 175.900 0.384 0.000 1.235 245 Y CA 0.047 58.279 58.100 0.220 0.000 1.492 245 Y CB 0.293 38.845 38.460 0.152 0.000 1.308 245 Y HN 0.529 nan 8.280 nan 0.000 0.589 246 H N 1.792 121.126 119.070 0.440 0.000 2.394 246 H HA -0.210 4.314 4.556 -0.052 0.000 0.297 246 H C 2.168 177.661 175.328 0.276 0.000 1.113 246 H CA 2.043 58.321 56.048 0.383 0.000 1.277 246 H CB -0.208 29.696 29.762 0.235 0.000 1.370 246 H HN 0.748 nan 8.280 nan 0.000 0.506 247 I N 0.783 121.423 120.570 0.117 0.000 2.194 247 I HA -0.278 3.861 4.170 -0.052 0.000 0.246 247 I C 1.850 177.832 176.117 -0.226 0.000 1.093 247 I CA 1.132 62.291 61.300 -0.236 0.000 1.355 247 I CB -0.675 36.828 38.000 -0.828 0.000 1.046 247 I HN -0.049 nan 8.210 nan 0.000 0.413 248 F N -0.362 119.535 119.950 -0.089 0.000 2.126 248 F HA -0.256 4.240 4.527 -0.052 0.000 0.299 248 F C 2.172 177.745 175.800 -0.379 0.000 1.096 248 F CA 1.974 59.773 58.000 -0.335 0.000 1.255 248 F CB -1.180 37.485 39.000 -0.559 0.000 0.997 248 F HN 0.133 nan 8.300 nan 0.000 0.479 249 Y N -0.808 119.646 120.300 0.256 0.000 2.314 249 Y HA 0.022 4.542 4.550 -0.051 0.000 0.294 249 Y C 2.383 178.363 175.900 0.133 0.000 1.119 249 Y CA 0.459 58.733 58.100 0.290 0.000 1.179 249 Y CB -0.632 38.049 38.460 0.368 0.000 1.025 249 Y HN -0.159 nan 8.280 nan 0.000 0.541 250 R N -0.244 120.379 120.500 0.204 0.000 2.081 250 R HA -0.158 4.151 4.340 -0.052 0.000 0.235 250 R C 2.089 178.243 176.300 -0.244 0.000 1.131 250 R CA 1.497 57.639 56.100 0.071 0.000 0.960 250 R CB -0.702 29.717 30.300 0.197 0.000 0.856 250 R HN 0.256 nan 8.270 nan 0.000 0.436 251 L N 0.580 121.633 121.223 -0.284 0.000 2.017 251 L HA -0.173 4.136 4.340 -0.052 0.000 0.208 251 L C 2.138 178.669 176.870 -0.565 0.000 1.073 251 L CA 1.680 56.153 54.840 -0.611 0.000 0.745 251 L CB -0.511 41.258 42.059 -0.484 0.000 0.894 251 L HN 0.201 nan 8.230 nan 0.000 0.432 252 C N -0.718 118.410 119.300 -0.288 0.000 2.440 252 C HA -0.051 4.378 4.460 -0.052 0.000 0.278 252 C C 2.954 177.801 174.990 -0.239 0.000 1.295 252 C CA 0.647 59.570 59.018 -0.159 0.000 1.738 252 C CB -1.493 26.280 27.740 0.055 0.000 1.987 252 C HN 0.701 nan 8.230 nan 0.000 0.492 253 A N -0.045 122.534 122.820 -0.402 0.000 1.930 253 A HA 0.213 4.502 4.320 -0.052 0.000 0.215 253 A C 2.257 179.593 177.584 -0.412 0.000 1.176 253 A CA 1.899 53.563 52.037 -0.622 0.000 0.632 253 A CB -0.711 17.735 19.000 -0.925 0.000 0.819 253 A HN 0.561 nan 8.150 nan 0.000 0.445 254 G N -1.296 107.088 108.800 -0.694 0.000 2.784 254 G HA2 0.429 4.358 3.960 -0.052 0.000 0.208 254 G HA3 0.429 4.358 3.960 -0.052 0.000 0.208 254 G C 0.718 175.022 174.900 -0.993 0.000 1.120 254 G CA 0.625 45.180 45.100 -0.908 0.000 0.774 254 G HN 0.730 nan 8.290 nan 0.000 0.528 255 A N 1.234 123.380 122.820 -1.123 0.000 2.520 255 A HA 0.490 4.779 4.320 -0.052 0.000 0.235 255 A C 1.180 178.620 177.584 -0.240 0.000 1.065 255 A CA 0.435 52.093 52.037 -0.632 0.000 0.764 255 A CB 0.036 18.736 19.000 -0.500 0.000 1.002 255 A HN 0.988 nan 8.150 nan 0.000 0.502 256 S N 1.338 116.999 115.700 -0.066 0.000 2.576 256 S HA 0.084 4.523 4.470 -0.052 0.000 0.272 256 S C 0.791 175.367 174.600 -0.041 0.000 1.352 256 S CA 0.087 58.277 58.200 -0.017 0.000 1.021 256 S CB 0.613 63.833 63.200 0.034 0.000 0.887 256 S HN 0.685 nan 8.310 nan 0.000 0.542 257 E N 0.868 121.052 120.200 -0.025 0.000 2.153 257 E HA -0.181 4.138 4.350 -0.052 0.000 0.194 257 E C 1.492 178.074 176.600 -0.031 0.000 0.988 257 E CA 1.533 57.916 56.400 -0.029 0.000 0.811 257 E CB -0.461 29.229 29.700 -0.016 0.000 0.746 257 E HN 0.907 nan 8.360 nan 0.000 0.466 258 D N 0.438 120.827 120.400 -0.018 0.000 2.097 258 D HA -0.113 4.496 4.640 -0.052 0.000 0.195 258 D C 2.011 178.292 176.300 -0.032 0.000 0.989 258 D CA 0.928 54.915 54.000 -0.021 0.000 0.827 258 D CB -0.088 40.710 40.800 -0.004 0.000 0.966 258 D HN 0.106 nan 8.370 nan 0.000 0.456 259 I N -0.124 120.437 120.570 -0.014 0.000 2.252 259 I HA -0.188 3.951 4.170 -0.052 0.000 0.245 259 I C 2.666 178.748 176.117 -0.058 0.000 1.102 259 I CA 0.682 61.978 61.300 -0.007 0.000 1.385 259 I CB -0.302 37.728 38.000 0.051 0.000 1.064 259 I HN 0.032 nan 8.210 nan 0.000 0.414 260 R N 1.186 121.640 120.500 -0.077 0.000 2.096 260 R HA -0.233 4.076 4.340 -0.052 0.000 0.240 260 R C 2.094 178.333 176.300 -0.102 0.000 1.139 260 R CA 1.980 58.031 56.100 -0.081 0.000 0.952 260 R CB -0.156 30.104 30.300 -0.068 0.000 0.854 260 R HN 0.420 nan 8.270 nan 0.000 0.436 261 E N -0.283 119.849 120.200 -0.113 0.000 2.051 261 E HA -0.180 4.139 4.350 -0.052 0.000 0.192 261 E C 2.251 178.635 176.600 -0.360 0.000 0.991 261 E CA 1.270 57.569 56.400 -0.168 0.000 0.799 261 E CB -0.043 29.596 29.700 -0.101 0.000 0.748 261 E HN 0.327 nan 8.360 nan 0.000 0.449 262 R N 0.243 120.580 120.500 -0.271 0.000 2.120 262 R HA -0.064 4.245 4.340 -0.052 0.000 0.234 262 R C 1.992 178.026 176.300 -0.442 0.000 1.123 262 R CA 0.859 56.772 56.100 -0.311 0.000 0.975 262 R CB -0.077 30.146 30.300 -0.129 0.000 0.866 262 R HN 0.204 nan 8.270 nan 0.000 0.446 263 L N -0.210 120.835 121.223 -0.297 0.000 2.607 263 L HA 0.118 4.427 4.340 -0.052 0.000 0.228 263 L C -0.221 176.651 176.870 0.003 0.000 1.123 263 L CA -0.138 54.641 54.840 -0.103 0.000 0.890 263 L CB -0.111 41.957 42.059 0.015 0.000 1.103 263 L HN 0.348 nan 8.230 nan 0.000 0.468 264 H N -0.612 118.410 119.070 -0.080 0.000 2.770 264 H HA -0.136 4.389 4.556 -0.052 0.000 0.309 264 H C 0.204 175.647 175.328 0.191 0.000 1.206 264 H CA 0.354 56.311 56.048 -0.152 0.000 1.147 264 H CB -1.998 27.245 29.762 -0.865 0.000 1.422 264 H HN 0.312 nan 8.280 nan 0.000 0.420 265 L N 0.437 121.777 121.223 0.195 0.000 2.439 265 L HA 0.459 4.768 4.340 -0.052 0.000 0.259 265 L C 1.101 178.112 176.870 0.235 0.000 1.129 265 L CA 0.149 55.139 54.840 0.251 0.000 0.803 265 L CB 1.475 43.568 42.059 0.056 0.000 1.161 265 L HN 0.440 nan 8.230 nan 0.000 0.462 266 S N -1.481 114.416 115.700 0.327 0.000 2.724 266 S HA 0.358 4.797 4.470 -0.052 0.000 0.278 266 S C -0.749 173.990 174.600 0.231 0.000 1.190 266 S CA -0.776 57.539 58.200 0.192 0.000 0.860 266 S CB 0.971 64.217 63.200 0.076 0.000 1.206 266 S HN 0.620 nan 8.310 nan 0.000 0.507 267 S N 0.527 116.303 115.700 0.127 0.000 2.563 267 S HA 0.277 4.716 4.470 -0.052 0.000 0.284 267 S C -2.004 172.688 174.600 0.153 0.000 1.331 267 S CA -0.369 57.903 58.200 0.120 0.000 1.047 267 S CB -0.221 63.013 63.200 0.056 0.000 0.859 267 S HN 0.522 nan 8.310 nan 0.000 0.514 268 P HA -0.159 nan 4.420 nan 0.000 0.218 268 P C 1.111 178.491 177.300 0.132 0.000 1.146 268 P CA 1.413 64.612 63.100 0.166 0.000 0.813 268 P CB -0.148 31.587 31.700 0.059 0.000 0.778 269 D N -1.564 118.858 120.400 0.037 0.000 2.351 269 D HA -0.149 4.460 4.640 -0.052 0.000 0.216 269 D C 0.982 177.239 176.300 -0.072 0.000 0.968 269 D CA 0.761 54.756 54.000 -0.008 0.000 0.899 269 D CB -0.900 39.887 40.800 -0.021 0.000 0.907 269 D HN 0.198 nan 8.370 nan 0.000 0.514 270 N N -0.443 118.160 118.700 -0.162 0.000 2.398 270 N HA 0.034 4.743 4.740 -0.052 0.000 0.188 270 N C -0.596 174.505 175.510 -0.681 0.000 1.122 270 N CA 0.189 52.981 53.050 -0.430 0.000 0.866 270 N CB 0.208 38.354 38.487 -0.569 0.000 0.970 270 N HN 0.214 nan 8.380 nan 0.000 0.462 271 F N 0.014 119.917 119.950 -0.077 0.000 2.477 271 F HA 0.372 4.868 4.527 -0.052 0.000 0.335 271 F C 1.528 177.260 175.800 -0.114 0.000 1.130 271 F CA -1.033 56.895 58.000 -0.120 0.000 0.948 271 F CB 1.832 40.740 39.000 -0.154 0.000 1.154 271 F HN -0.274 nan 8.300 nan 0.000 0.439 272 R N 1.584 122.086 120.500 0.003 0.000 2.117 272 R HA -0.205 4.104 4.340 -0.052 0.000 0.243 272 R C 1.122 177.485 176.300 0.105 0.000 1.143 272 R CA 1.945 58.040 56.100 -0.008 0.000 0.968 272 R CB -0.177 30.069 30.300 -0.090 0.000 0.863 272 R HN 0.621 nan 8.270 nan 0.000 0.444 273 Y N 0.126 120.405 120.300 -0.035 0.000 2.616 273 Y HA -0.006 4.513 4.550 -0.051 0.000 0.296 273 Y C 1.587 177.351 175.900 -0.226 0.000 1.154 273 Y CA 0.485 58.492 58.100 -0.155 0.000 1.325 273 Y CB 0.098 38.409 38.460 -0.249 0.000 1.007 273 Y HN 0.137 nan 8.280 nan 0.000 0.542 274 L N -0.928 120.304 121.223 0.014 0.000 2.685 274 L HA 0.064 4.373 4.340 -0.052 0.000 0.235 274 L C 1.523 178.424 176.870 0.052 0.000 1.070 274 L CA 0.462 55.297 54.840 -0.009 0.000 0.888 274 L CB -0.101 41.923 42.059 -0.058 0.000 1.203 274 L HN 0.080 nan 8.230 nan 0.000 0.499 275 N N 0.090 118.819 118.700 0.048 0.000 2.398 275 N HA -0.094 4.615 4.740 -0.052 0.000 0.188 275 N C 1.567 177.084 175.510 0.012 0.000 1.122 275 N CA 0.454 53.521 53.050 0.028 0.000 0.866 275 N CB 0.011 38.505 38.487 0.011 0.000 0.970 275 N HN 0.050 nan 8.380 nan 0.000 0.462 276 R N -0.157 120.351 120.500 0.013 0.000 2.210 276 R HA 0.327 4.636 4.340 -0.052 0.000 0.203 276 R C 1.244 177.536 176.300 -0.013 0.000 1.010 276 R CA 0.614 56.713 56.100 -0.001 0.000 1.008 276 R CB -0.269 30.032 30.300 0.002 0.000 0.923 276 R HN 0.330 nan 8.270 nan 0.000 0.469 277 G N -1.069 107.727 108.800 -0.006 0.000 2.525 277 G HA2 0.142 4.071 3.960 -0.052 0.000 0.287 277 G HA3 0.142 4.071 3.960 -0.052 0.000 0.287 277 G C -0.756 174.130 174.900 -0.024 0.000 1.350 277 G CA -0.604 44.484 45.100 -0.020 0.000 1.039 277 G HN 0.296 nan 8.290 nan 0.000 0.513 278 C N 0.573 119.838 119.300 -0.057 0.000 2.629 278 C HA 0.469 4.898 4.460 -0.052 0.000 0.410 278 C C 1.927 176.864 174.990 -0.089 0.000 1.339 278 C CA 0.374 59.338 59.018 -0.089 0.000 1.810 278 C CB -0.537 27.120 27.740 -0.137 0.000 2.549 278 C HN 0.781 nan 8.230 nan 0.000 0.589 279 T N 2.987 117.501 114.554 -0.068 0.000 3.105 279 T HA 0.245 4.564 4.350 -0.052 0.000 0.253 279 T C 0.544 175.121 174.700 -0.206 0.000 1.047 279 T CA -0.202 61.867 62.100 -0.052 0.000 0.944 279 T CB -0.213 68.640 68.868 -0.025 0.000 1.016 279 T HN 0.794 nan 8.240 nan 0.000 0.544 280 R N 0.768 121.154 120.500 -0.190 0.000 2.490 280 R HA 0.478 4.787 4.340 -0.052 0.000 0.278 280 R C -0.878 175.273 176.300 -0.248 0.000 1.069 280 R CA -0.581 55.452 56.100 -0.111 0.000 1.080 280 R CB 0.397 30.671 30.300 -0.043 0.000 1.030 280 R HN 0.262 nan 8.270 nan 0.000 0.491 281 Y N 1.113 121.449 120.300 0.061 0.000 2.307 281 Y HA 0.202 4.721 4.550 -0.052 0.000 0.324 281 Y C 0.237 176.126 175.900 -0.019 0.000 1.238 281 Y CA -0.720 57.370 58.100 -0.017 0.000 1.280 281 Y CB 0.507 38.918 38.460 -0.083 0.000 1.248 281 Y HN 0.362 nan 8.280 nan 0.000 0.508 282 F N 1.773 121.874 119.950 0.250 0.000 2.472 282 F HA 0.483 4.979 4.527 -0.051 0.000 0.364 282 F C 0.477 176.389 175.800 0.187 0.000 1.090 282 F CA 0.175 58.276 58.000 0.167 0.000 1.188 282 F CB 0.081 39.130 39.000 0.081 0.000 1.105 282 F HN 0.519 nan 8.300 nan 0.000 0.536 283 A N 3.149 126.170 122.820 0.335 0.000 2.610 283 A HA 0.659 4.948 4.320 -0.052 0.000 0.291 283 A C -1.226 176.471 177.584 0.187 0.000 1.086 283 A CA -0.996 51.192 52.037 0.252 0.000 0.677 283 A CB 1.389 20.559 19.000 0.284 0.000 1.278 283 A HN 0.677 nan 8.150 nan 0.000 0.414 284 N N -0.035 118.748 118.700 0.138 0.000 2.906 284 N HA 0.418 5.127 4.740 -0.052 0.000 0.327 284 N C 0.459 176.015 175.510 0.077 0.000 1.344 284 N CA -0.527 52.582 53.050 0.099 0.000 0.823 284 N CB 0.384 38.923 38.487 0.086 0.000 1.351 284 N HN 0.523 nan 8.380 nan 0.000 0.604 285 K N -0.140 120.292 120.400 0.054 0.000 2.044 285 K HA -0.195 4.094 4.320 -0.052 0.000 0.210 285 K C 1.298 177.919 176.600 0.035 0.000 1.049 285 K CA 2.015 58.326 56.287 0.039 0.000 0.927 285 K CB -0.188 32.330 32.500 0.029 0.000 0.713 285 K HN 0.591 nan 8.250 nan 0.000 0.443 286 E N -0.345 119.876 120.200 0.034 0.000 2.028 286 E HA -0.132 4.187 4.350 -0.052 0.000 0.190 286 E C 2.142 178.743 176.600 0.002 0.000 0.984 286 E CA 1.734 58.146 56.400 0.020 0.000 0.800 286 E CB -0.154 29.562 29.700 0.026 0.000 0.758 286 E HN 0.440 nan 8.360 nan 0.000 0.448 287 T N -0.559 114.004 114.554 0.015 0.000 2.951 287 T HA -0.170 4.149 4.350 -0.052 0.000 0.268 287 T C 1.607 176.273 174.700 -0.056 0.000 1.073 287 T CA 1.402 63.487 62.100 -0.026 0.000 1.134 287 T CB -0.236 68.658 68.868 0.044 0.000 0.884 287 T HN 0.067 nan 8.240 nan 0.000 0.479 288 D N 1.617 122.037 120.400 0.034 0.000 2.149 288 D HA -0.136 4.473 4.640 -0.052 0.000 0.198 288 D C 2.086 178.394 176.300 0.014 0.000 0.990 288 D CA 1.137 55.189 54.000 0.086 0.000 0.839 288 D CB -0.220 40.673 40.800 0.155 0.000 0.948 288 D HN 0.446 nan 8.370 nan 0.000 0.460 289 K N -0.560 119.829 120.400 -0.018 0.000 2.283 289 K HA -0.069 4.220 4.320 -0.052 0.000 0.202 289 K C 2.096 178.639 176.600 -0.096 0.000 1.048 289 K CA 0.746 57.013 56.287 -0.034 0.000 0.948 289 K CB 0.014 32.502 32.500 -0.021 0.000 0.742 289 K HN 0.378 nan 8.250 nan 0.000 0.458 290 Q N 0.238 119.915 119.800 -0.206 0.000 2.424 290 Q HA 0.110 4.419 4.340 -0.052 0.000 0.204 290 Q C 0.115 175.865 176.000 -0.416 0.000 0.933 290 Q CA 0.223 55.801 55.803 -0.376 0.000 0.929 290 Q CB 0.321 28.648 28.738 -0.684 0.000 1.037 290 Q HN 0.276 nan 8.270 nan 0.000 0.511 291 I N 1.829 122.228 120.570 -0.285 0.000 2.352 291 I HA 0.089 4.228 4.170 -0.052 0.000 0.290 291 I C -0.104 175.962 176.117 -0.084 0.000 1.036 291 I CA -0.444 60.751 61.300 -0.175 0.000 1.336 291 I CB 0.752 38.624 38.000 -0.212 0.000 1.407 291 I HN 0.022 nan 8.210 nan 0.000 0.497 292 L N 6.532 127.720 121.223 -0.058 0.000 2.483 292 L HA 0.013 4.322 4.340 -0.052 0.000 0.276 292 L C 1.545 178.415 176.870 -0.000 0.000 1.213 292 L CA 0.189 55.016 54.840 -0.023 0.000 0.843 292 L CB 0.340 42.388 42.059 -0.019 0.000 1.107 292 L HN 0.681 nan 8.230 nan 0.000 0.487 293 Q N 1.569 121.380 119.800 0.018 0.000 2.112 293 Q HA -0.243 4.066 4.340 -0.052 0.000 0.206 293 Q C 1.442 177.467 176.000 0.042 0.000 0.987 293 Q CA 1.944 57.771 55.803 0.039 0.000 0.858 293 Q CB -0.268 28.491 28.738 0.035 0.000 0.905 293 Q HN 0.772 nan 8.270 nan 0.000 0.420 294 N N 0.154 118.871 118.700 0.028 0.000 2.571 294 N HA -0.118 4.591 4.740 -0.052 0.000 0.189 294 N C 0.778 176.314 175.510 0.044 0.000 1.154 294 N CA 0.616 53.684 53.050 0.031 0.000 0.907 294 N CB 0.146 38.645 38.487 0.021 0.000 0.977 294 N HN 0.134 nan 8.380 nan 0.000 0.449 295 R N 0.058 120.589 120.500 0.052 0.000 2.308 295 R HA 0.220 4.529 4.340 -0.052 0.000 0.202 295 R C -0.078 176.328 176.300 0.177 0.000 0.898 295 R CA 0.059 56.219 56.100 0.100 0.000 1.046 295 R CB 0.290 30.609 30.300 0.032 0.000 1.026 295 R HN 0.309 nan 8.270 nan 0.000 0.512 296 K N 1.819 122.284 120.400 0.107 0.000 2.183 296 K HA 0.197 4.486 4.320 -0.052 0.000 0.274 296 K C 0.211 176.846 176.600 0.059 0.000 1.009 296 K CA -0.214 56.112 56.287 0.066 0.000 0.888 296 K CB 1.596 34.177 32.500 0.135 0.000 1.078 296 K HN -0.016 nan 8.250 nan 0.000 0.459 297 S N 2.210 117.918 115.700 0.013 0.000 2.617 297 S HA 0.202 4.641 4.470 -0.052 0.000 0.269 297 S C -1.853 172.788 174.600 0.067 0.000 1.292 297 S CA -1.216 56.997 58.200 0.022 0.000 1.010 297 S CB 1.105 64.290 63.200 -0.024 0.000 0.944 297 S HN 0.305 nan 8.310 nan 0.000 0.536 298 P HA -0.167 nan 4.420 nan 0.000 0.216 298 P C 1.434 178.750 177.300 0.026 0.000 1.150 298 P CA 1.425 64.542 63.100 0.029 0.000 0.843 298 P CB 0.041 31.745 31.700 0.007 0.000 0.787 299 E N -1.590 118.622 120.200 0.019 0.000 2.051 299 E HA -0.243 4.076 4.350 -0.052 0.000 0.192 299 E C 1.986 178.595 176.600 0.015 0.000 0.991 299 E CA 0.969 57.370 56.400 0.002 0.000 0.799 299 E CB -0.536 29.157 29.700 -0.013 0.000 0.748 299 E HN 0.200 nan 8.360 nan 0.000 0.449 300 Y N 1.002 121.255 120.300 -0.079 0.000 2.181 300 Y HA -0.168 4.351 4.550 -0.052 0.000 0.288 300 Y C 2.002 177.886 175.900 -0.026 0.000 1.146 300 Y CA 1.567 59.627 58.100 -0.068 0.000 1.164 300 Y CB -0.082 38.328 38.460 -0.082 0.000 0.982 300 Y HN 0.031 nan 8.280 nan 0.000 0.515 301 L N 0.127 121.407 121.223 0.095 0.000 2.141 301 L HA -0.180 4.129 4.340 -0.052 0.000 0.209 301 L C 2.551 179.390 176.870 -0.052 0.000 1.094 301 L CA 1.602 56.459 54.840 0.028 0.000 0.763 301 L CB -0.434 41.671 42.059 0.076 0.000 0.908 301 L HN 0.150 nan 8.230 nan 0.000 0.437 302 K N 0.313 120.683 120.400 -0.050 0.000 2.067 302 K HA -0.030 4.259 4.320 -0.052 0.000 0.203 302 K C 1.981 178.527 176.600 -0.089 0.000 1.048 302 K CA 1.098 57.351 56.287 -0.057 0.000 0.954 302 K CB 0.054 32.532 32.500 -0.037 0.000 0.737 302 K HN 0.205 nan 8.250 nan 0.000 0.444 303 A N 0.654 123.405 122.820 -0.115 0.000 2.147 303 A HA 0.314 4.603 4.320 -0.052 0.000 0.211 303 A C 0.793 178.263 177.584 -0.191 0.000 1.160 303 A CA 0.868 52.829 52.037 -0.127 0.000 0.781 303 A CB -0.233 18.705 19.000 -0.103 0.000 0.842 303 A HN 0.578 nan 8.150 nan 0.000 0.475 304 G N -0.451 108.156 108.800 -0.322 0.000 2.725 304 G HA2 0.029 3.958 3.960 -0.052 0.000 0.220 304 G HA3 0.029 3.958 3.960 -0.052 0.000 0.220 304 G C 0.181 174.750 174.900 -0.551 0.000 1.357 304 G CA -0.045 44.772 45.100 -0.471 0.000 0.866 304 G HN 1.635 nan 8.290 nan 0.000 0.548 305 S N -0.882 114.566 115.700 -0.421 0.000 2.614 305 S HA 0.690 5.129 4.470 -0.052 0.000 0.265 305 S C 0.647 175.202 174.600 -0.075 0.000 1.303 305 S CA -0.413 57.719 58.200 -0.112 0.000 1.000 305 S CB 1.113 64.391 63.200 0.131 0.000 0.935 305 S HN 0.987 nan 8.310 nan 0.000 0.551 306 L N 1.390 122.555 121.223 -0.097 0.000 2.395 306 L HA 0.428 4.737 4.340 -0.052 0.000 0.269 306 L C 0.344 177.250 176.870 0.060 0.000 1.133 306 L CA -0.594 54.127 54.840 -0.198 0.000 0.812 306 L CB 0.460 42.050 42.059 -0.781 0.000 1.125 306 L HN 0.576 nan 8.230 nan 0.000 0.452 307 K N 2.150 122.636 120.400 0.144 0.000 2.244 307 K HA 0.566 4.855 4.320 -0.052 0.000 0.260 307 K C -1.329 175.450 176.600 0.298 0.000 0.951 307 K CA -0.613 55.799 56.287 0.209 0.000 0.826 307 K CB 2.097 34.661 32.500 0.106 0.000 1.108 307 K HN 0.510 nan 8.250 nan 0.000 0.433 308 D N 1.499 122.053 120.400 0.257 0.000 2.803 308 D HA 0.311 4.920 4.640 -0.052 0.000 0.218 308 D C -1.946 174.412 176.300 0.097 0.000 1.245 308 D CA -1.175 52.911 54.000 0.144 0.000 0.821 308 D CB 1.829 42.622 40.800 -0.012 0.000 1.626 308 D HN 0.126 nan 8.370 nan 0.000 0.487 309 P HA 0.050 nan 4.420 nan 0.000 0.219 309 P C 0.957 178.296 177.300 0.065 0.000 1.150 309 P CA 0.203 63.362 63.100 0.099 0.000 0.814 309 P CB 0.358 32.141 31.700 0.139 0.000 0.787 310 L N -1.730 119.506 121.223 0.022 0.000 2.262 310 L HA 0.235 4.544 4.340 -0.052 0.000 0.197 310 L C 0.728 177.557 176.870 -0.067 0.000 1.073 310 L CA 0.922 55.754 54.840 -0.013 0.000 0.800 310 L CB -0.705 41.339 42.059 -0.026 0.000 0.987 310 L HN -0.225 nan 8.230 nan 0.000 0.470 311 L N 1.139 122.252 121.223 -0.182 0.000 2.371 311 L HA 0.289 4.598 4.340 -0.052 0.000 0.272 311 L C -0.653 176.154 176.870 -0.104 0.000 1.124 311 L CA 0.015 54.674 54.840 -0.301 0.000 0.816 311 L CB 0.754 42.319 42.059 -0.823 0.000 1.129 311 L HN 0.206 nan 8.230 nan 0.000 0.448 312 D N 1.696 122.087 120.400 -0.014 0.000 2.591 312 D HA 0.037 4.646 4.640 -0.052 0.000 0.222 312 D C -0.274 176.103 176.300 0.129 0.000 1.360 312 D CA -0.387 53.690 54.000 0.128 0.000 0.967 312 D CB 1.548 42.416 40.800 0.114 0.000 1.456 312 D HN 0.509 nan 8.370 nan 0.000 0.588 313 D N 1.274 121.791 120.400 0.196 0.000 2.104 313 D HA -0.196 4.413 4.640 -0.052 0.000 0.194 313 D C 1.489 177.841 176.300 0.086 0.000 0.994 313 D CA 0.968 55.059 54.000 0.151 0.000 0.830 313 D CB 0.047 40.973 40.800 0.211 0.000 0.959 313 D HN 0.611 nan 8.370 nan 0.000 0.452 314 H N 0.643 119.697 119.070 -0.027 0.000 2.299 314 H HA -0.054 4.471 4.556 -0.052 0.000 0.302 314 H C 2.131 177.505 175.328 0.076 0.000 1.078 314 H CA 1.877 57.911 56.048 -0.024 0.000 1.323 314 H CB -0.267 29.450 29.762 -0.076 0.000 1.381 314 H HN 0.147 nan 8.280 nan 0.000 0.498 315 G N 0.590 109.514 108.800 0.207 0.000 2.440 315 G HA2 -0.252 3.677 3.960 -0.052 0.000 0.218 315 G HA3 -0.252 3.677 3.960 -0.052 0.000 0.218 315 G C 1.372 176.316 174.900 0.073 0.000 1.154 315 G CA 0.961 46.147 45.100 0.143 0.000 0.767 315 G HN 0.419 nan 8.290 nan 0.000 0.552 316 D N -0.231 120.210 120.400 0.068 0.000 2.183 316 D HA -0.061 4.548 4.640 -0.052 0.000 0.203 316 D C 1.926 178.257 176.300 0.052 0.000 0.969 316 D CA 0.261 54.287 54.000 0.043 0.000 0.842 316 D CB -0.299 40.513 40.800 0.020 0.000 0.957 316 D HN 0.304 nan 8.370 nan 0.000 0.484 317 F N 1.652 121.550 119.950 -0.086 0.000 2.095 317 F HA -0.159 4.337 4.527 -0.052 0.000 0.298 317 F C 2.153 177.901 175.800 -0.086 0.000 1.104 317 F CA 1.211 59.142 58.000 -0.115 0.000 1.232 317 F CB -0.303 38.561 39.000 -0.227 0.000 0.987 317 F HN -0.151 nan 8.300 nan 0.000 0.475 318 I N 0.097 120.626 120.570 -0.068 0.000 2.163 318 I HA -0.331 3.808 4.170 -0.052 0.000 0.243 318 I C 2.600 178.648 176.117 -0.115 0.000 1.085 318 I CA 1.578 62.812 61.300 -0.110 0.000 1.347 318 I CB -0.562 37.431 38.000 -0.010 0.000 1.044 318 I HN 0.087 nan 8.210 nan 0.000 0.408 319 R N 0.099 120.565 120.500 -0.057 0.000 2.096 319 R HA -0.175 4.134 4.340 -0.052 0.000 0.235 319 R C 2.372 178.637 176.300 -0.059 0.000 1.127 319 R CA 1.489 57.567 56.100 -0.037 0.000 0.968 319 R CB -0.303 29.996 30.300 -0.002 0.000 0.861 319 R HN 0.411 nan 8.270 nan 0.000 0.440 320 M N 0.075 119.624 119.600 -0.086 0.000 2.086 320 M HA -0.208 4.241 4.480 -0.052 0.000 0.261 320 M C 2.010 178.236 176.300 -0.125 0.000 1.067 320 M CA 1.681 56.935 55.300 -0.077 0.000 1.116 320 M CB -0.117 32.447 32.600 -0.059 0.000 1.348 320 M HN 0.259 nan 8.290 nan 0.000 0.407 321 C N 0.354 119.506 119.300 -0.247 0.000 2.425 321 C HA -0.109 4.320 4.460 -0.052 0.000 0.277 321 C C 2.638 177.549 174.990 -0.132 0.000 1.280 321 C CA 1.532 60.413 59.018 -0.228 0.000 1.744 321 C CB -1.324 26.204 27.740 -0.352 0.000 1.989 321 C HN 0.626 nan 8.230 nan 0.000 0.491 322 T N 1.293 115.784 114.554 -0.105 0.000 2.708 322 T HA -0.131 4.188 4.350 -0.052 0.000 0.266 322 T C 2.174 176.844 174.700 -0.050 0.000 1.037 322 T CA 1.713 63.776 62.100 -0.062 0.000 1.146 322 T CB -0.481 68.363 68.868 -0.041 0.000 0.865 322 T HN 0.638 nan 8.240 nan 0.000 0.435 323 A N 1.549 124.342 122.820 -0.044 0.000 1.883 323 A HA -0.138 4.151 4.320 -0.052 0.000 0.217 323 A C 2.365 179.925 177.584 -0.041 0.000 1.186 323 A CA 1.837 53.857 52.037 -0.028 0.000 0.624 323 A CB -0.790 18.203 19.000 -0.011 0.000 0.822 323 A HN 0.472 nan 8.150 nan 0.000 0.444 324 M N -0.879 118.686 119.600 -0.059 0.000 2.108 324 M HA -0.205 4.244 4.480 -0.052 0.000 0.261 324 M C 2.204 178.456 176.300 -0.081 0.000 1.066 324 M CA 1.938 57.191 55.300 -0.078 0.000 1.107 324 M CB -0.370 32.169 32.600 -0.102 0.000 1.356 324 M HN 0.350 nan 8.290 nan 0.000 0.406 325 K N 0.079 120.435 120.400 -0.075 0.000 2.025 325 K HA -0.111 4.178 4.320 -0.052 0.000 0.207 325 K C 2.020 178.589 176.600 -0.051 0.000 1.049 325 K CA 1.080 57.328 56.287 -0.065 0.000 0.933 325 K CB -0.109 32.356 32.500 -0.057 0.000 0.714 325 K HN 0.285 nan 8.250 nan 0.000 0.438 326 K N 0.980 121.355 120.400 -0.041 0.000 2.097 326 K HA -0.131 4.158 4.320 -0.052 0.000 0.206 326 K C 2.126 178.709 176.600 -0.029 0.000 1.049 326 K CA 1.394 57.664 56.287 -0.028 0.000 0.933 326 K CB -0.189 32.301 32.500 -0.018 0.000 0.717 326 K HN 0.366 nan 8.250 nan 0.000 0.442 327 I N -3.406 117.142 120.570 -0.037 0.000 3.578 327 I HA 0.181 4.320 4.170 -0.052 0.000 0.295 327 I C 0.882 176.956 176.117 -0.072 0.000 1.280 327 I CA 0.750 62.024 61.300 -0.043 0.000 1.347 327 I CB 0.232 38.205 38.000 -0.046 0.000 1.051 327 I HN 0.194 nan 8.210 nan 0.000 0.460 328 G N 1.538 110.295 108.800 -0.071 0.000 2.168 328 G HA2 -0.154 3.775 3.960 -0.052 0.000 0.197 328 G HA3 -0.154 3.775 3.960 -0.052 0.000 0.197 328 G C -0.270 174.576 174.900 -0.090 0.000 0.997 328 G CA -0.371 44.683 45.100 -0.077 0.000 0.658 328 G HN 0.230 nan 8.290 nan 0.000 0.513 329 L N 2.704 123.867 121.223 -0.101 0.000 2.360 329 L HA 0.481 4.790 4.340 -0.052 0.000 0.276 329 L C 0.732 177.540 176.870 -0.104 0.000 1.121 329 L CA -0.131 54.643 54.840 -0.110 0.000 0.845 329 L CB 0.815 42.797 42.059 -0.129 0.000 1.143 329 L HN 0.426 nan 8.230 nan 0.000 0.452 330 D N 0.618 120.960 120.400 -0.098 0.000 2.383 330 D HA 0.070 4.679 4.640 -0.052 0.000 0.248 330 D C 0.427 176.655 176.300 -0.120 0.000 1.170 330 D CA -0.483 53.462 54.000 -0.093 0.000 0.977 330 D CB 0.640 41.395 40.800 -0.074 0.000 1.120 330 D HN 0.377 nan 8.370 nan 0.000 0.481 331 D N -0.609 119.727 120.400 -0.105 0.000 2.178 331 D HA -0.169 4.440 4.640 -0.052 0.000 0.201 331 D C 1.508 177.717 176.300 -0.152 0.000 0.980 331 D CA 1.032 54.960 54.000 -0.120 0.000 0.842 331 D CB -0.115 40.638 40.800 -0.078 0.000 0.948 331 D HN 0.744 nan 8.370 nan 0.000 0.472 332 E N 0.862 120.982 120.200 -0.133 0.000 2.051 332 E HA -0.197 4.122 4.350 -0.052 0.000 0.192 332 E C 1.711 178.168 176.600 -0.238 0.000 0.991 332 E CA 0.974 57.281 56.400 -0.155 0.000 0.799 332 E CB 0.141 29.774 29.700 -0.111 0.000 0.748 332 E HN 0.306 nan 8.360 nan 0.000 0.449 333 E N 0.585 120.656 120.200 -0.216 0.000 2.058 333 E HA -0.245 4.074 4.350 -0.052 0.000 0.194 333 E C 2.173 178.554 176.600 -0.366 0.000 0.997 333 E CA 1.212 57.459 56.400 -0.254 0.000 0.801 333 E CB -0.146 29.475 29.700 -0.131 0.000 0.746 333 E HN 0.163 nan 8.360 nan 0.000 0.450 334 K N 1.156 121.335 120.400 -0.367 0.000 2.032 334 K HA -0.178 4.111 4.320 -0.052 0.000 0.209 334 K C 2.175 178.283 176.600 -0.820 0.000 1.048 334 K CA 1.218 57.149 56.287 -0.592 0.000 0.927 334 K CB -0.110 32.092 32.500 -0.496 0.000 0.712 334 K HN 0.069 nan 8.250 nan 0.000 0.441 335 L N 0.749 121.676 121.223 -0.493 0.000 2.093 335 L HA -0.180 4.129 4.340 -0.052 0.000 0.208 335 L C 2.041 178.734 176.870 -0.294 0.000 1.085 335 L CA 0.970 55.627 54.840 -0.306 0.000 0.755 335 L CB -0.505 41.468 42.059 -0.144 0.000 0.904 335 L HN 0.254 nan 8.230 nan 0.000 0.435 336 D N 0.432 120.550 120.400 -0.469 0.000 2.104 336 D HA -0.172 4.437 4.640 -0.052 0.000 0.194 336 D C 2.400 178.356 176.300 -0.573 0.000 0.994 336 D CA 1.235 54.798 54.000 -0.729 0.000 0.830 336 D CB -0.219 39.672 40.800 -1.515 0.000 0.959 336 D HN 0.233 nan 8.370 nan 0.000 0.452 337 L N -0.226 120.717 121.223 -0.467 0.000 2.012 337 L HA -0.166 4.143 4.340 -0.052 0.000 0.210 337 L C 2.612 179.590 176.870 0.180 0.000 1.073 337 L CA 1.119 55.901 54.840 -0.095 0.000 0.748 337 L CB -0.590 41.433 42.059 -0.059 0.000 0.891 337 L HN 0.055 nan 8.230 nan 0.000 0.431 338 F N -0.310 119.659 119.950 0.032 0.000 2.171 338 F HA -0.242 4.254 4.527 -0.052 0.000 0.300 338 F C 2.920 178.743 175.800 0.039 0.000 1.090 338 F CA 0.646 58.676 58.000 0.050 0.000 1.293 338 F CB -0.256 38.771 39.000 0.046 0.000 1.013 338 F HN 0.055 nan 8.300 nan 0.000 0.486 339 R N 0.829 121.443 120.500 0.189 0.000 2.073 339 R HA -0.143 4.166 4.340 -0.052 0.000 0.234 339 R C 2.028 178.434 176.300 0.175 0.000 1.134 339 R CA 1.581 57.764 56.100 0.137 0.000 0.952 339 R CB -0.486 29.843 30.300 0.048 0.000 0.850 339 R HN 0.107 nan 8.270 nan 0.000 0.433 340 V N 0.264 120.286 119.914 0.180 0.000 2.343 340 V HA -0.209 3.880 4.120 -0.052 0.000 0.247 340 V C 2.390 178.648 176.094 0.274 0.000 1.051 340 V CA 1.558 64.001 62.300 0.238 0.000 1.036 340 V CB -0.248 31.733 31.823 0.263 0.000 0.654 340 V HN 0.198 nan 8.190 nan 0.000 0.451 341 V N 0.525 120.597 119.914 0.264 0.000 2.255 341 V HA -0.311 3.778 4.120 -0.052 0.000 0.247 341 V C 2.741 178.972 176.094 0.227 0.000 1.051 341 V CA 2.296 64.737 62.300 0.235 0.000 1.018 341 V CB -1.184 30.678 31.823 0.066 0.000 0.641 341 V HN 0.572 nan 8.190 nan 0.000 0.445 342 A N 0.281 123.192 122.820 0.152 0.000 1.933 342 A HA -0.075 4.214 4.320 -0.052 0.000 0.218 342 A C 2.406 180.106 177.584 0.194 0.000 1.175 342 A CA 1.871 53.959 52.037 0.085 0.000 0.628 342 A CB -1.174 17.903 19.000 0.129 0.000 0.814 342 A HN 0.550 nan 8.150 nan 0.000 0.444 343 G N -0.494 108.471 108.800 0.276 0.000 2.418 343 G HA2 -0.130 3.799 3.960 -0.052 0.000 0.217 343 G HA3 -0.130 3.799 3.960 -0.052 0.000 0.217 343 G C 1.504 176.584 174.900 0.300 0.000 1.158 343 G CA 1.237 46.523 45.100 0.312 0.000 0.771 343 G HN 0.314 nan 8.290 nan 0.000 0.545 344 V N 0.886 120.994 119.914 0.323 0.000 2.343 344 V HA -0.130 3.959 4.120 -0.052 0.000 0.247 344 V C 2.921 179.211 176.094 0.326 0.000 1.051 344 V CA 1.414 63.947 62.300 0.388 0.000 1.036 344 V CB -0.415 31.713 31.823 0.508 0.000 0.654 344 V HN 0.344 nan 8.190 nan 0.000 0.451 345 L N -0.880 120.442 121.223 0.164 0.000 2.012 345 L HA -0.203 4.106 4.340 -0.052 0.000 0.210 345 L C 2.701 179.539 176.870 -0.054 0.000 1.073 345 L CA 1.692 56.460 54.840 -0.120 0.000 0.748 345 L CB -0.877 40.793 42.059 -0.648 0.000 0.891 345 L HN 0.429 nan 8.230 nan 0.000 0.431 346 H N -0.756 118.427 119.070 0.188 0.000 2.389 346 H HA -0.149 4.377 4.556 -0.051 0.000 0.299 346 H C 2.127 177.501 175.328 0.077 0.000 1.081 346 H CA 1.321 57.496 56.048 0.212 0.000 1.345 346 H CB -0.172 29.754 29.762 0.274 0.000 1.393 346 H HN 0.177 nan 8.280 nan 0.000 0.520 347 L N 1.045 122.382 121.223 0.190 0.000 2.013 347 L HA -0.088 4.221 4.340 -0.052 0.000 0.212 347 L C 2.504 179.336 176.870 -0.063 0.000 1.073 347 L CA 2.108 57.022 54.840 0.122 0.000 0.753 347 L CB -1.100 41.096 42.059 0.228 0.000 0.890 347 L HN 0.260 nan 8.230 nan 0.000 0.432 348 G N -1.295 107.255 108.800 -0.417 0.000 2.471 348 G HA2 -0.265 3.664 3.960 -0.052 0.000 0.219 348 G HA3 -0.265 3.664 3.960 -0.052 0.000 0.219 348 G C 1.322 175.905 174.900 -0.528 0.000 1.125 348 G CA 0.679 45.087 45.100 -1.152 0.000 0.775 348 G HN 0.463 nan 8.290 nan 0.000 0.548 349 N N 0.183 118.731 118.700 -0.254 0.000 2.467 349 N HA 0.097 4.806 4.740 -0.052 0.000 0.184 349 N C 0.628 176.034 175.510 -0.174 0.000 1.106 349 N CA -0.044 52.916 53.050 -0.151 0.000 0.892 349 N CB 0.134 38.603 38.487 -0.030 0.000 0.969 349 N HN 0.294 nan 8.380 nan 0.000 0.454 350 I N 1.557 122.007 120.570 -0.200 0.000 2.517 350 I HA -0.005 4.134 4.170 -0.052 0.000 0.285 350 I C -0.130 175.649 176.117 -0.563 0.000 1.106 350 I CA 0.186 61.288 61.300 -0.330 0.000 1.402 350 I CB 0.373 38.210 38.000 -0.272 0.000 1.399 350 I HN -0.183 nan 8.210 nan 0.000 0.535 351 D N 6.466 126.504 120.400 -0.603 0.000 2.269 351 D HA 0.561 5.170 4.640 -0.052 0.000 0.244 351 D C -0.683 175.163 176.300 -0.758 0.000 0.992 351 D CA -0.159 53.508 54.000 -0.554 0.000 0.894 351 D CB 1.938 42.590 40.800 -0.246 0.000 1.248 351 D HN 0.097 nan 8.370 nan 0.000 0.468 352 F N 0.040 119.986 119.950 -0.007 0.000 2.561 352 F HA 0.401 4.897 4.527 -0.052 0.000 0.321 352 F C 0.595 176.391 175.800 -0.007 0.000 1.065 352 F CA -0.970 57.026 58.000 -0.006 0.000 0.934 352 F CB 1.884 40.884 39.000 0.001 0.000 1.215 352 F HN 0.185 nan 8.300 nan 0.000 0.471 353 E N -0.240 120.069 120.200 0.182 0.000 2.393 353 E HA 0.359 4.678 4.350 -0.052 0.000 0.273 353 E C -1.501 175.146 176.600 0.078 0.000 0.918 353 E CA -1.100 55.357 56.400 0.095 0.000 0.773 353 E CB 1.703 31.431 29.700 0.046 0.000 1.275 353 E HN 0.429 nan 8.360 nan 0.000 0.451 354 E N 0.709 120.938 120.200 0.049 0.000 2.465 354 E HA 0.022 4.341 4.350 -0.052 0.000 0.260 354 E C 0.327 176.942 176.600 0.025 0.000 0.980 354 E CA 0.577 56.995 56.400 0.030 0.000 0.927 354 E CB 1.255 30.967 29.700 0.020 0.000 0.934 354 E HN 0.671 nan 8.360 nan 0.000 0.459 355 A N 3.546 126.378 122.820 0.020 0.000 2.072 355 A HA 0.207 4.496 4.320 -0.052 0.000 0.216 355 A C 1.216 178.804 177.584 0.008 0.000 1.156 355 A CA 1.117 53.163 52.037 0.014 0.000 0.701 355 A CB -0.339 18.668 19.000 0.012 0.000 0.816 355 A HN 0.878 nan 8.150 nan 0.000 0.458 356 G N -0.969 107.835 108.800 0.006 0.000 2.553 356 G HA2 -0.236 3.693 3.960 -0.052 0.000 0.242 356 G HA3 -0.236 3.693 3.960 -0.052 0.000 0.242 356 G C 0.713 175.613 174.900 -0.000 0.000 1.277 356 G CA 0.188 45.290 45.100 0.002 0.000 0.910 356 G HN 0.677 nan 8.290 nan 0.000 0.576 357 S N 0.976 116.675 115.700 -0.001 0.000 2.607 357 S HA 0.076 4.515 4.470 -0.052 0.000 0.224 357 S C 2.404 177.003 174.600 -0.003 0.000 0.969 357 S CA 1.923 60.121 58.200 -0.002 0.000 0.927 357 S CB -0.469 62.730 63.200 -0.002 0.000 0.772 357 S HN 1.316 nan 8.310 nan 0.000 0.533 358 T N 1.136 115.688 114.554 -0.002 0.000 2.612 358 T HA -0.106 4.213 4.350 -0.052 0.000 0.259 358 T C 2.008 176.706 174.700 -0.004 0.000 1.065 358 T CA 1.671 63.770 62.100 -0.002 0.000 1.167 358 T CB -0.662 68.206 68.868 -0.001 0.000 0.863 358 T HN 0.479 nan 8.240 nan 0.000 0.407 359 S N -0.171 115.527 115.700 -0.004 0.000 2.505 359 S HA 0.494 4.933 4.470 -0.052 0.000 0.216 359 S C 2.025 176.619 174.600 -0.010 0.000 1.018 359 S CA 0.580 58.776 58.200 -0.007 0.000 0.911 359 S CB -0.093 63.102 63.200 -0.007 0.000 0.818 359 S HN 1.429 nan 8.310 nan 0.000 0.497 360 G N 0.606 109.402 108.800 -0.008 0.000 2.179 360 G HA2 -0.166 3.763 3.960 -0.052 0.000 0.260 360 G HA3 -0.166 3.763 3.960 -0.052 0.000 0.260 360 G C 0.620 175.512 174.900 -0.013 0.000 0.977 360 G CA 0.312 45.406 45.100 -0.010 0.000 0.641 360 G HN 1.056 nan 8.290 nan 0.000 0.533 361 G N -0.742 108.049 108.800 -0.015 0.000 3.441 361 G HA2 0.614 4.543 3.960 -0.052 0.000 0.195 361 G HA3 0.614 4.543 3.960 -0.052 0.000 0.195 361 G C 0.521 175.413 174.900 -0.013 0.000 1.633 361 G CA 0.832 45.918 45.100 -0.024 0.000 0.895 361 G HN 1.793 nan 8.290 nan 0.000 0.654 362 C N -1.774 117.519 119.300 -0.012 0.000 3.090 362 C HA 0.832 5.261 4.460 -0.052 0.000 0.305 362 C C -0.746 174.280 174.990 0.059 0.000 1.292 362 C CA -1.416 57.617 59.018 0.025 0.000 1.482 362 C CB 0.810 28.559 27.740 0.015 0.000 1.897 362 C HN 0.695 nan 8.230 nan 0.000 0.469 363 N N 0.168 118.929 118.700 0.103 0.000 2.328 363 N HA 0.685 5.394 4.740 -0.052 0.000 0.299 363 N C -1.344 174.279 175.510 0.189 0.000 1.179 363 N CA -0.649 52.470 53.050 0.116 0.000 0.793 363 N CB 1.151 39.673 38.487 0.058 0.000 1.366 363 N HN 0.599 nan 8.380 nan 0.000 0.493 364 L N 1.643 122.958 121.223 0.153 0.000 2.453 364 L HA 0.101 4.410 4.340 -0.052 0.000 0.272 364 L C 0.508 177.359 176.870 -0.031 0.000 1.182 364 L CA 0.479 55.334 54.840 0.026 0.000 0.858 364 L CB 0.133 42.173 42.059 -0.030 0.000 1.120 364 L HN 0.348 nan 8.230 nan 0.000 0.474 365 K N 2.735 123.079 120.400 -0.094 0.000 2.414 365 K HA 0.012 4.301 4.320 -0.052 0.000 0.272 365 K C 0.882 177.432 176.600 -0.083 0.000 0.993 365 K CA -0.387 55.855 56.287 -0.076 0.000 0.964 365 K CB 0.381 32.825 32.500 -0.094 0.000 0.925 365 K HN 0.487 nan 8.250 nan 0.000 0.487 366 N N 2.387 121.050 118.700 -0.062 0.000 2.149 366 N HA -0.168 4.541 4.740 -0.052 0.000 0.188 366 N C 1.099 176.559 175.510 -0.084 0.000 1.019 366 N CA 1.388 54.398 53.050 -0.065 0.000 0.857 366 N CB 0.018 38.475 38.487 -0.050 0.000 0.997 366 N HN 0.439 nan 8.380 nan 0.000 0.426 367 K N 0.367 120.715 120.400 -0.087 0.000 2.211 367 K HA 0.028 4.317 4.320 -0.052 0.000 0.204 367 K C 1.411 177.936 176.600 -0.126 0.000 1.047 367 K CA 0.899 57.127 56.287 -0.098 0.000 0.935 367 K CB 0.019 32.465 32.500 -0.090 0.000 0.728 367 K HN 0.057 nan 8.250 nan 0.000 0.452 368 S N 0.208 115.821 115.700 -0.144 0.000 2.631 368 S HA 0.003 4.442 4.470 -0.052 0.000 0.217 368 S C 1.377 175.870 174.600 -0.179 0.000 0.958 368 S CA 0.337 58.433 58.200 -0.174 0.000 0.920 368 S CB 0.166 63.231 63.200 -0.225 0.000 0.776 368 S HN 0.280 nan 8.310 nan 0.000 0.517 369 T N 2.818 117.272 114.554 -0.167 0.000 2.684 369 T HA -0.181 4.138 4.350 -0.052 0.000 0.267 369 T C 1.891 176.426 174.700 -0.274 0.000 1.036 369 T CA 1.371 63.364 62.100 -0.178 0.000 1.148 369 T CB -0.209 68.572 68.868 -0.144 0.000 0.863 369 T HN 0.476 nan 8.240 nan 0.000 0.436 370 Q N 0.417 120.007 119.800 -0.350 0.000 2.050 370 Q HA -0.031 4.278 4.340 -0.052 0.000 0.202 370 Q C 2.777 178.304 176.000 -0.788 0.000 0.980 370 Q CA 1.399 56.799 55.803 -0.671 0.000 0.840 370 Q CB -0.344 28.039 28.738 -0.591 0.000 0.898 370 Q HN 0.559 nan 8.270 nan 0.000 0.424 371 A N 0.922 123.514 122.820 -0.381 0.000 1.908 371 A HA -0.207 4.082 4.320 -0.052 0.000 0.218 371 A C 2.060 179.564 177.584 -0.134 0.000 1.181 371 A CA 1.369 53.311 52.037 -0.157 0.000 0.627 371 A CB -0.690 18.276 19.000 -0.057 0.000 0.818 371 A HN 0.372 nan 8.150 nan 0.000 0.445 372 L N 0.010 121.133 121.223 -0.165 0.000 2.017 372 L HA -0.164 4.145 4.340 -0.052 0.000 0.208 372 L C 2.323 179.128 176.870 -0.109 0.000 1.073 372 L CA 2.743 57.521 54.840 -0.102 0.000 0.745 372 L CB -0.577 41.423 42.059 -0.098 0.000 0.894 372 L HN 0.612 nan 8.230 nan 0.000 0.432 373 E N -1.265 118.801 120.200 -0.223 0.000 2.031 373 E HA -0.270 4.049 4.350 -0.052 0.000 0.193 373 E C 2.226 178.768 176.600 -0.097 0.000 0.994 373 E CA 1.901 58.180 56.400 -0.201 0.000 0.800 373 E CB -0.483 29.018 29.700 -0.332 0.000 0.752 373 E HN 0.712 nan 8.360 nan 0.000 0.447 374 Y N -0.141 120.012 120.300 -0.246 0.000 2.145 374 Y HA -0.273 4.246 4.550 -0.052 0.000 0.286 374 Y C 2.999 178.844 175.900 -0.093 0.000 1.145 374 Y CA 0.417 58.316 58.100 -0.335 0.000 1.148 374 Y CB -0.446 37.511 38.460 -0.839 0.000 0.981 374 Y HN 0.331 nan 8.280 nan 0.000 0.507 375 C N 0.551 119.939 119.300 0.147 0.000 2.413 375 C HA -0.205 4.224 4.460 -0.052 0.000 0.276 375 C C 3.008 178.086 174.990 0.147 0.000 1.236 375 C CA 1.414 60.553 59.018 0.202 0.000 1.735 375 C CB -1.345 26.504 27.740 0.182 0.000 2.031 375 C HN 0.578 nan 8.230 nan 0.000 0.474 376 A N -0.068 122.807 122.820 0.092 0.000 1.902 376 A HA -0.226 4.063 4.320 -0.052 0.000 0.217 376 A C 2.249 179.884 177.584 0.085 0.000 1.181 376 A CA 1.997 54.079 52.037 0.074 0.000 0.623 376 A CB -0.977 18.046 19.000 0.039 0.000 0.818 376 A HN 0.828 nan 8.150 nan 0.000 0.443 377 E N -0.023 120.235 120.200 0.097 0.000 2.031 377 E HA -0.185 4.134 4.350 -0.052 0.000 0.193 377 E C 1.948 178.620 176.600 0.121 0.000 0.994 377 E CA 1.398 57.863 56.400 0.108 0.000 0.800 377 E CB -0.233 29.550 29.700 0.139 0.000 0.752 377 E HN 0.633 nan 8.360 nan 0.000 0.447 378 L N 0.476 121.793 121.223 0.156 0.000 2.141 378 L HA -0.104 4.205 4.340 -0.052 0.000 0.209 378 L C 2.277 179.238 176.870 0.151 0.000 1.094 378 L CA 0.568 55.506 54.840 0.163 0.000 0.763 378 L CB -0.123 42.069 42.059 0.221 0.000 0.908 378 L HN 0.220 nan 8.230 nan 0.000 0.437 379 L N -0.393 120.919 121.223 0.147 0.000 2.592 379 L HA 0.228 4.537 4.340 -0.052 0.000 0.227 379 L C 1.201 178.131 176.870 0.100 0.000 1.127 379 L CA 0.246 55.169 54.840 0.137 0.000 0.884 379 L CB -0.268 41.876 42.059 0.142 0.000 1.065 379 L HN 0.420 nan 8.230 nan 0.000 0.457 380 G N 1.314 110.166 108.800 0.087 0.000 2.221 380 G HA2 -0.267 3.662 3.960 -0.052 0.000 0.265 380 G HA3 -0.267 3.662 3.960 -0.052 0.000 0.265 380 G C -0.098 174.829 174.900 0.045 0.000 1.041 380 G CA 0.078 45.216 45.100 0.063 0.000 0.807 380 G HN 0.268 nan 8.290 nan 0.000 0.502 381 L N -0.590 120.661 121.223 0.047 0.000 2.334 381 L HA 0.529 4.838 4.340 -0.052 0.000 0.273 381 L C 0.294 177.182 176.870 0.029 0.000 1.013 381 L CA -1.180 53.680 54.840 0.033 0.000 0.816 381 L CB 1.623 43.703 42.059 0.037 0.000 1.278 381 L HN 0.189 nan 8.230 nan 0.000 0.431 382 D N 0.738 121.149 120.400 0.018 0.000 2.425 382 D HA 0.014 4.623 4.640 -0.052 0.000 0.247 382 D C 0.979 177.288 176.300 0.015 0.000 1.147 382 D CA 0.173 54.181 54.000 0.014 0.000 0.879 382 D CB 1.043 41.848 40.800 0.008 0.000 1.179 382 D HN 0.475 nan 8.370 nan 0.000 0.456 383 Q N 2.345 122.151 119.800 0.010 0.000 2.112 383 Q HA -0.234 4.075 4.340 -0.052 0.000 0.206 383 Q C 1.057 177.062 176.000 0.008 0.000 0.987 383 Q CA 1.772 57.578 55.803 0.004 0.000 0.858 383 Q CB -0.014 28.717 28.738 -0.011 0.000 0.905 383 Q HN 0.671 nan 8.270 nan 0.000 0.420 384 D N 0.223 120.626 120.400 0.006 0.000 2.149 384 D HA -0.148 4.461 4.640 -0.052 0.000 0.201 384 D C 1.286 177.593 176.300 0.012 0.000 0.972 384 D CA 1.024 55.028 54.000 0.008 0.000 0.835 384 D CB 0.054 40.856 40.800 0.003 0.000 0.966 384 D HN 0.097 nan 8.370 nan 0.000 0.476 385 D N -0.218 120.188 120.400 0.010 0.000 2.123 385 D HA -0.156 4.453 4.640 -0.052 0.000 0.196 385 D C 2.011 178.322 176.300 0.019 0.000 0.992 385 D CA 0.546 54.551 54.000 0.010 0.000 0.833 385 D CB -0.365 40.438 40.800 0.005 0.000 0.954 385 D HN 0.230 nan 8.370 nan 0.000 0.455 386 L N 0.978 122.218 121.223 0.028 0.000 2.027 386 L HA -0.091 4.218 4.340 -0.052 0.000 0.206 386 L C 2.288 179.198 176.870 0.066 0.000 1.074 386 L CA 1.623 56.491 54.840 0.048 0.000 0.745 386 L CB -0.489 41.602 42.059 0.053 0.000 0.898 386 L HN -0.122 nan 8.230 nan 0.000 0.433 387 R N -0.887 119.648 120.500 0.058 0.000 2.094 387 R HA -0.167 4.142 4.340 -0.052 0.000 0.239 387 R C 2.062 178.401 176.300 0.066 0.000 1.137 387 R CA 2.295 58.440 56.100 0.076 0.000 0.943 387 R CB -0.478 29.851 30.300 0.047 0.000 0.850 387 R HN 0.358 nan 8.270 nan 0.000 0.433 388 V N 0.405 120.340 119.914 0.035 0.000 2.358 388 V HA -0.198 3.891 4.120 -0.052 0.000 0.246 388 V C 2.271 178.368 176.094 0.006 0.000 1.047 388 V CA 2.100 64.409 62.300 0.015 0.000 1.035 388 V CB -0.272 31.554 31.823 0.006 0.000 0.658 388 V HN 0.392 nan 8.190 nan 0.000 0.452 389 S N -0.208 115.501 115.700 0.014 0.000 2.423 389 S HA -0.001 4.438 4.470 -0.052 0.000 0.231 389 S C 1.753 176.355 174.600 0.003 0.000 1.014 389 S CA 1.145 59.349 58.200 0.006 0.000 0.965 389 S CB -0.202 63.007 63.200 0.015 0.000 0.785 389 S HN 0.472 nan 8.310 nan 0.000 0.495 390 L N 0.990 122.232 121.223 0.032 0.000 2.446 390 L HA 0.057 4.366 4.340 -0.052 0.000 0.219 390 L C 2.108 178.889 176.870 -0.147 0.000 1.116 390 L CA 1.166 56.014 54.840 0.015 0.000 0.844 390 L CB -0.290 41.896 42.059 0.212 0.000 0.970 390 L HN 0.427 nan 8.230 nan 0.000 0.457 391 T N -5.461 109.040 114.554 -0.087 0.000 3.043 391 T HA 0.139 4.458 4.350 -0.052 0.000 0.272 391 T C 0.566 175.207 174.700 -0.098 0.000 0.990 391 T CA 0.236 62.258 62.100 -0.129 0.000 0.897 391 T CB 0.230 69.084 68.868 -0.024 0.000 1.111 391 T HN 0.203 nan 8.240 nan 0.000 0.529 392 T N -0.687 113.819 114.554 -0.080 0.000 2.864 392 T HA 0.741 5.060 4.350 -0.052 0.000 0.299 392 T C -1.410 173.240 174.700 -0.084 0.000 1.166 392 T CA -0.988 61.069 62.100 -0.072 0.000 1.007 392 T CB 2.974 71.816 68.868 -0.044 0.000 1.219 392 T HN 0.345 nan 8.240 nan 0.000 0.506 393 R N 1.235 121.683 120.500 -0.087 0.000 2.548 393 R HA 0.593 4.902 4.340 -0.052 0.000 0.280 393 R C -1.666 174.594 176.300 -0.068 0.000 1.061 393 R CA -0.705 55.337 56.100 -0.097 0.000 0.915 393 R CB 2.104 32.301 30.300 -0.172 0.000 1.210 393 R HN 0.654 nan 8.270 nan 0.000 0.442 394 V N 6.582 126.468 119.914 -0.047 0.000 2.470 394 V HA 0.279 4.368 4.120 -0.052 0.000 0.276 394 V C 0.625 176.703 176.094 -0.027 0.000 1.040 394 V CA 0.351 62.633 62.300 -0.030 0.000 1.008 394 V CB 0.678 32.491 31.823 -0.017 0.000 0.990 394 V HN 0.813 nan 8.190 nan 0.000 0.477 408 K N 6.778 127.167 120.400 -0.019 0.000 2.315 408 K HA 0.418 4.707 4.320 -0.052 0.000 0.291 408 K C -1.389 175.195 176.600 -0.028 0.000 1.074 408 K CA -0.174 56.098 56.287 -0.024 0.000 0.936 408 K CB 0.992 33.480 32.500 -0.020 0.000 1.049 408 K HN 0.419 nan 8.250 nan 0.000 0.471 409 V N 6.754 126.646 119.914 -0.037 0.000 2.547 409 V HA 0.446 4.535 4.120 -0.052 0.000 0.299 409 V C -2.407 173.657 176.094 -0.049 0.000 1.040 409 V CA -2.684 59.592 62.300 -0.039 0.000 0.913 409 V CB 1.708 33.506 31.823 -0.042 0.000 0.992 409 V HN 0.755 nan 8.190 nan 0.000 0.449 410 P HA 0.289 nan 4.420 nan 0.000 0.275 410 P C -0.844 176.416 177.300 -0.066 0.000 1.227 410 P CA -0.011 63.060 63.100 -0.050 0.000 0.781 410 P CB 0.467 32.146 31.700 -0.035 0.000 0.906 411 L N 2.975 124.143 121.223 -0.091 0.000 2.357 411 L HA 0.342 4.651 4.340 -0.052 0.000 0.273 411 L C 1.064 177.872 176.870 -0.104 0.000 1.080 411 L CA -0.964 53.809 54.840 -0.113 0.000 0.803 411 L CB 0.538 42.500 42.059 -0.163 0.000 1.174 411 L HN 0.228 nan 8.230 nan 0.000 0.443 412 K N 1.093 121.440 120.400 -0.089 0.000 2.138 412 K HA 0.126 4.415 4.320 -0.052 0.000 0.251 412 K C 1.120 177.661 176.600 -0.098 0.000 1.015 412 K CA -0.391 55.855 56.287 -0.068 0.000 0.917 412 K CB 1.073 33.547 32.500 -0.043 0.000 1.021 412 K HN 0.296 nan 8.250 nan 0.000 0.485 413 V N 1.633 121.515 119.914 -0.053 0.000 2.282 413 V HA -0.285 3.804 4.120 -0.052 0.000 0.249 413 V C 2.202 178.268 176.094 -0.047 0.000 1.057 413 V CA 1.933 64.214 62.300 -0.032 0.000 1.032 413 V CB -0.470 31.383 31.823 0.051 0.000 0.645 413 V HN 0.699 nan 8.190 nan 0.000 0.447 414 E N -0.537 119.650 120.200 -0.022 0.000 2.110 414 E HA -0.263 4.056 4.350 -0.052 0.000 0.193 414 E C 2.334 178.915 176.600 -0.033 0.000 0.988 414 E CA 1.314 57.711 56.400 -0.005 0.000 0.804 414 E CB -0.153 29.550 29.700 0.006 0.000 0.745 414 E HN 0.693 nan 8.360 nan 0.000 0.458 415 Q N 0.054 119.812 119.800 -0.071 0.000 2.167 415 Q HA -0.082 4.227 4.340 -0.052 0.000 0.202 415 Q C 2.174 178.079 176.000 -0.159 0.000 0.970 415 Q CA 1.059 56.812 55.803 -0.084 0.000 0.855 415 Q CB -0.049 28.633 28.738 -0.093 0.000 0.911 415 Q HN 0.204 nan 8.270 nan 0.000 0.438 416 A N 1.579 124.209 122.820 -0.317 0.000 1.873 416 A HA -0.206 4.083 4.320 -0.052 0.000 0.215 416 A C 1.775 179.091 177.584 -0.447 0.000 1.186 416 A CA 1.409 53.035 52.037 -0.684 0.000 0.616 416 A CB -0.480 17.654 19.000 -1.444 0.000 0.823 416 A HN 0.275 nan 8.150 nan 0.000 0.442 417 N N 0.969 119.587 118.700 -0.137 0.000 2.061 417 N HA -0.165 4.544 4.740 -0.052 0.000 0.193 417 N C 1.378 176.967 175.510 0.132 0.000 1.030 417 N CA 1.655 54.803 53.050 0.164 0.000 0.856 417 N CB -0.591 37.992 38.487 0.160 0.000 1.023 417 N HN 0.487 nan 8.380 nan 0.000 0.424 418 N N 0.920 119.657 118.700 0.062 0.000 2.188 418 N HA -0.039 4.670 4.740 -0.052 0.000 0.184 418 N C 1.660 177.233 175.510 0.105 0.000 1.018 418 N CA 1.098 54.199 53.050 0.085 0.000 0.858 418 N CB -0.455 38.074 38.487 0.070 0.000 0.989 418 N HN 0.251 nan 8.380 nan 0.000 0.426 419 A N 1.507 124.365 122.820 0.064 0.000 1.877 419 A HA -0.156 4.133 4.320 -0.052 0.000 0.216 419 A C 2.267 179.936 177.584 0.142 0.000 1.186 419 A CA 1.400 53.488 52.037 0.086 0.000 0.620 419 A CB -0.554 18.446 19.000 -0.001 0.000 0.822 419 A HN 0.249 nan 8.150 nan 0.000 0.443 420 R N -0.322 120.290 120.500 0.186 0.000 2.080 420 R HA -0.205 4.104 4.340 -0.052 0.000 0.236 420 R C 1.482 177.954 176.300 0.286 0.000 1.137 420 R CA 2.173 58.441 56.100 0.280 0.000 0.943 420 R CB -0.501 30.040 30.300 0.401 0.000 0.846 420 R HN 0.450 nan 8.270 nan 0.000 0.431 421 D N 0.160 120.720 120.400 0.267 0.000 2.144 421 D HA -0.101 4.508 4.640 -0.052 0.000 0.200 421 D C 1.748 178.146 176.300 0.164 0.000 0.978 421 D CA 1.446 55.583 54.000 0.229 0.000 0.833 421 D CB -0.295 40.609 40.800 0.172 0.000 0.961 421 D HN 0.418 nan 8.370 nan 0.000 0.470 422 A N 0.711 123.625 122.820 0.158 0.000 1.902 422 A HA -0.134 4.155 4.320 -0.052 0.000 0.217 422 A C 2.140 179.826 177.584 0.171 0.000 1.181 422 A CA 0.975 53.101 52.037 0.147 0.000 0.623 422 A CB -0.698 18.385 19.000 0.138 0.000 0.818 422 A HN 0.240 nan 8.150 nan 0.000 0.443 423 L N -0.200 121.131 121.223 0.180 0.000 2.017 423 L HA -0.055 4.254 4.340 -0.052 0.000 0.208 423 L C 2.687 179.699 176.870 0.237 0.000 1.073 423 L CA 2.189 57.142 54.840 0.187 0.000 0.745 423 L CB -0.853 41.305 42.059 0.165 0.000 0.894 423 L HN 0.346 nan 8.230 nan 0.000 0.432 424 A N -0.500 122.475 122.820 0.258 0.000 1.883 424 A HA -0.268 4.021 4.320 -0.052 0.000 0.217 424 A C 2.346 180.083 177.584 0.255 0.000 1.186 424 A CA 2.199 54.409 52.037 0.289 0.000 0.624 424 A CB -0.568 18.625 19.000 0.322 0.000 0.822 424 A HN 0.519 nan 8.150 nan 0.000 0.444 425 K N -1.023 119.490 120.400 0.188 0.000 2.057 425 K HA -0.092 4.197 4.320 -0.052 0.000 0.207 425 K C 2.113 178.879 176.600 0.277 0.000 1.049 425 K CA 1.786 58.192 56.287 0.198 0.000 0.931 425 K CB -0.397 32.187 32.500 0.140 0.000 0.714 425 K HN 0.500 nan 8.250 nan 0.000 0.440 426 T N 0.914 115.643 114.554 0.292 0.000 2.821 426 T HA -0.090 4.229 4.350 -0.052 0.000 0.267 426 T C 2.027 177.009 174.700 0.471 0.000 1.046 426 T CA 1.010 63.344 62.100 0.391 0.000 1.139 426 T CB -0.151 68.942 68.868 0.374 0.000 0.871 426 T HN -0.064 nan 8.240 nan 0.000 0.454 427 V N 0.432 120.604 119.914 0.429 0.000 2.261 427 V HA -0.181 3.908 4.120 -0.052 0.000 0.246 427 V C 2.027 178.313 176.094 0.320 0.000 1.047 427 V CA 1.663 64.216 62.300 0.421 0.000 1.015 427 V CB -0.685 31.363 31.823 0.375 0.000 0.642 427 V HN 0.480 nan 8.190 nan 0.000 0.446 428 Y N 0.544 120.987 120.300 0.239 0.000 2.181 428 Y HA -0.249 4.269 4.550 -0.052 0.000 0.288 428 Y C 2.937 178.922 175.900 0.141 0.000 1.146 428 Y CA 1.965 60.188 58.100 0.205 0.000 1.164 428 Y CB -0.319 38.281 38.460 0.233 0.000 0.982 428 Y HN 0.217 nan 8.280 nan 0.000 0.515 429 S N -0.945 114.904 115.700 0.247 0.000 2.368 429 S HA -0.234 4.205 4.470 -0.052 0.000 0.225 429 S C 1.970 176.529 174.600 -0.067 0.000 1.030 429 S CA 1.553 59.820 58.200 0.111 0.000 0.999 429 S CB -0.572 62.702 63.200 0.124 0.000 0.844 429 S HN 0.639 nan 8.310 nan 0.000 0.459 430 H N -0.027 118.959 119.070 -0.141 0.000 2.423 430 H HA -0.025 4.500 4.556 -0.051 0.000 0.297 430 H C 2.117 177.249 175.328 -0.327 0.000 1.075 430 H CA 1.414 57.257 56.048 -0.341 0.000 1.342 430 H CB -0.245 29.052 29.762 -0.776 0.000 1.395 430 H HN 0.327 nan 8.280 nan 0.000 0.530 431 L N 0.340 121.463 121.223 -0.168 0.000 2.046 431 L HA -0.141 4.168 4.340 -0.052 0.000 0.208 431 L C 2.328 178.974 176.870 -0.373 0.000 1.077 431 L CA 1.284 55.975 54.840 -0.248 0.000 0.747 431 L CB -0.860 41.060 42.059 -0.231 0.000 0.896 431 L HN 0.076 nan 8.230 nan 0.000 0.432 432 F N 0.214 119.815 119.950 -0.581 0.000 2.102 432 F HA -0.269 4.227 4.527 -0.053 0.000 0.298 432 F C 2.154 177.589 175.800 -0.607 0.000 1.105 432 F CA 1.763 59.386 58.000 -0.628 0.000 1.239 432 F CB -0.138 38.540 39.000 -0.536 0.000 0.991 432 F HN 0.193 nan 8.300 nan 0.000 0.474 433 D N -0.753 119.344 120.400 -0.505 0.000 2.133 433 D HA -0.274 4.335 4.640 -0.052 0.000 0.195 433 D C 2.180 178.152 176.300 -0.546 0.000 0.997 433 D CA 1.679 55.354 54.000 -0.542 0.000 0.840 433 D CB -0.887 39.731 40.800 -0.304 0.000 0.947 433 D HN 0.484 nan 8.370 nan 0.000 0.452 434 H N 0.734 119.495 119.070 -0.514 0.000 2.353 434 H HA -0.069 4.456 4.556 -0.051 0.000 0.300 434 H C 2.067 177.085 175.328 -0.517 0.000 1.090 434 H CA 1.122 56.892 56.048 -0.464 0.000 1.327 434 H CB -0.034 29.470 29.762 -0.429 0.000 1.383 434 H HN -0.052 nan 8.280 nan 0.000 0.508 435 V N 0.831 120.342 119.914 -0.672 0.000 2.287 435 V HA -0.246 3.843 4.120 -0.052 0.000 0.248 435 V C 2.973 178.603 176.094 -0.772 0.000 1.053 435 V CA 1.536 63.385 62.300 -0.752 0.000 1.027 435 V CB -0.568 30.724 31.823 -0.885 0.000 0.646 435 V HN 0.263 nan 8.190 nan 0.000 0.447 436 V N 0.391 119.735 119.914 -0.950 0.000 2.358 436 V HA -0.280 3.809 4.120 -0.052 0.000 0.246 436 V C 2.280 177.973 176.094 -0.669 0.000 1.047 436 V CA 2.368 64.148 62.300 -0.867 0.000 1.035 436 V CB -0.991 30.110 31.823 -1.204 0.000 0.658 436 V HN 0.684 nan 8.190 nan 0.000 0.452 437 N N 0.317 118.637 118.700 -0.634 0.000 2.104 437 N HA -0.272 4.437 4.740 -0.052 0.000 0.190 437 N C 2.100 177.290 175.510 -0.533 0.000 1.024 437 N CA 1.631 54.376 53.050 -0.509 0.000 0.853 437 N CB 0.003 38.240 38.487 -0.416 0.000 1.008 437 N HN 0.262 nan 8.380 nan 0.000 0.424 438 R N 1.038 121.146 120.500 -0.654 0.000 2.096 438 R HA -0.018 4.292 4.340 -0.052 0.000 0.235 438 R C 2.134 178.128 176.300 -0.510 0.000 1.127 438 R CA 1.027 56.779 56.100 -0.581 0.000 0.968 438 R CB -0.823 29.079 30.300 -0.664 0.000 0.861 438 R HN 0.082 nan 8.270 nan 0.000 0.440 439 V N 1.452 121.047 119.914 -0.533 0.000 2.295 439 V HA -0.270 3.819 4.120 -0.052 0.000 0.246 439 V C 1.763 177.305 176.094 -0.920 0.000 1.049 439 V CA 2.183 64.149 62.300 -0.557 0.000 1.024 439 V CB -0.628 30.972 31.823 -0.373 0.000 0.648 439 V HN 0.406 nan 8.190 nan 0.000 0.447 440 N N 0.066 118.322 118.700 -0.741 0.000 2.205 440 N HA -0.202 4.507 4.740 -0.052 0.000 0.186 440 N C 1.837 176.982 175.510 -0.609 0.000 1.015 440 N CA 1.258 53.891 53.050 -0.695 0.000 0.862 440 N CB -0.329 37.857 38.487 -0.502 0.000 0.986 440 N HN 0.614 nan 8.380 nan 0.000 0.429 441 Q N -0.314 119.183 119.800 -0.505 0.000 2.436 441 Q HA -0.023 4.286 4.340 -0.052 0.000 0.209 441 Q C 2.074 177.858 176.000 -0.360 0.000 0.965 441 Q CA 0.785 56.375 55.803 -0.356 0.000 0.910 441 Q CB -0.067 28.498 28.738 -0.289 0.000 0.980 441 Q HN 0.640 nan 8.270 nan 0.000 0.491 442 C N -0.845 118.123 119.300 -0.553 0.000 2.563 442 C HA 0.152 4.581 4.460 -0.052 0.000 0.268 442 C C 0.902 175.744 174.990 -0.247 0.000 1.365 442 C CA -0.765 58.018 59.018 -0.392 0.000 1.754 442 C CB -0.769 26.758 27.740 -0.356 0.000 1.932 442 C HN 0.385 nan 8.230 nan 0.000 0.536 443 F N 0.317 120.245 119.950 -0.036 0.000 2.623 443 F HA 0.613 5.110 4.527 -0.051 0.000 0.361 443 F C -2.755 173.097 175.800 0.086 0.000 1.469 443 F CA -3.845 54.163 58.000 0.015 0.000 1.126 443 F CB -0.933 38.074 39.000 0.011 0.000 1.221 443 F HN -0.092 nan 8.300 nan 0.000 0.536 444 P HA 0.431 nan 4.420 nan 0.000 0.276 444 P C -0.935 176.473 177.300 0.181 0.000 1.244 444 P CA -0.093 63.056 63.100 0.082 0.000 0.801 444 P CB 1.603 33.264 31.700 -0.064 0.000 1.006 445 F N -2.082 117.869 119.950 0.001 0.000 2.591 445 F HA 0.530 5.027 4.527 -0.052 0.000 0.309 445 F C 1.110 176.884 175.800 -0.044 0.000 1.098 445 F CA -1.099 56.889 58.000 -0.019 0.000 0.937 445 F CB 1.401 40.388 39.000 -0.023 0.000 1.250 445 F HN 0.332 nan 8.300 nan 0.000 0.447 446 E N 0.741 120.981 120.200 0.065 0.000 2.076 446 E HA 0.022 4.341 4.350 -0.052 0.000 0.190 446 E C -0.008 176.623 176.600 0.053 0.000 0.979 446 E CA 1.197 57.587 56.400 -0.016 0.000 0.807 446 E CB 0.331 30.036 29.700 0.008 0.000 0.761 446 E HN 0.732 nan 8.360 nan 0.000 0.454 447 T N -0.965 113.717 114.554 0.214 0.000 2.843 447 T HA 0.456 4.775 4.350 -0.052 0.000 0.302 447 T C -1.634 173.233 174.700 0.279 0.000 1.232 447 T CA -0.277 61.955 62.100 0.220 0.000 1.009 447 T CB 1.732 70.658 68.868 0.096 0.000 1.254 447 T HN 0.208 nan 8.240 nan 0.000 0.504 448 S N 0.904 116.730 115.700 0.211 0.000 2.570 448 S HA 0.585 5.024 4.470 -0.052 0.000 0.270 448 S C 0.417 175.039 174.600 0.038 0.000 1.149 448 S CA -0.569 57.707 58.200 0.126 0.000 0.837 448 S CB 1.529 64.826 63.200 0.161 0.000 1.124 448 S HN 0.521 nan 8.310 nan 0.000 0.465 449 S N -0.061 115.595 115.700 -0.074 0.000 2.412 449 S HA 0.368 4.807 4.470 -0.052 0.000 0.223 449 S C -0.643 173.494 174.600 -0.772 0.000 1.048 449 S CA 0.555 58.484 58.200 -0.452 0.000 0.954 449 S CB -0.372 62.541 63.200 -0.478 0.000 0.840 449 S HN 0.737 nan 8.310 nan 0.000 0.503 450 Y N -0.335 120.017 120.300 0.088 0.000 2.655 450 Y HA 0.582 5.102 4.550 -0.051 0.000 0.336 450 Y C -0.901 175.031 175.900 0.054 0.000 1.154 450 Y CA -1.953 56.142 58.100 -0.008 0.000 1.055 450 Y CB 1.105 39.470 38.460 -0.158 0.000 1.295 450 Y HN 0.164 nan 8.280 nan 0.000 0.465 451 F N -0.768 119.210 119.950 0.047 0.000 2.603 451 F HA 0.898 5.393 4.527 -0.053 0.000 0.317 451 F C -1.688 174.130 175.800 0.029 0.000 1.066 451 F CA -1.733 56.194 58.000 -0.123 0.000 0.941 451 F CB 1.264 39.841 39.000 -0.705 0.000 1.291 451 F HN 0.252 nan 8.300 nan 0.000 0.472 452 I N 1.972 122.742 120.570 0.333 0.000 2.389 452 I HA 0.599 4.738 4.170 -0.052 0.000 0.288 452 I C 0.144 176.417 176.117 0.259 0.000 0.999 452 I CA -0.788 60.648 61.300 0.227 0.000 1.129 452 I CB 1.627 39.770 38.000 0.238 0.000 1.288 452 I HN 0.958 nan 8.210 nan 0.000 0.444 453 G N 5.426 114.366 108.800 0.232 0.000 2.416 453 G HA2 0.646 4.575 3.960 -0.052 0.000 0.329 453 G HA3 0.646 4.575 3.960 -0.052 0.000 0.329 453 G C -0.974 173.792 174.900 -0.223 0.000 1.173 453 G CA -0.403 44.518 45.100 -0.299 0.000 0.929 453 G HN 0.326 nan 8.290 nan 0.000 0.475 454 V N 2.501 122.214 119.914 -0.335 0.000 2.448 454 V HA 0.419 4.508 4.120 -0.052 0.000 0.295 454 V C -0.453 175.697 176.094 0.094 0.000 1.025 454 V CA -0.852 61.429 62.300 -0.031 0.000 0.859 454 V CB 1.382 33.202 31.823 -0.005 0.000 0.988 454 V HN 0.658 nan 8.190 nan 0.000 0.431 455 L N 4.062 125.462 121.223 0.296 0.000 2.272 455 L HA 0.723 5.032 4.340 -0.052 0.000 0.289 455 L C -0.659 176.310 176.870 0.164 0.000 1.032 455 L CA 0.361 55.416 54.840 0.358 0.000 0.810 455 L CB 1.269 43.511 42.059 0.304 0.000 1.205 455 L HN 0.749 nan 8.230 nan 0.000 0.422 456 D N 5.313 125.789 120.400 0.127 0.000 2.389 456 D HA 0.315 4.924 4.640 -0.052 0.000 0.256 456 D C -0.569 175.734 176.300 0.005 0.000 1.239 456 D CA -0.314 53.710 54.000 0.041 0.000 0.925 456 D CB 0.560 41.359 40.800 -0.001 0.000 1.145 456 D HN 0.494 nan 8.370 nan 0.000 0.542 457 I N -0.456 120.123 120.570 0.014 0.000 2.918 457 I HA 0.840 4.979 4.170 -0.052 0.000 0.316 457 I C 0.277 176.394 176.117 -0.001 0.000 1.001 457 I CA -1.271 60.033 61.300 0.006 0.000 1.142 457 I CB 1.581 39.593 38.000 0.020 0.000 1.356 457 I HN 0.272 nan 8.210 nan 0.000 0.524 458 A N 2.594 125.427 122.820 0.022 0.000 2.492 458 A HA 0.564 4.853 4.320 -0.052 0.000 0.254 458 A C 0.472 178.097 177.584 0.068 0.000 1.091 458 A CA 0.187 52.252 52.037 0.046 0.000 0.768 458 A CB -0.607 18.447 19.000 0.091 0.000 1.028 458 A HN 1.048 nan 8.150 nan 0.000 0.498 459 G N 0.520 109.359 108.800 0.065 0.000 2.502 459 G HA2 0.459 4.388 3.960 -0.052 0.000 0.305 459 G HA3 0.459 4.388 3.960 -0.052 0.000 0.305 459 G C -0.200 174.765 174.900 0.108 0.000 1.190 459 G CA -0.741 44.418 45.100 0.098 0.000 0.933 459 G HN 0.722 nan 8.290 nan 0.000 0.503 460 F N 1.148 121.094 119.950 -0.008 0.000 2.604 460 F HA 0.187 4.693 4.527 -0.035 0.000 0.393 460 F C 0.875 176.612 175.800 -0.106 0.000 1.043 460 F CA 0.499 58.466 58.000 -0.055 0.000 1.227 460 F CB 0.357 39.303 39.000 -0.090 0.000 1.016 460 F HN 0.602 nan 8.300 nan 0.000 0.556 461 E N 6.003 125.784 120.200 -0.698 0.000 2.366 461 E HA 0.547 4.866 4.350 -0.052 0.000 0.278 461 E C -1.981 174.174 176.600 -0.741 0.000 0.923 461 E CA -0.995 55.014 56.400 -0.651 0.000 0.761 461 E CB 2.165 31.666 29.700 -0.331 0.000 1.231 461 E HN 0.564 nan 8.360 nan 0.000 0.443 462 Y N -0.024 119.747 120.300 -0.882 0.000 2.609 462 Y HA 0.775 5.292 4.550 -0.056 0.000 0.336 462 Y C -1.927 173.412 175.900 -0.935 0.000 1.129 462 Y CA -1.458 56.220 58.100 -0.703 0.000 1.040 462 Y CB 1.124 39.312 38.460 -0.454 0.000 1.310 462 Y HN 0.532 nan 8.280 nan 0.000 0.460 463 F N -0.127 119.938 119.950 0.193 0.000 2.790 463 F HA 0.482 4.981 4.527 -0.046 0.000 0.337 463 F C 1.265 177.138 175.800 0.122 0.000 1.163 463 F CA -1.102 56.967 58.000 0.114 0.000 0.997 463 F CB 1.470 40.511 39.000 0.068 0.000 1.437 463 F HN 0.607 nan 8.300 nan 0.000 0.512 464 E N -0.632 119.709 120.200 0.236 0.000 2.118 464 E HA -0.135 4.184 4.350 -0.052 0.000 0.195 464 E C -0.298 176.146 176.600 -0.259 0.000 0.992 464 E CA 1.185 57.547 56.400 -0.062 0.000 0.804 464 E CB -0.091 29.526 29.700 -0.138 0.000 0.741 464 E HN 0.279 nan 8.360 nan 0.000 0.458 465 H N 0.282 119.486 119.070 0.223 0.000 2.727 465 H HA 0.311 4.836 4.556 -0.051 0.000 0.330 465 H C -0.614 174.841 175.328 0.210 0.000 0.986 465 H CA -0.553 55.604 56.048 0.181 0.000 1.251 465 H CB 0.888 30.716 29.762 0.110 0.000 1.493 465 H HN -0.012 nan 8.280 nan 0.000 0.515 466 N N 1.385 120.251 118.700 0.278 0.000 2.372 466 N HA 0.239 4.948 4.740 -0.052 0.000 0.291 466 N C -0.118 175.639 175.510 0.411 0.000 1.024 466 N CA -0.195 53.035 53.050 0.300 0.000 0.873 466 N CB 2.881 41.410 38.487 0.070 0.000 1.206 466 N HN 0.436 nan 8.380 nan 0.000 0.486 467 S N 0.413 116.382 115.700 0.447 0.000 2.855 467 S HA 0.390 4.829 4.470 -0.052 0.000 0.308 467 S C 0.758 175.617 174.600 0.431 0.000 1.077 467 S CA -0.503 57.991 58.200 0.491 0.000 0.896 467 S CB 0.329 63.708 63.200 0.298 0.000 1.339 467 S HN 0.408 nan 8.310 nan 0.000 0.602 468 F N 1.934 121.794 119.950 -0.150 0.000 2.216 468 F HA 0.029 4.526 4.527 -0.049 0.000 0.300 468 F C 1.896 177.588 175.800 -0.180 0.000 1.085 468 F CA 2.028 59.646 58.000 -0.637 0.000 1.326 468 F CB -0.515 37.933 39.000 -0.920 0.000 1.027 468 F HN 0.600 nan 8.300 nan 0.000 0.497 469 E N -0.008 120.170 120.200 -0.036 0.000 2.058 469 E HA -0.253 4.066 4.350 -0.052 0.000 0.194 469 E C 2.084 178.675 176.600 -0.015 0.000 0.997 469 E CA 1.692 58.065 56.400 -0.046 0.000 0.801 469 E CB -0.381 29.360 29.700 0.068 0.000 0.746 469 E HN 0.368 nan 8.360 nan 0.000 0.450 470 Q N -0.547 119.348 119.800 0.158 0.000 2.119 470 Q HA -0.078 4.231 4.340 -0.052 0.000 0.201 470 Q C 1.858 178.010 176.000 0.254 0.000 0.972 470 Q CA 1.044 56.998 55.803 0.252 0.000 0.847 470 Q CB -0.382 28.605 28.738 0.415 0.000 0.903 470 Q HN 0.319 nan 8.270 nan 0.000 0.433 471 F N -0.169 119.803 119.950 0.038 0.000 2.102 471 F HA -0.268 4.231 4.527 -0.048 0.000 0.298 471 F C 1.874 177.500 175.800 -0.290 0.000 1.105 471 F CA 1.255 59.099 58.000 -0.261 0.000 1.239 471 F CB -0.393 38.339 39.000 -0.447 0.000 0.991 471 F HN 0.071 nan 8.300 nan 0.000 0.474 472 C N 0.565 119.551 119.300 -0.523 0.000 2.432 472 C HA -0.140 4.289 4.460 -0.052 0.000 0.277 472 C C 2.802 177.535 174.990 -0.427 0.000 1.249 472 C CA 1.045 59.543 59.018 -0.866 0.000 1.725 472 C CB -1.285 25.320 27.740 -1.892 0.000 2.028 472 C HN 0.520 nan 8.230 nan 0.000 0.477 473 I N 1.620 122.064 120.570 -0.210 0.000 2.163 473 I HA -0.218 3.921 4.170 -0.052 0.000 0.243 473 I C 2.137 178.252 176.117 -0.003 0.000 1.085 473 I CA 1.520 62.814 61.300 -0.010 0.000 1.347 473 I CB -0.543 37.479 38.000 0.037 0.000 1.044 473 I HN 0.406 nan 8.210 nan 0.000 0.408 474 N N 0.082 118.752 118.700 -0.051 0.000 2.244 474 N HA -0.223 4.486 4.740 -0.052 0.000 0.183 474 N C 1.749 177.295 175.510 0.060 0.000 1.016 474 N CA 1.101 54.125 53.050 -0.043 0.000 0.866 474 N CB -0.546 37.752 38.487 -0.316 0.000 0.980 474 N HN 0.413 nan 8.380 nan 0.000 0.430 475 Y N 1.380 121.585 120.300 -0.159 0.000 2.128 475 Y HA -0.227 4.293 4.550 -0.050 0.000 0.284 475 Y C 2.628 178.529 175.900 0.002 0.000 1.154 475 Y CA 1.064 59.090 58.100 -0.123 0.000 1.149 475 Y CB -0.972 37.282 38.460 -0.344 0.000 0.976 475 Y HN 0.160 nan 8.280 nan 0.000 0.505 476 C N 1.662 120.825 119.300 -0.229 0.000 2.413 476 C HA -0.203 4.226 4.460 -0.052 0.000 0.276 476 C C 2.614 177.544 174.990 -0.101 0.000 1.248 476 C CA 1.914 60.788 59.018 -0.239 0.000 1.742 476 C CB -1.629 26.096 27.740 -0.026 0.000 2.017 476 C HN 0.706 nan 8.230 nan 0.000 0.481 477 N N 0.223 118.953 118.700 0.050 0.000 2.166 477 N HA -0.118 4.591 4.740 -0.052 0.000 0.186 477 N C 1.655 177.248 175.510 0.137 0.000 1.019 477 N CA 1.202 54.352 53.050 0.167 0.000 0.856 477 N CB -0.369 38.327 38.487 0.349 0.000 0.993 477 N HN 0.638 nan 8.380 nan 0.000 0.426 478 E N 1.562 121.871 120.200 0.181 0.000 2.058 478 E HA -0.139 4.180 4.350 -0.052 0.000 0.194 478 E C 1.883 178.441 176.600 -0.070 0.000 0.997 478 E CA 0.969 57.427 56.400 0.098 0.000 0.801 478 E CB -0.108 29.742 29.700 0.249 0.000 0.746 478 E HN 0.299 nan 8.360 nan 0.000 0.450 479 K N 0.378 120.715 120.400 -0.105 0.000 2.057 479 K HA -0.083 4.206 4.320 -0.052 0.000 0.207 479 K C 2.171 178.744 176.600 -0.045 0.000 1.049 479 K CA 0.484 56.705 56.287 -0.111 0.000 0.931 479 K CB -0.307 32.041 32.500 -0.252 0.000 0.714 479 K HN 0.141 nan 8.250 nan 0.000 0.440 480 L N 1.224 122.416 121.223 -0.052 0.000 2.093 480 L HA -0.157 4.152 4.340 -0.052 0.000 0.208 480 L C 2.523 179.432 176.870 0.065 0.000 1.085 480 L CA 1.522 56.385 54.840 0.039 0.000 0.755 480 L CB -0.931 41.148 42.059 0.033 0.000 0.904 480 L HN 0.232 nan 8.230 nan 0.000 0.435 481 Q N 0.100 119.803 119.800 -0.162 0.000 2.124 481 Q HA -0.258 4.051 4.340 -0.052 0.000 0.202 481 Q C 2.120 178.053 176.000 -0.112 0.000 0.977 481 Q CA 1.766 57.379 55.803 -0.317 0.000 0.850 481 Q CB -0.132 27.950 28.738 -1.093 0.000 0.901 481 Q HN 0.375 nan 8.270 nan 0.000 0.429 482 Q N -0.671 119.089 119.800 -0.067 0.000 2.124 482 Q HA -0.142 4.167 4.340 -0.052 0.000 0.202 482 Q C 1.729 177.779 176.000 0.083 0.000 0.977 482 Q CA 1.795 57.611 55.803 0.021 0.000 0.850 482 Q CB -0.680 28.084 28.738 0.043 0.000 0.901 482 Q HN 0.542 nan 8.270 nan 0.000 0.429 483 F N -0.364 119.592 119.950 0.010 0.000 2.134 483 F HA -0.160 4.335 4.527 -0.053 0.000 0.299 483 F C 1.783 177.625 175.800 0.071 0.000 1.097 483 F CA 1.462 59.494 58.000 0.055 0.000 1.264 483 F CB -0.370 38.682 39.000 0.087 0.000 1.001 483 F HN 0.242 nan 8.300 nan 0.000 0.479 484 F N 1.669 121.528 119.950 -0.152 0.000 2.102 484 F HA -0.252 4.272 4.527 -0.004 0.000 0.298 484 F C 2.166 177.682 175.800 -0.473 0.000 1.105 484 F CA 2.089 59.800 58.000 -0.482 0.000 1.239 484 F CB -0.857 37.855 39.000 -0.480 0.000 0.991 484 F HN -0.082 nan 8.300 nan 0.000 0.474 485 N N 0.737 119.295 118.700 -0.236 0.000 2.104 485 N HA -0.249 4.460 4.740 -0.052 0.000 0.190 485 N C 1.932 177.225 175.510 -0.362 0.000 1.024 485 N CA 1.681 54.533 53.050 -0.330 0.000 0.853 485 N CB -0.758 37.696 38.487 -0.054 0.000 1.008 485 N HN 0.628 nan 8.380 nan 0.000 0.424 486 E N 0.489 120.536 120.200 -0.256 0.000 2.031 486 E HA -0.198 4.121 4.350 -0.052 0.000 0.193 486 E C 2.011 178.414 176.600 -0.329 0.000 0.994 486 E CA 0.984 57.259 56.400 -0.208 0.000 0.800 486 E CB 0.063 29.692 29.700 -0.118 0.000 0.752 486 E HN 0.043 nan 8.360 nan 0.000 0.447 487 R N 0.143 120.333 120.500 -0.517 0.000 2.073 487 R HA 0.002 4.311 4.340 -0.052 0.000 0.229 487 R C 2.067 178.076 176.300 -0.485 0.000 1.120 487 R CA 1.280 57.087 56.100 -0.490 0.000 0.967 487 R CB -0.104 29.828 30.300 -0.613 0.000 0.862 487 R HN 0.306 nan 8.270 nan 0.000 0.436 488 I N -0.638 119.477 120.570 -0.758 0.000 3.339 488 I HA 0.044 4.183 4.170 -0.052 0.000 0.285 488 I C 1.716 177.451 176.117 -0.635 0.000 1.201 488 I CA 0.685 61.509 61.300 -0.793 0.000 1.434 488 I CB -0.416 36.742 38.000 -1.403 0.000 1.152 488 I HN 0.140 nan 8.210 nan 0.000 0.443 489 L N -0.161 120.657 121.223 -0.675 0.000 2.425 489 L HA 0.076 4.385 4.340 -0.052 0.000 0.215 489 L C 2.409 179.088 176.870 -0.317 0.000 1.065 489 L CA 0.468 54.965 54.840 -0.570 0.000 0.842 489 L CB 0.015 41.467 42.059 -1.013 0.000 1.033 489 L HN 0.081 nan 8.230 nan 0.000 0.474 490 K N 0.716 120.973 120.400 -0.238 0.000 2.056 490 K HA -0.057 4.232 4.320 -0.052 0.000 0.205 490 K C 1.805 178.320 176.600 -0.143 0.000 1.035 490 K CA 0.854 57.094 56.287 -0.077 0.000 0.955 490 K CB 0.167 32.664 32.500 -0.005 0.000 0.769 490 K HN 0.135 nan 8.250 nan 0.000 0.447 491 E N 0.622 120.715 120.200 -0.179 0.000 2.153 491 E HA -0.221 4.098 4.350 -0.052 0.000 0.194 491 E C 1.836 178.300 176.600 -0.226 0.000 0.988 491 E CA 1.204 57.505 56.400 -0.165 0.000 0.811 491 E CB 0.077 29.688 29.700 -0.149 0.000 0.746 491 E HN 0.288 nan 8.360 nan 0.000 0.466 492 E N 1.167 121.178 120.200 -0.315 0.000 2.051 492 E HA -0.209 4.110 4.350 -0.052 0.000 0.192 492 E C 1.922 178.062 176.600 -0.766 0.000 0.991 492 E CA 1.457 57.559 56.400 -0.496 0.000 0.799 492 E CB 0.075 29.503 29.700 -0.452 0.000 0.748 492 E HN 0.242 nan 8.360 nan 0.000 0.449 493 Q N -0.216 119.305 119.800 -0.465 0.000 2.172 493 Q HA -0.119 4.190 4.340 -0.052 0.000 0.200 493 Q C 2.120 178.020 176.000 -0.166 0.000 0.964 493 Q CA 1.218 56.843 55.803 -0.297 0.000 0.855 493 Q CB -0.035 28.634 28.738 -0.115 0.000 0.918 493 Q HN 0.419 nan 8.270 nan 0.000 0.444 494 E N 0.692 120.805 120.200 -0.146 0.000 2.110 494 E HA -0.197 4.122 4.350 -0.052 0.000 0.193 494 E C 1.957 178.528 176.600 -0.049 0.000 0.988 494 E CA 0.738 57.096 56.400 -0.071 0.000 0.804 494 E CB -0.053 29.612 29.700 -0.058 0.000 0.745 494 E HN 0.143 nan 8.360 nan 0.000 0.458 495 L N 0.433 121.598 121.223 -0.097 0.000 2.017 495 L HA -0.209 4.100 4.340 -0.052 0.000 0.208 495 L C 1.988 178.917 176.870 0.098 0.000 1.073 495 L CA 1.749 56.593 54.840 0.006 0.000 0.745 495 L CB -0.681 41.383 42.059 0.010 0.000 0.894 495 L HN 0.214 nan 8.230 nan 0.000 0.432 496 Y N -0.848 119.424 120.300 -0.047 0.000 2.165 496 Y HA -0.364 4.153 4.550 -0.056 0.000 0.286 496 Y C 2.803 178.636 175.900 -0.112 0.000 1.155 496 Y CA 0.979 58.977 58.100 -0.169 0.000 1.164 496 Y CB -0.321 38.061 38.460 -0.129 0.000 0.978 496 Y HN 0.364 nan 8.280 nan 0.000 0.513 497 Q N 1.495 121.355 119.800 0.101 0.000 2.020 497 Q HA -0.227 4.082 4.340 -0.052 0.000 0.202 497 Q C 2.151 178.178 176.000 0.045 0.000 0.982 497 Q CA 2.094 57.929 55.803 0.053 0.000 0.838 497 Q CB -0.234 28.523 28.738 0.032 0.000 0.899 497 Q HN 0.315 nan 8.270 nan 0.000 0.423 498 K N -0.434 119.996 120.400 0.051 0.000 2.152 498 K HA -0.174 4.115 4.320 -0.052 0.000 0.206 498 K C 1.386 178.033 176.600 0.078 0.000 1.048 498 K CA 1.521 57.843 56.287 0.058 0.000 0.933 498 K CB 0.052 32.588 32.500 0.059 0.000 0.721 498 K HN 0.205 nan 8.250 nan 0.000 0.447 499 E N -0.526 119.731 120.200 0.095 0.000 2.478 499 E HA 0.017 4.336 4.350 -0.052 0.000 0.194 499 E C 0.666 177.299 176.600 0.055 0.000 1.045 499 E CA 0.757 57.229 56.400 0.120 0.000 0.868 499 E CB 0.584 30.413 29.700 0.214 0.000 0.885 499 E HN 0.581 nan 8.360 nan 0.000 0.505 500 G N 1.855 110.668 108.800 0.021 0.000 2.198 500 G HA2 -0.275 3.654 3.960 -0.052 0.000 0.257 500 G HA3 -0.275 3.654 3.960 -0.052 0.000 0.257 500 G C 0.808 175.681 174.900 -0.046 0.000 1.042 500 G CA 0.461 45.563 45.100 0.004 0.000 0.791 500 G HN 0.318 nan 8.290 nan 0.000 0.502 501 L N -0.035 121.119 121.223 -0.114 0.000 2.395 501 L HA 0.261 4.570 4.340 -0.052 0.000 0.218 501 L C 2.267 179.070 176.870 -0.112 0.000 1.130 501 L CA 0.734 55.449 54.840 -0.208 0.000 0.826 501 L CB -0.313 41.469 42.059 -0.461 0.000 0.941 501 L HN 1.072 nan 8.230 nan 0.000 0.451 502 G N 1.188 109.956 108.800 -0.054 0.000 2.295 502 G HA2 -0.246 3.683 3.960 -0.052 0.000 0.287 502 G HA3 -0.246 3.683 3.960 -0.052 0.000 0.287 502 G C 0.085 174.970 174.900 -0.024 0.000 1.055 502 G CA 0.109 45.195 45.100 -0.024 0.000 0.922 502 G HN 0.134 nan 8.290 nan 0.000 0.503 503 V N 0.946 120.843 119.914 -0.028 0.000 2.488 503 V HA 0.189 4.278 4.120 -0.052 0.000 0.277 503 V C 0.883 176.989 176.094 0.020 0.000 1.046 503 V CA -1.167 61.114 62.300 -0.031 0.000 0.986 503 V CB 0.982 32.751 31.823 -0.090 0.000 0.989 503 V HN 0.447 nan 8.190 nan 0.000 0.475 504 N N 3.827 122.533 118.700 0.010 0.000 2.357 504 N HA -0.047 4.662 4.740 -0.052 0.000 0.257 504 N C 0.180 175.712 175.510 0.038 0.000 1.250 504 N CA 0.393 53.460 53.050 0.028 0.000 0.862 504 N CB 0.349 38.852 38.487 0.026 0.000 1.066 504 N HN 0.805 nan 8.380 nan 0.000 0.468 505 E N 1.339 121.555 120.200 0.027 0.000 2.360 505 E HA 0.133 4.452 4.350 -0.052 0.000 0.269 505 E C -0.909 175.672 176.600 -0.032 0.000 1.022 505 E CA -0.386 55.993 56.400 -0.034 0.000 0.887 505 E CB 0.663 30.292 29.700 -0.119 0.000 0.990 505 E HN 0.162 nan 8.360 nan 0.000 0.426 506 V N 5.485 125.375 119.914 -0.040 0.000 2.347 506 V HA 0.177 4.266 4.120 -0.052 0.000 0.280 506 V C -0.626 175.478 176.094 0.017 0.000 1.021 506 V CA -0.565 61.759 62.300 0.039 0.000 0.847 506 V CB 0.914 32.780 31.823 0.070 0.000 0.990 506 V HN 0.695 nan 8.190 nan 0.000 0.444 507 H N 4.596 123.745 119.070 0.131 0.000 2.511 507 H HA 0.654 5.178 4.556 -0.053 0.000 0.346 507 H C -0.534 174.902 175.328 0.180 0.000 1.128 507 H CA -0.037 56.066 56.048 0.091 0.000 1.342 507 H CB 1.069 30.834 29.762 0.005 0.000 1.470 507 H HN 0.721 nan 8.280 nan 0.000 0.546 508 Y N -2.004 118.374 120.300 0.129 0.000 2.638 508 Y HA 0.525 5.052 4.550 -0.039 0.000 0.335 508 Y C -1.635 174.315 175.900 0.083 0.000 1.155 508 Y CA -1.564 56.591 58.100 0.090 0.000 1.046 508 Y CB 0.226 38.721 38.460 0.058 0.000 1.303 508 Y HN 0.298 nan 8.280 nan 0.000 0.460 509 V N 2.776 122.798 119.914 0.180 0.000 2.389 509 V HA 0.162 4.251 4.120 -0.052 0.000 0.264 509 V C -0.251 175.951 176.094 0.180 0.000 1.049 509 V CA -0.049 62.309 62.300 0.097 0.000 0.932 509 V CB 0.391 32.297 31.823 0.138 0.000 1.011 509 V HN 0.797 nan 8.190 nan 0.000 0.475 510 D N 3.844 124.268 120.400 0.041 0.000 2.329 510 D HA 0.173 4.782 4.640 -0.052 0.000 0.246 510 D C 0.911 177.302 176.300 0.152 0.000 1.111 510 D CA -0.296 53.785 54.000 0.136 0.000 0.941 510 D CB 0.946 41.766 40.800 0.033 0.000 1.169 510 D HN 0.602 nan 8.370 nan 0.000 0.441 511 N N 1.864 120.660 118.700 0.160 0.000 2.204 511 N HA -0.051 4.658 4.740 -0.052 0.000 0.219 511 N C 0.921 176.524 175.510 0.155 0.000 1.151 511 N CA -0.073 53.081 53.050 0.173 0.000 0.867 511 N CB 0.330 38.920 38.487 0.172 0.000 1.043 511 N HN 0.295 nan 8.380 nan 0.000 0.516 512 Q N 1.852 121.729 119.800 0.129 0.000 2.181 512 Q HA -0.173 4.136 4.340 -0.052 0.000 0.205 512 Q C 1.138 177.227 176.000 0.149 0.000 0.980 512 Q CA 2.117 57.995 55.803 0.124 0.000 0.862 512 Q CB -0.209 28.588 28.738 0.098 0.000 0.905 512 Q HN 0.530 nan 8.270 nan 0.000 0.429 513 D N -0.981 119.519 120.400 0.166 0.000 2.178 513 D HA -0.175 4.434 4.640 -0.052 0.000 0.201 513 D C 1.882 178.349 176.300 0.278 0.000 0.980 513 D CA 1.191 55.326 54.000 0.225 0.000 0.842 513 D CB -1.154 39.770 40.800 0.207 0.000 0.948 513 D HN 0.365 nan 8.370 nan 0.000 0.472 514 C N 0.159 119.595 119.300 0.226 0.000 2.466 514 C HA 0.078 4.507 4.460 -0.052 0.000 0.278 514 C C 2.896 177.962 174.990 0.126 0.000 1.288 514 C CA 0.039 59.150 59.018 0.156 0.000 1.722 514 C CB -1.302 26.543 27.740 0.174 0.000 2.017 514 C HN 0.314 nan 8.230 nan 0.000 0.488 515 I N 1.160 121.833 120.570 0.172 0.000 2.163 515 I HA -0.194 3.945 4.170 -0.052 0.000 0.243 515 I C 2.172 178.383 176.117 0.157 0.000 1.085 515 I CA 1.971 63.392 61.300 0.202 0.000 1.347 515 I CB -0.601 37.514 38.000 0.192 0.000 1.044 515 I HN 0.332 nan 8.210 nan 0.000 0.408 516 D N 0.695 121.181 120.400 0.143 0.000 2.117 516 D HA -0.185 4.424 4.640 -0.052 0.000 0.197 516 D C 2.023 178.369 176.300 0.076 0.000 0.987 516 D CA 1.067 55.146 54.000 0.132 0.000 0.829 516 D CB -0.448 40.450 40.800 0.163 0.000 0.961 516 D HN 0.193 nan 8.370 nan 0.000 0.460 517 L N 0.706 121.919 121.223 -0.017 0.000 2.043 517 L HA -0.167 4.142 4.340 -0.052 0.000 0.212 517 L C 2.000 178.731 176.870 -0.232 0.000 1.075 517 L CA 1.544 56.195 54.840 -0.315 0.000 0.752 517 L CB -0.391 41.303 42.059 -0.609 0.000 0.891 517 L HN 0.016 nan 8.230 nan 0.000 0.432 518 I N -0.568 119.939 120.570 -0.105 0.000 2.339 518 I HA -0.164 3.975 4.170 -0.052 0.000 0.245 518 I C 2.113 178.187 176.117 -0.071 0.000 1.096 518 I CA 1.453 62.700 61.300 -0.089 0.000 1.408 518 I CB -0.232 37.642 38.000 -0.210 0.000 1.092 518 I HN 0.440 nan 8.210 nan 0.000 0.423 519 E N 1.352 121.543 120.200 -0.016 0.000 2.526 519 E HA 0.328 4.647 4.350 -0.052 0.000 0.208 519 E C 0.693 177.347 176.600 0.089 0.000 0.997 519 E CA -0.289 56.130 56.400 0.031 0.000 0.961 519 E CB 0.270 30.042 29.700 0.119 0.000 1.030 519 E HN 0.220 nan 8.360 nan 0.000 0.483 520 A N 2.034 124.913 122.820 0.097 0.000 2.531 520 A HA 0.108 4.397 4.320 -0.052 0.000 0.236 520 A C 0.149 177.795 177.584 0.102 0.000 1.062 520 A CA -0.213 51.890 52.037 0.109 0.000 0.760 520 A CB 0.103 19.180 19.000 0.128 0.000 0.995 520 A HN 0.269 nan 8.150 nan 0.000 0.501 521 R N 1.284 121.839 120.500 0.092 0.000 2.522 521 R HA 0.271 4.580 4.340 -0.052 0.000 0.284 521 R C 0.580 176.927 176.300 0.078 0.000 1.032 521 R CA 0.383 56.533 56.100 0.084 0.000 1.049 521 R CB -0.038 30.307 30.300 0.074 0.000 0.956 521 R HN 0.852 nan 8.270 nan 0.000 0.422 522 L N 0.925 122.196 121.223 0.079 0.000 3.888 522 L HA -0.417 3.892 4.340 -0.052 0.000 0.362 522 L C 1.626 178.536 176.870 0.066 0.000 0.963 522 L CA 1.717 56.598 54.840 0.069 0.000 2.926 522 L CB -1.540 40.549 42.059 0.051 0.000 0.851 522 L HN 0.625 nan 8.230 nan 0.000 0.728 523 V N -2.753 117.199 119.914 0.064 0.000 3.471 523 V HA 0.429 4.518 4.120 -0.052 0.000 0.258 523 V C 1.344 177.536 176.094 0.164 0.000 1.192 523 V CA 0.739 63.061 62.300 0.036 0.000 1.116 523 V CB -0.174 31.631 31.823 -0.030 0.000 0.792 523 V HN 0.373 nan 8.190 nan 0.000 0.459 524 G N 0.001 108.904 108.800 0.172 0.000 2.594 524 G HA2 0.359 4.288 3.960 -0.052 0.000 0.243 524 G HA3 0.359 4.288 3.960 -0.052 0.000 0.243 524 G C 0.722 175.720 174.900 0.163 0.000 1.229 524 G CA -0.128 45.073 45.100 0.169 0.000 0.843 524 G HN 0.268 nan 8.290 nan 0.000 0.578 525 I N 0.586 121.211 120.570 0.092 0.000 2.194 525 I HA -0.229 3.910 4.170 -0.052 0.000 0.246 525 I C 2.628 178.904 176.117 0.266 0.000 1.093 525 I CA 1.039 62.422 61.300 0.139 0.000 1.355 525 I CB -0.236 37.791 38.000 0.045 0.000 1.046 525 I HN 0.433 nan 8.210 nan 0.000 0.413 526 L N 0.117 121.465 121.223 0.209 0.000 2.046 526 L HA -0.246 4.063 4.340 -0.052 0.000 0.208 526 L C 2.063 179.042 176.870 0.183 0.000 1.077 526 L CA 1.356 56.319 54.840 0.206 0.000 0.747 526 L CB -0.699 41.443 42.059 0.138 0.000 0.896 526 L HN 0.242 nan 8.230 nan 0.000 0.432 527 D N 0.004 120.501 120.400 0.163 0.000 2.183 527 D HA -0.075 4.534 4.640 -0.052 0.000 0.203 527 D C 2.278 178.671 176.300 0.155 0.000 0.969 527 D CA 0.935 55.024 54.000 0.149 0.000 0.842 527 D CB 0.026 40.901 40.800 0.125 0.000 0.957 527 D HN 0.268 nan 8.370 nan 0.000 0.484 528 I N 0.126 120.811 120.570 0.193 0.000 2.315 528 I HA -0.212 3.927 4.170 -0.052 0.000 0.248 528 I C 2.168 178.461 176.117 0.294 0.000 1.117 528 I CA 0.405 61.844 61.300 0.231 0.000 1.404 528 I CB -0.055 38.082 38.000 0.228 0.000 1.071 528 I HN 0.037 nan 8.210 nan 0.000 0.419 529 L N 0.991 122.366 121.223 0.253 0.000 2.017 529 L HA -0.239 4.070 4.340 -0.052 0.000 0.208 529 L C 1.927 178.741 176.870 -0.094 0.000 1.073 529 L CA 2.041 56.791 54.840 -0.150 0.000 0.745 529 L CB -0.798 41.029 42.059 -0.387 0.000 0.894 529 L HN 0.152 nan 8.230 nan 0.000 0.432 530 D N -0.427 120.005 120.400 0.052 0.000 2.116 530 D HA -0.268 4.341 4.640 -0.052 0.000 0.193 530 D C 2.092 178.364 176.300 -0.046 0.000 0.998 530 D CA 1.573 55.637 54.000 0.108 0.000 0.836 530 D CB -0.081 40.872 40.800 0.255 0.000 0.951 530 D HN 0.568 nan 8.370 nan 0.000 0.449 531 E N 0.301 120.518 120.200 0.029 0.000 2.085 531 E HA -0.261 4.058 4.350 -0.052 0.000 0.194 531 E C 1.827 178.411 176.600 -0.027 0.000 0.994 531 E CA 1.252 57.665 56.400 0.021 0.000 0.801 531 E CB 0.061 29.808 29.700 0.079 0.000 0.743 531 E HN 0.058 nan 8.360 nan 0.000 0.453 532 E N 0.792 120.986 120.200 -0.009 0.000 2.077 532 E HA -0.181 4.138 4.350 -0.052 0.000 0.193 532 E C 1.618 178.111 176.600 -0.179 0.000 0.989 532 E CA 1.862 58.248 56.400 -0.023 0.000 0.800 532 E CB -0.233 29.495 29.700 0.045 0.000 0.746 532 E HN 0.320 nan 8.360 nan 0.000 0.452 533 N N -0.447 118.037 118.700 -0.360 0.000 2.272 533 N HA -0.119 4.590 4.740 -0.052 0.000 0.185 533 N C 1.309 176.511 175.510 -0.514 0.000 1.014 533 N CA 1.134 53.827 53.050 -0.595 0.000 0.870 533 N CB -0.002 37.679 38.487 -1.343 0.000 0.975 533 N HN 0.076 nan 8.380 nan 0.000 0.433 534 R N -0.272 120.001 120.500 -0.379 0.000 2.312 534 R HA 0.225 4.534 4.340 -0.052 0.000 0.205 534 R C -0.039 176.192 176.300 -0.116 0.000 0.904 534 R CA -0.120 55.852 56.100 -0.214 0.000 1.052 534 R CB 0.273 30.498 30.300 -0.126 0.000 1.014 534 R HN 0.150 nan 8.270 nan 0.000 0.503 535 L N 1.202 122.356 121.223 -0.115 0.000 2.464 535 L HA 0.107 4.416 4.340 -0.052 0.000 0.264 535 L C -1.282 175.537 176.870 -0.086 0.000 1.199 535 L CA -1.615 53.172 54.840 -0.090 0.000 0.818 535 L CB 0.451 42.445 42.059 -0.108 0.000 1.102 535 L HN -0.158 nan 8.230 nan 0.000 0.473 536 P HA -0.151 nan 4.420 nan 0.000 0.215 536 P C -0.258 177.005 177.300 -0.062 0.000 1.153 536 P CA 1.351 64.416 63.100 -0.057 0.000 0.853 536 P CB 0.220 31.890 31.700 -0.050 0.000 0.788 537 Q N -0.828 118.923 119.800 -0.083 0.000 2.907 537 Q HA 0.335 4.644 4.340 -0.052 0.000 0.262 537 Q C -2.505 173.442 176.000 -0.088 0.000 0.997 537 Q CA -1.788 53.970 55.803 -0.075 0.000 0.797 537 Q CB 0.511 29.208 28.738 -0.068 0.000 1.228 537 Q HN 0.220 nan 8.270 nan 0.000 0.466 538 P HA 0.058 nan 4.420 nan 0.000 0.265 538 P C -0.377 176.904 177.300 -0.032 0.000 1.193 538 P CA 0.322 63.379 63.100 -0.072 0.000 0.765 538 P CB 0.776 32.419 31.700 -0.095 0.000 0.823 539 S N 1.504 117.214 115.700 0.016 0.000 2.614 539 S HA 0.223 4.662 4.470 -0.052 0.000 0.275 539 S C 0.572 175.252 174.600 0.133 0.000 1.161 539 S CA -0.702 57.536 58.200 0.064 0.000 0.969 539 S CB 0.774 64.019 63.200 0.074 0.000 1.059 539 S HN 0.238 nan 8.310 nan 0.000 0.482 540 D N 3.330 123.794 120.400 0.107 0.000 2.123 540 D HA -0.122 4.487 4.640 -0.052 0.000 0.196 540 D C 1.578 177.990 176.300 0.186 0.000 0.992 540 D CA 1.667 55.763 54.000 0.160 0.000 0.833 540 D CB 0.061 40.916 40.800 0.093 0.000 0.954 540 D HN 0.634 nan 8.370 nan 0.000 0.455 541 Q N -0.429 119.443 119.800 0.120 0.000 2.084 541 Q HA -0.131 4.178 4.340 -0.052 0.000 0.202 541 Q C 2.121 178.179 176.000 0.097 0.000 0.978 541 Q CA 0.976 56.830 55.803 0.085 0.000 0.844 541 Q CB -0.399 28.379 28.738 0.067 0.000 0.898 541 Q HN 0.501 nan 8.270 nan 0.000 0.426 542 H N -0.505 118.598 119.070 0.056 0.000 2.321 542 H HA -0.172 4.353 4.556 -0.051 0.000 0.300 542 H C 1.912 177.279 175.328 0.065 0.000 1.087 542 H CA 1.719 57.796 56.048 0.049 0.000 1.319 542 H CB -0.240 29.550 29.762 0.047 0.000 1.379 542 H HN 0.385 nan 8.280 nan 0.000 0.501 543 F N 1.536 121.518 119.950 0.053 0.000 2.095 543 F HA -0.236 4.260 4.527 -0.053 0.000 0.298 543 F C 2.375 178.140 175.800 -0.059 0.000 1.104 543 F CA 2.229 60.224 58.000 -0.008 0.000 1.232 543 F CB -0.589 38.417 39.000 0.010 0.000 0.987 543 F HN 0.033 nan 8.300 nan 0.000 0.475 544 T N -0.268 114.029 114.554 -0.429 0.000 2.746 544 T HA -0.166 4.153 4.350 -0.052 0.000 0.267 544 T C 2.114 176.633 174.700 -0.302 0.000 1.039 544 T CA 1.567 63.357 62.100 -0.517 0.000 1.142 544 T CB -0.516 68.239 68.868 -0.188 0.000 0.866 544 T HN 0.295 nan 8.240 nan 0.000 0.444 545 S N 1.442 117.046 115.700 -0.160 0.000 2.368 545 S HA -0.050 4.389 4.470 -0.052 0.000 0.225 545 S C 2.600 177.100 174.600 -0.167 0.000 1.030 545 S CA 0.974 59.118 58.200 -0.093 0.000 0.999 545 S CB -0.587 62.551 63.200 -0.105 0.000 0.844 545 S HN 0.605 nan 8.310 nan 0.000 0.459 546 A N 1.156 123.806 122.820 -0.283 0.000 1.902 546 A HA -0.063 4.226 4.320 -0.052 0.000 0.217 546 A C 2.344 179.796 177.584 -0.221 0.000 1.181 546 A CA 1.561 53.450 52.037 -0.247 0.000 0.623 546 A CB -0.965 17.897 19.000 -0.229 0.000 0.818 546 A HN 0.338 nan 8.150 nan 0.000 0.443 547 V N -0.324 119.370 119.914 -0.367 0.000 2.287 547 V HA -0.337 3.752 4.120 -0.052 0.000 0.248 547 V C 2.349 178.306 176.094 -0.228 0.000 1.053 547 V CA 2.573 64.654 62.300 -0.364 0.000 1.027 547 V CB -1.142 30.219 31.823 -0.770 0.000 0.646 547 V HN 0.765 nan 8.190 nan 0.000 0.447 548 H N -0.740 118.248 119.070 -0.136 0.000 2.357 548 H HA -0.174 4.351 4.556 -0.052 0.000 0.301 548 H C 2.416 177.714 175.328 -0.049 0.000 1.082 548 H CA 1.768 57.774 56.048 -0.070 0.000 1.342 548 H CB 0.006 29.728 29.762 -0.066 0.000 1.389 548 H HN 0.426 nan 8.280 nan 0.000 0.511 549 Q N 1.418 121.235 119.800 0.029 0.000 2.050 549 Q HA -0.182 4.127 4.340 -0.052 0.000 0.202 549 Q C 1.547 177.511 176.000 -0.060 0.000 0.980 549 Q CA 1.545 57.337 55.803 -0.019 0.000 0.840 549 Q CB 0.072 28.778 28.738 -0.054 0.000 0.898 549 Q HN 0.395 nan 8.270 nan 0.000 0.424 550 K N -0.820 119.503 120.400 -0.129 0.000 2.432 550 K HA -0.044 4.245 4.320 -0.052 0.000 0.196 550 K C 0.488 176.825 176.600 -0.437 0.000 1.038 550 K CA 0.520 56.644 56.287 -0.272 0.000 0.986 550 K CB 0.234 32.532 32.500 -0.337 0.000 0.782 550 K HN 0.307 nan 8.250 nan 0.000 0.485 551 H N 0.337 119.389 119.070 -0.031 0.000 2.505 551 H HA 0.155 4.681 4.556 -0.050 0.000 0.260 551 H C -0.459 174.907 175.328 0.063 0.000 1.168 551 H CA -0.354 55.700 56.048 0.011 0.000 0.945 551 H CB 0.335 30.045 29.762 -0.087 0.000 1.800 551 H HN -0.109 nan 8.280 nan 0.000 0.586 552 K N 1.828 122.290 120.400 0.104 0.000 2.491 552 K HA -0.103 4.186 4.320 -0.052 0.000 0.279 552 K C 0.249 176.917 176.600 0.113 0.000 1.026 552 K CA 0.735 57.077 56.287 0.091 0.000 1.070 552 K CB 0.433 32.959 32.500 0.044 0.000 0.887 552 K HN 0.450 nan 8.250 nan 0.000 0.481 553 D N 0.038 120.507 120.400 0.115 0.000 2.911 553 D HA -0.212 4.397 4.640 -0.052 0.000 0.199 553 D C 0.167 176.559 176.300 0.155 0.000 1.041 553 D CA 1.077 55.143 54.000 0.110 0.000 1.013 553 D CB -1.474 39.369 40.800 0.071 0.000 1.093 553 D HN 0.796 nan 8.370 nan 0.000 0.431 554 H N -0.237 118.897 119.070 0.108 0.000 3.070 554 H HA 0.082 4.607 4.556 -0.053 0.000 0.313 554 H C 1.408 176.812 175.328 0.127 0.000 0.997 554 H CA 0.257 56.379 56.048 0.124 0.000 1.438 554 H CB 0.139 29.969 29.762 0.113 0.000 1.455 554 H HN 0.008 nan 8.280 nan 0.000 0.575 555 F N 4.384 124.353 119.950 0.032 0.000 2.250 555 F HA -0.132 4.361 4.527 -0.056 0.000 0.301 555 F C 1.439 177.344 175.800 0.175 0.000 1.077 555 F CA 1.184 59.231 58.000 0.079 0.000 1.348 555 F CB 0.175 39.171 39.000 -0.007 0.000 1.040 555 F HN 0.515 nan 8.300 nan 0.000 0.509 556 R N 0.124 120.779 120.500 0.258 0.000 2.317 556 R HA 0.230 4.539 4.340 -0.052 0.000 0.208 556 R C -0.456 175.771 176.300 -0.120 0.000 0.914 556 R CA 0.014 56.095 56.100 -0.032 0.000 1.060 556 R CB -0.351 30.015 30.300 0.110 0.000 1.015 556 R HN 0.248 nan 8.270 nan 0.000 0.498 557 L N -0.370 120.817 121.223 -0.061 0.000 2.365 557 L HA 0.498 4.807 4.340 -0.052 0.000 0.273 557 L C -0.630 176.247 176.870 0.011 0.000 1.000 557 L CA -0.270 54.521 54.840 -0.081 0.000 0.819 557 L CB 2.232 44.189 42.059 -0.169 0.000 1.284 557 L HN -0.145 nan 8.230 nan 0.000 0.418 558 S N 3.337 119.075 115.700 0.064 0.000 2.685 558 S HA 0.729 5.168 4.470 -0.052 0.000 0.282 558 S C -0.938 173.761 174.600 0.166 0.000 1.159 558 S CA -0.802 57.446 58.200 0.080 0.000 0.833 558 S CB 1.090 64.299 63.200 0.015 0.000 1.151 558 S HN 0.650 nan 8.310 nan 0.000 0.485 559 I N 0.268 120.868 120.570 0.049 0.000 2.488 559 I HA 0.537 4.676 4.170 -0.052 0.000 0.299 559 I C -2.167 173.957 176.117 0.011 0.000 0.984 559 I CA -2.472 58.822 61.300 -0.010 0.000 1.250 559 I CB 1.277 39.156 38.000 -0.202 0.000 1.389 559 I HN 0.343 nan 8.210 nan 0.000 0.488 560 P HA -0.196 nan 4.420 nan 0.000 0.217 560 P C 1.255 178.563 177.300 0.013 0.000 1.148 560 P CA 1.684 64.786 63.100 0.002 0.000 0.828 560 P CB -0.088 31.613 31.700 0.003 0.000 0.783 561 R N -0.040 120.459 120.500 -0.002 0.000 2.237 561 R HA -0.022 4.287 4.340 -0.052 0.000 0.219 561 R C 1.286 177.586 176.300 0.001 0.000 1.080 561 R CA 1.087 57.187 56.100 0.000 0.000 0.995 561 R CB -0.722 29.570 30.300 -0.014 0.000 0.875 561 R HN 0.102 nan 8.270 nan 0.000 0.462 562 K N 1.234 121.632 120.400 -0.003 0.000 2.417 562 K HA 0.108 4.397 4.320 -0.052 0.000 0.196 562 K C 0.335 176.937 176.600 0.003 0.000 1.023 562 K CA 0.042 56.327 56.287 -0.002 0.000 1.122 562 K CB 0.626 33.122 32.500 -0.007 0.000 0.850 562 K HN 0.113 nan 8.250 nan 0.000 0.521 563 S N 1.326 117.035 115.700 0.016 0.000 2.573 563 S HA 0.030 4.469 4.470 -0.052 0.000 0.277 563 S C 1.114 175.729 174.600 0.025 0.000 1.346 563 S CA -0.079 58.139 58.200 0.030 0.000 1.034 563 S CB 0.841 64.103 63.200 0.103 0.000 0.879 563 S HN 0.178 nan 8.310 nan 0.000 0.528 564 K N 2.091 122.501 120.400 0.016 0.000 2.288 564 K HA 0.128 4.417 4.320 -0.052 0.000 0.201 564 K C -0.015 176.583 176.600 -0.003 0.000 1.048 564 K CA 0.638 56.926 56.287 0.002 0.000 0.956 564 K CB -0.156 32.338 32.500 -0.011 0.000 0.746 564 K HN 0.509 nan 8.250 nan 0.000 0.461 565 L N 0.286 121.517 121.223 0.013 0.000 2.295 565 L HA 0.243 4.552 4.340 -0.052 0.000 0.285 565 L C 1.278 178.096 176.870 -0.087 0.000 1.035 565 L CA -0.588 54.221 54.840 -0.053 0.000 0.806 565 L CB 1.602 43.592 42.059 -0.115 0.000 1.214 565 L HN -0.012 nan 8.230 nan 0.000 0.426 566 A N 3.803 126.566 122.820 -0.094 0.000 1.917 566 A HA -0.221 4.068 4.320 -0.052 0.000 0.219 566 A C 2.001 179.511 177.584 -0.123 0.000 1.182 566 A CA 1.811 53.799 52.037 -0.082 0.000 0.633 566 A CB -0.614 18.346 19.000 -0.066 0.000 0.819 566 A HN 0.850 nan 8.150 nan 0.000 0.448 567 I N -1.114 119.314 120.570 -0.237 0.000 2.530 567 I HA -0.300 3.839 4.170 -0.052 0.000 0.257 567 I C 1.856 177.817 176.117 -0.260 0.000 1.179 567 I CA 1.703 62.826 61.300 -0.295 0.000 1.440 567 I CB -0.119 37.630 38.000 -0.419 0.000 1.087 567 I HN 0.547 nan 8.210 nan 0.000 0.440 568 H N -0.873 118.163 119.070 -0.057 0.000 2.592 568 H HA 0.180 4.705 4.556 -0.053 0.000 0.265 568 H C 1.829 177.139 175.328 -0.030 0.000 0.955 568 H CA -0.248 55.770 56.048 -0.049 0.000 1.175 568 H CB 0.241 29.963 29.762 -0.066 0.000 1.433 568 H HN 0.131 nan 8.280 nan 0.000 0.537 569 R N 0.763 121.298 120.500 0.059 0.000 2.193 569 R HA -0.036 4.273 4.340 -0.052 0.000 0.229 569 R C 0.495 176.809 176.300 0.024 0.000 1.110 569 R CA 0.697 56.816 56.100 0.032 0.000 0.988 569 R CB -0.011 30.293 30.300 0.007 0.000 0.871 569 R HN 0.397 nan 8.270 nan 0.000 0.458 570 N N 0.497 119.214 118.700 0.028 0.000 2.236 570 N HA 0.138 4.847 4.740 -0.052 0.000 0.196 570 N C 0.237 175.764 175.510 0.029 0.000 1.114 570 N CA 0.046 53.110 53.050 0.023 0.000 0.859 570 N CB 0.540 39.039 38.487 0.019 0.000 0.982 570 N HN 0.142 nan 8.380 nan 0.000 0.493 571 I N 1.943 122.538 120.570 0.041 0.000 2.533 571 I HA 0.029 4.168 4.170 -0.052 0.000 0.284 571 I C 0.794 176.918 176.117 0.013 0.000 1.109 571 I CA -0.171 61.150 61.300 0.034 0.000 1.412 571 I CB 0.546 38.572 38.000 0.043 0.000 1.396 571 I HN -0.225 nan 8.210 nan 0.000 0.543 572 R N 4.101 124.605 120.500 0.006 0.000 2.738 572 R HA 0.028 4.337 4.340 -0.052 0.000 0.268 572 R C 0.591 176.882 176.300 -0.014 0.000 1.062 572 R CA -0.560 55.537 56.100 -0.006 0.000 1.158 572 R CB 0.407 30.706 30.300 -0.002 0.000 1.046 572 R HN 0.528 nan 8.270 nan 0.000 0.493 573 D N 1.147 121.521 120.400 -0.043 0.000 2.158 573 D HA -0.179 4.430 4.640 -0.052 0.000 0.197 573 D C 0.942 177.252 176.300 0.017 0.000 0.995 573 D CA 1.610 55.554 54.000 -0.093 0.000 0.846 573 D CB -0.122 40.578 40.800 -0.167 0.000 0.941 573 D HN 0.600 nan 8.370 nan 0.000 0.456 574 D N -0.463 119.951 120.400 0.022 0.000 2.325 574 D HA -0.021 4.588 4.640 -0.052 0.000 0.225 574 D C 0.685 176.992 176.300 0.012 0.000 1.096 574 D CA 0.158 54.182 54.000 0.040 0.000 0.844 574 D CB -0.324 40.490 40.800 0.023 0.000 0.925 574 D HN 0.221 nan 8.370 nan 0.000 0.513 575 E N -0.420 119.780 120.200 0.001 0.000 2.526 575 E HA 0.392 4.711 4.350 -0.052 0.000 0.208 575 E C 0.573 177.118 176.600 -0.091 0.000 0.997 575 E CA -0.190 56.192 56.400 -0.030 0.000 0.961 575 E CB 1.258 30.954 29.700 -0.006 0.000 1.030 575 E HN 0.304 nan 8.360 nan 0.000 0.483 576 G N 1.161 109.909 108.800 -0.088 0.000 2.451 576 G HA2 0.447 4.376 3.960 -0.052 0.000 0.292 576 G HA3 0.447 4.376 3.960 -0.052 0.000 0.292 576 G C -1.774 173.099 174.900 -0.044 0.000 1.427 576 G CA -0.901 44.070 45.100 -0.215 0.000 0.792 576 G HN 0.071 nan 8.290 nan 0.000 0.498 577 F N -1.442 118.515 119.950 0.012 0.000 2.668 577 F HA 0.828 5.323 4.527 -0.053 0.000 0.309 577 F C -1.087 174.775 175.800 0.103 0.000 1.117 577 F CA -1.983 56.060 58.000 0.072 0.000 0.951 577 F CB 1.093 40.022 39.000 -0.119 0.000 1.323 577 F HN 0.465 nan 8.300 nan 0.000 0.451 578 I N 3.707 124.508 120.570 0.384 0.000 2.359 578 I HA 0.384 4.523 4.170 -0.052 0.000 0.294 578 I C -0.691 175.587 176.117 0.268 0.000 0.987 578 I CA -0.805 60.638 61.300 0.238 0.000 1.225 578 I CB 1.496 39.530 38.000 0.057 0.000 1.366 578 I HN 0.378 nan 8.210 nan 0.000 0.466 579 I N 6.265 127.011 120.570 0.294 0.000 2.378 579 I HA 0.307 4.446 4.170 -0.052 0.000 0.291 579 I C 0.373 176.423 176.117 -0.113 0.000 0.992 579 I CA -0.584 60.736 61.300 0.032 0.000 1.154 579 I CB 1.428 39.403 38.000 -0.042 0.000 1.315 579 I HN 0.514 nan 8.210 nan 0.000 0.448 580 R N 5.308 125.712 120.500 -0.160 0.000 3.710 580 R HA 0.193 4.502 4.340 -0.052 0.000 0.201 580 R C -0.204 176.064 176.300 -0.055 0.000 1.641 580 R CA -0.374 55.648 56.100 -0.129 0.000 1.390 580 R CB -0.470 29.663 30.300 -0.278 0.000 1.341 580 R HN 0.534 nan 8.270 nan 0.000 0.728 581 H N 0.657 119.796 119.070 0.114 0.000 2.836 581 H HA -0.091 4.433 4.556 -0.053 0.000 0.368 581 H C 1.381 176.733 175.328 0.038 0.000 1.164 581 H CA 0.187 56.324 56.048 0.148 0.000 1.425 581 H CB 0.462 30.363 29.762 0.231 0.000 1.414 581 H HN 0.488 nan 8.280 nan 0.000 0.614 582 F N 0.166 120.204 119.950 0.146 0.000 2.202 582 F HA -0.119 4.359 4.527 -0.082 0.000 0.301 582 F C 1.904 177.658 175.800 -0.075 0.000 1.082 582 F CA 0.968 58.995 58.000 0.045 0.000 1.313 582 F CB -0.347 38.678 39.000 0.042 0.000 1.024 582 F HN 0.383 nan 8.300 nan 0.000 0.495 583 A N 0.331 122.309 122.820 -1.404 0.000 2.275 583 A HA 0.598 4.887 4.320 -0.052 0.000 0.212 583 A C 1.061 178.221 177.584 -0.707 0.000 1.201 583 A CA 0.475 51.645 52.037 -1.446 0.000 0.843 583 A CB -1.009 16.470 19.000 -2.536 0.000 0.873 583 A HN 1.057 nan 8.150 nan 0.000 0.492 584 G N -2.022 106.598 108.800 -0.300 0.000 2.348 584 G HA2 0.511 4.440 3.960 -0.052 0.000 0.606 584 G HA3 0.511 4.440 3.960 -0.052 0.000 0.606 584 G C -0.320 174.644 174.900 0.108 0.000 1.466 584 G CA -0.430 44.647 45.100 -0.037 0.000 0.950 584 G HN 1.331 nan 8.290 nan 0.000 0.657 585 A N -0.099 122.735 122.820 0.024 0.000 2.477 585 A HA 0.635 4.924 4.320 -0.052 0.000 0.246 585 A C 0.442 177.993 177.584 -0.055 0.000 1.078 585 A CA 0.305 52.347 52.037 0.008 0.000 0.770 585 A CB 0.645 19.613 19.000 -0.054 0.000 1.011 585 A HN 1.854 nan 8.150 nan 0.000 0.494 586 V N 2.485 122.399 119.914 0.000 0.000 2.531 586 V HA 0.314 4.403 4.120 -0.052 0.000 0.301 586 V C -0.176 175.686 176.094 -0.387 0.000 1.034 586 V CA -0.746 61.396 62.300 -0.263 0.000 0.865 586 V CB 1.459 33.149 31.823 -0.222 0.000 0.995 586 V HN 1.055 nan 8.190 nan 0.000 0.424 587 C N 6.536 125.486 119.300 -0.584 0.000 2.285 587 C HA 0.663 5.092 4.460 -0.052 0.000 0.335 587 C C -0.473 174.164 174.990 -0.588 0.000 1.267 587 C CA -0.519 58.152 59.018 -0.579 0.000 1.762 587 C CB -0.916 26.233 27.740 -0.985 0.000 2.365 587 C HN 0.762 nan 8.230 nan 0.000 0.527 588 Y N 3.778 123.965 120.300 -0.188 0.000 2.330 588 Y HA 0.409 4.927 4.550 -0.054 0.000 0.336 588 Y C 0.660 176.358 175.900 -0.336 0.000 1.036 588 Y CA -0.329 57.658 58.100 -0.189 0.000 1.125 588 Y CB 0.804 39.129 38.460 -0.226 0.000 1.194 588 Y HN 0.608 nan 8.280 nan 0.000 0.469 589 E N 1.056 121.255 120.200 -0.002 0.000 2.259 589 E HA 0.104 4.423 4.350 -0.052 0.000 0.281 589 E C 0.319 176.832 176.600 -0.145 0.000 1.037 589 E CA -0.102 56.270 56.400 -0.047 0.000 0.854 589 E CB 0.858 30.615 29.700 0.096 0.000 1.051 589 E HN 0.745 nan 8.360 nan 0.000 0.409 590 T N -1.580 112.764 114.554 -0.350 0.000 3.086 590 T HA -0.034 4.285 4.350 -0.052 0.000 0.250 590 T C 0.842 175.486 174.700 -0.094 0.000 1.074 590 T CA -0.444 61.290 62.100 -0.609 0.000 0.988 590 T CB -0.355 68.083 68.868 -0.717 0.000 0.988 590 T HN 0.489 nan 8.240 nan 0.000 0.530 591 T N 1.474 116.039 114.554 0.018 0.000 2.908 591 T HA 0.155 4.474 4.350 -0.052 0.000 0.301 591 T C 0.450 175.241 174.700 0.152 0.000 1.019 591 T CA -0.204 61.941 62.100 0.075 0.000 1.152 591 T CB 0.330 69.232 68.868 0.057 0.000 0.966 591 T HN 0.556 nan 8.240 nan 0.000 0.540 592 Q N -0.780 119.086 119.800 0.109 0.000 2.324 592 Q HA -0.214 4.095 4.340 -0.052 0.000 0.200 592 Q C 0.510 176.549 176.000 0.064 0.000 0.645 592 Q CA 0.971 56.825 55.803 0.084 0.000 1.377 592 Q CB -2.015 26.773 28.738 0.083 0.000 1.486 592 Q HN 0.727 nan 8.270 nan 0.000 0.796 593 F N 0.198 120.034 119.950 -0.191 0.000 2.126 593 F HA -0.192 4.303 4.527 -0.053 0.000 0.299 593 F C 2.389 177.827 175.800 -0.603 0.000 1.096 593 F CA 1.777 59.503 58.000 -0.457 0.000 1.255 593 F CB -0.362 38.358 39.000 -0.467 0.000 0.997 593 F HN 0.021 nan 8.300 nan 0.000 0.479 594 V N 0.725 120.498 119.914 -0.235 0.000 2.261 594 V HA -0.298 3.791 4.120 -0.052 0.000 0.246 594 V C 2.318 178.302 176.094 -0.184 0.000 1.047 594 V CA 2.210 64.354 62.300 -0.261 0.000 1.015 594 V CB -0.985 30.738 31.823 -0.167 0.000 0.642 594 V HN 0.456 nan 8.190 nan 0.000 0.446 595 E N 0.700 120.837 120.200 -0.106 0.000 2.110 595 E HA -0.265 4.054 4.350 -0.052 0.000 0.193 595 E C 2.036 178.607 176.600 -0.049 0.000 0.988 595 E CA 1.440 57.812 56.400 -0.047 0.000 0.804 595 E CB -0.383 29.314 29.700 -0.006 0.000 0.745 595 E HN 0.529 nan 8.360 nan 0.000 0.458 596 K N 0.252 120.580 120.400 -0.119 0.000 2.365 596 K HA -0.050 4.239 4.320 -0.052 0.000 0.199 596 K C 1.540 178.071 176.600 -0.115 0.000 1.045 596 K CA 0.921 57.161 56.287 -0.079 0.000 0.962 596 K CB -0.069 32.400 32.500 -0.052 0.000 0.759 596 K HN 0.071 nan 8.250 nan 0.000 0.469 597 N N 1.082 119.594 118.700 -0.314 0.000 2.467 597 N HA -0.080 4.630 4.740 -0.052 0.000 0.184 597 N C -0.417 175.190 175.510 0.161 0.000 1.106 597 N CA 0.244 53.197 53.050 -0.162 0.000 0.892 597 N CB 0.133 38.419 38.487 -0.335 0.000 0.969 597 N HN -0.028 nan 8.380 nan 0.000 0.454 598 N N 0.447 119.240 118.700 0.155 0.000 2.501 598 N HA 0.085 4.794 4.740 -0.052 0.000 0.245 598 N C -0.710 174.860 175.510 0.100 0.000 0.974 598 N CA -0.168 53.011 53.050 0.215 0.000 0.941 598 N CB 1.124 39.771 38.487 0.267 0.000 1.122 598 N HN -0.053 nan 8.380 nan 0.000 0.507 599 D N 1.661 122.081 120.400 0.034 0.000 2.339 599 D HA 0.232 4.841 4.640 -0.052 0.000 0.217 599 D C 0.109 176.419 176.300 0.018 0.000 1.050 599 D CA -0.008 54.016 54.000 0.040 0.000 0.856 599 D CB 0.218 41.036 40.800 0.030 0.000 0.922 599 D HN 0.633 nan 8.370 nan 0.000 0.518 600 A N 0.340 123.150 122.820 -0.017 0.000 2.445 600 A HA 0.385 4.674 4.320 -0.052 0.000 0.242 600 A C -0.369 177.184 177.584 -0.052 0.000 1.075 600 A CA -0.132 51.879 52.037 -0.043 0.000 0.777 600 A CB 0.290 19.249 19.000 -0.068 0.000 1.013 600 A HN 0.274 nan 8.150 nan 0.000 0.493 601 L N 2.208 123.411 121.223 -0.034 0.000 2.333 601 L HA 0.448 4.757 4.340 -0.052 0.000 0.280 601 L C -0.152 176.693 176.870 -0.043 0.000 1.004 601 L CA -0.302 54.529 54.840 -0.015 0.000 0.820 601 L CB 1.181 43.284 42.059 0.074 0.000 1.247 601 L HN 0.806 nan 8.230 nan 0.000 0.416 602 H N 4.575 123.672 119.070 0.045 0.000 3.001 602 H HA 0.037 4.562 4.556 -0.051 0.000 0.334 602 H C 1.149 176.485 175.328 0.014 0.000 1.034 602 H CA 0.348 56.414 56.048 0.029 0.000 1.420 602 H CB 0.731 30.506 29.762 0.021 0.000 1.405 602 H HN 0.612 nan 8.280 nan 0.000 0.593 603 M N 2.083 121.765 119.600 0.137 0.000 2.202 603 M HA -0.203 4.246 4.480 -0.052 0.000 0.262 603 M C 2.286 178.610 176.300 0.039 0.000 1.063 603 M CA 1.666 57.005 55.300 0.064 0.000 1.097 603 M CB -0.793 31.837 32.600 0.051 0.000 1.382 603 M HN 0.779 nan 8.290 nan 0.000 0.413 604 S N 0.346 116.078 115.700 0.053 0.000 2.374 604 S HA -0.170 4.269 4.470 -0.052 0.000 0.227 604 S C 1.954 176.557 174.600 0.006 0.000 1.037 604 S CA 1.314 59.524 58.200 0.018 0.000 1.024 604 S CB -0.958 62.244 63.200 0.003 0.000 0.861 604 S HN 0.544 nan 8.310 nan 0.000 0.456 605 L N 1.172 122.413 121.223 0.031 0.000 2.131 605 L HA 0.062 4.371 4.340 -0.052 0.000 0.206 605 L C 3.031 179.861 176.870 -0.065 0.000 1.087 605 L CA 1.561 56.405 54.840 0.008 0.000 0.767 605 L CB -0.593 41.503 42.059 0.060 0.000 0.917 605 L HN 0.418 nan 8.230 nan 0.000 0.441 606 E N 0.240 120.405 120.200 -0.059 0.000 2.051 606 E HA -0.201 4.118 4.350 -0.052 0.000 0.192 606 E C 2.239 178.729 176.600 -0.183 0.000 0.991 606 E CA 1.532 57.847 56.400 -0.142 0.000 0.799 606 E CB 0.135 29.803 29.700 -0.053 0.000 0.748 606 E HN 0.343 nan 8.360 nan 0.000 0.449 607 S N 0.773 116.414 115.700 -0.099 0.000 2.368 607 S HA -0.170 4.269 4.470 -0.052 0.000 0.225 607 S C 1.853 176.390 174.600 -0.106 0.000 1.030 607 S CA 1.008 59.156 58.200 -0.087 0.000 0.999 607 S CB -0.330 62.844 63.200 -0.044 0.000 0.844 607 S HN 0.286 nan 8.310 nan 0.000 0.459 608 L N 1.297 122.462 121.223 -0.097 0.000 1.989 608 L HA -0.054 4.255 4.340 -0.052 0.000 0.211 608 L C 2.029 178.819 176.870 -0.133 0.000 1.071 608 L CA 1.691 56.479 54.840 -0.085 0.000 0.749 608 L CB -0.525 41.503 42.059 -0.053 0.000 0.890 608 L HN 0.251 nan 8.230 nan 0.000 0.431 609 I N -1.208 119.218 120.570 -0.240 0.000 2.406 609 I HA -0.222 3.917 4.170 -0.052 0.000 0.249 609 I C 2.283 178.161 176.117 -0.399 0.000 1.122 609 I CA 1.149 62.237 61.300 -0.354 0.000 1.431 609 I CB -0.296 37.360 38.000 -0.574 0.000 1.087 609 I HN 0.385 nan 8.210 nan 0.000 0.424 610 C N 0.402 119.453 119.300 -0.416 0.000 2.432 610 C HA -0.076 4.353 4.460 -0.052 0.000 0.282 610 C C 1.957 176.876 174.990 -0.117 0.000 1.388 610 C CA 0.632 59.499 59.018 -0.251 0.000 1.777 610 C CB -1.418 26.214 27.740 -0.181 0.000 1.882 610 C HN 0.461 nan 8.230 nan 0.000 0.520 611 E N 0.404 120.540 120.200 -0.106 0.000 2.437 611 E HA 0.070 4.389 4.350 -0.052 0.000 0.195 611 E C 0.537 177.112 176.600 -0.041 0.000 1.029 611 E CA -0.261 56.105 56.400 -0.057 0.000 0.948 611 E CB 0.279 29.951 29.700 -0.047 0.000 1.082 611 E HN 0.383 nan 8.360 nan 0.000 0.456 612 S N 0.515 116.188 115.700 -0.045 0.000 2.563 612 S HA 0.007 4.446 4.470 -0.052 0.000 0.284 612 S C 1.144 175.747 174.600 0.005 0.000 1.331 612 S CA -0.104 58.089 58.200 -0.012 0.000 1.047 612 S CB 0.702 63.904 63.200 0.004 0.000 0.859 612 S HN 0.284 nan 8.310 nan 0.000 0.514 613 R N 1.460 121.969 120.500 0.016 0.000 2.280 613 R HA 0.038 4.347 4.340 -0.052 0.000 0.207 613 R C -0.102 176.217 176.300 0.030 0.000 1.043 613 R CA 0.618 56.729 56.100 0.019 0.000 1.006 613 R CB -0.177 30.135 30.300 0.020 0.000 0.885 613 R HN 0.643 nan 8.270 nan 0.000 0.467 614 D N 0.859 121.286 120.400 0.045 0.000 2.280 614 D HA 0.032 4.641 4.640 -0.052 0.000 0.243 614 D C 0.839 177.182 176.300 0.071 0.000 1.129 614 D CA -0.125 53.915 54.000 0.066 0.000 0.848 614 D CB 1.266 42.122 40.800 0.093 0.000 1.107 614 D HN -0.197 nan 8.370 nan 0.000 0.471 615 K N 3.359 123.800 120.400 0.068 0.000 2.032 615 K HA -0.204 4.085 4.320 -0.052 0.000 0.209 615 K C 1.676 178.313 176.600 0.062 0.000 1.048 615 K CA 1.069 57.388 56.287 0.053 0.000 0.927 615 K CB -0.186 32.343 32.500 0.048 0.000 0.712 615 K HN 0.569 nan 8.250 nan 0.000 0.441 616 F N 1.551 121.472 119.950 -0.047 0.000 2.095 616 F HA -0.202 4.293 4.527 -0.052 0.000 0.298 616 F C 1.853 177.605 175.800 -0.079 0.000 1.104 616 F CA 1.589 59.533 58.000 -0.094 0.000 1.232 616 F CB -0.131 38.800 39.000 -0.115 0.000 0.987 616 F HN 0.001 nan 8.300 nan 0.000 0.475 617 I N -0.140 120.488 120.570 0.097 0.000 2.252 617 I HA -0.271 3.868 4.170 -0.052 0.000 0.245 617 I C 2.545 178.704 176.117 0.069 0.000 1.102 617 I CA 1.097 62.442 61.300 0.074 0.000 1.385 617 I CB -0.443 37.651 38.000 0.158 0.000 1.064 617 I HN 0.054 nan 8.210 nan 0.000 0.414 618 R N 0.658 121.178 120.500 0.033 0.000 2.091 618 R HA -0.189 4.120 4.340 -0.052 0.000 0.238 618 R C 1.943 178.252 176.300 0.014 0.000 1.136 618 R CA 1.429 57.548 56.100 0.033 0.000 0.959 618 R CB -0.331 29.973 30.300 0.006 0.000 0.856 618 R HN 0.480 nan 8.270 nan 0.000 0.437 619 E N 0.538 120.678 120.200 -0.099 0.000 2.418 619 E HA -0.086 4.233 4.350 -0.052 0.000 0.197 619 E C 1.889 178.343 176.600 -0.242 0.000 1.026 619 E CA 0.408 56.711 56.400 -0.162 0.000 0.862 619 E CB 0.064 29.642 29.700 -0.204 0.000 0.799 619 E HN 0.368 nan 8.360 nan 0.000 0.518 620 L N -0.099 120.939 121.223 -0.308 0.000 2.275 620 L HA -0.046 4.263 4.340 -0.052 0.000 0.215 620 L C 0.701 177.302 176.870 -0.448 0.000 1.119 620 L CA 0.752 55.348 54.840 -0.407 0.000 0.790 620 L CB -0.080 41.714 42.059 -0.442 0.000 0.919 620 L HN -0.002 nan 8.230 nan 0.000 0.443 639 S N 4.499 120.259 115.700 0.100 0.000 3.036 639 S HA 0.609 5.048 4.470 -0.052 0.000 0.301 639 S C -1.043 173.632 174.600 0.125 0.000 1.205 639 S CA -0.161 58.071 58.200 0.054 0.000 0.999 639 S CB -0.637 62.527 63.200 -0.061 0.000 1.337 639 S HN 0.544 nan 8.310 nan 0.000 0.515 640 F N 5.357 125.289 119.950 -0.031 0.000 2.588 640 F HA 0.627 5.123 4.527 -0.052 0.000 0.318 640 F C -1.575 174.224 175.800 -0.001 0.000 1.155 640 F CA -1.160 56.828 58.000 -0.021 0.000 0.967 640 F CB 1.122 40.115 39.000 -0.011 0.000 1.236 640 F HN 0.336 nan 8.300 nan 0.000 0.455 641 I N 4.661 124.799 120.570 -0.721 0.000 2.478 641 I HA 0.235 4.374 4.170 -0.052 0.000 0.287 641 I C -0.348 175.256 176.117 -0.855 0.000 1.042 641 I CA -0.927 59.948 61.300 -0.708 0.000 1.067 641 I CB 2.082 39.923 38.000 -0.264 0.000 1.233 641 I HN 0.602 nan 8.210 nan 0.000 0.431 642 S N 4.365 119.550 115.700 -0.858 0.000 2.498 642 S HA 0.147 4.586 4.470 -0.052 0.000 0.281 642 S C 1.097 175.686 174.600 -0.019 0.000 1.265 642 S CA -0.461 57.529 58.200 -0.350 0.000 1.071 642 S CB 0.817 63.968 63.200 -0.081 0.000 0.894 642 S HN 0.430 nan 8.310 nan 0.000 0.491 643 V N 6.155 126.157 119.914 0.146 0.000 2.358 643 V HA -0.032 4.057 4.120 -0.052 0.000 0.246 643 V C 2.589 178.959 176.094 0.460 0.000 1.047 643 V CA 2.216 64.706 62.300 0.316 0.000 1.035 643 V CB -1.352 30.745 31.823 0.456 0.000 0.658 643 V HN 0.968 nan 8.190 nan 0.000 0.452 644 G N 0.004 109.083 108.800 0.464 0.000 2.418 644 G HA2 -0.340 3.589 3.960 -0.052 0.000 0.217 644 G HA3 -0.340 3.589 3.960 -0.052 0.000 0.217 644 G C 1.490 176.587 174.900 0.328 0.000 1.158 644 G CA 0.987 46.342 45.100 0.425 0.000 0.771 644 G HN 0.542 nan 8.290 nan 0.000 0.545 645 N N 0.291 119.131 118.700 0.234 0.000 2.309 645 N HA -0.114 4.595 4.740 -0.052 0.000 0.182 645 N C 1.886 177.492 175.510 0.161 0.000 1.018 645 N CA 0.879 54.032 53.050 0.172 0.000 0.876 645 N CB -0.038 38.513 38.487 0.108 0.000 0.972 645 N HN 0.034 nan 8.380 nan 0.000 0.434 646 K N 0.638 121.132 120.400 0.158 0.000 2.057 646 K HA -0.056 4.233 4.320 -0.052 0.000 0.206 646 K C 1.815 178.466 176.600 0.084 0.000 1.050 646 K CA 0.788 57.126 56.287 0.084 0.000 0.935 646 K CB -0.993 31.520 32.500 0.022 0.000 0.715 646 K HN 0.209 nan 8.250 nan 0.000 0.439 647 F N 1.824 121.861 119.950 0.145 0.000 2.095 647 F HA -0.176 4.319 4.527 -0.053 0.000 0.298 647 F C 2.514 178.442 175.800 0.213 0.000 1.104 647 F CA 1.600 59.708 58.000 0.180 0.000 1.232 647 F CB -0.195 38.948 39.000 0.238 0.000 0.987 647 F HN 0.049 nan 8.300 nan 0.000 0.475 648 K N -0.281 120.380 120.400 0.436 0.000 2.025 648 K HA -0.143 4.146 4.320 -0.052 0.000 0.207 648 K C 1.999 178.708 176.600 0.182 0.000 1.049 648 K CA 1.898 58.401 56.287 0.361 0.000 0.933 648 K CB -0.366 32.319 32.500 0.309 0.000 0.714 648 K HN 0.137 nan 8.250 nan 0.000 0.438 649 T N 1.552 116.188 114.554 0.136 0.000 2.746 649 T HA -0.125 4.194 4.350 -0.052 0.000 0.267 649 T C 1.854 176.582 174.700 0.047 0.000 1.039 649 T CA 1.091 63.239 62.100 0.080 0.000 1.142 649 T CB -0.113 68.794 68.868 0.065 0.000 0.866 649 T HN 0.266 nan 8.240 nan 0.000 0.444 650 Q N 0.644 120.468 119.800 0.039 0.000 2.079 650 Q HA 0.085 4.394 4.340 -0.052 0.000 0.200 650 Q C 2.522 178.464 176.000 -0.096 0.000 0.974 650 Q CA 1.054 56.871 55.803 0.024 0.000 0.840 650 Q CB -0.647 28.126 28.738 0.057 0.000 0.898 650 Q HN 0.491 nan 8.270 nan 0.000 0.430 651 L N 0.984 122.142 121.223 -0.108 0.000 2.083 651 L HA -0.193 4.116 4.340 -0.052 0.000 0.209 651 L C 1.975 178.756 176.870 -0.149 0.000 1.083 651 L CA 0.853 55.580 54.840 -0.190 0.000 0.752 651 L CB -0.410 41.553 42.059 -0.158 0.000 0.899 651 L HN 0.197 nan 8.230 nan 0.000 0.433 652 N N -0.032 118.634 118.700 -0.056 0.000 2.188 652 N HA -0.108 4.601 4.740 -0.052 0.000 0.184 652 N C 1.930 177.410 175.510 -0.051 0.000 1.018 652 N CA 1.067 54.097 53.050 -0.034 0.000 0.858 652 N CB -0.198 38.303 38.487 0.023 0.000 0.989 652 N HN 0.281 nan 8.380 nan 0.000 0.426 653 L N 0.080 121.277 121.223 -0.043 0.000 2.017 653 L HA -0.135 4.174 4.340 -0.052 0.000 0.208 653 L C 2.213 179.029 176.870 -0.089 0.000 1.073 653 L CA 0.615 55.436 54.840 -0.032 0.000 0.745 653 L CB -0.438 41.632 42.059 0.017 0.000 0.894 653 L HN 0.137 nan 8.230 nan 0.000 0.432 654 L N -0.042 121.076 121.223 -0.176 0.000 2.012 654 L HA -0.218 4.091 4.340 -0.052 0.000 0.210 654 L C 2.316 178.977 176.870 -0.347 0.000 1.073 654 L CA 1.782 56.429 54.840 -0.321 0.000 0.748 654 L CB -0.468 41.270 42.059 -0.535 0.000 0.891 654 L HN 0.103 nan 8.230 nan 0.000 0.431 655 L N -0.772 120.279 121.223 -0.286 0.000 2.083 655 L HA -0.201 4.108 4.340 -0.052 0.000 0.209 655 L C 2.245 178.998 176.870 -0.194 0.000 1.083 655 L CA 1.130 55.794 54.840 -0.293 0.000 0.752 655 L CB -0.778 41.171 42.059 -0.185 0.000 0.899 655 L HN 0.281 nan 8.230 nan 0.000 0.433 656 D N 0.121 120.456 120.400 -0.109 0.000 2.104 656 D HA -0.231 4.378 4.640 -0.052 0.000 0.194 656 D C 2.116 178.392 176.300 -0.041 0.000 0.994 656 D CA 1.268 55.242 54.000 -0.043 0.000 0.830 656 D CB -0.028 40.763 40.800 -0.016 0.000 0.959 656 D HN 0.217 nan 8.370 nan 0.000 0.452 657 K N 0.313 120.664 120.400 -0.082 0.000 2.057 657 K HA -0.062 4.227 4.320 -0.052 0.000 0.207 657 K C 2.303 178.872 176.600 -0.050 0.000 1.049 657 K CA 0.598 56.864 56.287 -0.034 0.000 0.931 657 K CB -0.092 32.359 32.500 -0.082 0.000 0.714 657 K HN 0.095 nan 8.250 nan 0.000 0.440 658 L N 0.312 121.391 121.223 -0.240 0.000 2.083 658 L HA -0.161 4.148 4.340 -0.052 0.000 0.209 658 L C 2.527 179.370 176.870 -0.044 0.000 1.083 658 L CA 1.226 55.896 54.840 -0.283 0.000 0.752 658 L CB -0.374 41.217 42.059 -0.780 0.000 0.899 658 L HN 0.168 nan 8.230 nan 0.000 0.433 659 R N -0.056 120.448 120.500 0.006 0.000 2.148 659 R HA -0.105 4.204 4.340 -0.052 0.000 0.227 659 R C 2.415 178.792 176.300 0.129 0.000 1.103 659 R CA 1.455 57.665 56.100 0.182 0.000 0.983 659 R CB -0.235 30.157 30.300 0.152 0.000 0.874 659 R HN 0.444 nan 8.270 nan 0.000 0.451 660 S N -0.427 115.327 115.700 0.089 0.000 2.562 660 S HA -0.036 4.403 4.470 -0.052 0.000 0.221 660 S C 0.894 175.535 174.600 0.069 0.000 0.975 660 S CA 0.285 58.535 58.200 0.084 0.000 0.918 660 S CB -0.086 63.171 63.200 0.095 0.000 0.772 660 S HN 0.264 nan 8.310 nan 0.000 0.531 661 T N -1.627 112.973 114.554 0.077 0.000 2.950 661 T HA 0.729 5.048 4.350 -0.052 0.000 0.288 661 T C 0.340 175.063 174.700 0.039 0.000 1.035 661 T CA -0.421 61.694 62.100 0.025 0.000 1.028 661 T CB 1.242 70.133 68.868 0.039 0.000 1.109 661 T HN 0.225 nan 8.240 nan 0.000 0.514 662 G N -0.048 108.741 108.800 -0.018 0.000 2.403 662 G HA2 0.541 4.470 3.960 -0.052 0.000 0.259 662 G HA3 0.541 4.470 3.960 -0.052 0.000 0.259 662 G C -0.230 174.674 174.900 0.006 0.000 1.244 662 G CA -0.488 44.608 45.100 -0.006 0.000 0.849 662 G HN 1.105 nan 8.290 nan 0.000 0.532 663 A N 2.061 124.893 122.820 0.021 0.000 2.330 663 A HA 0.826 5.115 4.320 -0.052 0.000 0.327 663 A C 0.145 177.625 177.584 -0.172 0.000 1.155 663 A CA -0.525 51.465 52.037 -0.078 0.000 0.803 663 A CB 1.570 20.563 19.000 -0.011 0.000 1.208 663 A HN 0.730 nan 8.150 nan 0.000 0.477 664 S N 0.316 115.844 115.700 -0.288 0.000 2.566 664 S HA 0.825 5.264 4.470 -0.052 0.000 0.298 664 S C -1.231 173.149 174.600 -0.366 0.000 1.083 664 S CA -0.219 57.880 58.200 -0.169 0.000 0.978 664 S CB 0.887 64.064 63.200 -0.038 0.000 1.073 664 S HN 0.473 nan 8.310 nan 0.000 0.491 665 F N 1.310 121.349 119.950 0.149 0.000 2.529 665 F HA 0.579 5.087 4.527 -0.033 0.000 0.320 665 F C -0.274 175.592 175.800 0.111 0.000 1.118 665 F CA -0.692 57.405 58.000 0.161 0.000 0.915 665 F CB 1.138 40.284 39.000 0.243 0.000 1.161 665 F HN 0.296 nan 8.300 nan 0.000 0.445 666 I N 3.488 124.203 120.570 0.242 0.000 2.389 666 I HA 0.416 4.555 4.170 -0.052 0.000 0.288 666 I C -0.463 175.731 176.117 0.128 0.000 0.999 666 I CA -0.945 60.449 61.300 0.157 0.000 1.129 666 I CB 1.652 39.716 38.000 0.107 0.000 1.288 666 I HN 0.379 nan 8.210 nan 0.000 0.444 667 R N 6.430 126.980 120.500 0.084 0.000 2.233 667 R HA 0.391 4.700 4.340 -0.052 0.000 0.334 667 R C -1.360 174.950 176.300 0.017 0.000 1.037 667 R CA -0.395 55.715 56.100 0.015 0.000 0.920 667 R CB 0.009 30.276 30.300 -0.055 0.000 1.137 667 R HN 0.614 nan 8.270 nan 0.000 0.492 668 C N 5.606 124.916 119.300 0.015 0.000 2.527 668 C HA 0.531 4.960 4.460 -0.052 0.000 0.396 668 C C 0.075 175.041 174.990 -0.041 0.000 1.289 668 C CA -0.743 58.273 59.018 -0.003 0.000 2.047 668 C CB -0.076 27.664 27.740 0.001 0.000 2.568 668 C HN 0.607 nan 8.230 nan 0.000 0.573 669 I N 3.028 123.554 120.570 -0.073 0.000 2.465 669 I HA 0.374 4.513 4.170 -0.052 0.000 0.291 669 I C -0.000 176.030 176.117 -0.145 0.000 1.014 669 I CA -0.439 60.793 61.300 -0.114 0.000 1.093 669 I CB 1.495 39.410 38.000 -0.143 0.000 1.267 669 I HN 0.673 nan 8.210 nan 0.000 0.431 670 K N 8.365 128.689 120.400 -0.127 0.000 2.262 670 K HA 0.387 4.676 4.320 -0.052 0.000 0.282 670 K C -1.684 174.840 176.600 -0.127 0.000 1.066 670 K CA -1.406 54.824 56.287 -0.095 0.000 0.901 670 K CB 1.645 34.129 32.500 -0.028 0.000 1.089 670 K HN 0.248 nan 8.250 nan 0.000 0.476 671 P HA -0.071 nan 4.420 nan 0.000 0.227 671 P C -0.997 176.230 177.300 -0.122 0.000 1.161 671 P CA 0.839 63.794 63.100 -0.242 0.000 0.788 671 P CB 0.008 31.589 31.700 -0.198 0.000 0.822 672 N N -2.269 116.439 118.700 0.014 0.000 3.227 672 N HA 0.172 4.881 4.740 -0.052 0.000 0.241 672 N C -0.372 175.133 175.510 -0.009 0.000 1.480 672 N CA -0.850 52.197 53.050 -0.005 0.000 0.886 672 N CB -0.004 38.496 38.487 0.021 0.000 1.406 672 N HN -0.307 nan 8.380 nan 0.000 0.514 673 L N -0.690 120.501 121.223 -0.054 0.000 2.700 673 L HA 0.375 4.684 4.340 -0.052 0.000 0.234 673 L C 0.637 177.445 176.870 -0.104 0.000 1.156 673 L CA 0.113 54.910 54.840 -0.072 0.000 0.946 673 L CB -0.211 41.803 42.059 -0.075 0.000 1.216 673 L HN 0.563 nan 8.230 nan 0.000 0.493 674 K N 0.100 120.409 120.400 -0.153 0.000 2.413 674 K HA 0.333 4.622 4.320 -0.052 0.000 0.204 674 K C 0.445 176.858 176.600 -0.312 0.000 1.041 674 K CA -0.195 55.977 56.287 -0.192 0.000 1.082 674 K CB 0.721 33.107 32.500 -0.190 0.000 0.871 674 K HN 0.103 nan 8.250 nan 0.000 0.535 675 M N 1.533 120.798 119.600 -0.559 0.000 2.576 675 M HA -0.195 4.254 4.480 -0.052 0.000 0.200 675 M C -0.317 175.454 176.300 -0.881 0.000 0.487 675 M CA 0.956 55.519 55.300 -1.229 0.000 0.553 675 M CB -2.184 30.041 32.600 -0.624 0.000 2.042 675 M HN 0.275 nan 8.290 nan 0.000 0.758 676 T N -2.057 112.209 114.554 -0.480 0.000 2.929 676 T HA 0.698 5.018 4.350 -0.052 0.000 0.284 676 T C 0.514 175.314 174.700 0.166 0.000 1.014 676 T CA -0.261 61.776 62.100 -0.104 0.000 1.051 676 T CB 2.034 70.840 68.868 -0.103 0.000 1.028 676 T HN 0.361 nan 8.240 nan 0.000 0.485 677 S N 1.246 117.076 115.700 0.217 0.000 2.617 677 S HA 0.260 4.699 4.470 -0.052 0.000 0.269 677 S C 0.131 174.838 174.600 0.179 0.000 1.292 677 S CA -0.730 57.571 58.200 0.169 0.000 1.010 677 S CB -0.283 62.890 63.200 -0.045 0.000 0.944 677 S HN 0.928 nan 8.310 nan 0.000 0.536 678 H N 0.319 119.522 119.070 0.222 0.000 2.655 678 H HA -0.151 4.374 4.556 -0.052 0.000 0.313 678 H C -0.602 174.753 175.328 0.045 0.000 1.141 678 H CA 1.215 57.328 56.048 0.109 0.000 1.138 678 H CB -2.240 27.468 29.762 -0.090 0.000 1.446 678 H HN 0.721 nan 8.280 nan 0.000 0.415 679 H N -0.271 119.021 119.070 0.369 0.000 2.448 679 H HA 0.100 4.624 4.556 -0.054 0.000 0.237 679 H C -0.387 175.100 175.328 0.265 0.000 1.391 679 H CA -0.504 55.702 56.048 0.263 0.000 1.477 679 H CB -0.149 29.703 29.762 0.150 0.000 1.520 679 H HN 0.166 nan 8.280 nan 0.000 0.502 680 F N 3.273 123.346 119.950 0.205 0.000 2.462 680 F HA 0.097 4.587 4.527 -0.061 0.000 0.360 680 F C 0.486 176.313 175.800 0.045 0.000 1.134 680 F CA -0.317 57.717 58.000 0.056 0.000 1.148 680 F CB 0.496 39.533 39.000 0.062 0.000 1.147 680 F HN 0.191 nan 8.300 nan 0.000 0.550 681 E N 5.102 125.206 120.200 -0.159 0.000 1.941 681 E HA 0.114 4.433 4.350 -0.052 0.000 0.275 681 E C 1.092 177.581 176.600 -0.185 0.000 1.113 681 E CA 0.082 56.433 56.400 -0.081 0.000 0.878 681 E CB 1.151 30.810 29.700 -0.067 0.000 1.070 681 E HN 0.972 nan 8.360 nan 0.000 0.399 682 G N 3.226 112.046 108.800 0.034 0.000 2.491 682 G HA2 -0.351 3.578 3.960 -0.052 0.000 0.218 682 G HA3 -0.351 3.578 3.960 -0.052 0.000 0.218 682 G C 1.430 176.325 174.900 -0.008 0.000 1.180 682 G CA 1.064 46.224 45.100 0.100 0.000 0.774 682 G HN 0.548 nan 8.290 nan 0.000 0.562 683 A N 0.171 122.986 122.820 -0.007 0.000 1.902 683 A HA -0.071 4.218 4.320 -0.052 0.000 0.217 683 A C 2.358 179.903 177.584 -0.065 0.000 1.181 683 A CA 1.977 53.993 52.037 -0.035 0.000 0.623 683 A CB -0.462 18.527 19.000 -0.017 0.000 0.818 683 A HN 0.478 nan 8.150 nan 0.000 0.443 684 Q N -0.581 119.167 119.800 -0.086 0.000 2.096 684 Q HA -0.133 4.176 4.340 -0.052 0.000 0.204 684 Q C 2.033 177.943 176.000 -0.150 0.000 0.982 684 Q CA 1.688 57.427 55.803 -0.106 0.000 0.850 684 Q CB -0.321 28.349 28.738 -0.114 0.000 0.901 684 Q HN 0.749 nan 8.270 nan 0.000 0.422 685 I N 0.116 120.544 120.570 -0.237 0.000 2.286 685 I HA -0.240 3.899 4.170 -0.052 0.000 0.245 685 I C 2.222 178.253 176.117 -0.142 0.000 1.104 685 I CA 0.399 61.532 61.300 -0.279 0.000 1.397 685 I CB -0.173 37.480 38.000 -0.578 0.000 1.072 685 I HN 0.207 nan 8.210 nan 0.000 0.417 686 L N 0.322 121.495 121.223 -0.083 0.000 2.043 686 L HA -0.260 4.049 4.340 -0.052 0.000 0.212 686 L C 2.638 179.490 176.870 -0.030 0.000 1.075 686 L CA 2.037 56.865 54.840 -0.020 0.000 0.752 686 L CB -0.766 41.300 42.059 0.011 0.000 0.891 686 L HN 0.175 nan 8.230 nan 0.000 0.432 687 S N -1.250 114.420 115.700 -0.050 0.000 2.370 687 S HA -0.273 4.166 4.470 -0.052 0.000 0.226 687 S C 1.958 176.520 174.600 -0.063 0.000 1.033 687 S CA 1.768 59.939 58.200 -0.048 0.000 1.011 687 S CB -0.216 62.952 63.200 -0.053 0.000 0.852 687 S HN 0.698 nan 8.310 nan 0.000 0.457 688 Q N 0.129 119.879 119.800 -0.083 0.000 2.079 688 Q HA 0.009 4.318 4.340 -0.052 0.000 0.200 688 Q C 2.288 178.249 176.000 -0.065 0.000 0.974 688 Q CA 1.444 57.193 55.803 -0.090 0.000 0.840 688 Q CB -0.265 28.410 28.738 -0.105 0.000 0.898 688 Q HN 0.515 nan 8.270 nan 0.000 0.430 689 L N 0.359 121.550 121.223 -0.055 0.000 2.083 689 L HA -0.230 4.079 4.340 -0.052 0.000 0.209 689 L C 2.378 179.238 176.870 -0.016 0.000 1.083 689 L CA 1.195 56.012 54.840 -0.037 0.000 0.752 689 L CB -0.313 41.732 42.059 -0.024 0.000 0.899 689 L HN 0.287 nan 8.230 nan 0.000 0.433 690 Q N -0.450 119.349 119.800 -0.002 0.000 1.990 690 Q HA -0.206 4.103 4.340 -0.052 0.000 0.200 690 Q C 2.580 178.606 176.000 0.044 0.000 0.980 690 Q CA 2.006 57.826 55.803 0.028 0.000 0.832 690 Q CB -0.360 28.401 28.738 0.038 0.000 0.897 690 Q HN 0.754 nan 8.270 nan 0.000 0.427 691 C N 0.051 119.368 119.300 0.027 0.000 2.448 691 C HA 0.048 4.477 4.460 -0.052 0.000 0.280 691 C C 2.738 177.836 174.990 0.180 0.000 1.398 691 C CA 0.347 59.419 59.018 0.090 0.000 1.774 691 C CB -1.204 26.504 27.740 -0.052 0.000 1.888 691 C HN 0.489 nan 8.230 nan 0.000 0.519 692 S N 0.303 116.033 115.700 0.051 0.000 2.481 692 S HA 0.322 4.761 4.470 -0.052 0.000 0.231 692 S C 1.755 176.240 174.600 -0.191 0.000 0.996 692 S CA 1.348 59.514 58.200 -0.056 0.000 0.942 692 S CB -0.849 62.271 63.200 -0.135 0.000 0.768 692 S HN 1.860 nan 8.310 nan 0.000 0.520 693 G N 0.700 109.475 108.800 -0.042 0.000 2.175 693 G HA2 -0.250 3.679 3.960 -0.052 0.000 0.244 693 G HA3 -0.250 3.679 3.960 -0.052 0.000 0.244 693 G C 0.754 175.675 174.900 0.034 0.000 0.982 693 G CA 0.389 45.506 45.100 0.028 0.000 0.641 693 G HN 0.342 nan 8.290 nan 0.000 0.527 694 M N 0.255 119.836 119.600 -0.032 0.000 2.159 694 M HA 0.060 4.509 4.480 -0.052 0.000 0.263 694 M C 2.702 179.015 176.300 0.022 0.000 1.063 694 M CA 1.543 56.841 55.300 -0.003 0.000 1.110 694 M CB -1.252 31.329 32.600 -0.031 0.000 1.374 694 M HN 0.230 nan 8.290 nan 0.000 0.411 695 V N -0.493 119.432 119.914 0.019 0.000 2.358 695 V HA -0.217 3.872 4.120 -0.052 0.000 0.246 695 V C 2.410 178.527 176.094 0.039 0.000 1.047 695 V CA 1.744 64.056 62.300 0.021 0.000 1.035 695 V CB -0.853 30.983 31.823 0.023 0.000 0.658 695 V HN 0.418 nan 8.190 nan 0.000 0.452 696 S N -0.096 115.636 115.700 0.054 0.000 2.368 696 S HA -0.162 4.277 4.470 -0.052 0.000 0.225 696 S C 2.025 176.640 174.600 0.026 0.000 1.030 696 S CA 1.489 59.721 58.200 0.053 0.000 0.999 696 S CB -0.212 63.015 63.200 0.046 0.000 0.844 696 S HN 0.384 nan 8.310 nan 0.000 0.459 697 V N 1.705 121.638 119.914 0.032 0.000 2.343 697 V HA -0.122 3.967 4.120 -0.052 0.000 0.247 697 V C 2.228 178.342 176.094 0.033 0.000 1.051 697 V CA 1.409 63.726 62.300 0.028 0.000 1.036 697 V CB -0.602 31.276 31.823 0.092 0.000 0.654 697 V HN 0.347 nan 8.190 nan 0.000 0.451 698 L N 0.517 121.762 121.223 0.037 0.000 2.046 698 L HA -0.180 4.129 4.340 -0.052 0.000 0.208 698 L C 2.181 179.065 176.870 0.023 0.000 1.077 698 L CA 2.293 57.150 54.840 0.029 0.000 0.747 698 L CB -0.789 41.282 42.059 0.020 0.000 0.896 698 L HN 0.379 nan 8.230 nan 0.000 0.432 699 D N -0.737 119.681 120.400 0.030 0.000 2.104 699 D HA -0.234 4.375 4.640 -0.052 0.000 0.194 699 D C 2.169 178.486 176.300 0.027 0.000 0.994 699 D CA 1.520 55.544 54.000 0.039 0.000 0.830 699 D CB -0.181 40.656 40.800 0.060 0.000 0.959 699 D HN 0.292 nan 8.370 nan 0.000 0.452 700 L N 0.112 121.352 121.223 0.027 0.000 2.083 700 L HA -0.078 4.231 4.340 -0.052 0.000 0.209 700 L C 2.124 178.999 176.870 0.009 0.000 1.083 700 L CA 1.360 56.220 54.840 0.033 0.000 0.752 700 L CB -0.568 41.513 42.059 0.037 0.000 0.899 700 L HN 0.047 nan 8.230 nan 0.000 0.433 701 M N -1.057 118.542 119.600 -0.002 0.000 2.460 701 M HA -0.155 4.294 4.480 -0.052 0.000 0.263 701 M C 2.085 178.327 176.300 -0.097 0.000 1.071 701 M CA 1.086 56.361 55.300 -0.042 0.000 1.096 701 M CB -1.025 31.573 32.600 -0.003 0.000 1.408 701 M HN 0.435 nan 8.290 nan 0.000 0.463 702 Q N -0.741 119.018 119.800 -0.067 0.000 2.152 702 Q HA -0.136 4.173 4.340 -0.052 0.000 0.206 702 Q C 1.451 177.357 176.000 -0.156 0.000 0.985 702 Q CA 1.484 57.240 55.803 -0.080 0.000 0.863 702 Q CB -0.175 28.544 28.738 -0.032 0.000 0.904 702 Q HN 0.650 nan 8.270 nan 0.000 0.422 703 G N -0.830 107.848 108.800 -0.202 0.000 3.979 703 G HA2 0.358 4.287 3.960 -0.052 0.000 0.287 703 G HA3 0.358 4.287 3.960 -0.052 0.000 0.287 703 G C 0.040 174.585 174.900 -0.591 0.000 1.011 703 G CA 0.143 45.043 45.100 -0.334 0.000 0.818 703 G HN 0.300 nan 8.290 nan 0.000 0.470 704 G N -0.300 108.186 108.800 -0.522 0.000 2.535 704 G HA2 0.567 4.496 3.960 -0.052 0.000 0.303 704 G HA3 0.567 4.496 3.960 -0.052 0.000 0.303 704 G C -1.161 173.242 174.900 -0.829 0.000 1.237 704 G CA -0.842 43.926 45.100 -0.554 0.000 0.986 704 G HN 0.079 nan 8.290 nan 0.000 0.494 705 F N -0.063 119.829 119.950 -0.098 0.000 2.902 705 F HA 0.328 4.826 4.527 -0.048 0.000 0.368 705 F C -1.679 174.217 175.800 0.159 0.000 1.202 705 F CA -1.545 56.459 58.000 0.008 0.000 1.109 705 F CB 2.739 41.761 39.000 0.038 0.000 1.418 705 F HN 0.254 nan 8.300 nan 0.000 0.527 706 P HA 0.012 nan 4.420 nan 0.000 0.229 706 P C 0.052 177.344 177.300 -0.012 0.000 1.160 706 P CA 0.683 63.857 63.100 0.123 0.000 0.777 706 P CB 0.547 32.347 31.700 0.166 0.000 0.814 707 S N 1.048 116.612 115.700 -0.227 0.000 2.472 707 S HA 0.614 5.053 4.470 -0.052 0.000 0.303 707 S C 0.014 174.365 174.600 -0.415 0.000 1.099 707 S CA -0.574 57.240 58.200 -0.643 0.000 1.077 707 S CB 1.683 64.058 63.200 -1.376 0.000 1.031 707 S HN 0.141 nan 8.310 nan 0.000 0.487 708 R N 0.316 120.543 120.500 -0.454 0.000 2.664 708 R HA 0.849 5.158 4.340 -0.052 0.000 0.266 708 R C -1.858 174.478 176.300 0.059 0.000 1.046 708 R CA -0.998 54.942 56.100 -0.267 0.000 0.885 708 R CB 0.913 30.707 30.300 -0.843 0.000 1.254 708 R HN 0.666 nan 8.270 nan 0.000 0.465 709 A N 0.497 123.380 122.820 0.105 0.000 2.606 709 A HA 0.551 4.840 4.320 -0.052 0.000 0.293 709 A C -0.867 176.747 177.584 0.050 0.000 1.082 709 A CA -0.347 51.775 52.037 0.142 0.000 0.685 709 A CB 1.812 20.978 19.000 0.278 0.000 1.284 709 A HN 0.842 nan 8.150 nan 0.000 0.408 710 S N 0.447 116.156 115.700 0.015 0.000 2.525 710 S HA 0.283 4.722 4.470 -0.052 0.000 0.285 710 S C 0.895 175.522 174.600 0.045 0.000 1.283 710 S CA 0.292 58.453 58.200 -0.065 0.000 1.072 710 S CB -0.522 62.646 63.200 -0.053 0.000 0.867 710 S HN 1.341 nan 8.310 nan 0.000 0.492 711 F N 3.548 123.588 119.950 0.150 0.000 2.407 711 F HA 0.141 4.637 4.527 -0.053 0.000 0.299 711 F C 1.721 177.596 175.800 0.125 0.000 1.097 711 F CA 0.897 59.002 58.000 0.174 0.000 1.422 711 F CB -1.145 37.997 39.000 0.236 0.000 1.067 711 F HN 0.705 nan 8.300 nan 0.000 0.539 712 H N 0.443 119.549 119.070 0.060 0.000 2.357 712 H HA -0.041 4.484 4.556 -0.052 0.000 0.301 712 H C 1.971 177.411 175.328 0.187 0.000 1.082 712 H CA 1.897 58.025 56.048 0.133 0.000 1.342 712 H CB -0.125 29.618 29.762 -0.032 0.000 1.389 712 H HN 0.369 nan 8.280 nan 0.000 0.511 713 E N 0.399 120.735 120.200 0.228 0.000 2.106 713 E HA -0.140 4.179 4.350 -0.052 0.000 0.192 713 E C 2.068 178.803 176.600 0.224 0.000 0.984 713 E CA 0.695 57.202 56.400 0.178 0.000 0.806 713 E CB 0.022 29.782 29.700 0.101 0.000 0.750 713 E HN 0.414 nan 8.360 nan 0.000 0.458 714 L N 0.105 121.506 121.223 0.296 0.000 1.994 714 L HA -0.230 4.079 4.340 -0.052 0.000 0.208 714 L C 2.574 179.741 176.870 0.495 0.000 1.071 714 L CA 1.484 56.566 54.840 0.403 0.000 0.745 714 L CB -0.549 41.781 42.059 0.451 0.000 0.892 714 L HN 0.218 nan 8.230 nan 0.000 0.431 715 Y N 1.173 121.666 120.300 0.322 0.000 2.128 715 Y HA -0.323 4.196 4.550 -0.052 0.000 0.284 715 Y C 2.321 178.285 175.900 0.107 0.000 1.154 715 Y CA 2.119 60.337 58.100 0.197 0.000 1.149 715 Y CB -0.539 38.026 38.460 0.176 0.000 0.976 715 Y HN 0.228 nan 8.280 nan 0.000 0.505 716 N N -0.217 118.663 118.700 0.299 0.000 2.149 716 N HA -0.268 4.441 4.740 -0.052 0.000 0.188 716 N C 1.952 177.460 175.510 -0.002 0.000 1.019 716 N CA 1.411 54.540 53.050 0.132 0.000 0.857 716 N CB -0.259 38.325 38.487 0.161 0.000 0.997 716 N HN 0.471 nan 8.380 nan 0.000 0.426 717 M N -0.264 119.357 119.600 0.035 0.000 2.200 717 M HA -0.142 4.307 4.480 -0.052 0.000 0.265 717 M C 0.927 177.136 176.300 -0.151 0.000 1.066 717 M CA 1.583 56.842 55.300 -0.069 0.000 1.127 717 M CB 0.109 32.652 32.600 -0.094 0.000 1.379 717 M HN 0.145 nan 8.290 nan 0.000 0.420 718 Y N -0.322 119.924 120.300 -0.091 0.000 2.511 718 Y HA 0.037 4.556 4.550 -0.052 0.000 0.279 718 Y C 2.166 177.876 175.900 -0.316 0.000 1.157 718 Y CA 0.623 58.647 58.100 -0.127 0.000 1.300 718 Y CB -0.230 38.114 38.460 -0.194 0.000 1.052 718 Y HN 0.227 nan 8.280 nan 0.000 0.529 719 K N 1.846 122.050 120.400 -0.326 0.000 2.044 719 K HA -0.272 4.017 4.320 -0.052 0.000 0.210 719 K C 1.943 178.359 176.600 -0.306 0.000 1.049 719 K CA 2.252 58.261 56.287 -0.463 0.000 0.927 719 K CB -0.079 32.166 32.500 -0.424 0.000 0.713 719 K HN 0.389 nan 8.250 nan 0.000 0.443 720 K N -1.136 119.077 120.400 -0.312 0.000 2.360 720 K HA -0.165 4.124 4.320 -0.052 0.000 0.201 720 K C 0.985 177.307 176.600 -0.463 0.000 1.046 720 K CA 1.428 57.469 56.287 -0.410 0.000 0.945 720 K CB -0.134 32.047 32.500 -0.532 0.000 0.750 720 K HN 0.243 nan 8.250 nan 0.000 0.464 721 Y N 0.765 121.010 120.300 -0.092 0.000 2.449 721 Y HA 0.321 4.840 4.550 -0.052 0.000 0.254 721 Y C 0.818 176.690 175.900 -0.047 0.000 1.140 721 Y CA -0.527 57.546 58.100 -0.045 0.000 1.272 721 Y CB 0.159 38.618 38.460 -0.002 0.000 1.114 721 Y HN -0.077 nan 8.280 nan 0.000 0.525 722 M N 3.094 122.686 119.600 -0.013 0.000 2.238 722 M HA 0.150 4.599 4.480 -0.052 0.000 0.347 722 M C -2.101 174.195 176.300 -0.007 0.000 1.173 722 M CA -1.517 53.749 55.300 -0.056 0.000 1.147 722 M CB 0.356 32.808 32.600 -0.247 0.000 1.547 722 M HN -0.087 nan 8.290 nan 0.000 0.455 723 P HA 0.008 nan 4.420 nan 0.000 0.277 723 P C -0.030 177.289 177.300 0.031 0.000 1.240 723 P CA -0.192 62.932 63.100 0.041 0.000 0.798 723 P CB 0.601 32.340 31.700 0.066 0.000 0.979 724 D N 2.279 122.694 120.400 0.025 0.000 2.203 724 D HA -0.210 4.399 4.640 -0.052 0.000 0.199 724 D C 1.443 177.768 176.300 0.042 0.000 0.997 724 D CA 1.551 55.567 54.000 0.026 0.000 0.863 724 D CB 0.257 41.069 40.800 0.021 0.000 0.928 724 D HN 0.550 nan 8.370 nan 0.000 0.458 725 K N -0.033 120.396 120.400 0.048 0.000 2.211 725 K HA -0.124 4.165 4.320 -0.052 0.000 0.203 725 K C 2.220 178.868 176.600 0.081 0.000 1.050 725 K CA 0.924 57.245 56.287 0.056 0.000 0.945 725 K CB -0.165 32.364 32.500 0.050 0.000 0.732 725 K HN 0.215 nan 8.250 nan 0.000 0.451 726 L N 0.531 121.817 121.223 0.105 0.000 2.408 726 L HA 0.229 4.538 4.340 -0.052 0.000 0.215 726 L C 2.577 179.539 176.870 0.153 0.000 1.081 726 L CA 0.629 55.564 54.840 0.157 0.000 0.840 726 L CB -0.048 42.163 42.059 0.254 0.000 1.002 726 L HN 0.199 nan 8.230 nan 0.000 0.468 727 A N 0.275 123.146 122.820 0.086 0.000 1.972 727 A HA -0.185 4.104 4.320 -0.052 0.000 0.219 727 A C 2.398 180.083 177.584 0.169 0.000 1.169 727 A CA 1.494 53.590 52.037 0.098 0.000 0.635 727 A CB -0.432 18.576 19.000 0.013 0.000 0.810 727 A HN 0.318 nan 8.150 nan 0.000 0.446 728 R N -1.000 119.563 120.500 0.105 0.000 2.193 728 R HA 0.164 4.473 4.340 -0.052 0.000 0.213 728 R C 0.033 176.372 176.300 0.064 0.000 1.055 728 R CA 0.107 56.253 56.100 0.076 0.000 0.995 728 R CB -0.258 30.072 30.300 0.049 0.000 0.893 728 R HN 0.439 nan 8.270 nan 0.000 0.459 729 L N 0.631 121.903 121.223 0.082 0.000 2.439 729 L HA 0.124 4.433 4.340 -0.052 0.000 0.259 729 L C 0.602 177.476 176.870 0.006 0.000 1.129 729 L CA -0.730 54.136 54.840 0.043 0.000 0.803 729 L CB 0.398 42.488 42.059 0.051 0.000 1.161 729 L HN 0.075 nan 8.230 nan 0.000 0.462 730 D N 1.526 121.893 120.400 -0.054 0.000 2.571 730 D HA -0.059 4.550 4.640 -0.052 0.000 0.231 730 D C -1.744 174.462 176.300 -0.157 0.000 1.133 730 D CA -0.828 53.095 54.000 -0.128 0.000 0.862 730 D CB 1.506 42.214 40.800 -0.153 0.000 1.179 730 D HN 0.246 nan 8.370 nan 0.000 0.474 731 P HA -0.124 nan 4.420 nan 0.000 0.218 731 P C 1.074 178.325 177.300 -0.081 0.000 1.146 731 P CA 1.172 64.136 63.100 -0.226 0.000 0.813 731 P CB 0.164 31.639 31.700 -0.376 0.000 0.778 732 R N -1.075 119.202 120.500 -0.370 0.000 2.148 732 R HA 0.019 4.328 4.340 -0.052 0.000 0.223 732 R C 2.232 178.242 176.300 -0.483 0.000 1.088 732 R CA 0.804 56.503 56.100 -0.669 0.000 0.985 732 R CB -0.764 28.798 30.300 -1.230 0.000 0.880 732 R HN 0.269 nan 8.270 nan 0.000 0.451 733 L N -0.377 120.682 121.223 -0.274 0.000 2.072 733 L HA -0.133 4.176 4.340 -0.052 0.000 0.205 733 L C 2.245 179.054 176.870 -0.102 0.000 1.079 733 L CA 0.958 55.699 54.840 -0.166 0.000 0.752 733 L CB -0.355 41.658 42.059 -0.077 0.000 0.906 733 L HN 0.126 nan 8.230 nan 0.000 0.436 734 F N 0.349 120.235 119.950 -0.106 0.000 2.095 734 F HA -0.283 4.213 4.527 -0.052 0.000 0.298 734 F C 2.536 178.163 175.800 -0.287 0.000 1.104 734 F CA 1.514 59.453 58.000 -0.103 0.000 1.232 734 F CB -0.630 38.392 39.000 0.037 0.000 0.987 734 F HN 0.059 nan 8.300 nan 0.000 0.475 735 C N 1.229 120.255 119.300 -0.456 0.000 2.413 735 C HA -0.199 4.230 4.460 -0.052 0.000 0.276 735 C C 2.738 176.838 174.990 -1.483 0.000 1.236 735 C CA 1.518 59.982 59.018 -0.923 0.000 1.735 735 C CB -1.209 26.312 27.740 -0.365 0.000 2.031 735 C HN 0.479 nan 8.230 nan 0.000 0.474 736 K N 0.957 120.872 120.400 -0.808 0.000 2.063 736 K HA -0.140 4.149 4.320 -0.052 0.000 0.208 736 K C 2.273 178.533 176.600 -0.566 0.000 1.048 736 K CA 1.632 57.587 56.287 -0.553 0.000 0.928 736 K CB -0.350 32.049 32.500 -0.168 0.000 0.713 736 K HN 0.509 nan 8.250 nan 0.000 0.442 737 A N 1.459 123.941 122.820 -0.563 0.000 1.877 737 A HA -0.177 4.112 4.320 -0.052 0.000 0.216 737 A C 2.109 179.151 177.584 -0.904 0.000 1.186 737 A CA 1.258 52.896 52.037 -0.665 0.000 0.620 737 A CB -0.603 18.232 19.000 -0.275 0.000 0.822 737 A HN 0.242 nan 8.150 nan 0.000 0.443 738 L N -0.552 120.096 121.223 -0.958 0.000 2.012 738 L HA -0.138 4.171 4.340 -0.052 0.000 0.210 738 L C 2.344 178.943 176.870 -0.450 0.000 1.073 738 L CA 1.967 56.326 54.840 -0.802 0.000 0.748 738 L CB -0.851 40.590 42.059 -1.031 0.000 0.891 738 L HN 0.498 nan 8.230 nan 0.000 0.431 739 F N -0.298 119.349 119.950 -0.504 0.000 2.095 739 F HA -0.264 4.233 4.527 -0.049 0.000 0.298 739 F C 2.427 178.026 175.800 -0.335 0.000 1.104 739 F CA 1.101 58.871 58.000 -0.383 0.000 1.232 739 F CB -0.429 38.228 39.000 -0.572 0.000 0.987 739 F HN 0.068 nan 8.300 nan 0.000 0.475 740 K N 0.589 120.815 120.400 -0.290 0.000 2.097 740 K HA -0.105 4.184 4.320 -0.052 0.000 0.205 740 K C 2.272 178.523 176.600 -0.582 0.000 1.050 740 K CA 1.067 57.132 56.287 -0.369 0.000 0.938 740 K CB -0.399 31.822 32.500 -0.466 0.000 0.718 740 K HN 0.188 nan 8.250 nan 0.000 0.442 741 A N 1.216 123.475 122.820 -0.936 0.000 2.019 741 A HA -0.091 4.198 4.320 -0.052 0.000 0.219 741 A C 1.883 179.323 177.584 -0.241 0.000 1.164 741 A CA 1.154 52.800 52.037 -0.652 0.000 0.644 741 A CB -0.421 18.256 19.000 -0.538 0.000 0.805 741 A HN 0.180 nan 8.150 nan 0.000 0.449 742 L N -1.346 119.763 121.223 -0.191 0.000 2.591 742 L HA 0.216 4.525 4.340 -0.052 0.000 0.228 742 L C 1.593 178.447 176.870 -0.026 0.000 1.133 742 L CA 0.502 55.297 54.840 -0.074 0.000 0.880 742 L CB -0.089 41.942 42.059 -0.048 0.000 1.033 742 L HN 0.562 nan 8.230 nan 0.000 0.450 743 G N 0.299 109.082 108.800 -0.028 0.000 2.141 743 G HA2 -0.260 3.669 3.960 -0.052 0.000 0.242 743 G HA3 -0.260 3.669 3.960 -0.052 0.000 0.242 743 G C 0.204 175.142 174.900 0.062 0.000 0.982 743 G CA -0.339 44.778 45.100 0.029 0.000 0.662 743 G HN 0.202 nan 8.290 nan 0.000 0.527 744 L N 0.971 122.244 121.223 0.084 0.000 2.416 744 L HA 0.302 4.611 4.340 -0.052 0.000 0.272 744 L C 0.533 177.543 176.870 0.234 0.000 1.161 744 L CA -0.678 54.263 54.840 0.168 0.000 0.845 744 L CB 0.416 42.606 42.059 0.218 0.000 1.119 744 L HN 0.150 nan 8.230 nan 0.000 0.464 745 N N 2.009 120.815 118.700 0.177 0.000 2.495 745 N HA 0.107 4.816 4.740 -0.052 0.000 0.280 745 N C 0.655 176.158 175.510 -0.011 0.000 1.168 745 N CA -0.528 52.586 53.050 0.107 0.000 0.978 745 N CB 1.233 39.745 38.487 0.041 0.000 1.191 745 N HN 0.539 nan 8.380 nan 0.000 0.497 746 E N 0.449 120.586 120.200 -0.105 0.000 2.160 746 E HA -0.179 4.140 4.350 -0.052 0.000 0.195 746 E C 1.634 177.934 176.600 -0.501 0.000 0.991 746 E CA 1.102 57.270 56.400 -0.387 0.000 0.810 746 E CB -0.210 29.397 29.700 -0.154 0.000 0.742 746 E HN 0.633 nan 8.360 nan 0.000 0.466 747 I N -1.007 119.414 120.570 -0.248 0.000 3.001 747 I HA -0.092 4.047 4.170 -0.052 0.000 0.268 747 I C 1.080 177.103 176.117 -0.156 0.000 1.267 747 I CA 0.958 62.152 61.300 -0.177 0.000 1.472 747 I CB -0.009 37.933 38.000 -0.098 0.000 1.089 747 I HN -0.234 nan 8.210 nan 0.000 0.468 748 D N 0.793 121.094 120.400 -0.165 0.000 2.317 748 D HA 0.015 4.624 4.640 -0.052 0.000 0.211 748 D C 0.156 176.492 176.300 0.061 0.000 0.966 748 D CA 1.048 55.044 54.000 -0.006 0.000 0.876 748 D CB 0.035 40.906 40.800 0.118 0.000 0.927 748 D HN 0.636 nan 8.370 nan 0.000 0.519 749 Y N -1.570 118.682 120.300 -0.081 0.000 2.615 749 Y HA 0.674 5.193 4.550 -0.053 0.000 0.341 749 Y C -0.715 175.027 175.900 -0.264 0.000 1.089 749 Y CA -1.546 56.357 58.100 -0.330 0.000 1.049 749 Y CB 1.561 39.588 38.460 -0.721 0.000 1.296 749 Y HN -0.398 nan 8.280 nan 0.000 0.470 750 K N 1.624 121.826 120.400 -0.330 0.000 2.550 750 K HA 0.494 4.783 4.320 -0.052 0.000 0.252 750 K C -2.314 174.092 176.600 -0.324 0.000 0.943 750 K CA -0.574 55.528 56.287 -0.308 0.000 0.806 750 K CB 1.372 33.569 32.500 -0.506 0.000 1.289 750 K HN 0.652 nan 8.250 nan 0.000 0.435 751 F N 2.276 122.205 119.950 -0.035 0.000 2.424 751 F HA 0.345 4.843 4.527 -0.049 0.000 0.356 751 F C 1.278 177.112 175.800 0.057 0.000 1.110 751 F CA 0.277 58.288 58.000 0.019 0.000 1.161 751 F CB 1.384 40.315 39.000 -0.116 0.000 1.115 751 F HN 0.632 nan 8.300 nan 0.000 0.507 752 G N 2.965 111.983 108.800 0.363 0.000 2.543 752 G HA2 0.316 4.245 3.960 -0.052 0.000 0.267 752 G HA3 0.316 4.245 3.960 -0.052 0.000 0.267 752 G C 0.904 176.043 174.900 0.399 0.000 1.406 752 G CA -0.681 44.602 45.100 0.305 0.000 1.048 752 G HN 0.650 nan 8.290 nan 0.000 0.548 753 L N -0.483 120.920 121.223 0.299 0.000 2.093 753 L HA 0.004 4.313 4.340 -0.052 0.000 0.208 753 L C 2.809 179.876 176.870 0.328 0.000 1.085 753 L CA 2.019 57.027 54.840 0.279 0.000 0.755 753 L CB -0.212 41.949 42.059 0.169 0.000 0.904 753 L HN 0.739 nan 8.230 nan 0.000 0.435 754 T N -5.770 108.906 114.554 0.203 0.000 2.992 754 T HA 0.187 4.506 4.350 -0.052 0.000 0.255 754 T C 0.598 175.043 174.700 -0.425 0.000 0.938 754 T CA -0.428 61.571 62.100 -0.167 0.000 0.895 754 T CB 0.451 69.270 68.868 -0.081 0.000 1.221 754 T HN -0.013 nan 8.240 nan 0.000 0.512 755 K N 1.007 121.431 120.400 0.039 0.000 2.259 755 K HA 0.730 5.019 4.320 -0.052 0.000 0.249 755 K C -1.488 175.230 176.600 0.197 0.000 0.942 755 K CA -0.880 55.398 56.287 -0.015 0.000 0.816 755 K CB 3.117 35.458 32.500 -0.266 0.000 1.155 755 K HN 0.064 nan 8.250 nan 0.000 0.428 756 V N 3.641 123.591 119.914 0.061 0.000 2.481 756 V HA 0.494 4.583 4.120 -0.052 0.000 0.286 756 V C -1.399 174.354 176.094 -0.568 0.000 1.042 756 V CA -0.397 61.748 62.300 -0.257 0.000 0.928 756 V CB 0.362 31.939 31.823 -0.411 0.000 0.986 756 V HN 0.524 nan 8.190 nan 0.000 0.462 757 F N 6.047 125.578 119.950 -0.698 0.000 2.522 757 F HA 0.715 5.210 4.527 -0.054 0.000 0.324 757 F C -0.408 174.935 175.800 -0.761 0.000 1.077 757 F CA -0.537 57.100 58.000 -0.604 0.000 0.944 757 F CB 1.891 40.391 39.000 -0.834 0.000 1.175 757 F HN 0.361 nan 8.300 nan 0.000 0.468 758 F N 1.804 121.770 119.950 0.027 0.000 2.532 758 F HA 0.583 5.078 4.527 -0.054 0.000 0.321 758 F C 0.297 176.132 175.800 0.059 0.000 1.089 758 F CA -1.191 56.801 58.000 -0.014 0.000 0.926 758 F CB 1.252 40.090 39.000 -0.269 0.000 1.168 758 F HN 0.200 nan 8.300 nan 0.000 0.459 759 R N 1.511 122.112 120.500 0.167 0.000 2.649 759 R HA 0.338 4.647 4.340 -0.052 0.000 0.270 759 R C -2.458 173.733 176.300 -0.182 0.000 1.105 759 R CA -1.625 54.423 56.100 -0.087 0.000 1.193 759 R CB 0.003 30.226 30.300 -0.129 0.000 1.120 759 R HN 0.250 nan 8.270 nan 0.000 0.561 760 P HA 0.016 nan 4.420 nan 0.000 0.268 760 P C 0.476 177.736 177.300 -0.067 0.000 1.208 760 P CA 0.621 63.653 63.100 -0.113 0.000 0.777 760 P CB 0.384 32.081 31.700 -0.005 0.000 0.875 761 G N 0.883 109.708 108.800 0.041 0.000 2.179 761 G HA2 -0.219 3.710 3.960 -0.052 0.000 0.260 761 G HA3 -0.219 3.710 3.960 -0.052 0.000 0.260 761 G C 0.554 175.474 174.900 0.034 0.000 0.977 761 G CA -0.074 45.079 45.100 0.089 0.000 0.641 761 G HN 0.520 nan 8.290 nan 0.000 0.533 762 K N -0.216 120.116 120.400 -0.113 0.000 2.537 762 K HA 0.427 4.716 4.320 -0.052 0.000 0.206 762 K C 1.250 177.749 176.600 -0.169 0.000 1.041 762 K CA -0.564 55.658 56.287 -0.108 0.000 1.090 762 K CB -0.226 32.232 32.500 -0.071 0.000 0.833 762 K HN 0.350 nan 8.250 nan 0.000 0.493 763 F N 1.365 121.298 119.950 -0.029 0.000 2.171 763 F HA -0.188 4.306 4.527 -0.055 0.000 0.300 763 F C 2.389 178.198 175.800 0.016 0.000 1.090 763 F CA 1.252 59.248 58.000 -0.007 0.000 1.293 763 F CB -0.351 38.625 39.000 -0.040 0.000 1.013 763 F HN 0.106 nan 8.300 nan 0.000 0.486 764 A N 0.318 123.238 122.820 0.166 0.000 1.865 764 A HA -0.228 4.061 4.320 -0.052 0.000 0.217 764 A C 2.026 179.623 177.584 0.022 0.000 1.191 764 A CA 2.038 54.125 52.037 0.083 0.000 0.623 764 A CB -0.827 18.211 19.000 0.064 0.000 0.826 764 A HN 0.334 nan 8.150 nan 0.000 0.444 765 E N -0.968 119.224 120.200 -0.012 0.000 2.077 765 E HA -0.148 4.171 4.350 -0.052 0.000 0.193 765 E C 1.670 178.167 176.600 -0.172 0.000 0.989 765 E CA 1.340 57.697 56.400 -0.073 0.000 0.800 765 E CB -0.449 29.203 29.700 -0.079 0.000 0.746 765 E HN 0.676 nan 8.360 nan 0.000 0.452 766 F N 1.738 121.433 119.950 -0.425 0.000 2.095 766 F HA -0.268 4.231 4.527 -0.048 0.000 0.298 766 F C 1.586 177.210 175.800 -0.293 0.000 1.104 766 F CA 1.650 59.287 58.000 -0.605 0.000 1.232 766 F CB 0.030 38.620 39.000 -0.682 0.000 0.987 766 F HN -0.059 nan 8.300 nan 0.000 0.475 767 D N -0.118 120.185 120.400 -0.163 0.000 2.144 767 D HA -0.176 4.433 4.640 -0.052 0.000 0.199 767 D C 2.251 178.415 176.300 -0.228 0.000 0.984 767 D CA 1.012 54.894 54.000 -0.196 0.000 0.834 767 D CB -0.415 40.367 40.800 -0.030 0.000 0.955 767 D HN 0.398 nan 8.370 nan 0.000 0.465 768 Q N 0.196 119.912 119.800 -0.140 0.000 2.046 768 Q HA -0.051 4.258 4.340 -0.052 0.000 0.200 768 Q C 2.626 178.643 176.000 0.028 0.000 0.975 768 Q CA 0.577 56.361 55.803 -0.032 0.000 0.836 768 Q CB -0.313 28.474 28.738 0.082 0.000 0.896 768 Q HN 0.419 nan 8.270 nan 0.000 0.428 769 I N 0.381 120.909 120.570 -0.070 0.000 2.264 769 I HA -0.258 3.881 4.170 -0.052 0.000 0.248 769 I C 2.112 178.230 176.117 0.000 0.000 1.111 769 I CA 0.907 62.217 61.300 0.016 0.000 1.382 769 I CB -0.192 37.751 38.000 -0.094 0.000 1.060 769 I HN 0.173 nan 8.210 nan 0.000 0.418 770 M N 0.201 119.627 119.600 -0.290 0.000 2.558 770 M HA 0.022 4.471 4.480 -0.052 0.000 0.255 770 M C 0.616 176.792 176.300 -0.208 0.000 1.113 770 M CA 0.682 55.792 55.300 -0.316 0.000 1.097 770 M CB -0.655 31.592 32.600 -0.588 0.000 1.426 770 M HN 0.059 nan 8.290 nan 0.000 0.488 771 K N 1.480 121.762 120.400 -0.196 0.000 2.447 771 K HA 0.017 4.306 4.320 -0.052 0.000 0.281 771 K C 1.106 177.612 176.600 -0.157 0.000 1.031 771 K CA 0.086 56.240 56.287 -0.223 0.000 1.019 771 K CB 0.509 32.746 32.500 -0.439 0.000 0.918 771 K HN 0.180 nan 8.250 nan 0.000 0.476 772 S N 0.657 116.265 115.700 -0.153 0.000 2.540 772 S HA -0.057 4.382 4.470 -0.052 0.000 0.218 772 S C 0.259 174.801 174.600 -0.097 0.000 0.977 772 S CA -0.399 57.717 58.200 -0.139 0.000 0.918 772 S CB -0.024 63.104 63.200 -0.120 0.000 0.806 772 S HN 0.685 nan 8.310 nan 0.000 0.496 773 D N 3.275 123.627 120.400 -0.080 0.000 2.487 773 D HA 0.155 4.764 4.640 -0.052 0.000 0.243 773 D C -1.445 174.839 176.300 -0.027 0.000 1.154 773 D CA -1.323 52.653 54.000 -0.040 0.000 0.876 773 D CB 0.928 41.709 40.800 -0.032 0.000 1.161 773 D HN 0.006 nan 8.370 nan 0.000 0.478 774 P HA -0.156 nan 4.420 nan 0.000 0.215 774 P C 0.662 177.882 177.300 -0.133 0.000 1.157 774 P CA 0.996 64.100 63.100 0.006 0.000 0.874 774 P CB 0.169 31.921 31.700 0.087 0.000 0.790 775 D N -2.211 118.148 120.400 -0.068 0.000 2.104 775 D HA -0.208 4.401 4.640 -0.052 0.000 0.194 775 D C 1.954 178.193 176.300 -0.101 0.000 0.994 775 D CA 1.185 55.135 54.000 -0.083 0.000 0.830 775 D CB -0.963 39.823 40.800 -0.023 0.000 0.959 775 D HN 0.317 nan 8.370 nan 0.000 0.452 776 H N 0.225 119.219 119.070 -0.126 0.000 2.395 776 H HA 0.029 4.555 4.556 -0.051 0.000 0.299 776 H C 2.300 177.563 175.328 -0.107 0.000 1.070 776 H CA 0.686 56.676 56.048 -0.097 0.000 1.356 776 H CB -0.018 29.701 29.762 -0.072 0.000 1.401 776 H HN 0.118 nan 8.280 nan 0.000 0.524 777 L N 0.167 121.322 121.223 -0.113 0.000 2.017 777 L HA -0.175 4.134 4.340 -0.052 0.000 0.208 777 L C 3.086 179.785 176.870 -0.285 0.000 1.073 777 L CA 1.165 55.885 54.840 -0.200 0.000 0.745 777 L CB -0.588 41.279 42.059 -0.321 0.000 0.894 777 L HN 0.230 nan 8.230 nan 0.000 0.432 778 A N -0.341 122.090 122.820 -0.648 0.000 1.902 778 A HA -0.270 4.019 4.320 -0.052 0.000 0.217 778 A C 2.278 179.719 177.584 -0.238 0.000 1.181 778 A CA 1.917 53.607 52.037 -0.579 0.000 0.623 778 A CB -0.566 18.075 19.000 -0.598 0.000 0.818 778 A HN 0.490 nan 8.150 nan 0.000 0.443 779 E N -0.140 119.922 120.200 -0.229 0.000 2.058 779 E HA -0.182 4.137 4.350 -0.052 0.000 0.194 779 E C 1.939 178.448 176.600 -0.151 0.000 0.997 779 E CA 1.313 57.596 56.400 -0.195 0.000 0.801 779 E CB -0.194 29.338 29.700 -0.279 0.000 0.746 779 E HN 0.637 nan 8.360 nan 0.000 0.450 780 L N 0.228 121.367 121.223 -0.140 0.000 2.109 780 L HA -0.128 4.181 4.340 -0.052 0.000 0.207 780 L C 2.552 179.437 176.870 0.024 0.000 1.086 780 L CA 0.547 55.357 54.840 -0.050 0.000 0.760 780 L CB -0.368 41.718 42.059 0.045 0.000 0.910 780 L HN 0.121 nan 8.230 nan 0.000 0.437 781 V N 0.337 120.316 119.914 0.108 0.000 2.343 781 V HA -0.313 3.776 4.120 -0.052 0.000 0.247 781 V C 2.584 178.740 176.094 0.105 0.000 1.051 781 V CA 1.864 64.260 62.300 0.161 0.000 1.036 781 V CB -0.551 31.403 31.823 0.220 0.000 0.654 781 V HN 0.438 nan 8.190 nan 0.000 0.451 782 K N -0.114 120.316 120.400 0.050 0.000 2.103 782 K HA -0.196 4.093 4.320 -0.052 0.000 0.207 782 K C 2.398 179.046 176.600 0.081 0.000 1.048 782 K CA 1.443 57.762 56.287 0.053 0.000 0.930 782 K CB -0.100 32.404 32.500 0.006 0.000 0.716 782 K HN 0.378 nan 8.250 nan 0.000 0.444 783 R N -0.032 120.497 120.500 0.048 0.000 2.081 783 R HA -0.099 4.210 4.340 -0.052 0.000 0.235 783 R C 2.276 178.664 176.300 0.146 0.000 1.131 783 R CA 1.434 57.578 56.100 0.074 0.000 0.960 783 R CB -0.364 29.937 30.300 0.002 0.000 0.856 783 R HN 0.058 nan 8.270 nan 0.000 0.436 784 V N 2.072 122.042 119.914 0.093 0.000 2.287 784 V HA -0.283 3.806 4.120 -0.052 0.000 0.248 784 V C 1.818 178.067 176.094 0.259 0.000 1.053 784 V CA 1.849 64.230 62.300 0.135 0.000 1.027 784 V CB -0.597 31.255 31.823 0.049 0.000 0.646 784 V HN 0.342 nan 8.190 nan 0.000 0.447 785 N N -0.514 118.304 118.700 0.198 0.000 2.104 785 N HA -0.213 4.496 4.740 -0.052 0.000 0.190 785 N C 1.886 177.502 175.510 0.177 0.000 1.024 785 N CA 1.715 54.868 53.050 0.173 0.000 0.853 785 N CB -0.616 37.953 38.487 0.137 0.000 1.008 785 N HN 0.630 nan 8.380 nan 0.000 0.424 786 H N -1.502 117.637 119.070 0.115 0.000 2.423 786 H HA -0.126 4.398 4.556 -0.052 0.000 0.297 786 H C 1.879 177.285 175.328 0.130 0.000 1.075 786 H CA 1.157 57.263 56.048 0.096 0.000 1.342 786 H CB -0.105 29.705 29.762 0.081 0.000 1.395 786 H HN 0.353 nan 8.280 nan 0.000 0.530 787 W N 1.678 122.994 121.300 0.026 0.000 2.388 787 W HA -0.005 4.625 4.660 -0.050 0.000 0.294 787 W C 0.642 177.127 176.519 -0.057 0.000 1.212 787 W CA 0.528 57.861 57.345 -0.020 0.000 1.271 787 W CB -0.420 29.044 29.460 0.008 0.000 1.126 787 W HN -0.054 nan 8.180 nan 0.000 0.535 788 L N 0.000 121.221 121.223 -0.004 0.000 2.949 788 L HA 0.000 4.309 4.340 -0.052 0.000 0.249 788 L CA 0.000 54.719 54.840 -0.202 0.000 0.813 788 L CB 0.000 42.071 42.059 0.020 0.000 0.961 788 L HN 0.000 nan 8.230 nan 0.000 0.502