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 1tf2_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMLGILNKXX XXXXRTLNRY EKIANDIDAI RGDYENLSDD ALKHKTIEFK DATA SEQUENCE ERLEKGATTD DLLVEAFAVV REASRRVTGM FPFKVQLMGG VALHDGNIAE DATA SEQUENCE MKTGEGKTLT STLPVYLNAL TGKGVHVVTV NEYLASRDAE QMGKIFEFLG DATA SEQUENCE LTVGLNLNSM SKDEKREAYA ADITYSTNNE LGFDYLRDNM VLYKEQMVQR DATA SEQUENCE PLHFAVIDEV DSILIDEART PLIISGQAAK STKLYVQANA FVRTLKAEKD DATA SEQUENCE YTYDIKTKAV QLTEEGMTKA EKAFGIDNLF DVKHVALNHH INQALKAHVA DATA SEQUENCE MQKDVDYVVE DGQVVIVDSF TGRLMKGRRY SEGLHQAIEA KEGLEIQNES DATA SEQUENCE MTLATITFQN YFRMYEKLAG MTGTAKTEEE EFRNIYNMQV VTIPTNRPVV DATA SEQUENCE RDDRPDLIYR TMEGKFKAVA EDVAQRYMTG QPVLVGTVAV ETSELISKLL DATA SEQUENCE KNKGIPHQVL NAKNHEREAQ IIEEAGQKGA VTIATNMAGR GTDIKLGEGV DATA SEQUENCE KELGGLAVVG TERHESRRID NQLRGRSGRQ GDPGITQFYL SMEDELMRRF DATA SEQUENCE GAERTMAMLD RFGMDDSTPI QSKMVSRAVE SSQKRVEGNN FDSRKQLLQY DATA SEQUENCE DDVLRQQREV IYKQRFEVID SENLREIVEN MIKSSLERAI AAYTPREXXX DATA SEQUENCE EEWKLDGLVD LINTTYLDEG ALEKSDIFGK EPDEMLELIM DRIITKYNEK DATA SEQUENCE EEQFGKEQMR EFEKVIVLRA VDSKWMDHID AMDQLRQGIH LRAYAQTNPL DATA SEQUENCE REYQMEGFAM FEHMIESIED EVAKFVMKAE I 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.330 175.328 0.003 0.000 0.993 0 H CA 0.000 56.050 56.048 0.004 0.000 1.023 0 H CB 0.000 29.764 29.762 0.003 0.000 1.292 1 M N 1.712 121.418 119.600 0.177 0.000 2.117 1 M HA 0.040 4.520 4.480 -0.001 0.000 0.262 1 M C 1.772 178.106 176.300 0.055 0.000 1.065 1 M CA 1.552 56.902 55.300 0.083 0.000 1.114 1 M CB -0.734 31.904 32.600 0.065 0.000 1.361 1 M HN 0.445 nan 8.290 nan 0.000 0.408 2 L N -0.747 120.503 121.223 0.044 0.000 2.353 2 L HA -0.103 4.236 4.340 -0.001 0.000 0.220 2 L C 2.103 178.986 176.870 0.021 0.000 1.133 2 L CA 0.962 55.813 54.840 0.018 0.000 0.798 2 L CB -1.042 41.013 42.059 -0.006 0.000 0.922 2 L HN 0.538 nan 8.230 nan 0.000 0.445 3 G N 0.070 108.895 108.800 0.041 0.000 2.439 3 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.212 3 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.212 3 G C 1.458 176.378 174.900 0.033 0.000 1.199 3 G CA 0.136 45.260 45.100 0.039 0.000 0.807 3 G HN 0.255 nan 8.290 nan 0.000 0.537 4 I N 0.878 121.472 120.570 0.039 0.000 2.399 4 I HA -0.180 3.989 4.170 -0.001 0.000 0.254 4 I C 2.513 178.641 176.117 0.019 0.000 1.146 4 I CA 0.705 62.021 61.300 0.027 0.000 1.412 4 I CB -0.206 37.809 38.000 0.026 0.000 1.076 4 I HN 0.133 nan 8.210 nan 0.000 0.432 5 L N 0.013 121.247 121.223 0.019 0.000 2.131 5 L HA -0.090 4.249 4.340 -0.001 0.000 0.206 5 L C 2.319 179.195 176.870 0.010 0.000 1.087 5 L CA 0.814 55.662 54.840 0.013 0.000 0.767 5 L CB -0.656 41.411 42.059 0.012 0.000 0.917 5 L HN 0.288 nan 8.230 nan 0.000 0.441 6 N N 0.718 119.425 118.700 0.011 0.000 2.084 6 N HA -0.101 4.638 4.740 -0.001 0.000 0.190 6 N C 0.762 176.276 175.510 0.007 0.000 1.030 6 N CA 0.880 53.934 53.050 0.008 0.000 0.849 6 N CB -0.154 38.338 38.487 0.008 0.000 1.012 6 N HN 0.349 nan 8.380 nan 0.000 0.423 15 T N 0.635 115.189 114.554 -0.000 0.000 3.223 15 T HA 0.329 4.679 4.350 -0.001 0.000 0.259 15 T C 0.813 175.516 174.700 0.004 0.000 1.015 15 T CA -0.380 61.721 62.100 0.001 0.000 0.908 15 T CB -0.111 68.759 68.868 0.003 0.000 1.054 15 T HN 0.400 nan 8.240 nan 0.000 0.567 16 L N 2.865 124.089 121.223 0.002 0.000 2.350 16 L HA 0.449 4.789 4.340 -0.001 0.000 0.275 16 L C 0.617 177.487 176.870 -0.001 0.000 1.099 16 L CA -1.054 53.791 54.840 0.007 0.000 0.808 16 L CB 0.541 42.603 42.059 0.005 0.000 1.149 16 L HN 0.341 nan 8.230 nan 0.000 0.442 17 N N 1.268 119.979 118.700 0.018 0.000 2.408 17 N HA 0.110 4.849 4.740 -0.001 0.000 0.260 17 N C 0.805 176.273 175.510 -0.069 0.000 1.242 17 N CA -0.633 52.422 53.050 0.007 0.000 0.959 17 N CB 0.549 39.090 38.487 0.089 0.000 1.201 17 N HN 0.514 nan 8.380 nan 0.000 0.511 18 R N -0.502 119.874 120.500 -0.207 0.000 2.174 18 R HA -0.272 4.068 4.340 -0.001 0.000 0.253 18 R C 0.689 176.692 176.300 -0.494 0.000 1.165 18 R CA 1.891 57.741 56.100 -0.417 0.000 0.984 18 R CB -0.397 29.526 30.300 -0.629 0.000 0.873 18 R HN 0.785 nan 8.270 nan 0.000 0.456 19 Y N -0.299 119.996 120.300 -0.008 0.000 2.347 19 Y HA 0.091 4.641 4.550 -0.001 0.000 0.294 19 Y C 2.156 178.056 175.900 -0.001 0.000 1.117 19 Y CA 0.648 58.746 58.100 -0.003 0.000 1.184 19 Y CB -0.115 38.349 38.460 0.007 0.000 1.047 19 Y HN 0.089 nan 8.280 nan 0.000 0.546 20 E N 1.019 121.297 120.200 0.129 0.000 2.118 20 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 20 E C 1.863 178.483 176.600 0.033 0.000 0.992 20 E CA 1.318 57.764 56.400 0.077 0.000 0.804 20 E CB -0.095 29.641 29.700 0.059 0.000 0.741 20 E HN 0.441 nan 8.360 nan 0.000 0.458 21 K N 1.206 121.603 120.400 -0.004 0.000 1.963 21 K HA -0.154 4.166 4.320 -0.001 0.000 0.216 21 K C 2.188 178.771 176.600 -0.030 0.000 1.045 21 K CA 1.327 57.597 56.287 -0.027 0.000 0.954 21 K CB -0.130 32.334 32.500 -0.060 0.000 0.732 21 K HN -0.047 nan 8.250 nan 0.000 0.442 22 I N 1.636 122.169 120.570 -0.062 0.000 2.229 22 I HA -0.322 3.847 4.170 -0.001 0.000 0.250 22 I C 2.550 178.648 176.117 -0.032 0.000 1.096 22 I CA 1.808 63.061 61.300 -0.078 0.000 1.358 22 I CB -1.439 36.488 38.000 -0.121 0.000 1.047 22 I HN 0.404 nan 8.210 nan 0.000 0.422 23 A N 1.005 123.835 122.820 0.016 0.000 1.972 23 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 23 A C 2.092 179.698 177.584 0.036 0.000 1.169 23 A CA 1.648 53.712 52.037 0.044 0.000 0.635 23 A CB -0.528 18.515 19.000 0.072 0.000 0.810 23 A HN 0.465 nan 8.150 nan 0.000 0.446 24 N N 0.355 119.070 118.700 0.026 0.000 2.250 24 N HA -0.091 4.648 4.740 -0.001 0.000 0.181 24 N C 1.020 176.545 175.510 0.026 0.000 1.017 24 N CA 1.249 54.317 53.050 0.030 0.000 0.866 24 N CB -0.375 38.127 38.487 0.024 0.000 0.985 24 N HN 0.442 nan 8.380 nan 0.000 0.429 25 D N 1.500 121.904 120.400 0.006 0.000 2.087 25 D HA -0.088 4.551 4.640 -0.001 0.000 0.192 25 D C 2.107 178.420 176.300 0.021 0.000 0.993 25 D CA 0.719 54.720 54.000 0.002 0.000 0.828 25 D CB -0.313 40.469 40.800 -0.029 0.000 0.968 25 D HN 0.239 nan 8.370 nan 0.000 0.448 26 I N 1.091 121.665 120.570 0.007 0.000 2.315 26 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 26 I C 2.134 178.291 176.117 0.066 0.000 1.125 26 I CA 1.076 62.391 61.300 0.024 0.000 1.392 26 I CB -0.163 37.840 38.000 0.006 0.000 1.065 26 I HN -0.083 nan 8.210 nan 0.000 0.424 27 D N 0.813 121.255 120.400 0.069 0.000 2.149 27 D HA -0.112 4.527 4.640 -0.001 0.000 0.201 27 D C 2.164 178.533 176.300 0.114 0.000 0.972 27 D CA 1.390 55.454 54.000 0.106 0.000 0.835 27 D CB 0.102 40.959 40.800 0.095 0.000 0.966 27 D HN 0.285 nan 8.370 nan 0.000 0.476 28 A N 1.397 124.268 122.820 0.085 0.000 1.841 28 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 28 A C 2.200 179.843 177.584 0.098 0.000 1.199 28 A CA 1.746 53.829 52.037 0.076 0.000 0.621 28 A CB -1.216 17.816 19.000 0.053 0.000 0.835 28 A HN 0.494 nan 8.150 nan 0.000 0.445 29 I N -0.766 119.877 120.570 0.121 0.000 3.472 29 I HA -0.018 4.151 4.170 -0.001 0.000 0.313 29 I C 1.589 177.867 176.117 0.269 0.000 1.173 29 I CA 0.935 62.336 61.300 0.168 0.000 1.198 29 I CB -0.548 37.578 38.000 0.211 0.000 0.992 29 I HN 0.461 nan 8.210 nan 0.000 0.538 30 R N 0.761 121.396 120.500 0.225 0.000 2.280 30 R HA 0.080 4.420 4.340 -0.001 0.000 0.207 30 R C 1.686 178.127 176.300 0.235 0.000 1.043 30 R CA 1.093 57.362 56.100 0.283 0.000 1.006 30 R CB -0.463 30.000 30.300 0.271 0.000 0.885 30 R HN 0.404 nan 8.270 nan 0.000 0.467 31 G N 0.480 109.364 108.800 0.140 0.000 2.796 31 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.210 31 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.210 31 G C 0.452 175.366 174.900 0.023 0.000 1.146 31 G CA -0.101 45.041 45.100 0.070 0.000 0.779 31 G HN 0.222 nan 8.290 nan 0.000 0.535 32 D N -0.149 120.231 120.400 -0.034 0.000 2.378 32 D HA 0.025 4.664 4.640 -0.001 0.000 0.227 32 D C 0.576 176.557 176.300 -0.532 0.000 1.012 32 D CA 0.609 54.436 54.000 -0.288 0.000 0.905 32 D CB 0.121 40.678 40.800 -0.406 0.000 0.895 32 D HN 0.551 nan 8.370 nan 0.000 0.532 33 Y N -0.691 119.649 120.300 0.066 0.000 2.437 33 Y HA 0.119 4.669 4.550 -0.001 0.000 0.266 33 Y C 2.002 177.939 175.900 0.062 0.000 1.077 33 Y CA -0.485 57.660 58.100 0.075 0.000 1.235 33 Y CB 0.460 38.980 38.460 0.098 0.000 1.303 33 Y HN -0.251 nan 8.280 nan 0.000 0.536 34 E N 1.349 121.655 120.200 0.177 0.000 2.086 34 E HA -0.202 4.148 4.350 -0.001 0.000 0.200 34 E C 0.810 177.441 176.600 0.052 0.000 1.012 34 E CA 1.447 57.899 56.400 0.086 0.000 0.812 34 E CB -0.094 29.630 29.700 0.038 0.000 0.743 34 E HN 0.432 nan 8.360 nan 0.000 0.453 35 N N -0.175 118.549 118.700 0.040 0.000 2.187 35 N HA 0.019 4.758 4.740 -0.001 0.000 0.212 35 N C 0.271 175.804 175.510 0.038 0.000 1.152 35 N CA -0.219 52.848 53.050 0.028 0.000 0.872 35 N CB 0.585 39.077 38.487 0.007 0.000 1.025 35 N HN 0.052 nan 8.380 nan 0.000 0.514 36 L N 1.421 122.680 121.223 0.060 0.000 2.472 36 L HA 0.011 4.350 4.340 -0.001 0.000 0.273 36 L C 0.873 177.794 176.870 0.083 0.000 1.254 36 L CA 0.354 55.234 54.840 0.067 0.000 0.823 36 L CB 0.379 42.503 42.059 0.109 0.000 1.096 36 L HN 0.103 nan 8.230 nan 0.000 0.521 37 S N -0.552 115.195 115.700 0.077 0.000 2.565 37 S HA 0.331 4.801 4.470 -0.001 0.000 0.290 37 S C 0.552 175.217 174.600 0.107 0.000 1.150 37 S CA -0.670 57.576 58.200 0.077 0.000 1.058 37 S CB 1.133 64.359 63.200 0.042 0.000 1.032 37 S HN 0.592 nan 8.310 nan 0.000 0.510 38 D N 1.632 122.108 120.400 0.126 0.000 2.154 38 D HA -0.160 4.480 4.640 -0.001 0.000 0.190 38 D C 1.075 177.368 176.300 -0.012 0.000 1.003 38 D CA 2.187 56.269 54.000 0.136 0.000 0.849 38 D CB -0.289 40.574 40.800 0.104 0.000 0.942 38 D HN 0.708 nan 8.370 nan 0.000 0.446 39 D N -0.326 120.060 120.400 -0.024 0.000 2.144 39 D HA -0.067 4.572 4.640 -0.001 0.000 0.199 39 D C 1.912 178.224 176.300 0.019 0.000 0.984 39 D CA 1.329 55.306 54.000 -0.038 0.000 0.834 39 D CB -0.416 40.364 40.800 -0.034 0.000 0.955 39 D HN 0.258 nan 8.370 nan 0.000 0.465 40 A N 0.396 123.243 122.820 0.045 0.000 1.930 40 A HA -0.029 4.290 4.320 -0.001 0.000 0.215 40 A C 2.019 179.680 177.584 0.128 0.000 1.176 40 A CA 0.570 52.654 52.037 0.079 0.000 0.632 40 A CB -0.569 18.464 19.000 0.055 0.000 0.819 40 A HN 0.207 nan 8.150 nan 0.000 0.445 41 L N 0.331 121.643 121.223 0.148 0.000 2.017 41 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 41 L C 2.247 179.221 176.870 0.173 0.000 1.073 41 L CA 2.645 57.612 54.840 0.212 0.000 0.745 41 L CB -0.717 41.524 42.059 0.303 0.000 0.894 41 L HN 0.472 nan 8.230 nan 0.000 0.432 42 K N -1.552 118.915 120.400 0.112 0.000 2.057 42 K HA -0.303 4.016 4.320 -0.001 0.000 0.207 42 K C 2.286 178.923 176.600 0.062 0.000 1.049 42 K CA 1.690 58.007 56.287 0.050 0.000 0.931 42 K CB -0.367 32.064 32.500 -0.116 0.000 0.714 42 K HN 0.514 nan 8.250 nan 0.000 0.440 43 H N 0.922 119.979 119.070 -0.022 0.000 2.518 43 H HA -0.045 4.511 4.556 -0.001 0.000 0.292 43 H C 1.408 176.680 175.328 -0.093 0.000 1.068 43 H CA 1.317 57.340 56.048 -0.042 0.000 1.275 43 H CB 0.215 29.955 29.762 -0.037 0.000 1.375 43 H HN 0.096 nan 8.280 nan 0.000 0.563 44 K N -0.469 119.836 120.400 -0.159 0.000 2.113 44 K HA -0.126 4.193 4.320 -0.001 0.000 0.208 44 K C 2.027 178.208 176.600 -0.698 0.000 1.047 44 K CA 1.589 57.605 56.287 -0.452 0.000 0.928 44 K CB -0.624 31.699 32.500 -0.295 0.000 0.716 44 K HN 0.414 nan 8.250 nan 0.000 0.446 45 T N 2.206 116.612 114.554 -0.247 0.000 2.708 45 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 45 T C 1.927 176.540 174.700 -0.145 0.000 1.037 45 T CA 0.944 63.020 62.100 -0.040 0.000 1.146 45 T CB -0.071 68.842 68.868 0.076 0.000 0.865 45 T HN 0.022 nan 8.240 nan 0.000 0.435 46 I N 1.641 122.043 120.570 -0.280 0.000 2.163 46 I HA -0.146 4.023 4.170 -0.001 0.000 0.243 46 I C 2.423 178.372 176.117 -0.281 0.000 1.085 46 I CA 1.488 62.615 61.300 -0.289 0.000 1.347 46 I CB -1.246 36.477 38.000 -0.462 0.000 1.044 46 I HN 0.426 nan 8.210 nan 0.000 0.408 47 E N 0.611 120.537 120.200 -0.457 0.000 2.012 47 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 47 E C 2.345 178.921 176.600 -0.041 0.000 1.007 47 E CA 1.504 57.745 56.400 -0.264 0.000 0.816 47 E CB -0.386 29.112 29.700 -0.337 0.000 0.762 47 E HN 0.420 nan 8.360 nan 0.000 0.451 48 F N 1.357 121.319 119.950 0.020 0.000 2.147 48 F HA -0.264 4.263 4.527 -0.001 0.000 0.301 48 F C 2.449 178.267 175.800 0.030 0.000 1.084 48 F CA 0.775 58.809 58.000 0.056 0.000 1.268 48 F CB -0.195 38.879 39.000 0.124 0.000 1.009 48 F HN -0.038 nan 8.300 nan 0.000 0.486 49 K N 0.307 120.813 120.400 0.177 0.000 2.097 49 K HA -0.171 4.148 4.320 -0.001 0.000 0.205 49 K C 1.792 178.433 176.600 0.068 0.000 1.050 49 K CA 1.468 57.812 56.287 0.094 0.000 0.938 49 K CB -0.262 32.262 32.500 0.041 0.000 0.718 49 K HN 0.375 nan 8.250 nan 0.000 0.442 50 E N 0.749 120.979 120.200 0.051 0.000 2.007 50 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 50 E C 2.096 178.732 176.600 0.061 0.000 0.999 50 E CA 1.176 57.603 56.400 0.044 0.000 0.811 50 E CB -0.041 29.679 29.700 0.033 0.000 0.762 50 E HN 0.210 nan 8.360 nan 0.000 0.450 51 R N 0.560 121.112 120.500 0.086 0.000 2.119 51 R HA -0.184 4.155 4.340 -0.001 0.000 0.246 51 R C 2.494 178.837 176.300 0.072 0.000 1.146 51 R CA 1.233 57.386 56.100 0.090 0.000 0.962 51 R CB -0.478 29.903 30.300 0.135 0.000 0.863 51 R HN 0.210 nan 8.270 nan 0.000 0.442 52 L N 0.313 121.585 121.223 0.081 0.000 2.056 52 L HA -0.159 4.181 4.340 -0.001 0.000 0.207 52 L C 2.675 179.569 176.870 0.040 0.000 1.078 52 L CA 1.286 56.160 54.840 0.058 0.000 0.749 52 L CB -0.477 41.621 42.059 0.065 0.000 0.901 52 L HN 0.324 nan 8.230 nan 0.000 0.433 53 E N 0.696 120.920 120.200 0.041 0.000 2.058 53 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 53 E C 2.061 178.677 176.600 0.026 0.000 0.997 53 E CA 1.375 57.792 56.400 0.029 0.000 0.801 53 E CB 0.171 29.888 29.700 0.029 0.000 0.746 53 E HN 0.420 nan 8.360 nan 0.000 0.450 54 K N -1.213 119.205 120.400 0.031 0.000 1.965 54 K HA -0.120 4.199 4.320 -0.001 0.000 0.218 54 K C 1.751 178.365 176.600 0.023 0.000 1.048 54 K CA 1.477 57.780 56.287 0.027 0.000 0.960 54 K CB -0.135 32.384 32.500 0.032 0.000 0.732 54 K HN 0.302 nan 8.250 nan 0.000 0.444 55 G N -1.260 107.555 108.800 0.025 0.000 4.225 55 G HA2 0.210 4.170 3.960 -0.001 0.000 0.177 55 G HA3 0.210 4.170 3.960 -0.001 0.000 0.177 55 G C -0.239 174.671 174.900 0.018 0.000 0.949 55 G CA 0.063 45.174 45.100 0.019 0.000 0.796 55 G HN 0.440 nan 8.290 nan 0.000 0.504 56 A N 1.011 123.846 122.820 0.024 0.000 2.492 56 A HA 0.594 4.914 4.320 -0.001 0.000 0.236 56 A C 0.940 178.532 177.584 0.013 0.000 1.078 56 A CA 1.210 53.258 52.037 0.019 0.000 0.773 56 A CB 0.019 19.038 19.000 0.031 0.000 1.023 56 A HN 1.118 nan 8.150 nan 0.000 0.504 57 T N -2.283 112.270 114.554 -0.001 0.000 2.950 57 T HA 0.513 4.863 4.350 -0.001 0.000 0.288 57 T C 1.193 175.883 174.700 -0.017 0.000 1.035 57 T CA 0.054 62.155 62.100 0.001 0.000 1.028 57 T CB 0.924 69.793 68.868 0.001 0.000 1.109 57 T HN 0.884 nan 8.240 nan 0.000 0.514 58 T N -0.569 113.993 114.554 0.014 0.000 2.759 58 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 58 T C 1.166 175.783 174.700 -0.138 0.000 1.042 58 T CA 1.714 63.813 62.100 -0.002 0.000 1.140 58 T CB -0.846 68.136 68.868 0.192 0.000 0.864 58 T HN 0.677 nan 8.240 nan 0.000 0.455 59 D N 1.689 122.050 120.400 -0.065 0.000 2.104 59 D HA -0.086 4.554 4.640 -0.001 0.000 0.194 59 D C 2.032 178.224 176.300 -0.181 0.000 0.994 59 D CA 1.307 55.222 54.000 -0.143 0.000 0.830 59 D CB -0.346 40.432 40.800 -0.036 0.000 0.959 59 D HN 0.340 nan 8.370 nan 0.000 0.452 60 D N 0.293 120.624 120.400 -0.115 0.000 2.108 60 D HA -0.145 4.494 4.640 -0.001 0.000 0.190 60 D C 2.141 178.349 176.300 -0.153 0.000 0.995 60 D CA 0.852 54.789 54.000 -0.104 0.000 0.834 60 D CB -0.502 40.265 40.800 -0.056 0.000 0.967 60 D HN 0.249 nan 8.370 nan 0.000 0.446 61 L N 0.691 121.806 121.223 -0.181 0.000 2.456 61 L HA -0.012 4.328 4.340 -0.001 0.000 0.224 61 L C 2.515 179.148 176.870 -0.395 0.000 1.148 61 L CA -0.084 54.583 54.840 -0.288 0.000 0.825 61 L CB -0.368 41.464 42.059 -0.378 0.000 0.937 61 L HN 0.046 nan 8.230 nan 0.000 0.450 62 L N 0.183 121.157 121.223 -0.416 0.000 1.991 62 L HA -0.308 4.031 4.340 -0.001 0.000 0.221 62 L C 2.568 179.051 176.870 -0.646 0.000 1.079 62 L CA 1.803 56.258 54.840 -0.641 0.000 0.778 62 L CB -0.204 41.385 42.059 -0.783 0.000 0.893 62 L HN 0.016 nan 8.230 nan 0.000 0.437 63 V N -0.240 119.408 119.914 -0.444 0.000 2.380 63 V HA -0.324 3.796 4.120 -0.001 0.000 0.251 63 V C 2.343 178.338 176.094 -0.165 0.000 1.063 63 V CA 2.358 64.484 62.300 -0.291 0.000 1.055 63 V CB -0.734 30.988 31.823 -0.168 0.000 0.657 63 V HN 0.549 nan 8.190 nan 0.000 0.455 64 E N 0.145 120.259 120.200 -0.143 0.000 2.086 64 E HA -0.020 4.330 4.350 -0.001 0.000 0.190 64 E C 2.395 178.906 176.600 -0.147 0.000 0.975 64 E CA 0.969 57.354 56.400 -0.024 0.000 0.813 64 E CB -0.345 29.455 29.700 0.167 0.000 0.768 64 E HN 0.567 nan 8.360 nan 0.000 0.457 65 A N 1.336 123.946 122.820 -0.349 0.000 1.892 65 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 65 A C 1.872 179.408 177.584 -0.080 0.000 1.188 65 A CA 1.431 53.280 52.037 -0.314 0.000 0.631 65 A CB -0.768 18.075 19.000 -0.261 0.000 0.822 65 A HN 0.165 nan 8.150 nan 0.000 0.447 66 F N -0.061 119.700 119.950 -0.315 0.000 2.234 66 F HA 0.012 4.538 4.527 -0.001 0.000 0.299 66 F C 2.747 178.359 175.800 -0.314 0.000 1.087 66 F CA 0.180 58.012 58.000 -0.280 0.000 1.340 66 F CB -0.989 37.888 39.000 -0.206 0.000 1.031 66 F HN 0.279 nan 8.300 nan 0.000 0.500 67 A N -0.226 122.514 122.820 -0.133 0.000 1.930 67 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 67 A C 2.435 179.732 177.584 -0.479 0.000 1.175 67 A CA 1.593 53.459 52.037 -0.285 0.000 0.627 67 A CB -1.107 17.709 19.000 -0.307 0.000 0.815 67 A HN 0.143 nan 8.150 nan 0.000 0.443 68 V N -0.279 119.312 119.914 -0.539 0.000 2.261 68 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 68 V C 2.576 178.491 176.094 -0.298 0.000 1.047 68 V CA 2.134 64.187 62.300 -0.412 0.000 1.015 68 V CB -0.891 30.834 31.823 -0.164 0.000 0.642 68 V HN 0.363 nan 8.190 nan 0.000 0.446 69 V N -0.109 119.577 119.914 -0.380 0.000 2.392 69 V HA -0.290 3.829 4.120 -0.001 0.000 0.249 69 V C 2.554 178.449 176.094 -0.331 0.000 1.059 69 V CA 2.380 64.450 62.300 -0.384 0.000 1.051 69 V CB -0.854 30.694 31.823 -0.459 0.000 0.658 69 V HN 0.480 nan 8.190 nan 0.000 0.455 70 R N -0.088 120.208 120.500 -0.340 0.000 2.081 70 R HA -0.230 4.110 4.340 -0.001 0.000 0.235 70 R C 2.378 178.548 176.300 -0.217 0.000 1.131 70 R CA 2.011 57.846 56.100 -0.441 0.000 0.960 70 R CB -0.135 29.820 30.300 -0.576 0.000 0.856 70 R HN 0.546 nan 8.270 nan 0.000 0.436 71 E N 0.396 120.584 120.200 -0.019 0.000 2.028 71 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 71 E C 1.703 178.282 176.600 -0.036 0.000 0.984 71 E CA 1.655 58.151 56.400 0.160 0.000 0.800 71 E CB -0.348 29.440 29.700 0.146 0.000 0.758 71 E HN 0.357 nan 8.360 nan 0.000 0.448 72 A N 0.442 123.169 122.820 -0.154 0.000 1.896 72 A HA -0.309 4.010 4.320 -0.001 0.000 0.220 72 A C 2.513 179.847 177.584 -0.418 0.000 1.206 72 A CA 2.855 54.674 52.037 -0.362 0.000 0.647 72 A CB -1.506 17.341 19.000 -0.255 0.000 0.828 72 A HN 0.391 nan 8.150 nan 0.000 0.455 73 S N -0.735 114.787 115.700 -0.297 0.000 2.359 73 S HA -0.292 4.177 4.470 -0.001 0.000 0.222 73 S C 2.243 176.733 174.600 -0.183 0.000 1.038 73 S CA 1.845 59.889 58.200 -0.260 0.000 1.051 73 S CB -0.513 62.534 63.200 -0.255 0.000 0.944 73 S HN 0.603 nan 8.310 nan 0.000 0.433 74 R N 0.787 121.252 120.500 -0.058 0.000 2.133 74 R HA -0.193 4.147 4.340 -0.001 0.000 0.245 74 R C 2.516 178.769 176.300 -0.079 0.000 1.137 74 R CA 2.106 58.218 56.100 0.020 0.000 0.947 74 R CB -0.434 29.978 30.300 0.187 0.000 0.865 74 R HN 0.498 nan 8.270 nan 0.000 0.437 75 R N -0.451 119.960 120.500 -0.149 0.000 2.062 75 R HA -0.072 4.268 4.340 -0.001 0.000 0.231 75 R C 2.383 178.565 176.300 -0.196 0.000 1.136 75 R CA 1.646 57.641 56.100 -0.176 0.000 0.948 75 R CB -0.376 29.775 30.300 -0.250 0.000 0.845 75 R HN 0.142 nan 8.270 nan 0.000 0.430 76 V N 0.606 120.333 119.914 -0.312 0.000 2.548 76 V HA -0.160 3.960 4.120 -0.001 0.000 0.249 76 V C 2.254 178.268 176.094 -0.134 0.000 1.055 76 V CA 2.182 64.344 62.300 -0.229 0.000 1.065 76 V CB -0.300 31.337 31.823 -0.310 0.000 0.681 76 V HN 0.595 nan 8.190 nan 0.000 0.462 77 T N -4.832 109.641 114.554 -0.135 0.000 2.987 77 T HA 0.425 4.774 4.350 -0.001 0.000 0.248 77 T C 1.552 176.209 174.700 -0.072 0.000 0.997 77 T CA 1.093 63.134 62.100 -0.098 0.000 1.013 77 T CB 1.154 69.953 68.868 -0.115 0.000 1.077 77 T HN 0.833 nan 8.240 nan 0.000 0.483 78 G N 1.727 110.486 108.800 -0.069 0.000 2.195 78 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.224 78 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.224 78 G C -0.032 174.847 174.900 -0.036 0.000 0.990 78 G CA -0.034 45.040 45.100 -0.043 0.000 0.639 78 G HN 0.574 nan 8.290 nan 0.000 0.514 79 M N 0.498 120.058 119.600 -0.067 0.000 2.209 79 M HA 0.645 5.124 4.480 -0.001 0.000 0.355 79 M C -0.828 175.427 176.300 -0.074 0.000 1.171 79 M CA -0.702 54.533 55.300 -0.109 0.000 1.069 79 M CB 1.510 34.002 32.600 -0.179 0.000 1.622 79 M HN 0.073 nan 8.290 nan 0.000 0.459 80 F N 5.053 124.841 119.950 -0.269 0.000 2.347 80 F HA 0.485 5.012 4.527 -0.001 0.000 0.366 80 F C -2.095 173.493 175.800 -0.353 0.000 1.107 80 F CA -2.699 55.163 58.000 -0.231 0.000 1.058 80 F CB 1.062 39.988 39.000 -0.123 0.000 1.236 80 F HN 0.345 nan 8.300 nan 0.000 0.456 81 P HA -0.153 nan 4.420 nan 0.000 0.245 81 P C -0.353 176.720 177.300 -0.379 0.000 1.123 81 P CA 0.891 63.668 63.100 -0.538 0.000 0.853 81 P CB -0.409 31.000 31.700 -0.487 0.000 0.786 82 F N 2.451 122.340 119.950 -0.101 0.000 2.668 82 F HA -0.133 4.394 4.527 -0.001 0.000 0.338 82 F C 2.146 177.913 175.800 -0.055 0.000 1.194 82 F CA -0.337 57.637 58.000 -0.043 0.000 1.385 82 F CB 0.292 39.282 39.000 -0.016 0.000 1.088 82 F HN 0.294 nan 8.300 nan 0.000 0.624 83 K N 0.747 121.271 120.400 0.207 0.000 2.148 83 K HA -0.090 4.230 4.320 -0.001 0.000 0.204 83 K C 1.730 178.389 176.600 0.098 0.000 1.050 83 K CA 1.709 58.061 56.287 0.109 0.000 0.942 83 K CB -1.637 30.920 32.500 0.096 0.000 0.724 83 K HN 0.592 nan 8.250 nan 0.000 0.446 84 V N 0.406 120.388 119.914 0.113 0.000 2.332 84 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 84 V C 2.428 178.563 176.094 0.069 0.000 1.055 84 V CA 1.604 63.950 62.300 0.077 0.000 1.038 84 V CB -1.195 30.665 31.823 0.061 0.000 0.651 84 V HN 0.198 nan 8.190 nan 0.000 0.450 85 Q N 0.467 120.319 119.800 0.086 0.000 2.170 85 Q HA -0.081 4.259 4.340 -0.001 0.000 0.203 85 Q C 2.317 178.321 176.000 0.007 0.000 0.976 85 Q CA 1.962 57.779 55.803 0.023 0.000 0.858 85 Q CB -0.410 28.313 28.738 -0.026 0.000 0.907 85 Q HN 0.683 nan 8.270 nan 0.000 0.433 86 L N -0.292 120.950 121.223 0.032 0.000 2.046 86 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 86 L C 2.446 179.418 176.870 0.171 0.000 1.077 86 L CA 1.021 55.919 54.840 0.097 0.000 0.747 86 L CB -0.589 41.525 42.059 0.091 0.000 0.896 86 L HN 0.285 nan 8.230 nan 0.000 0.432 87 M N 0.179 119.858 119.600 0.131 0.000 2.159 87 M HA -0.115 4.364 4.480 -0.001 0.000 0.263 87 M C 2.401 178.769 176.300 0.113 0.000 1.063 87 M CA 1.884 57.284 55.300 0.166 0.000 1.110 87 M CB -0.993 31.677 32.600 0.116 0.000 1.374 87 M HN 0.393 nan 8.290 nan 0.000 0.411 88 G N 0.223 109.049 108.800 0.043 0.000 2.421 88 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 88 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 88 G C 1.528 176.464 174.900 0.060 0.000 1.171 88 G CA 1.000 46.099 45.100 -0.001 0.000 0.775 88 G HN 0.551 nan 8.290 nan 0.000 0.543 89 G N 0.430 109.285 108.800 0.091 0.000 2.440 89 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 89 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 89 G C 1.805 176.935 174.900 0.382 0.000 1.154 89 G CA 1.340 46.522 45.100 0.136 0.000 0.767 89 G HN 0.340 nan 8.290 nan 0.000 0.552 90 V N 1.645 121.825 119.914 0.444 0.000 2.287 90 V HA -0.185 3.934 4.120 -0.001 0.000 0.248 90 V C 3.349 179.648 176.094 0.342 0.000 1.053 90 V CA 2.119 64.637 62.300 0.362 0.000 1.027 90 V CB -1.043 30.956 31.823 0.294 0.000 0.646 90 V HN 0.499 nan 8.190 nan 0.000 0.447 91 A N -0.077 122.913 122.820 0.283 0.000 1.883 91 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 91 A C 2.225 179.880 177.584 0.119 0.000 1.186 91 A CA 2.077 54.213 52.037 0.166 0.000 0.624 91 A CB -0.595 18.341 19.000 -0.107 0.000 0.822 91 A HN 0.517 nan 8.150 nan 0.000 0.444 92 L N -1.505 119.786 121.223 0.115 0.000 2.017 92 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 92 L C 2.739 179.695 176.870 0.143 0.000 1.073 92 L CA 1.737 56.644 54.840 0.111 0.000 0.745 92 L CB -0.931 41.199 42.059 0.117 0.000 0.894 92 L HN 0.616 nan 8.230 nan 0.000 0.432 93 H N 0.682 119.819 119.070 0.111 0.000 2.426 93 H HA -0.194 4.361 4.556 -0.001 0.000 0.298 93 H C 1.074 176.369 175.328 -0.055 0.000 1.107 93 H CA 1.697 57.757 56.048 0.020 0.000 1.298 93 H CB 0.099 29.927 29.762 0.110 0.000 1.377 93 H HN 0.380 nan 8.280 nan 0.000 0.519 94 D N -0.234 120.178 120.400 0.021 0.000 2.378 94 D HA 0.037 4.677 4.640 -0.001 0.000 0.227 94 D C 1.309 177.563 176.300 -0.076 0.000 1.012 94 D CA 0.945 54.929 54.000 -0.026 0.000 0.905 94 D CB -0.346 40.505 40.800 0.085 0.000 0.895 94 D HN 0.631 nan 8.370 nan 0.000 0.532 95 G N 0.944 109.688 108.800 -0.093 0.000 2.182 95 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.248 95 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.248 95 G C 0.230 175.118 174.900 -0.019 0.000 1.042 95 G CA -0.204 44.869 45.100 -0.045 0.000 0.775 95 G HN 0.235 nan 8.290 nan 0.000 0.501 96 N N -0.959 117.728 118.700 -0.021 0.000 3.002 96 N HA 0.655 5.395 4.740 -0.001 0.000 0.331 96 N C -0.048 175.386 175.510 -0.126 0.000 1.384 96 N CA -0.705 52.309 53.050 -0.059 0.000 0.780 96 N CB 0.980 39.453 38.487 -0.023 0.000 1.492 96 N HN 0.112 nan 8.380 nan 0.000 0.608 97 I N 1.127 121.583 120.570 -0.191 0.000 2.312 97 I HA 0.317 4.486 4.170 -0.001 0.000 0.290 97 I C -0.007 175.993 176.117 -0.195 0.000 1.008 97 I CA -0.671 60.469 61.300 -0.267 0.000 1.226 97 I CB 1.286 39.010 38.000 -0.461 0.000 1.371 97 I HN 0.416 nan 8.210 nan 0.000 0.468 98 A N 6.322 129.043 122.820 -0.165 0.000 2.269 98 A HA 0.264 4.584 4.320 -0.001 0.000 0.302 98 A C 0.090 177.595 177.584 -0.132 0.000 1.266 98 A CA -0.378 51.574 52.037 -0.143 0.000 0.894 98 A CB 0.200 19.137 19.000 -0.105 0.000 1.147 98 A HN 0.773 nan 8.150 nan 0.000 0.537 99 E N 3.949 124.075 120.200 -0.123 0.000 2.014 99 E HA 0.440 4.789 4.350 -0.001 0.000 0.275 99 E C -0.976 175.582 176.600 -0.071 0.000 0.997 99 E CA -0.167 56.179 56.400 -0.090 0.000 0.804 99 E CB 0.272 29.928 29.700 -0.072 0.000 1.090 99 E HN 0.688 nan 8.360 nan 0.000 0.401 100 M N 4.682 124.247 119.600 -0.058 0.000 2.125 100 M HA 0.328 4.808 4.480 -0.001 0.000 0.321 100 M C -0.071 176.216 176.300 -0.022 0.000 0.983 100 M CA -0.980 54.297 55.300 -0.038 0.000 0.934 100 M CB 1.614 34.195 32.600 -0.032 0.000 1.542 100 M HN 0.149 nan 8.290 nan 0.000 0.424 101 K N 1.426 121.817 120.400 -0.015 0.000 2.505 101 K HA 0.022 4.342 4.320 -0.001 0.000 0.272 101 K C 0.089 176.690 176.600 0.003 0.000 0.963 101 K CA 0.518 56.802 56.287 -0.004 0.000 0.932 101 K CB 0.134 32.634 32.500 -0.001 0.000 0.924 101 K HN 0.591 nan 8.250 nan 0.000 0.520 102 T N 0.686 115.246 114.554 0.009 0.000 2.928 102 T HA 0.228 4.578 4.350 -0.001 0.000 0.305 102 T C 1.255 175.967 174.700 0.021 0.000 1.035 102 T CA 1.309 63.417 62.100 0.014 0.000 1.145 102 T CB 0.287 69.167 68.868 0.020 0.000 0.963 102 T HN 0.689 nan 8.240 nan 0.000 0.545 103 G N 3.221 112.036 108.800 0.025 0.000 2.217 103 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.246 103 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.246 103 G C 0.920 175.851 174.900 0.051 0.000 0.990 103 G CA 0.135 45.257 45.100 0.036 0.000 0.627 103 G HN 0.639 nan 8.290 nan 0.000 0.522 104 E N 0.550 120.776 120.200 0.043 0.000 2.409 104 E HA 0.176 4.526 4.350 -0.001 0.000 0.198 104 E C 2.000 178.651 176.600 0.085 0.000 1.024 104 E CA 1.525 57.964 56.400 0.065 0.000 0.861 104 E CB -0.497 29.224 29.700 0.036 0.000 0.788 104 E HN 1.736 nan 8.360 nan 0.000 0.521 105 G N 1.334 110.162 108.800 0.046 0.000 2.141 105 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.195 105 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.195 105 G C 0.846 175.738 174.900 -0.014 0.000 1.012 105 G CA 0.384 45.494 45.100 0.016 0.000 0.696 105 G HN 0.230 nan 8.290 nan 0.000 0.508 106 K N -0.413 119.981 120.400 -0.011 0.000 2.107 106 K HA -0.218 4.102 4.320 -0.001 0.000 0.211 106 K C 2.625 179.205 176.600 -0.034 0.000 1.049 106 K CA 2.267 58.537 56.287 -0.028 0.000 0.927 106 K CB -0.282 32.199 32.500 -0.031 0.000 0.714 106 K HN 0.523 nan 8.250 nan 0.000 0.452 107 T N 1.778 116.319 114.554 -0.022 0.000 2.643 107 T HA -0.165 4.184 4.350 -0.001 0.000 0.264 107 T C 1.713 176.406 174.700 -0.012 0.000 1.045 107 T CA 1.209 63.306 62.100 -0.005 0.000 1.155 107 T CB -0.328 68.544 68.868 0.007 0.000 0.863 107 T HN 0.095 nan 8.240 nan 0.000 0.420 108 L N 1.518 122.711 121.223 -0.048 0.000 2.042 108 L HA -0.094 4.246 4.340 -0.001 0.000 0.210 108 L C 2.467 179.268 176.870 -0.114 0.000 1.076 108 L CA 1.925 56.707 54.840 -0.096 0.000 0.749 108 L CB -1.601 40.373 42.059 -0.142 0.000 0.893 108 L HN 0.259 nan 8.230 nan 0.000 0.432 109 T N -0.636 113.858 114.554 -0.100 0.000 2.721 109 T HA -0.233 4.117 4.350 -0.001 0.000 0.268 109 T C 2.000 176.636 174.700 -0.107 0.000 1.038 109 T CA 1.759 63.794 62.100 -0.109 0.000 1.145 109 T CB -0.653 68.174 68.868 -0.068 0.000 0.858 109 T HN 0.703 nan 8.240 nan 0.000 0.459 110 S N 1.750 117.416 115.700 -0.057 0.000 2.428 110 S HA -0.137 4.333 4.470 -0.001 0.000 0.230 110 S C 2.261 176.883 174.600 0.036 0.000 1.014 110 S CA 1.432 59.620 58.200 -0.021 0.000 0.957 110 S CB -1.126 62.063 63.200 -0.018 0.000 0.784 110 S HN 0.727 nan 8.310 nan 0.000 0.499 111 T N 1.196 115.779 114.554 0.049 0.000 2.897 111 T HA 0.004 4.353 4.350 -0.001 0.000 0.271 111 T C 1.681 176.390 174.700 0.015 0.000 1.084 111 T CA 1.130 63.314 62.100 0.140 0.000 1.123 111 T CB -0.853 67.902 68.868 -0.188 0.000 0.865 111 T HN 0.407 nan 8.240 nan 0.000 0.496 112 L N 1.605 122.676 121.223 -0.252 0.000 1.925 112 L HA 0.026 4.365 4.340 -0.001 0.000 0.215 112 L C 0.133 176.736 176.870 -0.445 0.000 1.082 112 L CA 1.526 55.966 54.840 -0.667 0.000 0.764 112 L CB -1.778 39.564 42.059 -1.195 0.000 0.887 112 L HN 0.205 nan 8.230 nan 0.000 0.432 113 P HA -0.091 nan 4.420 nan 0.000 0.225 113 P C 1.802 179.283 177.300 0.301 0.000 1.148 113 P CA 1.107 64.323 63.100 0.193 0.000 0.779 113 P CB 0.092 31.967 31.700 0.291 0.000 0.780 114 V N -0.469 119.602 119.914 0.261 0.000 2.307 114 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 114 V C 2.623 178.900 176.094 0.305 0.000 1.045 114 V CA 1.831 64.293 62.300 0.269 0.000 1.024 114 V CB -1.516 30.417 31.823 0.183 0.000 0.651 114 V HN 0.019 nan 8.190 nan 0.000 0.449 115 Y N 0.276 120.746 120.300 0.285 0.000 2.097 115 Y HA -0.299 4.251 4.550 -0.001 0.000 0.282 115 Y C 2.353 178.384 175.900 0.218 0.000 1.152 115 Y CA 2.071 60.348 58.100 0.295 0.000 1.136 115 Y CB -0.259 38.364 38.460 0.273 0.000 0.975 115 Y HN 0.199 nan 8.280 nan 0.000 0.498 116 L N 1.471 123.026 121.223 0.554 0.000 1.990 116 L HA -0.303 4.036 4.340 -0.001 0.000 0.213 116 L C 1.791 178.809 176.870 0.247 0.000 1.072 116 L CA 2.189 57.271 54.840 0.404 0.000 0.755 116 L CB -1.154 41.145 42.059 0.400 0.000 0.889 116 L HN 0.347 nan 8.230 nan 0.000 0.432 117 N N -0.740 118.114 118.700 0.257 0.000 2.550 117 N HA -0.010 4.729 4.740 -0.001 0.000 0.186 117 N C 1.329 176.987 175.510 0.247 0.000 1.110 117 N CA 0.846 54.025 53.050 0.216 0.000 0.912 117 N CB 0.111 38.652 38.487 0.090 0.000 0.968 117 N HN 0.493 nan 8.380 nan 0.000 0.448 118 A N 0.167 123.079 122.820 0.154 0.000 2.238 118 A HA 0.181 4.500 4.320 -0.001 0.000 0.210 118 A C 2.046 179.628 177.584 -0.003 0.000 1.179 118 A CA -0.104 51.978 52.037 0.075 0.000 0.827 118 A CB -0.033 18.971 19.000 0.006 0.000 0.856 118 A HN 0.117 nan 8.150 nan 0.000 0.488 119 L N -0.166 121.052 121.223 -0.009 0.000 2.156 119 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 119 L C 2.777 179.649 176.870 0.004 0.000 1.095 119 L CA 1.628 56.458 54.840 -0.018 0.000 0.770 119 L CB -0.652 41.425 42.059 0.031 0.000 0.914 119 L HN 0.562 nan 8.230 nan 0.000 0.439 120 T N -2.562 111.994 114.554 0.004 0.000 3.113 120 T HA 0.047 4.396 4.350 -0.001 0.000 0.263 120 T C 1.445 176.114 174.700 -0.052 0.000 1.143 120 T CA 0.584 62.668 62.100 -0.027 0.000 1.090 120 T CB -0.190 68.643 68.868 -0.059 0.000 0.922 120 T HN 0.507 nan 8.240 nan 0.000 0.521 121 G N 1.454 110.229 108.800 -0.041 0.000 2.160 121 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.244 121 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.244 121 G C 0.518 175.383 174.900 -0.057 0.000 1.022 121 G CA 0.400 45.481 45.100 -0.033 0.000 0.741 121 G HN 0.594 nan 8.290 nan 0.000 0.508 122 K N -0.046 120.278 120.400 -0.127 0.000 2.358 122 K HA 0.446 4.765 4.320 -0.001 0.000 0.197 122 K C 1.330 177.927 176.600 -0.007 0.000 1.025 122 K CA 0.276 56.452 56.287 -0.185 0.000 1.104 122 K CB 0.766 32.888 32.500 -0.631 0.000 0.855 122 K HN 1.558 nan 8.250 nan 0.000 0.531 123 G N 1.053 109.898 108.800 0.075 0.000 2.716 123 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.686 123 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.686 123 G C -0.835 174.197 174.900 0.220 0.000 1.337 123 G CA -0.948 44.239 45.100 0.144 0.000 0.829 123 G HN -0.005 nan 8.290 nan 0.000 0.599 124 V N 2.346 122.342 119.914 0.138 0.000 2.668 124 V HA 0.470 4.590 4.120 -0.001 0.000 0.304 124 V C -0.061 176.050 176.094 0.028 0.000 1.071 124 V CA -0.931 61.403 62.300 0.058 0.000 0.894 124 V CB 1.941 33.827 31.823 0.105 0.000 1.008 124 V HN 0.901 nan 8.190 nan 0.000 0.425 125 H N 2.844 121.851 119.070 -0.105 0.000 2.552 125 H HA 0.553 5.109 4.556 -0.001 0.000 0.311 125 H C -0.632 174.489 175.328 -0.345 0.000 1.071 125 H CA -0.837 55.119 56.048 -0.153 0.000 1.307 125 H CB 1.869 31.650 29.762 0.031 0.000 1.416 125 H HN 0.437 nan 8.280 nan 0.000 0.464 126 V N 5.629 125.345 119.914 -0.331 0.000 2.294 126 V HA 0.095 4.215 4.120 -0.001 0.000 0.272 126 V C 0.114 175.967 176.094 -0.401 0.000 1.027 126 V CA -0.696 61.284 62.300 -0.533 0.000 0.823 126 V CB 0.760 31.956 31.823 -1.045 0.000 1.030 126 V HN 0.476 nan 8.190 nan 0.000 0.457 127 V N 4.597 124.346 119.914 -0.275 0.000 2.546 127 V HA 0.574 4.694 4.120 -0.001 0.000 0.284 127 V C 0.554 176.552 176.094 -0.160 0.000 1.050 127 V CA -0.015 62.183 62.300 -0.169 0.000 0.981 127 V CB 1.449 33.205 31.823 -0.112 0.000 0.990 127 V HN 0.932 nan 8.190 nan 0.000 0.474 128 T N 1.885 116.384 114.554 -0.092 0.000 2.888 128 T HA 0.401 4.751 4.350 -0.001 0.000 0.288 128 T C 1.112 175.780 174.700 -0.052 0.000 1.063 128 T CA -0.103 61.955 62.100 -0.070 0.000 1.010 128 T CB 1.771 70.623 68.868 -0.027 0.000 1.214 128 T HN 0.498 nan 8.240 nan 0.000 0.533 129 V N -1.129 118.759 119.914 -0.044 0.000 2.591 129 V HA 0.155 4.274 4.120 -0.001 0.000 0.249 129 V C 0.334 176.430 176.094 0.004 0.000 1.053 129 V CA 0.935 63.221 62.300 -0.023 0.000 1.068 129 V CB -1.447 30.355 31.823 -0.036 0.000 0.689 129 V HN 0.956 nan 8.190 nan 0.000 0.462 130 N N -1.977 116.718 118.700 -0.008 0.000 2.405 130 N HA 0.257 4.997 4.740 -0.001 0.000 0.274 130 N C 0.011 175.568 175.510 0.077 0.000 1.170 130 N CA -0.501 52.576 53.050 0.045 0.000 0.848 130 N CB 0.966 39.430 38.487 -0.039 0.000 1.629 130 N HN 0.066 nan 8.380 nan 0.000 0.481 131 E N -0.313 119.957 120.200 0.117 0.000 2.284 131 E HA -0.328 4.021 4.350 -0.001 0.000 0.200 131 E C 0.477 177.134 176.600 0.094 0.000 1.008 131 E CA 1.440 57.899 56.400 0.099 0.000 0.829 131 E CB -0.300 29.466 29.700 0.111 0.000 0.744 131 E HN 0.651 nan 8.360 nan 0.000 0.491 132 Y N 1.472 121.802 120.300 0.051 0.000 2.114 132 Y HA -0.201 4.348 4.550 -0.001 0.000 0.284 132 Y C 1.972 177.882 175.900 0.017 0.000 1.143 132 Y CA 1.509 59.635 58.100 0.043 0.000 1.135 132 Y CB -0.390 38.110 38.460 0.067 0.000 0.980 132 Y HN -0.087 nan 8.280 nan 0.000 0.499 133 L N -0.001 121.074 121.223 -0.246 0.000 2.056 133 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 133 L C 2.816 179.595 176.870 -0.151 0.000 1.078 133 L CA 1.104 55.781 54.840 -0.273 0.000 0.749 133 L CB -1.121 40.903 42.059 -0.059 0.000 0.901 133 L HN 0.355 nan 8.230 nan 0.000 0.433 134 A N -0.730 122.061 122.820 -0.048 0.000 1.933 134 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 134 A C 2.512 180.074 177.584 -0.037 0.000 1.175 134 A CA 2.141 54.207 52.037 0.048 0.000 0.628 134 A CB -0.473 18.561 19.000 0.057 0.000 0.814 134 A HN 0.356 nan 8.150 nan 0.000 0.444 135 S N -1.470 114.158 115.700 -0.120 0.000 2.425 135 S HA -0.033 4.437 4.470 -0.001 0.000 0.225 135 S C 2.080 176.542 174.600 -0.230 0.000 1.024 135 S CA 0.805 58.914 58.200 -0.153 0.000 0.951 135 S CB -0.212 62.933 63.200 -0.092 0.000 0.796 135 S HN 0.660 nan 8.310 nan 0.000 0.498 136 R N 1.437 121.737 120.500 -0.334 0.000 2.064 136 R HA -0.109 4.231 4.340 -0.001 0.000 0.228 136 R C 1.427 177.585 176.300 -0.237 0.000 1.144 136 R CA 1.893 57.801 56.100 -0.320 0.000 0.932 136 R CB -0.544 29.457 30.300 -0.498 0.000 0.833 136 R HN 0.198 nan 8.270 nan 0.000 0.429 137 D N 0.732 121.011 120.400 -0.201 0.000 2.137 137 D HA -0.219 4.421 4.640 -0.001 0.000 0.189 137 D C 1.826 177.867 176.300 -0.432 0.000 0.998 137 D CA 2.009 55.932 54.000 -0.130 0.000 0.839 137 D CB -0.719 40.182 40.800 0.169 0.000 0.962 137 D HN 0.425 nan 8.370 nan 0.000 0.446 138 A N 0.674 122.919 122.820 -0.958 0.000 1.940 138 A HA -0.322 3.998 4.320 -0.001 0.000 0.221 138 A C 2.140 179.437 177.584 -0.480 0.000 1.190 138 A CA 2.722 54.008 52.037 -1.253 0.000 0.647 138 A CB -0.815 17.658 19.000 -0.879 0.000 0.821 138 A HN 0.362 nan 8.150 nan 0.000 0.457 139 E N -0.036 119.983 120.200 -0.302 0.000 2.047 139 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 139 E C 2.071 178.605 176.600 -0.110 0.000 0.987 139 E CA 1.985 58.290 56.400 -0.159 0.000 0.799 139 E CB -0.439 29.184 29.700 -0.128 0.000 0.752 139 E HN 0.754 nan 8.360 nan 0.000 0.449 140 Q N -0.832 118.897 119.800 -0.118 0.000 2.033 140 Q HA -0.023 4.317 4.340 -0.001 0.000 0.196 140 Q C 2.180 178.146 176.000 -0.056 0.000 0.970 140 Q CA 1.377 57.135 55.803 -0.074 0.000 0.828 140 Q CB -0.131 28.565 28.738 -0.070 0.000 0.895 140 Q HN 0.338 nan 8.270 nan 0.000 0.440 141 M N 0.233 119.811 119.600 -0.036 0.000 2.254 141 M HA -0.013 4.467 4.480 -0.001 0.000 0.265 141 M C 2.249 178.629 176.300 0.133 0.000 1.066 141 M CA 1.321 56.642 55.300 0.036 0.000 1.123 141 M CB -1.433 31.327 32.600 0.267 0.000 1.388 141 M HN 0.348 nan 8.290 nan 0.000 0.425 142 G N 0.676 109.578 108.800 0.170 0.000 2.469 142 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.220 142 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.220 142 G C 1.786 176.808 174.900 0.203 0.000 1.136 142 G CA 1.004 46.276 45.100 0.288 0.000 0.759 142 G HN 0.419 nan 8.290 nan 0.000 0.562 143 K N -0.308 120.137 120.400 0.074 0.000 2.211 143 K HA 0.007 4.327 4.320 -0.001 0.000 0.204 143 K C 2.297 178.931 176.600 0.058 0.000 1.047 143 K CA 0.810 57.134 56.287 0.061 0.000 0.935 143 K CB -0.147 32.362 32.500 0.015 0.000 0.728 143 K HN 0.412 nan 8.250 nan 0.000 0.452 144 I N -0.562 119.967 120.570 -0.067 0.000 2.296 144 I HA -0.180 3.989 4.170 -0.001 0.000 0.242 144 I C 1.656 177.749 176.117 -0.041 0.000 1.087 144 I CA 0.970 62.164 61.300 -0.176 0.000 1.393 144 I CB -0.251 37.480 38.000 -0.447 0.000 1.093 144 I HN 0.015 nan 8.210 nan 0.000 0.421 145 F N 1.623 121.674 119.950 0.168 0.000 2.069 145 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 145 F C 2.562 178.478 175.800 0.194 0.000 1.113 145 F CA 1.448 59.573 58.000 0.208 0.000 1.214 145 F CB -0.781 38.316 39.000 0.163 0.000 0.978 145 F HN 0.057 nan 8.300 nan 0.000 0.474 146 E N -0.217 120.185 120.200 0.337 0.000 2.160 146 E HA -0.259 4.090 4.350 -0.001 0.000 0.195 146 E C 2.020 178.738 176.600 0.197 0.000 0.991 146 E CA 1.431 57.962 56.400 0.218 0.000 0.810 146 E CB -0.586 29.210 29.700 0.160 0.000 0.742 146 E HN 0.467 nan 8.360 nan 0.000 0.466 147 F N 1.375 121.379 119.950 0.090 0.000 2.126 147 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 147 F C 1.627 177.484 175.800 0.094 0.000 1.096 147 F CA 1.233 59.273 58.000 0.066 0.000 1.255 147 F CB 0.098 39.115 39.000 0.029 0.000 0.997 147 F HN -0.111 nan 8.300 nan 0.000 0.479 148 L N 0.484 121.932 121.223 0.375 0.000 2.737 148 L HA 0.277 4.616 4.340 -0.001 0.000 0.236 148 L C 1.048 178.041 176.870 0.205 0.000 1.219 148 L CA 0.246 55.281 54.840 0.325 0.000 1.021 148 L CB -1.055 41.325 42.059 0.535 0.000 1.291 148 L HN 0.362 nan 8.230 nan 0.000 0.470 149 G N 1.369 110.239 108.800 0.116 0.000 2.359 149 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.298 149 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.298 149 G C -0.417 174.537 174.900 0.090 0.000 1.030 149 G CA 0.048 45.194 45.100 0.077 0.000 1.149 149 G HN 0.317 nan 8.290 nan 0.000 0.512 150 L N 0.168 121.470 121.223 0.132 0.000 2.422 150 L HA 0.614 4.953 4.340 -0.001 0.000 0.264 150 L C 0.642 177.577 176.870 0.108 0.000 0.984 150 L CA -0.753 54.149 54.840 0.103 0.000 0.819 150 L CB 2.501 44.633 42.059 0.122 0.000 1.330 150 L HN 0.364 nan 8.230 nan 0.000 0.410 151 T N -0.098 114.490 114.554 0.057 0.000 2.728 151 T HA 0.510 4.860 4.350 -0.001 0.000 0.296 151 T C -0.201 174.513 174.700 0.023 0.000 0.940 151 T CA -0.640 61.489 62.100 0.048 0.000 1.013 151 T CB 0.950 69.840 68.868 0.037 0.000 0.912 151 T HN 0.160 nan 8.240 nan 0.000 0.484 152 V N 3.492 123.426 119.914 0.034 0.000 2.465 152 V HA 0.712 4.831 4.120 -0.001 0.000 0.279 152 V C 0.965 177.063 176.094 0.006 0.000 1.045 152 V CA -0.486 61.816 62.300 0.004 0.000 0.938 152 V CB 1.302 33.144 31.823 0.031 0.000 0.986 152 V HN 1.169 nan 8.190 nan 0.000 0.467 153 G N 3.773 112.580 108.800 0.010 0.000 2.495 153 G HA2 0.631 4.591 3.960 -0.001 0.000 0.318 153 G HA3 0.631 4.591 3.960 -0.001 0.000 0.318 153 G C -1.617 173.277 174.900 -0.009 0.000 1.257 153 G CA -0.584 44.513 45.100 -0.006 0.000 0.962 153 G HN 0.550 nan 8.290 nan 0.000 0.483 154 L N 1.605 122.809 121.223 -0.031 0.000 2.298 154 L HA 0.588 4.927 4.340 -0.001 0.000 0.284 154 L C -0.642 176.196 176.870 -0.053 0.000 1.013 154 L CA -1.257 53.564 54.840 -0.030 0.000 0.824 154 L CB 1.494 43.528 42.059 -0.042 0.000 1.221 154 L HN 0.487 nan 8.230 nan 0.000 0.418 155 N N 5.580 124.227 118.700 -0.090 0.000 2.546 155 N HA 0.502 5.241 4.740 -0.001 0.000 0.238 155 N C -1.456 174.038 175.510 -0.025 0.000 0.984 155 N CA -0.260 52.726 53.050 -0.108 0.000 0.935 155 N CB 0.413 38.712 38.487 -0.313 0.000 1.122 155 N HN 0.664 nan 8.380 nan 0.000 0.510 156 L N 1.882 123.114 121.223 0.015 0.000 2.304 156 L HA 0.450 4.790 4.340 -0.001 0.000 0.268 156 L C 1.708 178.617 176.870 0.064 0.000 1.010 156 L CA -0.967 53.898 54.840 0.043 0.000 0.813 156 L CB 1.072 43.154 42.059 0.038 0.000 1.315 156 L HN 0.522 nan 8.230 nan 0.000 0.445 157 N N 0.439 119.185 118.700 0.076 0.000 2.244 157 N HA -0.159 4.580 4.740 -0.001 0.000 0.183 157 N C 1.417 176.958 175.510 0.052 0.000 1.016 157 N CA 1.710 54.806 53.050 0.076 0.000 0.866 157 N CB 0.232 38.768 38.487 0.082 0.000 0.980 157 N HN 0.717 nan 8.380 nan 0.000 0.430 158 S N -0.548 115.180 115.700 0.046 0.000 2.607 158 S HA 0.128 4.597 4.470 -0.001 0.000 0.224 158 S C 1.010 175.631 174.600 0.034 0.000 0.969 158 S CA -0.171 58.050 58.200 0.035 0.000 0.927 158 S CB -0.177 63.043 63.200 0.032 0.000 0.772 158 S HN 0.190 nan 8.310 nan 0.000 0.533 159 M N 2.603 122.228 119.600 0.043 0.000 2.288 159 M HA 0.331 4.810 4.480 -0.001 0.000 0.334 159 M C 0.518 176.847 176.300 0.047 0.000 1.150 159 M CA -0.474 54.852 55.300 0.044 0.000 1.118 159 M CB 1.387 34.017 32.600 0.050 0.000 1.501 159 M HN 0.300 nan 8.290 nan 0.000 0.462 160 S N 1.042 116.768 115.700 0.043 0.000 2.601 160 S HA 0.292 4.762 4.470 -0.001 0.000 0.271 160 S C 0.894 175.524 174.600 0.051 0.000 1.305 160 S CA -0.860 57.364 58.200 0.040 0.000 1.022 160 S CB 1.122 64.340 63.200 0.031 0.000 0.940 160 S HN 0.622 nan 8.310 nan 0.000 0.525 161 K N 1.140 121.566 120.400 0.044 0.000 2.144 161 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 161 K C 1.147 177.778 176.600 0.052 0.000 1.047 161 K CA 1.838 58.153 56.287 0.046 0.000 0.927 161 K CB -0.635 31.884 32.500 0.031 0.000 0.716 161 K HN 0.684 nan 8.250 nan 0.000 0.454 162 D N 0.336 120.762 120.400 0.043 0.000 2.084 162 D HA -0.127 4.512 4.640 -0.001 0.000 0.199 162 D C 1.839 178.174 176.300 0.058 0.000 0.981 162 D CA 0.846 54.872 54.000 0.044 0.000 0.841 162 D CB -0.272 40.547 40.800 0.031 0.000 0.997 162 D HN 0.319 nan 8.370 nan 0.000 0.454 163 E N 0.679 120.911 120.200 0.053 0.000 2.219 163 E HA -0.227 4.122 4.350 -0.001 0.000 0.198 163 E C 1.671 178.318 176.600 0.080 0.000 0.998 163 E CA 1.035 57.468 56.400 0.055 0.000 0.818 163 E CB 0.180 29.905 29.700 0.043 0.000 0.741 163 E HN 0.141 nan 8.360 nan 0.000 0.477 164 K N -0.017 120.449 120.400 0.109 0.000 1.991 164 K HA -0.098 4.222 4.320 -0.001 0.000 0.207 164 K C 2.355 179.117 176.600 0.270 0.000 1.045 164 K CA 0.998 57.398 56.287 0.189 0.000 0.937 164 K CB -0.173 32.460 32.500 0.222 0.000 0.720 164 K HN -0.017 nan 8.250 nan 0.000 0.438 165 R N 1.166 121.783 120.500 0.195 0.000 2.133 165 R HA -0.242 4.097 4.340 -0.001 0.000 0.247 165 R C 2.053 178.455 176.300 0.170 0.000 1.151 165 R CA 1.842 58.043 56.100 0.168 0.000 0.971 165 R CB -0.053 30.298 30.300 0.085 0.000 0.866 165 R HN 0.083 nan 8.270 nan 0.000 0.447 166 E N 0.000 120.275 120.200 0.124 0.000 2.051 166 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 166 E C 1.641 178.296 176.600 0.091 0.000 0.991 166 E CA 1.748 58.203 56.400 0.092 0.000 0.799 166 E CB -0.215 29.522 29.700 0.063 0.000 0.748 166 E HN 0.442 nan 8.360 nan 0.000 0.449 167 A N -0.898 121.970 122.820 0.081 0.000 1.968 167 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 167 A C 1.797 179.391 177.584 0.016 0.000 1.169 167 A CA 0.971 53.018 52.037 0.017 0.000 0.638 167 A CB -0.761 18.209 19.000 -0.052 0.000 0.812 167 A HN 0.397 nan 8.150 nan 0.000 0.446 168 Y N -0.675 119.656 120.300 0.052 0.000 2.578 168 Y HA 0.145 4.694 4.550 -0.001 0.000 0.297 168 Y C 2.265 178.221 175.900 0.093 0.000 1.176 168 Y CA 0.502 58.649 58.100 0.080 0.000 1.315 168 Y CB 0.094 38.597 38.460 0.073 0.000 1.031 168 Y HN 0.379 nan 8.280 nan 0.000 0.524 169 A N -0.534 122.402 122.820 0.193 0.000 2.229 169 A HA 0.488 4.808 4.320 -0.001 0.000 0.211 169 A C 1.504 179.144 177.584 0.093 0.000 1.193 169 A CA 0.359 52.476 52.037 0.133 0.000 0.879 169 A CB -0.447 18.614 19.000 0.102 0.000 0.911 169 A HN 0.190 nan 8.150 nan 0.000 0.492 170 A N 0.450 123.317 122.820 0.078 0.000 2.433 170 A HA 0.256 4.576 4.320 -0.001 0.000 0.250 170 A C 0.775 178.389 177.584 0.049 0.000 1.113 170 A CA 0.505 52.571 52.037 0.049 0.000 0.794 170 A CB 0.125 19.142 19.000 0.030 0.000 1.067 170 A HN 0.332 nan 8.150 nan 0.000 0.510 171 D N -0.510 119.902 120.400 0.021 0.000 2.103 171 D HA 0.022 4.662 4.640 -0.001 0.000 0.199 171 D C 0.493 176.791 176.300 -0.003 0.000 0.978 171 D CA 1.431 55.435 54.000 0.008 0.000 0.829 171 D CB -0.118 40.670 40.800 -0.020 0.000 0.981 171 D HN 0.499 nan 8.370 nan 0.000 0.464 172 I N -0.014 120.520 120.570 -0.060 0.000 2.562 172 I HA 0.238 4.408 4.170 -0.001 0.000 0.301 172 I C -0.453 175.653 176.117 -0.018 0.000 1.003 172 I CA -0.305 60.932 61.300 -0.104 0.000 1.127 172 I CB 2.379 40.169 38.000 -0.350 0.000 1.304 172 I HN -0.331 nan 8.210 nan 0.000 0.446 173 T N 3.619 118.177 114.554 0.007 0.000 3.050 173 T HA 0.393 4.743 4.350 -0.001 0.000 0.310 173 T C -0.859 173.828 174.700 -0.023 0.000 0.978 173 T CA -0.547 61.553 62.100 0.000 0.000 1.013 173 T CB 0.256 69.071 68.868 -0.088 0.000 1.000 173 T HN 0.112 nan 8.240 nan 0.000 0.447 174 Y N 1.749 121.964 120.300 -0.142 0.000 2.304 174 Y HA 0.676 5.225 4.550 -0.001 0.000 0.327 174 Y C 1.129 176.941 175.900 -0.147 0.000 1.209 174 Y CA 0.032 58.059 58.100 -0.122 0.000 1.299 174 Y CB 1.421 39.824 38.460 -0.094 0.000 1.249 174 Y HN 0.714 nan 8.280 nan 0.000 0.519 175 S N -0.239 115.457 115.700 -0.005 0.000 2.714 175 S HA 0.662 5.131 4.470 -0.001 0.000 0.280 175 S C -1.089 173.504 174.600 -0.012 0.000 1.200 175 S CA -0.272 57.904 58.200 -0.040 0.000 0.900 175 S CB 0.680 63.796 63.200 -0.140 0.000 1.235 175 S HN 0.761 nan 8.310 nan 0.000 0.512 176 T N 0.075 114.630 114.554 0.002 0.000 2.916 176 T HA 0.489 4.838 4.350 -0.001 0.000 0.292 176 T C 0.801 175.497 174.700 -0.007 0.000 1.064 176 T CA -0.828 61.278 62.100 0.009 0.000 1.011 176 T CB 1.093 69.992 68.868 0.051 0.000 1.152 176 T HN 0.574 nan 8.240 nan 0.000 0.510 177 N N 1.732 120.390 118.700 -0.070 0.000 2.061 177 N HA -0.187 4.552 4.740 -0.001 0.000 0.193 177 N C 1.484 176.870 175.510 -0.207 0.000 1.030 177 N CA 1.459 54.362 53.050 -0.245 0.000 0.856 177 N CB -0.557 37.422 38.487 -0.845 0.000 1.023 177 N HN 0.615 nan 8.380 nan 0.000 0.424 178 N N 1.090 119.809 118.700 0.033 0.000 2.043 178 N HA -0.132 4.608 4.740 -0.001 0.000 0.193 178 N C 1.515 177.059 175.510 0.057 0.000 1.037 178 N CA 0.980 54.099 53.050 0.114 0.000 0.851 178 N CB -0.127 38.521 38.487 0.269 0.000 1.027 178 N HN 0.255 nan 8.380 nan 0.000 0.422 179 E N 1.578 121.866 120.200 0.147 0.000 2.038 179 E HA -0.097 4.253 4.350 -0.001 0.000 0.195 179 E C 2.373 179.032 176.600 0.099 0.000 1.000 179 E CA 0.576 57.088 56.400 0.187 0.000 0.803 179 E CB -0.570 29.214 29.700 0.140 0.000 0.750 179 E HN 0.360 nan 8.360 nan 0.000 0.448 180 L N -0.014 121.210 121.223 0.002 0.000 2.043 180 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 180 L C 2.472 179.089 176.870 -0.422 0.000 1.075 180 L CA 1.557 56.371 54.840 -0.042 0.000 0.752 180 L CB -0.928 41.147 42.059 0.027 0.000 0.891 180 L HN 0.213 nan 8.230 nan 0.000 0.432 181 G N -0.449 107.956 108.800 -0.659 0.000 2.453 181 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.215 181 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.215 181 G C 1.454 176.172 174.900 -0.303 0.000 1.201 181 G CA 0.557 45.144 45.100 -0.855 0.000 0.784 181 G HN 0.231 nan 8.290 nan 0.000 0.545 182 F N 1.285 121.208 119.950 -0.045 0.000 2.120 182 F HA -0.123 4.404 4.527 -0.001 0.000 0.300 182 F C 2.627 178.444 175.800 0.029 0.000 1.095 182 F CA 1.108 59.124 58.000 0.027 0.000 1.249 182 F CB -0.021 39.006 39.000 0.046 0.000 0.995 182 F HN 0.072 nan 8.300 nan 0.000 0.480 183 D N -0.729 119.792 120.400 0.201 0.000 2.123 183 D HA -0.237 4.402 4.640 -0.001 0.000 0.196 183 D C 1.848 178.188 176.300 0.067 0.000 0.992 183 D CA 1.252 55.322 54.000 0.116 0.000 0.833 183 D CB -0.699 40.172 40.800 0.118 0.000 0.954 183 D HN 0.325 nan 8.370 nan 0.000 0.455 184 Y N 1.436 121.712 120.300 -0.040 0.000 2.128 184 Y HA -0.185 4.364 4.550 -0.001 0.000 0.284 184 Y C 2.223 178.162 175.900 0.066 0.000 1.154 184 Y CA 1.371 59.479 58.100 0.014 0.000 1.149 184 Y CB -0.429 38.068 38.460 0.062 0.000 0.976 184 Y HN -0.083 nan 8.280 nan 0.000 0.505 185 L N -0.306 121.001 121.223 0.140 0.000 2.046 185 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 185 L C 2.675 179.538 176.870 -0.013 0.000 1.077 185 L CA 1.630 56.543 54.840 0.123 0.000 0.747 185 L CB -0.530 41.693 42.059 0.273 0.000 0.896 185 L HN 0.143 nan 8.230 nan 0.000 0.432 186 R N -0.077 120.434 120.500 0.018 0.000 2.066 186 R HA -0.150 4.190 4.340 -0.001 0.000 0.232 186 R C 1.834 178.076 176.300 -0.097 0.000 1.131 186 R CA 1.519 57.609 56.100 -0.017 0.000 0.955 186 R CB -0.332 29.981 30.300 0.021 0.000 0.851 186 R HN 0.258 nan 8.270 nan 0.000 0.432 187 D N 0.207 120.523 120.400 -0.139 0.000 2.357 187 D HA -0.120 4.519 4.640 -0.001 0.000 0.216 187 D C 0.717 176.867 176.300 -0.249 0.000 0.973 187 D CA 0.993 54.889 54.000 -0.174 0.000 0.912 187 D CB -0.157 40.522 40.800 -0.201 0.000 0.900 187 D HN 0.189 nan 8.370 nan 0.000 0.501 188 N N -0.594 117.886 118.700 -0.366 0.000 2.235 188 N HA 0.163 4.902 4.740 -0.001 0.000 0.209 188 N C 0.705 175.955 175.510 -0.434 0.000 1.122 188 N CA 0.073 52.783 53.050 -0.566 0.000 0.845 188 N CB 0.599 38.439 38.487 -1.080 0.000 1.004 188 N HN 0.262 nan 8.380 nan 0.000 0.499 189 M N -0.460 119.007 119.600 -0.221 0.000 2.289 189 M HA 0.182 4.661 4.480 -0.001 0.000 0.335 189 M C 0.306 176.550 176.300 -0.092 0.000 0.961 189 M CA -0.008 55.218 55.300 -0.124 0.000 1.018 189 M CB 1.468 34.041 32.600 -0.045 0.000 1.678 189 M HN -0.269 nan 8.290 nan 0.000 0.589 190 V N 1.663 121.519 119.914 -0.097 0.000 3.032 190 V HA -0.103 4.016 4.120 -0.001 0.000 0.307 190 V C 1.080 177.120 176.094 -0.091 0.000 1.097 190 V CA 0.624 62.890 62.300 -0.058 0.000 1.191 190 V CB 1.397 33.200 31.823 -0.033 0.000 0.964 190 V HN 0.406 nan 8.190 nan 0.000 0.494 191 L N 4.640 125.805 121.223 -0.097 0.000 2.470 191 L HA 0.359 4.698 4.340 -0.001 0.000 0.219 191 L C -0.153 176.451 176.870 -0.442 0.000 1.071 191 L CA 0.883 55.558 54.840 -0.274 0.000 0.850 191 L CB 0.140 42.001 42.059 -0.329 0.000 1.040 191 L HN 0.601 nan 8.230 nan 0.000 0.475 192 Y N -0.269 120.004 120.300 -0.044 0.000 2.350 192 Y HA 0.271 4.821 4.550 -0.001 0.000 0.338 192 Y C 1.164 177.042 175.900 -0.035 0.000 0.961 192 Y CA -0.740 57.334 58.100 -0.044 0.000 1.100 192 Y CB 1.547 39.989 38.460 -0.028 0.000 1.179 192 Y HN -0.074 nan 8.280 nan 0.000 0.454 193 K N 1.110 121.559 120.400 0.082 0.000 2.242 193 K HA -0.277 4.042 4.320 -0.001 0.000 0.206 193 K C 0.659 177.321 176.600 0.103 0.000 1.045 193 K CA 2.191 58.524 56.287 0.077 0.000 0.930 193 K CB 0.243 32.756 32.500 0.023 0.000 0.726 193 K HN 0.675 nan 8.250 nan 0.000 0.462 194 E N 0.409 120.674 120.200 0.107 0.000 2.427 194 E HA -0.066 4.284 4.350 -0.001 0.000 0.196 194 E C 1.429 178.064 176.600 0.057 0.000 1.028 194 E CA 0.676 57.116 56.400 0.067 0.000 0.864 194 E CB 0.191 29.911 29.700 0.033 0.000 0.813 194 E HN 0.441 nan 8.360 nan 0.000 0.514 195 Q N -0.487 119.363 119.800 0.084 0.000 2.378 195 Q HA 0.094 4.434 4.340 -0.001 0.000 0.205 195 Q C 0.451 176.466 176.000 0.025 0.000 0.954 195 Q CA 0.176 56.016 55.803 0.061 0.000 0.901 195 Q CB 0.041 28.835 28.738 0.094 0.000 0.981 195 Q HN 0.318 nan 8.270 nan 0.000 0.483 196 M N -0.054 119.556 119.600 0.018 0.000 2.219 196 M HA -0.078 4.402 4.480 -0.001 0.000 0.307 196 M C 1.231 177.501 176.300 -0.050 0.000 1.116 196 M CA 0.197 55.480 55.300 -0.027 0.000 1.181 196 M CB 0.675 33.264 32.600 -0.018 0.000 1.410 196 M HN 0.031 nan 8.290 nan 0.000 0.454 197 V N -2.233 117.603 119.914 -0.131 0.000 3.219 197 V HA 0.189 4.309 4.120 -0.001 0.000 0.240 197 V C 0.576 176.440 176.094 -0.383 0.000 1.222 197 V CA -0.091 62.102 62.300 -0.180 0.000 1.181 197 V CB -0.317 31.402 31.823 -0.174 0.000 0.941 197 V HN 0.795 nan 8.190 nan 0.000 0.471 198 Q N 1.273 120.761 119.800 -0.520 0.000 2.354 198 Q HA 0.472 4.812 4.340 -0.001 0.000 0.244 198 Q C -0.477 175.441 176.000 -0.137 0.000 0.969 198 Q CA -0.229 55.259 55.803 -0.525 0.000 0.885 198 Q CB 1.288 29.811 28.738 -0.357 0.000 1.241 198 Q HN 0.454 nan 8.270 nan 0.000 0.461 199 R N 1.223 121.734 120.500 0.018 0.000 2.674 199 R HA 0.423 4.763 4.340 -0.001 0.000 0.266 199 R C -2.299 174.017 176.300 0.027 0.000 1.016 199 R CA -2.031 54.098 56.100 0.050 0.000 1.062 199 R CB 0.383 30.753 30.300 0.117 0.000 1.142 199 R HN 0.442 nan 8.270 nan 0.000 0.517 200 P HA -0.085 nan 4.420 nan 0.000 0.266 200 P C -0.651 176.612 177.300 -0.061 0.000 1.180 200 P CA 0.436 63.502 63.100 -0.056 0.000 0.765 200 P CB 0.372 32.040 31.700 -0.054 0.000 0.806 201 L N 2.863 123.979 121.223 -0.178 0.000 2.448 201 L HA 0.078 4.417 4.340 -0.001 0.000 0.278 201 L C 1.763 178.500 176.870 -0.223 0.000 1.201 201 L CA -0.202 54.370 54.840 -0.447 0.000 1.036 201 L CB -0.634 40.811 42.059 -1.025 0.000 1.325 201 L HN 0.555 nan 8.230 nan 0.000 0.441 202 H N 3.897 122.880 119.070 -0.145 0.000 2.368 202 H HA -0.018 4.538 4.556 -0.001 0.000 0.303 202 H C -0.460 175.003 175.328 0.225 0.000 1.043 202 H CA 1.274 57.335 56.048 0.022 0.000 1.238 202 H CB 0.242 30.018 29.762 0.023 0.000 1.417 202 H HN 0.350 nan 8.280 nan 0.000 0.548 203 F N 0.221 119.969 119.950 -0.337 0.000 2.574 203 F HA 0.642 5.169 4.527 -0.001 0.000 0.313 203 F C -1.495 174.202 175.800 -0.170 0.000 1.130 203 F CA -0.617 57.173 58.000 -0.351 0.000 0.936 203 F CB 1.214 39.727 39.000 -0.812 0.000 1.219 203 F HN 0.419 nan 8.300 nan 0.000 0.445 204 A N 4.849 127.190 122.820 -0.800 0.000 2.350 204 A HA 0.797 5.117 4.320 -0.001 0.000 0.324 204 A C -1.819 175.114 177.584 -1.085 0.000 1.118 204 A CA -0.723 50.780 52.037 -0.890 0.000 0.783 204 A CB 1.597 19.967 19.000 -1.050 0.000 1.236 204 A HN 0.663 nan 8.150 nan 0.000 0.457 205 V N 4.024 123.431 119.914 -0.845 0.000 2.326 205 V HA 0.289 4.408 4.120 -0.001 0.000 0.281 205 V C -0.408 175.407 176.094 -0.465 0.000 1.015 205 V CA -0.075 61.844 62.300 -0.635 0.000 0.823 205 V CB 0.959 32.486 31.823 -0.493 0.000 1.009 205 V HN 0.736 nan 8.190 nan 0.000 0.436 206 I N 4.137 124.430 120.570 -0.462 0.000 2.312 206 I HA 0.293 4.463 4.170 -0.001 0.000 0.291 206 I C 0.198 176.122 176.117 -0.321 0.000 1.031 206 I CA -0.137 60.900 61.300 -0.439 0.000 1.293 206 I CB 1.149 38.781 38.000 -0.613 0.000 1.403 206 I HN 0.522 nan 8.210 nan 0.000 0.484 207 D N 5.724 125.973 120.400 -0.252 0.000 2.329 207 D HA 0.066 4.706 4.640 -0.001 0.000 0.246 207 D C 0.522 176.723 176.300 -0.165 0.000 1.111 207 D CA 0.251 54.143 54.000 -0.179 0.000 0.941 207 D CB 0.779 41.501 40.800 -0.131 0.000 1.169 207 D HN 0.435 nan 8.370 nan 0.000 0.441 208 E N 0.556 120.683 120.200 -0.121 0.000 2.494 208 E HA -0.201 4.148 4.350 -0.001 0.000 0.249 208 E C 1.324 177.858 176.600 -0.110 0.000 1.184 208 E CA 0.424 56.770 56.400 -0.090 0.000 0.727 208 E CB -1.875 27.785 29.700 -0.066 0.000 1.281 208 E HN 0.346 nan 8.360 nan 0.000 0.405 209 V N 1.444 121.256 119.914 -0.169 0.000 2.527 209 V HA -0.317 3.803 4.120 -0.001 0.000 0.255 209 V C 2.160 178.212 176.094 -0.071 0.000 1.081 209 V CA 2.856 65.024 62.300 -0.220 0.000 1.092 209 V CB -0.181 31.439 31.823 -0.339 0.000 0.673 209 V HN 0.471 nan 8.190 nan 0.000 0.470 210 D N -1.789 118.634 120.400 0.038 0.000 2.277 210 D HA -0.083 4.557 4.640 -0.001 0.000 0.208 210 D C 1.980 178.335 176.300 0.093 0.000 0.962 210 D CA 1.275 55.391 54.000 0.194 0.000 0.865 210 D CB -0.031 40.889 40.800 0.200 0.000 0.939 210 D HN 0.498 nan 8.370 nan 0.000 0.510 211 S N 0.284 116.008 115.700 0.040 0.000 2.377 211 S HA 0.025 4.494 4.470 -0.001 0.000 0.223 211 S C 2.005 176.647 174.600 0.070 0.000 1.030 211 S CA 0.190 58.419 58.200 0.048 0.000 0.970 211 S CB 0.081 63.298 63.200 0.028 0.000 0.830 211 S HN 0.215 nan 8.310 nan 0.000 0.473 212 I N 1.447 122.023 120.570 0.009 0.000 2.353 212 I HA 0.004 4.173 4.170 -0.001 0.000 0.248 212 I C 1.794 177.950 176.117 0.066 0.000 1.119 212 I CA 1.350 62.655 61.300 0.008 0.000 1.417 212 I CB -1.175 36.694 38.000 -0.218 0.000 1.078 212 I HN 0.266 nan 8.210 nan 0.000 0.421 213 L N -0.749 120.461 121.223 -0.021 0.000 2.590 213 L HA 0.102 4.442 4.340 -0.001 0.000 0.227 213 L C 2.011 178.952 176.870 0.119 0.000 1.099 213 L CA 0.092 54.922 54.840 -0.015 0.000 0.872 213 L CB 0.318 42.144 42.059 -0.388 0.000 1.088 213 L HN 0.075 nan 8.230 nan 0.000 0.479 214 I N -0.811 119.814 120.570 0.092 0.000 3.393 214 I HA 0.018 4.187 4.170 -0.001 0.000 0.250 214 I C 1.798 177.970 176.117 0.092 0.000 1.122 214 I CA 0.760 62.092 61.300 0.052 0.000 1.484 214 I CB -0.828 37.142 38.000 -0.049 0.000 1.468 214 I HN 0.066 nan 8.210 nan 0.000 0.461 215 D N 1.350 121.808 120.400 0.097 0.000 2.097 215 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 215 D C 1.188 177.561 176.300 0.122 0.000 0.984 215 D CA 1.315 55.379 54.000 0.106 0.000 0.826 215 D CB 0.048 40.908 40.800 0.100 0.000 0.973 215 D HN 0.376 nan 8.370 nan 0.000 0.460 216 E N 0.018 120.319 120.200 0.168 0.000 2.496 216 E HA 0.306 4.655 4.350 -0.001 0.000 0.200 216 E C 1.343 178.087 176.600 0.240 0.000 1.016 216 E CA -0.254 56.261 56.400 0.191 0.000 0.962 216 E CB 0.732 30.608 29.700 0.294 0.000 1.071 216 E HN 0.106 nan 8.360 nan 0.000 0.457 217 A N 1.369 124.323 122.820 0.224 0.000 1.865 217 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 217 A C 1.903 179.596 177.584 0.181 0.000 1.191 217 A CA 1.259 53.458 52.037 0.271 0.000 0.623 217 A CB -0.183 18.967 19.000 0.249 0.000 0.826 217 A HN 0.160 nan 8.150 nan 0.000 0.444 218 R N -0.036 120.518 120.500 0.089 0.000 2.325 218 R HA 0.068 4.408 4.340 -0.001 0.000 0.214 218 R C -0.270 175.997 176.300 -0.055 0.000 0.961 218 R CA 0.115 56.234 56.100 0.031 0.000 1.086 218 R CB -0.473 29.841 30.300 0.024 0.000 1.037 218 R HN 0.325 nan 8.270 nan 0.000 0.493 219 T N 4.598 119.063 114.554 -0.149 0.000 2.831 219 T HA 0.037 4.386 4.350 -0.001 0.000 0.291 219 T C -2.104 172.394 174.700 -0.337 0.000 0.981 219 T CA -0.514 61.402 62.100 -0.308 0.000 1.174 219 T CB 0.713 69.203 68.868 -0.629 0.000 0.929 219 T HN 0.127 nan 8.240 nan 0.000 0.532 220 P HA 0.304 nan 4.420 nan 0.000 0.287 220 P C -0.799 176.414 177.300 -0.144 0.000 1.281 220 P CA -0.424 62.600 63.100 -0.127 0.000 0.781 220 P CB 0.778 32.448 31.700 -0.050 0.000 0.903 221 L N 5.398 126.540 121.223 -0.136 0.000 2.265 221 L HA 0.502 4.842 4.340 -0.001 0.000 0.289 221 L C 0.397 177.337 176.870 0.117 0.000 1.033 221 L CA -0.618 54.124 54.840 -0.162 0.000 0.814 221 L CB 0.799 42.613 42.059 -0.409 0.000 1.203 221 L HN 0.276 nan 8.230 nan 0.000 0.423 222 I N 4.355 125.124 120.570 0.330 0.000 2.569 222 I HA 0.413 4.582 4.170 -0.001 0.000 0.296 222 I C -0.559 175.739 176.117 0.301 0.000 1.028 222 I CA -0.686 60.779 61.300 0.274 0.000 1.082 222 I CB 2.935 41.027 38.000 0.153 0.000 1.264 222 I HN 0.366 nan 8.210 nan 0.000 0.429 223 I N 4.329 125.024 120.570 0.209 0.000 2.464 223 I HA 0.276 4.445 4.170 -0.001 0.000 0.277 223 I C 0.244 176.414 176.117 0.089 0.000 1.040 223 I CA 0.012 61.390 61.300 0.131 0.000 1.153 223 I CB 0.971 39.063 38.000 0.153 0.000 1.274 223 I HN 0.492 nan 8.210 nan 0.000 0.469 224 S N 3.501 119.233 115.700 0.053 0.000 2.655 224 S HA 0.578 5.048 4.470 -0.001 0.000 0.265 224 S C 0.604 175.224 174.600 0.034 0.000 1.240 224 S CA -0.447 57.777 58.200 0.041 0.000 0.986 224 S CB 1.418 64.635 63.200 0.028 0.000 0.985 224 S HN 0.750 nan 8.310 nan 0.000 0.562 225 G N 1.078 109.897 108.800 0.033 0.000 2.320 225 G HA2 0.316 4.275 3.960 -0.001 0.000 0.300 225 G HA3 0.316 4.275 3.960 -0.001 0.000 0.300 225 G C 1.006 175.919 174.900 0.023 0.000 1.126 225 G CA -0.537 44.582 45.100 0.032 0.000 0.896 225 G HN 0.665 nan 8.290 nan 0.000 0.436 226 Q N 2.138 121.949 119.800 0.018 0.000 2.173 226 Q HA -0.137 4.203 4.340 -0.001 0.000 0.208 226 Q C 1.144 177.154 176.000 0.015 0.000 0.989 226 Q CA 1.527 57.338 55.803 0.012 0.000 0.872 226 Q CB -0.711 28.033 28.738 0.010 0.000 0.909 226 Q HN 0.560 nan 8.270 nan 0.000 0.420 227 A N 1.018 123.851 122.820 0.022 0.000 2.249 227 A HA 0.691 5.010 4.320 -0.001 0.000 0.281 227 A C 0.083 177.685 177.584 0.029 0.000 1.127 227 A CA 0.004 52.056 52.037 0.025 0.000 0.833 227 A CB 0.406 19.424 19.000 0.029 0.000 1.140 227 A HN 0.563 nan 8.150 nan 0.000 0.502 228 A N -0.351 122.490 122.820 0.034 0.000 2.284 228 A HA 0.677 4.997 4.320 -0.001 0.000 0.317 228 A C 0.254 177.872 177.584 0.057 0.000 1.120 228 A CA -0.533 51.529 52.037 0.042 0.000 0.900 228 A CB 0.570 19.593 19.000 0.039 0.000 1.319 228 A HN 0.880 nan 8.150 nan 0.000 0.494 229 K N -0.319 120.127 120.400 0.077 0.000 2.148 229 K HA 0.497 4.817 4.320 -0.001 0.000 0.239 229 K C 0.221 176.892 176.600 0.118 0.000 1.018 229 K CA -0.280 56.067 56.287 0.100 0.000 0.923 229 K CB 1.114 33.693 32.500 0.132 0.000 1.117 229 K HN 0.663 nan 8.250 nan 0.000 0.477 230 S N -0.867 114.910 115.700 0.129 0.000 2.652 230 S HA 0.142 4.611 4.470 -0.001 0.000 0.270 230 S C 0.691 175.431 174.600 0.232 0.000 1.243 230 S CA -0.117 58.165 58.200 0.136 0.000 0.999 230 S CB 0.953 64.210 63.200 0.096 0.000 0.973 230 S HN 0.734 nan 8.310 nan 0.000 0.544 231 T N -0.088 114.605 114.554 0.231 0.000 3.003 231 T HA 0.180 4.529 4.350 -0.001 0.000 0.261 231 T C 1.368 176.267 174.700 0.332 0.000 1.003 231 T CA -0.001 62.324 62.100 0.374 0.000 0.917 231 T CB -0.203 68.793 68.868 0.213 0.000 1.084 231 T HN 0.754 nan 8.240 nan 0.000 0.522 232 K N 1.055 121.570 120.400 0.191 0.000 2.089 232 K HA -0.125 4.194 4.320 -0.001 0.000 0.210 232 K C 1.971 178.660 176.600 0.149 0.000 1.048 232 K CA 1.341 57.714 56.287 0.144 0.000 0.926 232 K CB -0.753 31.801 32.500 0.090 0.000 0.714 232 K HN 0.205 nan 8.250 nan 0.000 0.448 233 L N 1.015 122.293 121.223 0.091 0.000 2.046 233 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 233 L C 2.172 179.153 176.870 0.184 0.000 1.077 233 L CA 1.563 56.410 54.840 0.011 0.000 0.747 233 L CB -0.615 41.244 42.059 -0.334 0.000 0.896 233 L HN 0.170 nan 8.230 nan 0.000 0.432 234 Y N -1.668 118.807 120.300 0.291 0.000 2.165 234 Y HA -0.280 4.269 4.550 -0.001 0.000 0.286 234 Y C 2.451 178.449 175.900 0.164 0.000 1.155 234 Y CA 1.630 59.869 58.100 0.230 0.000 1.164 234 Y CB -0.862 37.673 38.460 0.124 0.000 0.978 234 Y HN -0.006 nan 8.280 nan 0.000 0.513 235 V N 0.072 120.176 119.914 0.316 0.000 2.237 235 V HA -0.345 3.775 4.120 -0.001 0.000 0.245 235 V C 2.163 178.376 176.094 0.198 0.000 1.046 235 V CA 2.138 64.564 62.300 0.209 0.000 1.007 235 V CB -0.893 31.025 31.823 0.158 0.000 0.638 235 V HN 0.420 nan 8.190 nan 0.000 0.445 236 Q N -0.050 119.870 119.800 0.201 0.000 2.077 236 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 236 Q C 2.417 178.616 176.000 0.332 0.000 0.989 236 Q CA 2.013 57.948 55.803 0.220 0.000 0.853 236 Q CB -0.533 28.352 28.738 0.244 0.000 0.907 236 Q HN 0.676 nan 8.270 nan 0.000 0.418 237 A N 1.168 124.192 122.820 0.340 0.000 1.940 237 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 237 A C 1.818 179.599 177.584 0.328 0.000 1.176 237 A CA 1.975 54.226 52.037 0.357 0.000 0.631 237 A CB -0.750 18.393 19.000 0.238 0.000 0.814 237 A HN 0.420 nan 8.150 nan 0.000 0.446 238 N N -0.154 118.692 118.700 0.243 0.000 2.171 238 N HA 0.003 4.743 4.740 -0.001 0.000 0.184 238 N C 1.766 177.339 175.510 0.105 0.000 1.021 238 N CA 1.781 54.932 53.050 0.168 0.000 0.854 238 N CB -0.386 38.219 38.487 0.198 0.000 0.994 238 N HN 0.321 nan 8.380 nan 0.000 0.426 239 A N 0.072 122.972 122.820 0.133 0.000 1.883 239 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 239 A C 2.175 179.788 177.584 0.049 0.000 1.186 239 A CA 1.516 53.598 52.037 0.075 0.000 0.624 239 A CB -1.359 17.685 19.000 0.073 0.000 0.822 239 A HN 0.515 nan 8.150 nan 0.000 0.444 240 F N 1.090 121.040 119.950 0.001 0.000 2.095 240 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 240 F C 2.056 177.850 175.800 -0.010 0.000 1.104 240 F CA 2.093 60.088 58.000 -0.008 0.000 1.232 240 F CB -0.402 38.674 39.000 0.128 0.000 0.987 240 F HN 0.012 nan 8.300 nan 0.000 0.475 241 V N 0.960 120.777 119.914 -0.161 0.000 2.867 241 V HA -0.237 3.882 4.120 -0.001 0.000 0.260 241 V C 2.251 178.117 176.094 -0.381 0.000 1.099 241 V CA 1.818 63.923 62.300 -0.325 0.000 1.122 241 V CB -0.907 30.763 31.823 -0.255 0.000 0.708 241 V HN 0.320 nan 8.190 nan 0.000 0.490 242 R N -0.450 119.866 120.500 -0.307 0.000 2.276 242 R HA -0.034 4.305 4.340 -0.001 0.000 0.203 242 R C 2.246 178.435 176.300 -0.186 0.000 1.017 242 R CA 1.221 57.195 56.100 -0.211 0.000 1.010 242 R CB -0.303 29.931 30.300 -0.109 0.000 0.900 242 R HN 0.494 nan 8.270 nan 0.000 0.469 243 T N 1.485 115.868 114.554 -0.285 0.000 2.809 243 T HA 0.053 4.402 4.350 -0.001 0.000 0.260 243 T C 1.016 175.577 174.700 -0.232 0.000 1.039 243 T CA 0.484 62.422 62.100 -0.269 0.000 1.141 243 T CB -0.030 68.606 68.868 -0.386 0.000 0.869 243 T HN 0.036 nan 8.240 nan 0.000 0.437 244 L N 1.383 122.433 121.223 -0.288 0.000 2.489 244 L HA 0.126 4.465 4.340 -0.001 0.000 0.285 244 L C 0.781 177.609 176.870 -0.071 0.000 1.259 244 L CA 0.054 54.812 54.840 -0.137 0.000 0.828 244 L CB 0.062 42.121 42.059 0.001 0.000 1.094 244 L HN 0.062 nan 8.230 nan 0.000 0.524 245 K N 0.226 120.532 120.400 -0.158 0.000 2.280 245 K HA 0.452 4.771 4.320 -0.001 0.000 0.234 245 K C 0.728 176.992 176.600 -0.560 0.000 1.028 245 K CA -0.249 55.903 56.287 -0.226 0.000 0.882 245 K CB 1.497 33.889 32.500 -0.179 0.000 1.194 245 K HN 0.586 nan 8.250 nan 0.000 0.458 246 A N 0.461 123.042 122.820 -0.398 0.000 1.908 246 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 246 A C 1.663 178.917 177.584 -0.552 0.000 1.181 246 A CA 2.269 54.034 52.037 -0.454 0.000 0.627 246 A CB -0.112 18.797 19.000 -0.152 0.000 0.818 246 A HN 0.718 nan 8.150 nan 0.000 0.445 247 E N -1.639 118.341 120.200 -0.367 0.000 2.414 247 E HA 0.205 4.554 4.350 -0.001 0.000 0.208 247 E C 0.331 176.824 176.600 -0.178 0.000 0.820 247 E CA 0.349 56.611 56.400 -0.230 0.000 1.143 247 E CB 0.475 30.113 29.700 -0.104 0.000 1.150 247 E HN 0.337 nan 8.360 nan 0.000 0.540 248 K N 1.134 121.433 120.400 -0.168 0.000 2.457 248 K HA 0.218 4.537 4.320 -0.001 0.000 0.226 248 K C -0.857 175.677 176.600 -0.109 0.000 1.114 248 K CA 0.104 56.332 56.287 -0.098 0.000 1.089 248 K CB 0.566 33.029 32.500 -0.061 0.000 1.739 248 K HN 0.033 nan 8.250 nan 0.000 0.473 249 D N -0.207 120.122 120.400 -0.118 0.000 1.729 249 D HA -0.033 4.607 4.640 -0.001 0.000 0.797 249 D C -0.949 175.410 176.300 0.098 0.000 0.500 249 D CA 0.375 54.349 54.000 -0.044 0.000 1.326 249 D CB 0.533 41.261 40.800 -0.119 0.000 1.139 249 D HN 0.354 nan 8.370 nan 0.000 0.378 250 Y N -0.795 119.525 120.300 0.033 0.000 2.620 250 Y HA 0.564 5.113 4.550 -0.001 0.000 0.331 250 Y C -0.890 175.052 175.900 0.070 0.000 1.173 250 Y CA -1.022 57.110 58.100 0.053 0.000 1.076 250 Y CB 0.817 39.310 38.460 0.055 0.000 1.336 250 Y HN -0.241 nan 8.280 nan 0.000 0.459 251 T N 1.131 115.902 114.554 0.361 0.000 2.948 251 T HA 0.663 5.013 4.350 -0.001 0.000 0.285 251 T C -2.185 172.744 174.700 0.381 0.000 1.019 251 T CA -0.485 61.784 62.100 0.283 0.000 1.013 251 T CB 1.061 70.027 68.868 0.163 0.000 1.117 251 T HN 0.842 nan 8.240 nan 0.000 0.533 252 Y N 1.737 122.132 120.300 0.159 0.000 2.298 252 Y HA 0.384 4.933 4.550 -0.001 0.000 0.322 252 Y C -0.914 175.033 175.900 0.079 0.000 1.138 252 Y CA -1.011 57.159 58.100 0.115 0.000 1.127 252 Y CB 1.241 39.782 38.460 0.135 0.000 1.178 252 Y HN 0.742 nan 8.280 nan 0.000 0.428 253 D N 4.483 124.640 120.400 -0.405 0.000 2.382 253 D HA 0.211 4.851 4.640 -0.001 0.000 0.245 253 D C 0.945 176.991 176.300 -0.424 0.000 1.120 253 D CA 0.330 54.151 54.000 -0.299 0.000 0.890 253 D CB 1.013 41.688 40.800 -0.209 0.000 1.201 253 D HN 0.616 nan 8.370 nan 0.000 0.433 254 I N 2.332 122.822 120.570 -0.135 0.000 2.130 254 I HA -0.119 4.050 4.170 -0.001 0.000 0.232 254 I C 2.170 178.256 176.117 -0.052 0.000 1.064 254 I CA 0.479 61.760 61.300 -0.031 0.000 1.338 254 I CB -0.507 37.513 38.000 0.033 0.000 1.084 254 I HN 0.412 nan 8.210 nan 0.000 0.404 255 K N 1.597 121.974 120.400 -0.039 0.000 1.975 255 K HA -0.154 4.165 4.320 -0.001 0.000 0.225 255 K C 0.890 177.461 176.600 -0.049 0.000 1.050 255 K CA 2.147 58.419 56.287 -0.026 0.000 0.992 255 K CB -1.149 31.339 32.500 -0.020 0.000 0.738 255 K HN 0.514 nan 8.250 nan 0.000 0.446 256 T N -0.397 114.111 114.554 -0.076 0.000 2.898 256 T HA 0.198 4.547 4.350 -0.001 0.000 0.301 256 T C 0.507 175.108 174.700 -0.164 0.000 1.049 256 T CA -0.695 61.353 62.100 -0.085 0.000 1.095 256 T CB 0.900 69.725 68.868 -0.071 0.000 0.976 256 T HN 0.098 nan 8.240 nan 0.000 0.539 257 K N 0.924 121.253 120.400 -0.118 0.000 2.546 257 K HA 0.261 4.581 4.320 -0.001 0.000 0.198 257 K C 0.897 177.389 176.600 -0.180 0.000 1.028 257 K CA -0.112 56.088 56.287 -0.145 0.000 1.150 257 K CB -0.868 31.630 32.500 -0.003 0.000 0.876 257 K HN 0.809 nan 8.250 nan 0.000 0.508 258 A N 0.959 123.666 122.820 -0.188 0.000 2.520 258 A HA 0.228 4.547 4.320 -0.001 0.000 0.245 258 A C 0.053 177.556 177.584 -0.135 0.000 1.072 258 A CA -0.021 51.950 52.037 -0.109 0.000 0.761 258 A CB 0.297 19.261 19.000 -0.061 0.000 1.004 258 A HN 0.020 nan 8.150 nan 0.000 0.499 259 V N 3.961 123.869 119.914 -0.009 0.000 2.638 259 V HA 0.449 4.569 4.120 -0.001 0.000 0.306 259 V C -0.151 175.983 176.094 0.068 0.000 1.052 259 V CA -0.505 61.834 62.300 0.065 0.000 0.885 259 V CB 1.493 33.379 31.823 0.104 0.000 0.999 259 V HN 1.027 nan 8.190 nan 0.000 0.424 260 Q N 2.532 122.394 119.800 0.103 0.000 2.423 260 Q HA 0.616 4.955 4.340 -0.001 0.000 0.278 260 Q C -1.549 174.538 176.000 0.145 0.000 1.097 260 Q CA -1.058 54.807 55.803 0.104 0.000 0.809 260 Q CB 3.221 32.015 28.738 0.093 0.000 1.391 260 Q HN 0.531 nan 8.270 nan 0.000 0.428 261 L N 1.426 122.719 121.223 0.117 0.000 2.375 261 L HA 0.412 4.751 4.340 -0.001 0.000 0.271 261 L C 0.044 176.979 176.870 0.107 0.000 1.107 261 L CA 0.377 55.295 54.840 0.131 0.000 0.806 261 L CB 1.533 43.636 42.059 0.073 0.000 1.146 261 L HN 0.807 nan 8.230 nan 0.000 0.447 262 T N -0.709 113.911 114.554 0.110 0.000 2.936 262 T HA 0.297 4.646 4.350 -0.001 0.000 0.282 262 T C 0.883 175.617 174.700 0.056 0.000 1.003 262 T CA -0.636 61.512 62.100 0.079 0.000 1.005 262 T CB 1.016 69.923 68.868 0.065 0.000 1.097 262 T HN 0.576 nan 8.240 nan 0.000 0.532 263 E N 0.572 120.803 120.200 0.051 0.000 2.114 263 E HA -0.207 4.142 4.350 -0.001 0.000 0.199 263 E C 1.765 178.385 176.600 0.034 0.000 1.008 263 E CA 1.784 58.207 56.400 0.039 0.000 0.810 263 E CB -0.132 29.596 29.700 0.047 0.000 0.739 263 E HN 0.729 nan 8.360 nan 0.000 0.456 264 E N -0.622 119.600 120.200 0.037 0.000 2.007 264 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 264 E C 2.103 178.741 176.600 0.064 0.000 0.999 264 E CA 1.299 57.721 56.400 0.036 0.000 0.811 264 E CB -0.988 28.722 29.700 0.017 0.000 0.762 264 E HN 0.362 nan 8.360 nan 0.000 0.450 265 G N 0.455 109.307 108.800 0.086 0.000 2.442 265 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.219 265 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.219 265 G C 1.668 176.679 174.900 0.185 0.000 1.141 265 G CA 1.245 46.446 45.100 0.168 0.000 0.763 265 G HN 0.157 nan 8.290 nan 0.000 0.554 266 M N 0.478 120.123 119.600 0.076 0.000 2.080 266 M HA -0.066 4.414 4.480 -0.001 0.000 0.260 266 M C 2.645 178.940 176.300 -0.009 0.000 1.068 266 M CA 2.071 57.358 55.300 -0.021 0.000 1.109 266 M CB -0.322 32.226 32.600 -0.086 0.000 1.342 266 M HN 0.172 nan 8.290 nan 0.000 0.405 267 T N -0.449 114.119 114.554 0.023 0.000 2.857 267 T HA -0.139 4.211 4.350 -0.001 0.000 0.266 267 T C 1.693 176.428 174.700 0.058 0.000 1.048 267 T CA 1.534 63.649 62.100 0.024 0.000 1.139 267 T CB -0.191 68.693 68.868 0.026 0.000 0.874 267 T HN 0.385 nan 8.240 nan 0.000 0.455 268 K N 1.009 121.477 120.400 0.112 0.000 2.148 268 K HA 0.069 4.389 4.320 -0.001 0.000 0.204 268 K C 2.273 179.037 176.600 0.274 0.000 1.050 268 K CA 1.011 57.404 56.287 0.176 0.000 0.942 268 K CB -0.212 32.403 32.500 0.191 0.000 0.724 268 K HN 0.262 nan 8.250 nan 0.000 0.446 269 A N 1.233 124.188 122.820 0.226 0.000 1.840 269 A HA -0.133 4.186 4.320 -0.001 0.000 0.214 269 A C 1.835 179.424 177.584 0.010 0.000 1.198 269 A CA 1.523 53.529 52.037 -0.053 0.000 0.608 269 A CB -0.566 18.294 19.000 -0.233 0.000 0.839 269 A HN 0.436 nan 8.150 nan 0.000 0.443 270 E N -0.425 119.753 120.200 -0.037 0.000 2.130 270 E HA -0.269 4.080 4.350 -0.001 0.000 0.196 270 E C 2.027 178.622 176.600 -0.009 0.000 0.998 270 E CA 1.635 58.002 56.400 -0.055 0.000 0.806 270 E CB -0.094 29.571 29.700 -0.058 0.000 0.738 270 E HN 0.527 nan 8.360 nan 0.000 0.459 271 K N 1.088 121.498 120.400 0.017 0.000 2.031 271 K HA -0.020 4.300 4.320 -0.001 0.000 0.205 271 K C 1.908 178.505 176.600 -0.004 0.000 1.049 271 K CA 1.398 57.693 56.287 0.014 0.000 0.939 271 K CB -0.415 32.103 32.500 0.031 0.000 0.717 271 K HN 0.068 nan 8.250 nan 0.000 0.438 272 A N -0.427 122.395 122.820 0.003 0.000 1.933 272 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 272 A C 1.629 179.007 177.584 -0.343 0.000 1.175 272 A CA 1.411 53.370 52.037 -0.130 0.000 0.628 272 A CB -0.649 18.321 19.000 -0.051 0.000 0.814 272 A HN 0.371 nan 8.150 nan 0.000 0.444 273 F N -0.540 119.309 119.950 -0.167 0.000 2.664 273 F HA 0.384 4.911 4.527 -0.001 0.000 0.303 273 F C 1.557 177.268 175.800 -0.149 0.000 1.092 273 F CA 0.189 58.080 58.000 -0.181 0.000 1.305 273 F CB -0.041 38.788 39.000 -0.286 0.000 1.054 273 F HN 0.282 nan 8.300 nan 0.000 0.565 274 G N 2.698 111.505 108.800 0.011 0.000 2.367 274 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.295 274 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.295 274 G C -0.196 174.694 174.900 -0.017 0.000 1.019 274 G CA 0.555 45.652 45.100 -0.005 0.000 1.224 274 G HN 0.588 nan 8.290 nan 0.000 0.510 275 I N -3.752 116.788 120.570 -0.050 0.000 2.802 275 I HA 0.570 4.739 4.170 -0.001 0.000 0.298 275 I C 0.352 176.448 176.117 -0.036 0.000 1.176 275 I CA -1.403 59.850 61.300 -0.078 0.000 1.025 275 I CB 1.674 39.462 38.000 -0.355 0.000 1.243 275 I HN -0.076 nan 8.210 nan 0.000 0.424 276 D N 2.662 123.079 120.400 0.028 0.000 2.103 276 D HA -0.064 4.575 4.640 -0.001 0.000 0.199 276 D C 0.148 176.466 176.300 0.031 0.000 0.978 276 D CA 1.669 55.689 54.000 0.033 0.000 0.829 276 D CB 0.123 40.955 40.800 0.053 0.000 0.981 276 D HN 0.708 nan 8.370 nan 0.000 0.464 277 N N 0.088 118.831 118.700 0.071 0.000 2.399 277 N HA 0.197 4.936 4.740 -0.001 0.000 0.284 277 N C 0.388 175.950 175.510 0.086 0.000 1.025 277 N CA -0.378 52.715 53.050 0.071 0.000 0.885 277 N CB 2.037 40.590 38.487 0.110 0.000 1.339 277 N HN -0.137 nan 8.380 nan 0.000 0.487 278 L N 2.914 124.092 121.223 -0.074 0.000 2.179 278 L HA 0.065 4.404 4.340 -0.001 0.000 0.208 278 L C 0.902 177.742 176.870 -0.050 0.000 1.096 278 L CA 0.896 55.638 54.840 -0.164 0.000 0.779 278 L CB -0.049 41.792 42.059 -0.362 0.000 0.922 278 L HN 0.649 nan 8.230 nan 0.000 0.443 279 F N 0.173 120.128 119.950 0.009 0.000 2.802 279 F HA -0.025 4.502 4.527 -0.001 0.000 0.300 279 F C 0.907 176.701 175.800 -0.009 0.000 1.168 279 F CA -0.443 57.550 58.000 -0.011 0.000 1.433 279 F CB -0.831 38.154 39.000 -0.024 0.000 1.115 279 F HN 0.070 nan 8.300 nan 0.000 0.582 280 D N -0.095 120.416 120.400 0.185 0.000 2.493 280 D HA 0.016 4.655 4.640 -0.001 0.000 0.240 280 D C 1.550 177.809 176.300 -0.069 0.000 1.142 280 D CA 0.131 54.161 54.000 0.049 0.000 0.872 280 D CB 1.114 41.931 40.800 0.028 0.000 1.173 280 D HN 0.042 nan 8.370 nan 0.000 0.467 281 V N 2.557 122.409 119.914 -0.103 0.000 2.688 281 V HA -0.265 3.854 4.120 -0.001 0.000 0.256 281 V C 1.826 177.714 176.094 -0.342 0.000 1.084 281 V CA 1.841 64.050 62.300 -0.152 0.000 1.103 281 V CB -0.887 30.871 31.823 -0.109 0.000 0.688 281 V HN 0.708 nan 8.190 nan 0.000 0.480 282 K N 0.180 120.245 120.400 -0.557 0.000 2.432 282 K HA -0.092 4.227 4.320 -0.001 0.000 0.196 282 K C 1.080 177.295 176.600 -0.643 0.000 1.038 282 K CA 1.592 57.338 56.287 -0.903 0.000 0.986 282 K CB -0.462 31.521 32.500 -0.862 0.000 0.782 282 K HN 0.697 nan 8.250 nan 0.000 0.485 283 H N 0.122 119.069 119.070 -0.204 0.000 2.486 283 H HA 0.184 4.740 4.556 -0.001 0.000 0.284 283 H C 1.175 176.414 175.328 -0.148 0.000 1.103 283 H CA -0.599 55.340 56.048 -0.181 0.000 1.089 283 H CB 0.880 30.535 29.762 -0.179 0.000 1.603 283 H HN -0.103 nan 8.280 nan 0.000 0.557 284 V N 0.778 120.663 119.914 -0.049 0.000 2.332 284 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 284 V C 2.558 178.656 176.094 0.007 0.000 1.055 284 V CA 2.115 64.409 62.300 -0.011 0.000 1.038 284 V CB -0.653 31.149 31.823 -0.034 0.000 0.651 284 V HN 0.668 nan 8.190 nan 0.000 0.450 285 A N -0.293 122.504 122.820 -0.039 0.000 1.858 285 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 285 A C 2.170 179.693 177.584 -0.101 0.000 1.190 285 A CA 2.123 54.142 52.037 -0.030 0.000 0.617 285 A CB -0.648 18.279 19.000 -0.121 0.000 0.827 285 A HN 0.437 nan 8.150 nan 0.000 0.443 286 L N 0.961 122.049 121.223 -0.226 0.000 2.012 286 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 286 L C 2.170 178.880 176.870 -0.267 0.000 1.073 286 L CA 2.490 57.107 54.840 -0.372 0.000 0.748 286 L CB -0.794 40.989 42.059 -0.460 0.000 0.891 286 L HN 0.609 nan 8.230 nan 0.000 0.431 287 N N -1.699 116.911 118.700 -0.150 0.000 2.223 287 N HA -0.291 4.448 4.740 -0.001 0.000 0.185 287 N C 2.021 177.540 175.510 0.014 0.000 1.016 287 N CA 1.269 54.258 53.050 -0.101 0.000 0.863 287 N CB -0.063 38.403 38.487 -0.036 0.000 0.983 287 N HN 0.568 nan 8.380 nan 0.000 0.429 288 H N -0.002 119.070 119.070 0.002 0.000 2.357 288 H HA -0.062 4.494 4.556 -0.001 0.000 0.301 288 H C 1.575 176.940 175.328 0.062 0.000 1.082 288 H CA 2.042 58.118 56.048 0.047 0.000 1.342 288 H CB -0.334 29.471 29.762 0.072 0.000 1.389 288 H HN 0.315 nan 8.280 nan 0.000 0.511 289 H N -0.549 118.426 119.070 -0.158 0.000 2.421 289 H HA -0.046 4.510 4.556 -0.001 0.000 0.298 289 H C 2.313 177.561 175.328 -0.133 0.000 1.087 289 H CA 1.593 57.527 56.048 -0.190 0.000 1.330 289 H CB -0.176 29.463 29.762 -0.205 0.000 1.388 289 H HN 0.406 nan 8.280 nan 0.000 0.526 290 I N 0.061 120.625 120.570 -0.009 0.000 2.500 290 I HA -0.194 3.975 4.170 -0.001 0.000 0.252 290 I C 1.584 177.696 176.117 -0.008 0.000 1.142 290 I CA 0.684 61.993 61.300 0.016 0.000 1.451 290 I CB -0.117 37.858 38.000 -0.042 0.000 1.093 290 I HN 0.278 nan 8.210 nan 0.000 0.430 291 N N 0.573 119.233 118.700 -0.066 0.000 2.331 291 N HA -0.132 4.607 4.740 -0.001 0.000 0.180 291 N C 1.809 177.250 175.510 -0.115 0.000 1.019 291 N CA 0.946 53.951 53.050 -0.074 0.000 0.881 291 N CB -0.046 38.404 38.487 -0.061 0.000 0.972 291 N HN 0.425 nan 8.380 nan 0.000 0.435 292 Q N 0.679 120.369 119.800 -0.184 0.000 2.123 292 Q HA 0.183 4.522 4.340 -0.001 0.000 0.196 292 Q C 2.069 178.027 176.000 -0.069 0.000 0.958 292 Q CA 0.672 56.375 55.803 -0.167 0.000 0.841 292 Q CB -0.500 28.092 28.738 -0.242 0.000 0.915 292 Q HN 0.287 nan 8.270 nan 0.000 0.455 293 A N 0.808 123.620 122.820 -0.014 0.000 1.972 293 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 293 A C 2.108 179.727 177.584 0.058 0.000 1.169 293 A CA 1.076 53.157 52.037 0.074 0.000 0.635 293 A CB -0.474 18.593 19.000 0.113 0.000 0.810 293 A HN 0.269 nan 8.150 nan 0.000 0.446 294 L N -0.430 120.783 121.223 -0.018 0.000 2.072 294 L HA -0.024 4.316 4.340 -0.001 0.000 0.205 294 L C 2.320 179.146 176.870 -0.074 0.000 1.079 294 L CA 2.230 57.014 54.840 -0.094 0.000 0.752 294 L CB -0.427 41.563 42.059 -0.114 0.000 0.906 294 L HN 0.436 nan 8.230 nan 0.000 0.436 295 K N -0.730 119.640 120.400 -0.049 0.000 2.026 295 K HA -0.161 4.159 4.320 -0.001 0.000 0.208 295 K C 1.969 178.540 176.600 -0.048 0.000 1.048 295 K CA 1.306 57.571 56.287 -0.036 0.000 0.929 295 K CB -0.207 32.255 32.500 -0.064 0.000 0.713 295 K HN 0.363 nan 8.250 nan 0.000 0.439 296 A N 0.118 122.903 122.820 -0.059 0.000 2.076 296 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 296 A C 1.428 178.964 177.584 -0.080 0.000 1.160 296 A CA 1.697 53.674 52.037 -0.101 0.000 0.653 296 A CB -0.585 18.353 19.000 -0.103 0.000 0.801 296 A HN 0.438 nan 8.150 nan 0.000 0.455 297 H N -2.440 116.574 119.070 -0.093 0.000 2.516 297 H HA 0.188 4.743 4.556 -0.001 0.000 0.284 297 H C 1.765 177.023 175.328 -0.117 0.000 0.999 297 H CA 1.357 57.355 56.048 -0.083 0.000 1.303 297 H CB 0.551 30.257 29.762 -0.093 0.000 1.452 297 H HN 0.248 nan 8.280 nan 0.000 0.530 298 V N -0.796 119.087 119.914 -0.052 0.000 3.263 298 V HA 0.244 4.363 4.120 -0.001 0.000 0.248 298 V C 1.721 177.684 176.094 -0.219 0.000 1.145 298 V CA 1.092 63.271 62.300 -0.203 0.000 1.107 298 V CB 0.409 32.036 31.823 -0.327 0.000 0.797 298 V HN 0.417 nan 8.190 nan 0.000 0.467 299 A N -0.943 121.880 122.820 0.004 0.000 2.431 299 A HA 0.509 4.829 4.320 -0.001 0.000 0.239 299 A C 0.673 178.295 177.584 0.064 0.000 1.230 299 A CA 0.098 52.224 52.037 0.148 0.000 0.928 299 A CB 0.219 19.391 19.000 0.288 0.000 1.006 299 A HN 0.308 nan 8.150 nan 0.000 0.520 300 M N 1.809 121.421 119.600 0.020 0.000 2.053 300 M HA 0.326 4.806 4.480 -0.001 0.000 0.297 300 M C -1.384 174.984 176.300 0.113 0.000 0.921 300 M CA -0.253 55.087 55.300 0.067 0.000 0.918 300 M CB 1.447 34.049 32.600 0.004 0.000 1.499 300 M HN 0.129 nan 8.290 nan 0.000 0.422 301 Q N 2.263 122.081 119.800 0.030 0.000 2.267 301 Q HA 0.361 4.700 4.340 -0.001 0.000 0.255 301 Q C -0.231 175.559 176.000 -0.351 0.000 0.923 301 Q CA -0.205 55.544 55.803 -0.089 0.000 0.925 301 Q CB 2.075 30.770 28.738 -0.071 0.000 1.195 301 Q HN 0.515 nan 8.270 nan 0.000 0.417 302 K N 2.281 122.402 120.400 -0.466 0.000 2.350 302 K HA -0.001 4.318 4.320 -0.001 0.000 0.279 302 K C -0.472 175.863 176.600 -0.441 0.000 1.027 302 K CA 0.068 55.875 56.287 -0.801 0.000 0.969 302 K CB 0.455 32.697 32.500 -0.431 0.000 0.954 302 K HN 0.484 nan 8.250 nan 0.000 0.474 303 D N 1.300 121.443 120.400 -0.428 0.000 3.070 303 D HA -0.172 4.467 4.640 -0.001 0.000 0.210 303 D C 0.287 176.498 176.300 -0.148 0.000 1.103 303 D CA 1.125 54.998 54.000 -0.212 0.000 0.980 303 D CB -1.241 39.475 40.800 -0.141 0.000 1.100 303 D HN 0.383 nan 8.370 nan 0.000 0.423 304 V N -2.181 117.628 119.914 -0.174 0.000 3.155 304 V HA 0.107 4.227 4.120 -0.001 0.000 0.225 304 V C 1.058 177.129 176.094 -0.040 0.000 1.462 304 V CA 0.969 63.225 62.300 -0.074 0.000 1.270 304 V CB 0.768 32.564 31.823 -0.045 0.000 1.112 304 V HN -0.101 nan 8.190 nan 0.000 0.479 305 D N -0.392 119.971 120.400 -0.062 0.000 2.262 305 D HA 0.188 4.827 4.640 -0.001 0.000 0.212 305 D C 0.202 176.629 176.300 0.212 0.000 0.964 305 D CA 1.589 55.645 54.000 0.094 0.000 0.875 305 D CB 0.722 41.629 40.800 0.179 0.000 0.996 305 D HN 0.704 nan 8.370 nan 0.000 0.497 306 Y N -1.523 118.806 120.300 0.050 0.000 2.689 306 Y HA 0.481 5.030 4.550 -0.001 0.000 0.333 306 Y C -1.030 174.879 175.900 0.014 0.000 1.208 306 Y CA -1.520 56.609 58.100 0.049 0.000 1.055 306 Y CB 0.917 39.430 38.460 0.089 0.000 1.304 306 Y HN -0.233 nan 8.280 nan 0.000 0.455 307 V N -1.140 118.867 119.914 0.155 0.000 3.102 307 V HA 0.898 5.017 4.120 -0.001 0.000 0.312 307 V C -1.409 174.791 176.094 0.177 0.000 1.135 307 V CA -1.282 61.047 62.300 0.049 0.000 1.022 307 V CB 1.567 33.397 31.823 0.012 0.000 1.056 307 V HN 0.827 nan 8.190 nan 0.000 0.436 308 V N 2.036 122.012 119.914 0.104 0.000 2.313 308 V HA 0.586 4.706 4.120 -0.001 0.000 0.278 308 V C -0.298 175.829 176.094 0.057 0.000 1.017 308 V CA -0.141 62.220 62.300 0.102 0.000 0.823 308 V CB 0.594 32.471 31.823 0.090 0.000 1.010 308 V HN 1.021 nan 8.190 nan 0.000 0.443 309 E N 3.397 123.629 120.200 0.054 0.000 2.263 309 E HA 0.379 4.729 4.350 -0.001 0.000 0.268 309 E C -1.098 175.520 176.600 0.029 0.000 0.884 309 E CA -0.765 55.656 56.400 0.034 0.000 0.766 309 E CB 1.827 31.544 29.700 0.029 0.000 1.196 309 E HN 0.704 nan 8.360 nan 0.000 0.416 310 D N 2.052 122.465 120.400 0.021 0.000 2.699 310 D HA -0.199 4.440 4.640 -0.001 0.000 0.239 310 D C 0.853 177.165 176.300 0.018 0.000 1.136 310 D CA 1.536 55.546 54.000 0.016 0.000 0.668 310 D CB -1.345 39.462 40.800 0.013 0.000 1.060 310 D HN 1.045 nan 8.370 nan 0.000 0.429 311 G N -0.671 108.142 108.800 0.022 0.000 2.189 311 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.267 311 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.267 311 G C 0.299 175.216 174.900 0.028 0.000 0.975 311 G CA 1.068 46.182 45.100 0.022 0.000 0.644 311 G HN 0.556 nan 8.290 nan 0.000 0.537 312 Q N -1.334 118.491 119.800 0.040 0.000 2.572 312 Q HA 0.701 5.040 4.340 -0.001 0.000 0.284 312 Q C -0.676 175.378 176.000 0.089 0.000 1.091 312 Q CA -1.020 54.819 55.803 0.059 0.000 0.840 312 Q CB 2.574 31.344 28.738 0.053 0.000 1.433 312 Q HN 0.185 nan 8.270 nan 0.000 0.471 313 V N 1.565 121.561 119.914 0.135 0.000 2.357 313 V HA 0.338 4.457 4.120 -0.001 0.000 0.284 313 V C -0.606 175.604 176.094 0.192 0.000 1.018 313 V CA -0.595 61.782 62.300 0.127 0.000 0.841 313 V CB 1.420 33.177 31.823 -0.109 0.000 0.991 313 V HN 0.438 nan 8.190 nan 0.000 0.437 314 V N 6.027 126.042 119.914 0.169 0.000 2.409 314 V HA 0.472 4.591 4.120 -0.001 0.000 0.291 314 V C 0.070 176.239 176.094 0.125 0.000 1.020 314 V CA -0.666 61.708 62.300 0.123 0.000 0.848 314 V CB 1.785 33.653 31.823 0.075 0.000 0.990 314 V HN 0.692 nan 8.190 nan 0.000 0.430 315 I N 4.616 125.213 120.570 0.045 0.000 2.581 315 I HA 0.083 4.253 4.170 -0.001 0.000 0.285 315 I C 0.039 176.162 176.117 0.010 0.000 1.129 315 I CA 0.148 61.443 61.300 -0.008 0.000 1.397 315 I CB 0.664 38.519 38.000 -0.243 0.000 1.399 315 I HN 0.314 nan 8.210 nan 0.000 0.537 316 V N 6.404 126.348 119.914 0.050 0.000 2.432 316 V HA -0.004 4.115 4.120 -0.001 0.000 0.271 316 V C 0.766 176.851 176.094 -0.014 0.000 1.046 316 V CA -0.419 61.891 62.300 0.016 0.000 0.945 316 V CB 1.195 33.028 31.823 0.017 0.000 0.992 316 V HN 0.715 nan 8.190 nan 0.000 0.471 317 D N 4.706 125.084 120.400 -0.036 0.000 2.482 317 D HA -0.019 4.621 4.640 -0.001 0.000 0.244 317 D C 1.538 177.772 176.300 -0.111 0.000 1.242 317 D CA 0.717 54.669 54.000 -0.079 0.000 1.097 317 D CB 0.469 41.231 40.800 -0.062 0.000 1.109 317 D HN 0.843 nan 8.370 nan 0.000 0.510 318 S N 3.544 119.148 115.700 -0.161 0.000 2.456 318 S HA -0.390 4.079 4.470 -0.001 0.000 0.359 318 S C 1.697 176.319 174.600 0.036 0.000 1.227 318 S CA 1.870 59.959 58.200 -0.184 0.000 1.598 318 S CB -1.383 61.468 63.200 -0.582 0.000 1.444 318 S HN 0.638 nan 8.310 nan 0.000 0.483 319 F N 2.159 122.118 119.950 0.015 0.000 2.219 319 F HA 0.103 4.629 4.527 -0.001 0.000 0.294 319 F C 3.220 179.024 175.800 0.007 0.000 1.086 319 F CA 0.636 58.642 58.000 0.010 0.000 1.330 319 F CB -0.644 38.362 39.000 0.010 0.000 1.047 319 F HN 0.560 nan 8.300 nan 0.000 0.495 320 T N -1.786 112.858 114.554 0.151 0.000 3.148 320 T HA 0.206 4.555 4.350 -0.001 0.000 0.253 320 T C 1.820 176.554 174.700 0.055 0.000 1.134 320 T CA 0.638 62.791 62.100 0.088 0.000 1.051 320 T CB -0.420 68.480 68.868 0.053 0.000 0.959 320 T HN 0.489 nan 8.240 nan 0.000 0.525 321 G N 1.926 110.759 108.800 0.055 0.000 2.230 321 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.270 321 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.270 321 G C 0.301 175.211 174.900 0.017 0.000 0.987 321 G CA 0.326 45.446 45.100 0.033 0.000 0.664 321 G HN 0.602 nan 8.290 nan 0.000 0.539 322 R N 0.156 120.663 120.500 0.012 0.000 2.340 322 R HA 0.413 4.752 4.340 -0.001 0.000 0.300 322 R C 1.163 177.461 176.300 -0.003 0.000 1.069 322 R CA -0.670 55.432 56.100 0.004 0.000 0.984 322 R CB 0.396 30.699 30.300 0.004 0.000 1.003 322 R HN 0.322 nan 8.270 nan 0.000 0.459 323 L N 3.850 125.072 121.223 -0.002 0.000 2.461 323 L HA 0.137 4.476 4.340 -0.001 0.000 0.272 323 L C 0.903 177.765 176.870 -0.014 0.000 1.197 323 L CA 0.413 55.251 54.840 -0.003 0.000 0.836 323 L CB 0.233 42.294 42.059 0.004 0.000 1.105 323 L HN 0.447 nan 8.230 nan 0.000 0.477 324 M N 2.905 122.491 119.600 -0.023 0.000 3.234 324 M HA 0.163 4.642 4.480 -0.001 0.000 0.211 324 M C 0.994 177.272 176.300 -0.037 0.000 1.149 324 M CA -0.463 54.815 55.300 -0.037 0.000 1.050 324 M CB 0.667 33.231 32.600 -0.059 0.000 1.281 324 M HN 0.397 nan 8.290 nan 0.000 0.574 325 K N 0.744 121.130 120.400 -0.024 0.000 2.227 325 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 325 K C 1.661 178.241 176.600 -0.034 0.000 1.045 325 K CA 2.044 58.319 56.287 -0.021 0.000 0.931 325 K CB -0.465 32.026 32.500 -0.015 0.000 0.721 325 K HN 0.747 nan 8.250 nan 0.000 0.469 326 G N 1.187 109.960 108.800 -0.045 0.000 2.490 326 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.211 326 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.211 326 G C 0.462 175.310 174.900 -0.086 0.000 1.159 326 G CA -0.137 44.928 45.100 -0.058 0.000 0.819 326 G HN 0.363 nan 8.290 nan 0.000 0.539 327 R N 0.447 120.892 120.500 -0.092 0.000 2.641 327 R HA 0.576 4.915 4.340 -0.001 0.000 0.269 327 R C -0.429 175.771 176.300 -0.166 0.000 1.074 327 R CA -0.170 55.858 56.100 -0.121 0.000 1.133 327 R CB 0.787 31.019 30.300 -0.114 0.000 1.029 327 R HN 0.119 nan 8.270 nan 0.000 0.488 328 R N 0.603 120.988 120.500 -0.192 0.000 2.950 328 R HA 0.361 4.701 4.340 -0.001 0.000 0.253 328 R C -0.863 175.422 176.300 -0.025 0.000 1.168 328 R CA -0.921 55.062 56.100 -0.194 0.000 1.014 328 R CB 0.941 30.933 30.300 -0.513 0.000 1.228 328 R HN 0.503 nan 8.270 nan 0.000 0.487 329 Y N 0.128 120.632 120.300 0.339 0.000 2.403 329 Y HA 0.298 4.847 4.550 -0.001 0.000 0.323 329 Y C 0.788 176.744 175.900 0.093 0.000 1.226 329 Y CA -0.259 57.926 58.100 0.142 0.000 1.235 329 Y CB 1.717 40.221 38.460 0.072 0.000 1.248 329 Y HN 0.584 nan 8.280 nan 0.000 0.489 330 S N -0.102 115.734 115.700 0.227 0.000 2.747 330 S HA 0.459 4.929 4.470 -0.001 0.000 0.300 330 S C -0.679 174.000 174.600 0.132 0.000 1.121 330 S CA -0.850 57.433 58.200 0.138 0.000 0.995 330 S CB 1.479 64.731 63.200 0.087 0.000 1.113 330 S HN 0.694 nan 8.310 nan 0.000 0.547 331 E N -0.388 119.885 120.200 0.121 0.000 2.340 331 E HA -0.170 4.179 4.350 -0.001 0.000 0.240 331 E C 0.855 177.576 176.600 0.201 0.000 1.154 331 E CA 0.880 57.382 56.400 0.170 0.000 0.717 331 E CB -2.339 27.472 29.700 0.185 0.000 1.250 331 E HN 1.778 nan 8.360 nan 0.000 0.386 332 G N -0.011 108.886 108.800 0.162 0.000 2.212 332 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.267 332 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.267 332 G C 0.845 175.797 174.900 0.087 0.000 1.002 332 G CA 0.926 46.124 45.100 0.163 0.000 0.729 332 G HN 0.457 nan 8.290 nan 0.000 0.517 333 L N -0.670 120.586 121.223 0.056 0.000 2.291 333 L HA 0.251 4.591 4.340 -0.001 0.000 0.214 333 L C 2.148 178.977 176.870 -0.068 0.000 1.120 333 L CA 2.607 57.417 54.840 -0.049 0.000 0.799 333 L CB -0.351 41.646 42.059 -0.104 0.000 0.925 333 L HN 0.444 nan 8.230 nan 0.000 0.446 334 H N -1.317 117.749 119.070 -0.006 0.000 2.395 334 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 334 H C 2.097 177.352 175.328 -0.122 0.000 1.070 334 H CA 1.559 57.606 56.048 -0.002 0.000 1.356 334 H CB 0.332 30.125 29.762 0.052 0.000 1.401 334 H HN 0.344 nan 8.280 nan 0.000 0.524 335 Q N -0.065 119.714 119.800 -0.034 0.000 2.167 335 Q HA -0.007 4.332 4.340 -0.001 0.000 0.202 335 Q C 2.354 178.205 176.000 -0.249 0.000 0.970 335 Q CA 1.172 56.791 55.803 -0.308 0.000 0.855 335 Q CB -0.199 28.029 28.738 -0.850 0.000 0.911 335 Q HN 0.548 nan 8.270 nan 0.000 0.438 336 A N 0.333 123.090 122.820 -0.104 0.000 1.902 336 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 336 A C 2.021 179.541 177.584 -0.107 0.000 1.181 336 A CA 1.318 53.335 52.037 -0.033 0.000 0.623 336 A CB -0.588 18.387 19.000 -0.043 0.000 0.818 336 A HN 0.369 nan 8.150 nan 0.000 0.443 337 I N -0.668 119.761 120.570 -0.236 0.000 2.500 337 I HA -0.169 4.000 4.170 -0.001 0.000 0.252 337 I C 2.334 178.294 176.117 -0.263 0.000 1.142 337 I CA 0.993 62.082 61.300 -0.352 0.000 1.451 337 I CB -0.366 37.225 38.000 -0.681 0.000 1.093 337 I HN 0.404 nan 8.210 nan 0.000 0.430 338 E N 1.266 121.346 120.200 -0.200 0.000 2.110 338 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 338 E C 2.382 178.936 176.600 -0.075 0.000 0.988 338 E CA 1.288 57.619 56.400 -0.114 0.000 0.804 338 E CB -0.143 29.512 29.700 -0.075 0.000 0.745 338 E HN 0.511 nan 8.360 nan 0.000 0.458 339 A N 2.129 124.909 122.820 -0.067 0.000 1.855 339 A HA -0.239 4.080 4.320 -0.001 0.000 0.215 339 A C 2.103 179.705 177.584 0.030 0.000 1.191 339 A CA 1.735 53.776 52.037 0.006 0.000 0.613 339 A CB -0.460 18.581 19.000 0.069 0.000 0.829 339 A HN 0.110 nan 8.150 nan 0.000 0.442 340 K N -0.218 120.188 120.400 0.010 0.000 2.001 340 K HA -0.211 4.108 4.320 -0.001 0.000 0.214 340 K C 1.184 177.761 176.600 -0.038 0.000 1.050 340 K CA 1.800 58.075 56.287 -0.020 0.000 0.934 340 K CB -0.255 32.077 32.500 -0.280 0.000 0.718 340 K HN 0.348 nan 8.250 nan 0.000 0.443 341 E N -0.146 120.023 120.200 -0.052 0.000 2.520 341 E HA -0.032 4.317 4.350 -0.001 0.000 0.201 341 E C 0.793 177.397 176.600 0.007 0.000 1.122 341 E CA 0.838 57.234 56.400 -0.008 0.000 0.896 341 E CB -0.199 29.513 29.700 0.019 0.000 0.891 341 E HN 0.678 nan 8.360 nan 0.000 0.533 342 G N 1.424 110.230 108.800 0.011 0.000 2.258 342 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.274 342 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.274 342 G C 0.347 175.255 174.900 0.013 0.000 1.021 342 G CA 0.573 45.685 45.100 0.020 0.000 0.798 342 G HN 0.247 nan 8.290 nan 0.000 0.507 343 L N -0.830 120.395 121.223 0.002 0.000 2.488 343 L HA 0.467 4.806 4.340 -0.001 0.000 0.249 343 L C 1.164 178.032 176.870 -0.004 0.000 1.151 343 L CA -0.912 53.929 54.840 0.002 0.000 0.806 343 L CB 0.525 42.584 42.059 0.001 0.000 1.261 343 L HN 0.268 nan 8.230 nan 0.000 0.484 344 E N 1.475 121.673 120.200 -0.003 0.000 2.328 344 E HA 0.104 4.453 4.350 -0.001 0.000 0.265 344 E C -0.697 175.886 176.600 -0.028 0.000 1.057 344 E CA -0.314 56.082 56.400 -0.007 0.000 0.916 344 E CB 0.500 30.198 29.700 -0.003 0.000 0.993 344 E HN 0.327 nan 8.360 nan 0.000 0.446 345 I N 5.436 125.979 120.570 -0.045 0.000 2.421 345 I HA -0.043 4.126 4.170 -0.001 0.000 0.291 345 I C 0.516 176.573 176.117 -0.100 0.000 1.089 345 I CA 0.277 61.511 61.300 -0.111 0.000 1.354 345 I CB 0.434 38.334 38.000 -0.166 0.000 1.413 345 I HN 0.413 nan 8.210 nan 0.000 0.513 346 Q N 6.326 126.068 119.800 -0.097 0.000 2.389 346 Q HA 0.149 4.489 4.340 -0.001 0.000 0.244 346 Q C -0.374 175.571 176.000 -0.092 0.000 1.056 346 Q CA -0.643 55.116 55.803 -0.073 0.000 0.908 346 Q CB 0.633 29.331 28.738 -0.066 0.000 1.273 346 Q HN 0.602 nan 8.270 nan 0.000 0.471 347 N N 1.247 119.917 118.700 -0.051 0.000 2.483 347 N HA 0.051 4.790 4.740 -0.001 0.000 0.269 347 N C -0.201 175.323 175.510 0.023 0.000 1.209 347 N CA -0.511 52.540 53.050 0.001 0.000 0.969 347 N CB 0.778 39.328 38.487 0.105 0.000 1.173 347 N HN 0.358 nan 8.380 nan 0.000 0.475 348 E N -0.275 119.960 120.200 0.058 0.000 2.369 348 E HA 0.297 4.646 4.350 -0.001 0.000 0.255 348 E C -0.416 176.214 176.600 0.050 0.000 1.172 348 E CA -0.820 55.607 56.400 0.044 0.000 0.932 348 E CB 0.288 30.024 29.700 0.060 0.000 1.040 348 E HN 0.707 nan 8.360 nan 0.000 0.454 349 S N 0.687 116.408 115.700 0.034 0.000 2.669 349 S HA 0.445 4.915 4.470 -0.001 0.000 0.270 349 S C 0.318 174.942 174.600 0.039 0.000 1.225 349 S CA -0.901 57.320 58.200 0.034 0.000 0.991 349 S CB 0.690 63.903 63.200 0.023 0.000 0.987 349 S HN 0.442 nan 8.310 nan 0.000 0.552 350 M N 1.631 121.253 119.600 0.037 0.000 2.404 350 M HA 0.314 4.793 4.480 -0.001 0.000 0.338 350 M C -0.305 176.009 176.300 0.024 0.000 1.150 350 M CA -0.314 55.004 55.300 0.030 0.000 1.016 350 M CB 1.535 34.154 32.600 0.032 0.000 1.672 350 M HN 0.650 nan 8.290 nan 0.000 0.448 351 T N 3.571 118.130 114.554 0.008 0.000 2.870 351 T HA 0.315 4.664 4.350 -0.001 0.000 0.300 351 T C 1.452 176.163 174.700 0.018 0.000 0.989 351 T CA -0.108 62.000 62.100 0.014 0.000 1.139 351 T CB 0.665 69.526 68.868 -0.011 0.000 0.920 351 T HN 0.526 nan 8.240 nan 0.000 0.537 352 L N 1.576 122.840 121.223 0.069 0.000 2.425 352 L HA 0.470 4.810 4.340 -0.001 0.000 0.215 352 L C 1.098 178.098 176.870 0.217 0.000 1.065 352 L CA 0.015 54.925 54.840 0.117 0.000 0.842 352 L CB 0.050 42.180 42.059 0.117 0.000 1.033 352 L HN 0.626 nan 8.230 nan 0.000 0.474 353 A N -0.739 122.215 122.820 0.223 0.000 2.520 353 A HA 0.693 5.012 4.320 -0.001 0.000 0.298 353 A C -0.788 176.956 177.584 0.267 0.000 1.051 353 A CA -0.266 51.981 52.037 0.350 0.000 0.690 353 A CB 2.034 21.247 19.000 0.355 0.000 1.281 353 A HN -0.088 nan 8.150 nan 0.000 0.402 354 T N 0.682 115.412 114.554 0.292 0.000 2.840 354 T HA 0.723 5.073 4.350 -0.001 0.000 0.317 354 T C -1.636 173.192 174.700 0.213 0.000 1.401 354 T CA -0.138 62.081 62.100 0.198 0.000 1.028 354 T CB 0.926 69.856 68.868 0.103 0.000 1.317 354 T HN 1.678 nan 8.240 nan 0.000 0.495 355 I N 2.343 123.003 120.570 0.150 0.000 2.721 355 I HA 0.435 4.604 4.170 -0.001 0.000 0.292 355 I C -0.505 175.665 176.117 0.089 0.000 1.674 355 I CA -0.505 60.886 61.300 0.152 0.000 0.993 355 I CB 2.078 40.215 38.000 0.228 0.000 1.448 355 I HN 0.916 nan 8.210 nan 0.000 0.500 356 T N 2.152 116.770 114.554 0.107 0.000 2.881 356 T HA 0.445 4.795 4.350 -0.001 0.000 0.278 356 T C 1.090 175.941 174.700 0.252 0.000 0.982 356 T CA -0.328 61.820 62.100 0.080 0.000 0.989 356 T CB 0.946 69.868 68.868 0.090 0.000 1.058 356 T HN 0.497 nan 8.240 nan 0.000 0.529 357 F N 0.118 120.164 119.950 0.160 0.000 2.134 357 F HA -0.149 4.378 4.527 -0.001 0.000 0.299 357 F C 3.105 179.156 175.800 0.418 0.000 1.097 357 F CA 1.201 59.372 58.000 0.285 0.000 1.264 357 F CB -0.101 39.093 39.000 0.325 0.000 1.001 357 F HN 0.714 nan 8.300 nan 0.000 0.479 358 Q N 0.868 121.002 119.800 0.558 0.000 2.030 358 Q HA -0.244 4.096 4.340 -0.001 0.000 0.204 358 Q C 1.630 177.843 176.000 0.354 0.000 0.986 358 Q CA 1.883 57.988 55.803 0.503 0.000 0.843 358 Q CB -0.164 28.784 28.738 0.351 0.000 0.904 358 Q HN 0.315 nan 8.270 nan 0.000 0.420 359 N N -0.472 118.372 118.700 0.241 0.000 2.494 359 N HA -0.113 4.627 4.740 -0.001 0.000 0.182 359 N C 1.253 176.832 175.510 0.115 0.000 1.076 359 N CA 0.674 53.812 53.050 0.147 0.000 0.908 359 N CB -0.110 38.447 38.487 0.117 0.000 0.967 359 N HN 0.414 nan 8.380 nan 0.000 0.449 360 Y N 0.364 120.687 120.300 0.038 0.000 2.231 360 Y HA 0.087 4.636 4.550 -0.001 0.000 0.294 360 Y C 1.763 177.589 175.900 -0.123 0.000 1.120 360 Y CA 0.908 58.902 58.100 -0.176 0.000 1.141 360 Y CB -0.683 37.621 38.460 -0.261 0.000 1.022 360 Y HN -0.167 nan 8.280 nan 0.000 0.523 361 F N 0.764 120.625 119.950 -0.148 0.000 2.333 361 F HA -0.082 4.444 4.527 -0.001 0.000 0.300 361 F C 2.161 177.958 175.800 -0.006 0.000 1.083 361 F CA 1.104 58.996 58.000 -0.179 0.000 1.395 361 F CB -0.124 38.834 39.000 -0.071 0.000 1.056 361 F HN -0.032 nan 8.300 nan 0.000 0.529 362 R N -0.646 119.955 120.500 0.168 0.000 2.307 362 R HA -0.015 4.325 4.340 -0.001 0.000 0.199 362 R C 1.653 177.974 176.300 0.035 0.000 1.000 362 R CA 0.409 56.582 56.100 0.122 0.000 1.023 362 R CB -0.103 30.235 30.300 0.065 0.000 0.908 362 R HN 0.260 nan 8.270 nan 0.000 0.473 363 M N -0.349 119.203 119.600 -0.080 0.000 2.562 363 M HA 0.007 4.487 4.480 -0.001 0.000 0.257 363 M C 0.217 176.432 176.300 -0.143 0.000 1.099 363 M CA 0.567 55.772 55.300 -0.158 0.000 1.099 363 M CB -0.440 31.940 32.600 -0.367 0.000 1.427 363 M HN -0.075 nan 8.290 nan 0.000 0.489 364 Y N 0.707 120.911 120.300 -0.161 0.000 2.330 364 Y HA -0.048 4.501 4.550 -0.001 0.000 0.341 364 Y C 1.903 177.788 175.900 -0.025 0.000 1.278 364 Y CA 0.534 58.581 58.100 -0.088 0.000 1.453 364 Y CB 0.458 38.877 38.460 -0.068 0.000 1.342 364 Y HN 0.164 nan 8.280 nan 0.000 0.590 365 E N 0.555 120.848 120.200 0.156 0.000 2.166 365 E HA 0.021 4.370 4.350 -0.001 0.000 0.192 365 E C -0.133 176.537 176.600 0.116 0.000 0.967 365 E CA 0.490 56.955 56.400 0.109 0.000 0.840 365 E CB 0.405 30.179 29.700 0.123 0.000 0.795 365 E HN 0.439 nan 8.360 nan 0.000 0.470 366 K N 0.408 120.911 120.400 0.172 0.000 2.468 366 K HA 0.377 4.696 4.320 -0.001 0.000 0.252 366 K C -1.849 174.928 176.600 0.295 0.000 0.932 366 K CA -0.701 55.692 56.287 0.177 0.000 0.794 366 K CB 1.460 33.975 32.500 0.025 0.000 1.241 366 K HN -0.090 nan 8.250 nan 0.000 0.428 367 L N 1.938 123.270 121.223 0.182 0.000 2.388 367 L HA 0.827 5.166 4.340 -0.001 0.000 0.264 367 L C -1.375 175.524 176.870 0.049 0.000 0.998 367 L CA -0.352 54.488 54.840 0.000 0.000 0.817 367 L CB 2.076 44.098 42.059 -0.063 0.000 1.338 367 L HN 0.842 nan 8.230 nan 0.000 0.414 368 A N 1.050 123.808 122.820 -0.105 0.000 2.604 368 A HA 0.934 5.253 4.320 -0.001 0.000 0.295 368 A C -0.891 176.539 177.584 -0.256 0.000 1.067 368 A CA 0.087 52.074 52.037 -0.083 0.000 0.683 368 A CB 1.721 20.812 19.000 0.151 0.000 1.281 368 A HN 0.911 nan 8.150 nan 0.000 0.407 369 G N 0.014 108.657 108.800 -0.262 0.000 2.695 369 G HA2 0.761 4.720 3.960 -0.001 0.000 0.290 369 G HA3 0.761 4.720 3.960 -0.001 0.000 0.290 369 G C -0.931 173.820 174.900 -0.248 0.000 1.410 369 G CA -0.497 44.416 45.100 -0.312 0.000 0.844 369 G HN 1.275 nan 8.290 nan 0.000 0.478 370 M N -0.071 119.397 119.600 -0.221 0.000 2.501 370 M HA 0.845 5.325 4.480 -0.001 0.000 0.293 370 M C -0.772 175.444 176.300 -0.139 0.000 1.192 370 M CA -0.884 54.318 55.300 -0.163 0.000 0.886 370 M CB 2.390 34.916 32.600 -0.123 0.000 1.710 370 M HN 0.789 nan 8.290 nan 0.000 0.457 371 T N -0.303 114.188 114.554 -0.106 0.000 2.843 371 T HA 0.458 4.808 4.350 -0.001 0.000 0.337 371 T C 0.170 174.842 174.700 -0.047 0.000 1.754 371 T CA 0.078 62.138 62.100 -0.068 0.000 1.052 371 T CB 1.367 70.203 68.868 -0.054 0.000 1.588 371 T HN 0.969 nan 8.240 nan 0.000 0.493 372 G N 1.073 109.858 108.800 -0.025 0.000 2.880 372 G HA2 0.327 4.287 3.960 -0.001 0.000 0.209 372 G HA3 0.327 4.287 3.960 -0.001 0.000 0.209 372 G C 0.524 175.421 174.900 -0.006 0.000 1.157 372 G CA 0.749 45.839 45.100 -0.016 0.000 0.779 372 G HN 1.296 nan 8.290 nan 0.000 0.539 373 T N -3.609 110.947 114.554 0.004 0.000 3.077 373 T HA 0.693 5.042 4.350 -0.001 0.000 0.359 373 T C 0.129 174.865 174.700 0.059 0.000 1.108 373 T CA 0.119 62.233 62.100 0.023 0.000 1.170 373 T CB 1.417 70.300 68.868 0.025 0.000 1.045 373 T HN 0.248 nan 8.240 nan 0.000 0.505 374 A N 2.786 125.649 122.820 0.071 0.000 2.167 374 A HA 0.415 4.735 4.320 -0.001 0.000 0.184 374 A C 1.814 179.501 177.584 0.172 0.000 1.675 374 A CA 0.190 52.341 52.037 0.190 0.000 1.215 374 A CB -0.209 18.882 19.000 0.152 0.000 1.427 374 A HN 0.585 nan 8.150 nan 0.000 0.457 375 K N 1.080 121.523 120.400 0.071 0.000 2.077 375 K HA -0.179 4.140 4.320 -0.001 0.000 0.213 375 K C 1.757 178.369 176.600 0.020 0.000 1.051 375 K CA 2.790 59.102 56.287 0.041 0.000 0.929 375 K CB -0.905 31.597 32.500 0.004 0.000 0.715 375 K HN 0.481 nan 8.250 nan 0.000 0.451 376 T N 0.932 115.481 114.554 -0.008 0.000 2.822 376 T HA -0.116 4.233 4.350 -0.001 0.000 0.270 376 T C 0.846 175.475 174.700 -0.119 0.000 1.064 376 T CA 1.537 63.599 62.100 -0.064 0.000 1.131 376 T CB -0.201 68.627 68.868 -0.067 0.000 0.858 376 T HN 0.292 nan 8.240 nan 0.000 0.483 377 E N 0.665 120.812 120.200 -0.088 0.000 2.476 377 E HA 0.130 4.480 4.350 -0.001 0.000 0.196 377 E C 1.684 178.210 176.600 -0.124 0.000 1.029 377 E CA -0.042 56.221 56.400 -0.230 0.000 0.896 377 E CB -0.108 29.338 29.700 -0.423 0.000 1.012 377 E HN 0.698 nan 8.360 nan 0.000 0.475 378 E N 2.182 122.431 120.200 0.082 0.000 2.113 378 E HA -0.332 4.018 4.350 -0.001 0.000 0.210 378 E C 1.879 178.566 176.600 0.145 0.000 1.040 378 E CA 1.971 58.489 56.400 0.197 0.000 0.847 378 E CB 0.033 29.792 29.700 0.098 0.000 0.755 378 E HN 0.342 nan 8.360 nan 0.000 0.459 379 E N 0.201 120.412 120.200 0.019 0.000 2.033 379 E HA -0.320 4.029 4.350 -0.001 0.000 0.199 379 E C 2.162 178.842 176.600 0.133 0.000 1.011 379 E CA 1.743 58.169 56.400 0.045 0.000 0.815 379 E CB -0.204 29.472 29.700 -0.040 0.000 0.755 379 E HN 0.430 nan 8.360 nan 0.000 0.451 380 E N -0.409 119.858 120.200 0.111 0.000 2.097 380 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 380 E C 1.945 178.675 176.600 0.217 0.000 1.000 380 E CA 1.511 58.050 56.400 0.231 0.000 0.804 380 E CB -0.326 29.526 29.700 0.254 0.000 0.740 380 E HN 0.370 nan 8.360 nan 0.000 0.454 381 F N 0.516 120.591 119.950 0.207 0.000 2.161 381 F HA -0.173 4.353 4.527 -0.001 0.000 0.300 381 F C 2.696 178.617 175.800 0.202 0.000 1.089 381 F CA 1.022 59.163 58.000 0.236 0.000 1.282 381 F CB -0.029 39.030 39.000 0.099 0.000 1.010 381 F HN -0.016 nan 8.300 nan 0.000 0.485 382 R N 0.040 120.733 120.500 0.322 0.000 2.061 382 R HA -0.169 4.170 4.340 -0.001 0.000 0.230 382 R C 2.058 178.447 176.300 0.148 0.000 1.140 382 R CA 1.465 57.682 56.100 0.195 0.000 0.940 382 R CB -1.054 29.329 30.300 0.137 0.000 0.839 382 R HN 0.340 nan 8.270 nan 0.000 0.429 383 N N 1.116 119.894 118.700 0.131 0.000 2.149 383 N HA -0.155 4.584 4.740 -0.001 0.000 0.188 383 N C 1.735 177.253 175.510 0.014 0.000 1.019 383 N CA 1.323 54.416 53.050 0.072 0.000 0.857 383 N CB 0.115 38.648 38.487 0.077 0.000 0.997 383 N HN 0.193 nan 8.380 nan 0.000 0.426 384 I N -1.006 119.561 120.570 -0.005 0.000 2.512 384 I HA -0.130 4.040 4.170 -0.001 0.000 0.247 384 I C 0.946 176.851 176.117 -0.353 0.000 1.094 384 I CA 0.655 61.802 61.300 -0.254 0.000 1.427 384 I CB -0.214 37.508 38.000 -0.462 0.000 1.149 384 I HN 0.032 nan 8.210 nan 0.000 0.438 385 Y N 0.279 120.657 120.300 0.129 0.000 2.485 385 Y HA 0.247 4.797 4.550 -0.001 0.000 0.260 385 Y C 0.689 176.631 175.900 0.070 0.000 1.173 385 Y CA -0.364 57.797 58.100 0.101 0.000 1.252 385 Y CB -0.670 37.861 38.460 0.118 0.000 1.123 385 Y HN 0.205 nan 8.280 nan 0.000 0.524 386 N N 1.151 119.956 118.700 0.175 0.000 2.716 386 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 386 N C -0.803 174.772 175.510 0.108 0.000 1.033 386 N CA 0.056 53.176 53.050 0.117 0.000 0.727 386 N CB -0.714 37.817 38.487 0.072 0.000 0.950 386 N HN 0.342 nan 8.380 nan 0.000 0.541 387 M N 0.762 120.442 119.600 0.134 0.000 2.598 387 M HA 0.353 4.832 4.480 -0.001 0.000 0.317 387 M C -0.377 175.952 176.300 0.049 0.000 1.179 387 M CA -0.509 54.817 55.300 0.044 0.000 0.936 387 M CB 2.219 34.785 32.600 -0.056 0.000 1.713 387 M HN 0.033 nan 8.290 nan 0.000 0.460 388 Q N 0.785 120.588 119.800 0.004 0.000 2.348 388 Q HA 0.641 4.980 4.340 -0.001 0.000 0.271 388 Q C -1.288 174.687 176.000 -0.042 0.000 1.067 388 Q CA -0.983 54.832 55.803 0.020 0.000 0.839 388 Q CB 2.949 31.708 28.738 0.034 0.000 1.354 388 Q HN 0.462 nan 8.270 nan 0.000 0.447 389 V N 2.095 121.998 119.914 -0.018 0.000 2.432 389 V HA 0.252 4.371 4.120 -0.001 0.000 0.275 389 V C -0.377 175.678 176.094 -0.066 0.000 1.043 389 V CA -0.549 61.714 62.300 -0.062 0.000 0.925 389 V CB 1.297 33.122 31.823 0.002 0.000 0.985 389 V HN 0.482 nan 8.190 nan 0.000 0.466 390 V N 4.198 124.039 119.914 -0.122 0.000 2.334 390 V HA 0.257 4.377 4.120 -0.001 0.000 0.281 390 V C 0.431 176.412 176.094 -0.188 0.000 1.016 390 V CA -0.393 61.797 62.300 -0.182 0.000 0.832 390 V CB 1.735 33.357 31.823 -0.335 0.000 0.999 390 V HN 0.945 nan 8.190 nan 0.000 0.439 391 T N 6.982 121.455 114.554 -0.136 0.000 2.743 391 T HA 0.330 4.679 4.350 -0.001 0.000 0.290 391 T C 0.146 174.772 174.700 -0.124 0.000 0.908 391 T CA -0.084 61.952 62.100 -0.106 0.000 1.092 391 T CB -0.204 68.627 68.868 -0.061 0.000 0.882 391 T HN 0.261 nan 8.240 nan 0.000 0.531 392 I N 6.005 126.502 120.570 -0.121 0.000 2.395 392 I HA 0.298 4.468 4.170 -0.001 0.000 0.289 392 I C -1.965 174.119 176.117 -0.055 0.000 1.023 392 I CA -3.632 57.606 61.300 -0.102 0.000 1.350 392 I CB 0.148 38.093 38.000 -0.092 0.000 1.409 392 I HN 0.316 nan 8.210 nan 0.000 0.507 393 P HA 0.152 nan 4.420 nan 0.000 0.271 393 P C -0.119 177.169 177.300 -0.020 0.000 1.216 393 P CA -0.249 62.837 63.100 -0.023 0.000 0.776 393 P CB 0.291 31.983 31.700 -0.013 0.000 0.881 394 T N -1.100 113.440 114.554 -0.023 0.000 2.903 394 T HA -0.013 4.336 4.350 -0.001 0.000 0.314 394 T C 1.233 175.905 174.700 -0.047 0.000 1.078 394 T CA -0.353 61.731 62.100 -0.027 0.000 1.114 394 T CB 0.285 69.137 68.868 -0.028 0.000 0.987 394 T HN 0.422 nan 8.240 nan 0.000 0.548 395 N N 1.007 119.663 118.700 -0.074 0.000 2.188 395 N HA -0.090 4.649 4.740 -0.001 0.000 0.184 395 N C 0.433 175.841 175.510 -0.170 0.000 1.018 395 N CA 0.670 53.622 53.050 -0.165 0.000 0.858 395 N CB 0.177 38.457 38.487 -0.345 0.000 0.989 395 N HN 0.527 nan 8.380 nan 0.000 0.426 396 R N 0.161 120.584 120.500 -0.128 0.000 2.854 396 R HA 0.438 4.778 4.340 -0.001 0.000 0.271 396 R C -2.707 173.558 176.300 -0.059 0.000 0.994 396 R CA -1.769 54.272 56.100 -0.099 0.000 0.945 396 R CB 1.524 31.763 30.300 -0.101 0.000 1.194 396 R HN -0.024 nan 8.270 nan 0.000 0.476 397 P HA 0.039 nan 4.420 nan 0.000 0.271 397 P C -0.584 176.702 177.300 -0.023 0.000 1.220 397 P CA -0.239 62.844 63.100 -0.029 0.000 0.768 397 P CB 0.614 32.299 31.700 -0.024 0.000 0.848 398 V N 4.787 124.691 119.914 -0.016 0.000 2.479 398 V HA -0.009 4.111 4.120 -0.001 0.000 0.281 398 V C 1.557 177.648 176.094 -0.005 0.000 1.031 398 V CA 0.407 62.702 62.300 -0.009 0.000 1.038 398 V CB 0.705 32.525 31.823 -0.004 0.000 0.981 398 V HN 0.509 nan 8.190 nan 0.000 0.478 399 V N 2.780 122.692 119.914 -0.002 0.000 3.578 399 V HA 0.330 4.449 4.120 -0.001 0.000 0.290 399 V C 1.000 177.098 176.094 0.007 0.000 1.376 399 V CA -0.142 62.159 62.300 0.001 0.000 1.083 399 V CB -0.359 31.463 31.823 -0.001 0.000 0.911 399 V HN 0.747 nan 8.190 nan 0.000 0.433 400 R N 1.897 122.403 120.500 0.011 0.000 2.522 400 R HA 0.052 4.392 4.340 -0.001 0.000 0.284 400 R C -0.243 176.070 176.300 0.021 0.000 1.032 400 R CA 0.254 56.366 56.100 0.019 0.000 1.049 400 R CB 0.322 30.637 30.300 0.025 0.000 0.956 400 R HN 0.457 nan 8.270 nan 0.000 0.422 401 D N 3.593 124.008 120.400 0.024 0.000 2.517 401 D HA 0.020 4.659 4.640 -0.001 0.000 0.220 401 D C -0.902 175.419 176.300 0.035 0.000 1.158 401 D CA -0.283 53.732 54.000 0.025 0.000 0.992 401 D CB 0.162 40.975 40.800 0.022 0.000 1.058 401 D HN 0.356 nan 8.370 nan 0.000 0.516 402 D N 3.669 124.091 120.400 0.037 0.000 2.498 402 D HA 0.017 4.657 4.640 -0.001 0.000 0.229 402 D C 0.621 176.947 176.300 0.044 0.000 1.188 402 D CA -0.156 53.877 54.000 0.054 0.000 1.028 402 D CB 0.257 41.089 40.800 0.052 0.000 1.087 402 D HN 0.181 nan 8.370 nan 0.000 0.510 403 R N 1.836 122.362 120.500 0.044 0.000 2.698 403 R HA 0.129 4.469 4.340 -0.001 0.000 0.266 403 R C -2.147 174.168 176.300 0.023 0.000 1.026 403 R CA -1.254 54.860 56.100 0.024 0.000 1.102 403 R CB -0.621 29.687 30.300 0.014 0.000 0.978 403 R HN 0.143 nan 8.270 nan 0.000 0.436 404 P HA 0.006 nan 4.420 nan 0.000 0.271 404 P C -0.671 176.621 177.300 -0.015 0.000 1.218 404 P CA -0.104 62.989 63.100 -0.012 0.000 0.780 404 P CB 0.457 32.143 31.700 -0.023 0.000 0.901 405 D N 1.387 121.781 120.400 -0.010 0.000 2.515 405 D HA -0.022 4.617 4.640 -0.001 0.000 0.232 405 D C 0.080 176.362 176.300 -0.031 0.000 1.157 405 D CA 0.835 54.838 54.000 0.005 0.000 0.871 405 D CB 0.311 41.116 40.800 0.008 0.000 1.200 405 D HN 0.224 nan 8.370 nan 0.000 0.466 406 L N 2.134 123.328 121.223 -0.049 0.000 2.322 406 L HA 0.450 4.790 4.340 -0.001 0.000 0.281 406 L C -0.127 176.775 176.870 0.054 0.000 1.014 406 L CA -0.605 54.201 54.840 -0.057 0.000 0.815 406 L CB 1.330 43.315 42.059 -0.124 0.000 1.247 406 L HN 0.167 nan 8.230 nan 0.000 0.421 407 I N 3.106 123.656 120.570 -0.033 0.000 2.389 407 I HA 0.344 4.513 4.170 -0.001 0.000 0.288 407 I C -0.950 175.112 176.117 -0.092 0.000 0.999 407 I CA -0.617 60.704 61.300 0.035 0.000 1.129 407 I CB 1.417 39.423 38.000 0.010 0.000 1.288 407 I HN 0.395 nan 8.210 nan 0.000 0.444 408 Y N 4.201 124.521 120.300 0.033 0.000 2.519 408 Y HA 0.421 4.971 4.550 -0.001 0.000 0.324 408 Y C 1.291 177.196 175.900 0.008 0.000 1.214 408 Y CA -0.708 57.408 58.100 0.027 0.000 1.260 408 Y CB 1.059 39.535 38.460 0.027 0.000 1.311 408 Y HN 0.431 nan 8.280 nan 0.000 0.505 409 R N -0.281 120.303 120.500 0.140 0.000 2.075 409 R HA 0.004 4.343 4.340 -0.001 0.000 0.226 409 R C -0.039 176.299 176.300 0.063 0.000 1.114 409 R CA 1.342 57.489 56.100 0.078 0.000 0.972 409 R CB -0.029 30.304 30.300 0.055 0.000 0.869 409 R HN 0.835 nan 8.270 nan 0.000 0.437 410 T N -3.015 111.579 114.554 0.066 0.000 2.912 410 T HA 0.257 4.606 4.350 -0.001 0.000 0.288 410 T C 1.254 175.924 174.700 -0.049 0.000 1.030 410 T CA -0.894 61.215 62.100 0.016 0.000 1.020 410 T CB 1.727 70.609 68.868 0.022 0.000 1.056 410 T HN -0.107 nan 8.240 nan 0.000 0.480 411 M N 0.798 120.333 119.600 -0.109 0.000 2.082 411 M HA -0.146 4.333 4.480 -0.001 0.000 0.258 411 M C 1.945 178.071 176.300 -0.290 0.000 1.069 411 M CA 1.967 57.083 55.300 -0.306 0.000 1.102 411 M CB -1.036 31.450 32.600 -0.191 0.000 1.336 411 M HN 0.745 nan 8.290 nan 0.000 0.404 412 E N 0.439 120.607 120.200 -0.053 0.000 2.049 412 E HA -0.144 4.205 4.350 -0.001 0.000 0.198 412 E C 2.081 178.664 176.600 -0.029 0.000 1.007 412 E CA 1.683 58.102 56.400 0.031 0.000 0.809 412 E CB -1.015 28.710 29.700 0.041 0.000 0.749 412 E HN 0.632 nan 8.360 nan 0.000 0.450 413 G N 1.000 109.776 108.800 -0.040 0.000 2.446 413 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.217 413 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.217 413 G C 1.492 176.221 174.900 -0.285 0.000 1.168 413 G CA 1.178 46.259 45.100 -0.031 0.000 0.771 413 G HN 0.289 nan 8.290 nan 0.000 0.551 414 K N -0.280 119.893 120.400 -0.379 0.000 2.057 414 K HA -0.023 4.296 4.320 -0.001 0.000 0.207 414 K C 2.242 178.535 176.600 -0.511 0.000 1.049 414 K CA 1.133 57.038 56.287 -0.637 0.000 0.931 414 K CB -0.358 31.871 32.500 -0.453 0.000 0.714 414 K HN 0.425 nan 8.250 nan 0.000 0.440 415 F N 1.095 120.893 119.950 -0.254 0.000 2.206 415 F HA -0.097 4.430 4.527 -0.001 0.000 0.298 415 F C 2.577 178.219 175.800 -0.263 0.000 1.090 415 F CA 0.695 58.550 58.000 -0.241 0.000 1.323 415 F CB -0.013 38.901 39.000 -0.144 0.000 1.028 415 F HN 0.088 nan 8.300 nan 0.000 0.492 416 K N 1.165 121.539 120.400 -0.044 0.000 2.026 416 K HA -0.202 4.118 4.320 -0.001 0.000 0.208 416 K C 2.241 178.746 176.600 -0.159 0.000 1.048 416 K CA 1.297 57.539 56.287 -0.075 0.000 0.929 416 K CB -0.310 32.163 32.500 -0.045 0.000 0.713 416 K HN 0.179 nan 8.250 nan 0.000 0.439 417 A N 0.847 123.491 122.820 -0.294 0.000 1.908 417 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 417 A C 2.259 179.566 177.584 -0.462 0.000 1.181 417 A CA 1.936 53.774 52.037 -0.332 0.000 0.627 417 A CB -0.805 17.834 19.000 -0.602 0.000 0.818 417 A HN 0.196 nan 8.150 nan 0.000 0.445 418 V N -0.090 119.430 119.914 -0.655 0.000 2.287 418 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 418 V C 3.054 178.954 176.094 -0.324 0.000 1.053 418 V CA 2.131 64.032 62.300 -0.664 0.000 1.027 418 V CB -1.485 30.080 31.823 -0.430 0.000 0.646 418 V HN 0.641 nan 8.190 nan 0.000 0.447 419 A N -0.331 122.356 122.820 -0.221 0.000 1.883 419 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 419 A C 2.166 179.687 177.584 -0.105 0.000 1.186 419 A CA 2.147 54.091 52.037 -0.154 0.000 0.624 419 A CB -0.629 18.297 19.000 -0.124 0.000 0.822 419 A HN 0.524 nan 8.150 nan 0.000 0.444 420 E N 0.102 120.249 120.200 -0.088 0.000 2.049 420 E HA -0.234 4.116 4.350 -0.001 0.000 0.198 420 E C 1.800 178.395 176.600 -0.009 0.000 1.007 420 E CA 1.606 57.988 56.400 -0.030 0.000 0.809 420 E CB -0.290 29.407 29.700 -0.006 0.000 0.749 420 E HN 0.605 nan 8.360 nan 0.000 0.450 421 D N -0.651 119.735 120.400 -0.024 0.000 2.092 421 D HA -0.137 4.502 4.640 -0.001 0.000 0.193 421 D C 1.963 178.274 176.300 0.018 0.000 0.994 421 D CA 1.663 55.679 54.000 0.027 0.000 0.828 421 D CB -0.283 40.551 40.800 0.058 0.000 0.963 421 D HN 0.115 nan 8.370 nan 0.000 0.450 422 V N 1.440 121.335 119.914 -0.031 0.000 2.282 422 V HA -0.276 3.843 4.120 -0.001 0.000 0.249 422 V C 2.747 178.868 176.094 0.044 0.000 1.057 422 V CA 2.114 64.403 62.300 -0.018 0.000 1.032 422 V CB -1.250 30.516 31.823 -0.094 0.000 0.645 422 V HN 0.349 nan 8.190 nan 0.000 0.447 423 A N -0.156 122.682 122.820 0.029 0.000 1.849 423 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 423 A C 2.188 179.843 177.584 0.118 0.000 1.202 423 A CA 2.066 54.158 52.037 0.092 0.000 0.629 423 A CB -0.710 18.318 19.000 0.048 0.000 0.834 423 A HN 0.556 nan 8.150 nan 0.000 0.447 424 Q N -0.156 119.685 119.800 0.069 0.000 2.096 424 Q HA -0.227 4.112 4.340 -0.001 0.000 0.208 424 Q C 2.137 178.171 176.000 0.056 0.000 0.993 424 Q CA 1.890 57.727 55.803 0.056 0.000 0.862 424 Q CB -0.616 28.152 28.738 0.050 0.000 0.915 424 Q HN 0.687 nan 8.270 nan 0.000 0.416 425 R N -0.454 120.089 120.500 0.071 0.000 2.092 425 R HA -0.126 4.213 4.340 -0.001 0.000 0.231 425 R C 2.246 178.596 176.300 0.085 0.000 1.119 425 R CA 1.135 57.276 56.100 0.067 0.000 0.970 425 R CB -0.614 29.729 30.300 0.071 0.000 0.864 425 R HN 0.328 nan 8.270 nan 0.000 0.440 426 Y N 1.598 121.897 120.300 -0.001 0.000 2.181 426 Y HA -0.157 4.392 4.550 -0.001 0.000 0.288 426 Y C 2.316 178.219 175.900 0.004 0.000 1.146 426 Y CA 1.296 59.397 58.100 0.001 0.000 1.164 426 Y CB -0.193 38.264 38.460 -0.004 0.000 0.982 426 Y HN -0.131 nan 8.280 nan 0.000 0.515 427 M N -0.176 119.329 119.600 -0.159 0.000 2.108 427 M HA -0.199 4.280 4.480 -0.001 0.000 0.261 427 M C 2.314 178.503 176.300 -0.185 0.000 1.066 427 M CA 2.302 57.471 55.300 -0.217 0.000 1.107 427 M CB -1.623 30.938 32.600 -0.064 0.000 1.356 427 M HN 0.529 nan 8.290 nan 0.000 0.406 428 T N -2.573 111.919 114.554 -0.103 0.000 2.995 428 T HA 0.110 4.459 4.350 -0.001 0.000 0.269 428 T C 1.458 176.103 174.700 -0.090 0.000 1.091 428 T CA 1.551 63.608 62.100 -0.072 0.000 1.128 428 T CB -0.181 68.670 68.868 -0.028 0.000 0.891 428 T HN 0.622 nan 8.240 nan 0.000 0.492 429 G N 0.659 109.382 108.800 -0.127 0.000 2.159 429 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.227 429 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.227 429 G C -0.175 174.713 174.900 -0.020 0.000 0.986 429 G CA 0.188 45.224 45.100 -0.107 0.000 0.651 429 G HN 0.932 nan 8.290 nan 0.000 0.523 430 Q N 1.044 120.846 119.800 0.003 0.000 2.314 430 Q HA 0.495 4.834 4.340 -0.001 0.000 0.258 430 Q C -2.317 173.717 176.000 0.057 0.000 0.954 430 Q CA -1.766 54.053 55.803 0.027 0.000 0.890 430 Q CB 1.130 29.883 28.738 0.026 0.000 1.210 430 Q HN 0.221 nan 8.270 nan 0.000 0.410 431 P HA 0.016 nan 4.420 nan 0.000 0.269 431 P C -1.349 175.985 177.300 0.055 0.000 1.209 431 P CA -0.089 63.049 63.100 0.063 0.000 0.776 431 P CB 0.783 32.511 31.700 0.046 0.000 0.876 432 V N 3.464 123.409 119.914 0.053 0.000 2.760 432 V HA 0.462 4.582 4.120 -0.001 0.000 0.309 432 V C -0.566 175.533 176.094 0.009 0.000 1.077 432 V CA -0.607 61.710 62.300 0.029 0.000 0.910 432 V CB 2.006 33.844 31.823 0.026 0.000 1.008 432 V HN 0.332 nan 8.190 nan 0.000 0.424 433 L N 5.437 126.658 121.223 -0.004 0.000 2.427 433 L HA 0.649 4.989 4.340 -0.001 0.000 0.264 433 L C -0.740 176.107 176.870 -0.039 0.000 0.989 433 L CA -0.096 54.735 54.840 -0.015 0.000 0.865 433 L CB 1.653 43.710 42.059 -0.004 0.000 1.209 433 L HN 0.464 nan 8.230 nan 0.000 0.430 434 V N 4.605 124.486 119.914 -0.056 0.000 2.427 434 V HA 0.547 4.666 4.120 -0.001 0.000 0.268 434 V C 1.158 177.209 176.094 -0.070 0.000 1.046 434 V CA -0.012 62.240 62.300 -0.079 0.000 0.970 434 V CB 0.628 32.388 31.823 -0.105 0.000 1.001 434 V HN 0.856 nan 8.190 nan 0.000 0.476 435 G N 3.095 111.843 108.800 -0.088 0.000 2.444 435 G HA2 0.530 4.489 3.960 -0.001 0.000 0.268 435 G HA3 0.530 4.489 3.960 -0.001 0.000 0.268 435 G C -0.297 174.582 174.900 -0.034 0.000 1.203 435 G CA -0.076 44.988 45.100 -0.060 0.000 0.835 435 G HN 0.654 nan 8.290 nan 0.000 0.543 436 T N -0.168 114.386 114.554 -0.001 0.000 2.838 436 T HA 0.418 4.768 4.350 -0.001 0.000 0.292 436 T C 0.572 175.307 174.700 0.057 0.000 1.113 436 T CA -0.353 61.764 62.100 0.028 0.000 1.008 436 T CB 1.954 70.819 68.868 -0.006 0.000 1.259 436 T HN 0.145 nan 8.240 nan 0.000 0.520 437 V N 0.413 120.379 119.914 0.087 0.000 3.307 437 V HA 0.583 4.702 4.120 -0.001 0.000 0.244 437 V C 0.665 176.811 176.094 0.086 0.000 1.196 437 V CA 0.643 63.009 62.300 0.109 0.000 1.132 437 V CB 0.631 32.568 31.823 0.189 0.000 0.875 437 V HN 0.911 nan 8.190 nan 0.000 0.468 438 A N 0.103 122.965 122.820 0.069 0.000 2.355 438 A HA 0.582 4.902 4.320 -0.001 0.000 0.317 438 A C 0.860 178.455 177.584 0.018 0.000 1.094 438 A CA 0.256 52.323 52.037 0.050 0.000 0.764 438 A CB 1.862 20.896 19.000 0.058 0.000 1.230 438 A HN 0.393 nan 8.150 nan 0.000 0.448 439 V N 0.563 120.483 119.914 0.011 0.000 2.469 439 V HA -0.227 3.892 4.120 -0.001 0.000 0.251 439 V C 1.635 177.715 176.094 -0.023 0.000 1.064 439 V CA 2.669 64.965 62.300 -0.008 0.000 1.066 439 V CB -1.238 30.581 31.823 -0.006 0.000 0.667 439 V HN 0.858 nan 8.190 nan 0.000 0.461 440 E N 1.232 121.423 120.200 -0.014 0.000 2.118 440 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 440 E C 2.288 178.851 176.600 -0.062 0.000 0.992 440 E CA 2.189 58.574 56.400 -0.025 0.000 0.804 440 E CB -0.960 28.737 29.700 -0.004 0.000 0.741 440 E HN 0.732 nan 8.360 nan 0.000 0.458 441 T N 0.135 114.652 114.554 -0.062 0.000 2.777 441 T HA -0.111 4.239 4.350 -0.001 0.000 0.266 441 T C 2.024 176.600 174.700 -0.206 0.000 1.040 441 T CA 1.296 63.307 62.100 -0.148 0.000 1.141 441 T CB -0.331 68.497 68.868 -0.067 0.000 0.868 441 T HN 0.087 nan 8.240 nan 0.000 0.444 442 S N 1.558 117.185 115.700 -0.121 0.000 2.365 442 S HA -0.164 4.305 4.470 -0.001 0.000 0.225 442 S C 2.080 176.605 174.600 -0.125 0.000 1.039 442 S CA 1.088 59.220 58.200 -0.113 0.000 1.033 442 S CB -0.369 62.796 63.200 -0.058 0.000 0.887 442 S HN 0.448 nan 8.310 nan 0.000 0.447 443 E N 1.052 121.191 120.200 -0.101 0.000 2.204 443 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 443 E C 2.014 178.537 176.600 -0.128 0.000 0.990 443 E CA 0.262 56.610 56.400 -0.086 0.000 0.821 443 E CB -0.514 29.149 29.700 -0.061 0.000 0.750 443 E HN 0.316 nan 8.360 nan 0.000 0.477 444 L N 0.995 122.098 121.223 -0.200 0.000 2.017 444 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 444 L C 1.940 178.633 176.870 -0.295 0.000 1.073 444 L CA 1.536 56.216 54.840 -0.266 0.000 0.745 444 L CB -0.634 41.166 42.059 -0.433 0.000 0.894 444 L HN 0.040 nan 8.230 nan 0.000 0.432 445 I N -0.746 119.611 120.570 -0.355 0.000 2.286 445 I HA -0.175 3.995 4.170 -0.001 0.000 0.245 445 I C 2.863 178.833 176.117 -0.245 0.000 1.104 445 I CA 1.181 62.291 61.300 -0.316 0.000 1.397 445 I CB -1.643 36.162 38.000 -0.325 0.000 1.072 445 I HN 0.245 nan 8.210 nan 0.000 0.417 446 S N 1.116 116.709 115.700 -0.179 0.000 2.365 446 S HA -0.224 4.246 4.470 -0.001 0.000 0.225 446 S C 2.030 176.610 174.600 -0.034 0.000 1.039 446 S CA 1.577 59.738 58.200 -0.066 0.000 1.033 446 S CB -0.084 63.178 63.200 0.103 0.000 0.887 446 S HN 0.398 nan 8.310 nan 0.000 0.447 447 K N 0.437 120.804 120.400 -0.054 0.000 2.103 447 K HA -0.058 4.261 4.320 -0.001 0.000 0.207 447 K C 2.119 178.683 176.600 -0.060 0.000 1.048 447 K CA 1.397 57.658 56.287 -0.043 0.000 0.930 447 K CB -0.380 32.088 32.500 -0.054 0.000 0.716 447 K HN 0.397 nan 8.250 nan 0.000 0.444 448 L N 0.791 121.952 121.223 -0.103 0.000 2.093 448 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 448 L C 2.203 179.004 176.870 -0.116 0.000 1.085 448 L CA 0.867 55.645 54.840 -0.104 0.000 0.755 448 L CB -0.243 41.740 42.059 -0.127 0.000 0.904 448 L HN 0.177 nan 8.230 nan 0.000 0.435 449 L N -0.741 120.375 121.223 -0.178 0.000 2.313 449 L HA -0.128 4.211 4.340 -0.001 0.000 0.214 449 L C 2.349 179.176 176.870 -0.072 0.000 1.119 449 L CA 0.888 55.598 54.840 -0.217 0.000 0.809 449 L CB -0.335 41.392 42.059 -0.554 0.000 0.933 449 L HN 0.214 nan 8.230 nan 0.000 0.449 450 K N -0.098 120.309 120.400 0.011 0.000 2.228 450 K HA -0.026 4.294 4.320 -0.001 0.000 0.202 450 K C 1.540 178.142 176.600 0.003 0.000 1.051 450 K CA 0.599 56.913 56.287 0.046 0.000 0.960 450 K CB -0.029 32.503 32.500 0.053 0.000 0.743 450 K HN 0.285 nan 8.250 nan 0.000 0.458 451 N N 1.129 119.820 118.700 -0.015 0.000 2.512 451 N HA -0.075 4.665 4.740 -0.001 0.000 0.183 451 N C 0.869 176.372 175.510 -0.013 0.000 1.073 451 N CA 0.918 53.959 53.050 -0.015 0.000 0.911 451 N CB 0.262 38.737 38.487 -0.021 0.000 0.964 451 N HN 0.216 nan 8.380 nan 0.000 0.447 452 K N -0.583 119.805 120.400 -0.020 0.000 2.358 452 K HA 0.161 4.481 4.320 -0.001 0.000 0.200 452 K C 0.714 177.315 176.600 0.002 0.000 1.030 452 K CA 0.178 56.459 56.287 -0.011 0.000 1.097 452 K CB 0.890 33.375 32.500 -0.026 0.000 0.862 452 K HN 0.073 nan 8.250 nan 0.000 0.534 453 G N 1.966 110.765 108.800 -0.002 0.000 2.148 453 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.254 453 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.254 453 G C 0.069 174.959 174.900 -0.017 0.000 0.981 453 G CA -0.223 44.881 45.100 0.007 0.000 0.670 453 G HN 0.145 nan 8.290 nan 0.000 0.528 454 I N 2.451 122.976 120.570 -0.074 0.000 2.379 454 I HA 0.247 4.417 4.170 -0.001 0.000 0.290 454 I C -1.581 174.471 176.117 -0.109 0.000 1.063 454 I CA -2.933 58.215 61.300 -0.253 0.000 1.351 454 I CB 0.258 38.047 38.000 -0.352 0.000 1.410 454 I HN -0.010 nan 8.210 nan 0.000 0.505 455 P HA 0.213 nan 4.420 nan 0.000 0.276 455 P C -0.714 176.557 177.300 -0.048 0.000 1.243 455 P CA 0.442 63.481 63.100 -0.102 0.000 0.768 455 P CB 0.829 32.480 31.700 -0.082 0.000 0.856 456 H N 1.049 120.029 119.070 -0.151 0.000 3.015 456 H HA 0.523 5.079 4.556 -0.001 0.000 0.282 456 H C -0.969 174.310 175.328 -0.082 0.000 1.508 456 H CA -0.873 55.102 56.048 -0.123 0.000 1.209 456 H CB 0.984 30.665 29.762 -0.136 0.000 1.869 456 H HN 0.306 nan 8.280 nan 0.000 0.591 457 Q N 0.460 120.275 119.800 0.024 0.000 2.423 457 Q HA 0.580 4.920 4.340 -0.001 0.000 0.278 457 Q C -1.016 175.002 176.000 0.030 0.000 1.097 457 Q CA -1.093 54.688 55.803 -0.037 0.000 0.809 457 Q CB 3.642 32.367 28.738 -0.021 0.000 1.391 457 Q HN 0.423 nan 8.270 nan 0.000 0.428 458 V N 2.452 122.362 119.914 -0.006 0.000 2.577 458 V HA 0.502 4.621 4.120 -0.001 0.000 0.303 458 V C -0.575 175.511 176.094 -0.013 0.000 1.042 458 V CA -0.667 61.638 62.300 0.009 0.000 0.872 458 V CB 1.833 33.661 31.823 0.009 0.000 0.998 458 V HN 0.532 nan 8.190 nan 0.000 0.423 459 L N 4.508 125.726 121.223 -0.008 0.000 2.322 459 L HA 0.659 4.999 4.340 -0.001 0.000 0.281 459 L C 0.206 177.071 176.870 -0.008 0.000 1.014 459 L CA -0.441 54.392 54.840 -0.011 0.000 0.815 459 L CB 1.663 43.721 42.059 -0.002 0.000 1.247 459 L HN 0.568 nan 8.230 nan 0.000 0.421 460 N N 2.746 121.437 118.700 -0.016 0.000 2.299 460 N HA 0.197 4.936 4.740 -0.001 0.000 0.246 460 N C 0.607 176.111 175.510 -0.011 0.000 1.254 460 N CA 0.414 53.457 53.050 -0.012 0.000 0.879 460 N CB 1.606 40.081 38.487 -0.020 0.000 1.214 460 N HN 0.789 nan 8.380 nan 0.000 0.510 461 A N 0.442 123.261 122.820 -0.001 0.000 2.832 461 A HA -0.302 4.018 4.320 -0.001 0.000 0.280 461 A C 1.352 178.844 177.584 -0.153 0.000 1.464 461 A CA 1.403 53.445 52.037 0.007 0.000 0.804 461 A CB -1.871 17.188 19.000 0.098 0.000 1.020 461 A HN 0.387 nan 8.150 nan 0.000 0.563 462 K N -0.355 119.951 120.400 -0.158 0.000 2.065 462 K HA 0.016 4.336 4.320 -0.001 0.000 0.211 462 K C 0.901 177.327 176.600 -0.290 0.000 1.025 462 K CA 0.896 57.074 56.287 -0.182 0.000 0.948 462 K CB 0.061 32.498 32.500 -0.105 0.000 0.798 462 K HN 0.676 nan 8.250 nan 0.000 0.450 463 N N 1.192 119.766 118.700 -0.210 0.000 2.500 463 N HA 0.008 4.747 4.740 -0.001 0.000 0.236 463 N C 0.661 176.054 175.510 -0.194 0.000 1.022 463 N CA -0.295 52.637 53.050 -0.196 0.000 0.935 463 N CB 0.535 38.955 38.487 -0.112 0.000 1.147 463 N HN 0.232 nan 8.380 nan 0.000 0.512 464 H N 2.076 121.086 119.070 -0.100 0.000 2.319 464 H HA -0.185 4.370 4.556 -0.001 0.000 0.299 464 H C 1.422 176.487 175.328 -0.438 0.000 1.092 464 H CA 1.440 57.375 56.048 -0.187 0.000 1.302 464 H CB 0.119 29.824 29.762 -0.095 0.000 1.373 464 H HN 0.737 nan 8.280 nan 0.000 0.497 465 E N 0.874 120.857 120.200 -0.361 0.000 2.072 465 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 465 E C 2.478 178.909 176.600 -0.281 0.000 0.985 465 E CA 0.424 56.487 56.400 -0.561 0.000 0.801 465 E CB 0.151 29.712 29.700 -0.232 0.000 0.750 465 E HN 0.213 nan 8.360 nan 0.000 0.452 466 R N 0.454 120.858 120.500 -0.160 0.000 2.096 466 R HA -0.168 4.171 4.340 -0.001 0.000 0.235 466 R C 1.936 178.178 176.300 -0.097 0.000 1.127 466 R CA 1.781 57.820 56.100 -0.102 0.000 0.968 466 R CB -0.015 30.238 30.300 -0.078 0.000 0.861 466 R HN 0.299 nan 8.270 nan 0.000 0.440 467 E N -0.316 119.820 120.200 -0.107 0.000 2.072 467 E HA -0.105 4.244 4.350 -0.001 0.000 0.190 467 E C 1.999 178.554 176.600 -0.076 0.000 0.982 467 E CA 0.821 57.179 56.400 -0.070 0.000 0.803 467 E CB -0.085 29.594 29.700 -0.035 0.000 0.755 467 E HN 0.383 nan 8.360 nan 0.000 0.453 468 A N 1.745 124.474 122.820 -0.152 0.000 1.892 468 A HA -0.317 4.003 4.320 -0.001 0.000 0.218 468 A C 2.109 179.666 177.584 -0.046 0.000 1.188 468 A CA 1.764 53.728 52.037 -0.120 0.000 0.631 468 A CB -0.621 18.193 19.000 -0.310 0.000 0.822 468 A HN 0.206 nan 8.150 nan 0.000 0.447 469 Q N -0.670 119.094 119.800 -0.061 0.000 2.061 469 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 469 Q C 2.150 178.144 176.000 -0.011 0.000 0.984 469 Q CA 1.490 57.282 55.803 -0.018 0.000 0.846 469 Q CB -0.359 28.366 28.738 -0.022 0.000 0.902 469 Q HN 0.663 nan 8.270 nan 0.000 0.421 470 I N 0.890 121.447 120.570 -0.022 0.000 2.091 470 I HA -0.309 3.860 4.170 -0.001 0.000 0.239 470 I C 2.397 178.513 176.117 -0.001 0.000 1.061 470 I CA 1.315 62.607 61.300 -0.014 0.000 1.317 470 I CB -0.853 37.134 38.000 -0.021 0.000 1.031 470 I HN 0.300 nan 8.210 nan 0.000 0.401 471 I N 0.876 121.446 120.570 0.000 0.000 2.151 471 I HA -0.330 3.840 4.170 -0.001 0.000 0.243 471 I C 2.530 178.658 176.117 0.019 0.000 1.080 471 I CA 1.591 62.898 61.300 0.012 0.000 1.339 471 I CB -1.204 36.805 38.000 0.016 0.000 1.039 471 I HN 0.387 nan 8.210 nan 0.000 0.409 472 E N 0.449 120.662 120.200 0.022 0.000 2.339 472 E HA -0.230 4.119 4.350 -0.001 0.000 0.201 472 E C 0.902 177.516 176.600 0.024 0.000 1.015 472 E CA 1.092 57.509 56.400 0.028 0.000 0.841 472 E CB 0.172 29.892 29.700 0.033 0.000 0.754 472 E HN 0.395 nan 8.360 nan 0.000 0.508 473 E N -1.334 118.878 120.200 0.020 0.000 2.585 473 E HA 0.147 4.497 4.350 -0.001 0.000 0.206 473 E C 0.237 176.851 176.600 0.024 0.000 1.007 473 E CA 0.196 56.608 56.400 0.021 0.000 1.028 473 E CB 1.318 31.028 29.700 0.017 0.000 1.087 473 E HN 0.262 nan 8.360 nan 0.000 0.455 474 A N 0.064 122.898 122.820 0.024 0.000 2.275 474 A HA 0.235 4.554 4.320 -0.001 0.000 0.212 474 A C 1.882 179.484 177.584 0.030 0.000 1.201 474 A CA 0.717 52.770 52.037 0.027 0.000 0.843 474 A CB 0.122 19.135 19.000 0.022 0.000 0.873 474 A HN 0.223 nan 8.150 nan 0.000 0.492 475 G N -1.215 107.602 108.800 0.029 0.000 2.887 475 G HA2 0.157 4.117 3.960 -0.001 0.000 0.211 475 G HA3 0.157 4.117 3.960 -0.001 0.000 0.211 475 G C 0.562 175.480 174.900 0.030 0.000 1.152 475 G CA -0.169 44.949 45.100 0.029 0.000 0.769 475 G HN 0.372 nan 8.290 nan 0.000 0.541 476 Q N 0.765 120.584 119.800 0.032 0.000 2.373 476 Q HA 0.151 4.490 4.340 -0.001 0.000 0.255 476 Q C 0.123 176.147 176.000 0.040 0.000 0.980 476 Q CA -0.142 55.680 55.803 0.032 0.000 0.882 476 Q CB 1.304 30.061 28.738 0.031 0.000 1.249 476 Q HN 0.270 nan 8.270 nan 0.000 0.438 477 K N -0.020 120.400 120.400 0.033 0.000 2.489 477 K HA 0.057 4.377 4.320 -0.001 0.000 0.278 477 K C 0.823 177.458 176.600 0.057 0.000 1.000 477 K CA 1.148 57.454 56.287 0.032 0.000 1.012 477 K CB -0.056 32.452 32.500 0.012 0.000 0.903 477 K HN 0.814 nan 8.250 nan 0.000 0.485 478 G N 1.920 110.769 108.800 0.081 0.000 2.267 478 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.257 478 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.257 478 G C 0.176 175.240 174.900 0.274 0.000 0.998 478 G CA 0.192 45.408 45.100 0.192 0.000 0.620 478 G HN 0.956 nan 8.290 nan 0.000 0.529 479 A N -0.270 122.638 122.820 0.146 0.000 2.498 479 A HA 0.600 4.919 4.320 -0.001 0.000 0.239 479 A C 0.204 177.841 177.584 0.089 0.000 1.068 479 A CA 0.907 53.003 52.037 0.099 0.000 0.766 479 A CB 0.885 19.923 19.000 0.062 0.000 1.003 479 A HN 1.278 nan 8.150 nan 0.000 0.497 480 V N 2.768 122.710 119.914 0.046 0.000 2.524 480 V HA 0.480 4.599 4.120 -0.001 0.000 0.297 480 V C -0.293 175.818 176.094 0.028 0.000 1.035 480 V CA -0.358 61.950 62.300 0.014 0.000 0.867 480 V CB 1.977 33.762 31.823 -0.063 0.000 1.004 480 V HN 0.958 nan 8.190 nan 0.000 0.426 481 T N 6.093 120.653 114.554 0.010 0.000 2.840 481 T HA 0.599 4.949 4.350 -0.001 0.000 0.287 481 T C -0.311 174.384 174.700 -0.010 0.000 0.991 481 T CA -0.215 61.893 62.100 0.014 0.000 0.964 481 T CB 1.260 70.135 68.868 0.011 0.000 0.954 481 T HN 0.402 nan 8.240 nan 0.000 0.438 482 I N 3.224 123.793 120.570 -0.002 0.000 2.291 482 I HA 0.536 4.706 4.170 -0.001 0.000 0.290 482 I C 0.371 176.479 176.117 -0.014 0.000 1.050 482 I CA -0.615 60.667 61.300 -0.029 0.000 1.245 482 I CB 0.651 38.628 38.000 -0.037 0.000 1.405 482 I HN 0.630 nan 8.210 nan 0.000 0.478 483 A N 4.608 127.418 122.820 -0.016 0.000 2.318 483 A HA 0.630 4.949 4.320 -0.001 0.000 0.324 483 A C -0.015 177.568 177.584 -0.003 0.000 1.170 483 A CA -0.459 51.576 52.037 -0.005 0.000 0.810 483 A CB 0.889 19.890 19.000 0.002 0.000 1.198 483 A HN 0.570 nan 8.150 nan 0.000 0.484 484 T N 2.723 117.279 114.554 0.004 0.000 2.761 484 T HA 0.071 4.421 4.350 -0.001 0.000 0.296 484 T C 1.744 176.454 174.700 0.017 0.000 0.934 484 T CA 0.144 62.250 62.100 0.011 0.000 1.091 484 T CB 0.286 69.162 68.868 0.013 0.000 0.896 484 T HN 0.871 nan 8.240 nan 0.000 0.515 485 N N 3.306 122.014 118.700 0.014 0.000 2.259 485 N HA -0.294 4.445 4.740 -0.001 0.000 0.173 485 N C 1.195 176.708 175.510 0.006 0.000 0.764 485 N CA 1.790 54.840 53.050 -0.001 0.000 0.912 485 N CB -0.073 38.394 38.487 -0.032 0.000 1.003 485 N HN 0.496 nan 8.380 nan 0.000 1.021 486 M N -0.094 119.521 119.600 0.025 0.000 2.561 486 M HA 0.208 4.687 4.480 -0.001 0.000 0.238 486 M C 0.567 176.913 176.300 0.076 0.000 1.131 486 M CA 0.079 55.408 55.300 0.049 0.000 1.046 486 M CB -0.186 32.457 32.600 0.071 0.000 1.532 486 M HN 0.159 nan 8.290 nan 0.000 0.497 487 A N -0.338 122.518 122.820 0.060 0.000 2.304 487 A HA 0.608 4.928 4.320 -0.001 0.000 0.301 487 A C 1.329 178.944 177.584 0.052 0.000 1.132 487 A CA 0.348 52.428 52.037 0.071 0.000 0.819 487 A CB 0.276 19.302 19.000 0.043 0.000 1.094 487 A HN 0.704 nan 8.150 nan 0.000 0.492 488 G N 0.928 109.763 108.800 0.058 0.000 2.220 488 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.269 488 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.269 488 G C 0.528 175.449 174.900 0.035 0.000 0.977 488 G CA 0.617 45.739 45.100 0.037 0.000 0.634 488 G HN 0.932 nan 8.290 nan 0.000 0.539 489 R N 0.177 120.693 120.500 0.027 0.000 2.485 489 R HA 0.324 4.664 4.340 -0.001 0.000 0.304 489 R C 1.575 177.891 176.300 0.027 0.000 0.934 489 R CA 1.417 57.526 56.100 0.016 0.000 1.102 489 R CB -0.158 30.141 30.300 -0.002 0.000 0.906 489 R HN 1.423 nan 8.270 nan 0.000 0.407 490 G N 2.281 111.100 108.800 0.031 0.000 2.176 490 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.232 490 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.232 490 G C 0.050 174.989 174.900 0.064 0.000 0.986 490 G CA 0.001 45.126 45.100 0.042 0.000 0.643 490 G HN 0.565 nan 8.290 nan 0.000 0.522 491 T N 1.359 115.953 114.554 0.067 0.000 2.770 491 T HA 0.504 4.853 4.350 -0.001 0.000 0.283 491 T C -0.752 173.978 174.700 0.049 0.000 0.988 491 T CA -0.383 61.760 62.100 0.073 0.000 0.957 491 T CB 1.650 70.569 68.868 0.084 0.000 0.930 491 T HN 0.159 nan 8.240 nan 0.000 0.443 492 D N 2.542 122.969 120.400 0.045 0.000 2.383 492 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 492 D C 0.029 176.351 176.300 0.036 0.000 1.166 492 D CA 0.018 54.041 54.000 0.038 0.000 0.879 492 D CB 0.519 41.341 40.800 0.037 0.000 1.164 492 D HN 0.429 nan 8.370 nan 0.000 0.462 493 I N 3.980 124.569 120.570 0.033 0.000 2.269 493 I HA 0.113 4.282 4.170 -0.001 0.000 0.293 493 I C 0.646 176.781 176.117 0.030 0.000 1.106 493 I CA -0.437 60.881 61.300 0.030 0.000 1.248 493 I CB 0.229 38.246 38.000 0.028 0.000 1.444 493 I HN 0.037 nan 8.210 nan 0.000 0.497 494 K N 6.064 126.482 120.400 0.030 0.000 2.118 494 K HA 0.529 4.849 4.320 -0.001 0.000 0.264 494 K C -0.478 176.138 176.600 0.027 0.000 1.000 494 K CA -0.681 55.623 56.287 0.029 0.000 0.929 494 K CB 1.356 33.874 32.500 0.030 0.000 1.021 494 K HN 0.438 nan 8.250 nan 0.000 0.463 495 L N 1.508 122.746 121.223 0.025 0.000 2.371 495 L HA 0.218 4.557 4.340 -0.001 0.000 0.272 495 L C 1.061 177.944 176.870 0.022 0.000 1.124 495 L CA -0.458 54.396 54.840 0.023 0.000 0.816 495 L CB 0.642 42.713 42.059 0.021 0.000 1.129 495 L HN 0.734 nan 8.230 nan 0.000 0.448 496 G N 0.871 109.684 108.800 0.021 0.000 2.616 496 G HA2 0.197 4.157 3.960 -0.001 0.000 0.268 496 G HA3 0.197 4.157 3.960 -0.001 0.000 0.268 496 G C -0.413 174.497 174.900 0.016 0.000 1.213 496 G CA -0.423 44.689 45.100 0.019 0.000 0.926 496 G HN 0.598 nan 8.290 nan 0.000 0.523 497 E N -0.588 119.620 120.200 0.014 0.000 2.417 497 E HA 0.398 4.747 4.350 -0.001 0.000 0.261 497 E C 1.187 177.792 176.600 0.009 0.000 1.000 497 E CA 1.366 57.772 56.400 0.011 0.000 0.919 497 E CB 0.271 29.977 29.700 0.010 0.000 0.955 497 E HN 1.187 nan 8.360 nan 0.000 0.455 498 G N 2.578 111.383 108.800 0.008 0.000 2.141 498 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.242 498 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.242 498 G C 0.789 175.692 174.900 0.006 0.000 0.982 498 G CA 0.276 45.379 45.100 0.005 0.000 0.662 498 G HN 0.444 nan 8.290 nan 0.000 0.527 499 V N 1.983 121.903 119.914 0.010 0.000 2.500 499 V HA -0.015 4.105 4.120 -0.001 0.000 0.243 499 V C 2.877 178.978 176.094 0.012 0.000 1.039 499 V CA 2.302 64.610 62.300 0.012 0.000 1.053 499 V CB -0.058 31.775 31.823 0.017 0.000 0.695 499 V HN 0.666 nan 8.190 nan 0.000 0.463 500 K N 0.810 121.217 120.400 0.012 0.000 2.097 500 K HA -0.232 4.088 4.320 -0.001 0.000 0.206 500 K C 1.694 178.299 176.600 0.009 0.000 1.049 500 K CA 1.914 58.207 56.287 0.011 0.000 0.933 500 K CB -0.498 32.008 32.500 0.010 0.000 0.717 500 K HN 0.359 nan 8.250 nan 0.000 0.442 501 E N 1.110 121.314 120.200 0.007 0.000 2.333 501 E HA -0.071 4.279 4.350 -0.001 0.000 0.200 501 E C 1.739 178.341 176.600 0.005 0.000 1.010 501 E CA 0.824 57.227 56.400 0.005 0.000 0.841 501 E CB -0.194 29.508 29.700 0.003 0.000 0.757 501 E HN 0.337 nan 8.360 nan 0.000 0.508 502 L N -1.814 119.413 121.223 0.006 0.000 2.616 502 L HA 0.266 4.606 4.340 -0.001 0.000 0.229 502 L C 1.166 178.042 176.870 0.011 0.000 1.110 502 L CA 0.379 55.223 54.840 0.006 0.000 0.884 502 L CB 0.521 42.582 42.059 0.004 0.000 1.115 502 L HN 0.347 nan 8.230 nan 0.000 0.481 503 G N -1.134 107.674 108.800 0.013 0.000 2.205 503 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.180 503 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.180 503 G C 0.652 175.563 174.900 0.019 0.000 1.004 503 G CA -0.283 44.827 45.100 0.017 0.000 0.670 503 G HN 0.668 nan 8.290 nan 0.000 0.496 504 G N -0.748 108.063 108.800 0.019 0.000 2.645 504 G HA2 0.134 4.093 3.960 -0.001 0.000 0.239 504 G HA3 0.134 4.093 3.960 -0.001 0.000 0.239 504 G C -0.068 174.847 174.900 0.025 0.000 1.331 504 G CA 0.158 45.271 45.100 0.021 0.000 0.890 504 G HN 1.733 nan 8.290 nan 0.000 0.572 505 L N 1.155 122.394 121.223 0.026 0.000 2.319 505 L HA 0.705 5.045 4.340 -0.001 0.000 0.280 505 L C 0.935 177.823 176.870 0.030 0.000 1.099 505 L CA 0.415 55.272 54.840 0.028 0.000 0.828 505 L CB 0.592 42.667 42.059 0.027 0.000 1.150 505 L HN 1.713 nan 8.230 nan 0.000 0.442 506 A N 5.872 128.711 122.820 0.032 0.000 2.252 506 A HA 0.620 4.939 4.320 -0.001 0.000 0.309 506 A C -0.641 176.957 177.584 0.024 0.000 1.285 506 A CA -0.528 51.530 52.037 0.034 0.000 0.900 506 A CB 0.350 19.375 19.000 0.042 0.000 1.157 506 A HN 0.544 nan 8.150 nan 0.000 0.536 507 V N 3.620 123.545 119.914 0.019 0.000 2.439 507 V HA 0.392 4.511 4.120 -0.001 0.000 0.282 507 V C -0.214 175.861 176.094 -0.033 0.000 1.039 507 V CA -0.309 61.984 62.300 -0.011 0.000 0.913 507 V CB 1.545 33.366 31.823 -0.004 0.000 0.983 507 V HN 0.593 nan 8.190 nan 0.000 0.460 508 V N 4.146 124.018 119.914 -0.070 0.000 2.376 508 V HA 0.620 4.739 4.120 -0.001 0.000 0.287 508 V C 0.609 176.571 176.094 -0.219 0.000 1.015 508 V CA -0.467 61.797 62.300 -0.060 0.000 0.834 508 V CB 1.575 33.399 31.823 0.002 0.000 1.001 508 V HN 0.944 nan 8.190 nan 0.000 0.428 509 G N 2.070 110.561 108.800 -0.516 0.000 2.356 509 G HA2 0.470 4.430 3.960 -0.001 0.000 0.298 509 G HA3 0.470 4.430 3.960 -0.001 0.000 0.298 509 G C 0.814 175.596 174.900 -0.197 0.000 1.145 509 G CA 0.369 44.981 45.100 -0.812 0.000 0.850 509 G HN 0.791 nan 8.290 nan 0.000 0.487 510 T N -1.149 113.398 114.554 -0.011 0.000 3.044 510 T HA 0.317 4.667 4.350 -0.001 0.000 0.250 510 T C 0.445 175.291 174.700 0.244 0.000 1.081 510 T CA 0.209 62.416 62.100 0.177 0.000 1.040 510 T CB 0.108 69.114 68.868 0.231 0.000 0.962 510 T HN 0.591 nan 8.240 nan 0.000 0.506 511 E N 0.053 120.424 120.200 0.284 0.000 2.401 511 E HA 0.437 4.787 4.350 -0.001 0.000 0.280 511 E C -1.313 175.535 176.600 0.412 0.000 1.039 511 E CA -1.112 55.470 56.400 0.303 0.000 0.814 511 E CB 1.377 31.216 29.700 0.232 0.000 1.275 511 E HN -0.062 nan 8.360 nan 0.000 0.448 512 R N 1.369 122.036 120.500 0.279 0.000 2.297 512 R HA 0.328 4.667 4.340 -0.001 0.000 0.308 512 R C -0.335 176.075 176.300 0.183 0.000 1.029 512 R CA -0.569 55.634 56.100 0.173 0.000 0.929 512 R CB 0.732 31.042 30.300 0.017 0.000 1.046 512 R HN 0.566 nan 8.270 nan 0.000 0.461 513 H N 1.232 120.359 119.070 0.094 0.000 2.534 513 H HA 0.049 4.604 4.556 -0.001 0.000 0.364 513 H C 1.020 176.376 175.328 0.046 0.000 1.328 513 H CA 0.128 56.224 56.048 0.080 0.000 1.415 513 H CB 0.983 30.797 29.762 0.086 0.000 1.573 513 H HN 0.484 nan 8.280 nan 0.000 0.601 514 E N 0.261 120.057 120.200 -0.674 0.000 2.267 514 E HA -0.120 4.230 4.350 -0.001 0.000 0.197 514 E C -0.056 176.482 176.600 -0.104 0.000 0.998 514 E CA 1.041 57.227 56.400 -0.357 0.000 0.830 514 E CB 0.052 29.492 29.700 -0.433 0.000 0.751 514 E HN 0.317 nan 8.360 nan 0.000 0.491 515 S N -0.764 114.980 115.700 0.073 0.000 2.561 515 S HA 0.314 4.784 4.470 -0.001 0.000 0.303 515 S C 0.514 175.181 174.600 0.111 0.000 1.110 515 S CA -0.753 57.516 58.200 0.114 0.000 1.034 515 S CB 1.357 64.653 63.200 0.161 0.000 1.010 515 S HN -0.048 nan 8.310 nan 0.000 0.482 516 R N 2.607 123.120 120.500 0.022 0.000 2.170 516 R HA -0.070 4.270 4.340 -0.001 0.000 0.242 516 R C 2.237 178.543 176.300 0.010 0.000 1.145 516 R CA 1.535 57.627 56.100 -0.013 0.000 0.984 516 R CB -0.174 30.094 30.300 -0.054 0.000 0.869 516 R HN 0.636 nan 8.270 nan 0.000 0.455 517 R N 0.330 120.848 120.500 0.030 0.000 2.096 517 R HA -0.172 4.168 4.340 -0.001 0.000 0.240 517 R C 2.164 178.487 176.300 0.039 0.000 1.139 517 R CA 1.486 57.604 56.100 0.031 0.000 0.952 517 R CB -0.420 29.903 30.300 0.039 0.000 0.854 517 R HN 0.176 nan 8.270 nan 0.000 0.436 518 I N 1.492 122.093 120.570 0.052 0.000 2.208 518 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 518 I C 1.590 177.757 176.117 0.083 0.000 1.097 518 I CA 1.558 62.867 61.300 0.014 0.000 1.363 518 I CB -1.201 36.724 38.000 -0.125 0.000 1.051 518 I HN 0.128 nan 8.210 nan 0.000 0.413 519 D N 0.910 121.373 120.400 0.106 0.000 2.144 519 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 519 D C 1.863 178.259 176.300 0.160 0.000 0.984 519 D CA 0.900 54.994 54.000 0.157 0.000 0.834 519 D CB -0.389 40.312 40.800 -0.165 0.000 0.955 519 D HN 0.318 nan 8.370 nan 0.000 0.465 520 N N 0.617 119.355 118.700 0.064 0.000 2.331 520 N HA -0.086 4.654 4.740 -0.001 0.000 0.180 520 N C 1.718 177.272 175.510 0.073 0.000 1.019 520 N CA 0.467 53.553 53.050 0.059 0.000 0.881 520 N CB -0.074 38.425 38.487 0.020 0.000 0.972 520 N HN 0.395 nan 8.380 nan 0.000 0.435 521 Q N 0.136 119.977 119.800 0.068 0.000 2.123 521 Q HA -0.030 4.310 4.340 -0.001 0.000 0.199 521 Q C 1.936 177.979 176.000 0.071 0.000 0.966 521 Q CA 0.656 56.491 55.803 0.053 0.000 0.845 521 Q CB -0.033 28.724 28.738 0.032 0.000 0.907 521 Q HN 0.177 nan 8.270 nan 0.000 0.439 522 L N 0.767 122.057 121.223 0.112 0.000 2.056 522 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 522 L C 2.109 179.047 176.870 0.113 0.000 1.078 522 L CA 1.657 56.563 54.840 0.110 0.000 0.749 522 L CB -0.216 41.936 42.059 0.154 0.000 0.901 522 L HN 0.009 nan 8.230 nan 0.000 0.433 523 R N -0.543 120.062 120.500 0.175 0.000 2.080 523 R HA -0.125 4.214 4.340 -0.001 0.000 0.236 523 R C 2.147 178.499 176.300 0.087 0.000 1.137 523 R CA 1.321 57.513 56.100 0.154 0.000 0.943 523 R CB -1.149 29.250 30.300 0.165 0.000 0.846 523 R HN 0.569 nan 8.270 nan 0.000 0.431 524 G N 1.224 110.066 108.800 0.070 0.000 2.516 524 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.221 524 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.221 524 G C 1.175 176.098 174.900 0.039 0.000 1.107 524 G CA 0.416 45.544 45.100 0.046 0.000 0.747 524 G HN 0.337 nan 8.290 nan 0.000 0.567 525 R N -0.019 120.506 120.500 0.041 0.000 2.237 525 R HA 0.080 4.419 4.340 -0.001 0.000 0.219 525 R C 1.016 177.335 176.300 0.031 0.000 1.080 525 R CA 0.571 56.691 56.100 0.033 0.000 0.995 525 R CB -0.139 30.179 30.300 0.029 0.000 0.875 525 R HN 0.317 nan 8.270 nan 0.000 0.462 526 S N -1.048 114.672 115.700 0.034 0.000 2.621 526 S HA 0.492 4.961 4.470 -0.001 0.000 0.302 526 S C 0.418 175.036 174.600 0.029 0.000 1.093 526 S CA 0.105 58.323 58.200 0.032 0.000 1.017 526 S CB 1.728 64.948 63.200 0.034 0.000 1.077 526 S HN 0.449 nan 8.310 nan 0.000 0.517 527 G N 3.407 112.221 108.800 0.024 0.000 2.198 527 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.257 527 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.257 527 G C 0.735 175.644 174.900 0.015 0.000 1.042 527 G CA 0.598 45.709 45.100 0.018 0.000 0.791 527 G HN 0.730 nan 8.290 nan 0.000 0.502 528 R N -0.951 119.560 120.500 0.018 0.000 2.581 528 R HA -0.175 4.165 4.340 -0.001 0.000 0.185 528 R C 2.387 178.694 176.300 0.013 0.000 0.856 528 R CA 1.971 58.083 56.100 0.020 0.000 0.824 528 R CB -0.472 29.843 30.300 0.026 0.000 0.653 528 R HN 0.415 nan 8.270 nan 0.000 0.474 529 Q N -1.284 118.523 119.800 0.012 0.000 2.123 529 Q HA -0.019 4.320 4.340 -0.001 0.000 0.199 529 Q C 1.461 177.445 176.000 -0.027 0.000 0.966 529 Q CA 1.814 57.613 55.803 -0.008 0.000 0.845 529 Q CB 0.472 29.208 28.738 -0.002 0.000 0.907 529 Q HN 0.787 nan 8.270 nan 0.000 0.439 530 G N -0.477 108.314 108.800 -0.015 0.000 4.211 530 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.192 530 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.192 530 G C -0.558 174.338 174.900 -0.007 0.000 0.951 530 G CA -0.513 44.576 45.100 -0.019 0.000 0.804 530 G HN 0.086 nan 8.290 nan 0.000 0.489 531 D N 2.191 122.592 120.400 0.001 0.000 2.474 531 D HA 0.238 4.878 4.640 -0.001 0.000 0.232 531 D C -1.955 174.351 176.300 0.009 0.000 1.177 531 D CA -0.251 53.754 54.000 0.007 0.000 0.876 531 D CB 0.997 41.805 40.800 0.013 0.000 1.208 531 D HN 0.117 nan 8.370 nan 0.000 0.464 532 P HA 0.428 nan 4.420 nan 0.000 0.274 532 P C -0.260 177.050 177.300 0.017 0.000 1.260 532 P CA -0.330 62.777 63.100 0.012 0.000 0.793 532 P CB 0.704 32.411 31.700 0.012 0.000 1.048 533 G N -0.930 107.882 108.800 0.020 0.000 2.343 533 G HA2 0.362 4.321 3.960 -0.001 0.000 0.298 533 G HA3 0.362 4.321 3.960 -0.001 0.000 0.298 533 G C -2.119 172.799 174.900 0.030 0.000 1.644 533 G CA -0.549 44.567 45.100 0.026 0.000 0.958 533 G HN 0.633 nan 8.290 nan 0.000 0.702 534 I N 0.801 121.392 120.570 0.035 0.000 2.689 534 I HA 0.893 5.063 4.170 -0.001 0.000 0.299 534 I C 0.074 176.221 176.117 0.050 0.000 1.059 534 I CA -0.648 60.677 61.300 0.041 0.000 1.055 534 I CB 2.543 40.567 38.000 0.041 0.000 1.243 534 I HN 0.929 nan 8.210 nan 0.000 0.425 535 T N 2.803 117.396 114.554 0.065 0.000 2.893 535 T HA 0.677 5.026 4.350 -0.001 0.000 0.293 535 T C -0.959 173.801 174.700 0.101 0.000 1.027 535 T CA -0.620 61.530 62.100 0.084 0.000 0.988 535 T CB 1.805 70.755 68.868 0.137 0.000 1.043 535 T HN 0.613 nan 8.240 nan 0.000 0.461 536 Q N 1.728 121.575 119.800 0.079 0.000 2.281 536 Q HA 0.604 4.944 4.340 -0.001 0.000 0.263 536 Q C -2.394 173.626 176.000 0.033 0.000 0.989 536 Q CA -0.607 55.236 55.803 0.066 0.000 0.852 536 Q CB 1.419 30.161 28.738 0.006 0.000 1.337 536 Q HN 0.712 nan 8.270 nan 0.000 0.418 537 F N 3.262 123.188 119.950 -0.041 0.000 2.436 537 F HA 0.515 5.042 4.527 -0.001 0.000 0.340 537 F C -0.693 175.079 175.800 -0.047 0.000 1.113 537 F CA -0.314 57.710 58.000 0.040 0.000 1.022 537 F CB 1.141 40.167 39.000 0.044 0.000 1.128 537 F HN 0.492 nan 8.300 nan 0.000 0.466 538 Y N 4.150 124.557 120.300 0.179 0.000 2.360 538 Y HA 0.720 5.270 4.550 -0.001 0.000 0.337 538 Y C -0.282 175.703 175.900 0.142 0.000 1.039 538 Y CA -0.807 57.385 58.100 0.154 0.000 1.109 538 Y CB 1.266 39.740 38.460 0.022 0.000 1.201 538 Y HN 0.291 nan 8.280 nan 0.000 0.458 539 L N 1.980 123.371 121.223 0.280 0.000 2.409 539 L HA 0.794 5.134 4.340 -0.001 0.000 0.255 539 L C -0.638 176.325 176.870 0.155 0.000 1.027 539 L CA -1.062 53.881 54.840 0.172 0.000 0.834 539 L CB 2.363 44.508 42.059 0.143 0.000 1.426 539 L HN 0.599 nan 8.230 nan 0.000 0.411 540 S N -0.576 115.165 115.700 0.069 0.000 2.632 540 S HA 0.564 5.034 4.470 -0.001 0.000 0.289 540 S C 0.408 175.035 174.600 0.044 0.000 1.115 540 S CA -0.900 57.338 58.200 0.063 0.000 0.889 540 S CB 1.888 65.074 63.200 -0.023 0.000 1.116 540 S HN 0.705 nan 8.310 nan 0.000 0.486 541 M N 0.909 120.536 119.600 0.045 0.000 2.358 541 M HA -0.032 4.447 4.480 -0.001 0.000 0.264 541 M C 1.455 177.771 176.300 0.026 0.000 1.064 541 M CA 1.425 56.746 55.300 0.036 0.000 1.093 541 M CB -0.620 32.001 32.600 0.035 0.000 1.401 541 M HN 0.764 nan 8.290 nan 0.000 0.440 542 E N 0.310 120.520 120.200 0.016 0.000 2.481 542 E HA -0.026 4.324 4.350 -0.001 0.000 0.195 542 E C -0.151 176.458 176.600 0.014 0.000 1.047 542 E CA -0.089 56.318 56.400 0.011 0.000 0.867 542 E CB 0.062 29.763 29.700 0.001 0.000 0.858 542 E HN 0.452 nan 8.360 nan 0.000 0.513 543 D N 1.403 121.812 120.400 0.016 0.000 2.390 543 D HA -0.058 4.582 4.640 -0.001 0.000 0.236 543 D C 1.272 177.595 176.300 0.039 0.000 1.189 543 D CA 0.162 54.182 54.000 0.032 0.000 0.887 543 D CB 0.613 41.440 40.800 0.045 0.000 1.198 543 D HN -0.088 nan 8.370 nan 0.000 0.444 544 E N 0.288 120.515 120.200 0.045 0.000 2.118 544 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 544 E C 1.840 178.465 176.600 0.041 0.000 0.992 544 E CA 0.517 56.940 56.400 0.038 0.000 0.804 544 E CB -0.127 29.594 29.700 0.036 0.000 0.741 544 E HN 0.324 nan 8.360 nan 0.000 0.458 545 L N -0.153 121.099 121.223 0.048 0.000 2.156 545 L HA -0.001 4.339 4.340 -0.001 0.000 0.208 545 L C 1.965 178.875 176.870 0.066 0.000 1.095 545 L CA 1.270 56.146 54.840 0.059 0.000 0.770 545 L CB -0.303 41.784 42.059 0.046 0.000 0.914 545 L HN -0.011 nan 8.230 nan 0.000 0.439 546 M N -0.556 119.075 119.600 0.052 0.000 2.686 546 M HA 0.017 4.496 4.480 -0.001 0.000 0.246 546 M C 1.583 177.909 176.300 0.044 0.000 1.096 546 M CA 1.118 56.446 55.300 0.048 0.000 1.076 546 M CB -0.465 32.159 32.600 0.040 0.000 1.504 546 M HN 0.163 nan 8.290 nan 0.000 0.524 547 R N -1.628 118.897 120.500 0.041 0.000 2.437 547 R HA 0.206 4.545 4.340 -0.001 0.000 0.257 547 R C 1.136 177.443 176.300 0.011 0.000 0.927 547 R CA -0.271 55.843 56.100 0.023 0.000 1.078 547 R CB 0.666 30.973 30.300 0.012 0.000 1.161 547 R HN 0.165 nan 8.270 nan 0.000 0.529 548 R N 0.687 121.220 120.500 0.054 0.000 0.907 548 R HA 0.086 4.426 4.340 -0.001 0.000 0.051 548 R C 1.331 177.643 176.300 0.020 0.000 0.449 548 R CA 0.563 56.697 56.100 0.057 0.000 2.146 548 R CB -0.630 29.869 30.300 0.330 0.000 0.497 548 R HN -0.118 nan 8.270 nan 0.000 0.796 549 F N 0.078 120.024 119.950 -0.007 0.000 1.986 549 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 549 F C 2.584 178.380 175.800 -0.007 0.000 1.365 549 F CA 1.507 59.503 58.000 -0.007 0.000 1.170 549 F CB -1.522 37.473 39.000 -0.008 0.000 0.939 549 F HN 0.508 nan 8.300 nan 0.000 0.511 550 G N -0.667 108.289 108.800 0.260 0.000 2.418 550 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.217 550 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.217 550 G C 1.785 176.734 174.900 0.081 0.000 1.158 550 G CA 1.261 46.431 45.100 0.118 0.000 0.771 550 G HN 0.623 nan 8.290 nan 0.000 0.545 551 A N 1.191 124.066 122.820 0.092 0.000 1.969 551 A HA -0.292 4.027 4.320 -0.001 0.000 0.223 551 A C 2.108 179.720 177.584 0.048 0.000 1.218 551 A CA 2.722 54.796 52.037 0.062 0.000 0.667 551 A CB -0.643 18.402 19.000 0.075 0.000 0.826 551 A HN 0.506 nan 8.150 nan 0.000 0.472 552 E N -0.123 120.107 120.200 0.050 0.000 2.007 552 E HA -0.240 4.110 4.350 -0.001 0.000 0.203 552 E C 2.051 178.666 176.600 0.025 0.000 1.020 552 E CA 2.072 58.490 56.400 0.029 0.000 0.845 552 E CB -0.533 29.176 29.700 0.016 0.000 0.779 552 E HN 0.551 nan 8.360 nan 0.000 0.466 553 R N -0.625 119.889 120.500 0.024 0.000 2.191 553 R HA -0.231 4.108 4.340 -0.001 0.000 0.248 553 R C 2.554 178.863 176.300 0.015 0.000 1.127 553 R CA 2.607 58.718 56.100 0.018 0.000 0.943 553 R CB -1.049 29.262 30.300 0.019 0.000 0.891 553 R HN 0.360 nan 8.270 nan 0.000 0.439 554 T N 0.883 115.446 114.554 0.014 0.000 2.595 554 T HA -0.193 4.156 4.350 -0.001 0.000 0.264 554 T C 1.841 176.548 174.700 0.011 0.000 1.058 554 T CA 1.761 63.864 62.100 0.005 0.000 1.166 554 T CB -0.156 68.712 68.868 0.001 0.000 0.863 554 T HN 0.162 nan 8.240 nan 0.000 0.415 555 M N 1.192 120.803 119.600 0.019 0.000 2.144 555 M HA -0.088 4.391 4.480 -0.001 0.000 0.260 555 M C 2.770 179.089 176.300 0.032 0.000 1.067 555 M CA 1.542 56.858 55.300 0.027 0.000 1.095 555 M CB -1.649 30.968 32.600 0.029 0.000 1.365 555 M HN 0.342 nan 8.290 nan 0.000 0.406 556 A N 0.488 123.324 122.820 0.027 0.000 1.873 556 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 556 A C 2.309 179.915 177.584 0.038 0.000 1.193 556 A CA 2.088 54.141 52.037 0.028 0.000 0.629 556 A CB -0.769 18.243 19.000 0.021 0.000 0.826 556 A HN 0.541 nan 8.150 nan 0.000 0.447 557 M N -0.477 119.142 119.600 0.033 0.000 2.159 557 M HA -0.081 4.399 4.480 -0.001 0.000 0.263 557 M C 1.897 178.246 176.300 0.083 0.000 1.063 557 M CA 1.643 56.967 55.300 0.040 0.000 1.110 557 M CB -0.563 32.040 32.600 0.005 0.000 1.374 557 M HN 0.444 nan 8.290 nan 0.000 0.411 558 L N -0.037 121.232 121.223 0.077 0.000 2.072 558 L HA -0.202 4.138 4.340 -0.001 0.000 0.205 558 L C 2.175 179.145 176.870 0.166 0.000 1.079 558 L CA 1.351 56.276 54.840 0.141 0.000 0.752 558 L CB -0.802 41.308 42.059 0.086 0.000 0.906 558 L HN 0.271 nan 8.230 nan 0.000 0.436 559 D N 0.392 120.849 120.400 0.095 0.000 2.092 559 D HA -0.185 4.454 4.640 -0.001 0.000 0.193 559 D C 2.302 178.643 176.300 0.069 0.000 0.994 559 D CA 1.365 55.406 54.000 0.067 0.000 0.828 559 D CB 0.090 40.916 40.800 0.044 0.000 0.963 559 D HN 0.067 nan 8.370 nan 0.000 0.450 560 R N -0.915 119.634 120.500 0.082 0.000 2.193 560 R HA -0.114 4.225 4.340 -0.001 0.000 0.229 560 R C 2.033 178.403 176.300 0.116 0.000 1.110 560 R CA 0.600 56.746 56.100 0.078 0.000 0.988 560 R CB -0.397 29.947 30.300 0.073 0.000 0.871 560 R HN 0.277 nan 8.270 nan 0.000 0.458 561 F N 0.582 120.528 119.950 -0.006 0.000 2.407 561 F HA 0.098 4.625 4.527 -0.001 0.000 0.299 561 F C 1.233 177.028 175.800 -0.008 0.000 1.097 561 F CA 1.215 59.210 58.000 -0.008 0.000 1.422 561 F CB 0.212 39.205 39.000 -0.011 0.000 1.067 561 F HN 0.183 nan 8.300 nan 0.000 0.539 562 G N 1.414 110.122 108.800 -0.154 0.000 2.141 562 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.195 562 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.195 562 G C 0.417 175.199 174.900 -0.196 0.000 1.012 562 G CA 0.071 45.031 45.100 -0.233 0.000 0.696 562 G HN 0.466 nan 8.290 nan 0.000 0.508 563 M N 0.556 120.117 119.600 -0.065 0.000 2.245 563 M HA 0.472 4.952 4.480 -0.001 0.000 0.344 563 M C -0.311 175.978 176.300 -0.019 0.000 1.170 563 M CA 0.689 55.982 55.300 -0.011 0.000 1.135 563 M CB 0.291 32.933 32.600 0.070 0.000 1.574 563 M HN 0.226 nan 8.290 nan 0.000 0.452 564 D N 1.760 122.147 120.400 -0.021 0.000 2.523 564 D HA 0.261 4.900 4.640 -0.001 0.000 0.236 564 D C -0.125 176.186 176.300 0.019 0.000 1.094 564 D CA -0.534 53.465 54.000 -0.001 0.000 0.942 564 D CB 1.325 42.120 40.800 -0.008 0.000 1.447 564 D HN 0.502 nan 8.370 nan 0.000 0.479 565 D N -0.260 120.182 120.400 0.071 0.000 2.218 565 D HA -0.133 4.507 4.640 -0.001 0.000 0.204 565 D C 1.852 178.238 176.300 0.143 0.000 0.976 565 D CA 1.057 55.159 54.000 0.170 0.000 0.853 565 D CB -0.111 40.795 40.800 0.176 0.000 0.939 565 D HN 0.365 nan 8.370 nan 0.000 0.481 566 S N -0.514 115.230 115.700 0.073 0.000 2.374 566 S HA -0.125 4.344 4.470 -0.001 0.000 0.227 566 S C 1.115 175.734 174.600 0.032 0.000 1.037 566 S CA 0.946 59.179 58.200 0.056 0.000 1.024 566 S CB -0.279 62.937 63.200 0.026 0.000 0.861 566 S HN 0.035 nan 8.310 nan 0.000 0.456 567 T N 3.620 118.163 114.554 -0.019 0.000 2.930 567 T HA 0.538 4.888 4.350 -0.001 0.000 0.313 567 T C -2.869 171.735 174.700 -0.160 0.000 1.019 567 T CA -1.261 60.801 62.100 -0.063 0.000 1.004 567 T CB 1.918 70.767 68.868 -0.032 0.000 0.987 567 T HN 0.079 nan 8.240 nan 0.000 0.456 568 P HA 0.293 nan 4.420 nan 0.000 0.271 568 P C -0.468 176.688 177.300 -0.240 0.000 1.244 568 P CA -0.633 62.156 63.100 -0.519 0.000 0.793 568 P CB 0.562 31.808 31.700 -0.757 0.000 0.984 569 I N 1.104 121.552 120.570 -0.203 0.000 2.493 569 I HA 0.364 4.533 4.170 -0.001 0.000 0.298 569 I C 0.095 176.158 176.117 -0.090 0.000 0.998 569 I CA -0.118 61.125 61.300 -0.095 0.000 1.137 569 I CB 1.318 39.286 38.000 -0.052 0.000 1.310 569 I HN 0.422 nan 8.210 nan 0.000 0.445 570 Q N 3.492 123.254 119.800 -0.063 0.000 3.761 570 Q HA 0.234 4.573 4.340 -0.001 0.000 0.206 570 Q C -1.236 174.737 176.000 -0.044 0.000 0.900 570 Q CA -0.050 55.721 55.803 -0.054 0.000 0.737 570 Q CB 1.187 29.893 28.738 -0.054 0.000 1.454 570 Q HN 0.727 nan 8.270 nan 0.000 0.448 571 S N 0.996 116.669 115.700 -0.046 0.000 2.501 571 S HA 0.414 4.884 4.470 -0.001 0.000 0.301 571 S C 0.613 175.187 174.600 -0.043 0.000 1.096 571 S CA -0.539 57.633 58.200 -0.047 0.000 1.063 571 S CB 1.317 64.482 63.200 -0.059 0.000 1.042 571 S HN 0.586 nan 8.310 nan 0.000 0.494 572 K N 2.786 123.161 120.400 -0.041 0.000 2.288 572 K HA -0.008 4.311 4.320 -0.001 0.000 0.201 572 K C 1.797 178.373 176.600 -0.040 0.000 1.048 572 K CA 0.803 57.067 56.287 -0.038 0.000 0.956 572 K CB -0.120 32.360 32.500 -0.034 0.000 0.746 572 K HN 0.680 nan 8.250 nan 0.000 0.461 573 M N 0.677 120.250 119.600 -0.045 0.000 2.193 573 M HA -0.119 4.360 4.480 -0.001 0.000 0.265 573 M C 1.791 178.064 176.300 -0.044 0.000 1.071 573 M CA 1.347 56.619 55.300 -0.046 0.000 1.140 573 M CB 0.158 32.725 32.600 -0.055 0.000 1.369 573 M HN -0.094 nan 8.290 nan 0.000 0.423 574 V N -0.264 119.622 119.914 -0.047 0.000 2.221 574 V HA -0.235 3.885 4.120 -0.001 0.000 0.242 574 V C 2.378 178.451 176.094 -0.035 0.000 1.041 574 V CA 2.117 64.393 62.300 -0.040 0.000 0.995 574 V CB -1.326 30.473 31.823 -0.040 0.000 0.635 574 V HN 0.604 nan 8.190 nan 0.000 0.448 575 S N -0.739 114.939 115.700 -0.037 0.000 2.428 575 S HA -0.309 4.160 4.470 -0.001 0.000 0.240 575 S C 2.178 176.751 174.600 -0.044 0.000 1.036 575 S CA 2.204 60.381 58.200 -0.039 0.000 1.009 575 S CB -0.401 62.775 63.200 -0.040 0.000 0.803 575 S HN 0.513 nan 8.310 nan 0.000 0.486 576 R N -0.299 120.176 120.500 -0.042 0.000 2.140 576 R HA 0.193 4.533 4.340 -0.001 0.000 0.213 576 R C 2.360 178.635 176.300 -0.043 0.000 1.059 576 R CA 0.889 56.962 56.100 -0.044 0.000 1.000 576 R CB -0.412 29.863 30.300 -0.041 0.000 0.910 576 R HN 0.438 nan 8.270 nan 0.000 0.455 577 A N 0.277 123.075 122.820 -0.036 0.000 2.015 577 A HA -0.047 4.272 4.320 -0.001 0.000 0.219 577 A C 2.057 179.625 177.584 -0.027 0.000 1.163 577 A CA 1.004 53.024 52.037 -0.029 0.000 0.646 577 A CB -0.171 18.816 19.000 -0.022 0.000 0.806 577 A HN 0.178 nan 8.150 nan 0.000 0.448 578 V N -0.264 119.633 119.914 -0.029 0.000 2.323 578 V HA -0.177 3.942 4.120 -0.001 0.000 0.244 578 V C 2.517 178.581 176.094 -0.049 0.000 1.041 578 V CA 2.162 64.446 62.300 -0.026 0.000 1.025 578 V CB -0.612 31.197 31.823 -0.023 0.000 0.656 578 V HN 0.625 nan 8.190 nan 0.000 0.451 579 E N 0.230 120.394 120.200 -0.060 0.000 2.160 579 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 579 E C 2.398 178.945 176.600 -0.088 0.000 0.991 579 E CA 1.526 57.881 56.400 -0.076 0.000 0.810 579 E CB -0.407 29.250 29.700 -0.072 0.000 0.742 579 E HN 0.452 nan 8.360 nan 0.000 0.466 580 S N -1.140 114.512 115.700 -0.080 0.000 2.368 580 S HA -0.095 4.374 4.470 -0.001 0.000 0.224 580 S C 2.010 176.518 174.600 -0.154 0.000 1.029 580 S CA 1.239 59.381 58.200 -0.097 0.000 0.988 580 S CB -0.259 62.901 63.200 -0.067 0.000 0.838 580 S HN 0.294 nan 8.310 nan 0.000 0.462 581 S N 0.934 116.553 115.700 -0.135 0.000 2.345 581 S HA -0.111 4.359 4.470 -0.001 0.000 0.220 581 S C 1.929 176.360 174.600 -0.282 0.000 1.031 581 S CA 1.322 59.393 58.200 -0.215 0.000 0.996 581 S CB -0.575 62.613 63.200 -0.020 0.000 0.882 581 S HN 0.468 nan 8.310 nan 0.000 0.445 582 Q N 1.685 121.394 119.800 -0.151 0.000 2.156 582 Q HA -0.177 4.163 4.340 -0.001 0.000 0.211 582 Q C 1.779 177.679 176.000 -0.167 0.000 0.995 582 Q CA 1.848 57.573 55.803 -0.129 0.000 0.877 582 Q CB -0.341 28.341 28.738 -0.094 0.000 0.920 582 Q HN 0.471 nan 8.270 nan 0.000 0.416 583 K N -0.785 119.508 120.400 -0.179 0.000 2.057 583 K HA -0.056 4.264 4.320 -0.001 0.000 0.206 583 K C 2.266 178.727 176.600 -0.232 0.000 1.050 583 K CA 1.052 57.236 56.287 -0.171 0.000 0.935 583 K CB -0.103 32.311 32.500 -0.145 0.000 0.715 583 K HN 0.124 nan 8.250 nan 0.000 0.439 584 R N 0.632 120.901 120.500 -0.385 0.000 2.081 584 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 584 R C 2.319 178.299 176.300 -0.532 0.000 1.131 584 R CA 1.186 56.940 56.100 -0.576 0.000 0.960 584 R CB -0.576 29.055 30.300 -1.115 0.000 0.856 584 R HN 0.043 nan 8.270 nan 0.000 0.436 585 V N 1.416 121.025 119.914 -0.508 0.000 2.287 585 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 585 V C 2.013 178.081 176.094 -0.042 0.000 1.053 585 V CA 1.870 64.102 62.300 -0.113 0.000 1.027 585 V CB -0.471 31.345 31.823 -0.010 0.000 0.646 585 V HN 0.385 nan 8.190 nan 0.000 0.447 586 E N -0.064 120.089 120.200 -0.080 0.000 2.333 586 E HA -0.138 4.212 4.350 -0.001 0.000 0.198 586 E C 2.185 178.785 176.600 -0.000 0.000 1.007 586 E CA 0.922 57.301 56.400 -0.036 0.000 0.845 586 E CB -0.332 29.326 29.700 -0.070 0.000 0.766 586 E HN 0.694 nan 8.360 nan 0.000 0.507 587 G N 1.621 110.403 108.800 -0.030 0.000 2.454 587 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.214 587 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.214 587 G C 1.387 176.357 174.900 0.117 0.000 1.217 587 G CA 0.393 45.512 45.100 0.031 0.000 0.799 587 G HN 0.150 nan 8.290 nan 0.000 0.538 588 N N 1.662 120.420 118.700 0.098 0.000 2.149 588 N HA -0.118 4.622 4.740 -0.001 0.000 0.188 588 N C 1.884 177.455 175.510 0.102 0.000 1.019 588 N CA 1.164 54.284 53.050 0.117 0.000 0.857 588 N CB -0.416 38.169 38.487 0.163 0.000 0.997 588 N HN 0.172 nan 8.380 nan 0.000 0.426 589 N N 0.692 119.455 118.700 0.105 0.000 2.223 589 N HA -0.108 4.632 4.740 -0.001 0.000 0.185 589 N C 1.408 176.993 175.510 0.126 0.000 1.016 589 N CA 0.434 53.540 53.050 0.092 0.000 0.863 589 N CB -0.486 38.049 38.487 0.080 0.000 0.983 589 N HN 0.220 nan 8.380 nan 0.000 0.429 590 F N 1.696 121.639 119.950 -0.010 0.000 2.234 590 F HA -0.024 4.502 4.527 -0.001 0.000 0.296 590 F C 1.711 177.508 175.800 -0.004 0.000 1.089 590 F CA 0.953 58.943 58.000 -0.016 0.000 1.343 590 F CB -0.150 38.834 39.000 -0.027 0.000 1.040 590 F HN -0.091 nan 8.300 nan 0.000 0.498 591 D N -0.277 120.124 120.400 0.001 0.000 2.117 591 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 591 D C 2.429 178.665 176.300 -0.106 0.000 0.987 591 D CA 1.635 55.586 54.000 -0.081 0.000 0.829 591 D CB -0.304 40.505 40.800 0.015 0.000 0.961 591 D HN 0.252 nan 8.370 nan 0.000 0.460 592 S N 0.625 116.291 115.700 -0.056 0.000 2.348 592 S HA -0.116 4.354 4.470 -0.001 0.000 0.221 592 S C 1.931 176.482 174.600 -0.083 0.000 1.033 592 S CA 0.736 58.903 58.200 -0.055 0.000 1.010 592 S CB -0.083 63.099 63.200 -0.029 0.000 0.891 592 S HN 0.248 nan 8.310 nan 0.000 0.442 593 R N 1.283 121.725 120.500 -0.097 0.000 2.094 593 R HA -0.143 4.196 4.340 -0.001 0.000 0.239 593 R C 2.469 178.675 176.300 -0.156 0.000 1.137 593 R CA 1.726 57.763 56.100 -0.104 0.000 0.943 593 R CB -0.341 29.901 30.300 -0.096 0.000 0.850 593 R HN 0.330 nan 8.270 nan 0.000 0.433 594 K N 0.809 121.030 120.400 -0.299 0.000 2.074 594 K HA -0.265 4.054 4.320 -0.001 0.000 0.209 594 K C 2.257 178.785 176.600 -0.120 0.000 1.048 594 K CA 1.791 57.904 56.287 -0.290 0.000 0.926 594 K CB -0.014 32.223 32.500 -0.438 0.000 0.713 594 K HN 0.190 nan 8.250 nan 0.000 0.444 595 Q N 0.375 120.132 119.800 -0.071 0.000 2.016 595 Q HA -0.129 4.211 4.340 -0.001 0.000 0.200 595 Q C 2.112 178.185 176.000 0.123 0.000 0.978 595 Q CA 1.361 57.186 55.803 0.037 0.000 0.833 595 Q CB -0.048 28.708 28.738 0.031 0.000 0.895 595 Q HN 0.376 nan 8.270 nan 0.000 0.427 596 L N 0.913 122.155 121.223 0.031 0.000 2.187 596 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 596 L C 2.494 179.421 176.870 0.095 0.000 1.100 596 L CA 0.359 55.221 54.840 0.037 0.000 0.765 596 L CB -0.473 41.566 42.059 -0.034 0.000 0.904 596 L HN 0.342 nan 8.230 nan 0.000 0.437 597 L N -0.192 121.057 121.223 0.043 0.000 2.083 597 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 597 L C 2.517 179.422 176.870 0.059 0.000 1.083 597 L CA 1.755 56.611 54.840 0.027 0.000 0.752 597 L CB -0.483 41.556 42.059 -0.034 0.000 0.899 597 L HN 0.258 nan 8.230 nan 0.000 0.433 598 Q N -1.770 118.077 119.800 0.079 0.000 2.084 598 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 598 Q C 2.142 178.183 176.000 0.069 0.000 0.978 598 Q CA 2.100 57.926 55.803 0.038 0.000 0.844 598 Q CB -0.350 28.380 28.738 -0.013 0.000 0.898 598 Q HN 0.547 nan 8.270 nan 0.000 0.426 599 Y N 1.025 121.358 120.300 0.054 0.000 2.200 599 Y HA -0.169 4.381 4.550 -0.001 0.000 0.290 599 Y C 1.918 177.919 175.900 0.168 0.000 1.137 599 Y CA 1.097 59.275 58.100 0.129 0.000 1.163 599 Y CB -0.174 38.257 38.460 -0.048 0.000 0.988 599 Y HN 0.094 nan 8.280 nan 0.000 0.518 600 D N -0.069 120.476 120.400 0.242 0.000 2.182 600 D HA -0.158 4.481 4.640 -0.001 0.000 0.201 600 D C 1.542 177.918 176.300 0.126 0.000 0.986 600 D CA 1.476 55.570 54.000 0.157 0.000 0.847 600 D CB -0.315 40.545 40.800 0.101 0.000 0.942 600 D HN 0.297 nan 8.370 nan 0.000 0.467 601 D N -0.600 119.858 120.400 0.096 0.000 2.178 601 D HA -0.081 4.559 4.640 -0.001 0.000 0.202 601 D C 2.203 178.528 176.300 0.041 0.000 0.974 601 D CA 0.244 54.273 54.000 0.049 0.000 0.841 601 D CB -0.107 40.700 40.800 0.012 0.000 0.953 601 D HN 0.049 nan 8.370 nan 0.000 0.478 602 V N 0.826 120.775 119.914 0.057 0.000 2.231 602 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 602 V C 2.446 178.553 176.094 0.020 0.000 1.054 602 V CA 1.437 63.732 62.300 -0.008 0.000 1.015 602 V CB -0.542 31.216 31.823 -0.108 0.000 0.638 602 V HN 0.184 nan 8.190 nan 0.000 0.444 603 L N -0.100 121.176 121.223 0.088 0.000 2.156 603 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 603 L C 2.578 179.540 176.870 0.153 0.000 1.095 603 L CA 1.804 56.723 54.840 0.133 0.000 0.770 603 L CB -0.650 41.485 42.059 0.126 0.000 0.914 603 L HN 0.224 nan 8.230 nan 0.000 0.439 604 R N -0.736 119.825 120.500 0.102 0.000 2.080 604 R HA -0.224 4.115 4.340 -0.001 0.000 0.236 604 R C 2.248 178.567 176.300 0.032 0.000 1.137 604 R CA 2.164 58.310 56.100 0.076 0.000 0.943 604 R CB -0.323 30.009 30.300 0.055 0.000 0.846 604 R HN 0.482 nan 8.270 nan 0.000 0.431 605 Q N -0.055 119.743 119.800 -0.002 0.000 2.124 605 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 605 Q C 2.310 178.252 176.000 -0.096 0.000 0.977 605 Q CA 1.985 57.757 55.803 -0.052 0.000 0.850 605 Q CB 0.030 28.725 28.738 -0.072 0.000 0.901 605 Q HN 0.521 nan 8.270 nan 0.000 0.429 606 Q N 0.063 119.816 119.800 -0.079 0.000 2.050 606 Q HA -0.204 4.135 4.340 -0.001 0.000 0.202 606 Q C 2.151 178.141 176.000 -0.017 0.000 0.980 606 Q CA 1.233 56.957 55.803 -0.131 0.000 0.840 606 Q CB -0.256 28.571 28.738 0.147 0.000 0.898 606 Q HN 0.280 nan 8.270 nan 0.000 0.424 607 R N 1.229 121.764 120.500 0.058 0.000 2.073 607 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 607 R C 1.864 177.942 176.300 -0.370 0.000 1.134 607 R CA 1.653 57.598 56.100 -0.258 0.000 0.952 607 R CB 0.013 30.304 30.300 -0.016 0.000 0.850 607 R HN 0.292 nan 8.270 nan 0.000 0.433 608 E N -0.251 119.858 120.200 -0.152 0.000 2.085 608 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 608 E C 2.021 178.595 176.600 -0.042 0.000 0.994 608 E CA 1.654 58.015 56.400 -0.065 0.000 0.801 608 E CB -0.010 29.677 29.700 -0.020 0.000 0.743 608 E HN 0.168 nan 8.360 nan 0.000 0.453 609 V N 1.553 121.425 119.914 -0.069 0.000 2.261 609 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 609 V C 2.281 178.383 176.094 0.014 0.000 1.047 609 V CA 1.334 63.620 62.300 -0.023 0.000 1.015 609 V CB -0.352 31.439 31.823 -0.054 0.000 0.642 609 V HN 0.315 nan 8.190 nan 0.000 0.446 610 I N -0.877 119.671 120.570 -0.038 0.000 2.208 610 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 610 I C 2.513 178.652 176.117 0.037 0.000 1.097 610 I CA 2.057 63.309 61.300 -0.079 0.000 1.363 610 I CB -0.930 36.816 38.000 -0.423 0.000 1.051 610 I HN 0.316 nan 8.210 nan 0.000 0.413 611 Y N 1.086 121.260 120.300 -0.209 0.000 2.181 611 Y HA -0.234 4.315 4.550 -0.001 0.000 0.288 611 Y C 2.640 178.519 175.900 -0.034 0.000 1.146 611 Y CA 1.155 59.175 58.100 -0.133 0.000 1.164 611 Y CB -0.974 37.430 38.460 -0.093 0.000 0.982 611 Y HN 0.195 nan 8.280 nan 0.000 0.515 612 K N -0.114 120.383 120.400 0.162 0.000 1.991 612 K HA -0.232 4.087 4.320 -0.001 0.000 0.212 612 K C 2.053 178.726 176.600 0.122 0.000 1.049 612 K CA 1.740 58.103 56.287 0.127 0.000 0.932 612 K CB -0.028 32.521 32.500 0.082 0.000 0.717 612 K HN 0.194 nan 8.250 nan 0.000 0.441 613 Q N 0.380 120.224 119.800 0.073 0.000 2.112 613 Q HA -0.220 4.119 4.340 -0.001 0.000 0.206 613 Q C 2.195 178.204 176.000 0.015 0.000 0.987 613 Q CA 1.557 57.382 55.803 0.037 0.000 0.858 613 Q CB -0.385 28.363 28.738 0.017 0.000 0.905 613 Q HN 0.384 nan 8.270 nan 0.000 0.420 614 R N -0.330 120.177 120.500 0.011 0.000 2.073 614 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 614 R C 2.233 178.519 176.300 -0.024 0.000 1.134 614 R CA 1.187 57.264 56.100 -0.039 0.000 0.952 614 R CB -0.379 29.871 30.300 -0.082 0.000 0.850 614 R HN 0.211 nan 8.270 nan 0.000 0.433 615 F N 2.252 122.140 119.950 -0.102 0.000 2.126 615 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 615 F C 2.121 177.880 175.800 -0.068 0.000 1.096 615 F CA 1.615 59.558 58.000 -0.095 0.000 1.255 615 F CB -0.129 38.827 39.000 -0.074 0.000 0.997 615 F HN 0.039 nan 8.300 nan 0.000 0.479 616 E N 0.408 120.601 120.200 -0.011 0.000 2.070 616 E HA -0.195 4.154 4.350 -0.001 0.000 0.197 616 E C 2.556 179.040 176.600 -0.194 0.000 1.004 616 E CA 1.576 57.914 56.400 -0.102 0.000 0.805 616 E CB -1.067 28.631 29.700 -0.003 0.000 0.744 616 E HN 0.357 nan 8.360 nan 0.000 0.451 617 V N 1.695 121.516 119.914 -0.156 0.000 2.231 617 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 617 V C 2.492 178.456 176.094 -0.218 0.000 1.054 617 V CA 1.856 64.059 62.300 -0.161 0.000 1.015 617 V CB -0.521 31.219 31.823 -0.138 0.000 0.638 617 V HN 0.232 nan 8.190 nan 0.000 0.444 618 I N 0.127 120.528 120.570 -0.282 0.000 2.264 618 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 618 I C 1.459 177.354 176.117 -0.370 0.000 1.111 618 I CA 1.752 62.862 61.300 -0.317 0.000 1.382 618 I CB -0.280 37.518 38.000 -0.337 0.000 1.060 618 I HN 0.339 nan 8.210 nan 0.000 0.418 619 D N 0.746 120.824 120.400 -0.537 0.000 2.889 619 D HA 0.082 4.721 4.640 -0.001 0.000 0.243 619 D C -0.181 175.974 176.300 -0.241 0.000 1.270 619 D CA 0.061 53.788 54.000 -0.456 0.000 0.838 619 D CB 0.176 40.533 40.800 -0.738 0.000 1.040 619 D HN -0.013 nan 8.370 nan 0.000 0.480 620 S N -0.601 114.991 115.700 -0.180 0.000 2.571 620 S HA 0.275 4.745 4.470 -0.001 0.000 0.284 620 S C 0.706 175.258 174.600 -0.081 0.000 1.128 620 S CA -0.643 57.491 58.200 -0.110 0.000 0.970 620 S CB 1.437 64.575 63.200 -0.103 0.000 1.039 620 S HN 0.143 nan 8.310 nan 0.000 0.485 621 E N 2.492 122.662 120.200 -0.050 0.000 2.102 621 E HA 0.077 4.426 4.350 -0.001 0.000 0.190 621 E C 0.350 176.938 176.600 -0.020 0.000 0.971 621 E CA 0.203 56.586 56.400 -0.028 0.000 0.821 621 E CB 0.144 29.837 29.700 -0.013 0.000 0.777 621 E HN 0.556 nan 8.360 nan 0.000 0.460 622 N N 0.621 119.309 118.700 -0.019 0.000 2.400 622 N HA 0.121 4.860 4.740 -0.001 0.000 0.288 622 N C -0.483 175.008 175.510 -0.031 0.000 1.024 622 N CA -0.022 53.022 53.050 -0.011 0.000 0.894 622 N CB 1.742 40.231 38.487 0.003 0.000 1.173 622 N HN -0.013 nan 8.380 nan 0.000 0.487 623 L N 3.458 124.658 121.223 -0.038 0.000 2.966 623 L HA 0.332 4.671 4.340 -0.001 0.000 0.262 623 L C 1.880 178.701 176.870 -0.082 0.000 1.165 623 L CA 0.080 54.882 54.840 -0.064 0.000 0.978 623 L CB -0.066 41.945 42.059 -0.080 0.000 1.337 623 L HN 0.444 nan 8.230 nan 0.000 0.563 624 R N 0.606 121.060 120.500 -0.077 0.000 2.080 624 R HA -0.201 4.139 4.340 -0.001 0.000 0.236 624 R C 2.085 178.292 176.300 -0.154 0.000 1.137 624 R CA 2.090 58.100 56.100 -0.151 0.000 0.943 624 R CB -0.247 29.967 30.300 -0.143 0.000 0.846 624 R HN 0.474 nan 8.270 nan 0.000 0.431 625 E N -0.088 120.062 120.200 -0.083 0.000 2.086 625 E HA -0.241 4.109 4.350 -0.001 0.000 0.200 625 E C 1.863 178.420 176.600 -0.073 0.000 1.012 625 E CA 1.961 58.325 56.400 -0.061 0.000 0.812 625 E CB -0.214 29.470 29.700 -0.027 0.000 0.743 625 E HN 0.425 nan 8.360 nan 0.000 0.453 626 I N 0.433 120.959 120.570 -0.074 0.000 2.179 626 I HA -0.260 3.910 4.170 -0.001 0.000 0.242 626 I C 2.441 178.502 176.117 -0.092 0.000 1.088 626 I CA 0.856 62.112 61.300 -0.074 0.000 1.357 626 I CB -0.267 37.689 38.000 -0.074 0.000 1.051 626 I HN 0.088 nan 8.210 nan 0.000 0.409 627 V N 0.694 120.537 119.914 -0.118 0.000 2.295 627 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 627 V C 2.360 178.379 176.094 -0.123 0.000 1.049 627 V CA 1.856 64.077 62.300 -0.131 0.000 1.024 627 V CB -0.781 30.946 31.823 -0.159 0.000 0.648 627 V HN 0.417 nan 8.190 nan 0.000 0.447 628 E N 0.540 120.647 120.200 -0.154 0.000 2.070 628 E HA -0.288 4.062 4.350 -0.001 0.000 0.197 628 E C 2.116 178.677 176.600 -0.066 0.000 1.004 628 E CA 1.826 58.150 56.400 -0.128 0.000 0.805 628 E CB -0.300 29.316 29.700 -0.141 0.000 0.744 628 E HN 0.614 nan 8.360 nan 0.000 0.451 629 N N 0.368 119.031 118.700 -0.062 0.000 2.104 629 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 629 N C 1.751 177.234 175.510 -0.044 0.000 1.024 629 N CA 1.332 54.356 53.050 -0.045 0.000 0.853 629 N CB -0.148 38.313 38.487 -0.043 0.000 1.008 629 N HN 0.166 nan 8.380 nan 0.000 0.424 630 M N -0.227 119.338 119.600 -0.058 0.000 2.213 630 M HA -0.065 4.414 4.480 -0.001 0.000 0.263 630 M C 1.618 177.900 176.300 -0.030 0.000 1.062 630 M CA 1.140 56.403 55.300 -0.062 0.000 1.105 630 M CB -0.300 32.247 32.600 -0.090 0.000 1.385 630 M HN 0.145 nan 8.290 nan 0.000 0.417 631 I N -0.508 120.057 120.570 -0.007 0.000 2.233 631 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 631 I C 2.501 178.646 176.117 0.046 0.000 1.093 631 I CA 0.880 62.227 61.300 0.079 0.000 1.380 631 I CB -0.601 37.456 38.000 0.094 0.000 1.067 631 I HN 0.194 nan 8.210 nan 0.000 0.413 632 K N 1.193 121.590 120.400 -0.004 0.000 2.015 632 K HA -0.179 4.140 4.320 -0.001 0.000 0.216 632 K C 2.350 178.930 176.600 -0.033 0.000 1.052 632 K CA 2.147 58.417 56.287 -0.029 0.000 0.937 632 K CB -0.507 31.977 32.500 -0.025 0.000 0.719 632 K HN 0.275 nan 8.250 nan 0.000 0.446 633 S N 0.947 116.631 115.700 -0.026 0.000 2.353 633 S HA -0.184 4.286 4.470 -0.001 0.000 0.222 633 S C 2.142 176.727 174.600 -0.025 0.000 1.035 633 S CA 1.732 59.914 58.200 -0.030 0.000 1.025 633 S CB -0.528 62.649 63.200 -0.038 0.000 0.902 633 S HN 0.402 nan 8.310 nan 0.000 0.440 634 S N 1.344 117.043 115.700 -0.002 0.000 2.368 634 S HA -0.181 4.288 4.470 -0.001 0.000 0.226 634 S C 1.875 176.501 174.600 0.044 0.000 1.044 634 S CA 1.615 59.838 58.200 0.039 0.000 1.062 634 S CB -0.625 62.646 63.200 0.118 0.000 0.931 634 S HN 0.352 nan 8.310 nan 0.000 0.440 635 L N 2.050 123.264 121.223 -0.015 0.000 1.994 635 L HA -0.038 4.302 4.340 -0.001 0.000 0.208 635 L C 2.392 179.188 176.870 -0.124 0.000 1.071 635 L CA 2.854 57.584 54.840 -0.184 0.000 0.745 635 L CB -1.347 40.516 42.059 -0.327 0.000 0.892 635 L HN 0.571 nan 8.230 nan 0.000 0.431 636 E N -0.681 119.467 120.200 -0.086 0.000 2.147 636 E HA -0.307 4.043 4.350 -0.001 0.000 0.199 636 E C 2.306 178.875 176.600 -0.051 0.000 1.005 636 E CA 1.630 57.992 56.400 -0.064 0.000 0.810 636 E CB -0.135 29.538 29.700 -0.044 0.000 0.736 636 E HN 0.492 nan 8.360 nan 0.000 0.460 637 R N -0.242 120.234 120.500 -0.041 0.000 2.075 637 R HA -0.092 4.248 4.340 -0.001 0.000 0.232 637 R C 2.462 178.746 176.300 -0.027 0.000 1.126 637 R CA 0.993 57.077 56.100 -0.027 0.000 0.963 637 R CB -0.322 29.964 30.300 -0.024 0.000 0.858 637 R HN 0.242 nan 8.270 nan 0.000 0.435 638 A N 1.540 124.331 122.820 -0.049 0.000 1.865 638 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 638 A C 2.166 179.685 177.584 -0.109 0.000 1.191 638 A CA 1.429 53.415 52.037 -0.085 0.000 0.623 638 A CB -0.618 18.312 19.000 -0.118 0.000 0.826 638 A HN 0.188 nan 8.150 nan 0.000 0.444 639 I N -0.020 120.485 120.570 -0.110 0.000 2.208 639 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 639 I C 2.905 179.009 176.117 -0.021 0.000 1.097 639 I CA 1.221 62.471 61.300 -0.082 0.000 1.363 639 I CB -0.401 37.550 38.000 -0.081 0.000 1.051 639 I HN 0.349 nan 8.210 nan 0.000 0.413 640 A N 0.722 123.531 122.820 -0.018 0.000 1.972 640 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 640 A C 2.549 180.154 177.584 0.035 0.000 1.169 640 A CA 1.709 53.745 52.037 -0.001 0.000 0.635 640 A CB -0.748 18.248 19.000 -0.007 0.000 0.810 640 A HN 0.445 nan 8.150 nan 0.000 0.446 641 A N -1.627 121.238 122.820 0.075 0.000 1.933 641 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 641 A C 2.007 179.751 177.584 0.266 0.000 1.175 641 A CA 1.482 53.615 52.037 0.161 0.000 0.628 641 A CB -0.635 18.488 19.000 0.205 0.000 0.814 641 A HN 0.677 nan 8.150 nan 0.000 0.444 642 Y N -0.290 119.974 120.300 -0.060 0.000 2.478 642 Y HA 0.036 4.585 4.550 -0.001 0.000 0.261 642 Y C 1.339 177.157 175.900 -0.136 0.000 1.127 642 Y CA 0.544 58.596 58.100 -0.080 0.000 1.288 642 Y CB 0.496 38.917 38.460 -0.065 0.000 1.084 642 Y HN 0.370 nan 8.280 nan 0.000 0.530 643 T N -1.584 112.970 114.554 -0.001 0.000 3.243 643 T HA 0.298 4.647 4.350 -0.001 0.000 0.245 643 T C -2.692 171.918 174.700 -0.150 0.000 1.263 643 T CA -2.171 59.845 62.100 -0.140 0.000 1.228 643 T CB -0.274 68.520 68.868 -0.123 0.000 1.097 643 T HN -0.177 nan 8.240 nan 0.000 0.628 644 P HA -0.021 nan 4.420 nan 0.000 0.249 644 P C 0.659 177.901 177.300 -0.097 0.000 1.140 644 P CA 0.135 63.171 63.100 -0.108 0.000 0.803 644 P CB 0.172 31.804 31.700 -0.114 0.000 0.745 645 R N 1.972 122.444 120.500 -0.046 0.000 2.421 645 R HA -0.096 4.244 4.340 -0.001 0.000 0.208 645 R C 0.694 177.004 176.300 0.016 0.000 1.103 645 R CA 0.724 56.817 56.100 -0.012 0.000 1.065 645 R CB -0.547 29.753 30.300 0.000 0.000 0.839 645 R HN 0.620 nan 8.270 nan 0.000 0.480 651 E N 0.119 120.359 120.200 0.066 0.000 2.314 651 E HA 0.310 4.659 4.350 -0.001 0.000 0.272 651 E C -1.884 174.798 176.600 0.137 0.000 0.884 651 E CA -0.765 55.694 56.400 0.098 0.000 0.753 651 E CB 2.120 31.853 29.700 0.055 0.000 1.213 651 E HN 0.022 nan 8.360 nan 0.000 0.432 652 W N 5.075 126.376 121.300 0.001 0.000 2.295 652 W HA 0.277 4.936 4.660 -0.001 0.000 0.333 652 W C -0.714 175.805 176.519 -0.000 0.000 0.990 652 W CA -0.397 56.944 57.345 -0.007 0.000 1.453 652 W CB 0.173 29.624 29.460 -0.016 0.000 1.263 652 W HN 0.411 nan 8.180 nan 0.000 0.380 653 K N 4.686 124.825 120.400 -0.436 0.000 6.098 653 K HA -0.264 4.055 4.320 -0.001 0.000 0.538 653 K C -0.573 175.941 176.600 -0.142 0.000 1.338 653 K CA 0.183 56.211 56.287 -0.432 0.000 1.473 653 K CB -1.156 30.835 32.500 -0.848 0.000 1.815 653 K HN 0.562 nan 8.250 nan 0.000 0.359 654 L N 1.924 123.088 121.223 -0.100 0.000 2.468 654 L HA 0.399 4.739 4.340 -0.001 0.000 0.254 654 L C -0.190 176.700 176.870 0.032 0.000 1.171 654 L CA 0.470 55.295 54.840 -0.025 0.000 0.809 654 L CB 1.046 43.058 42.059 -0.078 0.000 1.155 654 L HN 0.421 nan 8.230 nan 0.000 0.473 655 D N 0.780 121.241 120.400 0.102 0.000 2.879 655 D HA 0.683 5.323 4.640 -0.001 0.000 0.236 655 D C 0.122 176.551 176.300 0.215 0.000 1.171 655 D CA 0.334 54.457 54.000 0.205 0.000 0.868 655 D CB 2.026 42.928 40.800 0.171 0.000 1.598 655 D HN 0.699 nan 8.370 nan 0.000 0.497 656 G N 0.765 109.774 108.800 0.348 0.000 3.293 656 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.157 656 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.157 656 G C 1.111 176.096 174.900 0.141 0.000 1.298 656 G CA -0.225 45.035 45.100 0.266 0.000 0.831 656 G HN 0.485 nan 8.290 nan 0.000 0.902 657 L N 1.456 122.674 121.223 -0.010 0.000 2.151 657 L HA -0.175 4.165 4.340 -0.001 0.000 0.215 657 L C 2.598 179.371 176.870 -0.161 0.000 1.084 657 L CA 1.632 56.207 54.840 -0.443 0.000 0.764 657 L CB -0.175 41.590 42.059 -0.491 0.000 0.891 657 L HN 0.115 nan 8.230 nan 0.000 0.435 658 V N 0.246 120.135 119.914 -0.042 0.000 2.219 658 V HA -0.374 3.746 4.120 -0.001 0.000 0.248 658 V C 2.084 178.175 176.094 -0.004 0.000 1.053 658 V CA 2.432 64.724 62.300 -0.012 0.000 1.009 658 V CB -0.798 31.037 31.823 0.020 0.000 0.636 658 V HN 0.547 nan 8.190 nan 0.000 0.445 659 D N -0.265 120.143 120.400 0.014 0.000 2.309 659 D HA -0.112 4.528 4.640 -0.001 0.000 0.212 659 D C 1.890 178.201 176.300 0.018 0.000 0.968 659 D CA 0.849 54.862 54.000 0.023 0.000 0.882 659 D CB -0.007 40.814 40.800 0.036 0.000 0.918 659 D HN 0.365 nan 8.370 nan 0.000 0.503 660 L N 0.539 121.754 121.223 -0.012 0.000 2.240 660 L HA -0.054 4.285 4.340 -0.001 0.000 0.211 660 L C 1.787 178.683 176.870 0.044 0.000 1.106 660 L CA 0.972 55.802 54.840 -0.017 0.000 0.793 660 L CB -0.023 41.958 42.059 -0.131 0.000 0.927 660 L HN -0.118 nan 8.230 nan 0.000 0.446 661 I N -0.700 119.889 120.570 0.032 0.000 2.429 661 I HA -0.052 4.117 4.170 -0.001 0.000 0.247 661 I C 1.865 178.058 176.117 0.127 0.000 1.099 661 I CA 0.631 61.992 61.300 0.101 0.000 1.422 661 I CB -1.417 36.571 38.000 -0.020 0.000 1.112 661 I HN 0.280 nan 8.210 nan 0.000 0.430 662 N N 0.416 119.154 118.700 0.064 0.000 2.364 662 N HA -0.133 4.606 4.740 -0.001 0.000 0.183 662 N C 1.693 177.236 175.510 0.056 0.000 1.022 662 N CA 1.274 54.357 53.050 0.056 0.000 0.883 662 N CB -0.100 38.408 38.487 0.034 0.000 0.965 662 N HN 0.291 nan 8.380 nan 0.000 0.438 663 T N -1.024 113.564 114.554 0.056 0.000 3.060 663 T HA 0.125 4.474 4.350 -0.001 0.000 0.249 663 T C 1.116 175.834 174.700 0.030 0.000 1.079 663 T CA 0.617 62.740 62.100 0.039 0.000 1.013 663 T CB 0.227 69.113 68.868 0.031 0.000 0.975 663 T HN 0.153 nan 8.240 nan 0.000 0.518 664 T N -0.694 113.898 114.554 0.063 0.000 2.966 664 T HA 0.283 4.632 4.350 -0.001 0.000 0.254 664 T C 0.410 174.980 174.700 -0.217 0.000 0.961 664 T CA -0.090 61.972 62.100 -0.063 0.000 0.915 664 T CB 0.338 69.168 68.868 -0.063 0.000 1.186 664 T HN 0.326 nan 8.240 nan 0.000 0.505 665 Y N -0.253 120.046 120.300 -0.002 0.000 2.965 665 Y HA 0.477 5.027 4.550 -0.001 0.000 0.242 665 Y C 1.688 177.597 175.900 0.015 0.000 1.078 665 Y CA -0.528 57.575 58.100 0.006 0.000 1.288 665 Y CB 0.030 38.486 38.460 -0.007 0.000 1.459 665 Y HN -0.062 nan 8.280 nan 0.000 0.438 666 L N -0.479 120.861 121.223 0.196 0.000 2.049 666 L HA 0.063 4.403 4.340 -0.001 0.000 0.203 666 L C -0.283 176.629 176.870 0.069 0.000 1.074 666 L CA 1.515 56.421 54.840 0.109 0.000 0.749 666 L CB 0.053 42.157 42.059 0.076 0.000 0.907 666 L HN 0.209 nan 8.230 nan 0.000 0.439 667 D N -1.979 118.455 120.400 0.057 0.000 3.480 667 D HA -0.054 4.586 4.640 -0.001 0.000 0.320 667 D C -1.381 174.939 176.300 0.033 0.000 1.020 667 D CA -0.431 53.589 54.000 0.035 0.000 0.708 667 D CB 0.515 41.332 40.800 0.029 0.000 1.663 667 D HN -0.150 nan 8.370 nan 0.000 0.543 668 E N 0.471 120.686 120.200 0.024 0.000 2.316 668 E HA 0.472 4.821 4.350 -0.001 0.000 0.275 668 E C 0.550 177.162 176.600 0.021 0.000 1.029 668 E CA 1.016 57.429 56.400 0.022 0.000 0.871 668 E CB 0.424 30.135 29.700 0.017 0.000 1.022 668 E HN 0.704 nan 8.360 nan 0.000 0.418 669 G N 3.657 112.469 108.800 0.021 0.000 2.363 669 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.286 669 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.286 669 G C 0.524 175.435 174.900 0.018 0.000 0.975 669 G CA 0.515 45.625 45.100 0.017 0.000 1.309 669 G HN 0.756 nan 8.290 nan 0.000 0.491 670 A N 0.247 123.079 122.820 0.020 0.000 2.192 670 A HA 0.758 5.077 4.320 -0.001 0.000 0.208 670 A C 0.954 178.548 177.584 0.017 0.000 1.220 670 A CA 1.184 53.234 52.037 0.021 0.000 0.900 670 A CB 0.598 19.614 19.000 0.027 0.000 0.937 670 A HN 0.863 nan 8.150 nan 0.000 0.487 671 L N -2.638 118.594 121.223 0.015 0.000 2.630 671 L HA 0.533 4.873 4.340 -0.001 0.000 0.258 671 L C 0.397 177.273 176.870 0.011 0.000 1.072 671 L CA -0.495 54.352 54.840 0.012 0.000 0.885 671 L CB 1.938 44.002 42.059 0.009 0.000 1.502 671 L HN 0.203 nan 8.230 nan 0.000 0.406 672 E N 0.471 120.678 120.200 0.012 0.000 1.749 672 E HA -0.112 4.237 4.350 -0.001 0.000 0.252 672 E C 0.599 177.208 176.600 0.015 0.000 1.061 672 E CA 0.666 57.075 56.400 0.013 0.000 1.692 672 E CB -0.251 29.453 29.700 0.007 0.000 3.860 672 E HN 0.603 nan 8.360 nan 0.000 0.932 673 K N 1.534 121.938 120.400 0.006 0.000 2.432 673 K HA 0.176 4.496 4.320 -0.001 0.000 0.196 673 K C 0.270 176.882 176.600 0.021 0.000 1.038 673 K CA 0.453 56.741 56.287 0.002 0.000 0.986 673 K CB -0.177 32.318 32.500 -0.008 0.000 0.782 673 K HN -0.023 nan 8.250 nan 0.000 0.485 674 S N 3.362 119.076 115.700 0.023 0.000 2.422 674 S HA 0.081 4.551 4.470 -0.001 0.000 0.283 674 S C -0.266 174.358 174.600 0.040 0.000 1.163 674 S CA -0.331 57.886 58.200 0.028 0.000 1.054 674 S CB 0.384 63.596 63.200 0.019 0.000 0.967 674 S HN 0.275 nan 8.310 nan 0.000 0.499 675 D N 0.905 121.336 120.400 0.051 0.000 3.027 675 D HA -0.204 4.436 4.640 -0.001 0.000 0.224 675 D C -0.279 176.071 176.300 0.083 0.000 1.193 675 D CA 1.098 55.136 54.000 0.063 0.000 0.858 675 D CB -0.768 40.056 40.800 0.041 0.000 1.104 675 D HN 0.520 nan 8.370 nan 0.000 0.406 676 I N 0.278 120.911 120.570 0.105 0.000 2.354 676 I HA 0.454 4.623 4.170 -0.001 0.000 0.286 676 I C -0.397 175.886 176.117 0.276 0.000 1.007 676 I CA -0.730 60.650 61.300 0.134 0.000 1.167 676 I CB 1.082 39.134 38.000 0.086 0.000 1.320 676 I HN -0.114 nan 8.210 nan 0.000 0.458 677 F N 4.851 124.838 119.950 0.062 0.000 2.584 677 F HA 0.308 4.834 4.527 -0.001 0.000 0.294 677 F C 0.554 176.436 175.800 0.137 0.000 0.954 677 F CA 0.054 58.113 58.000 0.100 0.000 0.963 677 F CB -0.089 38.960 39.000 0.082 0.000 1.295 677 F HN 0.617 nan 8.300 nan 0.000 0.560 678 G N 4.004 112.562 108.800 -0.403 0.000 2.451 678 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.253 678 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.253 678 G C 0.786 175.706 174.900 0.032 0.000 1.033 678 G CA 0.773 45.745 45.100 -0.213 0.000 0.633 678 G HN 0.703 nan 8.290 nan 0.000 0.537 679 K N 0.745 121.167 120.400 0.037 0.000 2.168 679 K HA 0.217 4.537 4.320 -0.001 0.000 0.244 679 K C 0.582 177.221 176.600 0.066 0.000 1.065 679 K CA 0.395 56.714 56.287 0.052 0.000 0.808 679 K CB 0.129 32.660 32.500 0.053 0.000 1.080 679 K HN 0.424 nan 8.250 nan 0.000 0.526 680 E N 0.407 120.634 120.200 0.045 0.000 2.191 680 E HA 0.189 4.539 4.350 -0.001 0.000 0.274 680 E C -1.796 174.812 176.600 0.015 0.000 0.948 680 E CA -2.071 54.353 56.400 0.040 0.000 0.802 680 E CB 1.287 31.009 29.700 0.035 0.000 1.137 680 E HN 0.157 nan 8.360 nan 0.000 0.397 681 P HA -0.196 nan 4.420 nan 0.000 0.216 681 P C 1.055 178.348 177.300 -0.011 0.000 1.153 681 P CA 1.178 64.269 63.100 -0.015 0.000 0.858 681 P CB 0.316 32.004 31.700 -0.021 0.000 0.789 682 D N -0.410 119.988 120.400 -0.002 0.000 2.203 682 D HA -0.214 4.425 4.640 -0.001 0.000 0.199 682 D C 1.524 177.823 176.300 -0.002 0.000 0.997 682 D CA 1.323 55.322 54.000 -0.002 0.000 0.863 682 D CB 0.091 40.895 40.800 0.005 0.000 0.928 682 D HN 0.281 nan 8.370 nan 0.000 0.458 683 E N -0.508 119.694 120.200 0.003 0.000 2.022 683 E HA -0.030 4.319 4.350 -0.001 0.000 0.190 683 E C 2.449 179.048 176.600 -0.002 0.000 0.973 683 E CA 0.323 56.726 56.400 0.005 0.000 0.816 683 E CB -0.140 29.569 29.700 0.015 0.000 0.781 683 E HN 0.203 nan 8.360 nan 0.000 0.456 684 M N 0.779 120.378 119.600 -0.003 0.000 2.192 684 M HA -0.238 4.242 4.480 -0.001 0.000 0.256 684 M C 2.370 178.650 176.300 -0.034 0.000 1.076 684 M CA 1.092 56.385 55.300 -0.013 0.000 1.075 684 M CB -0.394 32.196 32.600 -0.017 0.000 1.368 684 M HN 0.131 nan 8.290 nan 0.000 0.406 685 L N 0.481 121.682 121.223 -0.037 0.000 1.994 685 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 685 L C 2.222 179.066 176.870 -0.042 0.000 1.071 685 L CA 2.041 56.850 54.840 -0.052 0.000 0.745 685 L CB -0.641 41.392 42.059 -0.044 0.000 0.892 685 L HN 0.117 nan 8.230 nan 0.000 0.431 686 E N -0.612 119.574 120.200 -0.024 0.000 2.106 686 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 686 E C 2.152 178.745 176.600 -0.011 0.000 0.984 686 E CA 1.227 57.619 56.400 -0.014 0.000 0.806 686 E CB -0.316 29.381 29.700 -0.005 0.000 0.750 686 E HN 0.533 nan 8.360 nan 0.000 0.458 687 L N -0.039 121.178 121.223 -0.010 0.000 1.989 687 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 687 L C 2.281 179.144 176.870 -0.012 0.000 1.071 687 L CA 1.228 56.065 54.840 -0.005 0.000 0.749 687 L CB -0.490 41.569 42.059 0.000 0.000 0.890 687 L HN 0.158 nan 8.230 nan 0.000 0.431 688 I N -1.179 119.372 120.570 -0.032 0.000 2.830 688 I HA -0.217 3.952 4.170 -0.001 0.000 0.263 688 I C 2.452 178.540 176.117 -0.048 0.000 1.230 688 I CA 0.549 61.819 61.300 -0.050 0.000 1.480 688 I CB -0.172 37.771 38.000 -0.096 0.000 1.095 688 I HN 0.342 nan 8.210 nan 0.000 0.455 689 M N 0.296 119.874 119.600 -0.036 0.000 2.236 689 M HA -0.125 4.355 4.480 -0.001 0.000 0.266 689 M C 1.778 178.091 176.300 0.022 0.000 1.070 689 M CA 1.628 56.919 55.300 -0.015 0.000 1.137 689 M CB -0.798 31.794 32.600 -0.013 0.000 1.378 689 M HN 0.210 nan 8.290 nan 0.000 0.426 690 D N 0.081 120.492 120.400 0.018 0.000 2.078 690 D HA -0.171 4.468 4.640 -0.001 0.000 0.193 690 D C 1.906 178.226 176.300 0.034 0.000 0.990 690 D CA 1.055 55.072 54.000 0.028 0.000 0.827 690 D CB -0.265 40.545 40.800 0.017 0.000 0.975 690 D HN 0.215 nan 8.370 nan 0.000 0.451 691 R N 0.876 121.390 120.500 0.023 0.000 2.134 691 R HA -0.170 4.169 4.340 -0.001 0.000 0.248 691 R C 2.320 178.652 176.300 0.052 0.000 1.143 691 R CA 0.699 56.816 56.100 0.028 0.000 0.957 691 R CB -1.218 29.093 30.300 0.018 0.000 0.867 691 R HN 0.330 nan 8.270 nan 0.000 0.441 692 I N 1.035 121.642 120.570 0.062 0.000 2.179 692 I HA -0.218 3.952 4.170 -0.001 0.000 0.242 692 I C 2.458 178.681 176.117 0.176 0.000 1.088 692 I CA 0.982 62.348 61.300 0.110 0.000 1.357 692 I CB -0.880 37.177 38.000 0.094 0.000 1.051 692 I HN -0.002 nan 8.210 nan 0.000 0.409 693 I N 0.909 121.584 120.570 0.174 0.000 2.163 693 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 693 I C 2.535 178.663 176.117 0.018 0.000 1.085 693 I CA 1.672 63.117 61.300 0.241 0.000 1.347 693 I CB -1.806 36.289 38.000 0.158 0.000 1.044 693 I HN 0.231 nan 8.210 nan 0.000 0.408 694 T N 0.639 115.193 114.554 -0.001 0.000 2.821 694 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 694 T C 1.889 176.579 174.700 -0.017 0.000 1.046 694 T CA 1.419 63.489 62.100 -0.049 0.000 1.139 694 T CB -0.155 68.704 68.868 -0.016 0.000 0.871 694 T HN 0.116 nan 8.240 nan 0.000 0.454 695 K N 1.205 121.636 120.400 0.052 0.000 2.147 695 K HA -0.131 4.189 4.320 -0.001 0.000 0.205 695 K C 1.967 178.647 176.600 0.134 0.000 1.049 695 K CA 1.287 57.626 56.287 0.087 0.000 0.936 695 K CB -0.532 32.030 32.500 0.103 0.000 0.722 695 K HN 0.604 nan 8.250 nan 0.000 0.446 696 Y N -0.163 120.172 120.300 0.058 0.000 2.262 696 Y HA 0.171 4.720 4.550 -0.001 0.000 0.295 696 Y C 1.490 177.432 175.900 0.071 0.000 1.121 696 Y CA 1.044 59.184 58.100 0.066 0.000 1.144 696 Y CB -0.812 37.688 38.460 0.065 0.000 1.043 696 Y HN 0.021 nan 8.280 nan 0.000 0.528 697 N N 1.404 119.722 118.700 -0.637 0.000 2.094 697 N HA -0.248 4.492 4.740 -0.001 0.000 0.191 697 N C 1.807 177.232 175.510 -0.141 0.000 1.023 697 N CA 1.773 54.484 53.050 -0.565 0.000 0.857 697 N CB -0.434 37.760 38.487 -0.488 0.000 1.013 697 N HN 0.765 nan 8.380 nan 0.000 0.426 698 E N 1.534 121.707 120.200 -0.045 0.000 2.000 698 E HA -0.228 4.122 4.350 -0.001 0.000 0.199 698 E C 1.926 178.646 176.600 0.201 0.000 1.011 698 E CA 1.399 57.843 56.400 0.072 0.000 0.836 698 E CB -0.128 29.631 29.700 0.098 0.000 0.778 698 E HN 0.140 nan 8.360 nan 0.000 0.462 699 K N 0.573 121.098 120.400 0.209 0.000 2.089 699 K HA -0.284 4.035 4.320 -0.001 0.000 0.210 699 K C 2.247 178.997 176.600 0.250 0.000 1.048 699 K CA 1.987 58.402 56.287 0.213 0.000 0.926 699 K CB -0.176 32.328 32.500 0.007 0.000 0.714 699 K HN 0.303 nan 8.250 nan 0.000 0.448 700 E N 0.550 120.872 120.200 0.203 0.000 2.007 700 E HA -0.294 4.055 4.350 -0.001 0.000 0.203 700 E C 2.009 178.691 176.600 0.136 0.000 1.020 700 E CA 1.950 58.466 56.400 0.193 0.000 0.845 700 E CB -0.145 29.682 29.700 0.211 0.000 0.779 700 E HN 0.399 nan 8.360 nan 0.000 0.466 701 E N -0.402 119.845 120.200 0.078 0.000 2.107 701 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 701 E C 2.261 178.868 176.600 0.012 0.000 0.982 701 E CA 0.941 57.362 56.400 0.035 0.000 0.809 701 E CB 0.061 29.759 29.700 -0.004 0.000 0.756 701 E HN 0.358 nan 8.360 nan 0.000 0.459 702 Q N -0.936 118.878 119.800 0.024 0.000 2.119 702 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 702 Q C 1.207 177.023 176.000 -0.306 0.000 0.972 702 Q CA 1.256 56.975 55.803 -0.141 0.000 0.847 702 Q CB 0.104 28.753 28.738 -0.149 0.000 0.903 702 Q HN 0.339 nan 8.270 nan 0.000 0.433 703 F N -1.265 118.664 119.950 -0.034 0.000 2.704 703 F HA 0.367 4.893 4.527 -0.001 0.000 0.304 703 F C 0.539 176.310 175.800 -0.048 0.000 1.094 703 F CA 0.187 58.157 58.000 -0.051 0.000 1.275 703 F CB 1.676 40.627 39.000 -0.082 0.000 1.073 703 F HN -0.071 nan 8.300 nan 0.000 0.586 704 G N 0.670 109.540 108.800 0.117 0.000 2.151 704 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.183 704 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.183 704 G C 0.062 175.010 174.900 0.079 0.000 1.472 704 G CA -0.862 44.281 45.100 0.072 0.000 1.060 704 G HN 0.024 nan 8.290 nan 0.000 0.641 705 K N 0.599 121.037 120.400 0.064 0.000 1.973 705 K HA -0.060 4.260 4.320 -0.001 0.000 0.210 705 K C 2.150 178.795 176.600 0.076 0.000 1.045 705 K CA 1.848 58.178 56.287 0.072 0.000 0.937 705 K CB 0.065 32.596 32.500 0.052 0.000 0.721 705 K HN 0.623 nan 8.250 nan 0.000 0.438 706 E N 0.451 120.687 120.200 0.059 0.000 2.204 706 E HA -0.170 4.179 4.350 -0.001 0.000 0.195 706 E C 2.010 178.655 176.600 0.074 0.000 0.990 706 E CA 0.747 57.182 56.400 0.059 0.000 0.821 706 E CB 0.141 29.869 29.700 0.046 0.000 0.750 706 E HN 0.216 nan 8.360 nan 0.000 0.477 707 Q N -0.324 119.522 119.800 0.076 0.000 2.297 707 Q HA -0.075 4.265 4.340 -0.001 0.000 0.204 707 Q C 1.896 177.979 176.000 0.139 0.000 0.962 707 Q CA 0.795 56.651 55.803 0.089 0.000 0.879 707 Q CB -0.032 28.741 28.738 0.059 0.000 0.947 707 Q HN 0.286 nan 8.270 nan 0.000 0.462 708 M N 0.188 119.875 119.600 0.145 0.000 2.248 708 M HA 0.004 4.484 4.480 -0.001 0.000 0.265 708 M C 1.647 178.064 176.300 0.194 0.000 1.079 708 M CA 1.338 56.768 55.300 0.217 0.000 1.150 708 M CB -0.025 32.691 32.600 0.192 0.000 1.366 708 M HN -0.138 nan 8.290 nan 0.000 0.433 709 R N 0.486 121.058 120.500 0.120 0.000 2.127 709 R HA -0.082 4.257 4.340 -0.001 0.000 0.238 709 R C 1.896 178.227 176.300 0.053 0.000 1.134 709 R CA 1.143 57.284 56.100 0.069 0.000 0.975 709 R CB -0.810 29.520 30.300 0.051 0.000 0.865 709 R HN 0.464 nan 8.270 nan 0.000 0.447 710 E N -0.685 119.567 120.200 0.086 0.000 2.250 710 E HA -0.036 4.314 4.350 -0.001 0.000 0.192 710 E C 1.592 178.254 176.600 0.103 0.000 0.986 710 E CA 0.124 56.565 56.400 0.069 0.000 0.849 710 E CB -0.230 29.521 29.700 0.085 0.000 0.797 710 E HN 0.157 nan 8.360 nan 0.000 0.482 711 F N 2.546 122.494 119.950 -0.003 0.000 2.134 711 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 711 F C 1.861 177.651 175.800 -0.017 0.000 1.097 711 F CA 1.479 59.475 58.000 -0.007 0.000 1.264 711 F CB -0.026 38.975 39.000 0.002 0.000 1.001 711 F HN -0.051 nan 8.300 nan 0.000 0.479 712 E N 0.163 120.290 120.200 -0.122 0.000 2.006 712 E HA -0.252 4.097 4.350 -0.001 0.000 0.192 712 E C 2.096 178.578 176.600 -0.197 0.000 0.993 712 E CA 1.365 57.624 56.400 -0.235 0.000 0.808 712 E CB -0.327 29.310 29.700 -0.106 0.000 0.764 712 E HN 0.098 nan 8.360 nan 0.000 0.449 713 K N 0.773 121.099 120.400 -0.122 0.000 2.184 713 K HA -0.240 4.080 4.320 -0.001 0.000 0.210 713 K C 1.752 178.258 176.600 -0.156 0.000 1.048 713 K CA 1.588 57.796 56.287 -0.132 0.000 0.931 713 K CB -0.500 31.933 32.500 -0.112 0.000 0.718 713 K HN 0.020 nan 8.250 nan 0.000 0.465 714 V N 0.271 120.095 119.914 -0.150 0.000 2.331 714 V HA -0.146 3.973 4.120 -0.001 0.000 0.242 714 V C 2.194 178.200 176.094 -0.147 0.000 1.034 714 V CA 1.351 63.567 62.300 -0.140 0.000 1.027 714 V CB -0.389 31.379 31.823 -0.092 0.000 0.667 714 V HN 0.245 nan 8.190 nan 0.000 0.457 715 I N 0.303 120.742 120.570 -0.218 0.000 2.300 715 I HA -0.231 3.939 4.170 -0.001 0.000 0.252 715 I C 2.356 178.388 176.117 -0.142 0.000 1.119 715 I CA 1.637 62.821 61.300 -0.194 0.000 1.384 715 I CB -1.110 36.658 38.000 -0.386 0.000 1.062 715 I HN 0.164 nan 8.210 nan 0.000 0.426 716 V N 0.481 120.296 119.914 -0.165 0.000 2.273 716 V HA -0.202 3.917 4.120 -0.001 0.000 0.242 716 V C 2.555 178.578 176.094 -0.117 0.000 1.035 716 V CA 1.077 63.291 62.300 -0.144 0.000 1.013 716 V CB -0.448 31.287 31.823 -0.146 0.000 0.652 716 V HN 0.248 nan 8.190 nan 0.000 0.452 717 L N 0.634 121.786 121.223 -0.119 0.000 1.991 717 L HA -0.307 4.033 4.340 -0.001 0.000 0.221 717 L C 2.913 179.742 176.870 -0.068 0.000 1.079 717 L CA 2.675 57.453 54.840 -0.104 0.000 0.778 717 L CB -0.888 41.096 42.059 -0.125 0.000 0.893 717 L HN 0.465 nan 8.230 nan 0.000 0.437 718 R N 0.458 120.925 120.500 -0.055 0.000 2.117 718 R HA -0.197 4.143 4.340 -0.001 0.000 0.243 718 R C 2.209 178.503 176.300 -0.010 0.000 1.143 718 R CA 1.509 57.601 56.100 -0.014 0.000 0.968 718 R CB -0.915 29.393 30.300 0.013 0.000 0.863 718 R HN 0.332 nan 8.270 nan 0.000 0.444 719 A N 1.531 124.322 122.820 -0.048 0.000 1.877 719 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 719 A C 2.463 180.010 177.584 -0.062 0.000 1.186 719 A CA 1.587 53.572 52.037 -0.086 0.000 0.620 719 A CB -0.625 18.287 19.000 -0.147 0.000 0.822 719 A HN 0.170 nan 8.150 nan 0.000 0.443 720 V N 0.869 120.748 119.914 -0.057 0.000 2.214 720 V HA -0.286 3.834 4.120 -0.001 0.000 0.245 720 V C 2.303 178.435 176.094 0.064 0.000 1.047 720 V CA 2.429 64.711 62.300 -0.030 0.000 0.998 720 V CB -0.931 30.858 31.823 -0.057 0.000 0.633 720 V HN 0.559 nan 8.190 nan 0.000 0.446 721 D N -0.138 120.301 120.400 0.065 0.000 2.126 721 D HA -0.220 4.420 4.640 -0.001 0.000 0.190 721 D C 2.374 178.775 176.300 0.168 0.000 1.001 721 D CA 2.029 56.118 54.000 0.148 0.000 0.841 721 D CB -0.603 40.246 40.800 0.082 0.000 0.949 721 D HN 0.435 nan 8.370 nan 0.000 0.446 722 S N 0.056 115.810 115.700 0.091 0.000 2.359 722 S HA -0.194 4.275 4.470 -0.001 0.000 0.223 722 S C 1.738 176.390 174.600 0.087 0.000 1.039 722 S CA 1.440 59.685 58.200 0.075 0.000 1.042 722 S CB 0.012 63.235 63.200 0.038 0.000 0.915 722 S HN 0.045 nan 8.310 nan 0.000 0.439 723 K N 0.421 120.866 120.400 0.076 0.000 2.155 723 K HA -0.038 4.282 4.320 -0.001 0.000 0.203 723 K C 1.855 178.572 176.600 0.194 0.000 1.052 723 K CA 0.821 57.151 56.287 0.073 0.000 0.948 723 K CB -0.822 31.667 32.500 -0.019 0.000 0.728 723 K HN 0.723 nan 8.250 nan 0.000 0.448 724 W N 1.653 122.972 121.300 0.033 0.000 2.355 724 W HA -0.197 4.463 4.660 -0.001 0.000 0.309 724 W C 1.903 178.507 176.519 0.142 0.000 1.206 724 W CA 0.916 58.328 57.345 0.112 0.000 1.284 724 W CB -0.116 29.426 29.460 0.135 0.000 1.145 724 W HN 0.040 nan 8.180 nan 0.000 0.502 725 M N 1.107 120.768 119.600 0.101 0.000 2.073 725 M HA -0.266 4.213 4.480 -0.001 0.000 0.258 725 M C 1.600 177.854 176.300 -0.077 0.000 1.070 725 M CA 2.526 57.798 55.300 -0.048 0.000 1.103 725 M CB -0.865 31.762 32.600 0.045 0.000 1.321 725 M HN -0.114 nan 8.290 nan 0.000 0.405 726 D N -1.039 119.365 120.400 0.006 0.000 2.123 726 D HA -0.243 4.396 4.640 -0.001 0.000 0.196 726 D C 1.852 178.149 176.300 -0.004 0.000 0.992 726 D CA 1.721 55.727 54.000 0.010 0.000 0.833 726 D CB -0.716 40.112 40.800 0.046 0.000 0.954 726 D HN 0.578 nan 8.370 nan 0.000 0.455 727 H N 0.914 119.922 119.070 -0.103 0.000 2.321 727 H HA -0.015 4.540 4.556 -0.001 0.000 0.300 727 H C 2.246 177.412 175.328 -0.269 0.000 1.087 727 H CA 1.122 57.092 56.048 -0.131 0.000 1.319 727 H CB -0.440 29.301 29.762 -0.035 0.000 1.379 727 H HN 0.071 nan 8.280 nan 0.000 0.501 728 I N -0.076 120.161 120.570 -0.555 0.000 2.151 728 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 728 I C 2.219 178.131 176.117 -0.341 0.000 1.080 728 I CA 2.003 62.943 61.300 -0.600 0.000 1.339 728 I CB -0.299 37.330 38.000 -0.619 0.000 1.039 728 I HN 0.356 nan 8.210 nan 0.000 0.409 729 D N 0.648 120.906 120.400 -0.236 0.000 2.097 729 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 729 D C 2.171 178.383 176.300 -0.146 0.000 0.984 729 D CA 1.479 55.391 54.000 -0.148 0.000 0.826 729 D CB 0.038 40.787 40.800 -0.084 0.000 0.973 729 D HN 0.289 nan 8.370 nan 0.000 0.460 730 A N 0.018 122.752 122.820 -0.143 0.000 1.969 730 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 730 A C 2.120 179.616 177.584 -0.147 0.000 1.169 730 A CA 1.057 53.021 52.037 -0.121 0.000 0.635 730 A CB -0.481 18.471 19.000 -0.079 0.000 0.810 730 A HN 0.241 nan 8.150 nan 0.000 0.445 731 M N -0.220 119.228 119.600 -0.254 0.000 2.279 731 M HA -0.118 4.361 4.480 -0.001 0.000 0.264 731 M C 1.647 177.912 176.300 -0.057 0.000 1.062 731 M CA 1.755 56.923 55.300 -0.220 0.000 1.099 731 M CB -1.149 31.183 32.600 -0.446 0.000 1.394 731 M HN 0.574 nan 8.290 nan 0.000 0.426 732 D N -0.273 120.062 120.400 -0.109 0.000 2.120 732 D HA -0.128 4.512 4.640 -0.001 0.000 0.202 732 D C 1.921 178.161 176.300 -0.100 0.000 0.972 732 D CA 1.278 55.230 54.000 -0.079 0.000 0.837 732 D CB 0.011 40.752 40.800 -0.100 0.000 0.989 732 D HN 0.356 nan 8.370 nan 0.000 0.469 733 Q N -0.548 119.153 119.800 -0.165 0.000 2.152 733 Q HA -0.155 4.184 4.340 -0.001 0.000 0.206 733 Q C 2.135 178.056 176.000 -0.133 0.000 0.985 733 Q CA 1.094 56.729 55.803 -0.281 0.000 0.863 733 Q CB -0.165 28.365 28.738 -0.346 0.000 0.904 733 Q HN 0.306 nan 8.270 nan 0.000 0.422 734 L N 0.734 121.936 121.223 -0.035 0.000 1.994 734 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 734 L C 2.357 179.282 176.870 0.093 0.000 1.071 734 L CA 1.852 56.728 54.840 0.060 0.000 0.745 734 L CB -0.448 41.683 42.059 0.119 0.000 0.892 734 L HN 0.039 nan 8.230 nan 0.000 0.431 735 R N -0.896 119.661 120.500 0.095 0.000 2.091 735 R HA -0.222 4.117 4.340 -0.001 0.000 0.238 735 R C 2.332 178.568 176.300 -0.108 0.000 1.136 735 R CA 2.074 58.094 56.100 -0.132 0.000 0.959 735 R CB -0.282 29.886 30.300 -0.220 0.000 0.856 735 R HN 0.561 nan 8.270 nan 0.000 0.437 736 Q N -1.253 118.508 119.800 -0.065 0.000 2.096 736 Q HA -0.104 4.236 4.340 -0.001 0.000 0.204 736 Q C 1.315 177.354 176.000 0.066 0.000 0.982 736 Q CA 1.490 57.275 55.803 -0.031 0.000 0.850 736 Q CB 0.000 28.713 28.738 -0.042 0.000 0.901 736 Q HN 0.502 nan 8.270 nan 0.000 0.422 737 G N -0.275 108.570 108.800 0.075 0.000 3.936 737 G HA2 0.140 4.099 3.960 -0.001 0.000 0.296 737 G HA3 0.140 4.099 3.960 -0.001 0.000 0.296 737 G C 0.674 175.596 174.900 0.038 0.000 1.121 737 G CA -0.399 44.774 45.100 0.121 0.000 0.899 737 G HN 0.244 nan 8.290 nan 0.000 0.542 738 I N 0.942 121.559 120.570 0.079 0.000 2.830 738 I HA -0.084 4.085 4.170 -0.001 0.000 0.263 738 I C 2.473 178.593 176.117 0.005 0.000 1.230 738 I CA 0.671 61.994 61.300 0.039 0.000 1.480 738 I CB 0.066 38.115 38.000 0.082 0.000 1.095 738 I HN 0.452 nan 8.210 nan 0.000 0.455 739 H N 0.367 119.420 119.070 -0.029 0.000 2.495 739 H HA -0.054 4.501 4.556 -0.001 0.000 0.287 739 H C 1.940 177.236 175.328 -0.053 0.000 1.033 739 H CA 0.635 56.663 56.048 -0.033 0.000 1.307 739 H CB -0.661 29.085 29.762 -0.026 0.000 1.401 739 H HN 0.357 nan 8.280 nan 0.000 0.555 740 L N 0.217 120.984 121.223 -0.760 0.000 2.313 740 L HA 0.027 4.366 4.340 -0.001 0.000 0.214 740 L C 2.354 178.996 176.870 -0.380 0.000 1.119 740 L CA 0.737 55.262 54.840 -0.525 0.000 0.809 740 L CB -0.053 41.780 42.059 -0.376 0.000 0.933 740 L HN 0.165 nan 8.230 nan 0.000 0.449 741 R N -0.455 119.817 120.500 -0.379 0.000 2.265 741 R HA 0.236 4.576 4.340 -0.001 0.000 0.194 741 R C 0.641 176.645 176.300 -0.494 0.000 0.931 741 R CA 0.089 55.861 56.100 -0.546 0.000 1.032 741 R CB 0.354 30.428 30.300 -0.376 0.000 0.980 741 R HN 0.147 nan 8.270 nan 0.000 0.497 742 A N 0.112 122.744 122.820 -0.314 0.000 2.293 742 A HA 0.442 4.761 4.320 -0.001 0.000 0.302 742 A C -0.984 176.446 177.584 -0.257 0.000 1.119 742 A CA -0.461 51.444 52.037 -0.221 0.000 0.823 742 A CB 0.301 19.270 19.000 -0.052 0.000 1.097 742 A HN 0.132 nan 8.150 nan 0.000 0.491 743 Y N 0.714 120.987 120.300 -0.044 0.000 2.307 743 Y HA 0.373 4.922 4.550 -0.001 0.000 0.324 743 Y C 1.725 177.624 175.900 -0.002 0.000 1.238 743 Y CA 0.495 58.580 58.100 -0.025 0.000 1.280 743 Y CB 1.209 39.657 38.460 -0.020 0.000 1.248 743 Y HN 0.931 nan 8.280 nan 0.000 0.508 744 A N 1.838 124.778 122.820 0.201 0.000 1.861 744 A HA -0.409 3.910 4.320 -0.001 0.000 0.248 744 A C 1.863 179.502 177.584 0.092 0.000 2.075 744 A CA 2.980 55.089 52.037 0.120 0.000 0.818 744 A CB -1.040 18.022 19.000 0.104 0.000 0.844 744 A HN 0.953 nan 8.150 nan 0.000 0.498 745 Q N -1.400 118.452 119.800 0.086 0.000 2.096 745 Q HA 0.014 4.354 4.340 -0.001 0.000 0.197 745 Q C 0.608 176.647 176.000 0.064 0.000 0.964 745 Q CA 0.759 56.598 55.803 0.060 0.000 0.838 745 Q CB -0.479 28.284 28.738 0.041 0.000 0.906 745 Q HN 0.653 nan 8.270 nan 0.000 0.444 746 T N 2.408 117.013 114.554 0.086 0.000 2.923 746 T HA -0.114 4.236 4.350 -0.001 0.000 0.320 746 T C 0.047 174.787 174.700 0.067 0.000 1.074 746 T CA 0.277 62.425 62.100 0.080 0.000 1.131 746 T CB 0.071 69.010 68.868 0.117 0.000 1.058 746 T HN 0.255 nan 8.240 nan 0.000 0.535 747 N N 2.983 121.717 118.700 0.056 0.000 2.419 747 N HA 0.163 4.903 4.740 -0.001 0.000 0.264 747 N C -1.747 173.803 175.510 0.067 0.000 1.031 747 N CA -2.119 50.968 53.050 0.061 0.000 0.951 747 N CB 1.170 39.685 38.487 0.047 0.000 1.101 747 N HN 0.231 nan 8.380 nan 0.000 0.488 748 P HA -0.205 nan 4.420 nan 0.000 0.217 748 P C 1.613 178.968 177.300 0.092 0.000 1.148 748 P CA 0.483 63.653 63.100 0.116 0.000 0.828 748 P CB 0.243 32.045 31.700 0.171 0.000 0.783 749 L N -0.377 120.859 121.223 0.021 0.000 1.997 749 L HA -0.251 4.088 4.340 -0.001 0.000 0.216 749 L C 2.400 179.191 176.870 -0.131 0.000 1.074 749 L CA 2.141 56.803 54.840 -0.297 0.000 0.763 749 L CB -0.738 41.122 42.059 -0.331 0.000 0.890 749 L HN -0.015 nan 8.230 nan 0.000 0.434 750 R N 0.361 120.828 120.500 -0.055 0.000 2.080 750 R HA -0.249 4.091 4.340 -0.001 0.000 0.236 750 R C 2.111 178.411 176.300 -0.001 0.000 1.137 750 R CA 2.040 58.120 56.100 -0.032 0.000 0.943 750 R CB -0.698 29.594 30.300 -0.013 0.000 0.846 750 R HN 0.448 nan 8.270 nan 0.000 0.431 751 E N -0.588 119.628 120.200 0.027 0.000 2.209 751 E HA -0.216 4.134 4.350 -0.001 0.000 0.196 751 E C 1.742 178.393 176.600 0.085 0.000 0.993 751 E CA 1.215 57.639 56.400 0.039 0.000 0.819 751 E CB -0.396 29.317 29.700 0.022 0.000 0.745 751 E HN 0.401 nan 8.360 nan 0.000 0.477 752 Y N 0.637 120.908 120.300 -0.049 0.000 2.243 752 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 752 Y C 1.964 177.845 175.900 -0.032 0.000 1.124 752 Y CA 1.718 59.798 58.100 -0.033 0.000 1.159 752 Y CB -0.237 38.195 38.460 -0.047 0.000 1.008 752 Y HN 0.064 nan 8.280 nan 0.000 0.527 753 Q N -0.509 119.250 119.800 -0.068 0.000 2.050 753 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 753 Q C 2.424 178.391 176.000 -0.055 0.000 0.980 753 Q CA 1.975 57.700 55.803 -0.129 0.000 0.840 753 Q CB -0.250 28.431 28.738 -0.095 0.000 0.898 753 Q HN 0.490 nan 8.270 nan 0.000 0.424 754 M N 0.845 120.440 119.600 -0.009 0.000 2.059 754 M HA -0.226 4.254 4.480 -0.001 0.000 0.259 754 M C 1.665 178.015 176.300 0.083 0.000 1.072 754 M CA 1.836 57.169 55.300 0.055 0.000 1.117 754 M CB -0.215 32.407 32.600 0.037 0.000 1.320 754 M HN 0.185 nan 8.290 nan 0.000 0.408 755 E N -0.623 119.593 120.200 0.025 0.000 2.153 755 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 755 E C 1.826 178.419 176.600 -0.011 0.000 0.988 755 E CA 1.014 57.422 56.400 0.014 0.000 0.811 755 E CB -0.333 29.372 29.700 0.010 0.000 0.746 755 E HN 0.743 nan 8.360 nan 0.000 0.466 756 G N 0.712 109.448 108.800 -0.107 0.000 2.432 756 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 756 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 756 G C 1.309 176.242 174.900 0.056 0.000 1.135 756 G CA 0.336 45.346 45.100 -0.150 0.000 0.767 756 G HN 0.236 nan 8.290 nan 0.000 0.550 757 F N 2.340 122.264 119.950 -0.043 0.000 2.163 757 F HA 0.235 4.761 4.527 -0.000 0.000 0.297 757 F C 2.698 178.553 175.800 0.091 0.000 1.094 757 F CA 0.988 58.998 58.000 0.018 0.000 1.290 757 F CB -0.399 38.586 39.000 -0.025 0.000 1.017 757 F HN 0.200 nan 8.300 nan 0.000 0.483 758 A N 0.449 123.230 122.820 -0.065 0.000 1.978 758 A HA -0.234 4.086 4.320 -0.001 0.000 0.220 758 A C 2.381 179.916 177.584 -0.082 0.000 1.170 758 A CA 1.919 53.884 52.037 -0.119 0.000 0.636 758 A CB -0.923 18.075 19.000 -0.003 0.000 0.810 758 A HN 0.595 nan 8.150 nan 0.000 0.448 759 M N -2.394 117.214 119.600 0.014 0.000 2.288 759 M HA 0.025 4.504 4.480 -0.001 0.000 0.266 759 M C 1.856 178.203 176.300 0.077 0.000 1.072 759 M CA 1.401 56.763 55.300 0.102 0.000 1.132 759 M CB -0.133 32.594 32.600 0.213 0.000 1.386 759 M HN 0.424 nan 8.290 nan 0.000 0.432 760 F N 1.371 121.252 119.950 -0.116 0.000 2.171 760 F HA -0.192 4.335 4.527 -0.001 0.000 0.300 760 F C 2.068 177.697 175.800 -0.284 0.000 1.090 760 F CA 1.830 59.664 58.000 -0.278 0.000 1.293 760 F CB -0.179 38.710 39.000 -0.185 0.000 1.013 760 F HN 0.206 nan 8.300 nan 0.000 0.486 761 E N -1.003 119.067 120.200 -0.217 0.000 2.038 761 E HA -0.345 4.004 4.350 -0.001 0.000 0.195 761 E C 2.092 178.558 176.600 -0.224 0.000 1.000 761 E CA 1.743 57.992 56.400 -0.251 0.000 0.803 761 E CB -0.616 28.920 29.700 -0.273 0.000 0.750 761 E HN 0.552 nan 8.360 nan 0.000 0.448 762 H N 0.760 119.692 119.070 -0.230 0.000 2.321 762 H HA -0.158 4.397 4.556 -0.001 0.000 0.295 762 H C 2.084 177.265 175.328 -0.244 0.000 1.102 762 H CA 2.253 58.182 56.048 -0.198 0.000 1.266 762 H CB -0.146 29.526 29.762 -0.150 0.000 1.363 762 H HN 0.089 nan 8.280 nan 0.000 0.492 763 M N -0.431 118.972 119.600 -0.327 0.000 2.296 763 M HA -0.118 4.362 4.480 -0.001 0.000 0.265 763 M C 1.116 177.129 176.300 -0.478 0.000 1.064 763 M CA 1.254 56.294 55.300 -0.433 0.000 1.109 763 M CB 0.130 32.359 32.600 -0.618 0.000 1.396 763 M HN 0.324 nan 8.290 nan 0.000 0.430 764 I N 0.438 120.700 120.570 -0.513 0.000 2.406 764 I HA -0.175 3.994 4.170 -0.001 0.000 0.249 764 I C 2.015 177.954 176.117 -0.297 0.000 1.122 764 I CA 1.336 62.400 61.300 -0.394 0.000 1.431 764 I CB -1.505 36.297 38.000 -0.330 0.000 1.087 764 I HN 0.362 nan 8.210 nan 0.000 0.424 765 E N 0.779 120.797 120.200 -0.303 0.000 2.110 765 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 765 E C 2.310 178.733 176.600 -0.295 0.000 0.988 765 E CA 1.522 57.765 56.400 -0.262 0.000 0.804 765 E CB -0.001 29.547 29.700 -0.253 0.000 0.745 765 E HN 0.351 nan 8.360 nan 0.000 0.458 766 S N 0.796 116.260 115.700 -0.393 0.000 2.383 766 S HA -0.097 4.372 4.470 -0.001 0.000 0.227 766 S C 2.017 176.453 174.600 -0.273 0.000 1.026 766 S CA 0.707 58.697 58.200 -0.350 0.000 0.981 766 S CB -0.113 62.853 63.200 -0.389 0.000 0.818 766 S HN 0.214 nan 8.310 nan 0.000 0.472 767 I N 1.356 121.769 120.570 -0.261 0.000 2.315 767 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 767 I C 2.552 178.535 176.117 -0.224 0.000 1.117 767 I CA 1.197 62.362 61.300 -0.225 0.000 1.404 767 I CB -0.344 37.532 38.000 -0.206 0.000 1.071 767 I HN 0.325 nan 8.210 nan 0.000 0.419 768 E N 0.895 120.970 120.200 -0.209 0.000 2.051 768 E HA -0.223 4.126 4.350 -0.001 0.000 0.192 768 E C 1.706 178.196 176.600 -0.184 0.000 0.991 768 E CA 1.463 57.758 56.400 -0.174 0.000 0.799 768 E CB 0.012 29.627 29.700 -0.141 0.000 0.748 768 E HN 0.454 nan 8.360 nan 0.000 0.449 769 D N 0.255 120.536 120.400 -0.198 0.000 2.178 769 D HA -0.176 4.463 4.640 -0.001 0.000 0.201 769 D C 1.753 177.861 176.300 -0.319 0.000 0.980 769 D CA 0.847 54.720 54.000 -0.211 0.000 0.842 769 D CB -0.180 40.510 40.800 -0.183 0.000 0.948 769 D HN 0.289 nan 8.370 nan 0.000 0.472 770 E N 0.761 120.736 120.200 -0.375 0.000 2.015 770 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 770 E C 1.923 178.165 176.600 -0.597 0.000 0.991 770 E CA 0.619 56.656 56.400 -0.606 0.000 0.802 770 E CB 0.115 29.469 29.700 -0.577 0.000 0.759 770 E HN -0.081 nan 8.360 nan 0.000 0.447 771 V N 1.172 120.858 119.914 -0.381 0.000 3.140 771 V HA -0.219 3.900 4.120 -0.001 0.000 0.269 771 V C 1.956 177.917 176.094 -0.221 0.000 1.149 771 V CA 1.417 63.554 62.300 -0.271 0.000 1.162 771 V CB -0.575 31.125 31.823 -0.206 0.000 0.756 771 V HN 0.439 nan 8.190 nan 0.000 0.523 772 A N -0.393 122.274 122.820 -0.254 0.000 1.871 772 A HA -0.057 4.262 4.320 -0.001 0.000 0.211 772 A C 2.277 179.674 177.584 -0.311 0.000 1.207 772 A CA 1.322 53.222 52.037 -0.227 0.000 0.620 772 A CB -0.288 18.584 19.000 -0.213 0.000 0.860 772 A HN 0.423 nan 8.150 nan 0.000 0.450 773 K N -0.596 119.578 120.400 -0.376 0.000 1.965 773 K HA -0.083 4.236 4.320 -0.001 0.000 0.214 773 K C 1.798 178.426 176.600 0.046 0.000 1.046 773 K CA 1.786 57.920 56.287 -0.255 0.000 0.944 773 K CB -0.479 31.904 32.500 -0.195 0.000 0.726 773 K HN 0.490 nan 8.250 nan 0.000 0.441 774 F N 0.624 120.488 119.950 -0.142 0.000 2.111 774 F HA -0.317 4.210 4.527 -0.001 0.000 0.300 774 F C 2.330 178.109 175.800 -0.036 0.000 1.088 774 F CA 0.683 58.630 58.000 -0.088 0.000 1.243 774 F CB -0.297 38.627 39.000 -0.126 0.000 0.996 774 F HN -0.029 nan 8.300 nan 0.000 0.483 775 V N -0.536 119.437 119.914 0.098 0.000 2.379 775 V HA -0.304 3.815 4.120 -0.001 0.000 0.245 775 V C 2.055 178.270 176.094 0.201 0.000 1.044 775 V CA 1.706 64.061 62.300 0.091 0.000 1.036 775 V CB -0.394 31.404 31.823 -0.042 0.000 0.664 775 V HN 0.271 nan 8.190 nan 0.000 0.453 776 M N -1.263 118.397 119.600 0.099 0.000 2.419 776 M HA 0.001 4.480 4.480 -0.001 0.000 0.264 776 M C 1.746 178.091 176.300 0.074 0.000 1.082 776 M CA 1.456 56.814 55.300 0.097 0.000 1.119 776 M CB -0.145 32.506 32.600 0.085 0.000 1.398 776 M HN 0.099 nan 8.290 nan 0.000 0.453 777 K N 0.006 120.450 120.400 0.074 0.000 2.530 777 K HA 0.406 4.726 4.320 -0.001 0.000 0.218 777 K C 0.689 177.299 176.600 0.017 0.000 1.064 777 K CA 0.647 56.956 56.287 0.037 0.000 1.084 777 K CB -1.252 31.267 32.500 0.031 0.000 1.392 777 K HN 0.147 nan 8.250 nan 0.000 0.465 778 A N 2.284 125.120 122.820 0.026 0.000 2.644 778 A HA -0.111 4.208 4.320 -0.001 0.000 0.230 778 A C -0.089 177.462 177.584 -0.056 0.000 1.080 778 A CA 0.886 52.913 52.037 -0.017 0.000 0.773 778 A CB -0.268 18.702 19.000 -0.050 0.000 1.007 778 A HN 0.367 nan 8.150 nan 0.000 0.512 779 E N 0.040 120.155 120.200 -0.142 0.000 2.281 779 E HA 0.574 4.924 4.350 -0.001 0.000 0.262 779 E C -0.329 176.142 176.600 -0.215 0.000 0.933 779 E CA -0.846 55.381 56.400 -0.289 0.000 0.809 779 E CB 1.229 30.778 29.700 -0.253 0.000 1.242 779 E HN 0.588 nan 8.360 nan 0.000 0.418 780 I N 0.000 120.391 120.570 -0.298 0.000 2.984 780 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 780 I CA 0.000 61.224 61.300 -0.126 0.000 1.566 780 I CB 0.000 37.923 38.000 -0.128 0.000 1.214 780 I HN 0.000 nan 8.210 nan 0.000 0.494