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 1tf5_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 AAYTPREELP 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 0.000 175.332 175.328 0.007 0.000 0.993 0 H CA 0.000 56.053 56.048 0.007 0.000 1.023 0 H CB 0.000 29.766 29.762 0.007 0.000 1.292 1 M N 1.753 121.456 119.600 0.173 0.000 2.175 1 M HA 0.052 4.531 4.480 -0.001 0.000 0.264 1 M C 1.774 178.106 176.300 0.054 0.000 1.063 1 M CA 1.521 56.871 55.300 0.083 0.000 1.119 1 M CB -0.667 31.971 32.600 0.064 0.000 1.377 1 M HN 0.424 nan 8.290 nan 0.000 0.415 2 L N -0.914 120.334 121.223 0.041 0.000 2.083 2 L HA -0.100 4.239 4.340 -0.001 0.000 0.209 2 L C 2.329 179.212 176.870 0.022 0.000 1.083 2 L CA 1.210 56.060 54.840 0.016 0.000 0.752 2 L CB -1.325 40.729 42.059 -0.009 0.000 0.899 2 L HN 0.512 nan 8.230 nan 0.000 0.433 3 G N 0.390 109.213 108.800 0.038 0.000 2.414 3 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.215 3 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.215 3 G C 1.537 176.459 174.900 0.037 0.000 1.188 3 G CA 0.678 45.802 45.100 0.040 0.000 0.783 3 G HN 0.278 nan 8.290 nan 0.000 0.537 4 I N 0.581 121.177 120.570 0.044 0.000 2.163 4 I HA -0.193 3.976 4.170 -0.001 0.000 0.243 4 I C 2.756 178.887 176.117 0.024 0.000 1.085 4 I CA 0.810 62.130 61.300 0.033 0.000 1.347 4 I CB -0.320 37.700 38.000 0.033 0.000 1.044 4 I HN 0.128 nan 8.210 nan 0.000 0.408 5 L N 0.343 121.580 121.223 0.023 0.000 2.017 5 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 5 L C 2.440 179.318 176.870 0.013 0.000 1.073 5 L CA 1.314 56.164 54.840 0.016 0.000 0.745 5 L CB -0.823 41.245 42.059 0.014 0.000 0.894 5 L HN 0.345 nan 8.230 nan 0.000 0.432 6 N N 0.409 119.117 118.700 0.013 0.000 2.069 6 N HA -0.110 4.629 4.740 -0.001 0.000 0.191 6 N C 0.814 176.330 175.510 0.010 0.000 1.031 6 N CA 0.912 53.968 53.050 0.010 0.000 0.852 6 N CB -0.168 38.325 38.487 0.010 0.000 1.018 6 N HN 0.360 nan 8.380 nan 0.000 0.423 15 T N 0.166 114.720 114.554 -0.000 0.000 3.214 15 T HA 0.347 4.696 4.350 -0.001 0.000 0.264 15 T C 0.726 175.428 174.700 0.002 0.000 1.012 15 T CA -0.376 61.724 62.100 0.000 0.000 0.901 15 T CB -0.068 68.801 68.868 0.003 0.000 1.070 15 T HN 0.394 nan 8.240 nan 0.000 0.561 16 L N 2.881 124.104 121.223 0.001 0.000 2.395 16 L HA 0.450 4.789 4.340 -0.001 0.000 0.269 16 L C 0.680 177.546 176.870 -0.007 0.000 1.133 16 L CA -1.061 53.782 54.840 0.005 0.000 0.812 16 L CB 0.482 42.544 42.059 0.006 0.000 1.125 16 L HN 0.351 nan 8.230 nan 0.000 0.452 17 N N 1.065 119.769 118.700 0.007 0.000 2.379 17 N HA 0.104 4.843 4.740 -0.001 0.000 0.260 17 N C 0.761 176.211 175.510 -0.101 0.000 1.254 17 N CA -0.591 52.448 53.050 -0.018 0.000 0.958 17 N CB 0.442 38.966 38.487 0.061 0.000 1.208 17 N HN 0.522 nan 8.380 nan 0.000 0.532 18 R N -0.629 119.715 120.500 -0.260 0.000 2.133 18 R HA -0.242 4.097 4.340 -0.001 0.000 0.247 18 R C 0.945 176.975 176.300 -0.449 0.000 1.151 18 R CA 1.737 57.579 56.100 -0.430 0.000 0.971 18 R CB -0.488 29.419 30.300 -0.654 0.000 0.866 18 R HN 0.765 nan 8.270 nan 0.000 0.447 19 Y N 0.313 120.613 120.300 -0.000 0.000 2.286 19 Y HA -0.003 4.546 4.550 -0.001 0.000 0.293 19 Y C 2.177 178.083 175.900 0.010 0.000 1.124 19 Y CA 1.104 59.208 58.100 0.008 0.000 1.178 19 Y CB -0.105 38.364 38.460 0.016 0.000 1.010 19 Y HN 0.183 nan 8.280 nan 0.000 0.536 20 E N 0.852 121.123 120.200 0.120 0.000 2.106 20 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 20 E C 1.961 178.582 176.600 0.036 0.000 0.984 20 E CA 1.064 57.511 56.400 0.078 0.000 0.806 20 E CB -0.122 29.614 29.700 0.061 0.000 0.750 20 E HN 0.421 nan 8.360 nan 0.000 0.458 21 K N 1.206 121.605 120.400 -0.002 0.000 2.002 21 K HA -0.162 4.157 4.320 -0.001 0.000 0.209 21 K C 2.154 178.742 176.600 -0.020 0.000 1.048 21 K CA 1.239 57.515 56.287 -0.019 0.000 0.930 21 K CB -0.011 32.459 32.500 -0.051 0.000 0.714 21 K HN -0.006 nan 8.250 nan 0.000 0.438 22 I N 1.722 122.268 120.570 -0.040 0.000 2.208 22 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 22 I C 2.620 178.734 176.117 -0.004 0.000 1.097 22 I CA 1.547 62.816 61.300 -0.050 0.000 1.363 22 I CB -1.613 36.337 38.000 -0.084 0.000 1.051 22 I HN 0.309 nan 8.210 nan 0.000 0.413 23 A N 1.392 124.235 122.820 0.039 0.000 1.883 23 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 23 A C 2.120 179.736 177.584 0.053 0.000 1.186 23 A CA 1.917 53.993 52.037 0.064 0.000 0.624 23 A CB -0.692 18.358 19.000 0.083 0.000 0.822 23 A HN 0.441 nan 8.150 nan 0.000 0.444 24 N N 0.536 119.262 118.700 0.043 0.000 2.142 24 N HA -0.128 4.611 4.740 -0.001 0.000 0.186 24 N C 1.173 176.709 175.510 0.043 0.000 1.023 24 N CA 1.512 54.589 53.050 0.045 0.000 0.852 24 N CB -0.540 37.968 38.487 0.036 0.000 0.998 24 N HN 0.449 nan 8.380 nan 0.000 0.424 25 D N 1.240 121.656 120.400 0.026 0.000 2.106 25 D HA -0.112 4.527 4.640 -0.001 0.000 0.191 25 D C 2.148 178.476 176.300 0.046 0.000 0.997 25 D CA 0.721 54.736 54.000 0.025 0.000 0.834 25 D CB -0.405 40.393 40.800 -0.004 0.000 0.956 25 D HN 0.286 nan 8.370 nan 0.000 0.448 26 I N 0.794 121.388 120.570 0.039 0.000 2.208 26 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 26 I C 2.119 178.290 176.117 0.090 0.000 1.097 26 I CA 1.162 62.497 61.300 0.059 0.000 1.363 26 I CB -0.181 37.852 38.000 0.055 0.000 1.051 26 I HN -0.101 nan 8.210 nan 0.000 0.413 27 D N 0.897 121.348 120.400 0.086 0.000 2.178 27 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 27 D C 2.156 178.532 176.300 0.127 0.000 0.980 27 D CA 1.319 55.389 54.000 0.117 0.000 0.842 27 D CB 0.098 40.961 40.800 0.105 0.000 0.948 27 D HN 0.305 nan 8.370 nan 0.000 0.472 28 A N 0.640 123.520 122.820 0.100 0.000 1.933 28 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 28 A C 2.125 179.775 177.584 0.111 0.000 1.175 28 A CA 1.337 53.428 52.037 0.091 0.000 0.628 28 A CB -0.777 18.264 19.000 0.068 0.000 0.814 28 A HN 0.517 nan 8.150 nan 0.000 0.444 29 I N -2.153 118.506 120.570 0.148 0.000 3.858 29 I HA 0.167 4.336 4.170 -0.001 0.000 0.325 29 I C 1.558 177.849 176.117 0.290 0.000 1.403 29 I CA 0.111 61.529 61.300 0.196 0.000 1.169 29 I CB -0.129 38.019 38.000 0.247 0.000 1.077 29 I HN 0.326 nan 8.210 nan 0.000 0.403 30 R N 1.080 121.731 120.500 0.252 0.000 2.152 30 R HA -0.003 4.336 4.340 -0.001 0.000 0.232 30 R C 1.893 178.349 176.300 0.260 0.000 1.117 30 R CA 1.471 57.761 56.100 0.316 0.000 0.981 30 R CB -1.023 29.465 30.300 0.313 0.000 0.870 30 R HN 0.404 nan 8.270 nan 0.000 0.451 31 G N 1.567 110.457 108.800 0.150 0.000 2.443 31 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.219 31 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.219 31 G C 0.722 175.633 174.900 0.019 0.000 1.131 31 G CA 0.583 45.726 45.100 0.072 0.000 0.775 31 G HN 0.319 nan 8.290 nan 0.000 0.547 32 D N -0.598 119.780 120.400 -0.038 0.000 2.371 32 D HA 0.016 4.655 4.640 -0.001 0.000 0.234 32 D C 0.542 176.436 176.300 -0.677 0.000 1.049 32 D CA 0.662 54.458 54.000 -0.340 0.000 0.907 32 D CB 0.076 40.605 40.800 -0.452 0.000 0.891 32 D HN 0.576 nan 8.370 nan 0.000 0.531 33 Y N -0.900 119.446 120.300 0.076 0.000 2.449 33 Y HA 0.118 4.667 4.550 -0.002 0.000 0.278 33 Y C 1.929 177.869 175.900 0.068 0.000 1.066 33 Y CA -0.532 57.619 58.100 0.085 0.000 1.166 33 Y CB 0.143 38.673 38.460 0.117 0.000 1.346 33 Y HN -0.163 nan 8.280 nan 0.000 0.562 34 E N 1.200 121.508 120.200 0.180 0.000 2.171 34 E HA -0.199 4.150 4.350 -0.001 0.000 0.197 34 E C 0.844 177.470 176.600 0.043 0.000 0.997 34 E CA 1.665 58.115 56.400 0.083 0.000 0.810 34 E CB 0.042 29.765 29.700 0.038 0.000 0.738 34 E HN 0.356 nan 8.360 nan 0.000 0.467 35 N N -0.266 118.457 118.700 0.037 0.000 2.159 35 N HA 0.052 4.791 4.740 -0.001 0.000 0.217 35 N C -0.358 175.170 175.510 0.030 0.000 1.223 35 N CA -0.229 52.834 53.050 0.021 0.000 0.896 35 N CB 0.596 39.084 38.487 0.001 0.000 1.064 35 N HN 0.077 nan 8.380 nan 0.000 0.518 36 L N 1.876 123.129 121.223 0.050 0.000 2.479 36 L HA 0.062 4.401 4.340 -0.001 0.000 0.270 36 L C 0.854 177.770 176.870 0.076 0.000 1.236 36 L CA 0.192 55.064 54.840 0.054 0.000 0.823 36 L CB 0.505 42.617 42.059 0.089 0.000 1.098 36 L HN 0.124 nan 8.230 nan 0.000 0.500 37 S N 0.533 116.272 115.700 0.064 0.000 2.616 37 S HA 0.261 4.731 4.470 -0.001 0.000 0.277 37 S C 0.666 175.324 174.600 0.097 0.000 1.234 37 S CA -0.650 57.590 58.200 0.068 0.000 1.028 37 S CB 0.986 64.207 63.200 0.034 0.000 0.988 37 S HN 0.630 nan 8.310 nan 0.000 0.522 38 D N 1.701 122.172 120.400 0.118 0.000 2.160 38 D HA -0.156 4.483 4.640 -0.001 0.000 0.189 38 D C 1.275 177.556 176.300 -0.032 0.000 1.003 38 D CA 2.068 56.139 54.000 0.119 0.000 0.846 38 D CB -0.451 40.409 40.800 0.100 0.000 0.949 38 D HN 0.709 nan 8.370 nan 0.000 0.446 39 D N -0.164 120.215 120.400 -0.035 0.000 2.133 39 D HA -0.133 4.507 4.640 -0.001 0.000 0.195 39 D C 1.934 178.244 176.300 0.018 0.000 0.997 39 D CA 1.587 55.564 54.000 -0.038 0.000 0.840 39 D CB -0.468 40.317 40.800 -0.024 0.000 0.947 39 D HN 0.245 nan 8.370 nan 0.000 0.452 40 A N 0.249 123.091 122.820 0.037 0.000 1.929 40 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 40 A C 2.078 179.732 177.584 0.116 0.000 1.176 40 A CA 0.754 52.830 52.037 0.065 0.000 0.628 40 A CB -0.558 18.463 19.000 0.035 0.000 0.816 40 A HN 0.226 nan 8.150 nan 0.000 0.444 41 L N 0.115 121.417 121.223 0.131 0.000 2.056 41 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 41 L C 2.249 179.211 176.870 0.154 0.000 1.078 41 L CA 2.538 57.498 54.840 0.199 0.000 0.749 41 L CB -0.568 41.664 42.059 0.288 0.000 0.901 41 L HN 0.467 nan 8.230 nan 0.000 0.433 42 K N -1.625 118.813 120.400 0.062 0.000 2.097 42 K HA -0.280 4.039 4.320 -0.001 0.000 0.205 42 K C 2.229 178.855 176.600 0.044 0.000 1.050 42 K CA 1.521 57.813 56.287 0.010 0.000 0.938 42 K CB -0.307 32.104 32.500 -0.148 0.000 0.718 42 K HN 0.513 nan 8.250 nan 0.000 0.442 43 H N 0.806 119.865 119.070 -0.017 0.000 2.518 43 H HA -0.020 4.535 4.556 -0.001 0.000 0.289 43 H C 1.456 176.740 175.328 -0.073 0.000 1.051 43 H CA 1.279 57.308 56.048 -0.031 0.000 1.280 43 H CB 0.286 30.027 29.762 -0.036 0.000 1.380 43 H HN 0.067 nan 8.280 nan 0.000 0.566 44 K N -0.363 119.971 120.400 -0.110 0.000 2.113 44 K HA -0.120 4.199 4.320 -0.001 0.000 0.208 44 K C 2.054 178.326 176.600 -0.546 0.000 1.047 44 K CA 1.549 57.608 56.287 -0.381 0.000 0.928 44 K CB -0.637 31.733 32.500 -0.217 0.000 0.716 44 K HN 0.399 nan 8.250 nan 0.000 0.446 45 T N 2.313 116.817 114.554 -0.083 0.000 2.684 45 T HA -0.119 4.230 4.350 -0.001 0.000 0.267 45 T C 1.914 176.576 174.700 -0.062 0.000 1.036 45 T CA 1.102 63.284 62.100 0.137 0.000 1.148 45 T CB -0.087 68.901 68.868 0.201 0.000 0.863 45 T HN 0.033 nan 8.240 nan 0.000 0.436 46 I N 1.568 121.978 120.570 -0.267 0.000 2.163 46 I HA -0.134 4.035 4.170 -0.001 0.000 0.243 46 I C 2.436 178.389 176.117 -0.273 0.000 1.085 46 I CA 1.507 62.614 61.300 -0.322 0.000 1.347 46 I CB -1.255 36.370 38.000 -0.624 0.000 1.044 46 I HN 0.428 nan 8.210 nan 0.000 0.408 47 E N 0.414 120.373 120.200 -0.402 0.000 2.085 47 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 47 E C 2.330 178.882 176.600 -0.079 0.000 0.994 47 E CA 1.277 57.541 56.400 -0.227 0.000 0.801 47 E CB -0.269 29.264 29.700 -0.279 0.000 0.743 47 E HN 0.451 nan 8.360 nan 0.000 0.453 48 F N 1.326 121.284 119.950 0.014 0.000 2.171 48 F HA -0.147 4.379 4.527 -0.001 0.000 0.300 48 F C 2.369 178.165 175.800 -0.008 0.000 1.090 48 F CA 0.661 58.676 58.000 0.024 0.000 1.293 48 F CB -0.042 38.988 39.000 0.050 0.000 1.013 48 F HN -0.110 nan 8.300 nan 0.000 0.486 49 K N 0.400 120.890 120.400 0.150 0.000 2.097 49 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 49 K C 1.754 178.380 176.600 0.045 0.000 1.050 49 K CA 1.414 57.740 56.287 0.065 0.000 0.938 49 K CB -0.246 32.267 32.500 0.021 0.000 0.718 49 K HN 0.361 nan 8.250 nan 0.000 0.442 50 E N 0.708 120.929 120.200 0.035 0.000 2.051 50 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 50 E C 2.103 178.731 176.600 0.046 0.000 0.991 50 E CA 1.054 57.472 56.400 0.031 0.000 0.799 50 E CB -0.014 29.701 29.700 0.024 0.000 0.748 50 E HN 0.220 nan 8.360 nan 0.000 0.449 51 R N 0.554 121.098 120.500 0.072 0.000 2.081 51 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 51 R C 2.474 178.810 176.300 0.060 0.000 1.131 51 R CA 1.010 57.157 56.100 0.079 0.000 0.960 51 R CB -0.376 30.000 30.300 0.126 0.000 0.856 51 R HN 0.161 nan 8.270 nan 0.000 0.436 52 L N 0.538 121.798 121.223 0.062 0.000 2.083 52 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 52 L C 2.601 179.483 176.870 0.019 0.000 1.083 52 L CA 1.270 56.130 54.840 0.032 0.000 0.752 52 L CB -0.406 41.667 42.059 0.023 0.000 0.899 52 L HN 0.289 nan 8.230 nan 0.000 0.433 53 E N 1.455 121.668 120.200 0.022 0.000 2.110 53 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 53 E C 1.387 177.996 176.600 0.014 0.000 0.988 53 E CA 1.081 57.489 56.400 0.014 0.000 0.804 53 E CB 0.148 29.857 29.700 0.015 0.000 0.745 53 E HN 0.497 nan 8.360 nan 0.000 0.458 54 K N -1.036 119.376 120.400 0.021 0.000 2.708 54 K HA 0.231 4.550 4.320 -0.001 0.000 0.219 54 K C 0.780 177.390 176.600 0.017 0.000 1.068 54 K CA 0.462 56.760 56.287 0.019 0.000 1.212 54 K CB 0.535 33.050 32.500 0.024 0.000 0.978 54 K HN 0.207 nan 8.250 nan 0.000 0.475 55 G N 0.065 108.873 108.800 0.013 0.000 2.241 55 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.244 55 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.244 55 G C 0.416 175.322 174.900 0.009 0.000 0.998 55 G CA -0.152 44.953 45.100 0.009 0.000 0.621 55 G HN 0.739 nan 8.290 nan 0.000 0.519 56 A N 0.635 123.465 122.820 0.017 0.000 2.507 56 A HA 0.614 4.933 4.320 -0.001 0.000 0.235 56 A C 1.008 178.594 177.584 0.002 0.000 1.070 56 A CA 1.665 53.711 52.037 0.015 0.000 0.768 56 A CB 0.112 19.133 19.000 0.035 0.000 1.011 56 A HN 1.894 nan 8.150 nan 0.000 0.502 57 T N -2.066 112.482 114.554 -0.010 0.000 2.948 57 T HA 0.507 4.856 4.350 -0.001 0.000 0.285 57 T C 1.216 175.892 174.700 -0.041 0.000 1.019 57 T CA 0.121 62.211 62.100 -0.017 0.000 1.013 57 T CB 0.947 69.806 68.868 -0.014 0.000 1.117 57 T HN 0.988 nan 8.240 nan 0.000 0.533 58 T N -1.448 113.085 114.554 -0.034 0.000 2.867 58 T HA -0.074 4.276 4.350 -0.001 0.000 0.268 58 T C 1.186 175.771 174.700 -0.191 0.000 1.057 58 T CA 1.383 63.429 62.100 -0.090 0.000 1.136 58 T CB -0.757 68.126 68.868 0.024 0.000 0.874 58 T HN 0.622 nan 8.240 nan 0.000 0.466 59 D N 1.631 121.973 120.400 -0.097 0.000 2.144 59 D HA -0.057 4.582 4.640 -0.001 0.000 0.199 59 D C 1.939 178.149 176.300 -0.150 0.000 0.984 59 D CA 0.994 54.916 54.000 -0.129 0.000 0.834 59 D CB -0.254 40.530 40.800 -0.027 0.000 0.955 59 D HN 0.379 nan 8.370 nan 0.000 0.465 60 D N -0.178 120.162 120.400 -0.101 0.000 2.117 60 D HA -0.062 4.577 4.640 -0.001 0.000 0.198 60 D C 1.865 178.105 176.300 -0.101 0.000 0.982 60 D CA 0.665 54.619 54.000 -0.077 0.000 0.828 60 D CB -0.049 40.730 40.800 -0.035 0.000 0.967 60 D HN 0.288 nan 8.370 nan 0.000 0.464 61 L N 0.528 121.664 121.223 -0.146 0.000 2.592 61 L HA 0.145 4.484 4.340 -0.001 0.000 0.227 61 L C 2.265 178.945 176.870 -0.316 0.000 1.127 61 L CA -0.169 54.547 54.840 -0.208 0.000 0.884 61 L CB -0.037 41.856 42.059 -0.276 0.000 1.065 61 L HN -0.024 nan 8.230 nan 0.000 0.457 62 L N 0.095 121.098 121.223 -0.367 0.000 1.963 62 L HA -0.269 4.070 4.340 -0.001 0.000 0.220 62 L C 2.537 179.091 176.870 -0.528 0.000 1.076 62 L CA 1.728 56.219 54.840 -0.580 0.000 0.772 62 L CB -0.168 41.438 42.059 -0.755 0.000 0.892 62 L HN -0.014 nan 8.230 nan 0.000 0.435 63 V N 0.036 119.735 119.914 -0.359 0.000 2.250 63 V HA -0.375 3.744 4.120 -0.001 0.000 0.250 63 V C 2.436 178.486 176.094 -0.072 0.000 1.060 63 V CA 2.491 64.671 62.300 -0.199 0.000 1.030 63 V CB -0.784 30.979 31.823 -0.100 0.000 0.643 63 V HN 0.547 nan 8.190 nan 0.000 0.445 64 E N 0.066 120.250 120.200 -0.028 0.000 2.072 64 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 64 E C 2.355 178.950 176.600 -0.007 0.000 0.985 64 E CA 1.161 57.616 56.400 0.091 0.000 0.801 64 E CB -0.388 29.500 29.700 0.312 0.000 0.750 64 E HN 0.596 nan 8.360 nan 0.000 0.452 65 A N 1.119 123.803 122.820 -0.227 0.000 1.908 65 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 65 A C 1.901 179.545 177.584 0.100 0.000 1.181 65 A CA 1.320 53.238 52.037 -0.199 0.000 0.627 65 A CB -0.703 18.168 19.000 -0.216 0.000 0.818 65 A HN 0.154 nan 8.150 nan 0.000 0.445 66 F N 0.033 119.880 119.950 -0.172 0.000 2.146 66 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 66 F C 2.819 178.489 175.800 -0.215 0.000 1.096 66 F CA 0.320 58.224 58.000 -0.160 0.000 1.275 66 F CB -1.047 37.879 39.000 -0.123 0.000 1.008 66 F HN 0.273 nan 8.300 nan 0.000 0.480 67 A N -0.191 122.609 122.820 -0.034 0.000 1.902 67 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 67 A C 2.437 179.787 177.584 -0.390 0.000 1.181 67 A CA 1.866 53.778 52.037 -0.207 0.000 0.623 67 A CB -1.193 17.663 19.000 -0.241 0.000 0.818 67 A HN 0.167 nan 8.150 nan 0.000 0.443 68 V N -0.398 119.260 119.914 -0.426 0.000 2.295 68 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 68 V C 2.574 178.528 176.094 -0.233 0.000 1.049 68 V CA 2.013 64.118 62.300 -0.325 0.000 1.024 68 V CB -0.787 31.019 31.823 -0.027 0.000 0.648 68 V HN 0.376 nan 8.190 nan 0.000 0.447 69 V N -0.125 119.606 119.914 -0.304 0.000 2.343 69 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 69 V C 2.556 178.489 176.094 -0.268 0.000 1.051 69 V CA 2.342 64.438 62.300 -0.339 0.000 1.036 69 V CB -0.807 30.788 31.823 -0.380 0.000 0.654 69 V HN 0.478 nan 8.190 nan 0.000 0.451 70 R N 0.040 120.376 120.500 -0.273 0.000 2.096 70 R HA -0.274 4.065 4.340 -0.001 0.000 0.240 70 R C 2.383 178.608 176.300 -0.124 0.000 1.139 70 R CA 2.328 58.221 56.100 -0.344 0.000 0.952 70 R CB -0.237 29.774 30.300 -0.482 0.000 0.854 70 R HN 0.552 nan 8.270 nan 0.000 0.436 71 E N 0.240 120.460 120.200 0.033 0.000 2.047 71 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 71 E C 1.709 178.315 176.600 0.011 0.000 0.987 71 E CA 1.795 58.307 56.400 0.186 0.000 0.799 71 E CB -0.333 29.472 29.700 0.175 0.000 0.752 71 E HN 0.416 nan 8.360 nan 0.000 0.449 72 A N 0.094 122.863 122.820 -0.085 0.000 1.940 72 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 72 A C 2.451 179.835 177.584 -0.334 0.000 1.176 72 A CA 2.195 54.083 52.037 -0.248 0.000 0.631 72 A CB -1.109 17.811 19.000 -0.133 0.000 0.814 72 A HN 0.354 nan 8.150 nan 0.000 0.446 73 S N -0.716 114.847 115.700 -0.229 0.000 2.368 73 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 73 S C 2.244 176.747 174.600 -0.163 0.000 1.030 73 S CA 1.420 59.487 58.200 -0.223 0.000 0.999 73 S CB -0.429 62.638 63.200 -0.222 0.000 0.844 73 S HN 0.618 nan 8.310 nan 0.000 0.459 74 R N 0.646 121.116 120.500 -0.050 0.000 2.083 74 R HA -0.067 4.272 4.340 -0.001 0.000 0.237 74 R C 2.476 178.707 176.300 -0.114 0.000 1.137 74 R CA 1.606 57.700 56.100 -0.011 0.000 0.951 74 R CB -0.275 30.082 30.300 0.094 0.000 0.851 74 R HN 0.451 nan 8.270 nan 0.000 0.434 75 R N -0.399 119.987 120.500 -0.189 0.000 2.073 75 R HA -0.034 4.305 4.340 -0.001 0.000 0.229 75 R C 2.301 178.430 176.300 -0.287 0.000 1.120 75 R CA 1.352 57.304 56.100 -0.245 0.000 0.967 75 R CB -0.136 29.955 30.300 -0.348 0.000 0.862 75 R HN 0.113 nan 8.270 nan 0.000 0.436 76 V N 0.353 120.042 119.914 -0.376 0.000 2.535 76 V HA -0.126 3.993 4.120 -0.001 0.000 0.246 76 V C 2.243 178.229 176.094 -0.180 0.000 1.045 76 V CA 2.127 64.249 62.300 -0.297 0.000 1.058 76 V CB -0.078 31.538 31.823 -0.346 0.000 0.689 76 V HN 0.536 nan 8.190 nan 0.000 0.461 77 T N -4.295 110.157 114.554 -0.170 0.000 2.959 77 T HA 0.406 4.755 4.350 -0.001 0.000 0.254 77 T C 1.533 176.172 174.700 -0.101 0.000 1.003 77 T CA 1.126 63.150 62.100 -0.127 0.000 0.950 77 T CB 1.127 69.912 68.868 -0.137 0.000 1.090 77 T HN 0.870 nan 8.240 nan 0.000 0.503 78 G N 1.812 110.552 108.800 -0.100 0.000 2.213 78 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.236 78 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.236 78 G C 0.007 174.867 174.900 -0.066 0.000 0.991 78 G CA 0.110 45.165 45.100 -0.075 0.000 0.629 78 G HN 0.589 nan 8.290 nan 0.000 0.517 79 M N 0.461 120.008 119.600 -0.088 0.000 2.188 79 M HA 0.612 5.091 4.480 -0.001 0.000 0.357 79 M C -0.694 175.563 176.300 -0.071 0.000 1.204 79 M CA -0.627 54.603 55.300 -0.117 0.000 1.095 79 M CB 1.289 33.786 32.600 -0.172 0.000 1.604 79 M HN 0.088 nan 8.290 nan 0.000 0.464 80 F N 5.433 125.215 119.950 -0.280 0.000 2.361 80 F HA 0.500 5.026 4.527 -0.001 0.000 0.364 80 F C -2.158 173.428 175.800 -0.358 0.000 1.117 80 F CA -2.802 55.051 58.000 -0.245 0.000 1.071 80 F CB 0.947 39.852 39.000 -0.159 0.000 1.188 80 F HN 0.331 nan 8.300 nan 0.000 0.464 81 P HA -0.094 nan 4.420 nan 0.000 0.257 81 P C -0.417 176.645 177.300 -0.396 0.000 1.162 81 P CA 0.793 63.593 63.100 -0.500 0.000 0.762 81 P CB -0.028 31.418 31.700 -0.424 0.000 0.753 82 F N 2.616 122.496 119.950 -0.117 0.000 2.532 82 F HA -0.024 4.502 4.527 -0.002 0.000 0.323 82 F C 2.146 177.905 175.800 -0.068 0.000 1.234 82 F CA -0.442 57.522 58.000 -0.059 0.000 1.323 82 F CB 0.406 39.391 39.000 -0.025 0.000 1.183 82 F HN 0.312 nan 8.300 nan 0.000 0.589 83 K N 0.486 121.007 120.400 0.202 0.000 2.148 83 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 83 K C 1.652 178.310 176.600 0.097 0.000 1.050 83 K CA 1.685 58.037 56.287 0.108 0.000 0.942 83 K CB -1.596 30.961 32.500 0.096 0.000 0.724 83 K HN 0.570 nan 8.250 nan 0.000 0.446 84 V N -0.274 119.701 119.914 0.102 0.000 2.626 84 V HA -0.183 3.936 4.120 -0.001 0.000 0.252 84 V C 2.293 178.424 176.094 0.062 0.000 1.067 84 V CA 1.244 63.582 62.300 0.064 0.000 1.081 84 V CB -0.962 30.881 31.823 0.033 0.000 0.686 84 V HN 0.173 nan 8.190 nan 0.000 0.468 85 Q N 0.350 120.199 119.800 0.081 0.000 2.123 85 Q HA 0.030 4.369 4.340 -0.001 0.000 0.199 85 Q C 2.315 178.322 176.000 0.012 0.000 0.966 85 Q CA 1.694 57.513 55.803 0.026 0.000 0.845 85 Q CB -0.271 28.464 28.738 -0.006 0.000 0.907 85 Q HN 0.630 nan 8.270 nan 0.000 0.439 86 L N -0.091 121.156 121.223 0.041 0.000 2.046 86 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 86 L C 2.451 179.443 176.870 0.204 0.000 1.077 86 L CA 1.045 55.959 54.840 0.123 0.000 0.747 86 L CB -0.457 41.679 42.059 0.129 0.000 0.896 86 L HN 0.296 nan 8.230 nan 0.000 0.432 87 M N -0.217 119.471 119.600 0.146 0.000 2.086 87 M HA -0.128 4.351 4.480 -0.001 0.000 0.261 87 M C 2.409 178.769 176.300 0.099 0.000 1.067 87 M CA 1.960 57.358 55.300 0.164 0.000 1.116 87 M CB -0.990 31.677 32.600 0.111 0.000 1.348 87 M HN 0.376 nan 8.290 nan 0.000 0.407 88 G N 0.062 108.882 108.800 0.034 0.000 2.446 88 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.217 88 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.217 88 G C 1.518 176.451 174.900 0.054 0.000 1.168 88 G CA 1.049 46.142 45.100 -0.012 0.000 0.771 88 G HN 0.563 nan 8.290 nan 0.000 0.551 89 G N 0.432 109.289 108.800 0.096 0.000 2.469 89 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.219 89 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.219 89 G C 1.802 176.954 174.900 0.421 0.000 1.150 89 G CA 1.398 46.590 45.100 0.154 0.000 0.763 89 G HN 0.354 nan 8.290 nan 0.000 0.561 90 V N 1.549 121.747 119.914 0.473 0.000 2.343 90 V HA -0.147 3.972 4.120 -0.001 0.000 0.247 90 V C 3.329 179.621 176.094 0.330 0.000 1.051 90 V CA 2.039 64.572 62.300 0.388 0.000 1.036 90 V CB -0.989 31.032 31.823 0.330 0.000 0.654 90 V HN 0.499 nan 8.190 nan 0.000 0.451 91 A N 0.005 122.958 122.820 0.220 0.000 1.883 91 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 91 A C 2.222 179.856 177.584 0.084 0.000 1.186 91 A CA 1.944 54.035 52.037 0.091 0.000 0.624 91 A CB -0.568 18.334 19.000 -0.162 0.000 0.822 91 A HN 0.514 nan 8.150 nan 0.000 0.444 92 L N -1.420 119.862 121.223 0.099 0.000 2.046 92 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 92 L C 2.734 179.718 176.870 0.189 0.000 1.077 92 L CA 1.659 56.568 54.840 0.115 0.000 0.747 92 L CB -0.861 41.262 42.059 0.107 0.000 0.896 92 L HN 0.627 nan 8.230 nan 0.000 0.432 93 H N 0.535 119.710 119.070 0.173 0.000 2.421 93 H HA -0.179 4.376 4.556 -0.002 0.000 0.298 93 H C 1.193 176.511 175.328 -0.016 0.000 1.087 93 H CA 1.594 57.697 56.048 0.092 0.000 1.330 93 H CB 0.176 30.026 29.762 0.146 0.000 1.388 93 H HN 0.346 nan 8.280 nan 0.000 0.526 94 D N -0.159 120.203 120.400 -0.064 0.000 2.371 94 D HA 0.019 4.658 4.640 -0.001 0.000 0.221 94 D C 1.312 177.533 176.300 -0.133 0.000 0.986 94 D CA 1.078 55.015 54.000 -0.106 0.000 0.899 94 D CB -0.251 40.583 40.800 0.056 0.000 0.902 94 D HN 0.666 nan 8.370 nan 0.000 0.530 95 G N 0.753 109.485 108.800 -0.112 0.000 2.165 95 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.226 95 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.226 95 G C 0.151 175.035 174.900 -0.026 0.000 1.035 95 G CA -0.306 44.759 45.100 -0.060 0.000 0.744 95 G HN 0.217 nan 8.290 nan 0.000 0.501 96 N N -0.916 117.766 118.700 -0.029 0.000 2.966 96 N HA 0.657 5.396 4.740 -0.001 0.000 0.314 96 N C -0.083 175.349 175.510 -0.129 0.000 1.397 96 N CA -0.707 52.304 53.050 -0.065 0.000 0.776 96 N CB 1.018 39.481 38.487 -0.040 0.000 1.576 96 N HN 0.125 nan 8.380 nan 0.000 0.592 97 I N 1.028 121.476 120.570 -0.203 0.000 2.331 97 I HA 0.355 4.525 4.170 -0.001 0.000 0.292 97 I C 0.065 176.048 176.117 -0.223 0.000 0.998 97 I CA -0.710 60.420 61.300 -0.284 0.000 1.267 97 I CB 1.343 39.047 38.000 -0.492 0.000 1.386 97 I HN 0.415 nan 8.210 nan 0.000 0.476 98 A N 6.189 128.894 122.820 -0.192 0.000 2.253 98 A HA 0.275 4.594 4.320 -0.001 0.000 0.316 98 A C 0.025 177.514 177.584 -0.159 0.000 1.327 98 A CA -0.459 51.477 52.037 -0.169 0.000 0.917 98 A CB 0.210 19.133 19.000 -0.128 0.000 1.162 98 A HN 0.774 nan 8.150 nan 0.000 0.535 99 E N 3.885 123.993 120.200 -0.152 0.000 1.996 99 E HA 0.411 4.760 4.350 -0.001 0.000 0.280 99 E C -0.823 175.722 176.600 -0.092 0.000 1.092 99 E CA -0.013 56.315 56.400 -0.120 0.000 0.862 99 E CB 0.248 29.885 29.700 -0.105 0.000 1.066 99 E HN 0.687 nan 8.360 nan 0.000 0.396 100 M N 4.126 123.680 119.600 -0.078 0.000 2.311 100 M HA 0.357 4.836 4.480 -0.001 0.000 0.325 100 M C -0.160 176.117 176.300 -0.039 0.000 1.061 100 M CA -1.062 54.205 55.300 -0.055 0.000 0.957 100 M CB 1.885 34.455 32.600 -0.050 0.000 1.646 100 M HN 0.118 nan 8.290 nan 0.000 0.434 101 K N 1.425 121.808 120.400 -0.027 0.000 2.230 101 K HA 0.213 4.532 4.320 -0.001 0.000 0.253 101 K C -0.090 176.505 176.600 -0.008 0.000 1.008 101 K CA 0.067 56.345 56.287 -0.016 0.000 0.910 101 K CB 0.310 32.803 32.500 -0.012 0.000 0.994 101 K HN 0.617 nan 8.250 nan 0.000 0.495 102 T N 0.595 115.149 114.554 -0.001 0.000 2.928 102 T HA 0.237 4.586 4.350 -0.001 0.000 0.305 102 T C 1.184 175.891 174.700 0.012 0.000 1.035 102 T CA 1.246 63.349 62.100 0.006 0.000 1.145 102 T CB 0.282 69.157 68.868 0.012 0.000 0.963 102 T HN 0.716 nan 8.240 nan 0.000 0.545 103 G N 2.756 111.567 108.800 0.018 0.000 2.175 103 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.244 103 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.244 103 G C 0.712 175.637 174.900 0.043 0.000 0.982 103 G CA -0.072 45.045 45.100 0.028 0.000 0.641 103 G HN 0.655 nan 8.290 nan 0.000 0.527 104 E N 0.413 120.634 120.200 0.034 0.000 2.489 104 E HA 0.304 4.653 4.350 -0.001 0.000 0.193 104 E C 1.719 178.359 176.600 0.067 0.000 1.057 104 E CA 0.849 57.282 56.400 0.055 0.000 0.866 104 E CB -0.181 29.534 29.700 0.025 0.000 0.916 104 E HN 1.619 nan 8.360 nan 0.000 0.500 105 G N 2.993 111.814 108.800 0.036 0.000 2.289 105 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.280 105 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.280 105 G C 0.887 175.775 174.900 -0.020 0.000 1.089 105 G CA 0.865 45.968 45.100 0.006 0.000 0.939 105 G HN 0.436 nan 8.290 nan 0.000 0.499 106 K N -1.384 119.003 120.400 -0.022 0.000 2.152 106 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 106 K C 2.152 178.725 176.600 -0.044 0.000 1.048 106 K CA 2.038 58.302 56.287 -0.038 0.000 0.933 106 K CB -0.457 32.017 32.500 -0.044 0.000 0.721 106 K HN 0.275 nan 8.250 nan 0.000 0.447 107 T N 1.533 116.066 114.554 -0.035 0.000 2.737 107 T HA -0.094 4.255 4.350 -0.001 0.000 0.265 107 T C 1.661 176.338 174.700 -0.038 0.000 1.038 107 T CA 1.247 63.333 62.100 -0.023 0.000 1.144 107 T CB -0.234 68.624 68.868 -0.016 0.000 0.866 107 T HN 0.168 nan 8.240 nan 0.000 0.434 108 L N 1.193 122.372 121.223 -0.073 0.000 2.093 108 L HA -0.029 4.311 4.340 -0.001 0.000 0.208 108 L C 2.448 179.240 176.870 -0.129 0.000 1.085 108 L CA 1.744 56.513 54.840 -0.120 0.000 0.755 108 L CB -1.245 40.725 42.059 -0.148 0.000 0.904 108 L HN 0.180 nan 8.230 nan 0.000 0.435 109 T N -0.744 113.746 114.554 -0.107 0.000 2.720 109 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 109 T C 2.023 176.657 174.700 -0.111 0.000 1.037 109 T CA 1.663 63.693 62.100 -0.117 0.000 1.144 109 T CB -0.505 68.317 68.868 -0.076 0.000 0.864 109 T HN 0.688 nan 8.240 nan 0.000 0.444 110 S N 1.792 117.455 115.700 -0.062 0.000 2.423 110 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 110 S C 2.251 176.880 174.600 0.048 0.000 1.014 110 S CA 1.580 59.765 58.200 -0.025 0.000 0.965 110 S CB -1.135 62.049 63.200 -0.028 0.000 0.785 110 S HN 0.721 nan 8.310 nan 0.000 0.495 111 T N 1.047 115.634 114.554 0.054 0.000 2.849 111 T HA 0.004 4.353 4.350 -0.001 0.000 0.270 111 T C 1.699 176.476 174.700 0.128 0.000 1.066 111 T CA 1.199 63.417 62.100 0.197 0.000 1.130 111 T CB -0.848 67.917 68.868 -0.171 0.000 0.864 111 T HN 0.421 nan 8.240 nan 0.000 0.481 112 L N 1.671 122.788 121.223 -0.177 0.000 1.961 112 L HA 0.030 4.370 4.340 -0.001 0.000 0.210 112 L C 0.164 176.852 176.870 -0.304 0.000 1.072 112 L CA 1.523 56.041 54.840 -0.538 0.000 0.749 112 L CB -1.599 39.749 42.059 -1.184 0.000 0.889 112 L HN 0.233 nan 8.230 nan 0.000 0.432 113 P HA -0.076 nan 4.420 nan 0.000 0.221 113 P C 1.848 179.345 177.300 0.327 0.000 1.150 113 P CA 1.086 64.356 63.100 0.282 0.000 0.800 113 P CB 0.162 32.084 31.700 0.369 0.000 0.787 114 V N -0.397 119.662 119.914 0.241 0.000 2.307 114 V HA -0.248 3.871 4.120 -0.001 0.000 0.245 114 V C 2.646 178.810 176.094 0.116 0.000 1.045 114 V CA 1.812 64.209 62.300 0.162 0.000 1.024 114 V CB -1.502 30.337 31.823 0.027 0.000 0.651 114 V HN -0.002 nan 8.190 nan 0.000 0.449 115 Y N 0.481 120.846 120.300 0.108 0.000 2.097 115 Y HA -0.277 4.272 4.550 -0.002 0.000 0.282 115 Y C 2.264 178.224 175.900 0.100 0.000 1.152 115 Y CA 2.065 60.240 58.100 0.125 0.000 1.136 115 Y CB -0.395 38.220 38.460 0.257 0.000 0.975 115 Y HN 0.200 nan 8.280 nan 0.000 0.498 116 L N 1.393 122.740 121.223 0.206 0.000 2.013 116 L HA -0.273 4.066 4.340 -0.001 0.000 0.212 116 L C 1.726 178.606 176.870 0.017 0.000 1.073 116 L CA 2.170 57.057 54.840 0.078 0.000 0.753 116 L CB -1.043 41.145 42.059 0.214 0.000 0.890 116 L HN 0.347 nan 8.230 nan 0.000 0.432 117 N N -0.823 117.951 118.700 0.122 0.000 2.461 117 N HA 0.038 4.777 4.740 -0.001 0.000 0.188 117 N C 1.333 176.927 175.510 0.141 0.000 1.134 117 N CA 0.796 53.927 53.050 0.134 0.000 0.878 117 N CB 0.239 38.783 38.487 0.095 0.000 0.972 117 N HN 0.494 nan 8.380 nan 0.000 0.456 118 A N 0.272 123.102 122.820 0.016 0.000 2.169 118 A HA 0.185 4.504 4.320 -0.001 0.000 0.210 118 A C 2.132 179.659 177.584 -0.096 0.000 1.168 118 A CA -0.143 51.874 52.037 -0.033 0.000 0.813 118 A CB -0.064 18.871 19.000 -0.108 0.000 0.861 118 A HN 0.100 nan 8.150 nan 0.000 0.481 119 L N 0.448 121.576 121.223 -0.157 0.000 2.079 119 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 119 L C 2.558 179.384 176.870 -0.073 0.000 1.081 119 L CA 1.804 56.557 54.840 -0.145 0.000 0.752 119 L CB -0.814 41.150 42.059 -0.158 0.000 0.896 119 L HN 0.586 nan 8.230 nan 0.000 0.433 120 T N -2.855 111.659 114.554 -0.067 0.000 3.215 120 T HA 0.179 4.528 4.350 -0.001 0.000 0.254 120 T C 1.343 175.994 174.700 -0.082 0.000 1.149 120 T CA 0.289 62.346 62.100 -0.070 0.000 1.042 120 T CB -0.211 68.603 68.868 -0.089 0.000 0.966 120 T HN 0.494 nan 8.240 nan 0.000 0.534 121 G N 1.822 110.582 108.800 -0.067 0.000 2.305 121 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.287 121 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.287 121 G C 0.574 175.431 174.900 -0.072 0.000 1.036 121 G CA 0.600 45.670 45.100 -0.050 0.000 0.887 121 G HN 0.597 nan 8.290 nan 0.000 0.505 122 K N -0.407 119.916 120.400 -0.129 0.000 2.354 122 K HA 0.441 4.760 4.320 -0.001 0.000 0.194 122 K C 1.329 177.910 176.600 -0.032 0.000 1.045 122 K CA 0.414 56.582 56.287 -0.198 0.000 1.026 122 K CB 0.648 32.757 32.500 -0.653 0.000 0.866 122 K HN 1.544 nan 8.250 nan 0.000 0.530 123 G N 0.883 109.717 108.800 0.058 0.000 2.675 123 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.686 123 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.686 123 G C -1.064 173.955 174.900 0.199 0.000 1.215 123 G CA -1.049 44.131 45.100 0.132 0.000 0.777 123 G HN -0.035 nan 8.290 nan 0.000 0.638 124 V N 2.505 122.501 119.914 0.136 0.000 2.623 124 V HA 0.517 4.636 4.120 -0.001 0.000 0.304 124 V C -0.083 176.060 176.094 0.082 0.000 1.054 124 V CA -0.912 61.431 62.300 0.070 0.000 0.882 124 V CB 1.978 33.826 31.823 0.042 0.000 1.002 124 V HN 0.883 nan 8.190 nan 0.000 0.424 125 H N 2.814 121.852 119.070 -0.054 0.000 2.519 125 H HA 0.587 5.142 4.556 -0.001 0.000 0.316 125 H C -0.755 174.383 175.328 -0.315 0.000 1.065 125 H CA -0.840 55.150 56.048 -0.096 0.000 1.264 125 H CB 1.991 31.823 29.762 0.118 0.000 1.413 125 H HN 0.426 nan 8.280 nan 0.000 0.465 126 V N 5.549 125.284 119.914 -0.298 0.000 2.311 126 V HA 0.122 4.241 4.120 -0.001 0.000 0.275 126 V C -0.018 175.874 176.094 -0.336 0.000 1.022 126 V CA -0.714 61.293 62.300 -0.488 0.000 0.830 126 V CB 1.052 32.299 31.823 -0.960 0.000 1.012 126 V HN 0.470 nan 8.190 nan 0.000 0.452 127 V N 3.855 123.619 119.914 -0.250 0.000 2.439 127 V HA 0.592 4.711 4.120 -0.001 0.000 0.282 127 V C 0.361 176.372 176.094 -0.138 0.000 1.039 127 V CA -0.121 62.088 62.300 -0.151 0.000 0.913 127 V CB 1.547 33.285 31.823 -0.142 0.000 0.983 127 V HN 0.872 nan 8.190 nan 0.000 0.460 128 T N 1.968 116.479 114.554 -0.071 0.000 2.930 128 T HA 0.443 4.792 4.350 -0.001 0.000 0.290 128 T C 0.956 175.627 174.700 -0.048 0.000 1.052 128 T CA 0.048 62.116 62.100 -0.053 0.000 1.017 128 T CB 1.900 70.764 68.868 -0.007 0.000 1.137 128 T HN 0.594 nan 8.240 nan 0.000 0.511 129 V N 1.042 120.929 119.914 -0.046 0.000 2.548 129 V HA 0.194 4.313 4.120 -0.001 0.000 0.249 129 V C 0.509 176.595 176.094 -0.014 0.000 1.055 129 V CA 1.336 63.619 62.300 -0.029 0.000 1.065 129 V CB -1.411 30.396 31.823 -0.027 0.000 0.681 129 V HN 0.891 nan 8.190 nan 0.000 0.462 130 N N -1.775 116.903 118.700 -0.036 0.000 2.525 130 N HA 0.300 5.039 4.740 -0.001 0.000 0.270 130 N C 0.107 175.640 175.510 0.039 0.000 1.321 130 N CA -0.539 52.508 53.050 -0.004 0.000 0.797 130 N CB 1.080 39.478 38.487 -0.148 0.000 1.529 130 N HN 0.067 nan 8.380 nan 0.000 0.491 131 E N -0.921 119.334 120.200 0.091 0.000 2.204 131 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 131 E C 0.553 177.198 176.600 0.075 0.000 0.990 131 E CA 0.918 57.367 56.400 0.081 0.000 0.821 131 E CB -0.277 29.482 29.700 0.097 0.000 0.750 131 E HN 0.604 nan 8.360 nan 0.000 0.477 132 Y N 1.541 121.863 120.300 0.036 0.000 2.114 132 Y HA -0.202 4.347 4.550 -0.001 0.000 0.284 132 Y C 1.866 177.768 175.900 0.004 0.000 1.143 132 Y CA 1.451 59.571 58.100 0.033 0.000 1.135 132 Y CB -0.313 38.188 38.460 0.069 0.000 0.980 132 Y HN -0.078 nan 8.280 nan 0.000 0.499 133 L N -0.090 120.990 121.223 -0.237 0.000 2.141 133 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 133 L C 2.798 179.558 176.870 -0.183 0.000 1.094 133 L CA 0.987 55.656 54.840 -0.284 0.000 0.763 133 L CB -1.030 40.983 42.059 -0.078 0.000 0.908 133 L HN 0.362 nan 8.230 nan 0.000 0.437 134 A N -0.334 122.439 122.820 -0.079 0.000 1.877 134 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 134 A C 2.520 180.043 177.584 -0.102 0.000 1.186 134 A CA 2.101 54.146 52.037 0.014 0.000 0.620 134 A CB -0.595 18.435 19.000 0.051 0.000 0.822 134 A HN 0.359 nan 8.150 nan 0.000 0.443 135 S N -0.931 114.682 115.700 -0.145 0.000 2.383 135 S HA -0.126 4.343 4.470 -0.001 0.000 0.227 135 S C 2.087 176.535 174.600 -0.253 0.000 1.026 135 S CA 1.169 59.266 58.200 -0.171 0.000 0.981 135 S CB -0.321 62.816 63.200 -0.104 0.000 0.818 135 S HN 0.638 nan 8.310 nan 0.000 0.472 136 R N 1.289 121.575 120.500 -0.356 0.000 2.062 136 R HA -0.130 4.209 4.340 -0.001 0.000 0.231 136 R C 1.385 177.513 176.300 -0.288 0.000 1.136 136 R CA 1.853 57.741 56.100 -0.353 0.000 0.948 136 R CB -0.398 29.579 30.300 -0.540 0.000 0.845 136 R HN 0.233 nan 8.270 nan 0.000 0.430 137 D N 0.475 120.701 120.400 -0.290 0.000 2.097 137 D HA -0.127 4.512 4.640 -0.001 0.000 0.195 137 D C 1.785 177.713 176.300 -0.620 0.000 0.989 137 D CA 1.614 55.444 54.000 -0.283 0.000 0.827 137 D CB -0.393 40.394 40.800 -0.022 0.000 0.966 137 D HN 0.392 nan 8.370 nan 0.000 0.456 138 A N 0.842 123.078 122.820 -0.972 0.000 1.908 138 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 138 A C 2.136 179.464 177.584 -0.427 0.000 1.181 138 A CA 2.225 53.635 52.037 -1.045 0.000 0.627 138 A CB -0.601 18.005 19.000 -0.657 0.000 0.818 138 A HN 0.284 nan 8.150 nan 0.000 0.445 139 E N 0.162 120.183 120.200 -0.298 0.000 2.028 139 E HA -0.219 4.130 4.350 -0.001 0.000 0.191 139 E C 2.081 178.592 176.600 -0.149 0.000 0.988 139 E CA 1.962 58.260 56.400 -0.171 0.000 0.799 139 E CB -0.462 29.155 29.700 -0.138 0.000 0.755 139 E HN 0.723 nan 8.360 nan 0.000 0.447 140 Q N -0.781 118.917 119.800 -0.170 0.000 2.020 140 Q HA -0.043 4.296 4.340 -0.001 0.000 0.198 140 Q C 2.167 178.071 176.000 -0.159 0.000 0.974 140 Q CA 1.458 57.176 55.803 -0.141 0.000 0.829 140 Q CB -0.120 28.541 28.738 -0.129 0.000 0.894 140 Q HN 0.367 nan 8.270 nan 0.000 0.433 141 M N -0.016 119.474 119.600 -0.183 0.000 2.349 141 M HA 0.029 4.509 4.480 -0.001 0.000 0.266 141 M C 2.161 178.314 176.300 -0.246 0.000 1.076 141 M CA 1.059 56.226 55.300 -0.222 0.000 1.126 141 M CB -1.078 31.479 32.600 -0.071 0.000 1.392 141 M HN 0.316 nan 8.290 nan 0.000 0.440 142 G N 0.949 109.702 108.800 -0.078 0.000 2.442 142 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 142 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 142 G C 1.778 176.709 174.900 0.053 0.000 1.141 142 G CA 0.693 45.857 45.100 0.107 0.000 0.763 142 G HN 0.420 nan 8.290 nan 0.000 0.554 143 K N -0.180 120.200 120.400 -0.032 0.000 2.152 143 K HA -0.018 4.301 4.320 -0.001 0.000 0.206 143 K C 2.334 178.935 176.600 0.002 0.000 1.048 143 K CA 0.905 57.191 56.287 -0.002 0.000 0.933 143 K CB -0.190 32.287 32.500 -0.038 0.000 0.721 143 K HN 0.378 nan 8.250 nan 0.000 0.447 144 I N -0.162 120.315 120.570 -0.154 0.000 2.193 144 I HA -0.226 3.944 4.170 -0.001 0.000 0.240 144 I C 1.896 177.998 176.117 -0.025 0.000 1.084 144 I CA 1.326 62.505 61.300 -0.201 0.000 1.365 144 I CB -0.316 37.408 38.000 -0.460 0.000 1.064 144 I HN 0.058 nan 8.210 nan 0.000 0.410 145 F N 1.251 121.286 119.950 0.142 0.000 2.161 145 F HA -0.208 4.318 4.527 -0.001 0.000 0.300 145 F C 2.517 178.437 175.800 0.201 0.000 1.089 145 F CA 1.109 59.232 58.000 0.205 0.000 1.282 145 F CB -0.411 38.710 39.000 0.201 0.000 1.010 145 F HN 0.102 nan 8.300 nan 0.000 0.485 146 E N -0.327 120.068 120.200 0.325 0.000 2.208 146 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 146 E C 1.885 178.606 176.600 0.202 0.000 0.988 146 E CA 0.789 57.326 56.400 0.229 0.000 0.828 146 E CB -0.345 29.455 29.700 0.167 0.000 0.763 146 E HN 0.439 nan 8.360 nan 0.000 0.478 147 F N 1.182 121.180 119.950 0.080 0.000 2.216 147 F HA -0.100 4.426 4.527 -0.002 0.000 0.300 147 F C 1.533 177.385 175.800 0.086 0.000 1.085 147 F CA 1.075 59.108 58.000 0.055 0.000 1.326 147 F CB 0.187 39.195 39.000 0.012 0.000 1.027 147 F HN -0.108 nan 8.300 nan 0.000 0.497 148 L N 0.045 121.435 121.223 0.278 0.000 2.728 148 L HA 0.304 4.643 4.340 -0.001 0.000 0.235 148 L C 1.312 178.316 176.870 0.223 0.000 1.197 148 L CA 0.372 55.363 54.840 0.252 0.000 0.992 148 L CB -0.736 41.546 42.059 0.373 0.000 1.263 148 L HN 0.337 nan 8.230 nan 0.000 0.484 149 G N 0.770 109.651 108.800 0.135 0.000 2.198 149 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.257 149 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.257 149 G C -0.105 174.876 174.900 0.135 0.000 1.042 149 G CA 0.054 45.218 45.100 0.106 0.000 0.791 149 G HN 0.287 nan 8.290 nan 0.000 0.502 150 L N 0.269 121.607 121.223 0.192 0.000 2.333 150 L HA 0.737 5.076 4.340 -0.001 0.000 0.269 150 L C 0.897 177.858 176.870 0.151 0.000 1.010 150 L CA -0.587 54.350 54.840 0.161 0.000 0.818 150 L CB 2.193 44.371 42.059 0.197 0.000 1.306 150 L HN 0.318 nan 8.230 nan 0.000 0.430 151 T N -0.721 113.894 114.554 0.102 0.000 2.837 151 T HA 0.623 4.972 4.350 -0.001 0.000 0.285 151 T C -0.415 174.345 174.700 0.100 0.000 0.984 151 T CA -0.685 61.474 62.100 0.098 0.000 1.049 151 T CB 1.581 70.492 68.868 0.072 0.000 0.947 151 T HN 0.190 nan 8.240 nan 0.000 0.472 152 V N 2.652 122.641 119.914 0.124 0.000 2.417 152 V HA 0.763 4.882 4.120 -0.001 0.000 0.291 152 V C 0.814 176.970 176.094 0.103 0.000 1.024 152 V CA -0.632 61.755 62.300 0.144 0.000 0.861 152 V CB 1.476 33.429 31.823 0.218 0.000 0.985 152 V HN 1.236 nan 8.190 nan 0.000 0.436 153 G N 3.309 112.169 108.800 0.100 0.000 2.432 153 G HA2 0.684 4.643 3.960 -0.001 0.000 0.331 153 G HA3 0.684 4.643 3.960 -0.001 0.000 0.331 153 G C -1.652 173.279 174.900 0.051 0.000 1.170 153 G CA -0.604 44.526 45.100 0.050 0.000 0.943 153 G HN 0.569 nan 8.290 nan 0.000 0.483 154 L N 1.017 122.241 121.223 0.002 0.000 2.372 154 L HA 0.568 4.907 4.340 -0.001 0.000 0.274 154 L C -0.837 176.001 176.870 -0.054 0.000 0.988 154 L CA -1.085 53.752 54.840 -0.006 0.000 0.833 154 L CB 1.764 43.814 42.059 -0.015 0.000 1.236 154 L HN 0.486 nan 8.230 nan 0.000 0.410 155 N N 5.417 124.056 118.700 -0.101 0.000 2.485 155 N HA 0.565 5.304 4.740 -0.001 0.000 0.243 155 N C -1.611 173.875 175.510 -0.040 0.000 0.987 155 N CA -0.216 52.754 53.050 -0.134 0.000 0.940 155 N CB 0.519 38.799 38.487 -0.345 0.000 1.122 155 N HN 0.657 nan 8.380 nan 0.000 0.509 156 L N 2.301 123.523 121.223 -0.001 0.000 2.333 156 L HA 0.434 4.773 4.340 -0.001 0.000 0.269 156 L C 1.642 178.540 176.870 0.047 0.000 1.010 156 L CA -0.932 53.926 54.840 0.029 0.000 0.818 156 L CB 1.520 43.596 42.059 0.028 0.000 1.306 156 L HN 0.559 nan 8.230 nan 0.000 0.430 157 N N 0.713 119.449 118.700 0.061 0.000 2.205 157 N HA -0.182 4.558 4.740 -0.001 0.000 0.186 157 N C 1.461 176.994 175.510 0.037 0.000 1.015 157 N CA 1.762 54.847 53.050 0.057 0.000 0.862 157 N CB 0.299 38.824 38.487 0.063 0.000 0.986 157 N HN 0.756 nan 8.380 nan 0.000 0.429 158 S N -0.525 115.197 115.700 0.036 0.000 2.607 158 S HA 0.085 4.555 4.470 -0.001 0.000 0.224 158 S C 0.966 175.582 174.600 0.027 0.000 0.969 158 S CA -0.127 58.090 58.200 0.027 0.000 0.927 158 S CB -0.157 63.060 63.200 0.028 0.000 0.772 158 S HN 0.194 nan 8.310 nan 0.000 0.533 159 M N 2.839 122.458 119.600 0.032 0.000 2.249 159 M HA 0.329 4.808 4.480 -0.001 0.000 0.351 159 M C 0.625 176.949 176.300 0.039 0.000 1.180 159 M CA -0.486 54.835 55.300 0.034 0.000 1.127 159 M CB 1.587 34.208 32.600 0.035 0.000 1.546 159 M HN 0.328 nan 8.290 nan 0.000 0.461 160 S N 2.109 117.831 115.700 0.036 0.000 2.608 160 S HA 0.241 4.710 4.470 -0.001 0.000 0.261 160 S C 1.008 175.639 174.600 0.051 0.000 1.314 160 S CA -0.657 57.565 58.200 0.037 0.000 0.992 160 S CB 0.878 64.096 63.200 0.030 0.000 0.935 160 S HN 0.634 nan 8.310 nan 0.000 0.564 161 K N 1.050 121.480 120.400 0.049 0.000 2.044 161 K HA -0.140 4.179 4.320 -0.001 0.000 0.210 161 K C 1.594 178.234 176.600 0.068 0.000 1.049 161 K CA 1.900 58.224 56.287 0.061 0.000 0.927 161 K CB -0.988 31.540 32.500 0.046 0.000 0.713 161 K HN 0.676 nan 8.250 nan 0.000 0.443 162 D N 0.619 121.050 120.400 0.051 0.000 2.104 162 D HA -0.165 4.475 4.640 -0.001 0.000 0.194 162 D C 1.897 178.234 176.300 0.061 0.000 0.994 162 D CA 1.055 55.085 54.000 0.051 0.000 0.830 162 D CB -0.137 40.684 40.800 0.035 0.000 0.959 162 D HN 0.399 nan 8.370 nan 0.000 0.452 163 E N 0.434 120.667 120.200 0.055 0.000 2.150 163 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 163 E C 1.727 178.369 176.600 0.070 0.000 0.985 163 E CA 0.823 57.254 56.400 0.053 0.000 0.814 163 E CB 0.188 29.912 29.700 0.039 0.000 0.752 163 E HN 0.145 nan 8.360 nan 0.000 0.466 164 K N 0.069 120.528 120.400 0.098 0.000 2.062 164 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 164 K C 2.337 179.095 176.600 0.264 0.000 1.051 164 K CA 0.947 57.327 56.287 0.156 0.000 0.941 164 K CB -0.078 32.543 32.500 0.203 0.000 0.719 164 K HN -0.010 nan 8.250 nan 0.000 0.440 165 R N 1.050 121.674 120.500 0.207 0.000 2.096 165 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 165 R C 2.043 178.453 176.300 0.182 0.000 1.127 165 R CA 1.581 57.801 56.100 0.201 0.000 0.968 165 R CB 0.043 30.411 30.300 0.113 0.000 0.861 165 R HN 0.024 nan 8.270 nan 0.000 0.440 166 E N 0.304 120.579 120.200 0.124 0.000 2.072 166 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 166 E C 1.642 178.298 176.600 0.093 0.000 0.985 166 E CA 1.564 58.022 56.400 0.095 0.000 0.801 166 E CB -0.184 29.555 29.700 0.066 0.000 0.750 166 E HN 0.413 nan 8.360 nan 0.000 0.452 167 A N -0.663 122.197 122.820 0.068 0.000 1.972 167 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 167 A C 1.967 179.546 177.584 -0.009 0.000 1.169 167 A CA 1.379 53.414 52.037 -0.003 0.000 0.635 167 A CB -0.872 18.076 19.000 -0.087 0.000 0.810 167 A HN 0.446 nan 8.150 nan 0.000 0.446 168 Y N -0.843 119.499 120.300 0.070 0.000 2.516 168 Y HA 0.113 4.662 4.550 -0.002 0.000 0.291 168 Y C 2.536 178.501 175.900 0.108 0.000 1.131 168 Y CA 0.527 58.686 58.100 0.098 0.000 1.281 168 Y CB 0.093 38.610 38.460 0.096 0.000 1.013 168 Y HN 0.360 nan 8.280 nan 0.000 0.554 169 A N 0.031 122.982 122.820 0.219 0.000 2.132 169 A HA 0.374 4.693 4.320 -0.001 0.000 0.213 169 A C 1.519 179.170 177.584 0.111 0.000 1.154 169 A CA 0.445 52.571 52.037 0.148 0.000 0.753 169 A CB -0.658 18.409 19.000 0.111 0.000 0.826 169 A HN 0.215 nan 8.150 nan 0.000 0.469 170 A N 0.187 123.069 122.820 0.104 0.000 2.409 170 A HA 0.254 4.573 4.320 -0.001 0.000 0.246 170 A C 0.784 178.412 177.584 0.074 0.000 1.099 170 A CA 0.359 52.443 52.037 0.078 0.000 0.789 170 A CB 0.155 19.197 19.000 0.070 0.000 1.053 170 A HN 0.352 nan 8.150 nan 0.000 0.503 171 D N -0.593 119.835 120.400 0.045 0.000 2.183 171 D HA 0.025 4.664 4.640 -0.001 0.000 0.203 171 D C 0.297 176.593 176.300 -0.006 0.000 0.969 171 D CA 1.467 55.477 54.000 0.016 0.000 0.842 171 D CB 0.004 40.798 40.800 -0.010 0.000 0.957 171 D HN 0.471 nan 8.370 nan 0.000 0.484 172 I N -0.035 120.522 120.570 -0.023 0.000 2.582 172 I HA 0.186 4.356 4.170 -0.001 0.000 0.292 172 I C -0.704 175.434 176.117 0.035 0.000 1.066 172 I CA -0.387 60.871 61.300 -0.069 0.000 1.053 172 I CB 2.659 40.479 38.000 -0.299 0.000 1.241 172 I HN -0.377 nan 8.210 nan 0.000 0.421 173 T N 4.135 118.710 114.554 0.036 0.000 2.890 173 T HA 0.448 4.797 4.350 -0.001 0.000 0.295 173 T C -0.953 173.720 174.700 -0.045 0.000 0.993 173 T CA -0.533 61.580 62.100 0.023 0.000 0.979 173 T CB 0.576 69.409 68.868 -0.058 0.000 0.967 173 T HN 0.134 nan 8.240 nan 0.000 0.441 174 Y N 1.768 122.022 120.300 -0.077 0.000 2.308 174 Y HA 0.648 5.197 4.550 -0.001 0.000 0.329 174 Y C 0.975 176.809 175.900 -0.110 0.000 1.111 174 Y CA 0.100 58.158 58.100 -0.070 0.000 1.179 174 Y CB 1.601 40.035 38.460 -0.043 0.000 1.201 174 Y HN 0.689 nan 8.280 nan 0.000 0.483 175 S N 0.392 116.099 115.700 0.013 0.000 2.703 175 S HA 0.644 5.113 4.470 -0.001 0.000 0.273 175 S C -0.920 173.682 174.600 0.005 0.000 1.178 175 S CA -0.494 57.695 58.200 -0.018 0.000 0.838 175 S CB 0.792 63.931 63.200 -0.101 0.000 1.178 175 S HN 0.682 nan 8.310 nan 0.000 0.494 176 T N 0.300 114.863 114.554 0.015 0.000 2.950 176 T HA 0.489 4.838 4.350 -0.001 0.000 0.288 176 T C 0.881 175.583 174.700 0.004 0.000 1.035 176 T CA -0.809 61.300 62.100 0.016 0.000 1.028 176 T CB 0.912 69.808 68.868 0.046 0.000 1.109 176 T HN 0.537 nan 8.240 nan 0.000 0.514 177 N N 1.462 120.130 118.700 -0.053 0.000 2.104 177 N HA -0.155 4.585 4.740 -0.001 0.000 0.190 177 N C 1.606 176.989 175.510 -0.212 0.000 1.024 177 N CA 1.363 54.313 53.050 -0.166 0.000 0.853 177 N CB -0.403 37.716 38.487 -0.613 0.000 1.008 177 N HN 0.625 nan 8.380 nan 0.000 0.424 178 N N 1.131 119.803 118.700 -0.046 0.000 2.084 178 N HA -0.120 4.619 4.740 -0.001 0.000 0.190 178 N C 1.403 176.917 175.510 0.007 0.000 1.030 178 N CA 0.853 53.914 53.050 0.017 0.000 0.849 178 N CB -0.115 38.497 38.487 0.210 0.000 1.012 178 N HN 0.233 nan 8.380 nan 0.000 0.423 179 E N 1.510 121.786 120.200 0.127 0.000 2.077 179 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 179 E C 2.334 178.994 176.600 0.101 0.000 0.989 179 E CA 0.459 56.973 56.400 0.189 0.000 0.800 179 E CB -0.366 29.417 29.700 0.138 0.000 0.746 179 E HN 0.375 nan 8.360 nan 0.000 0.452 180 L N -0.186 121.030 121.223 -0.011 0.000 2.017 180 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 180 L C 2.481 179.078 176.870 -0.455 0.000 1.073 180 L CA 1.454 56.265 54.840 -0.049 0.000 0.745 180 L CB -0.795 41.301 42.059 0.061 0.000 0.894 180 L HN 0.195 nan 8.230 nan 0.000 0.432 181 G N -0.587 107.750 108.800 -0.772 0.000 2.421 181 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.216 181 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.216 181 G C 1.500 176.229 174.900 -0.285 0.000 1.171 181 G CA 0.453 44.996 45.100 -0.928 0.000 0.775 181 G HN 0.239 nan 8.290 nan 0.000 0.543 182 F N 1.123 121.028 119.950 -0.074 0.000 2.171 182 F HA -0.058 4.469 4.527 -0.001 0.000 0.300 182 F C 2.535 178.350 175.800 0.025 0.000 1.090 182 F CA 0.884 58.895 58.000 0.017 0.000 1.293 182 F CB 0.113 39.135 39.000 0.036 0.000 1.013 182 F HN 0.069 nan 8.300 nan 0.000 0.486 183 D N -0.725 119.798 120.400 0.205 0.000 2.144 183 D HA -0.217 4.422 4.640 -0.001 0.000 0.200 183 D C 1.830 178.177 176.300 0.080 0.000 0.978 183 D CA 1.112 55.195 54.000 0.138 0.000 0.833 183 D CB -0.622 40.279 40.800 0.168 0.000 0.961 183 D HN 0.313 nan 8.370 nan 0.000 0.470 184 Y N 1.607 121.893 120.300 -0.024 0.000 2.145 184 Y HA -0.167 4.382 4.550 -0.001 0.000 0.286 184 Y C 2.193 178.119 175.900 0.043 0.000 1.145 184 Y CA 1.351 59.464 58.100 0.021 0.000 1.148 184 Y CB -0.419 38.100 38.460 0.099 0.000 0.981 184 Y HN -0.101 nan 8.280 nan 0.000 0.507 185 L N -0.284 120.986 121.223 0.077 0.000 2.046 185 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 185 L C 2.633 179.476 176.870 -0.046 0.000 1.077 185 L CA 1.543 56.419 54.840 0.059 0.000 0.747 185 L CB -0.507 41.708 42.059 0.261 0.000 0.896 185 L HN 0.150 nan 8.230 nan 0.000 0.432 186 R N -0.187 120.318 120.500 0.008 0.000 2.092 186 R HA -0.136 4.203 4.340 -0.001 0.000 0.231 186 R C 1.803 178.048 176.300 -0.091 0.000 1.119 186 R CA 1.242 57.334 56.100 -0.014 0.000 0.970 186 R CB -0.238 30.081 30.300 0.032 0.000 0.864 186 R HN 0.281 nan 8.270 nan 0.000 0.440 187 D N 0.267 120.581 120.400 -0.142 0.000 2.218 187 D HA -0.102 4.537 4.640 -0.001 0.000 0.204 187 D C 0.854 177.002 176.300 -0.253 0.000 0.976 187 D CA 0.985 54.882 54.000 -0.171 0.000 0.853 187 D CB -0.145 40.539 40.800 -0.192 0.000 0.939 187 D HN 0.152 nan 8.370 nan 0.000 0.481 188 N N -0.375 118.075 118.700 -0.417 0.000 2.313 188 N HA 0.125 4.864 4.740 -0.001 0.000 0.207 188 N C 0.669 175.928 175.510 -0.419 0.000 1.141 188 N CA 0.112 52.798 53.050 -0.607 0.000 0.830 188 N CB 0.510 38.198 38.487 -1.331 0.000 1.008 188 N HN 0.280 nan 8.380 nan 0.000 0.481 189 M N -0.351 119.122 119.600 -0.213 0.000 2.340 189 M HA 0.179 4.658 4.480 -0.001 0.000 0.345 189 M C 0.132 176.388 176.300 -0.074 0.000 1.008 189 M CA -0.019 55.219 55.300 -0.103 0.000 0.987 189 M CB 1.555 34.136 32.600 -0.032 0.000 1.598 189 M HN -0.267 nan 8.290 nan 0.000 0.569 190 V N 1.506 121.368 119.914 -0.086 0.000 2.843 190 V HA -0.053 4.066 4.120 -0.001 0.000 0.305 190 V C 1.032 177.077 176.094 -0.081 0.000 1.065 190 V CA 0.368 62.640 62.300 -0.048 0.000 1.116 190 V CB 1.564 33.371 31.823 -0.025 0.000 0.968 190 V HN 0.372 nan 8.190 nan 0.000 0.487 191 L N 5.638 126.812 121.223 -0.081 0.000 2.354 191 L HA 0.307 4.646 4.340 -0.001 0.000 0.212 191 L C -0.280 176.305 176.870 -0.476 0.000 1.091 191 L CA 1.082 55.753 54.840 -0.282 0.000 0.828 191 L CB 0.044 41.906 42.059 -0.329 0.000 0.973 191 L HN 0.633 nan 8.230 nan 0.000 0.461 192 Y N -1.119 119.159 120.300 -0.037 0.000 2.373 192 Y HA 0.263 4.813 4.550 -0.001 0.000 0.336 192 Y C 1.056 176.939 175.900 -0.027 0.000 0.979 192 Y CA -0.947 57.132 58.100 -0.036 0.000 1.080 192 Y CB 1.423 39.870 38.460 -0.022 0.000 1.190 192 Y HN -0.162 nan 8.280 nan 0.000 0.446 193 K N 0.950 121.410 120.400 0.099 0.000 2.228 193 K HA -0.249 4.071 4.320 -0.001 0.000 0.205 193 K C 0.714 177.374 176.600 0.100 0.000 1.045 193 K CA 2.063 58.401 56.287 0.086 0.000 0.931 193 K CB 0.249 32.776 32.500 0.046 0.000 0.727 193 K HN 0.670 nan 8.250 nan 0.000 0.458 194 E N 0.465 120.727 120.200 0.104 0.000 2.427 194 E HA -0.086 4.263 4.350 -0.001 0.000 0.196 194 E C 1.463 178.097 176.600 0.057 0.000 1.028 194 E CA 0.740 57.179 56.400 0.065 0.000 0.864 194 E CB 0.165 29.884 29.700 0.033 0.000 0.813 194 E HN 0.437 nan 8.360 nan 0.000 0.514 195 Q N -0.549 119.300 119.800 0.082 0.000 2.331 195 Q HA 0.101 4.440 4.340 -0.001 0.000 0.203 195 Q C 0.422 176.445 176.000 0.037 0.000 0.944 195 Q CA 0.156 55.998 55.803 0.064 0.000 0.892 195 Q CB 0.024 28.821 28.738 0.098 0.000 0.983 195 Q HN 0.308 nan 8.270 nan 0.000 0.482 196 M N 0.422 120.039 119.600 0.029 0.000 2.252 196 M HA -0.089 4.391 4.480 -0.001 0.000 0.321 196 M C 1.228 177.517 176.300 -0.019 0.000 1.070 196 M CA 0.177 55.471 55.300 -0.010 0.000 1.143 196 M CB 0.699 33.294 32.600 -0.010 0.000 1.498 196 M HN 0.069 nan 8.290 nan 0.000 0.445 197 V N -1.218 118.653 119.914 -0.072 0.000 3.307 197 V HA 0.177 4.296 4.120 -0.001 0.000 0.244 197 V C 0.562 176.478 176.094 -0.296 0.000 1.196 197 V CA 0.088 62.344 62.300 -0.074 0.000 1.132 197 V CB -0.170 31.663 31.823 0.017 0.000 0.875 197 V HN 0.824 nan 8.190 nan 0.000 0.468 198 Q N 1.104 120.618 119.800 -0.477 0.000 2.260 198 Q HA 0.524 4.863 4.340 -0.001 0.000 0.238 198 Q C -0.494 175.380 176.000 -0.210 0.000 0.948 198 Q CA -0.490 54.924 55.803 -0.649 0.000 0.895 198 Q CB 1.701 30.136 28.738 -0.504 0.000 1.218 198 Q HN 0.440 nan 8.270 nan 0.000 0.470 199 R N 0.817 121.272 120.500 -0.075 0.000 2.608 199 R HA 0.419 4.758 4.340 -0.001 0.000 0.255 199 R C -2.230 174.052 176.300 -0.030 0.000 1.086 199 R CA -1.919 54.176 56.100 -0.008 0.000 1.125 199 R CB 0.086 30.424 30.300 0.063 0.000 1.193 199 R HN 0.424 nan 8.270 nan 0.000 0.553 200 P HA -0.046 nan 4.420 nan 0.000 0.265 200 P C -0.799 176.443 177.300 -0.097 0.000 1.187 200 P CA 0.410 63.455 63.100 -0.092 0.000 0.766 200 P CB 0.370 32.017 31.700 -0.088 0.000 0.820 201 L N 3.064 124.163 121.223 -0.208 0.000 2.433 201 L HA 0.107 4.446 4.340 -0.001 0.000 0.284 201 L C 1.558 178.289 176.870 -0.233 0.000 1.120 201 L CA -0.081 54.481 54.840 -0.463 0.000 0.879 201 L CB -0.189 41.266 42.059 -1.008 0.000 1.232 201 L HN 0.592 nan 8.230 nan 0.000 0.454 202 H N 4.121 123.099 119.070 -0.153 0.000 2.297 202 H HA 0.190 4.745 4.556 -0.002 0.000 0.317 202 H C -0.702 174.779 175.328 0.255 0.000 1.062 202 H CA 0.704 56.765 56.048 0.022 0.000 1.431 202 H CB 0.509 30.273 29.762 0.003 0.000 1.452 202 H HN 0.363 nan 8.280 nan 0.000 0.565 203 F N 0.781 120.578 119.950 -0.254 0.000 2.573 203 F HA 0.670 5.197 4.527 -0.001 0.000 0.316 203 F C -1.568 174.132 175.800 -0.167 0.000 1.148 203 F CA -1.000 56.810 58.000 -0.317 0.000 0.940 203 F CB 1.322 39.923 39.000 -0.665 0.000 1.214 203 F HN 0.332 nan 8.300 nan 0.000 0.448 204 A N 5.182 127.674 122.820 -0.546 0.000 2.343 204 A HA 0.764 5.083 4.320 -0.001 0.000 0.316 204 A C -1.841 175.188 177.584 -0.925 0.000 1.104 204 A CA -0.668 50.916 52.037 -0.756 0.000 0.768 204 A CB 1.437 19.822 19.000 -1.025 0.000 1.213 204 A HN 0.565 nan 8.150 nan 0.000 0.456 205 V N 4.297 123.716 119.914 -0.826 0.000 2.313 205 V HA 0.301 4.421 4.120 -0.001 0.000 0.278 205 V C -0.332 175.460 176.094 -0.503 0.000 1.017 205 V CA -0.046 61.844 62.300 -0.682 0.000 0.823 205 V CB 0.726 32.187 31.823 -0.603 0.000 1.010 205 V HN 0.720 nan 8.190 nan 0.000 0.443 206 I N 3.853 124.119 120.570 -0.506 0.000 2.304 206 I HA 0.316 4.486 4.170 -0.001 0.000 0.291 206 I C 0.238 176.153 176.117 -0.337 0.000 1.018 206 I CA -0.235 60.777 61.300 -0.480 0.000 1.260 206 I CB 1.162 38.754 38.000 -0.680 0.000 1.390 206 I HN 0.501 nan 8.210 nan 0.000 0.475 207 D N 5.773 126.020 120.400 -0.254 0.000 2.344 207 D HA 0.034 4.673 4.640 -0.001 0.000 0.244 207 D C 0.361 176.565 176.300 -0.159 0.000 1.134 207 D CA 0.331 54.225 54.000 -0.177 0.000 0.930 207 D CB 0.717 41.444 40.800 -0.123 0.000 1.175 207 D HN 0.420 nan 8.370 nan 0.000 0.437 208 E N 0.779 120.909 120.200 -0.116 0.000 2.238 208 E HA -0.188 4.161 4.350 -0.001 0.000 0.219 208 E C 1.118 177.665 176.600 -0.088 0.000 1.275 208 E CA 0.275 56.629 56.400 -0.078 0.000 0.714 208 E CB -1.787 27.886 29.700 -0.044 0.000 1.154 208 E HN 0.337 nan 8.360 nan 0.000 0.363 209 V N 1.013 120.841 119.914 -0.143 0.000 2.568 209 V HA -0.300 3.819 4.120 -0.001 0.000 0.253 209 V C 2.161 178.270 176.094 0.024 0.000 1.072 209 V CA 2.703 64.905 62.300 -0.163 0.000 1.084 209 V CB -0.101 31.540 31.823 -0.303 0.000 0.676 209 V HN 0.474 nan 8.190 nan 0.000 0.469 210 D N -1.393 119.071 120.400 0.106 0.000 2.149 210 D HA -0.125 4.514 4.640 -0.001 0.000 0.201 210 D C 2.116 178.498 176.300 0.137 0.000 0.972 210 D CA 1.480 55.639 54.000 0.266 0.000 0.835 210 D CB -0.395 40.538 40.800 0.221 0.000 0.966 210 D HN 0.469 nan 8.370 nan 0.000 0.476 211 S N 0.398 116.147 115.700 0.082 0.000 2.345 211 S HA -0.055 4.415 4.470 -0.001 0.000 0.220 211 S C 2.064 176.742 174.600 0.129 0.000 1.031 211 S CA 0.576 58.828 58.200 0.087 0.000 0.996 211 S CB -0.081 63.158 63.200 0.065 0.000 0.882 211 S HN 0.220 nan 8.310 nan 0.000 0.445 212 I N 1.459 122.088 120.570 0.097 0.000 2.179 212 I HA -0.080 4.089 4.170 -0.001 0.000 0.242 212 I C 1.912 178.158 176.117 0.215 0.000 1.088 212 I CA 1.523 62.913 61.300 0.149 0.000 1.357 212 I CB -1.324 36.626 38.000 -0.083 0.000 1.051 212 I HN 0.274 nan 8.210 nan 0.000 0.409 213 L N -0.724 120.555 121.223 0.095 0.000 2.585 213 L HA 0.083 4.422 4.340 -0.001 0.000 0.226 213 L C 1.985 178.959 176.870 0.174 0.000 1.113 213 L CA 0.056 54.955 54.840 0.099 0.000 0.876 213 L CB 0.208 42.107 42.059 -0.267 0.000 1.072 213 L HN 0.109 nan 8.230 nan 0.000 0.468 214 I N -0.696 119.943 120.570 0.115 0.000 3.523 214 I HA 0.020 4.190 4.170 -0.001 0.000 0.244 214 I C 1.766 177.937 176.117 0.089 0.000 1.110 214 I CA 0.684 62.015 61.300 0.052 0.000 1.517 214 I CB -0.876 37.094 38.000 -0.049 0.000 1.505 214 I HN 0.078 nan 8.210 nan 0.000 0.460 215 D N 1.379 121.833 120.400 0.091 0.000 2.144 215 D HA -0.139 4.501 4.640 -0.001 0.000 0.200 215 D C 1.212 177.569 176.300 0.095 0.000 0.978 215 D CA 1.244 55.296 54.000 0.087 0.000 0.833 215 D CB 0.031 40.880 40.800 0.082 0.000 0.961 215 D HN 0.465 nan 8.370 nan 0.000 0.470 216 E N -0.098 120.188 120.200 0.143 0.000 2.558 216 E HA 0.316 4.665 4.350 -0.001 0.000 0.205 216 E C 1.448 178.126 176.600 0.130 0.000 1.006 216 E CA -0.211 56.261 56.400 0.120 0.000 0.961 216 E CB 0.770 30.605 29.700 0.226 0.000 1.044 216 E HN 0.082 nan 8.360 nan 0.000 0.465 217 A N 1.506 124.437 122.820 0.185 0.000 1.948 217 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 217 A C 1.950 179.614 177.584 0.134 0.000 1.177 217 A CA 1.241 53.424 52.037 0.243 0.000 0.636 217 A CB -0.214 18.931 19.000 0.243 0.000 0.815 217 A HN 0.129 nan 8.150 nan 0.000 0.449 218 R N -0.112 120.407 120.500 0.033 0.000 2.356 218 R HA 0.083 4.422 4.340 -0.001 0.000 0.234 218 R C -0.342 175.886 176.300 -0.120 0.000 0.929 218 R CA 0.058 56.150 56.100 -0.014 0.000 1.084 218 R CB -0.284 30.014 30.300 -0.004 0.000 1.105 218 R HN 0.310 nan 8.270 nan 0.000 0.515 219 T N 4.106 118.485 114.554 -0.292 0.000 2.778 219 T HA 0.045 4.394 4.350 -0.001 0.000 0.282 219 T C -2.334 172.142 174.700 -0.374 0.000 0.983 219 T CA -0.549 61.260 62.100 -0.484 0.000 1.193 219 T CB 0.655 68.814 68.868 -1.182 0.000 0.938 219 T HN 0.001 nan 8.240 nan 0.000 0.523 220 P HA 0.330 nan 4.420 nan 0.000 0.281 220 P C -0.678 176.565 177.300 -0.095 0.000 1.252 220 P CA -0.372 62.669 63.100 -0.098 0.000 0.778 220 P CB 0.558 32.234 31.700 -0.040 0.000 0.895 221 L N 5.142 126.318 121.223 -0.078 0.000 2.316 221 L HA 0.520 4.859 4.340 -0.001 0.000 0.280 221 L C -0.084 176.855 176.870 0.115 0.000 1.006 221 L CA -0.395 54.353 54.840 -0.153 0.000 0.836 221 L CB 0.727 42.509 42.059 -0.461 0.000 1.221 221 L HN 0.242 nan 8.230 nan 0.000 0.418 222 I N 4.016 124.783 120.570 0.328 0.000 2.530 222 I HA 0.442 4.611 4.170 -0.001 0.000 0.297 222 I C -0.483 175.838 176.117 0.340 0.000 1.011 222 I CA -0.754 60.721 61.300 0.292 0.000 1.107 222 I CB 2.903 41.003 38.000 0.167 0.000 1.285 222 I HN 0.353 nan 8.210 nan 0.000 0.436 223 I N 4.035 124.746 120.570 0.236 0.000 2.390 223 I HA 0.273 4.442 4.170 -0.001 0.000 0.283 223 I C 0.034 176.212 176.117 0.101 0.000 1.016 223 I CA -0.044 61.347 61.300 0.152 0.000 1.151 223 I CB 1.176 39.274 38.000 0.164 0.000 1.293 223 I HN 0.510 nan 8.210 nan 0.000 0.458 224 S N 3.796 119.534 115.700 0.063 0.000 2.632 224 S HA 0.559 5.028 4.470 -0.001 0.000 0.271 224 S C 0.612 175.235 174.600 0.039 0.000 1.260 224 S CA -0.560 57.668 58.200 0.048 0.000 1.010 224 S CB 1.649 64.870 63.200 0.035 0.000 0.965 224 S HN 0.766 nan 8.310 nan 0.000 0.534 225 G N 1.374 110.197 108.800 0.038 0.000 2.355 225 G HA2 0.275 4.234 3.960 -0.001 0.000 0.276 225 G HA3 0.275 4.234 3.960 -0.001 0.000 0.276 225 G C 1.044 175.960 174.900 0.027 0.000 1.198 225 G CA -0.535 44.586 45.100 0.035 0.000 0.876 225 G HN 0.692 nan 8.290 nan 0.000 0.478 226 Q N 1.751 121.565 119.800 0.023 0.000 2.234 226 Q HA -0.058 4.282 4.340 -0.001 0.000 0.206 226 Q C 1.182 177.194 176.000 0.020 0.000 0.980 226 Q CA 1.273 57.087 55.803 0.017 0.000 0.869 226 Q CB -0.692 28.055 28.738 0.015 0.000 0.912 226 Q HN 0.540 nan 8.270 nan 0.000 0.436 227 A N 0.999 123.834 122.820 0.025 0.000 2.240 227 A HA 0.707 5.026 4.320 -0.001 0.000 0.292 227 A C -0.160 177.444 177.584 0.033 0.000 1.121 227 A CA -0.021 52.032 52.037 0.028 0.000 0.851 227 A CB 0.457 19.474 19.000 0.030 0.000 1.167 227 A HN 0.488 nan 8.150 nan 0.000 0.503 228 A N -0.265 122.577 122.820 0.037 0.000 2.330 228 A HA 0.638 4.957 4.320 -0.001 0.000 0.329 228 A C 0.214 177.833 177.584 0.059 0.000 1.135 228 A CA -0.637 51.428 52.037 0.047 0.000 0.817 228 A CB 0.662 19.689 19.000 0.046 0.000 1.269 228 A HN 0.895 nan 8.150 nan 0.000 0.469 229 K N 0.054 120.502 120.400 0.078 0.000 2.132 229 K HA 0.365 4.684 4.320 -0.001 0.000 0.240 229 K C 0.250 176.916 176.600 0.109 0.000 1.036 229 K CA -0.058 56.286 56.287 0.095 0.000 0.888 229 K CB 0.507 33.087 32.500 0.132 0.000 1.071 229 K HN 0.648 nan 8.250 nan 0.000 0.502 230 S N -0.587 115.176 115.700 0.104 0.000 2.578 230 S HA 0.139 4.609 4.470 -0.001 0.000 0.283 230 S C 0.737 175.440 174.600 0.172 0.000 1.195 230 S CA -0.397 57.863 58.200 0.101 0.000 1.050 230 S CB 1.164 64.394 63.200 0.050 0.000 1.012 230 S HN 0.718 nan 8.310 nan 0.000 0.511 231 T N 1.571 116.245 114.554 0.200 0.000 3.014 231 T HA 0.090 4.439 4.350 -0.001 0.000 0.250 231 T C 1.577 176.423 174.700 0.242 0.000 1.060 231 T CA 0.277 62.593 62.100 0.360 0.000 1.040 231 T CB -0.271 68.752 68.868 0.258 0.000 0.971 231 T HN 0.787 nan 8.240 nan 0.000 0.497 232 K N 1.002 121.467 120.400 0.108 0.000 2.107 232 K HA -0.181 4.138 4.320 -0.001 0.000 0.211 232 K C 2.023 178.635 176.600 0.020 0.000 1.049 232 K CA 1.498 57.821 56.287 0.060 0.000 0.927 232 K CB -0.816 31.700 32.500 0.027 0.000 0.714 232 K HN 0.240 nan 8.250 nan 0.000 0.452 233 L N 0.902 122.056 121.223 -0.116 0.000 2.141 233 L HA -0.062 4.277 4.340 -0.001 0.000 0.209 233 L C 2.006 178.766 176.870 -0.182 0.000 1.094 233 L CA 1.440 56.105 54.840 -0.292 0.000 0.763 233 L CB -0.671 40.952 42.059 -0.726 0.000 0.908 233 L HN 0.202 nan 8.230 nan 0.000 0.437 234 Y N -1.788 118.544 120.300 0.053 0.000 2.181 234 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 234 Y C 2.450 178.425 175.900 0.125 0.000 1.146 234 Y CA 1.434 59.643 58.100 0.182 0.000 1.164 234 Y CB -0.565 37.995 38.460 0.168 0.000 0.982 234 Y HN -0.040 nan 8.280 nan 0.000 0.515 235 V N 0.269 120.336 119.914 0.255 0.000 2.233 235 V HA -0.367 3.752 4.120 -0.001 0.000 0.247 235 V C 2.104 178.294 176.094 0.159 0.000 1.050 235 V CA 2.224 64.628 62.300 0.173 0.000 1.010 235 V CB -0.885 31.013 31.823 0.125 0.000 0.637 235 V HN 0.442 nan 8.190 nan 0.000 0.444 236 Q N -0.090 119.798 119.800 0.147 0.000 2.096 236 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 236 Q C 2.406 178.587 176.000 0.302 0.000 0.982 236 Q CA 1.842 57.755 55.803 0.183 0.000 0.850 236 Q CB -0.494 28.364 28.738 0.200 0.000 0.901 236 Q HN 0.682 nan 8.270 nan 0.000 0.422 237 A N 1.294 124.282 122.820 0.279 0.000 1.902 237 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 237 A C 1.848 179.615 177.584 0.304 0.000 1.181 237 A CA 1.866 54.093 52.037 0.316 0.000 0.623 237 A CB -0.769 18.355 19.000 0.207 0.000 0.818 237 A HN 0.398 nan 8.150 nan 0.000 0.443 238 N N 0.062 118.903 118.700 0.235 0.000 2.084 238 N HA -0.073 4.666 4.740 -0.001 0.000 0.190 238 N C 1.784 177.359 175.510 0.108 0.000 1.030 238 N CA 2.002 55.162 53.050 0.183 0.000 0.849 238 N CB -0.383 38.229 38.487 0.208 0.000 1.012 238 N HN 0.347 nan 8.380 nan 0.000 0.423 239 A N -0.121 122.777 122.820 0.130 0.000 1.892 239 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 239 A C 2.188 179.810 177.584 0.062 0.000 1.188 239 A CA 1.563 53.647 52.037 0.077 0.000 0.631 239 A CB -1.306 17.738 19.000 0.073 0.000 0.822 239 A HN 0.531 nan 8.150 nan 0.000 0.447 240 F N 0.990 120.953 119.950 0.022 0.000 2.102 240 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 240 F C 2.138 177.942 175.800 0.006 0.000 1.105 240 F CA 2.019 60.034 58.000 0.026 0.000 1.239 240 F CB -0.501 38.625 39.000 0.210 0.000 0.991 240 F HN 0.010 nan 8.300 nan 0.000 0.474 241 V N 1.151 120.939 119.914 -0.211 0.000 2.568 241 V HA -0.285 3.834 4.120 -0.001 0.000 0.253 241 V C 2.365 178.212 176.094 -0.412 0.000 1.072 241 V CA 2.035 64.109 62.300 -0.377 0.000 1.084 241 V CB -0.876 30.786 31.823 -0.268 0.000 0.676 241 V HN 0.322 nan 8.190 nan 0.000 0.469 242 R N -0.400 119.898 120.500 -0.337 0.000 2.235 242 R HA -0.071 4.268 4.340 -0.001 0.000 0.213 242 R C 2.184 178.367 176.300 -0.196 0.000 1.059 242 R CA 1.391 57.347 56.100 -0.239 0.000 0.997 242 R CB -0.354 29.866 30.300 -0.134 0.000 0.884 242 R HN 0.495 nan 8.270 nan 0.000 0.462 243 T N 1.042 115.426 114.554 -0.284 0.000 3.014 243 T HA 0.101 4.450 4.350 -0.001 0.000 0.263 243 T C 0.907 175.470 174.700 -0.228 0.000 1.078 243 T CA 0.389 62.338 62.100 -0.252 0.000 1.135 243 T CB 0.093 68.774 68.868 -0.313 0.000 0.895 243 T HN 0.045 nan 8.240 nan 0.000 0.480 244 L N 1.412 122.477 121.223 -0.264 0.000 2.464 244 L HA 0.282 4.621 4.340 -0.001 0.000 0.264 244 L C 0.695 177.523 176.870 -0.070 0.000 1.199 244 L CA -0.426 54.338 54.840 -0.127 0.000 0.818 244 L CB 0.259 42.330 42.059 0.019 0.000 1.102 244 L HN -0.057 nan 8.230 nan 0.000 0.473 245 K N 0.425 120.724 120.400 -0.168 0.000 2.210 245 K HA 0.449 4.768 4.320 -0.001 0.000 0.236 245 K C 0.713 176.975 176.600 -0.563 0.000 1.016 245 K CA -0.299 55.846 56.287 -0.236 0.000 0.913 245 K CB 1.408 33.797 32.500 -0.184 0.000 1.141 245 K HN 0.615 nan 8.250 nan 0.000 0.462 246 A N 0.547 123.130 122.820 -0.396 0.000 1.858 246 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 246 A C 1.789 179.058 177.584 -0.525 0.000 1.190 246 A CA 2.172 53.945 52.037 -0.441 0.000 0.617 246 A CB -0.182 18.726 19.000 -0.155 0.000 0.827 246 A HN 0.727 nan 8.150 nan 0.000 0.443 247 E N -1.334 118.672 120.200 -0.323 0.000 2.364 247 E HA 0.177 4.526 4.350 -0.001 0.000 0.203 247 E C 0.569 177.067 176.600 -0.170 0.000 0.888 247 E CA 0.411 56.688 56.400 -0.204 0.000 0.989 247 E CB 0.378 30.023 29.700 -0.093 0.000 0.985 247 E HN 0.358 nan 8.360 nan 0.000 0.499 248 K N 0.962 121.261 120.400 -0.167 0.000 3.016 248 K HA 0.184 4.503 4.320 -0.001 0.000 0.226 248 K C -0.763 175.772 176.600 -0.108 0.000 1.245 248 K CA 0.113 56.340 56.287 -0.102 0.000 1.174 248 K CB 0.543 33.006 32.500 -0.063 0.000 1.572 248 K HN 0.028 nan 8.250 nan 0.000 0.462 249 D N -0.557 119.758 120.400 -0.142 0.000 1.996 249 D HA -0.002 4.638 4.640 -0.001 0.000 0.613 249 D C -0.781 175.560 176.300 0.068 0.000 0.806 249 D CA 0.345 54.306 54.000 -0.065 0.000 1.127 249 D CB 0.708 41.433 40.800 -0.125 0.000 1.417 249 D HN 0.288 nan 8.370 nan 0.000 0.450 250 Y N -1.334 118.982 120.300 0.027 0.000 2.687 250 Y HA 0.552 5.102 4.550 -0.002 0.000 0.338 250 Y C -0.823 175.115 175.900 0.064 0.000 1.189 250 Y CA -1.027 57.101 58.100 0.046 0.000 1.097 250 Y CB 0.703 39.190 38.460 0.045 0.000 1.342 250 Y HN -0.260 nan 8.280 nan 0.000 0.461 251 T N 0.312 115.099 114.554 0.388 0.000 2.844 251 T HA 0.711 5.060 4.350 -0.001 0.000 0.274 251 T C -2.258 172.686 174.700 0.407 0.000 0.991 251 T CA -0.446 61.833 62.100 0.298 0.000 0.983 251 T CB 1.108 70.076 68.868 0.167 0.000 1.310 251 T HN 0.980 nan 8.240 nan 0.000 0.596 252 Y N 1.061 121.450 120.300 0.149 0.000 2.246 252 Y HA 0.326 4.875 4.550 -0.001 0.000 0.315 252 Y C -1.317 174.628 175.900 0.075 0.000 1.251 252 Y CA -1.040 57.125 58.100 0.109 0.000 1.212 252 Y CB 0.910 39.447 38.460 0.130 0.000 1.277 252 Y HN 0.746 nan 8.280 nan 0.000 0.398 253 D N 4.418 124.568 120.400 -0.417 0.000 2.341 253 D HA 0.289 4.928 4.640 -0.001 0.000 0.245 253 D C 0.936 177.044 176.300 -0.320 0.000 1.106 253 D CA 0.220 54.062 54.000 -0.263 0.000 0.905 253 D CB 1.027 41.705 40.800 -0.203 0.000 1.202 253 D HN 0.585 nan 8.370 nan 0.000 0.426 254 I N 2.204 122.745 120.570 -0.048 0.000 2.130 254 I HA -0.128 4.042 4.170 -0.001 0.000 0.232 254 I C 2.186 178.307 176.117 0.006 0.000 1.064 254 I CA 0.470 61.804 61.300 0.056 0.000 1.338 254 I CB -0.462 37.584 38.000 0.078 0.000 1.084 254 I HN 0.428 nan 8.210 nan 0.000 0.404 255 K N 1.398 121.795 120.400 -0.006 0.000 2.001 255 K HA -0.177 4.142 4.320 -0.001 0.000 0.223 255 K C 0.963 177.546 176.600 -0.028 0.000 1.055 255 K CA 2.227 58.511 56.287 -0.006 0.000 0.965 255 K CB -1.082 31.412 32.500 -0.009 0.000 0.730 255 K HN 0.561 nan 8.250 nan 0.000 0.449 256 T N -1.353 113.158 114.554 -0.071 0.000 2.847 256 T HA 0.297 4.646 4.350 -0.001 0.000 0.279 256 T C 0.529 175.122 174.700 -0.179 0.000 0.984 256 T CA -0.814 61.233 62.100 -0.089 0.000 0.988 256 T CB 1.090 69.908 68.868 -0.083 0.000 1.040 256 T HN 0.037 nan 8.240 nan 0.000 0.528 257 K N 0.410 120.727 120.400 -0.137 0.000 2.476 257 K HA 0.314 4.633 4.320 -0.001 0.000 0.196 257 K C 0.853 177.309 176.600 -0.240 0.000 1.025 257 K CA -0.146 56.037 56.287 -0.173 0.000 1.138 257 K CB -0.590 31.904 32.500 -0.011 0.000 0.860 257 K HN 0.790 nan 8.250 nan 0.000 0.515 258 A N 1.259 123.938 122.820 -0.234 0.000 2.566 258 A HA 0.156 4.475 4.320 -0.001 0.000 0.245 258 A C 0.101 177.570 177.584 -0.191 0.000 1.056 258 A CA 0.113 52.060 52.037 -0.149 0.000 0.757 258 A CB 0.069 19.014 19.000 -0.092 0.000 0.979 258 A HN 0.008 nan 8.150 nan 0.000 0.508 259 V N 4.967 124.850 119.914 -0.053 0.000 2.409 259 V HA 0.334 4.453 4.120 -0.001 0.000 0.290 259 V C -0.095 176.023 176.094 0.040 0.000 1.017 259 V CA -0.387 61.929 62.300 0.028 0.000 0.841 259 V CB 1.023 32.883 31.823 0.062 0.000 1.003 259 V HN 1.019 nan 8.190 nan 0.000 0.426 260 Q N 2.895 122.745 119.800 0.084 0.000 2.348 260 Q HA 0.652 4.991 4.340 -0.001 0.000 0.271 260 Q C -1.125 174.961 176.000 0.143 0.000 1.067 260 Q CA -1.057 54.801 55.803 0.091 0.000 0.839 260 Q CB 3.088 31.877 28.738 0.085 0.000 1.354 260 Q HN 0.526 nan 8.270 nan 0.000 0.447 261 L N 1.127 122.420 121.223 0.118 0.000 2.421 261 L HA 0.385 4.724 4.340 -0.001 0.000 0.263 261 L C 0.214 177.153 176.870 0.114 0.000 1.122 261 L CA 0.437 55.362 54.840 0.142 0.000 0.804 261 L CB 1.453 43.564 42.059 0.086 0.000 1.150 261 L HN 0.874 nan 8.230 nan 0.000 0.457 262 T N -1.560 113.060 114.554 0.111 0.000 2.889 262 T HA 0.320 4.669 4.350 -0.001 0.000 0.278 262 T C 0.795 175.531 174.700 0.059 0.000 0.995 262 T CA -0.554 61.593 62.100 0.079 0.000 0.966 262 T CB 0.735 69.640 68.868 0.061 0.000 1.237 262 T HN 0.547 nan 8.240 nan 0.000 0.591 263 E N 0.334 120.567 120.200 0.054 0.000 2.110 263 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 263 E C 1.898 178.522 176.600 0.041 0.000 0.988 263 E CA 1.336 57.763 56.400 0.046 0.000 0.804 263 E CB -0.124 29.606 29.700 0.051 0.000 0.745 263 E HN 0.655 nan 8.360 nan 0.000 0.458 264 E N -0.404 119.821 120.200 0.040 0.000 2.031 264 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 264 E C 2.040 178.681 176.600 0.069 0.000 0.994 264 E CA 1.231 57.654 56.400 0.039 0.000 0.800 264 E CB -0.871 28.839 29.700 0.018 0.000 0.752 264 E HN 0.338 nan 8.360 nan 0.000 0.447 265 G N 0.542 109.393 108.800 0.085 0.000 2.440 265 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 265 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 265 G C 1.680 176.692 174.900 0.187 0.000 1.154 265 G CA 1.146 46.343 45.100 0.162 0.000 0.767 265 G HN 0.199 nan 8.290 nan 0.000 0.552 266 M N 0.467 120.114 119.600 0.078 0.000 2.117 266 M HA -0.041 4.438 4.480 -0.001 0.000 0.262 266 M C 2.619 178.916 176.300 -0.005 0.000 1.065 266 M CA 1.927 57.218 55.300 -0.015 0.000 1.114 266 M CB -0.198 32.351 32.600 -0.085 0.000 1.361 266 M HN 0.180 nan 8.290 nan 0.000 0.408 267 T N -0.082 114.490 114.554 0.029 0.000 2.821 267 T HA -0.158 4.192 4.350 -0.001 0.000 0.267 267 T C 1.663 176.400 174.700 0.060 0.000 1.046 267 T CA 1.647 63.764 62.100 0.030 0.000 1.139 267 T CB -0.199 68.689 68.868 0.034 0.000 0.871 267 T HN 0.368 nan 8.240 nan 0.000 0.454 268 K N 1.367 121.839 120.400 0.119 0.000 2.057 268 K HA 0.004 4.323 4.320 -0.001 0.000 0.207 268 K C 2.364 179.120 176.600 0.260 0.000 1.049 268 K CA 1.288 57.694 56.287 0.199 0.000 0.931 268 K CB -0.425 32.226 32.500 0.250 0.000 0.714 268 K HN 0.246 nan 8.250 nan 0.000 0.440 269 A N 0.944 123.886 122.820 0.203 0.000 1.858 269 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 269 A C 1.965 179.535 177.584 -0.023 0.000 1.190 269 A CA 1.946 53.880 52.037 -0.172 0.000 0.617 269 A CB -0.669 18.127 19.000 -0.339 0.000 0.827 269 A HN 0.498 nan 8.150 nan 0.000 0.443 270 E N -0.645 119.524 120.200 -0.052 0.000 2.118 270 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 270 E C 2.084 178.675 176.600 -0.014 0.000 0.992 270 E CA 1.583 57.947 56.400 -0.059 0.000 0.804 270 E CB -0.074 29.589 29.700 -0.062 0.000 0.741 270 E HN 0.529 nan 8.360 nan 0.000 0.458 271 K N 0.937 121.342 120.400 0.009 0.000 2.002 271 K HA -0.085 4.234 4.320 -0.001 0.000 0.209 271 K C 1.883 178.469 176.600 -0.024 0.000 1.048 271 K CA 1.562 57.853 56.287 0.007 0.000 0.930 271 K CB -0.487 32.030 32.500 0.029 0.000 0.714 271 K HN 0.094 nan 8.250 nan 0.000 0.438 272 A N -0.464 122.334 122.820 -0.037 0.000 1.933 272 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 272 A C 1.737 179.081 177.584 -0.400 0.000 1.175 272 A CA 1.456 53.373 52.037 -0.199 0.000 0.628 272 A CB -0.687 18.197 19.000 -0.193 0.000 0.814 272 A HN 0.370 nan 8.150 nan 0.000 0.444 273 F N -0.262 119.577 119.950 -0.185 0.000 2.693 273 F HA 0.374 4.900 4.527 -0.001 0.000 0.303 273 F C 1.620 177.330 175.800 -0.150 0.000 1.097 273 F CA 0.258 58.143 58.000 -0.191 0.000 1.330 273 F CB -0.186 38.638 39.000 -0.294 0.000 1.067 273 F HN 0.300 nan 8.300 nan 0.000 0.565 274 G N 2.481 111.280 108.800 -0.001 0.000 2.350 274 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.298 274 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.298 274 G C -0.072 174.825 174.900 -0.004 0.000 1.037 274 G CA 0.611 45.710 45.100 -0.001 0.000 1.074 274 G HN 0.575 nan 8.290 nan 0.000 0.511 275 I N -4.587 115.958 120.570 -0.042 0.000 2.969 275 I HA 0.622 4.791 4.170 -0.001 0.000 0.307 275 I C 0.265 176.361 176.117 -0.036 0.000 1.149 275 I CA -1.406 59.853 61.300 -0.068 0.000 1.008 275 I CB 1.660 39.452 38.000 -0.346 0.000 1.232 275 I HN -0.106 nan 8.210 nan 0.000 0.435 276 D N 1.625 122.038 120.400 0.022 0.000 2.216 276 D HA -0.010 4.629 4.640 -0.001 0.000 0.208 276 D C 0.092 176.408 176.300 0.027 0.000 0.960 276 D CA 1.325 55.344 54.000 0.032 0.000 0.861 276 D CB 0.303 41.136 40.800 0.056 0.000 0.985 276 D HN 0.703 nan 8.370 nan 0.000 0.493 277 N N 0.679 119.411 118.700 0.053 0.000 2.549 277 N HA 0.115 4.854 4.740 -0.001 0.000 0.281 277 N C 0.520 176.062 175.510 0.055 0.000 1.084 277 N CA -0.291 52.794 53.050 0.059 0.000 0.862 277 N CB 1.805 40.359 38.487 0.112 0.000 1.333 277 N HN -0.151 nan 8.380 nan 0.000 0.523 278 L N 2.960 124.116 121.223 -0.112 0.000 2.131 278 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 278 L C 0.804 177.617 176.870 -0.095 0.000 1.092 278 L CA 1.349 56.058 54.840 -0.220 0.000 0.759 278 L CB -0.162 41.662 42.059 -0.391 0.000 0.903 278 L HN 0.637 nan 8.230 nan 0.000 0.435 279 F N 0.056 120.012 119.950 0.010 0.000 2.802 279 F HA 0.001 4.528 4.527 -0.001 0.000 0.300 279 F C 0.973 176.778 175.800 0.009 0.000 1.168 279 F CA -0.457 57.543 58.000 -0.001 0.000 1.433 279 F CB -0.719 38.271 39.000 -0.016 0.000 1.115 279 F HN 0.111 nan 8.300 nan 0.000 0.582 280 D N -0.118 120.406 120.400 0.206 0.000 2.458 280 D HA 0.053 4.693 4.640 -0.001 0.000 0.243 280 D C 1.580 177.852 176.300 -0.046 0.000 1.146 280 D CA 0.065 54.107 54.000 0.070 0.000 0.877 280 D CB 1.207 42.029 40.800 0.036 0.000 1.176 280 D HN 0.032 nan 8.370 nan 0.000 0.461 281 V N 2.854 122.717 119.914 -0.084 0.000 2.546 281 V HA -0.304 3.816 4.120 -0.001 0.000 0.254 281 V C 1.917 177.835 176.094 -0.294 0.000 1.076 281 V CA 1.962 64.189 62.300 -0.123 0.000 1.087 281 V CB -0.922 30.853 31.823 -0.079 0.000 0.674 281 V HN 0.749 nan 8.190 nan 0.000 0.470 282 K N 0.181 120.251 120.400 -0.551 0.000 2.362 282 K HA -0.154 4.165 4.320 -0.001 0.000 0.200 282 K C 1.327 177.582 176.600 -0.575 0.000 1.046 282 K CA 1.921 57.671 56.287 -0.894 0.000 0.952 282 K CB -0.563 31.305 32.500 -1.052 0.000 0.753 282 K HN 0.710 nan 8.250 nan 0.000 0.466 283 H N 0.005 118.967 119.070 -0.181 0.000 2.542 283 H HA 0.168 4.723 4.556 -0.001 0.000 0.283 283 H C 1.449 176.714 175.328 -0.105 0.000 1.059 283 H CA -0.495 55.466 56.048 -0.145 0.000 1.162 283 H CB 0.776 30.447 29.762 -0.152 0.000 1.539 283 H HN -0.100 nan 8.280 nan 0.000 0.543 284 V N 1.046 120.960 119.914 0.001 0.000 2.278 284 V HA -0.369 3.750 4.120 -0.001 0.000 0.251 284 V C 2.586 178.711 176.094 0.052 0.000 1.062 284 V CA 2.173 64.488 62.300 0.025 0.000 1.038 284 V CB -0.750 31.071 31.823 -0.004 0.000 0.646 284 V HN 0.659 nan 8.190 nan 0.000 0.447 285 A N -0.290 122.556 122.820 0.043 0.000 1.858 285 A HA -0.213 4.106 4.320 -0.001 0.000 0.216 285 A C 2.174 179.860 177.584 0.170 0.000 1.190 285 A CA 2.163 54.275 52.037 0.124 0.000 0.617 285 A CB -0.688 18.351 19.000 0.065 0.000 0.827 285 A HN 0.470 nan 8.150 nan 0.000 0.443 286 L N 1.009 122.216 121.223 -0.027 0.000 2.043 286 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 286 L C 2.098 178.852 176.870 -0.194 0.000 1.075 286 L CA 2.640 57.355 54.840 -0.207 0.000 0.752 286 L CB -0.808 41.038 42.059 -0.355 0.000 0.891 286 L HN 0.606 nan 8.230 nan 0.000 0.432 287 N N -1.549 117.082 118.700 -0.115 0.000 2.188 287 N HA -0.289 4.450 4.740 -0.001 0.000 0.184 287 N C 2.053 177.556 175.510 -0.013 0.000 1.018 287 N CA 1.368 54.353 53.050 -0.108 0.000 0.858 287 N CB -0.119 38.334 38.487 -0.057 0.000 0.989 287 N HN 0.633 nan 8.380 nan 0.000 0.426 288 H N -0.032 119.019 119.070 -0.031 0.000 2.321 288 H HA -0.065 4.490 4.556 -0.001 0.000 0.300 288 H C 1.656 176.944 175.328 -0.067 0.000 1.087 288 H CA 2.216 58.237 56.048 -0.045 0.000 1.319 288 H CB -0.409 29.316 29.762 -0.061 0.000 1.379 288 H HN 0.341 nan 8.280 nan 0.000 0.501 289 H N -0.577 118.405 119.070 -0.147 0.000 2.387 289 H HA -0.065 4.491 4.556 -0.001 0.000 0.299 289 H C 2.376 177.629 175.328 -0.125 0.000 1.099 289 H CA 1.735 57.681 56.048 -0.170 0.000 1.315 289 H CB -0.135 29.522 29.762 -0.174 0.000 1.380 289 H HN 0.375 nan 8.280 nan 0.000 0.513 290 I N 0.205 120.764 120.570 -0.018 0.000 2.315 290 I HA -0.242 3.927 4.170 -0.001 0.000 0.248 290 I C 1.778 177.890 176.117 -0.010 0.000 1.117 290 I CA 0.827 62.135 61.300 0.012 0.000 1.404 290 I CB -0.153 37.814 38.000 -0.055 0.000 1.071 290 I HN 0.331 nan 8.210 nan 0.000 0.419 291 N N 0.490 119.142 118.700 -0.080 0.000 2.188 291 N HA -0.158 4.581 4.740 -0.001 0.000 0.184 291 N C 1.867 177.304 175.510 -0.123 0.000 1.018 291 N CA 1.056 54.054 53.050 -0.087 0.000 0.858 291 N CB -0.178 38.258 38.487 -0.085 0.000 0.989 291 N HN 0.382 nan 8.380 nan 0.000 0.426 292 Q N 0.622 120.295 119.800 -0.210 0.000 2.123 292 Q HA 0.105 4.444 4.340 -0.001 0.000 0.199 292 Q C 1.970 177.931 176.000 -0.065 0.000 0.966 292 Q CA 0.813 56.505 55.803 -0.185 0.000 0.845 292 Q CB -0.355 28.212 28.738 -0.285 0.000 0.907 292 Q HN 0.344 nan 8.270 nan 0.000 0.439 293 A N 0.505 123.329 122.820 0.006 0.000 1.968 293 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 293 A C 2.101 179.747 177.584 0.104 0.000 1.169 293 A CA 0.843 52.943 52.037 0.105 0.000 0.638 293 A CB -0.439 18.651 19.000 0.151 0.000 0.812 293 A HN 0.287 nan 8.150 nan 0.000 0.446 294 L N 0.046 121.268 121.223 -0.002 0.000 2.027 294 L HA -0.090 4.249 4.340 -0.001 0.000 0.206 294 L C 2.331 179.155 176.870 -0.078 0.000 1.074 294 L CA 2.479 57.260 54.840 -0.099 0.000 0.745 294 L CB -0.537 41.441 42.059 -0.136 0.000 0.898 294 L HN 0.464 nan 8.230 nan 0.000 0.433 295 K N -0.770 119.598 120.400 -0.054 0.000 2.063 295 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 295 K C 1.960 178.530 176.600 -0.049 0.000 1.048 295 K CA 1.400 57.662 56.287 -0.040 0.000 0.928 295 K CB -0.240 32.222 32.500 -0.063 0.000 0.713 295 K HN 0.395 nan 8.250 nan 0.000 0.442 296 A N 0.206 122.990 122.820 -0.060 0.000 1.972 296 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 296 A C 1.463 178.975 177.584 -0.121 0.000 1.169 296 A CA 1.727 53.692 52.037 -0.120 0.000 0.635 296 A CB -0.641 18.279 19.000 -0.133 0.000 0.810 296 A HN 0.471 nan 8.150 nan 0.000 0.446 297 H N -2.364 116.654 119.070 -0.087 0.000 2.547 297 H HA 0.210 4.765 4.556 -0.001 0.000 0.272 297 H C 1.635 176.905 175.328 -0.096 0.000 0.971 297 H CA 1.281 57.284 56.048 -0.075 0.000 1.245 297 H CB 0.566 30.277 29.762 -0.085 0.000 1.440 297 H HN 0.278 nan 8.280 nan 0.000 0.540 298 V N -1.056 118.847 119.914 -0.019 0.000 3.455 298 V HA 0.258 4.377 4.120 -0.001 0.000 0.250 298 V C 1.810 177.839 176.094 -0.108 0.000 1.230 298 V CA 1.024 63.256 62.300 -0.114 0.000 1.105 298 V CB 0.543 32.252 31.823 -0.191 0.000 0.850 298 V HN 0.407 nan 8.190 nan 0.000 0.461 299 A N -0.998 121.851 122.820 0.048 0.000 2.343 299 A HA 0.463 4.782 4.320 -0.001 0.000 0.223 299 A C 0.767 178.384 177.584 0.055 0.000 1.214 299 A CA 0.269 52.400 52.037 0.157 0.000 0.900 299 A CB 0.157 19.305 19.000 0.246 0.000 0.942 299 A HN 0.317 nan 8.150 nan 0.000 0.507 300 M N 1.063 120.669 119.600 0.010 0.000 2.181 300 M HA 0.407 4.886 4.480 -0.001 0.000 0.323 300 M C -1.148 175.205 176.300 0.089 0.000 1.004 300 M CA -0.233 55.095 55.300 0.047 0.000 0.941 300 M CB 0.975 33.566 32.600 -0.015 0.000 1.579 300 M HN 0.219 nan 8.290 nan 0.000 0.427 301 Q N 1.614 121.426 119.800 0.019 0.000 2.316 301 Q HA 0.448 4.788 4.340 -0.001 0.000 0.264 301 Q C -0.436 175.303 176.000 -0.435 0.000 0.987 301 Q CA -0.715 55.016 55.803 -0.119 0.000 0.852 301 Q CB 2.966 31.645 28.738 -0.097 0.000 1.287 301 Q HN 0.484 nan 8.270 nan 0.000 0.448 302 K N 2.276 122.325 120.400 -0.586 0.000 2.382 302 K HA -0.061 4.258 4.320 -0.001 0.000 0.275 302 K C -0.541 175.774 176.600 -0.475 0.000 1.009 302 K CA 0.252 55.986 56.287 -0.921 0.000 0.970 302 K CB 0.447 32.665 32.500 -0.470 0.000 0.934 302 K HN 0.618 nan 8.250 nan 0.000 0.479 303 D N 1.039 121.184 120.400 -0.425 0.000 3.028 303 D HA -0.180 4.459 4.640 -0.001 0.000 0.207 303 D C 0.343 176.549 176.300 -0.156 0.000 1.100 303 D CA 1.157 55.031 54.000 -0.211 0.000 0.995 303 D CB -1.313 39.402 40.800 -0.142 0.000 1.108 303 D HN 0.383 nan 8.370 nan 0.000 0.421 304 V N -2.261 117.540 119.914 -0.189 0.000 3.177 304 V HA 0.113 4.232 4.120 -0.001 0.000 0.220 304 V C 1.045 177.098 176.094 -0.068 0.000 1.395 304 V CA 1.003 63.245 62.300 -0.098 0.000 1.317 304 V CB 0.753 32.532 31.823 -0.074 0.000 1.148 304 V HN -0.097 nan 8.190 nan 0.000 0.499 305 D N -0.332 120.017 120.400 -0.086 0.000 2.259 305 D HA 0.189 4.828 4.640 -0.001 0.000 0.216 305 D C 0.268 176.680 176.300 0.187 0.000 0.961 305 D CA 1.571 55.616 54.000 0.076 0.000 0.878 305 D CB 0.693 41.599 40.800 0.177 0.000 1.009 305 D HN 0.696 nan 8.370 nan 0.000 0.490 306 Y N -1.046 119.288 120.300 0.057 0.000 2.689 306 Y HA 0.523 5.072 4.550 -0.001 0.000 0.333 306 Y C -0.905 175.005 175.900 0.018 0.000 1.190 306 Y CA -1.504 56.631 58.100 0.059 0.000 1.063 306 Y CB 1.008 39.535 38.460 0.112 0.000 1.294 306 Y HN -0.228 nan 8.280 nan 0.000 0.466 307 V N -1.228 118.789 119.914 0.173 0.000 3.102 307 V HA 0.879 4.999 4.120 -0.001 0.000 0.312 307 V C -1.380 174.833 176.094 0.198 0.000 1.135 307 V CA -1.274 61.067 62.300 0.068 0.000 1.022 307 V CB 1.486 33.322 31.823 0.022 0.000 1.056 307 V HN 0.800 nan 8.190 nan 0.000 0.436 308 V N 1.997 121.983 119.914 0.121 0.000 2.357 308 V HA 0.607 4.727 4.120 -0.001 0.000 0.284 308 V C -0.292 175.837 176.094 0.059 0.000 1.018 308 V CA -0.143 62.222 62.300 0.108 0.000 0.841 308 V CB 0.818 32.697 31.823 0.094 0.000 0.991 308 V HN 1.034 nan 8.190 nan 0.000 0.437 309 E N 3.333 123.565 120.200 0.054 0.000 2.290 309 E HA 0.345 4.694 4.350 -0.001 0.000 0.274 309 E C -1.222 175.396 176.600 0.030 0.000 0.889 309 E CA -0.790 55.630 56.400 0.035 0.000 0.760 309 E CB 1.884 31.602 29.700 0.030 0.000 1.206 309 E HN 0.730 nan 8.360 nan 0.000 0.419 310 D N 1.879 122.292 120.400 0.022 0.000 2.697 310 D HA -0.186 4.453 4.640 -0.001 0.000 0.238 310 D C 0.733 177.046 176.300 0.020 0.000 1.152 310 D CA 1.522 55.532 54.000 0.018 0.000 0.666 310 D CB -1.298 39.511 40.800 0.015 0.000 1.037 310 D HN 1.046 nan 8.370 nan 0.000 0.423 311 G N 0.028 108.841 108.800 0.022 0.000 2.225 311 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.267 311 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.267 311 G C 0.122 175.037 174.900 0.025 0.000 1.024 311 G CA 0.936 46.049 45.100 0.021 0.000 0.784 311 G HN 0.567 nan 8.290 nan 0.000 0.507 312 Q N -1.651 118.171 119.800 0.037 0.000 2.456 312 Q HA 0.567 4.907 4.340 -0.001 0.000 0.284 312 Q C -0.700 175.342 176.000 0.070 0.000 1.061 312 Q CA -1.045 54.789 55.803 0.052 0.000 0.799 312 Q CB 2.842 31.613 28.738 0.055 0.000 1.445 312 Q HN 0.143 nan 8.270 nan 0.000 0.411 313 V N 1.956 121.917 119.914 0.079 0.000 2.406 313 V HA 0.323 4.442 4.120 -0.001 0.000 0.272 313 V C -0.429 175.763 176.094 0.163 0.000 1.043 313 V CA -0.369 61.954 62.300 0.039 0.000 0.915 313 V CB 1.244 32.873 31.823 -0.324 0.000 0.988 313 V HN 0.457 nan 8.190 nan 0.000 0.466 314 V N 6.519 126.534 119.914 0.168 0.000 2.483 314 V HA 0.452 4.571 4.120 -0.001 0.000 0.297 314 V C -0.011 176.165 176.094 0.137 0.000 1.027 314 V CA -0.644 61.734 62.300 0.131 0.000 0.855 314 V CB 1.892 33.763 31.823 0.080 0.000 0.995 314 V HN 0.684 nan 8.190 nan 0.000 0.424 315 I N 4.560 125.162 120.570 0.052 0.000 2.598 315 I HA 0.086 4.255 4.170 -0.001 0.000 0.284 315 I C 0.026 176.151 176.117 0.014 0.000 1.140 315 I CA 0.300 61.599 61.300 -0.001 0.000 1.420 315 I CB 0.811 38.669 38.000 -0.235 0.000 1.387 315 I HN 0.296 nan 8.210 nan 0.000 0.553 316 V N 5.887 125.830 119.914 0.048 0.000 2.383 316 V HA 0.054 4.173 4.120 -0.001 0.000 0.275 316 V C 0.115 176.195 176.094 -0.024 0.000 1.036 316 V CA -0.515 61.792 62.300 0.012 0.000 0.889 316 V CB 1.479 33.308 31.823 0.011 0.000 0.985 316 V HN 0.674 nan 8.190 nan 0.000 0.459 317 D N 3.790 124.167 120.400 -0.040 0.000 2.346 317 D HA 0.067 4.706 4.640 -0.001 0.000 0.267 317 D C 1.596 177.830 176.300 -0.110 0.000 1.320 317 D CA 0.698 54.651 54.000 -0.078 0.000 0.951 317 D CB 0.906 41.677 40.800 -0.048 0.000 1.079 317 D HN 0.691 nan 8.370 nan 0.000 0.509 318 S N 3.398 118.965 115.700 -0.221 0.000 2.408 318 S HA -0.347 4.122 4.470 -0.001 0.000 0.241 318 S C 1.643 176.178 174.600 -0.108 0.000 1.080 318 S CA 1.294 59.318 58.200 -0.293 0.000 1.109 318 S CB -0.868 61.939 63.200 -0.654 0.000 0.966 318 S HN 0.636 nan 8.310 nan 0.000 0.449 319 F N 1.876 121.835 119.950 0.015 0.000 2.746 319 F HA 0.180 4.707 4.527 -0.002 0.000 0.297 319 F C 2.671 178.475 175.800 0.007 0.000 1.113 319 F CA 0.295 58.301 58.000 0.010 0.000 1.367 319 F CB 0.074 39.080 39.000 0.010 0.000 1.111 319 F HN 0.464 nan 8.300 nan 0.000 0.590 320 T N -4.347 110.293 114.554 0.144 0.000 2.969 320 T HA 0.379 4.728 4.350 -0.001 0.000 0.250 320 T C 1.835 176.568 174.700 0.055 0.000 1.021 320 T CA 0.660 62.813 62.100 0.088 0.000 1.003 320 T CB 0.647 69.551 68.868 0.060 0.000 1.040 320 T HN 0.303 nan 8.240 nan 0.000 0.492 321 G N 2.040 110.864 108.800 0.041 0.000 2.205 321 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.261 321 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.261 321 G C 0.285 175.193 174.900 0.012 0.000 0.980 321 G CA -0.089 45.025 45.100 0.024 0.000 0.632 321 G HN 0.611 nan 8.290 nan 0.000 0.533 322 R N 0.243 120.750 120.500 0.012 0.000 2.594 322 R HA 0.526 4.865 4.340 -0.001 0.000 0.272 322 R C 1.086 177.385 176.300 -0.002 0.000 1.074 322 R CA -0.349 55.754 56.100 0.006 0.000 1.105 322 R CB 0.240 30.544 30.300 0.007 0.000 1.008 322 R HN 0.390 nan 8.270 nan 0.000 0.472 323 L N 2.727 123.949 121.223 -0.001 0.000 2.421 323 L HA 0.400 4.739 4.340 -0.001 0.000 0.263 323 L C 0.852 177.714 176.870 -0.013 0.000 1.122 323 L CA -0.282 54.557 54.840 -0.003 0.000 0.804 323 L CB 0.543 42.605 42.059 0.005 0.000 1.150 323 L HN 0.394 nan 8.230 nan 0.000 0.457 324 M N 1.660 121.247 119.600 -0.023 0.000 3.003 324 M HA 0.201 4.681 4.480 -0.001 0.000 0.221 324 M C 0.832 177.107 176.300 -0.042 0.000 1.126 324 M CA -0.549 54.728 55.300 -0.038 0.000 0.778 324 M CB 1.016 33.580 32.600 -0.060 0.000 1.380 324 M HN 0.471 nan 8.290 nan 0.000 0.508 325 K N 1.221 121.605 120.400 -0.027 0.000 2.108 325 K HA -0.217 4.103 4.320 -0.001 0.000 0.219 325 K C 1.764 178.338 176.600 -0.043 0.000 1.054 325 K CA 2.448 58.720 56.287 -0.024 0.000 0.945 325 K CB -0.574 31.916 32.500 -0.017 0.000 0.728 325 K HN 0.761 nan 8.250 nan 0.000 0.462 326 G N 1.316 110.084 108.800 -0.054 0.000 2.464 326 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.217 326 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.217 326 G C 0.549 175.383 174.900 -0.110 0.000 1.138 326 G CA -0.144 44.913 45.100 -0.072 0.000 0.793 326 G HN 0.142 nan 8.290 nan 0.000 0.539 327 R N 0.504 120.934 120.500 -0.117 0.000 2.698 327 R HA 0.368 4.708 4.340 -0.001 0.000 0.266 327 R C -0.100 176.052 176.300 -0.246 0.000 1.026 327 R CA 0.367 56.370 56.100 -0.161 0.000 1.102 327 R CB 0.320 30.525 30.300 -0.158 0.000 0.978 327 R HN 0.237 nan 8.270 nan 0.000 0.436 328 R N 1.120 121.449 120.500 -0.285 0.000 2.698 328 R HA 0.291 4.630 4.340 -0.001 0.000 0.275 328 R C -0.768 175.442 176.300 -0.150 0.000 1.001 328 R CA -0.794 55.058 56.100 -0.414 0.000 0.896 328 R CB 1.582 31.548 30.300 -0.557 0.000 1.218 328 R HN 0.450 nan 8.270 nan 0.000 0.462 329 Y N 0.514 120.937 120.300 0.206 0.000 2.357 329 Y HA 0.099 4.649 4.550 -0.002 0.000 0.340 329 Y C 1.307 177.245 175.900 0.063 0.000 1.260 329 Y CA 0.384 58.553 58.100 0.114 0.000 1.425 329 Y CB 0.877 39.397 38.460 0.099 0.000 1.326 329 Y HN 0.571 nan 8.280 nan 0.000 0.580 330 S N -0.317 115.509 115.700 0.210 0.000 2.767 330 S HA 0.414 4.884 4.470 -0.001 0.000 0.300 330 S C -0.482 174.194 174.600 0.127 0.000 1.123 330 S CA -0.800 57.474 58.200 0.124 0.000 0.992 330 S CB 1.536 64.780 63.200 0.074 0.000 1.138 330 S HN 0.705 nan 8.310 nan 0.000 0.550 331 E N -0.456 119.810 120.200 0.110 0.000 2.513 331 E HA -0.212 4.137 4.350 -0.001 0.000 0.257 331 E C 0.945 177.676 176.600 0.218 0.000 1.098 331 E CA 1.014 57.505 56.400 0.152 0.000 0.752 331 E CB -2.261 27.537 29.700 0.162 0.000 1.324 331 E HN 1.768 nan 8.360 nan 0.000 0.403 332 G N -0.363 108.539 108.800 0.171 0.000 2.212 332 G HA2 -0.429 3.531 3.960 -0.001 0.000 0.266 332 G HA3 -0.429 3.531 3.960 -0.001 0.000 0.266 332 G C 0.837 175.793 174.900 0.092 0.000 0.978 332 G CA 0.771 45.984 45.100 0.187 0.000 0.632 332 G HN 0.408 nan 8.290 nan 0.000 0.537 333 L N 0.406 121.663 121.223 0.056 0.000 2.083 333 L HA 0.153 4.492 4.340 -0.001 0.000 0.209 333 L C 2.206 179.040 176.870 -0.061 0.000 1.083 333 L CA 3.063 57.880 54.840 -0.039 0.000 0.752 333 L CB -0.655 41.359 42.059 -0.074 0.000 0.899 333 L HN 0.479 nan 8.230 nan 0.000 0.433 334 H N -1.176 117.892 119.070 -0.003 0.000 2.357 334 H HA -0.140 4.415 4.556 -0.001 0.000 0.301 334 H C 2.196 177.444 175.328 -0.134 0.000 1.082 334 H CA 1.926 57.974 56.048 0.000 0.000 1.342 334 H CB 0.217 30.007 29.762 0.046 0.000 1.389 334 H HN 0.376 nan 8.280 nan 0.000 0.511 335 Q N -0.089 119.657 119.800 -0.089 0.000 2.124 335 Q HA -0.035 4.305 4.340 -0.001 0.000 0.202 335 Q C 2.429 178.228 176.000 -0.334 0.000 0.977 335 Q CA 1.364 56.944 55.803 -0.372 0.000 0.850 335 Q CB -0.289 27.877 28.738 -0.953 0.000 0.901 335 Q HN 0.573 nan 8.270 nan 0.000 0.429 336 A N 0.350 123.070 122.820 -0.167 0.000 1.902 336 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 336 A C 2.053 179.557 177.584 -0.133 0.000 1.181 336 A CA 1.270 53.284 52.037 -0.038 0.000 0.623 336 A CB -0.654 18.345 19.000 -0.001 0.000 0.818 336 A HN 0.366 nan 8.150 nan 0.000 0.443 337 I N -0.516 119.891 120.570 -0.271 0.000 2.315 337 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 337 I C 2.421 178.343 176.117 -0.324 0.000 1.117 337 I CA 1.398 62.458 61.300 -0.400 0.000 1.404 337 I CB -0.508 37.077 38.000 -0.691 0.000 1.071 337 I HN 0.434 nan 8.210 nan 0.000 0.419 338 E N 1.202 121.234 120.200 -0.280 0.000 2.077 338 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 338 E C 2.375 178.912 176.600 -0.105 0.000 0.989 338 E CA 1.367 57.660 56.400 -0.177 0.000 0.800 338 E CB -0.195 29.425 29.700 -0.134 0.000 0.746 338 E HN 0.518 nan 8.360 nan 0.000 0.452 339 A N 1.964 124.733 122.820 -0.084 0.000 1.902 339 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 339 A C 2.094 179.689 177.584 0.018 0.000 1.181 339 A CA 1.758 53.797 52.037 0.004 0.000 0.623 339 A CB -0.447 18.603 19.000 0.082 0.000 0.818 339 A HN 0.120 nan 8.150 nan 0.000 0.443 340 K N -0.233 120.153 120.400 -0.024 0.000 2.009 340 K HA -0.186 4.133 4.320 -0.001 0.000 0.210 340 K C 1.029 177.596 176.600 -0.055 0.000 1.049 340 K CA 1.677 57.923 56.287 -0.068 0.000 0.929 340 K CB -0.211 32.077 32.500 -0.354 0.000 0.714 340 K HN 0.306 nan 8.250 nan 0.000 0.440 341 E N 0.065 120.222 120.200 -0.073 0.000 2.461 341 E HA -0.011 4.338 4.350 -0.001 0.000 0.196 341 E C 0.666 177.264 176.600 -0.004 0.000 1.129 341 E CA 0.769 57.156 56.400 -0.022 0.000 0.902 341 E CB -0.212 29.483 29.700 -0.007 0.000 0.963 341 E HN 0.658 nan 8.360 nan 0.000 0.503 342 G N 1.408 110.209 108.800 0.002 0.000 2.296 342 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.282 342 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.282 342 G C 0.351 175.256 174.900 0.008 0.000 1.014 342 G CA 0.586 45.695 45.100 0.015 0.000 0.812 342 G HN 0.257 nan 8.290 nan 0.000 0.508 343 L N -1.012 120.207 121.223 -0.006 0.000 2.448 343 L HA 0.476 4.815 4.340 -0.001 0.000 0.258 343 L C 1.098 177.965 176.870 -0.005 0.000 1.104 343 L CA -0.955 53.882 54.840 -0.005 0.000 0.800 343 L CB 0.654 42.704 42.059 -0.015 0.000 1.241 343 L HN 0.224 nan 8.230 nan 0.000 0.472 344 E N 1.475 121.675 120.200 -0.000 0.000 2.265 344 E HA 0.139 4.488 4.350 -0.001 0.000 0.272 344 E C -0.753 175.838 176.600 -0.014 0.000 1.067 344 E CA -0.310 56.091 56.400 0.002 0.000 0.900 344 E CB 0.531 30.236 29.700 0.007 0.000 1.017 344 E HN 0.303 nan 8.360 nan 0.000 0.431 345 I N 4.958 125.515 120.570 -0.022 0.000 2.452 345 I HA -0.038 4.131 4.170 -0.001 0.000 0.287 345 I C 0.455 176.542 176.117 -0.050 0.000 1.079 345 I CA 0.316 61.572 61.300 -0.073 0.000 1.387 345 I CB 0.631 38.573 38.000 -0.097 0.000 1.404 345 I HN 0.404 nan 8.210 nan 0.000 0.522 346 Q N 6.141 125.906 119.800 -0.059 0.000 2.563 346 Q HA 0.184 4.523 4.340 -0.001 0.000 0.232 346 Q C -0.498 175.481 176.000 -0.035 0.000 1.106 346 Q CA -0.740 55.046 55.803 -0.028 0.000 0.913 346 Q CB 0.475 29.203 28.738 -0.017 0.000 1.175 346 Q HN 0.638 nan 8.270 nan 0.000 0.540 347 N N 0.730 119.432 118.700 0.003 0.000 2.444 347 N HA -0.026 4.713 4.740 -0.001 0.000 0.255 347 N C -0.010 175.541 175.510 0.069 0.000 1.255 347 N CA -0.406 52.685 53.050 0.070 0.000 0.933 347 N CB 0.742 39.361 38.487 0.220 0.000 1.143 347 N HN 0.306 nan 8.380 nan 0.000 0.453 348 E N -0.075 120.179 120.200 0.091 0.000 2.397 348 E HA 0.161 4.510 4.350 -0.001 0.000 0.254 348 E C -0.466 176.172 176.600 0.063 0.000 1.231 348 E CA -0.676 55.762 56.400 0.063 0.000 0.954 348 E CB 0.152 29.893 29.700 0.068 0.000 1.024 348 E HN 0.729 nan 8.360 nan 0.000 0.481 349 S N 0.563 116.289 115.700 0.044 0.000 2.616 349 S HA 0.418 4.887 4.470 -0.001 0.000 0.277 349 S C 0.455 175.079 174.600 0.040 0.000 1.234 349 S CA -0.961 57.263 58.200 0.040 0.000 1.028 349 S CB 0.782 63.999 63.200 0.029 0.000 0.988 349 S HN 0.446 nan 8.310 nan 0.000 0.522 350 M N 2.192 121.815 119.600 0.038 0.000 2.277 350 M HA 0.269 4.748 4.480 -0.001 0.000 0.350 350 M C 0.048 176.363 176.300 0.026 0.000 1.180 350 M CA -0.110 55.208 55.300 0.029 0.000 1.103 350 M CB 1.037 33.654 32.600 0.029 0.000 1.577 350 M HN 0.697 nan 8.290 nan 0.000 0.459 351 T N 3.918 118.479 114.554 0.011 0.000 2.794 351 T HA 0.341 4.690 4.350 -0.001 0.000 0.296 351 T C 1.512 176.225 174.700 0.021 0.000 0.949 351 T CA -0.227 61.885 62.100 0.020 0.000 1.101 351 T CB 0.555 69.422 68.868 -0.002 0.000 0.905 351 T HN 0.511 nan 8.240 nan 0.000 0.516 352 L N 1.796 123.061 121.223 0.070 0.000 2.408 352 L HA 0.468 4.808 4.340 -0.001 0.000 0.215 352 L C 1.096 178.087 176.870 0.201 0.000 1.081 352 L CA 0.025 54.931 54.840 0.110 0.000 0.840 352 L CB -0.018 42.109 42.059 0.113 0.000 1.002 352 L HN 0.621 nan 8.230 nan 0.000 0.468 353 A N -0.925 122.023 122.820 0.213 0.000 2.574 353 A HA 0.690 5.009 4.320 -0.001 0.000 0.297 353 A C -0.830 176.917 177.584 0.272 0.000 1.062 353 A CA -0.274 51.971 52.037 0.346 0.000 0.686 353 A CB 2.061 21.285 19.000 0.373 0.000 1.285 353 A HN -0.120 nan 8.150 nan 0.000 0.403 354 T N 0.544 115.284 114.554 0.310 0.000 2.885 354 T HA 0.710 5.059 4.350 -0.001 0.000 0.322 354 T C -1.575 173.272 174.700 0.245 0.000 1.387 354 T CA 0.000 62.232 62.100 0.220 0.000 1.041 354 T CB 0.881 69.821 68.868 0.120 0.000 1.287 354 T HN 1.644 nan 8.240 nan 0.000 0.491 355 I N 1.933 122.611 120.570 0.179 0.000 2.890 355 I HA 0.560 4.729 4.170 -0.001 0.000 0.301 355 I C -1.046 175.136 176.117 0.109 0.000 1.579 355 I CA -0.590 60.817 61.300 0.179 0.000 0.959 355 I CB 2.207 40.364 38.000 0.262 0.000 1.368 355 I HN 0.860 nan 8.210 nan 0.000 0.536 356 T N 0.699 115.330 114.554 0.129 0.000 2.950 356 T HA 0.476 4.825 4.350 -0.001 0.000 0.288 356 T C 1.081 175.944 174.700 0.272 0.000 1.035 356 T CA -0.511 61.656 62.100 0.111 0.000 1.028 356 T CB 1.224 70.150 68.868 0.097 0.000 1.109 356 T HN 0.506 nan 8.240 nan 0.000 0.514 357 F N 0.283 120.298 119.950 0.109 0.000 2.063 357 F HA -0.255 4.271 4.527 -0.002 0.000 0.298 357 F C 3.057 179.049 175.800 0.321 0.000 1.109 357 F CA 1.612 59.731 58.000 0.198 0.000 1.212 357 F CB -0.162 38.995 39.000 0.263 0.000 0.973 357 F HN 0.730 nan 8.300 nan 0.000 0.480 358 Q N 0.782 120.901 119.800 0.531 0.000 2.045 358 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 358 Q C 1.702 177.944 176.000 0.403 0.000 0.991 358 Q CA 2.040 58.151 55.803 0.514 0.000 0.851 358 Q CB -0.157 28.803 28.738 0.371 0.000 0.911 358 Q HN 0.310 nan 8.270 nan 0.000 0.418 359 N N -0.657 118.201 118.700 0.263 0.000 2.457 359 N HA -0.106 4.633 4.740 -0.001 0.000 0.180 359 N C 1.301 176.876 175.510 0.109 0.000 1.050 359 N CA 0.683 53.836 53.050 0.170 0.000 0.906 359 N CB -0.203 38.366 38.487 0.137 0.000 0.968 359 N HN 0.394 nan 8.380 nan 0.000 0.445 360 Y N 0.601 120.893 120.300 -0.012 0.000 2.184 360 Y HA -0.002 4.548 4.550 -0.001 0.000 0.290 360 Y C 1.797 177.615 175.900 -0.135 0.000 1.129 360 Y CA 1.242 59.198 58.100 -0.240 0.000 1.144 360 Y CB -0.746 37.494 38.460 -0.366 0.000 0.995 360 Y HN -0.116 nan 8.280 nan 0.000 0.513 361 F N 0.450 120.350 119.950 -0.083 0.000 2.365 361 F HA -0.085 4.441 4.527 -0.002 0.000 0.300 361 F C 2.181 178.009 175.800 0.046 0.000 1.090 361 F CA 0.958 58.891 58.000 -0.112 0.000 1.408 361 F CB -0.157 38.791 39.000 -0.088 0.000 1.060 361 F HN -0.077 nan 8.300 nan 0.000 0.534 362 R N -0.356 120.288 120.500 0.240 0.000 2.323 362 R HA -0.021 4.318 4.340 -0.001 0.000 0.198 362 R C 1.397 177.738 176.300 0.069 0.000 0.988 362 R CA 0.362 56.575 56.100 0.189 0.000 1.041 362 R CB -0.057 30.332 30.300 0.149 0.000 0.926 362 R HN 0.274 nan 8.270 nan 0.000 0.476 363 M N -0.724 118.851 119.600 -0.042 0.000 2.509 363 M HA 0.067 4.547 4.480 -0.001 0.000 0.250 363 M C -0.022 176.187 176.300 -0.151 0.000 1.132 363 M CA 0.206 55.415 55.300 -0.151 0.000 1.080 363 M CB -0.255 32.123 32.600 -0.370 0.000 1.408 363 M HN -0.106 nan 8.290 nan 0.000 0.484 364 Y N 1.058 121.278 120.300 -0.134 0.000 2.336 364 Y HA 0.000 4.549 4.550 -0.002 0.000 0.331 364 Y C 1.812 177.699 175.900 -0.021 0.000 1.211 364 Y CA 0.328 58.387 58.100 -0.070 0.000 1.346 364 Y CB 0.467 38.906 38.460 -0.036 0.000 1.271 364 Y HN 0.215 nan 8.280 nan 0.000 0.538 365 E N 1.540 121.808 120.200 0.112 0.000 2.106 365 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 365 E C 0.045 176.688 176.600 0.072 0.000 0.984 365 E CA 0.932 57.378 56.400 0.077 0.000 0.806 365 E CB 0.302 30.060 29.700 0.098 0.000 0.750 365 E HN 0.501 nan 8.360 nan 0.000 0.458 366 K N -0.136 120.330 120.400 0.110 0.000 2.498 366 K HA 0.356 4.675 4.320 -0.001 0.000 0.254 366 K C -1.945 174.793 176.600 0.230 0.000 0.933 366 K CA -0.745 55.586 56.287 0.074 0.000 0.806 366 K CB 1.322 33.721 32.500 -0.168 0.000 1.301 366 K HN -0.094 nan 8.250 nan 0.000 0.432 367 L N 2.030 123.341 121.223 0.147 0.000 2.401 367 L HA 0.807 5.146 4.340 -0.001 0.000 0.266 367 L C -1.159 175.736 176.870 0.043 0.000 0.991 367 L CA -0.385 54.468 54.840 0.021 0.000 0.818 367 L CB 1.880 43.901 42.059 -0.062 0.000 1.321 367 L HN 0.865 nan 8.230 nan 0.000 0.413 368 A N 1.104 123.860 122.820 -0.106 0.000 2.556 368 A HA 0.999 5.318 4.320 -0.001 0.000 0.294 368 A C -0.707 176.705 177.584 -0.287 0.000 1.091 368 A CA -0.002 51.969 52.037 -0.110 0.000 0.704 368 A CB 1.964 20.992 19.000 0.046 0.000 1.300 368 A HN 0.850 nan 8.150 nan 0.000 0.406 369 G N -0.122 108.514 108.800 -0.273 0.000 2.704 369 G HA2 0.627 4.587 3.960 -0.001 0.000 0.293 369 G HA3 0.627 4.587 3.960 -0.001 0.000 0.293 369 G C -1.222 173.520 174.900 -0.263 0.000 1.421 369 G CA -0.656 44.250 45.100 -0.324 0.000 0.870 369 G HN 0.675 nan 8.290 nan 0.000 0.492 370 M N 0.861 120.320 119.600 -0.236 0.000 2.393 370 M HA 0.717 5.196 4.480 -0.001 0.000 0.299 370 M C -0.553 175.654 176.300 -0.155 0.000 1.103 370 M CA -0.722 54.471 55.300 -0.178 0.000 0.910 370 M CB 2.773 35.289 32.600 -0.140 0.000 1.659 370 M HN 0.664 nan 8.290 nan 0.000 0.445 371 T N 0.143 114.619 114.554 -0.130 0.000 2.907 371 T HA 0.421 4.770 4.350 -0.001 0.000 0.344 371 T C 0.207 174.863 174.700 -0.073 0.000 1.675 371 T CA -0.046 61.999 62.100 -0.091 0.000 1.076 371 T CB 1.326 70.144 68.868 -0.082 0.000 1.483 371 T HN 0.860 nan 8.240 nan 0.000 0.487 372 G N 1.217 109.989 108.800 -0.046 0.000 2.985 372 G HA2 0.356 4.316 3.960 -0.001 0.000 0.209 372 G HA3 0.356 4.316 3.960 -0.001 0.000 0.209 372 G C 0.406 175.289 174.900 -0.028 0.000 1.165 372 G CA 0.668 45.746 45.100 -0.036 0.000 0.776 372 G HN 1.214 nan 8.290 nan 0.000 0.541 373 T N -3.843 110.697 114.554 -0.023 0.000 3.078 373 T HA 0.676 5.025 4.350 -0.001 0.000 0.328 373 T C -0.029 174.686 174.700 0.026 0.000 0.987 373 T CA 0.118 62.215 62.100 -0.004 0.000 1.049 373 T CB 1.503 70.372 68.868 0.001 0.000 1.011 373 T HN 0.437 nan 8.240 nan 0.000 0.463 374 A N 2.785 125.623 122.820 0.031 0.000 2.599 374 A HA 0.378 4.697 4.320 -0.001 0.000 0.162 374 A C 1.626 179.289 177.584 0.132 0.000 1.654 374 A CA 0.217 52.326 52.037 0.121 0.000 1.214 374 A CB -0.280 18.697 19.000 -0.038 0.000 1.505 374 A HN 0.594 nan 8.150 nan 0.000 0.481 375 K N 1.041 121.464 120.400 0.038 0.000 2.074 375 K HA -0.112 4.207 4.320 -0.001 0.000 0.209 375 K C 1.703 178.320 176.600 0.029 0.000 1.048 375 K CA 2.671 58.973 56.287 0.025 0.000 0.926 375 K CB -0.797 31.699 32.500 -0.008 0.000 0.713 375 K HN 0.401 nan 8.250 nan 0.000 0.444 376 T N 1.217 115.776 114.554 0.009 0.000 2.849 376 T HA -0.085 4.264 4.350 -0.001 0.000 0.270 376 T C 0.748 175.406 174.700 -0.070 0.000 1.066 376 T CA 1.416 63.495 62.100 -0.035 0.000 1.130 376 T CB -0.151 68.689 68.868 -0.047 0.000 0.864 376 T HN 0.294 nan 8.240 nan 0.000 0.481 377 E N 0.777 120.969 120.200 -0.015 0.000 2.463 377 E HA 0.100 4.450 4.350 -0.001 0.000 0.193 377 E C 1.657 178.254 176.600 -0.005 0.000 1.041 377 E CA -0.049 56.276 56.400 -0.125 0.000 0.879 377 E CB -0.077 29.486 29.700 -0.229 0.000 0.997 377 E HN 0.665 nan 8.360 nan 0.000 0.478 378 E N 2.135 122.417 120.200 0.136 0.000 2.108 378 E HA -0.319 4.030 4.350 -0.001 0.000 0.203 378 E C 1.910 178.586 176.600 0.127 0.000 1.022 378 E CA 1.889 58.408 56.400 0.199 0.000 0.823 378 E CB 0.032 29.787 29.700 0.092 0.000 0.744 378 E HN 0.334 nan 8.360 nan 0.000 0.456 379 E N 0.065 120.269 120.200 0.007 0.000 2.118 379 E HA -0.282 4.067 4.350 -0.001 0.000 0.195 379 E C 2.080 178.704 176.600 0.039 0.000 0.992 379 E CA 1.484 57.889 56.400 0.009 0.000 0.804 379 E CB -0.088 29.586 29.700 -0.043 0.000 0.741 379 E HN 0.409 nan 8.360 nan 0.000 0.458 380 E N -0.601 119.568 120.200 -0.051 0.000 2.072 380 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 380 E C 1.793 178.419 176.600 0.044 0.000 0.985 380 E CA 1.038 57.446 56.400 0.013 0.000 0.801 380 E CB -0.167 29.471 29.700 -0.103 0.000 0.750 380 E HN 0.321 nan 8.360 nan 0.000 0.452 381 F N 0.684 120.717 119.950 0.138 0.000 2.171 381 F HA -0.123 4.403 4.527 -0.002 0.000 0.300 381 F C 2.645 178.546 175.800 0.169 0.000 1.090 381 F CA 0.985 59.114 58.000 0.214 0.000 1.293 381 F CB -0.012 39.053 39.000 0.108 0.000 1.013 381 F HN -0.061 nan 8.300 nan 0.000 0.486 382 R N 0.158 120.822 120.500 0.274 0.000 2.061 382 R HA -0.193 4.147 4.340 -0.001 0.000 0.230 382 R C 2.077 178.444 176.300 0.111 0.000 1.140 382 R CA 1.689 57.888 56.100 0.165 0.000 0.940 382 R CB -1.128 29.239 30.300 0.112 0.000 0.839 382 R HN 0.397 nan 8.270 nan 0.000 0.429 383 N N 0.819 119.569 118.700 0.083 0.000 2.069 383 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 383 N C 1.862 177.358 175.510 -0.024 0.000 1.031 383 N CA 1.282 54.355 53.050 0.037 0.000 0.852 383 N CB 0.030 38.547 38.487 0.050 0.000 1.018 383 N HN 0.150 nan 8.380 nan 0.000 0.423 384 I N -0.819 119.702 120.570 -0.082 0.000 2.296 384 I HA -0.176 3.993 4.170 -0.001 0.000 0.242 384 I C 0.981 176.839 176.117 -0.433 0.000 1.087 384 I CA 0.945 62.041 61.300 -0.341 0.000 1.393 384 I CB -0.143 37.496 38.000 -0.601 0.000 1.093 384 I HN 0.161 nan 8.210 nan 0.000 0.421 385 Y N -0.298 120.072 120.300 0.117 0.000 2.467 385 Y HA 0.245 4.794 4.550 -0.001 0.000 0.250 385 Y C 0.776 176.725 175.900 0.081 0.000 1.155 385 Y CA -0.264 57.901 58.100 0.108 0.000 1.249 385 Y CB -0.316 38.229 38.460 0.142 0.000 1.146 385 Y HN 0.196 nan 8.280 nan 0.000 0.524 386 N N 1.045 119.850 118.700 0.174 0.000 2.735 386 N HA -0.212 4.527 4.740 -0.001 0.000 0.248 386 N C -0.902 174.678 175.510 0.117 0.000 1.083 386 N CA 0.065 53.185 53.050 0.117 0.000 0.703 386 N CB -0.810 37.724 38.487 0.077 0.000 1.005 386 N HN 0.314 nan 8.380 nan 0.000 0.550 387 M N 1.228 120.924 119.600 0.160 0.000 2.383 387 M HA 0.309 4.788 4.480 -0.001 0.000 0.325 387 M C -0.185 176.160 176.300 0.076 0.000 1.092 387 M CA -0.518 54.831 55.300 0.082 0.000 0.961 387 M CB 2.144 34.761 32.600 0.028 0.000 1.672 387 M HN 0.052 nan 8.290 nan 0.000 0.438 388 Q N 1.004 120.816 119.800 0.020 0.000 2.180 388 Q HA 0.684 5.023 4.340 -0.001 0.000 0.241 388 Q C -1.054 174.915 176.000 -0.053 0.000 0.970 388 Q CA -0.987 54.828 55.803 0.020 0.000 0.919 388 Q CB 2.324 31.078 28.738 0.027 0.000 1.222 388 Q HN 0.460 nan 8.270 nan 0.000 0.482 389 V N 1.596 121.482 119.914 -0.046 0.000 2.384 389 V HA 0.286 4.405 4.120 -0.001 0.000 0.287 389 V C -0.626 175.411 176.094 -0.095 0.000 1.020 389 V CA -0.646 61.590 62.300 -0.107 0.000 0.850 389 V CB 1.633 33.413 31.823 -0.071 0.000 0.987 389 V HN 0.466 nan 8.190 nan 0.000 0.436 390 V N 4.080 123.904 119.914 -0.151 0.000 2.357 390 V HA 0.298 4.417 4.120 -0.001 0.000 0.284 390 V C 0.466 176.444 176.094 -0.193 0.000 1.018 390 V CA -0.405 61.775 62.300 -0.201 0.000 0.841 390 V CB 1.761 33.357 31.823 -0.378 0.000 0.991 390 V HN 0.921 nan 8.190 nan 0.000 0.437 391 T N 6.971 121.442 114.554 -0.139 0.000 2.779 391 T HA 0.365 4.714 4.350 -0.001 0.000 0.296 391 T C 0.021 174.647 174.700 -0.124 0.000 0.938 391 T CA 0.044 62.080 62.100 -0.107 0.000 1.119 391 T CB 0.017 68.846 68.868 -0.064 0.000 0.891 391 T HN 0.271 nan 8.240 nan 0.000 0.526 392 I N 5.786 126.288 120.570 -0.114 0.000 2.336 392 I HA 0.332 4.501 4.170 -0.001 0.000 0.292 392 I C -2.048 174.035 176.117 -0.057 0.000 0.991 392 I CA -3.384 57.856 61.300 -0.099 0.000 1.227 392 I CB 0.742 38.683 38.000 -0.097 0.000 1.366 392 I HN 0.330 nan 8.210 nan 0.000 0.466 393 P HA 0.092 nan 4.420 nan 0.000 0.268 393 P C -0.034 177.247 177.300 -0.031 0.000 1.205 393 P CA -0.048 63.035 63.100 -0.028 0.000 0.771 393 P CB 0.281 31.972 31.700 -0.016 0.000 0.858 394 T N -1.020 113.513 114.554 -0.035 0.000 2.900 394 T HA 0.016 4.365 4.350 -0.001 0.000 0.307 394 T C 1.261 175.919 174.700 -0.069 0.000 1.065 394 T CA -0.470 61.604 62.100 -0.043 0.000 1.105 394 T CB 0.386 69.230 68.868 -0.040 0.000 0.979 394 T HN 0.438 nan 8.240 nan 0.000 0.544 395 N N 1.342 119.978 118.700 -0.106 0.000 2.120 395 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 395 N C 0.316 175.709 175.510 -0.195 0.000 1.024 395 N CA 0.735 53.659 53.050 -0.210 0.000 0.852 395 N CB 0.172 38.401 38.487 -0.429 0.000 1.003 395 N HN 0.543 nan 8.380 nan 0.000 0.424 396 R N 0.300 120.710 120.500 -0.149 0.000 2.750 396 R HA 0.430 4.770 4.340 -0.001 0.000 0.281 396 R C -2.612 173.648 176.300 -0.067 0.000 0.972 396 R CA -1.766 54.268 56.100 -0.110 0.000 0.912 396 R CB 1.826 32.056 30.300 -0.116 0.000 1.187 396 R HN 0.046 nan 8.270 nan 0.000 0.464 397 P HA -0.068 nan 4.420 nan 0.000 0.265 397 P C -0.698 176.586 177.300 -0.026 0.000 1.187 397 P CA -0.033 63.048 63.100 -0.033 0.000 0.766 397 P CB 0.459 32.144 31.700 -0.026 0.000 0.820 398 V N 4.280 124.183 119.914 -0.019 0.000 2.432 398 V HA 0.044 4.163 4.120 -0.001 0.000 0.271 398 V C 1.358 177.449 176.094 -0.006 0.000 1.046 398 V CA 0.115 62.408 62.300 -0.011 0.000 0.945 398 V CB 0.966 32.786 31.823 -0.006 0.000 0.992 398 V HN 0.474 nan 8.190 nan 0.000 0.471 399 V N 2.191 122.103 119.914 -0.003 0.000 3.376 399 V HA 0.341 4.460 4.120 -0.001 0.000 0.313 399 V C 0.930 177.028 176.094 0.007 0.000 1.393 399 V CA -0.264 62.037 62.300 0.000 0.000 1.125 399 V CB -0.557 31.265 31.823 -0.001 0.000 1.037 399 V HN 0.748 nan 8.190 nan 0.000 0.440 400 R N 1.859 122.365 120.500 0.010 0.000 2.570 400 R HA 0.078 4.417 4.340 -0.001 0.000 0.277 400 R C -0.356 175.956 176.300 0.020 0.000 1.039 400 R CA 0.185 56.295 56.100 0.018 0.000 1.065 400 R CB 0.402 30.715 30.300 0.023 0.000 0.964 400 R HN 0.449 nan 8.270 nan 0.000 0.428 401 D N 3.193 123.607 120.400 0.023 0.000 2.479 401 D HA 0.061 4.700 4.640 -0.001 0.000 0.218 401 D C -1.080 175.240 176.300 0.034 0.000 1.131 401 D CA -0.346 53.668 54.000 0.024 0.000 0.916 401 D CB 0.439 41.252 40.800 0.021 0.000 1.022 401 D HN 0.341 nan 8.370 nan 0.000 0.515 402 D N 3.964 124.387 120.400 0.038 0.000 2.402 402 D HA 0.092 4.731 4.640 -0.001 0.000 0.235 402 D C 0.614 176.943 176.300 0.048 0.000 1.226 402 D CA -0.303 53.731 54.000 0.057 0.000 0.918 402 D CB 0.541 41.378 40.800 0.061 0.000 1.043 402 D HN 0.192 nan 8.370 nan 0.000 0.506 403 R N 2.489 123.017 120.500 0.047 0.000 2.738 403 R HA 0.261 4.600 4.340 -0.001 0.000 0.268 403 R C -1.994 174.324 176.300 0.029 0.000 1.062 403 R CA -1.317 54.799 56.100 0.026 0.000 1.158 403 R CB -0.330 29.976 30.300 0.009 0.000 1.046 403 R HN 0.277 nan 8.270 nan 0.000 0.493 404 P HA 0.080 nan 4.420 nan 0.000 0.277 404 P C -0.843 176.450 177.300 -0.011 0.000 1.240 404 P CA -0.457 62.641 63.100 -0.003 0.000 0.798 404 P CB 0.530 32.220 31.700 -0.016 0.000 0.979 405 D N 1.312 121.711 120.400 -0.002 0.000 2.506 405 D HA 0.041 4.680 4.640 -0.001 0.000 0.234 405 D C 0.310 176.586 176.300 -0.041 0.000 1.143 405 D CA 0.662 54.663 54.000 0.002 0.000 0.871 405 D CB 0.279 41.087 40.800 0.014 0.000 1.190 405 D HN 0.261 nan 8.370 nan 0.000 0.459 406 L N 2.293 123.473 121.223 -0.072 0.000 2.295 406 L HA 0.446 4.785 4.340 -0.001 0.000 0.285 406 L C 0.060 176.952 176.870 0.036 0.000 1.035 406 L CA -0.644 54.157 54.840 -0.066 0.000 0.806 406 L CB 1.089 43.095 42.059 -0.088 0.000 1.214 406 L HN 0.167 nan 8.230 nan 0.000 0.426 407 I N 3.078 123.613 120.570 -0.058 0.000 2.382 407 I HA 0.317 4.486 4.170 -0.001 0.000 0.286 407 I C -0.897 175.149 176.117 -0.119 0.000 1.002 407 I CA -0.584 60.719 61.300 0.004 0.000 1.135 407 I CB 1.283 39.278 38.000 -0.008 0.000 1.288 407 I HN 0.399 nan 8.210 nan 0.000 0.448 408 Y N 4.276 124.590 120.300 0.024 0.000 2.488 408 Y HA 0.393 4.942 4.550 -0.001 0.000 0.325 408 Y C 1.361 177.263 175.900 0.004 0.000 1.204 408 Y CA -0.638 57.473 58.100 0.019 0.000 1.229 408 Y CB 1.072 39.541 38.460 0.015 0.000 1.274 408 Y HN 0.434 nan 8.280 nan 0.000 0.493 409 R N -0.257 120.326 120.500 0.138 0.000 2.119 409 R HA 0.002 4.341 4.340 -0.001 0.000 0.222 409 R C -0.097 176.242 176.300 0.065 0.000 1.088 409 R CA 1.315 57.462 56.100 0.078 0.000 0.984 409 R CB 0.061 30.395 30.300 0.055 0.000 0.884 409 R HN 0.849 nan 8.270 nan 0.000 0.447 410 T N -3.907 110.690 114.554 0.072 0.000 2.906 410 T HA 0.258 4.607 4.350 -0.001 0.000 0.295 410 T C 1.090 175.760 174.700 -0.050 0.000 1.075 410 T CA -0.968 61.142 62.100 0.018 0.000 1.005 410 T CB 1.644 70.524 68.868 0.021 0.000 1.136 410 T HN -0.196 nan 8.240 nan 0.000 0.498 411 M N 0.541 120.081 119.600 -0.100 0.000 2.108 411 M HA -0.078 4.402 4.480 -0.001 0.000 0.261 411 M C 1.886 178.038 176.300 -0.247 0.000 1.066 411 M CA 1.782 56.920 55.300 -0.271 0.000 1.107 411 M CB -1.315 31.206 32.600 -0.131 0.000 1.356 411 M HN 0.748 nan 8.290 nan 0.000 0.406 412 E N 0.470 120.644 120.200 -0.043 0.000 2.049 412 E HA -0.140 4.209 4.350 -0.001 0.000 0.198 412 E C 2.115 178.692 176.600 -0.038 0.000 1.007 412 E CA 1.769 58.184 56.400 0.025 0.000 0.809 412 E CB -1.026 28.693 29.700 0.033 0.000 0.749 412 E HN 0.610 nan 8.360 nan 0.000 0.450 413 G N 0.807 109.574 108.800 -0.054 0.000 2.440 413 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.218 413 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.218 413 G C 1.487 176.160 174.900 -0.378 0.000 1.154 413 G CA 1.123 46.176 45.100 -0.078 0.000 0.767 413 G HN 0.250 nan 8.290 nan 0.000 0.552 414 K N -0.209 119.922 120.400 -0.449 0.000 2.001 414 K HA -0.093 4.226 4.320 -0.001 0.000 0.214 414 K C 2.269 178.547 176.600 -0.536 0.000 1.050 414 K CA 1.479 57.362 56.287 -0.673 0.000 0.934 414 K CB -0.409 31.779 32.500 -0.520 0.000 0.718 414 K HN 0.396 nan 8.250 nan 0.000 0.443 415 F N 1.171 120.968 119.950 -0.256 0.000 2.171 415 F HA -0.192 4.334 4.527 -0.001 0.000 0.300 415 F C 2.627 178.268 175.800 -0.265 0.000 1.090 415 F CA 1.084 58.941 58.000 -0.237 0.000 1.293 415 F CB -0.120 38.792 39.000 -0.147 0.000 1.013 415 F HN 0.153 nan 8.300 nan 0.000 0.486 416 K N 1.052 121.417 120.400 -0.058 0.000 2.057 416 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 416 K C 2.209 178.705 176.600 -0.173 0.000 1.049 416 K CA 1.276 57.508 56.287 -0.091 0.000 0.931 416 K CB -0.296 32.167 32.500 -0.062 0.000 0.714 416 K HN 0.208 nan 8.250 nan 0.000 0.440 417 A N 0.776 123.409 122.820 -0.311 0.000 1.933 417 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 417 A C 2.234 179.516 177.584 -0.504 0.000 1.175 417 A CA 1.478 53.309 52.037 -0.344 0.000 0.628 417 A CB -0.542 18.138 19.000 -0.533 0.000 0.814 417 A HN 0.185 nan 8.150 nan 0.000 0.444 418 V N -0.170 119.362 119.914 -0.637 0.000 2.261 418 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 418 V C 3.084 178.982 176.094 -0.327 0.000 1.047 418 V CA 2.036 63.949 62.300 -0.646 0.000 1.015 418 V CB -1.205 30.393 31.823 -0.375 0.000 0.642 418 V HN 0.614 nan 8.190 nan 0.000 0.446 419 A N -0.358 122.331 122.820 -0.218 0.000 1.940 419 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 419 A C 2.165 179.679 177.584 -0.117 0.000 1.176 419 A CA 2.137 54.079 52.037 -0.158 0.000 0.631 419 A CB -0.513 18.410 19.000 -0.129 0.000 0.814 419 A HN 0.559 nan 8.150 nan 0.000 0.446 420 E N 0.339 120.473 120.200 -0.110 0.000 2.072 420 E HA -0.177 4.172 4.350 -0.001 0.000 0.191 420 E C 1.696 178.278 176.600 -0.030 0.000 0.985 420 E CA 1.434 57.803 56.400 -0.052 0.000 0.801 420 E CB -0.277 29.403 29.700 -0.033 0.000 0.750 420 E HN 0.531 nan 8.360 nan 0.000 0.452 421 D N -0.630 119.733 120.400 -0.062 0.000 2.084 421 D HA -0.121 4.518 4.640 -0.001 0.000 0.194 421 D C 1.932 178.233 176.300 0.002 0.000 0.990 421 D CA 1.508 55.506 54.000 -0.003 0.000 0.826 421 D CB -0.166 40.630 40.800 -0.007 0.000 0.971 421 D HN 0.136 nan 8.370 nan 0.000 0.453 422 V N 1.310 121.199 119.914 -0.042 0.000 2.332 422 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 422 V C 2.730 178.847 176.094 0.037 0.000 1.055 422 V CA 1.942 64.230 62.300 -0.019 0.000 1.038 422 V CB -1.093 30.678 31.823 -0.086 0.000 0.651 422 V HN 0.312 nan 8.190 nan 0.000 0.450 423 A N -0.699 122.133 122.820 0.020 0.000 1.908 423 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 423 A C 2.213 179.859 177.584 0.103 0.000 1.181 423 A CA 1.686 53.767 52.037 0.073 0.000 0.627 423 A CB -0.437 18.583 19.000 0.032 0.000 0.818 423 A HN 0.548 nan 8.150 nan 0.000 0.445 424 Q N -0.346 119.491 119.800 0.063 0.000 2.046 424 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 424 Q C 2.270 178.302 176.000 0.054 0.000 0.975 424 Q CA 1.212 57.047 55.803 0.053 0.000 0.836 424 Q CB -0.460 28.306 28.738 0.046 0.000 0.896 424 Q HN 0.592 nan 8.270 nan 0.000 0.428 425 R N 0.005 120.545 120.500 0.067 0.000 2.073 425 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 425 R C 2.199 178.544 176.300 0.076 0.000 1.134 425 R CA 1.245 57.383 56.100 0.064 0.000 0.952 425 R CB -1.078 29.264 30.300 0.070 0.000 0.850 425 R HN 0.339 nan 8.270 nan 0.000 0.433 426 Y N 1.209 121.509 120.300 0.000 0.000 2.207 426 Y HA -0.199 4.351 4.550 -0.001 0.000 0.287 426 Y C 2.260 178.163 175.900 0.005 0.000 1.156 426 Y CA 1.463 59.564 58.100 0.003 0.000 1.182 426 Y CB -0.240 38.220 38.460 -0.000 0.000 0.979 426 Y HN -0.120 nan 8.280 nan 0.000 0.521 427 M N -0.197 119.351 119.600 -0.087 0.000 2.279 427 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 427 M C 2.133 178.338 176.300 -0.159 0.000 1.062 427 M CA 2.117 57.328 55.300 -0.150 0.000 1.099 427 M CB -0.709 31.877 32.600 -0.023 0.000 1.394 427 M HN 0.462 nan 8.290 nan 0.000 0.426 428 T N -4.452 110.038 114.554 -0.107 0.000 3.065 428 T HA 0.394 4.744 4.350 -0.001 0.000 0.252 428 T C 1.581 176.221 174.700 -0.099 0.000 1.099 428 T CA 0.639 62.692 62.100 -0.079 0.000 1.063 428 T CB -0.047 68.802 68.868 -0.032 0.000 0.948 428 T HN 0.532 nan 8.240 nan 0.000 0.506 429 G N 1.072 109.781 108.800 -0.151 0.000 2.199 429 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.254 429 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.254 429 G C -0.055 174.823 174.900 -0.036 0.000 0.982 429 G CA 0.211 45.234 45.100 -0.128 0.000 0.632 429 G HN 0.914 nan 8.290 nan 0.000 0.529 430 Q N 2.056 121.849 119.800 -0.012 0.000 2.289 430 Q HA 0.376 4.715 4.340 -0.001 0.000 0.273 430 Q C -1.918 174.109 176.000 0.045 0.000 1.029 430 Q CA -1.333 54.480 55.803 0.016 0.000 0.896 430 Q CB 0.871 29.620 28.738 0.019 0.000 1.182 430 Q HN 0.338 nan 8.270 nan 0.000 0.385 431 P HA -0.003 nan 4.420 nan 0.000 0.268 431 P C -1.055 176.278 177.300 0.054 0.000 1.205 431 P CA 0.011 63.147 63.100 0.060 0.000 0.771 431 P CB 0.940 32.668 31.700 0.046 0.000 0.858 432 V N 3.990 123.940 119.914 0.060 0.000 2.735 432 V HA 0.436 4.556 4.120 -0.001 0.000 0.310 432 V C -0.087 176.023 176.094 0.026 0.000 1.061 432 V CA -0.795 61.529 62.300 0.040 0.000 0.913 432 V CB 1.878 33.724 31.823 0.040 0.000 1.005 432 V HN 0.434 nan 8.190 nan 0.000 0.428 433 L N 5.051 126.282 121.223 0.014 0.000 2.372 433 L HA 0.718 5.057 4.340 -0.001 0.000 0.274 433 L C -0.812 176.050 176.870 -0.012 0.000 0.988 433 L CA -0.109 54.735 54.840 0.006 0.000 0.833 433 L CB 1.844 43.911 42.059 0.014 0.000 1.236 433 L HN 0.459 nan 8.230 nan 0.000 0.410 434 V N 4.938 124.839 119.914 -0.022 0.000 2.364 434 V HA 0.657 4.776 4.120 -0.001 0.000 0.272 434 V C 0.888 176.971 176.094 -0.019 0.000 1.036 434 V CA -0.189 62.088 62.300 -0.038 0.000 0.880 434 V CB 1.005 32.790 31.823 -0.064 0.000 0.991 434 V HN 0.904 nan 8.190 nan 0.000 0.460 435 G N 2.739 111.525 108.800 -0.023 0.000 2.377 435 G HA2 0.565 4.524 3.960 -0.001 0.000 0.299 435 G HA3 0.565 4.524 3.960 -0.001 0.000 0.299 435 G C -0.368 174.565 174.900 0.055 0.000 1.150 435 G CA -0.131 44.987 45.100 0.031 0.000 0.847 435 G HN 0.651 nan 8.290 nan 0.000 0.501 436 T N -0.078 114.529 114.554 0.089 0.000 2.838 436 T HA 0.400 4.749 4.350 -0.001 0.000 0.292 436 T C 0.612 175.383 174.700 0.120 0.000 1.113 436 T CA -0.369 61.780 62.100 0.082 0.000 1.008 436 T CB 1.882 70.770 68.868 0.033 0.000 1.259 436 T HN 0.175 nan 8.240 nan 0.000 0.520 437 V N 0.665 120.631 119.914 0.086 0.000 3.379 437 V HA 0.577 4.696 4.120 -0.001 0.000 0.249 437 V C 0.788 176.931 176.094 0.083 0.000 1.184 437 V CA 0.627 62.989 62.300 0.104 0.000 1.106 437 V CB 0.395 32.249 31.823 0.053 0.000 0.826 437 V HN 0.915 nan 8.190 nan 0.000 0.465 438 A N 0.117 122.971 122.820 0.056 0.000 2.386 438 A HA 0.605 4.924 4.320 -0.001 0.000 0.311 438 A C 0.791 178.384 177.584 0.015 0.000 1.068 438 A CA 0.256 52.316 52.037 0.039 0.000 0.743 438 A CB 1.955 20.976 19.000 0.036 0.000 1.258 438 A HN 0.341 nan 8.150 nan 0.000 0.429 439 V N 0.087 120.008 119.914 0.012 0.000 2.469 439 V HA -0.190 3.929 4.120 -0.001 0.000 0.251 439 V C 1.553 177.632 176.094 -0.026 0.000 1.064 439 V CA 2.660 64.957 62.300 -0.005 0.000 1.066 439 V CB -1.177 30.645 31.823 -0.002 0.000 0.667 439 V HN 0.853 nan 8.190 nan 0.000 0.461 440 E N 1.084 121.271 120.200 -0.022 0.000 2.153 440 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 440 E C 2.250 178.801 176.600 -0.081 0.000 0.988 440 E CA 1.894 58.271 56.400 -0.039 0.000 0.811 440 E CB -0.797 28.892 29.700 -0.018 0.000 0.746 440 E HN 0.701 nan 8.360 nan 0.000 0.466 441 T N -0.064 114.442 114.554 -0.081 0.000 2.812 441 T HA -0.064 4.285 4.350 -0.001 0.000 0.264 441 T C 1.982 176.545 174.700 -0.228 0.000 1.042 441 T CA 1.175 63.170 62.100 -0.175 0.000 1.140 441 T CB -0.201 68.625 68.868 -0.071 0.000 0.870 441 T HN 0.088 nan 8.240 nan 0.000 0.445 442 S N 1.564 117.190 115.700 -0.124 0.000 2.359 442 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 442 S C 2.080 176.607 174.600 -0.122 0.000 1.035 442 S CA 0.945 59.080 58.200 -0.109 0.000 1.018 442 S CB -0.284 62.887 63.200 -0.047 0.000 0.876 442 S HN 0.440 nan 8.310 nan 0.000 0.448 443 E N 1.239 121.378 120.200 -0.101 0.000 2.150 443 E HA -0.028 4.321 4.350 -0.001 0.000 0.193 443 E C 2.057 178.578 176.600 -0.132 0.000 0.985 443 E CA 0.279 56.628 56.400 -0.086 0.000 0.814 443 E CB -0.543 29.119 29.700 -0.062 0.000 0.752 443 E HN 0.315 nan 8.360 nan 0.000 0.466 444 L N 1.151 122.251 121.223 -0.205 0.000 2.017 444 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 444 L C 1.959 178.643 176.870 -0.309 0.000 1.073 444 L CA 1.599 56.274 54.840 -0.275 0.000 0.745 444 L CB -0.717 41.079 42.059 -0.439 0.000 0.894 444 L HN 0.027 nan 8.230 nan 0.000 0.432 445 I N -0.408 119.940 120.570 -0.370 0.000 2.315 445 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 445 I C 2.891 178.855 176.117 -0.254 0.000 1.117 445 I CA 1.345 62.451 61.300 -0.323 0.000 1.404 445 I CB -1.594 36.224 38.000 -0.304 0.000 1.071 445 I HN 0.294 nan 8.210 nan 0.000 0.419 446 S N 0.945 116.530 115.700 -0.193 0.000 2.370 446 S HA -0.195 4.274 4.470 -0.001 0.000 0.226 446 S C 1.985 176.546 174.600 -0.066 0.000 1.033 446 S CA 1.401 59.532 58.200 -0.115 0.000 1.011 446 S CB -0.065 63.196 63.200 0.102 0.000 0.852 446 S HN 0.412 nan 8.310 nan 0.000 0.457 447 K N 0.459 120.815 120.400 -0.073 0.000 2.148 447 K HA 0.051 4.370 4.320 -0.001 0.000 0.204 447 K C 2.037 178.593 176.600 -0.073 0.000 1.050 447 K CA 1.062 57.316 56.287 -0.054 0.000 0.942 447 K CB -0.251 32.213 32.500 -0.060 0.000 0.724 447 K HN 0.392 nan 8.250 nan 0.000 0.446 448 L N 0.754 121.906 121.223 -0.117 0.000 2.109 448 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 448 L C 2.216 179.013 176.870 -0.122 0.000 1.086 448 L CA 0.929 55.702 54.840 -0.111 0.000 0.760 448 L CB -0.318 41.663 42.059 -0.129 0.000 0.910 448 L HN 0.184 nan 8.230 nan 0.000 0.437 449 L N -0.500 120.609 121.223 -0.189 0.000 2.156 449 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 449 L C 2.506 179.322 176.870 -0.090 0.000 1.095 449 L CA 1.156 55.858 54.840 -0.229 0.000 0.770 449 L CB -0.427 41.294 42.059 -0.563 0.000 0.914 449 L HN 0.233 nan 8.230 nan 0.000 0.439 450 K N -0.006 120.391 120.400 -0.006 0.000 2.097 450 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 450 K C 1.765 178.363 176.600 -0.004 0.000 1.050 450 K CA 0.934 57.247 56.287 0.043 0.000 0.938 450 K CB -0.107 32.425 32.500 0.053 0.000 0.718 450 K HN 0.281 nan 8.250 nan 0.000 0.442 451 N N 1.121 119.807 118.700 -0.022 0.000 2.453 451 N HA -0.106 4.633 4.740 -0.001 0.000 0.183 451 N C 0.791 176.290 175.510 -0.020 0.000 1.041 451 N CA 1.032 54.069 53.050 -0.021 0.000 0.900 451 N CB 0.171 38.642 38.487 -0.026 0.000 0.961 451 N HN 0.208 nan 8.380 nan 0.000 0.443 452 K N -0.242 120.140 120.400 -0.029 0.000 2.372 452 K HA 0.160 4.479 4.320 -0.001 0.000 0.200 452 K C 0.606 177.199 176.600 -0.013 0.000 1.022 452 K CA 0.019 56.293 56.287 -0.021 0.000 1.125 452 K CB 0.585 33.065 32.500 -0.034 0.000 0.855 452 K HN 0.058 nan 8.250 nan 0.000 0.524 453 G N 2.139 110.931 108.800 -0.014 0.000 2.225 453 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.267 453 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.267 453 G C 0.003 174.879 174.900 -0.039 0.000 1.024 453 G CA -0.102 44.993 45.100 -0.009 0.000 0.784 453 G HN 0.186 nan 8.290 nan 0.000 0.507 454 I N 2.033 122.549 120.570 -0.090 0.000 2.301 454 I HA 0.268 4.437 4.170 -0.001 0.000 0.292 454 I C -1.538 174.489 176.117 -0.151 0.000 1.046 454 I CA -3.176 57.962 61.300 -0.270 0.000 1.282 454 I CB 0.644 38.442 38.000 -0.337 0.000 1.409 454 I HN -0.021 nan 8.210 nan 0.000 0.484 455 P HA 0.160 nan 4.420 nan 0.000 0.271 455 P C -0.747 176.506 177.300 -0.079 0.000 1.216 455 P CA 0.569 63.586 63.100 -0.138 0.000 0.771 455 P CB 0.675 32.312 31.700 -0.104 0.000 0.864 456 H N 0.283 119.265 119.070 -0.148 0.000 3.003 456 H HA 0.379 4.934 4.556 -0.001 0.000 0.327 456 H C -1.261 174.021 175.328 -0.076 0.000 1.353 456 H CA -0.880 55.099 56.048 -0.116 0.000 1.142 456 H CB 0.883 30.567 29.762 -0.131 0.000 1.864 456 H HN 0.318 nan 8.280 nan 0.000 0.529 457 Q N 1.066 120.872 119.800 0.010 0.000 2.306 457 Q HA 0.551 4.890 4.340 -0.001 0.000 0.265 457 Q C -0.616 175.405 176.000 0.036 0.000 1.022 457 Q CA -1.168 54.615 55.803 -0.033 0.000 0.853 457 Q CB 3.347 32.074 28.738 -0.017 0.000 1.327 457 Q HN 0.402 nan 8.270 nan 0.000 0.449 458 V N 3.299 123.214 119.914 0.001 0.000 2.444 458 V HA 0.417 4.536 4.120 -0.001 0.000 0.294 458 V C -0.425 175.668 176.094 -0.003 0.000 1.022 458 V CA -0.623 61.689 62.300 0.020 0.000 0.850 458 V CB 1.567 33.402 31.823 0.019 0.000 0.992 458 V HN 0.544 nan 8.190 nan 0.000 0.426 459 L N 5.042 126.268 121.223 0.005 0.000 2.280 459 L HA 0.583 4.922 4.340 -0.001 0.000 0.287 459 L C 0.500 177.373 176.870 0.006 0.000 1.023 459 L CA -0.335 54.505 54.840 0.001 0.000 0.819 459 L CB 1.257 43.324 42.059 0.013 0.000 1.212 459 L HN 0.572 nan 8.230 nan 0.000 0.420 460 N N 3.120 121.816 118.700 -0.008 0.000 2.187 460 N HA 0.158 4.897 4.740 -0.001 0.000 0.212 460 N C 0.771 176.280 175.510 -0.001 0.000 1.152 460 N CA 0.439 53.487 53.050 -0.002 0.000 0.872 460 N CB 1.259 39.737 38.487 -0.014 0.000 1.025 460 N HN 0.749 nan 8.380 nan 0.000 0.514 461 A N 0.786 123.603 122.820 -0.005 0.000 2.800 461 A HA -0.258 4.061 4.320 -0.001 0.000 0.292 461 A C 1.161 178.659 177.584 -0.143 0.000 1.474 461 A CA 1.157 53.190 52.037 -0.006 0.000 0.744 461 A CB -2.027 17.034 19.000 0.101 0.000 1.044 461 A HN 0.391 nan 8.150 nan 0.000 0.489 462 K N -0.578 119.709 120.400 -0.189 0.000 2.286 462 K HA 0.093 4.412 4.320 -0.001 0.000 0.203 462 K C 0.799 177.213 176.600 -0.309 0.000 1.078 462 K CA 0.823 56.989 56.287 -0.203 0.000 0.957 462 K CB 0.332 32.767 32.500 -0.109 0.000 1.018 462 K HN 0.679 nan 8.250 nan 0.000 0.484 463 N N 1.153 119.691 118.700 -0.269 0.000 2.564 463 N HA 0.065 4.804 4.740 -0.001 0.000 0.248 463 N C 0.407 175.764 175.510 -0.256 0.000 0.986 463 N CA -0.269 52.638 53.050 -0.239 0.000 0.921 463 N CB 0.582 38.988 38.487 -0.134 0.000 1.136 463 N HN 0.145 nan 8.380 nan 0.000 0.509 464 H N 1.751 120.756 119.070 -0.109 0.000 2.387 464 H HA -0.156 4.400 4.556 -0.001 0.000 0.299 464 H C 1.324 176.336 175.328 -0.528 0.000 1.090 464 H CA 1.293 57.215 56.048 -0.210 0.000 1.332 464 H CB 0.281 29.991 29.762 -0.087 0.000 1.386 464 H HN 0.723 nan 8.280 nan 0.000 0.516 465 E N 0.886 120.823 120.200 -0.438 0.000 2.047 465 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 465 E C 2.508 178.907 176.600 -0.335 0.000 0.987 465 E CA 0.434 56.452 56.400 -0.637 0.000 0.799 465 E CB 0.207 29.768 29.700 -0.231 0.000 0.752 465 E HN 0.208 nan 8.360 nan 0.000 0.449 466 R N 0.558 120.943 120.500 -0.192 0.000 2.081 466 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 466 R C 1.965 178.198 176.300 -0.112 0.000 1.131 466 R CA 1.856 57.883 56.100 -0.121 0.000 0.960 466 R CB -0.082 30.163 30.300 -0.092 0.000 0.856 466 R HN 0.263 nan 8.270 nan 0.000 0.436 467 E N -0.304 119.824 120.200 -0.120 0.000 2.150 467 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 467 E C 1.869 178.430 176.600 -0.066 0.000 0.985 467 E CA 0.921 57.278 56.400 -0.072 0.000 0.814 467 E CB -0.038 29.638 29.700 -0.039 0.000 0.752 467 E HN 0.418 nan 8.360 nan 0.000 0.466 468 A N 1.254 123.993 122.820 -0.135 0.000 1.969 468 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 468 A C 2.025 179.589 177.584 -0.032 0.000 1.169 468 A CA 1.177 53.165 52.037 -0.083 0.000 0.635 468 A CB -0.290 18.598 19.000 -0.185 0.000 0.810 468 A HN 0.163 nan 8.150 nan 0.000 0.445 469 Q N -0.663 119.103 119.800 -0.057 0.000 2.119 469 Q HA -0.090 4.249 4.340 -0.001 0.000 0.201 469 Q C 1.905 177.899 176.000 -0.010 0.000 0.972 469 Q CA 1.053 56.844 55.803 -0.020 0.000 0.847 469 Q CB -0.180 28.541 28.738 -0.028 0.000 0.903 469 Q HN 0.602 nan 8.270 nan 0.000 0.433 470 I N 0.646 121.204 120.570 -0.019 0.000 2.163 470 I HA -0.237 3.932 4.170 -0.001 0.000 0.240 470 I C 2.292 178.412 176.117 0.005 0.000 1.081 470 I CA 1.049 62.344 61.300 -0.009 0.000 1.353 470 I CB -0.990 37.001 38.000 -0.015 0.000 1.054 470 I HN 0.243 nan 8.210 nan 0.000 0.407 471 I N 1.029 121.604 120.570 0.008 0.000 2.194 471 I HA -0.311 3.858 4.170 -0.001 0.000 0.246 471 I C 2.508 178.640 176.117 0.025 0.000 1.093 471 I CA 1.488 62.801 61.300 0.021 0.000 1.355 471 I CB -1.052 36.965 38.000 0.028 0.000 1.046 471 I HN 0.395 nan 8.210 nan 0.000 0.413 472 E N 0.440 120.655 120.200 0.026 0.000 2.267 472 E HA -0.214 4.135 4.350 -0.001 0.000 0.197 472 E C 1.258 177.873 176.600 0.024 0.000 0.998 472 E CA 0.982 57.399 56.400 0.029 0.000 0.830 472 E CB 0.230 29.950 29.700 0.033 0.000 0.751 472 E HN 0.373 nan 8.360 nan 0.000 0.491 473 E N -1.100 119.112 120.200 0.021 0.000 2.501 473 E HA 0.125 4.474 4.350 -0.001 0.000 0.201 473 E C 0.986 177.602 176.600 0.026 0.000 1.016 473 E CA 0.341 56.754 56.400 0.022 0.000 0.920 473 E CB 1.062 30.772 29.700 0.017 0.000 1.023 473 E HN 0.271 nan 8.360 nan 0.000 0.474 474 A N 0.580 123.416 122.820 0.027 0.000 2.209 474 A HA 0.047 4.366 4.320 -0.001 0.000 0.212 474 A C 1.959 179.563 177.584 0.034 0.000 1.158 474 A CA 1.242 53.298 52.037 0.031 0.000 0.742 474 A CB -0.241 18.776 19.000 0.029 0.000 0.790 474 A HN 0.201 nan 8.150 nan 0.000 0.472 475 G N -1.319 107.500 108.800 0.031 0.000 3.233 475 G HA2 0.250 4.209 3.960 -0.001 0.000 0.234 475 G HA3 0.250 4.209 3.960 -0.001 0.000 0.234 475 G C 0.372 175.289 174.900 0.029 0.000 1.137 475 G CA -0.265 44.853 45.100 0.030 0.000 0.763 475 G HN 0.363 nan 8.290 nan 0.000 0.549 476 Q N 0.758 120.577 119.800 0.032 0.000 2.299 476 Q HA 0.210 4.549 4.340 -0.001 0.000 0.246 476 Q C 0.058 176.079 176.000 0.036 0.000 0.935 476 Q CA -0.400 55.421 55.803 0.030 0.000 0.887 476 Q CB 1.744 30.500 28.738 0.029 0.000 1.223 476 Q HN 0.265 nan 8.270 nan 0.000 0.439 477 K N 0.030 120.445 120.400 0.025 0.000 2.550 477 K HA -0.006 4.313 4.320 -0.001 0.000 0.280 477 K C 0.855 177.478 176.600 0.038 0.000 0.987 477 K CA 1.311 57.609 56.287 0.019 0.000 1.048 477 K CB -0.094 32.406 32.500 -0.000 0.000 0.879 477 K HN 0.834 nan 8.250 nan 0.000 0.491 478 G N 1.841 110.668 108.800 0.046 0.000 2.245 478 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.264 478 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.264 478 G C 0.170 175.229 174.900 0.264 0.000 0.985 478 G CA 0.241 45.422 45.100 0.134 0.000 0.625 478 G HN 0.965 nan 8.290 nan 0.000 0.536 479 A N -0.256 122.653 122.820 0.148 0.000 2.477 479 A HA 0.595 4.914 4.320 -0.001 0.000 0.246 479 A C 0.216 177.868 177.584 0.114 0.000 1.078 479 A CA 0.829 52.934 52.037 0.114 0.000 0.770 479 A CB 0.878 19.919 19.000 0.070 0.000 1.011 479 A HN 1.243 nan 8.150 nan 0.000 0.494 480 V N 3.455 123.417 119.914 0.080 0.000 2.488 480 V HA 0.434 4.553 4.120 -0.001 0.000 0.293 480 V C -0.247 175.879 176.094 0.054 0.000 1.027 480 V CA -0.361 61.970 62.300 0.051 0.000 0.862 480 V CB 1.727 33.546 31.823 -0.006 0.000 1.008 480 V HN 0.968 nan 8.190 nan 0.000 0.428 481 T N 6.043 120.619 114.554 0.036 0.000 2.824 481 T HA 0.690 5.039 4.350 -0.001 0.000 0.282 481 T C -0.378 174.332 174.700 0.018 0.000 0.993 481 T CA -0.305 61.816 62.100 0.036 0.000 0.967 481 T CB 1.723 70.608 68.868 0.029 0.000 0.960 481 T HN 0.374 nan 8.240 nan 0.000 0.441 482 I N 2.610 123.196 120.570 0.027 0.000 2.362 482 I HA 0.662 4.831 4.170 -0.001 0.000 0.289 482 I C -0.005 176.121 176.117 0.015 0.000 0.994 482 I CA -0.807 60.494 61.300 0.003 0.000 1.158 482 I CB 1.290 39.283 38.000 -0.012 0.000 1.315 482 I HN 0.697 nan 8.210 nan 0.000 0.451 483 A N 4.246 127.077 122.820 0.019 0.000 2.393 483 A HA 0.732 5.051 4.320 -0.001 0.000 0.306 483 A C -0.270 177.342 177.584 0.048 0.000 1.050 483 A CA -0.550 51.507 52.037 0.032 0.000 0.724 483 A CB 1.236 20.259 19.000 0.038 0.000 1.248 483 A HN 0.603 nan 8.150 nan 0.000 0.424 484 T N 1.883 116.468 114.554 0.052 0.000 2.884 484 T HA 0.161 4.510 4.350 -0.001 0.000 0.298 484 T C 1.557 176.313 174.700 0.094 0.000 0.998 484 T CA 0.367 62.511 62.100 0.072 0.000 1.124 484 T CB 0.639 69.542 68.868 0.059 0.000 0.931 484 T HN 0.872 nan 8.240 nan 0.000 0.531 485 N N 3.032 121.812 118.700 0.133 0.000 2.310 485 N HA -0.230 4.510 4.740 -0.001 0.000 0.193 485 N C 1.225 176.788 175.510 0.088 0.000 1.001 485 N CA 1.571 54.695 53.050 0.124 0.000 0.890 485 N CB -0.306 38.280 38.487 0.166 0.000 0.972 485 N HN 0.446 nan 8.380 nan 0.000 0.445 486 M N -0.406 119.251 119.600 0.094 0.000 2.494 486 M HA 0.327 4.806 4.480 -0.001 0.000 0.232 486 M C 0.255 176.622 176.300 0.112 0.000 1.137 486 M CA -0.089 55.269 55.300 0.097 0.000 1.012 486 M CB -0.397 32.267 32.600 0.107 0.000 1.567 486 M HN 0.329 nan 8.290 nan 0.000 0.486 487 A N -0.753 122.124 122.820 0.096 0.000 2.312 487 A HA 0.659 4.978 4.320 -0.001 0.000 0.328 487 A C 1.205 178.839 177.584 0.083 0.000 1.158 487 A CA 0.220 52.316 52.037 0.099 0.000 0.821 487 A CB 0.515 19.555 19.000 0.067 0.000 1.170 487 A HN 0.675 nan 8.150 nan 0.000 0.490 488 G N 0.864 109.719 108.800 0.092 0.000 2.168 488 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.263 488 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.263 488 G C 0.407 175.345 174.900 0.063 0.000 0.977 488 G CA 0.655 45.795 45.100 0.067 0.000 0.659 488 G HN 0.909 nan 8.290 nan 0.000 0.533 489 R N -0.345 120.191 120.500 0.061 0.000 2.537 489 R HA 0.415 4.754 4.340 -0.001 0.000 0.280 489 R C 1.565 177.892 176.300 0.045 0.000 1.058 489 R CA 1.088 57.213 56.100 0.041 0.000 1.057 489 R CB 0.434 30.749 30.300 0.026 0.000 0.973 489 R HN 1.237 nan 8.270 nan 0.000 0.438 490 G N 1.698 110.521 108.800 0.038 0.000 2.175 490 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 490 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 490 G C 0.015 174.952 174.900 0.063 0.000 0.982 490 G CA 0.083 45.209 45.100 0.042 0.000 0.641 490 G HN 0.570 nan 8.290 nan 0.000 0.527 491 T N 1.552 116.148 114.554 0.069 0.000 2.809 491 T HA 0.522 4.871 4.350 -0.001 0.000 0.284 491 T C -0.769 173.960 174.700 0.048 0.000 0.992 491 T CA -0.514 61.629 62.100 0.072 0.000 0.957 491 T CB 1.816 70.740 68.868 0.094 0.000 0.942 491 T HN 0.155 nan 8.240 nan 0.000 0.439 492 D N 2.167 122.591 120.400 0.040 0.000 2.414 492 D HA 0.216 4.856 4.640 -0.001 0.000 0.242 492 D C 0.038 176.357 176.300 0.033 0.000 1.129 492 D CA 0.101 54.121 54.000 0.033 0.000 0.885 492 D CB 0.622 41.440 40.800 0.029 0.000 1.198 492 D HN 0.418 nan 8.370 nan 0.000 0.437 493 I N 2.908 123.496 120.570 0.031 0.000 2.330 493 I HA 0.161 4.330 4.170 -0.001 0.000 0.286 493 I C 0.450 176.584 176.117 0.028 0.000 1.025 493 I CA -0.564 60.753 61.300 0.030 0.000 1.197 493 I CB 0.609 38.627 38.000 0.029 0.000 1.358 493 I HN -0.014 nan 8.210 nan 0.000 0.467 494 K N 6.366 126.782 120.400 0.027 0.000 2.143 494 K HA 0.542 4.861 4.320 -0.001 0.000 0.272 494 K C -0.580 176.034 176.600 0.024 0.000 1.001 494 K CA -0.687 55.615 56.287 0.025 0.000 0.915 494 K CB 1.599 34.113 32.500 0.024 0.000 1.047 494 K HN 0.463 nan 8.250 nan 0.000 0.458 495 L N 2.023 123.260 121.223 0.022 0.000 2.380 495 L HA 0.183 4.522 4.340 -0.001 0.000 0.273 495 L C 1.026 177.908 176.870 0.019 0.000 1.138 495 L CA -0.358 54.494 54.840 0.021 0.000 0.832 495 L CB 0.537 42.608 42.059 0.019 0.000 1.124 495 L HN 0.743 nan 8.230 nan 0.000 0.454 496 G N 1.338 110.149 108.800 0.018 0.000 2.562 496 G HA2 0.238 4.197 3.960 -0.001 0.000 0.275 496 G HA3 0.238 4.197 3.960 -0.001 0.000 0.275 496 G C -0.410 174.498 174.900 0.012 0.000 1.196 496 G CA -0.483 44.626 45.100 0.016 0.000 0.908 496 G HN 0.597 nan 8.290 nan 0.000 0.524 497 E N -0.614 119.592 120.200 0.010 0.000 2.558 497 E HA 0.340 4.690 4.350 -0.001 0.000 0.255 497 E C 1.373 177.976 176.600 0.005 0.000 0.968 497 E CA 1.698 58.102 56.400 0.008 0.000 0.939 497 E CB 0.217 29.921 29.700 0.006 0.000 0.921 497 E HN 1.193 nan 8.360 nan 0.000 0.477 498 G N 2.331 111.134 108.800 0.004 0.000 2.184 498 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.264 498 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.264 498 G C 0.934 175.835 174.900 0.002 0.000 0.975 498 G CA 0.352 45.453 45.100 0.002 0.000 0.642 498 G HN 0.443 nan 8.290 nan 0.000 0.536 499 V N 2.347 122.264 119.914 0.006 0.000 2.379 499 V HA -0.075 4.044 4.120 -0.001 0.000 0.243 499 V C 2.960 179.059 176.094 0.009 0.000 1.035 499 V CA 2.529 64.834 62.300 0.009 0.000 1.035 499 V CB -0.198 31.633 31.823 0.014 0.000 0.673 499 V HN 0.711 nan 8.190 nan 0.000 0.457 500 K N 0.605 121.011 120.400 0.010 0.000 2.063 500 K HA -0.263 4.056 4.320 -0.001 0.000 0.208 500 K C 1.764 178.369 176.600 0.007 0.000 1.048 500 K CA 2.052 58.344 56.287 0.010 0.000 0.928 500 K CB -0.536 31.970 32.500 0.009 0.000 0.713 500 K HN 0.372 nan 8.250 nan 0.000 0.442 501 E N 1.351 121.554 120.200 0.005 0.000 2.160 501 E HA -0.075 4.274 4.350 -0.001 0.000 0.195 501 E C 2.010 178.612 176.600 0.003 0.000 0.991 501 E CA 0.997 57.399 56.400 0.003 0.000 0.810 501 E CB -0.300 29.401 29.700 0.001 0.000 0.742 501 E HN 0.338 nan 8.360 nan 0.000 0.466 502 L N -1.531 119.694 121.223 0.003 0.000 2.492 502 L HA 0.164 4.503 4.340 -0.001 0.000 0.223 502 L C 1.324 178.199 176.870 0.008 0.000 1.132 502 L CA 0.573 55.415 54.840 0.003 0.000 0.850 502 L CB 0.057 42.116 42.059 0.000 0.000 0.966 502 L HN 0.390 nan 8.230 nan 0.000 0.454 503 G N -1.213 107.594 108.800 0.010 0.000 2.205 503 G HA2 0.016 3.975 3.960 -0.001 0.000 0.180 503 G HA3 0.016 3.975 3.960 -0.001 0.000 0.180 503 G C 0.613 175.523 174.900 0.017 0.000 1.004 503 G CA -0.304 44.804 45.100 0.014 0.000 0.670 503 G HN 0.692 nan 8.290 nan 0.000 0.496 504 G N -0.794 108.016 108.800 0.016 0.000 2.642 504 G HA2 0.150 4.109 3.960 -0.001 0.000 0.231 504 G HA3 0.150 4.109 3.960 -0.001 0.000 0.231 504 G C -0.061 174.852 174.900 0.023 0.000 1.338 504 G CA 0.101 45.212 45.100 0.019 0.000 0.883 504 G HN 1.725 nan 8.290 nan 0.000 0.570 505 L N 1.049 122.286 121.223 0.024 0.000 2.367 505 L HA 0.681 5.021 4.340 -0.001 0.000 0.275 505 L C 0.938 177.824 176.870 0.028 0.000 1.129 505 L CA 0.657 55.513 54.840 0.027 0.000 0.839 505 L CB 0.608 42.683 42.059 0.027 0.000 1.133 505 L HN 1.748 nan 8.230 nan 0.000 0.453 506 A N 5.651 128.490 122.820 0.031 0.000 2.260 506 A HA 0.663 4.982 4.320 -0.001 0.000 0.314 506 A C -0.831 176.767 177.584 0.023 0.000 1.257 506 A CA -0.542 51.514 52.037 0.032 0.000 0.871 506 A CB 0.721 19.745 19.000 0.041 0.000 1.166 506 A HN 0.541 nan 8.150 nan 0.000 0.522 507 V N 3.706 123.629 119.914 0.014 0.000 2.398 507 V HA 0.396 4.515 4.120 -0.001 0.000 0.286 507 V C -0.320 175.744 176.094 -0.050 0.000 1.026 507 V CA -0.414 61.877 62.300 -0.017 0.000 0.868 507 V CB 1.599 33.411 31.823 -0.018 0.000 0.982 507 V HN 0.620 nan 8.190 nan 0.000 0.443 508 V N 4.132 124.007 119.914 -0.064 0.000 2.378 508 V HA 0.657 4.777 4.120 -0.001 0.000 0.288 508 V C 0.682 176.659 176.094 -0.195 0.000 1.016 508 V CA -0.420 61.849 62.300 -0.052 0.000 0.840 508 V CB 1.635 33.470 31.823 0.020 0.000 0.994 508 V HN 0.937 nan 8.190 nan 0.000 0.431 509 G N 2.038 110.555 108.800 -0.471 0.000 2.356 509 G HA2 0.468 4.427 3.960 -0.001 0.000 0.298 509 G HA3 0.468 4.427 3.960 -0.001 0.000 0.298 509 G C 0.790 175.634 174.900 -0.093 0.000 1.145 509 G CA 0.310 44.999 45.100 -0.685 0.000 0.850 509 G HN 0.796 nan 8.290 nan 0.000 0.487 510 T N -1.509 113.075 114.554 0.049 0.000 3.044 510 T HA 0.268 4.617 4.350 -0.001 0.000 0.250 510 T C 0.474 175.280 174.700 0.176 0.000 1.081 510 T CA 0.539 62.740 62.100 0.169 0.000 1.040 510 T CB -0.246 68.765 68.868 0.238 0.000 0.962 510 T HN 0.789 nan 8.240 nan 0.000 0.506 511 E N -0.364 119.951 120.200 0.192 0.000 2.393 511 E HA 0.378 4.727 4.350 -0.001 0.000 0.282 511 E C -1.513 175.150 176.600 0.105 0.000 1.096 511 E CA -1.332 55.151 56.400 0.138 0.000 0.866 511 E CB 0.802 30.528 29.700 0.043 0.000 1.232 511 E HN -0.181 nan 8.360 nan 0.000 0.431 512 R N 1.494 122.018 120.500 0.041 0.000 2.490 512 R HA 0.323 4.662 4.340 -0.001 0.000 0.280 512 R C -0.425 175.819 176.300 -0.094 0.000 1.077 512 R CA -0.271 55.801 56.100 -0.047 0.000 1.065 512 R CB 0.102 30.366 30.300 -0.060 0.000 1.003 512 R HN 0.552 nan 8.270 nan 0.000 0.470 513 H N 0.559 119.655 119.070 0.043 0.000 2.509 513 H HA 0.105 4.660 4.556 -0.001 0.000 0.359 513 H C 1.094 176.441 175.328 0.031 0.000 1.253 513 H CA -0.535 55.548 56.048 0.059 0.000 1.373 513 H CB 0.905 30.710 29.762 0.072 0.000 1.555 513 H HN 0.430 nan 8.280 nan 0.000 0.586 514 E N 0.172 120.476 120.200 0.173 0.000 2.209 514 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 514 E C 0.210 176.860 176.600 0.082 0.000 0.993 514 E CA 0.905 57.369 56.400 0.106 0.000 0.819 514 E CB 0.148 29.906 29.700 0.097 0.000 0.745 514 E HN 0.335 nan 8.360 nan 0.000 0.477 515 S N -1.061 114.695 115.700 0.093 0.000 2.521 515 S HA 0.355 4.824 4.470 -0.001 0.000 0.295 515 S C 0.540 175.157 174.600 0.027 0.000 1.098 515 S CA -0.713 57.513 58.200 0.042 0.000 0.999 515 S CB 1.334 64.552 63.200 0.030 0.000 1.034 515 S HN -0.070 nan 8.310 nan 0.000 0.483 516 R N 2.079 122.574 120.500 -0.010 0.000 2.189 516 R HA 0.076 4.415 4.340 -0.001 0.000 0.223 516 R C 2.144 178.421 176.300 -0.039 0.000 1.092 516 R CA 0.887 56.965 56.100 -0.037 0.000 0.989 516 R CB -0.064 30.202 30.300 -0.056 0.000 0.876 516 R HN 0.602 nan 8.270 nan 0.000 0.457 517 R N 0.420 120.903 120.500 -0.028 0.000 2.091 517 R HA -0.127 4.213 4.340 -0.001 0.000 0.238 517 R C 2.009 178.275 176.300 -0.057 0.000 1.136 517 R CA 1.257 57.341 56.100 -0.026 0.000 0.959 517 R CB -0.298 29.999 30.300 -0.005 0.000 0.856 517 R HN 0.153 nan 8.270 nan 0.000 0.437 518 I N 1.326 121.831 120.570 -0.110 0.000 2.315 518 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 518 I C 1.574 177.500 176.117 -0.318 0.000 1.117 518 I CA 1.378 62.513 61.300 -0.276 0.000 1.404 518 I CB -1.195 36.520 38.000 -0.473 0.000 1.071 518 I HN 0.088 nan 8.210 nan 0.000 0.419 519 D N 1.306 121.623 120.400 -0.140 0.000 2.104 519 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 519 D C 1.841 178.229 176.300 0.145 0.000 0.994 519 D CA 1.125 55.186 54.000 0.102 0.000 0.830 519 D CB -0.374 40.330 40.800 -0.160 0.000 0.959 519 D HN 0.311 nan 8.370 nan 0.000 0.452 520 N N 0.593 119.313 118.700 0.033 0.000 2.396 520 N HA -0.079 4.660 4.740 -0.001 0.000 0.180 520 N C 1.712 177.253 175.510 0.051 0.000 1.028 520 N CA 0.415 53.496 53.050 0.051 0.000 0.893 520 N CB -0.077 38.416 38.487 0.010 0.000 0.967 520 N HN 0.417 nan 8.380 nan 0.000 0.440 521 Q N 0.020 119.831 119.800 0.019 0.000 2.172 521 Q HA -0.024 4.315 4.340 -0.001 0.000 0.200 521 Q C 1.854 177.881 176.000 0.044 0.000 0.964 521 Q CA 0.537 56.349 55.803 0.014 0.000 0.855 521 Q CB 0.017 28.745 28.738 -0.016 0.000 0.918 521 Q HN 0.188 nan 8.270 nan 0.000 0.444 522 L N 0.816 122.089 121.223 0.084 0.000 2.044 522 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 522 L C 2.085 179.023 176.870 0.112 0.000 1.075 522 L CA 1.674 56.581 54.840 0.113 0.000 0.747 522 L CB -0.280 41.902 42.059 0.205 0.000 0.903 522 L HN -0.017 nan 8.230 nan 0.000 0.435 523 R N -0.461 120.144 120.500 0.174 0.000 2.105 523 R HA -0.120 4.219 4.340 -0.001 0.000 0.239 523 R C 2.036 178.385 176.300 0.081 0.000 1.135 523 R CA 1.225 57.413 56.100 0.146 0.000 0.967 523 R CB -0.948 29.458 30.300 0.177 0.000 0.861 523 R HN 0.586 nan 8.270 nan 0.000 0.442 524 G N 0.600 109.439 108.800 0.064 0.000 2.625 524 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.214 524 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.214 524 G C 1.159 176.079 174.900 0.034 0.000 1.132 524 G CA -0.076 45.048 45.100 0.040 0.000 0.782 524 G HN 0.275 nan 8.290 nan 0.000 0.538 525 R N 0.188 120.711 120.500 0.038 0.000 2.237 525 R HA 0.062 4.401 4.340 -0.001 0.000 0.219 525 R C 1.241 177.559 176.300 0.030 0.000 1.080 525 R CA 0.575 56.694 56.100 0.032 0.000 0.995 525 R CB -0.112 30.208 30.300 0.033 0.000 0.875 525 R HN 0.340 nan 8.270 nan 0.000 0.462 526 S N -1.093 114.626 115.700 0.031 0.000 2.718 526 S HA 0.470 4.939 4.470 -0.001 0.000 0.300 526 S C 0.501 175.116 174.600 0.026 0.000 1.117 526 S CA 0.091 58.308 58.200 0.028 0.000 1.002 526 S CB 1.651 64.869 63.200 0.030 0.000 1.092 526 S HN 0.430 nan 8.310 nan 0.000 0.542 527 G N 2.551 111.364 108.800 0.022 0.000 2.295 527 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.287 527 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.287 527 G C -0.044 174.863 174.900 0.012 0.000 1.055 527 G CA 0.683 45.793 45.100 0.016 0.000 0.922 527 G HN 1.012 nan 8.290 nan 0.000 0.503 528 R N -0.678 119.831 120.500 0.015 0.000 2.490 528 R HA 0.548 4.887 4.340 -0.001 0.000 0.278 528 R C 0.446 176.751 176.300 0.008 0.000 1.069 528 R CA -0.375 55.733 56.100 0.014 0.000 1.080 528 R CB 0.680 30.993 30.300 0.022 0.000 1.030 528 R HN 0.155 nan 8.270 nan 0.000 0.491 529 Q N 0.736 120.536 119.800 -0.001 0.000 2.439 529 Q HA -0.234 4.105 4.340 -0.001 0.000 0.325 529 Q C 0.825 176.810 176.000 -0.027 0.000 1.372 529 Q CA 1.494 57.284 55.803 -0.021 0.000 0.909 529 Q CB -1.803 26.939 28.738 0.006 0.000 1.167 529 Q HN 1.273 nan 8.270 nan 0.000 0.418 530 G N -0.414 108.371 108.800 -0.026 0.000 2.189 530 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.267 530 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.267 530 G C 0.007 174.902 174.900 -0.008 0.000 0.975 530 G CA 0.383 45.470 45.100 -0.022 0.000 0.644 530 G HN 0.486 nan 8.290 nan 0.000 0.537 531 D N 1.724 122.124 120.400 -0.001 0.000 2.400 531 D HA 0.363 5.002 4.640 -0.001 0.000 0.238 531 D C -1.231 175.073 176.300 0.007 0.000 1.157 531 D CA -0.563 53.440 54.000 0.005 0.000 0.889 531 D CB 0.800 41.607 40.800 0.011 0.000 1.199 531 D HN 0.286 nan 8.370 nan 0.000 0.436 532 P HA 0.396 nan 4.420 nan 0.000 0.276 532 P C -0.218 177.090 177.300 0.015 0.000 1.261 532 P CA -0.432 62.674 63.100 0.010 0.000 0.800 532 P CB 1.145 32.851 31.700 0.010 0.000 1.066 533 G N -0.560 108.250 108.800 0.017 0.000 2.338 533 G HA2 0.485 4.444 3.960 -0.001 0.000 0.295 533 G HA3 0.485 4.444 3.960 -0.001 0.000 0.295 533 G C -2.263 172.652 174.900 0.026 0.000 1.461 533 G CA -0.520 44.593 45.100 0.022 0.000 0.817 533 G HN 0.653 nan 8.290 nan 0.000 0.556 534 I N 0.459 121.047 120.570 0.030 0.000 2.752 534 I HA 0.781 4.950 4.170 -0.001 0.000 0.295 534 I C -0.430 175.710 176.117 0.038 0.000 1.219 534 I CA -0.555 60.765 61.300 0.034 0.000 1.030 534 I CB 2.529 40.549 38.000 0.035 0.000 1.259 534 I HN 0.933 nan 8.210 nan 0.000 0.423 535 T N 2.858 117.439 114.554 0.046 0.000 2.876 535 T HA 0.722 5.072 4.350 -0.001 0.000 0.289 535 T C -0.980 173.752 174.700 0.054 0.000 1.014 535 T CA -0.595 61.533 62.100 0.047 0.000 0.986 535 T CB 1.831 70.751 68.868 0.087 0.000 1.021 535 T HN 0.633 nan 8.240 nan 0.000 0.458 536 Q N 1.894 121.698 119.800 0.007 0.000 2.263 536 Q HA 0.584 4.924 4.340 -0.001 0.000 0.262 536 Q C -2.299 173.646 176.000 -0.093 0.000 0.984 536 Q CA -0.557 55.237 55.803 -0.016 0.000 0.813 536 Q CB 1.306 30.016 28.738 -0.046 0.000 1.299 536 Q HN 0.714 nan 8.270 nan 0.000 0.428 537 F N 3.119 123.030 119.950 -0.064 0.000 2.404 537 F HA 0.499 5.026 4.527 -0.001 0.000 0.339 537 F C -0.608 175.120 175.800 -0.121 0.000 1.105 537 F CA -0.177 57.827 58.000 0.006 0.000 1.087 537 F CB 1.029 40.046 39.000 0.027 0.000 1.143 537 F HN 0.495 nan 8.300 nan 0.000 0.491 538 Y N 4.206 124.606 120.300 0.168 0.000 2.335 538 Y HA 0.660 5.210 4.550 -0.001 0.000 0.338 538 Y C -0.298 175.669 175.900 0.112 0.000 0.977 538 Y CA -0.680 57.499 58.100 0.132 0.000 1.114 538 Y CB 1.187 39.653 38.460 0.009 0.000 1.182 538 Y HN 0.292 nan 8.280 nan 0.000 0.463 539 L N 2.084 123.456 121.223 0.248 0.000 2.277 539 L HA 0.832 5.171 4.340 -0.001 0.000 0.254 539 L C -0.480 176.475 176.870 0.142 0.000 1.044 539 L CA -1.086 53.842 54.840 0.145 0.000 0.842 539 L CB 2.371 44.497 42.059 0.111 0.000 1.422 539 L HN 0.603 nan 8.230 nan 0.000 0.422 540 S N -0.860 114.876 115.700 0.060 0.000 2.579 540 S HA 0.482 4.952 4.470 -0.001 0.000 0.272 540 S C 0.222 174.843 174.600 0.035 0.000 1.141 540 S CA -0.808 57.426 58.200 0.057 0.000 0.843 540 S CB 1.789 64.978 63.200 -0.019 0.000 1.122 540 S HN 0.678 nan 8.310 nan 0.000 0.468 541 M N 1.178 120.801 119.600 0.039 0.000 2.358 541 M HA -0.013 4.466 4.480 -0.001 0.000 0.264 541 M C 1.493 177.805 176.300 0.019 0.000 1.064 541 M CA 1.386 56.703 55.300 0.029 0.000 1.093 541 M CB -0.472 32.147 32.600 0.031 0.000 1.401 541 M HN 0.786 nan 8.290 nan 0.000 0.440 542 E N 0.076 120.282 120.200 0.010 0.000 2.435 542 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 542 E C -0.158 176.445 176.600 0.005 0.000 1.029 542 E CA -0.040 56.363 56.400 0.005 0.000 0.865 542 E CB 0.107 29.805 29.700 -0.002 0.000 0.833 542 E HN 0.427 nan 8.360 nan 0.000 0.510 543 D N 1.535 121.936 120.400 0.002 0.000 2.419 543 D HA -0.059 4.580 4.640 -0.001 0.000 0.236 543 D C 1.272 177.585 176.300 0.021 0.000 1.165 543 D CA 0.177 54.182 54.000 0.009 0.000 0.882 543 D CB 0.651 41.457 40.800 0.011 0.000 1.201 543 D HN -0.058 nan 8.370 nan 0.000 0.443 544 E N 0.704 120.919 120.200 0.026 0.000 2.049 544 E HA -0.194 4.155 4.350 -0.001 0.000 0.198 544 E C 1.921 178.544 176.600 0.038 0.000 1.007 544 E CA 0.725 57.144 56.400 0.031 0.000 0.809 544 E CB -0.249 29.472 29.700 0.035 0.000 0.749 544 E HN 0.352 nan 8.360 nan 0.000 0.450 545 L N 0.306 121.555 121.223 0.043 0.000 2.083 545 L HA -0.100 4.239 4.340 -0.001 0.000 0.209 545 L C 2.151 179.057 176.870 0.060 0.000 1.083 545 L CA 1.434 56.309 54.840 0.059 0.000 0.752 545 L CB -0.381 41.706 42.059 0.047 0.000 0.899 545 L HN 0.023 nan 8.230 nan 0.000 0.433 546 M N -0.510 119.115 119.600 0.042 0.000 2.632 546 M HA -0.053 4.426 4.480 -0.001 0.000 0.256 546 M C 1.595 177.916 176.300 0.035 0.000 1.080 546 M CA 1.226 56.549 55.300 0.038 0.000 1.084 546 M CB -0.538 32.080 32.600 0.029 0.000 1.439 546 M HN 0.177 nan 8.290 nan 0.000 0.509 547 R N -1.382 119.136 120.500 0.031 0.000 2.468 547 R HA 0.193 4.532 4.340 -0.001 0.000 0.280 547 R C 0.972 177.271 176.300 -0.002 0.000 0.963 547 R CA -0.264 55.844 56.100 0.013 0.000 1.083 547 R CB 0.609 30.912 30.300 0.005 0.000 1.200 547 R HN 0.158 nan 8.270 nan 0.000 0.541 548 R N 0.445 120.968 120.500 0.039 0.000 1.575 548 R HA 0.188 4.527 4.340 -0.001 0.000 0.094 548 R C 1.218 177.518 176.300 0.000 0.000 0.590 548 R CA 0.235 56.357 56.100 0.036 0.000 1.957 548 R CB -0.586 29.883 30.300 0.282 0.000 0.778 548 R HN -0.117 nan 8.270 nan 0.000 0.730 549 F N 0.110 120.061 119.950 0.002 0.000 2.014 549 F HA 0.023 4.549 4.527 -0.001 0.000 0.294 549 F C 2.557 178.356 175.800 -0.002 0.000 1.392 549 F CA 1.362 59.362 58.000 0.001 0.000 1.150 549 F CB -1.470 37.530 39.000 0.001 0.000 0.935 549 F HN 0.522 nan 8.300 nan 0.000 0.507 550 G N -0.571 108.386 108.800 0.262 0.000 2.450 550 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.220 550 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.220 550 G C 1.718 176.666 174.900 0.081 0.000 1.130 550 G CA 1.068 46.240 45.100 0.119 0.000 0.760 550 G HN 0.599 nan 8.290 nan 0.000 0.557 551 A N 0.868 123.745 122.820 0.095 0.000 1.948 551 A HA -0.100 4.219 4.320 -0.001 0.000 0.220 551 A C 2.148 179.760 177.584 0.046 0.000 1.177 551 A CA 2.336 54.410 52.037 0.061 0.000 0.636 551 A CB -0.397 18.645 19.000 0.071 0.000 0.815 551 A HN 0.446 nan 8.150 nan 0.000 0.449 552 E N 0.370 120.599 120.200 0.049 0.000 2.023 552 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 552 E C 2.178 178.791 176.600 0.021 0.000 1.003 552 E CA 1.924 58.340 56.400 0.026 0.000 0.809 552 E CB -0.421 29.284 29.700 0.009 0.000 0.755 552 E HN 0.547 nan 8.360 nan 0.000 0.449 553 R N -0.697 119.817 120.500 0.023 0.000 2.096 553 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 553 R C 2.122 178.430 176.300 0.014 0.000 1.127 553 R CA 1.877 57.987 56.100 0.017 0.000 0.968 553 R CB -0.413 29.898 30.300 0.018 0.000 0.861 553 R HN 0.280 nan 8.270 nan 0.000 0.440 554 T N 1.014 115.577 114.554 0.014 0.000 2.737 554 T HA -0.104 4.246 4.350 -0.001 0.000 0.265 554 T C 1.820 176.526 174.700 0.009 0.000 1.038 554 T CA 1.248 63.350 62.100 0.004 0.000 1.144 554 T CB -0.038 68.830 68.868 -0.001 0.000 0.866 554 T HN 0.138 nan 8.240 nan 0.000 0.434 555 M N 1.348 120.958 119.600 0.017 0.000 2.108 555 M HA 0.017 4.496 4.480 -0.001 0.000 0.261 555 M C 2.818 179.135 176.300 0.029 0.000 1.066 555 M CA 1.350 56.664 55.300 0.023 0.000 1.107 555 M CB -1.579 31.035 32.600 0.024 0.000 1.356 555 M HN 0.312 nan 8.290 nan 0.000 0.406 556 A N 0.402 123.236 122.820 0.024 0.000 1.908 556 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 556 A C 2.302 179.907 177.584 0.036 0.000 1.181 556 A CA 1.963 54.016 52.037 0.026 0.000 0.627 556 A CB -0.711 18.300 19.000 0.019 0.000 0.818 556 A HN 0.513 nan 8.150 nan 0.000 0.445 557 M N -0.157 119.462 119.600 0.031 0.000 2.132 557 M HA -0.068 4.412 4.480 -0.001 0.000 0.263 557 M C 1.951 178.297 176.300 0.077 0.000 1.065 557 M CA 1.757 57.080 55.300 0.038 0.000 1.122 557 M CB -0.848 31.756 32.600 0.007 0.000 1.365 557 M HN 0.419 nan 8.290 nan 0.000 0.411 558 L N 0.183 121.446 121.223 0.066 0.000 2.131 558 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 558 L C 2.230 179.198 176.870 0.165 0.000 1.092 558 L CA 1.354 56.270 54.840 0.127 0.000 0.759 558 L CB -0.902 41.201 42.059 0.074 0.000 0.903 558 L HN 0.308 nan 8.230 nan 0.000 0.435 559 D N 0.476 120.933 120.400 0.095 0.000 2.078 559 D HA -0.175 4.464 4.640 -0.001 0.000 0.193 559 D C 2.315 178.657 176.300 0.071 0.000 0.990 559 D CA 1.409 55.450 54.000 0.069 0.000 0.827 559 D CB 0.077 40.904 40.800 0.044 0.000 0.975 559 D HN 0.102 nan 8.370 nan 0.000 0.451 560 R N -0.799 119.749 120.500 0.080 0.000 2.120 560 R HA -0.123 4.216 4.340 -0.001 0.000 0.234 560 R C 2.291 178.655 176.300 0.106 0.000 1.123 560 R CA 0.794 56.937 56.100 0.072 0.000 0.975 560 R CB -0.518 29.822 30.300 0.067 0.000 0.866 560 R HN 0.261 nan 8.270 nan 0.000 0.446 561 F N 0.871 120.817 119.950 -0.007 0.000 2.216 561 F HA -0.047 4.479 4.527 -0.001 0.000 0.300 561 F C 1.188 176.983 175.800 -0.009 0.000 1.085 561 F CA 1.713 59.708 58.000 -0.009 0.000 1.326 561 F CB -0.021 38.972 39.000 -0.012 0.000 1.027 561 F HN 0.203 nan 8.300 nan 0.000 0.497 562 G N 1.269 109.998 108.800 -0.119 0.000 2.237 562 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.153 562 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.153 562 G C 0.217 175.006 174.900 -0.184 0.000 1.039 562 G CA -0.016 44.953 45.100 -0.219 0.000 0.719 562 G HN 0.495 nan 8.290 nan 0.000 0.491 563 M N 0.674 120.258 119.600 -0.028 0.000 2.228 563 M HA 0.491 4.970 4.480 -0.001 0.000 0.351 563 M C -0.451 175.844 176.300 -0.008 0.000 1.233 563 M CA 0.432 55.742 55.300 0.016 0.000 1.129 563 M CB 0.338 32.989 32.600 0.085 0.000 1.604 563 M HN 0.222 nan 8.290 nan 0.000 0.457 564 D N 2.085 122.476 120.400 -0.015 0.000 2.477 564 D HA 0.274 4.913 4.640 -0.001 0.000 0.234 564 D C -0.193 176.120 176.300 0.022 0.000 1.048 564 D CA -0.483 53.519 54.000 0.002 0.000 0.959 564 D CB 1.264 42.059 40.800 -0.008 0.000 1.408 564 D HN 0.497 nan 8.370 nan 0.000 0.496 565 D N -0.401 120.044 120.400 0.076 0.000 2.348 565 D HA -0.091 4.549 4.640 -0.001 0.000 0.216 565 D C 1.658 178.059 176.300 0.168 0.000 0.970 565 D CA 0.647 54.758 54.000 0.186 0.000 0.889 565 D CB 0.052 40.974 40.800 0.204 0.000 0.912 565 D HN 0.326 nan 8.370 nan 0.000 0.524 566 S N -0.336 115.412 115.700 0.080 0.000 2.353 566 S HA -0.103 4.366 4.470 -0.001 0.000 0.222 566 S C 1.201 175.827 174.600 0.042 0.000 1.035 566 S CA 0.836 59.074 58.200 0.064 0.000 1.025 566 S CB -0.262 62.956 63.200 0.029 0.000 0.902 566 S HN 0.001 nan 8.310 nan 0.000 0.440 567 T N 4.336 118.881 114.554 -0.015 0.000 2.934 567 T HA 0.466 4.815 4.350 -0.001 0.000 0.328 567 T C -2.762 171.841 174.700 -0.161 0.000 1.068 567 T CA -1.341 60.723 62.100 -0.060 0.000 1.018 567 T CB 1.926 70.778 68.868 -0.026 0.000 1.009 567 T HN 0.252 nan 8.240 nan 0.000 0.471 568 P HA 0.268 nan 4.420 nan 0.000 0.272 568 P C -0.498 176.650 177.300 -0.253 0.000 1.230 568 P CA -0.571 62.200 63.100 -0.549 0.000 0.788 568 P CB 0.877 31.915 31.700 -1.104 0.000 0.949 569 I N 1.843 122.296 120.570 -0.194 0.000 2.396 569 I HA 0.238 4.408 4.170 -0.001 0.000 0.292 569 I C 0.763 176.824 176.117 -0.093 0.000 0.999 569 I CA 0.107 61.351 61.300 -0.094 0.000 1.310 569 I CB 0.508 38.477 38.000 -0.052 0.000 1.404 569 I HN 0.515 nan 8.210 nan 0.000 0.496 570 Q N 4.412 124.172 119.800 -0.067 0.000 3.255 570 Q HA 0.287 4.626 4.340 -0.001 0.000 0.231 570 Q C -1.137 174.835 176.000 -0.047 0.000 0.935 570 Q CA -0.129 55.640 55.803 -0.057 0.000 0.714 570 Q CB 1.230 29.936 28.738 -0.054 0.000 1.345 570 Q HN 0.728 nan 8.270 nan 0.000 0.463 571 S N 1.802 117.473 115.700 -0.048 0.000 2.513 571 S HA 0.418 4.887 4.470 -0.001 0.000 0.299 571 S C 0.509 175.082 174.600 -0.044 0.000 1.087 571 S CA -0.573 57.597 58.200 -0.050 0.000 1.012 571 S CB 1.447 64.608 63.200 -0.065 0.000 1.044 571 S HN 0.629 nan 8.310 nan 0.000 0.485 572 K N 2.690 123.065 120.400 -0.041 0.000 2.155 572 K HA -0.041 4.278 4.320 -0.001 0.000 0.203 572 K C 1.915 178.492 176.600 -0.039 0.000 1.052 572 K CA 1.101 57.367 56.287 -0.036 0.000 0.948 572 K CB -0.180 32.301 32.500 -0.032 0.000 0.728 572 K HN 0.735 nan 8.250 nan 0.000 0.448 573 M N 0.847 120.420 119.600 -0.045 0.000 2.132 573 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 573 M C 1.851 178.125 176.300 -0.043 0.000 1.065 573 M CA 1.474 56.747 55.300 -0.045 0.000 1.122 573 M CB 0.103 32.670 32.600 -0.055 0.000 1.365 573 M HN -0.099 nan 8.290 nan 0.000 0.411 574 V N -0.317 119.569 119.914 -0.047 0.000 2.270 574 V HA -0.232 3.887 4.120 -0.001 0.000 0.245 574 V C 2.472 178.546 176.094 -0.032 0.000 1.043 574 V CA 2.077 64.353 62.300 -0.040 0.000 1.014 574 V CB -1.034 30.763 31.823 -0.043 0.000 0.645 574 V HN 0.609 nan 8.190 nan 0.000 0.447 575 S N -0.571 115.108 115.700 -0.035 0.000 2.387 575 S HA -0.282 4.187 4.470 -0.001 0.000 0.230 575 S C 2.226 176.804 174.600 -0.036 0.000 1.035 575 S CA 2.130 60.309 58.200 -0.035 0.000 1.014 575 S CB -0.333 62.846 63.200 -0.036 0.000 0.836 575 S HN 0.542 nan 8.310 nan 0.000 0.466 576 R N 0.037 120.516 120.500 -0.035 0.000 2.115 576 R HA 0.109 4.448 4.340 -0.001 0.000 0.226 576 R C 2.307 178.587 176.300 -0.034 0.000 1.100 576 R CA 1.045 57.123 56.100 -0.036 0.000 0.980 576 R CB -0.439 29.841 30.300 -0.034 0.000 0.875 576 R HN 0.433 nan 8.270 nan 0.000 0.445 577 A N 0.115 122.919 122.820 -0.027 0.000 1.930 577 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 577 A C 2.120 179.696 177.584 -0.014 0.000 1.175 577 A CA 1.175 53.202 52.037 -0.018 0.000 0.627 577 A CB -0.284 18.709 19.000 -0.012 0.000 0.815 577 A HN 0.203 nan 8.150 nan 0.000 0.443 578 V N -0.187 119.717 119.914 -0.017 0.000 2.427 578 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 578 V C 2.546 178.622 176.094 -0.031 0.000 1.051 578 V CA 2.268 64.560 62.300 -0.013 0.000 1.048 578 V CB -0.528 31.285 31.823 -0.017 0.000 0.666 578 V HN 0.660 nan 8.190 nan 0.000 0.456 579 E N 0.241 120.415 120.200 -0.044 0.000 2.106 579 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 579 E C 2.399 178.958 176.600 -0.070 0.000 0.984 579 E CA 1.519 57.884 56.400 -0.059 0.000 0.806 579 E CB -0.318 29.347 29.700 -0.057 0.000 0.750 579 E HN 0.471 nan 8.360 nan 0.000 0.458 580 S N -0.606 115.055 115.700 -0.065 0.000 2.382 580 S HA -0.109 4.360 4.470 -0.001 0.000 0.228 580 S C 2.024 176.540 174.600 -0.141 0.000 1.027 580 S CA 1.115 59.262 58.200 -0.088 0.000 0.991 580 S CB -0.254 62.910 63.200 -0.061 0.000 0.823 580 S HN 0.248 nan 8.310 nan 0.000 0.469 581 S N 0.989 116.633 115.700 -0.094 0.000 2.355 581 S HA -0.129 4.340 4.470 -0.001 0.000 0.222 581 S C 1.990 176.489 174.600 -0.168 0.000 1.031 581 S CA 1.245 59.378 58.200 -0.111 0.000 0.993 581 S CB -0.406 62.842 63.200 0.081 0.000 0.859 581 S HN 0.411 nan 8.310 nan 0.000 0.453 582 Q N 1.746 121.494 119.800 -0.085 0.000 2.096 582 Q HA -0.084 4.256 4.340 -0.001 0.000 0.204 582 Q C 1.779 177.711 176.000 -0.112 0.000 0.982 582 Q CA 1.748 57.510 55.803 -0.069 0.000 0.850 582 Q CB -0.298 28.408 28.738 -0.054 0.000 0.901 582 Q HN 0.447 nan 8.270 nan 0.000 0.422 583 K N -0.564 119.753 120.400 -0.138 0.000 2.097 583 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 583 K C 2.228 178.708 176.600 -0.199 0.000 1.049 583 K CA 1.139 57.342 56.287 -0.140 0.000 0.933 583 K CB -0.080 32.345 32.500 -0.124 0.000 0.717 583 K HN 0.134 nan 8.250 nan 0.000 0.442 584 R N 0.467 120.749 120.500 -0.363 0.000 2.090 584 R HA -0.048 4.291 4.340 -0.001 0.000 0.228 584 R C 2.253 178.278 176.300 -0.457 0.000 1.110 584 R CA 0.873 56.615 56.100 -0.598 0.000 0.973 584 R CB -0.298 29.197 30.300 -1.342 0.000 0.869 584 R HN 0.037 nan 8.270 nan 0.000 0.440 585 V N 1.204 120.941 119.914 -0.295 0.000 2.358 585 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 585 V C 1.978 178.087 176.094 0.024 0.000 1.047 585 V CA 1.728 64.037 62.300 0.015 0.000 1.035 585 V CB -0.340 31.535 31.823 0.086 0.000 0.658 585 V HN 0.341 nan 8.190 nan 0.000 0.452 586 E N 0.001 120.188 120.200 -0.021 0.000 2.150 586 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 586 E C 2.299 178.925 176.600 0.044 0.000 0.985 586 E CA 0.997 57.402 56.400 0.008 0.000 0.814 586 E CB -0.397 29.284 29.700 -0.031 0.000 0.752 586 E HN 0.649 nan 8.360 nan 0.000 0.466 587 G N 1.471 110.275 108.800 0.006 0.000 2.421 587 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 587 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 587 G C 1.452 176.426 174.900 0.123 0.000 1.171 587 G CA 0.626 45.764 45.100 0.064 0.000 0.775 587 G HN 0.140 nan 8.290 nan 0.000 0.543 588 N N 1.267 120.023 118.700 0.094 0.000 2.188 588 N HA -0.085 4.654 4.740 -0.001 0.000 0.184 588 N C 1.960 177.527 175.510 0.096 0.000 1.018 588 N CA 0.863 53.980 53.050 0.111 0.000 0.858 588 N CB -0.371 38.215 38.487 0.164 0.000 0.989 588 N HN 0.173 nan 8.380 nan 0.000 0.426 589 N N 0.823 119.587 118.700 0.107 0.000 2.166 589 N HA -0.118 4.621 4.740 -0.001 0.000 0.186 589 N C 1.509 177.094 175.510 0.125 0.000 1.019 589 N CA 0.439 53.547 53.050 0.097 0.000 0.856 589 N CB -0.516 38.027 38.487 0.093 0.000 0.993 589 N HN 0.202 nan 8.380 nan 0.000 0.426 590 F N 2.196 122.142 119.950 -0.007 0.000 2.186 590 F HA -0.071 4.455 4.527 -0.002 0.000 0.299 590 F C 1.700 177.495 175.800 -0.009 0.000 1.090 590 F CA 1.081 59.070 58.000 -0.018 0.000 1.307 590 F CB -0.205 38.779 39.000 -0.028 0.000 1.019 590 F HN -0.088 nan 8.300 nan 0.000 0.489 591 D N -0.295 120.036 120.400 -0.116 0.000 2.117 591 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 591 D C 2.457 178.660 176.300 -0.162 0.000 0.987 591 D CA 1.586 55.470 54.000 -0.193 0.000 0.829 591 D CB -0.360 40.410 40.800 -0.049 0.000 0.961 591 D HN 0.258 nan 8.370 nan 0.000 0.460 592 S N 0.702 116.354 115.700 -0.080 0.000 2.356 592 S HA -0.142 4.327 4.470 -0.001 0.000 0.223 592 S C 1.936 176.486 174.600 -0.085 0.000 1.032 592 S CA 0.851 59.014 58.200 -0.063 0.000 1.005 592 S CB -0.072 63.112 63.200 -0.026 0.000 0.867 592 S HN 0.256 nan 8.310 nan 0.000 0.449 593 R N 1.200 121.645 120.500 -0.091 0.000 2.094 593 R HA -0.121 4.218 4.340 -0.001 0.000 0.239 593 R C 2.463 178.682 176.300 -0.135 0.000 1.137 593 R CA 1.637 57.689 56.100 -0.080 0.000 0.943 593 R CB -0.304 29.979 30.300 -0.028 0.000 0.850 593 R HN 0.337 nan 8.270 nan 0.000 0.433 594 K N 0.895 121.124 120.400 -0.286 0.000 2.147 594 K HA -0.242 4.077 4.320 -0.001 0.000 0.205 594 K C 2.196 178.724 176.600 -0.121 0.000 1.049 594 K CA 1.571 57.692 56.287 -0.276 0.000 0.936 594 K CB 0.054 32.269 32.500 -0.475 0.000 0.722 594 K HN 0.189 nan 8.250 nan 0.000 0.446 595 Q N 0.494 120.243 119.800 -0.084 0.000 2.049 595 Q HA -0.110 4.229 4.340 -0.001 0.000 0.198 595 Q C 2.040 178.106 176.000 0.110 0.000 0.971 595 Q CA 1.236 57.053 55.803 0.023 0.000 0.833 595 Q CB -0.028 28.712 28.738 0.003 0.000 0.896 595 Q HN 0.357 nan 8.270 nan 0.000 0.434 596 L N 0.829 122.065 121.223 0.022 0.000 2.191 596 L HA -0.178 4.161 4.340 -0.001 0.000 0.212 596 L C 2.448 179.370 176.870 0.086 0.000 1.103 596 L CA 0.312 55.170 54.840 0.030 0.000 0.769 596 L CB -0.433 41.609 42.059 -0.028 0.000 0.908 596 L HN 0.346 nan 8.230 nan 0.000 0.438 597 L N -0.293 120.956 121.223 0.044 0.000 2.093 597 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 597 L C 2.488 179.393 176.870 0.057 0.000 1.085 597 L CA 1.703 56.561 54.840 0.031 0.000 0.755 597 L CB -0.423 41.620 42.059 -0.026 0.000 0.904 597 L HN 0.227 nan 8.230 nan 0.000 0.435 598 Q N -1.759 118.081 119.800 0.067 0.000 2.119 598 Q HA -0.192 4.148 4.340 -0.001 0.000 0.201 598 Q C 2.065 178.095 176.000 0.051 0.000 0.972 598 Q CA 1.963 57.782 55.803 0.026 0.000 0.847 598 Q CB -0.277 28.448 28.738 -0.021 0.000 0.903 598 Q HN 0.557 nan 8.270 nan 0.000 0.433 599 Y N 0.929 121.263 120.300 0.056 0.000 2.220 599 Y HA -0.156 4.394 4.550 -0.001 0.000 0.291 599 Y C 1.954 177.958 175.900 0.173 0.000 1.129 599 Y CA 1.060 59.235 58.100 0.124 0.000 1.161 599 Y CB 0.018 38.443 38.460 -0.059 0.000 0.997 599 Y HN 0.080 nan 8.280 nan 0.000 0.522 600 D N 0.021 120.566 120.400 0.242 0.000 2.144 600 D HA -0.167 4.473 4.640 -0.001 0.000 0.199 600 D C 1.517 177.902 176.300 0.142 0.000 0.984 600 D CA 1.433 55.534 54.000 0.168 0.000 0.834 600 D CB -0.403 40.462 40.800 0.109 0.000 0.955 600 D HN 0.293 nan 8.370 nan 0.000 0.465 601 D N -0.451 120.012 120.400 0.105 0.000 2.221 601 D HA -0.105 4.534 4.640 -0.001 0.000 0.204 601 D C 2.076 178.409 176.300 0.054 0.000 0.982 601 D CA 0.253 54.289 54.000 0.060 0.000 0.857 601 D CB 0.086 40.899 40.800 0.021 0.000 0.934 601 D HN 0.058 nan 8.370 nan 0.000 0.475 602 V N 0.348 120.311 119.914 0.081 0.000 2.229 602 V HA -0.207 3.912 4.120 -0.001 0.000 0.243 602 V C 2.380 178.514 176.094 0.066 0.000 1.042 602 V CA 1.246 63.558 62.300 0.021 0.000 1.000 602 V CB -0.553 31.223 31.823 -0.079 0.000 0.637 602 V HN 0.190 nan 8.190 nan 0.000 0.446 603 L N 0.166 121.473 121.223 0.140 0.000 2.131 603 L HA -0.118 4.221 4.340 -0.001 0.000 0.210 603 L C 2.575 179.567 176.870 0.204 0.000 1.092 603 L CA 1.871 56.831 54.840 0.200 0.000 0.759 603 L CB -0.690 41.479 42.059 0.184 0.000 0.903 603 L HN 0.219 nan 8.230 nan 0.000 0.435 604 R N -0.763 119.820 120.500 0.138 0.000 2.080 604 R HA -0.225 4.114 4.340 -0.001 0.000 0.236 604 R C 2.257 178.592 176.300 0.058 0.000 1.137 604 R CA 2.245 58.408 56.100 0.105 0.000 0.943 604 R CB -0.322 30.026 30.300 0.079 0.000 0.846 604 R HN 0.526 nan 8.270 nan 0.000 0.431 605 Q N -0.128 119.685 119.800 0.021 0.000 2.124 605 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 605 Q C 2.274 178.225 176.000 -0.083 0.000 0.977 605 Q CA 1.807 57.588 55.803 -0.037 0.000 0.850 605 Q CB 0.022 28.722 28.738 -0.063 0.000 0.901 605 Q HN 0.534 nan 8.270 nan 0.000 0.429 606 Q N 0.102 119.868 119.800 -0.056 0.000 2.124 606 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 606 Q C 2.105 178.100 176.000 -0.008 0.000 0.977 606 Q CA 1.059 56.823 55.803 -0.065 0.000 0.850 606 Q CB -0.174 28.691 28.738 0.212 0.000 0.901 606 Q HN 0.252 nan 8.270 nan 0.000 0.429 607 R N 1.241 121.746 120.500 0.009 0.000 2.066 607 R HA -0.153 4.186 4.340 -0.001 0.000 0.232 607 R C 1.798 177.844 176.300 -0.423 0.000 1.131 607 R CA 1.464 57.334 56.100 -0.383 0.000 0.955 607 R CB 0.059 30.306 30.300 -0.089 0.000 0.851 607 R HN 0.285 nan 8.270 nan 0.000 0.432 608 E N -0.112 119.997 120.200 -0.153 0.000 2.085 608 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 608 E C 2.031 178.606 176.600 -0.041 0.000 0.994 608 E CA 1.582 57.954 56.400 -0.046 0.000 0.801 608 E CB -0.002 29.696 29.700 -0.003 0.000 0.743 608 E HN 0.174 nan 8.360 nan 0.000 0.453 609 V N 1.665 121.536 119.914 -0.071 0.000 2.270 609 V HA -0.248 3.871 4.120 -0.001 0.000 0.245 609 V C 2.298 178.382 176.094 -0.017 0.000 1.043 609 V CA 1.251 63.535 62.300 -0.027 0.000 1.014 609 V CB -0.338 31.463 31.823 -0.036 0.000 0.645 609 V HN 0.282 nan 8.190 nan 0.000 0.447 610 I N -0.669 119.837 120.570 -0.108 0.000 2.127 610 I HA -0.255 3.915 4.170 -0.001 0.000 0.241 610 I C 2.543 178.626 176.117 -0.057 0.000 1.075 610 I CA 2.108 63.292 61.300 -0.193 0.000 1.334 610 I CB -1.106 36.518 38.000 -0.628 0.000 1.040 610 I HN 0.305 nan 8.210 nan 0.000 0.405 611 Y N 1.094 121.238 120.300 -0.259 0.000 2.224 611 Y HA -0.225 4.324 4.550 -0.001 0.000 0.289 611 Y C 2.631 178.502 175.900 -0.048 0.000 1.146 611 Y CA 1.060 59.063 58.100 -0.161 0.000 1.182 611 Y CB -0.988 37.402 38.460 -0.117 0.000 0.983 611 Y HN 0.250 nan 8.280 nan 0.000 0.524 612 K N -0.142 120.341 120.400 0.139 0.000 2.057 612 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 612 K C 1.984 178.653 176.600 0.115 0.000 1.049 612 K CA 1.384 57.739 56.287 0.114 0.000 0.931 612 K CB 0.113 32.654 32.500 0.069 0.000 0.714 612 K HN 0.195 nan 8.250 nan 0.000 0.440 613 Q N 0.358 120.194 119.800 0.061 0.000 2.046 613 Q HA -0.162 4.178 4.340 -0.001 0.000 0.200 613 Q C 2.157 178.160 176.000 0.005 0.000 0.975 613 Q CA 1.326 57.143 55.803 0.024 0.000 0.836 613 Q CB -0.328 28.405 28.738 -0.008 0.000 0.896 613 Q HN 0.356 nan 8.270 nan 0.000 0.428 614 R N -0.119 120.381 120.500 0.001 0.000 2.091 614 R HA -0.167 4.172 4.340 -0.001 0.000 0.238 614 R C 2.188 178.468 176.300 -0.034 0.000 1.136 614 R CA 1.272 57.348 56.100 -0.040 0.000 0.959 614 R CB -0.387 29.877 30.300 -0.060 0.000 0.856 614 R HN 0.184 nan 8.270 nan 0.000 0.437 615 F N 2.101 121.995 119.950 -0.093 0.000 2.126 615 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 615 F C 2.085 177.846 175.800 -0.065 0.000 1.096 615 F CA 1.641 59.589 58.000 -0.088 0.000 1.255 615 F CB -0.110 38.848 39.000 -0.070 0.000 0.997 615 F HN 0.042 nan 8.300 nan 0.000 0.479 616 E N 0.259 120.401 120.200 -0.096 0.000 2.077 616 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 616 E C 2.570 179.038 176.600 -0.220 0.000 0.989 616 E CA 1.465 57.767 56.400 -0.165 0.000 0.800 616 E CB -0.960 28.722 29.700 -0.030 0.000 0.746 616 E HN 0.354 nan 8.360 nan 0.000 0.452 617 V N 1.648 121.459 119.914 -0.172 0.000 2.287 617 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 617 V C 2.455 178.421 176.094 -0.214 0.000 1.053 617 V CA 1.509 63.710 62.300 -0.164 0.000 1.027 617 V CB -0.442 31.299 31.823 -0.137 0.000 0.646 617 V HN 0.215 nan 8.190 nan 0.000 0.447 618 I N 0.177 120.579 120.570 -0.280 0.000 2.315 618 I HA -0.199 3.970 4.170 -0.001 0.000 0.248 618 I C 1.680 177.583 176.117 -0.356 0.000 1.117 618 I CA 1.766 62.883 61.300 -0.305 0.000 1.404 618 I CB -0.214 37.599 38.000 -0.312 0.000 1.071 618 I HN 0.344 nan 8.210 nan 0.000 0.419 619 D N 0.409 120.488 120.400 -0.535 0.000 2.538 619 D HA 0.030 4.669 4.640 -0.001 0.000 0.234 619 D C 0.158 176.307 176.300 -0.251 0.000 1.191 619 D CA 0.029 53.745 54.000 -0.473 0.000 0.828 619 D CB 0.228 40.545 40.800 -0.805 0.000 0.981 619 D HN -0.009 nan 8.370 nan 0.000 0.490 620 S N -0.903 114.683 115.700 -0.190 0.000 2.513 620 S HA 0.319 4.788 4.470 -0.001 0.000 0.299 620 S C 0.725 175.277 174.600 -0.081 0.000 1.087 620 S CA -0.639 57.491 58.200 -0.116 0.000 1.012 620 S CB 1.590 64.725 63.200 -0.108 0.000 1.044 620 S HN 0.148 nan 8.310 nan 0.000 0.485 621 E N 2.003 122.173 120.200 -0.050 0.000 2.110 621 E HA 0.107 4.456 4.350 -0.001 0.000 0.193 621 E C 0.074 176.664 176.600 -0.016 0.000 0.950 621 E CA 0.045 56.430 56.400 -0.026 0.000 0.840 621 E CB 0.119 29.811 29.700 -0.013 0.000 0.809 621 E HN 0.546 nan 8.360 nan 0.000 0.465 622 N N 0.956 119.646 118.700 -0.015 0.000 2.424 622 N HA 0.098 4.837 4.740 -0.001 0.000 0.271 622 N C -0.342 175.154 175.510 -0.024 0.000 0.985 622 N CA 0.028 53.074 53.050 -0.006 0.000 0.921 622 N CB 1.701 40.192 38.487 0.006 0.000 1.149 622 N HN 0.008 nan 8.380 nan 0.000 0.492 623 L N 3.893 125.099 121.223 -0.028 0.000 2.817 623 L HA 0.336 4.675 4.340 -0.001 0.000 0.248 623 L C 2.000 178.831 176.870 -0.064 0.000 1.133 623 L CA 0.177 54.986 54.840 -0.051 0.000 0.935 623 L CB -0.169 41.852 42.059 -0.063 0.000 1.266 623 L HN 0.445 nan 8.230 nan 0.000 0.535 624 R N 0.546 121.011 120.500 -0.058 0.000 2.113 624 R HA -0.250 4.089 4.340 -0.001 0.000 0.244 624 R C 2.109 178.324 176.300 -0.142 0.000 1.142 624 R CA 2.173 58.198 56.100 -0.126 0.000 0.953 624 R CB -0.269 29.963 30.300 -0.113 0.000 0.860 624 R HN 0.528 nan 8.270 nan 0.000 0.438 625 E N -0.131 120.021 120.200 -0.080 0.000 2.049 625 E HA -0.232 4.117 4.350 -0.001 0.000 0.198 625 E C 1.912 178.469 176.600 -0.072 0.000 1.007 625 E CA 1.948 58.310 56.400 -0.063 0.000 0.809 625 E CB -0.221 29.460 29.700 -0.031 0.000 0.749 625 E HN 0.428 nan 8.360 nan 0.000 0.450 626 I N 0.640 121.169 120.570 -0.069 0.000 2.208 626 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 626 I C 2.451 178.516 176.117 -0.085 0.000 1.097 626 I CA 0.917 62.175 61.300 -0.070 0.000 1.363 626 I CB -0.259 37.698 38.000 -0.070 0.000 1.051 626 I HN 0.117 nan 8.210 nan 0.000 0.413 627 V N 0.631 120.483 119.914 -0.104 0.000 2.358 627 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 627 V C 2.340 178.368 176.094 -0.111 0.000 1.047 627 V CA 1.777 64.009 62.300 -0.113 0.000 1.035 627 V CB -0.711 31.036 31.823 -0.126 0.000 0.658 627 V HN 0.423 nan 8.190 nan 0.000 0.452 628 E N 0.549 120.663 120.200 -0.143 0.000 2.085 628 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 628 E C 2.093 178.657 176.600 -0.062 0.000 0.994 628 E CA 1.695 58.021 56.400 -0.123 0.000 0.801 628 E CB -0.267 29.344 29.700 -0.148 0.000 0.743 628 E HN 0.632 nan 8.360 nan 0.000 0.453 629 N N 0.431 119.096 118.700 -0.059 0.000 2.104 629 N HA -0.138 4.601 4.740 -0.001 0.000 0.190 629 N C 1.724 177.210 175.510 -0.040 0.000 1.024 629 N CA 1.240 54.265 53.050 -0.042 0.000 0.853 629 N CB -0.099 38.363 38.487 -0.042 0.000 1.008 629 N HN 0.144 nan 8.380 nan 0.000 0.424 630 M N -0.214 119.355 119.600 -0.052 0.000 2.213 630 M HA -0.056 4.423 4.480 -0.001 0.000 0.263 630 M C 1.621 177.909 176.300 -0.020 0.000 1.062 630 M CA 1.138 56.405 55.300 -0.055 0.000 1.105 630 M CB -0.272 32.278 32.600 -0.084 0.000 1.385 630 M HN 0.146 nan 8.290 nan 0.000 0.417 631 I N -0.429 120.145 120.570 0.007 0.000 2.233 631 I HA -0.255 3.914 4.170 -0.001 0.000 0.243 631 I C 2.526 178.688 176.117 0.074 0.000 1.093 631 I CA 0.909 62.272 61.300 0.105 0.000 1.380 631 I CB -0.551 37.519 38.000 0.117 0.000 1.067 631 I HN 0.194 nan 8.210 nan 0.000 0.413 632 K N 1.078 121.485 120.400 0.012 0.000 2.000 632 K HA -0.190 4.130 4.320 -0.001 0.000 0.218 632 K C 2.317 178.904 176.600 -0.023 0.000 1.053 632 K CA 2.129 58.406 56.287 -0.017 0.000 0.946 632 K CB -0.683 31.805 32.500 -0.020 0.000 0.723 632 K HN 0.236 nan 8.250 nan 0.000 0.446 633 S N 0.925 116.614 115.700 -0.020 0.000 2.365 633 S HA -0.183 4.286 4.470 -0.001 0.000 0.225 633 S C 2.150 176.739 174.600 -0.019 0.000 1.039 633 S CA 1.796 59.981 58.200 -0.026 0.000 1.033 633 S CB -0.422 62.757 63.200 -0.036 0.000 0.887 633 S HN 0.419 nan 8.310 nan 0.000 0.447 634 S N 1.107 116.814 115.700 0.011 0.000 2.359 634 S HA -0.102 4.367 4.470 -0.001 0.000 0.224 634 S C 1.864 176.503 174.600 0.064 0.000 1.035 634 S CA 1.268 59.502 58.200 0.056 0.000 1.018 634 S CB -0.483 62.797 63.200 0.132 0.000 0.876 634 S HN 0.363 nan 8.310 nan 0.000 0.448 635 L N 2.055 123.274 121.223 -0.007 0.000 2.046 635 L HA 0.032 4.371 4.340 -0.001 0.000 0.208 635 L C 2.275 179.069 176.870 -0.127 0.000 1.077 635 L CA 2.618 57.335 54.840 -0.204 0.000 0.747 635 L CB -1.189 40.655 42.059 -0.358 0.000 0.896 635 L HN 0.486 nan 8.230 nan 0.000 0.432 636 E N -0.524 119.627 120.200 -0.081 0.000 2.085 636 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 636 E C 2.325 178.890 176.600 -0.059 0.000 0.994 636 E CA 1.534 57.897 56.400 -0.063 0.000 0.801 636 E CB -0.103 29.570 29.700 -0.044 0.000 0.743 636 E HN 0.472 nan 8.360 nan 0.000 0.453 637 R N -0.298 120.170 120.500 -0.052 0.000 2.092 637 R HA -0.043 4.296 4.340 -0.001 0.000 0.231 637 R C 2.400 178.651 176.300 -0.081 0.000 1.119 637 R CA 0.951 57.018 56.100 -0.055 0.000 0.970 637 R CB -0.254 30.019 30.300 -0.046 0.000 0.864 637 R HN 0.221 nan 8.270 nan 0.000 0.440 638 A N 1.294 124.062 122.820 -0.088 0.000 1.902 638 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 638 A C 2.122 179.614 177.584 -0.154 0.000 1.181 638 A CA 1.165 53.118 52.037 -0.139 0.000 0.623 638 A CB -0.416 18.527 19.000 -0.094 0.000 0.818 638 A HN 0.154 nan 8.150 nan 0.000 0.443 639 I N -0.247 120.262 120.570 -0.101 0.000 2.163 639 I HA -0.250 3.919 4.170 -0.001 0.000 0.240 639 I C 2.984 179.077 176.117 -0.039 0.000 1.081 639 I CA 1.061 62.327 61.300 -0.057 0.000 1.353 639 I CB -0.460 37.506 38.000 -0.056 0.000 1.054 639 I HN 0.336 nan 8.210 nan 0.000 0.407 640 A N 0.917 123.707 122.820 -0.051 0.000 1.940 640 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 640 A C 2.536 180.102 177.584 -0.030 0.000 1.176 640 A CA 1.987 54.000 52.037 -0.040 0.000 0.631 640 A CB -0.835 18.142 19.000 -0.038 0.000 0.814 640 A HN 0.466 nan 8.150 nan 0.000 0.446 641 A N -1.741 121.041 122.820 -0.064 0.000 1.933 641 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 641 A C 1.713 179.354 177.584 0.095 0.000 1.175 641 A CA 1.282 53.276 52.037 -0.072 0.000 0.628 641 A CB -0.562 18.291 19.000 -0.246 0.000 0.814 641 A HN 0.679 nan 8.150 nan 0.000 0.444 642 Y N 0.104 120.374 120.300 -0.050 0.000 2.708 642 Y HA 0.176 4.726 4.550 -0.001 0.000 0.287 642 Y C 0.534 176.365 175.900 -0.114 0.000 1.145 642 Y CA 0.086 58.147 58.100 -0.065 0.000 1.249 642 Y CB 0.369 38.805 38.460 -0.040 0.000 1.152 642 Y HN 0.369 nan 8.280 nan 0.000 0.532 643 T N -3.165 111.397 114.554 0.014 0.000 3.839 643 T HA 0.240 4.589 4.350 -0.001 0.000 0.230 643 T C -2.896 171.716 174.700 -0.147 0.000 1.095 643 T CA -2.000 60.026 62.100 -0.123 0.000 1.470 643 T CB 0.306 69.114 68.868 -0.100 0.000 0.881 643 T HN -0.157 nan 8.240 nan 0.000 0.637 644 P HA 0.007 nan 4.420 nan 0.000 0.245 644 P C 0.758 177.975 177.300 -0.138 0.000 1.123 644 P CA 0.151 63.181 63.100 -0.117 0.000 0.853 644 P CB 0.093 31.722 31.700 -0.118 0.000 0.786 645 R N 2.906 123.358 120.500 -0.081 0.000 2.421 645 R HA -0.176 4.163 4.340 -0.001 0.000 0.208 645 R C 1.007 177.288 176.300 -0.031 0.000 1.103 645 R CA 1.240 57.307 56.100 -0.056 0.000 1.065 645 R CB -0.299 29.984 30.300 -0.028 0.000 0.839 645 R HN 0.605 nan 8.270 nan 0.000 0.480 646 E N -2.249 117.928 120.200 -0.038 0.000 2.527 646 E HA 0.046 4.395 4.350 -0.001 0.000 0.211 646 E C -0.346 176.260 176.600 0.009 0.000 1.031 646 E CA -0.494 55.907 56.400 0.002 0.000 1.654 646 E CB -0.274 29.433 29.700 0.011 0.000 2.873 646 E HN -0.132 nan 8.360 nan 0.000 1.109 647 E N 1.278 121.463 120.200 -0.025 0.000 3.025 647 E HA -0.058 4.291 4.350 -0.001 0.000 0.248 647 E C 0.147 176.770 176.600 0.039 0.000 0.938 647 E CA 0.602 56.995 56.400 -0.010 0.000 0.958 647 E CB 0.534 30.206 29.700 -0.047 0.000 0.898 647 E HN 0.346 nan 8.360 nan 0.000 0.537 648 L N 4.598 125.883 121.223 0.102 0.000 2.586 648 L HA 0.172 4.511 4.340 -0.001 0.000 0.204 648 L C -1.773 175.177 176.870 0.134 0.000 1.053 648 L CA -0.172 54.783 54.840 0.190 0.000 0.856 648 L CB -1.184 40.974 42.059 0.164 0.000 1.192 648 L HN 0.286 nan 8.230 nan 0.000 0.484 649 P HA -0.004 nan 4.420 nan 0.000 0.255 649 P C -0.189 177.146 177.300 0.059 0.000 1.173 649 P CA 0.775 63.911 63.100 0.061 0.000 0.780 649 P CB 0.086 31.812 31.700 0.044 0.000 0.758 650 E N 2.282 122.517 120.200 0.059 0.000 3.286 650 E HA -0.253 4.096 4.350 -0.001 0.000 0.292 650 E C 0.717 177.356 176.600 0.065 0.000 0.928 650 E CA 1.719 58.150 56.400 0.052 0.000 0.982 650 E CB -1.848 27.874 29.700 0.036 0.000 1.500 650 E HN 0.867 nan 8.360 nan 0.000 0.441 651 E N -2.431 117.830 120.200 0.102 0.000 2.063 651 E HA -0.002 4.347 4.350 -0.001 0.000 0.261 651 E C -0.220 176.531 176.600 0.252 0.000 1.078 651 E CA 0.037 56.512 56.400 0.125 0.000 1.828 651 E CB -0.329 29.409 29.700 0.064 0.000 3.457 651 E HN 0.135 nan 8.360 nan 0.000 1.008 652 W N 4.262 125.557 121.300 -0.010 0.000 3.195 652 W HA -0.199 4.460 4.660 -0.002 0.000 0.448 652 W C -1.056 175.452 176.519 -0.019 0.000 1.818 652 W CA 1.268 58.604 57.345 -0.015 0.000 0.487 652 W CB -1.101 28.346 29.460 -0.023 0.000 2.865 652 W HN 0.370 nan 8.180 nan 0.000 0.474 653 K N 2.129 122.296 120.400 -0.389 0.000 4.868 653 K HA -0.210 4.109 4.320 -0.001 0.000 0.314 653 K C -0.117 176.404 176.600 -0.133 0.000 0.932 653 K CA 0.696 56.756 56.287 -0.378 0.000 0.998 653 K CB -0.979 31.071 32.500 -0.750 0.000 1.704 653 K HN 0.404 nan 8.250 nan 0.000 0.426 654 L N 1.761 122.908 121.223 -0.127 0.000 2.436 654 L HA 0.202 4.541 4.340 -0.001 0.000 0.265 654 L C -0.111 176.637 176.870 -0.204 0.000 1.168 654 L CA 0.475 55.247 54.840 -0.112 0.000 0.815 654 L CB 0.901 42.876 42.059 -0.140 0.000 1.109 654 L HN 0.249 nan 8.230 nan 0.000 0.462 655 D N 2.591 122.911 120.400 -0.133 0.000 2.408 655 D HA 0.614 5.253 4.640 -0.001 0.000 0.243 655 D C 0.406 176.617 176.300 -0.148 0.000 1.075 655 D CA 0.242 54.164 54.000 -0.131 0.000 0.832 655 D CB 1.823 42.635 40.800 0.021 0.000 1.162 655 D HN 0.698 nan 8.370 nan 0.000 0.515 656 G N 1.420 110.092 108.800 -0.212 0.000 3.040 656 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.214 656 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.214 656 G C 1.184 176.234 174.900 0.250 0.000 1.093 656 G CA -0.224 44.859 45.100 -0.028 0.000 0.931 656 G HN 0.491 nan 8.290 nan 0.000 0.632 657 L N 1.290 122.772 121.223 0.431 0.000 2.263 657 L HA -0.090 4.250 4.340 -0.001 0.000 0.216 657 L C 2.521 179.505 176.870 0.189 0.000 1.111 657 L CA 1.016 56.104 54.840 0.414 0.000 0.773 657 L CB -0.120 42.172 42.059 0.390 0.000 0.906 657 L HN 0.076 nan 8.230 nan 0.000 0.439 658 V N 0.459 120.457 119.914 0.141 0.000 2.214 658 V HA -0.370 3.750 4.120 -0.001 0.000 0.247 658 V C 2.129 178.278 176.094 0.092 0.000 1.051 658 V CA 2.435 64.791 62.300 0.093 0.000 1.003 658 V CB -0.754 31.109 31.823 0.067 0.000 0.635 658 V HN 0.549 nan 8.190 nan 0.000 0.447 659 D N -0.299 120.156 120.400 0.092 0.000 2.218 659 D HA -0.124 4.515 4.640 -0.001 0.000 0.204 659 D C 1.938 178.298 176.300 0.101 0.000 0.976 659 D CA 0.902 54.953 54.000 0.084 0.000 0.853 659 D CB -0.129 40.714 40.800 0.072 0.000 0.939 659 D HN 0.338 nan 8.370 nan 0.000 0.481 660 L N 0.774 122.073 121.223 0.127 0.000 2.201 660 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 660 L C 1.852 178.812 176.870 0.150 0.000 1.105 660 L CA 1.057 55.972 54.840 0.125 0.000 0.775 660 L CB -0.079 42.052 42.059 0.120 0.000 0.913 660 L HN -0.079 nan 8.230 nan 0.000 0.440 661 I N -0.879 119.778 120.570 0.145 0.000 2.585 661 I HA -0.054 4.115 4.170 -0.001 0.000 0.254 661 I C 1.733 177.958 176.117 0.179 0.000 1.129 661 I CA 0.581 61.992 61.300 0.185 0.000 1.455 661 I CB -1.257 36.785 38.000 0.070 0.000 1.111 661 I HN 0.303 nan 8.210 nan 0.000 0.433 662 N N 0.335 119.105 118.700 0.117 0.000 2.512 662 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 662 N C 1.703 177.264 175.510 0.085 0.000 1.073 662 N CA 1.085 54.190 53.050 0.092 0.000 0.911 662 N CB 0.107 38.634 38.487 0.067 0.000 0.964 662 N HN 0.300 nan 8.380 nan 0.000 0.447 663 T N -1.358 113.251 114.554 0.092 0.000 3.001 663 T HA 0.138 4.487 4.350 -0.001 0.000 0.251 663 T C 1.361 176.090 174.700 0.049 0.000 1.040 663 T CA 0.522 62.660 62.100 0.064 0.000 0.985 663 T CB 0.283 69.185 68.868 0.057 0.000 1.011 663 T HN 0.086 nan 8.240 nan 0.000 0.509 664 T N -0.391 114.209 114.554 0.076 0.000 3.056 664 T HA 0.264 4.613 4.350 -0.001 0.000 0.243 664 T C 0.769 175.340 174.700 -0.215 0.000 0.995 664 T CA 0.233 62.289 62.100 -0.072 0.000 1.091 664 T CB 0.093 68.902 68.868 -0.098 0.000 0.990 664 T HN 0.322 nan 8.240 nan 0.000 0.464 665 Y N 0.575 120.892 120.300 0.028 0.000 2.583 665 Y HA 0.530 5.079 4.550 -0.002 0.000 0.270 665 Y C 0.896 176.820 175.900 0.039 0.000 1.113 665 Y CA -0.613 57.507 58.100 0.033 0.000 1.307 665 Y CB -0.218 38.255 38.460 0.023 0.000 1.369 665 Y HN -0.016 nan 8.280 nan 0.000 0.506 666 L N 0.922 122.285 121.223 0.234 0.000 2.454 666 L HA 0.254 4.593 4.340 -0.001 0.000 0.256 666 L C -0.467 176.459 176.870 0.094 0.000 1.136 666 L CA -0.763 54.157 54.840 0.134 0.000 0.804 666 L CB 0.418 42.541 42.059 0.106 0.000 1.181 666 L HN 0.119 nan 8.230 nan 0.000 0.469 667 D N -0.401 120.039 120.400 0.065 0.000 2.371 667 D HA 0.120 4.760 4.640 -0.001 0.000 0.242 667 D C -0.187 176.140 176.300 0.046 0.000 1.218 667 D CA -0.338 53.688 54.000 0.044 0.000 0.945 667 D CB 0.387 41.205 40.800 0.031 0.000 1.137 667 D HN 0.328 nan 8.370 nan 0.000 0.464 668 E N 0.088 120.309 120.200 0.035 0.000 2.415 668 E HA 0.308 4.658 4.350 -0.001 0.000 0.263 668 E C 0.470 177.089 176.600 0.032 0.000 0.995 668 E CA 0.311 56.732 56.400 0.035 0.000 0.915 668 E CB 0.015 29.730 29.700 0.027 0.000 0.951 668 E HN 0.610 nan 8.360 nan 0.000 0.449 669 G N 3.432 112.253 108.800 0.034 0.000 2.359 669 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.298 669 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.298 669 G C 0.553 175.471 174.900 0.030 0.000 1.030 669 G CA 0.543 45.661 45.100 0.029 0.000 1.149 669 G HN 0.776 nan 8.290 nan 0.000 0.512 670 A N -0.464 122.377 122.820 0.036 0.000 2.167 670 A HA 0.762 5.081 4.320 -0.001 0.000 0.208 670 A C 0.948 178.551 177.584 0.033 0.000 1.198 670 A CA 1.213 53.271 52.037 0.036 0.000 0.863 670 A CB 0.564 19.590 19.000 0.044 0.000 0.904 670 A HN 0.879 nan 8.150 nan 0.000 0.484 671 L N -2.636 118.607 121.223 0.034 0.000 2.600 671 L HA 0.523 4.862 4.340 -0.001 0.000 0.257 671 L C 0.340 177.228 176.870 0.031 0.000 1.048 671 L CA -0.492 54.366 54.840 0.031 0.000 0.869 671 L CB 1.965 44.043 42.059 0.033 0.000 1.482 671 L HN 0.172 nan 8.230 nan 0.000 0.408 672 E N 0.519 120.737 120.200 0.029 0.000 1.813 672 E HA -0.094 4.255 4.350 -0.001 0.000 0.256 672 E C 0.425 177.038 176.600 0.021 0.000 1.062 672 E CA 0.565 56.981 56.400 0.027 0.000 1.754 672 E CB -0.147 29.562 29.700 0.016 0.000 3.730 672 E HN 0.591 nan 8.360 nan 0.000 0.961 673 K N 1.408 121.812 120.400 0.007 0.000 2.487 673 K HA 0.228 4.547 4.320 -0.001 0.000 0.192 673 K C 0.093 176.705 176.600 0.021 0.000 1.027 673 K CA 0.234 56.519 56.287 -0.003 0.000 1.054 673 K CB 0.032 32.522 32.500 -0.016 0.000 0.824 673 K HN -0.058 nan 8.250 nan 0.000 0.510 674 S N 3.339 119.058 115.700 0.031 0.000 2.400 674 S HA 0.102 4.571 4.470 -0.001 0.000 0.295 674 S C -0.404 174.227 174.600 0.051 0.000 1.113 674 S CA -0.470 57.752 58.200 0.036 0.000 1.064 674 S CB 0.442 63.660 63.200 0.030 0.000 0.990 674 S HN 0.261 nan 8.310 nan 0.000 0.502 675 D N 1.316 121.752 120.400 0.060 0.000 2.913 675 D HA -0.200 4.439 4.640 -0.001 0.000 0.228 675 D C -0.314 176.042 176.300 0.094 0.000 1.180 675 D CA 1.059 55.103 54.000 0.073 0.000 0.761 675 D CB -0.842 39.989 40.800 0.051 0.000 1.085 675 D HN 0.525 nan 8.370 nan 0.000 0.420 676 I N 0.374 121.015 120.570 0.118 0.000 2.405 676 I HA 0.399 4.569 4.170 -0.001 0.000 0.280 676 I C -0.516 175.770 176.117 0.282 0.000 1.027 676 I CA -0.716 60.672 61.300 0.147 0.000 1.161 676 I CB 0.851 38.915 38.000 0.107 0.000 1.300 676 I HN -0.144 nan 8.210 nan 0.000 0.463 677 F N 4.483 124.471 119.950 0.064 0.000 2.669 677 F HA 0.335 4.861 4.527 -0.001 0.000 0.300 677 F C 0.575 176.447 175.800 0.121 0.000 0.937 677 F CA -0.079 57.975 58.000 0.090 0.000 1.096 677 F CB 0.325 39.365 39.000 0.067 0.000 1.384 677 F HN 0.552 nan 8.300 nan 0.000 0.670 678 G N 3.649 112.266 108.800 -0.305 0.000 2.238 678 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.270 678 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.270 678 G C 0.698 175.614 174.900 0.028 0.000 0.977 678 G CA 0.845 45.845 45.100 -0.166 0.000 0.639 678 G HN 0.614 nan 8.290 nan 0.000 0.544 679 K N 0.518 120.944 120.400 0.043 0.000 2.159 679 K HA 0.305 4.624 4.320 -0.001 0.000 0.242 679 K C 0.644 177.277 176.600 0.055 0.000 1.043 679 K CA 0.070 56.389 56.287 0.053 0.000 0.856 679 K CB 0.240 32.775 32.500 0.059 0.000 1.072 679 K HN 0.314 nan 8.250 nan 0.000 0.514 680 E N 0.722 120.945 120.200 0.040 0.000 2.242 680 E HA 0.174 4.523 4.350 -0.001 0.000 0.275 680 E C -1.732 174.874 176.600 0.010 0.000 1.002 680 E CA -2.130 54.288 56.400 0.030 0.000 0.841 680 E CB 0.977 30.694 29.700 0.028 0.000 1.109 680 E HN 0.168 nan 8.360 nan 0.000 0.394 681 P HA -0.206 nan 4.420 nan 0.000 0.216 681 P C 1.049 178.343 177.300 -0.011 0.000 1.154 681 P CA 1.295 64.385 63.100 -0.017 0.000 0.865 681 P CB 0.314 31.998 31.700 -0.027 0.000 0.789 682 D N -0.311 120.087 120.400 -0.004 0.000 2.149 682 D HA -0.200 4.439 4.640 -0.001 0.000 0.198 682 D C 1.567 177.867 176.300 -0.000 0.000 0.990 682 D CA 1.283 55.282 54.000 -0.003 0.000 0.839 682 D CB 0.025 40.826 40.800 0.002 0.000 0.948 682 D HN 0.275 nan 8.370 nan 0.000 0.460 683 E N -0.159 120.045 120.200 0.006 0.000 2.021 683 E HA -0.086 4.264 4.350 -0.001 0.000 0.189 683 E C 2.495 179.099 176.600 0.008 0.000 0.980 683 E CA 0.563 56.970 56.400 0.011 0.000 0.803 683 E CB -0.203 29.509 29.700 0.020 0.000 0.766 683 E HN 0.315 nan 8.360 nan 0.000 0.449 684 M N 1.188 120.793 119.600 0.008 0.000 2.255 684 M HA -0.180 4.300 4.480 -0.001 0.000 0.259 684 M C 2.417 178.708 176.300 -0.015 0.000 1.071 684 M CA 1.018 56.321 55.300 0.005 0.000 1.074 684 M CB -0.332 32.272 32.600 0.006 0.000 1.384 684 M HN 0.177 nan 8.290 nan 0.000 0.415 685 L N 0.397 121.607 121.223 -0.022 0.000 2.023 685 L HA -0.153 4.186 4.340 -0.001 0.000 0.205 685 L C 2.095 178.948 176.870 -0.030 0.000 1.073 685 L CA 2.141 56.958 54.840 -0.037 0.000 0.745 685 L CB -0.771 41.268 42.059 -0.034 0.000 0.900 685 L HN 0.192 nan 8.230 nan 0.000 0.435 686 E N 0.133 120.325 120.200 -0.013 0.000 2.106 686 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 686 E C 2.302 178.902 176.600 0.000 0.000 0.984 686 E CA 1.239 57.636 56.400 -0.004 0.000 0.806 686 E CB -0.310 29.392 29.700 0.003 0.000 0.750 686 E HN 0.546 nan 8.360 nan 0.000 0.458 687 L N -0.117 121.107 121.223 0.002 0.000 1.994 687 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 687 L C 2.395 179.266 176.870 0.003 0.000 1.071 687 L CA 1.236 56.081 54.840 0.008 0.000 0.745 687 L CB -0.491 41.577 42.059 0.015 0.000 0.892 687 L HN 0.159 nan 8.230 nan 0.000 0.431 688 I N -1.246 119.316 120.570 -0.014 0.000 2.394 688 I HA -0.259 3.910 4.170 -0.001 0.000 0.251 688 I C 2.608 178.708 176.117 -0.028 0.000 1.136 688 I CA 0.827 62.109 61.300 -0.029 0.000 1.425 688 I CB -0.229 37.727 38.000 -0.072 0.000 1.079 688 I HN 0.320 nan 8.210 nan 0.000 0.425 689 M N 0.277 119.861 119.600 -0.026 0.000 2.132 689 M HA -0.184 4.295 4.480 -0.001 0.000 0.263 689 M C 1.870 178.189 176.300 0.032 0.000 1.065 689 M CA 1.756 57.053 55.300 -0.005 0.000 1.122 689 M CB -0.945 31.651 32.600 -0.007 0.000 1.365 689 M HN 0.235 nan 8.290 nan 0.000 0.411 690 D N -0.101 120.316 120.400 0.029 0.000 2.104 690 D HA -0.185 4.454 4.640 -0.001 0.000 0.194 690 D C 1.978 178.307 176.300 0.048 0.000 0.994 690 D CA 1.094 55.118 54.000 0.040 0.000 0.830 690 D CB -0.243 40.574 40.800 0.028 0.000 0.959 690 D HN 0.266 nan 8.370 nan 0.000 0.452 691 R N 0.767 121.290 120.500 0.040 0.000 2.096 691 R HA -0.123 4.216 4.340 -0.001 0.000 0.240 691 R C 2.375 178.718 176.300 0.071 0.000 1.139 691 R CA 0.546 56.674 56.100 0.046 0.000 0.952 691 R CB -1.054 29.268 30.300 0.037 0.000 0.854 691 R HN 0.307 nan 8.270 nan 0.000 0.436 692 I N 1.236 121.855 120.570 0.082 0.000 2.208 692 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 692 I C 2.427 178.660 176.117 0.193 0.000 1.097 692 I CA 1.053 62.430 61.300 0.129 0.000 1.363 692 I CB -0.856 37.212 38.000 0.113 0.000 1.051 692 I HN -0.003 nan 8.210 nan 0.000 0.413 693 I N 0.880 121.565 120.570 0.191 0.000 2.076 693 I HA -0.265 3.904 4.170 -0.001 0.000 0.237 693 I C 2.615 178.802 176.117 0.116 0.000 1.059 693 I CA 1.702 63.181 61.300 0.298 0.000 1.317 693 I CB -1.871 36.249 38.000 0.201 0.000 1.037 693 I HN 0.203 nan 8.210 nan 0.000 0.398 694 T N 0.961 115.536 114.554 0.035 0.000 2.699 694 T HA -0.232 4.117 4.350 -0.001 0.000 0.268 694 T C 1.892 176.586 174.700 -0.010 0.000 1.036 694 T CA 1.955 64.036 62.100 -0.031 0.000 1.147 694 T CB -0.260 68.606 68.868 -0.004 0.000 0.862 694 T HN 0.137 nan 8.240 nan 0.000 0.446 695 K N 0.989 121.427 120.400 0.063 0.000 2.152 695 K HA -0.154 4.165 4.320 -0.001 0.000 0.206 695 K C 1.976 178.655 176.600 0.133 0.000 1.048 695 K CA 1.378 57.719 56.287 0.091 0.000 0.933 695 K CB -0.580 31.986 32.500 0.111 0.000 0.721 695 K HN 0.625 nan 8.250 nan 0.000 0.447 696 Y N 0.115 120.452 120.300 0.063 0.000 2.231 696 Y HA 0.117 4.666 4.550 -0.001 0.000 0.294 696 Y C 1.475 177.415 175.900 0.066 0.000 1.120 696 Y CA 1.218 59.358 58.100 0.068 0.000 1.141 696 Y CB -0.775 37.726 38.460 0.069 0.000 1.022 696 Y HN 0.052 nan 8.280 nan 0.000 0.523 697 N N 1.346 119.641 118.700 -0.676 0.000 2.104 697 N HA -0.240 4.499 4.740 -0.001 0.000 0.190 697 N C 1.796 177.192 175.510 -0.189 0.000 1.024 697 N CA 1.689 54.365 53.050 -0.624 0.000 0.853 697 N CB -0.467 37.733 38.487 -0.479 0.000 1.008 697 N HN 0.716 nan 8.380 nan 0.000 0.424 698 E N 1.668 121.825 120.200 -0.072 0.000 2.002 698 E HA -0.245 4.104 4.350 -0.001 0.000 0.205 698 E C 1.893 178.587 176.600 0.158 0.000 1.020 698 E CA 1.399 57.827 56.400 0.045 0.000 0.856 698 E CB -0.149 29.601 29.700 0.084 0.000 0.788 698 E HN 0.177 nan 8.360 nan 0.000 0.477 699 K N 0.723 121.236 120.400 0.188 0.000 2.173 699 K HA -0.283 4.036 4.320 -0.001 0.000 0.207 699 K C 2.071 178.801 176.600 0.216 0.000 1.046 699 K CA 1.979 58.397 56.287 0.219 0.000 0.929 699 K CB -0.173 32.344 32.500 0.029 0.000 0.720 699 K HN 0.287 nan 8.250 nan 0.000 0.453 700 E N 0.676 120.966 120.200 0.151 0.000 1.987 700 E HA -0.258 4.091 4.350 -0.001 0.000 0.200 700 E C 1.972 178.623 176.600 0.086 0.000 0.990 700 E CA 1.517 57.998 56.400 0.134 0.000 0.859 700 E CB -0.243 29.540 29.700 0.138 0.000 0.805 700 E HN 0.385 nan 8.360 nan 0.000 0.499 701 E N 0.025 120.242 120.200 0.028 0.000 2.097 701 E HA -0.324 4.025 4.350 -0.001 0.000 0.196 701 E C 2.267 178.844 176.600 -0.037 0.000 1.000 701 E CA 1.752 58.148 56.400 -0.007 0.000 0.804 701 E CB -0.096 29.582 29.700 -0.037 0.000 0.740 701 E HN 0.356 nan 8.360 nan 0.000 0.454 702 Q N -0.619 119.151 119.800 -0.050 0.000 2.002 702 Q HA -0.127 4.212 4.340 -0.001 0.000 0.204 702 Q C -0.241 175.541 176.000 -0.364 0.000 0.988 702 Q CA 1.363 57.023 55.803 -0.239 0.000 0.843 702 Q CB -0.000 28.564 28.738 -0.290 0.000 0.908 702 Q HN 0.157 nan 8.270 nan 0.000 0.420 703 F N 0.514 120.434 119.950 -0.050 0.000 2.334 703 F HA 0.523 5.049 4.527 -0.001 0.000 0.367 703 F C 0.533 176.293 175.800 -0.066 0.000 1.115 703 F CA 0.066 58.027 58.000 -0.064 0.000 1.116 703 F CB 1.254 40.199 39.000 -0.091 0.000 1.230 703 F HN 0.293 nan 8.300 nan 0.000 0.484 704 G N 3.142 111.985 108.800 0.072 0.000 2.764 704 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.686 704 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.686 704 G C 0.357 175.278 174.900 0.036 0.000 1.258 704 G CA -0.635 44.491 45.100 0.044 0.000 0.846 704 G HN 0.508 nan 8.290 nan 0.000 0.596 705 K N 1.728 122.145 120.400 0.029 0.000 2.107 705 K HA 0.132 4.451 4.320 -0.001 0.000 0.211 705 K C 1.783 178.410 176.600 0.045 0.000 1.024 705 K CA 1.563 57.867 56.287 0.028 0.000 0.953 705 K CB -0.196 32.314 32.500 0.016 0.000 0.831 705 K HN 0.561 nan 8.250 nan 0.000 0.454 706 E N 1.482 121.709 120.200 0.044 0.000 2.474 706 E HA 0.068 4.417 4.350 -0.001 0.000 0.194 706 E C 1.880 178.521 176.600 0.069 0.000 1.041 706 E CA 0.056 56.488 56.400 0.054 0.000 0.874 706 E CB 0.231 29.958 29.700 0.044 0.000 0.914 706 E HN 0.298 nan 8.360 nan 0.000 0.498 707 Q N -0.045 119.796 119.800 0.067 0.000 2.226 707 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 707 Q C 1.824 177.900 176.000 0.126 0.000 0.975 707 Q CA 1.071 56.923 55.803 0.082 0.000 0.866 707 Q CB -0.127 28.642 28.738 0.051 0.000 0.915 707 Q HN 0.263 nan 8.270 nan 0.000 0.440 708 M N 0.365 120.037 119.600 0.120 0.000 2.099 708 M HA -0.117 4.362 4.480 -0.001 0.000 0.262 708 M C 1.694 178.110 176.300 0.194 0.000 1.067 708 M CA 1.591 56.998 55.300 0.179 0.000 1.124 708 M CB 0.051 32.747 32.600 0.160 0.000 1.353 708 M HN -0.077 nan 8.290 nan 0.000 0.410 709 R N 0.182 120.755 120.500 0.123 0.000 2.120 709 R HA -0.062 4.277 4.340 -0.001 0.000 0.234 709 R C 1.857 178.196 176.300 0.065 0.000 1.123 709 R CA 1.031 57.179 56.100 0.079 0.000 0.975 709 R CB -0.805 29.527 30.300 0.054 0.000 0.866 709 R HN 0.470 nan 8.270 nan 0.000 0.446 710 E N -0.678 119.578 120.200 0.094 0.000 2.400 710 E HA -0.026 4.323 4.350 -0.001 0.000 0.195 710 E C 1.520 178.183 176.600 0.105 0.000 1.012 710 E CA 0.097 56.540 56.400 0.071 0.000 0.875 710 E CB -0.156 29.594 29.700 0.084 0.000 0.859 710 E HN 0.159 nan 8.360 nan 0.000 0.498 711 F N 2.351 122.302 119.950 0.001 0.000 2.146 711 F HA -0.085 4.442 4.527 -0.001 0.000 0.298 711 F C 1.918 177.712 175.800 -0.009 0.000 1.096 711 F CA 1.399 59.399 58.000 0.000 0.000 1.275 711 F CB 0.134 39.142 39.000 0.014 0.000 1.008 711 F HN -0.071 nan 8.300 nan 0.000 0.480 712 E N 0.118 120.294 120.200 -0.039 0.000 2.015 712 E HA -0.226 4.123 4.350 -0.001 0.000 0.191 712 E C 2.072 178.579 176.600 -0.156 0.000 0.991 712 E CA 1.316 57.628 56.400 -0.147 0.000 0.802 712 E CB -0.264 29.407 29.700 -0.048 0.000 0.759 712 E HN 0.082 nan 8.360 nan 0.000 0.447 713 K N 0.786 121.126 120.400 -0.101 0.000 2.097 713 K HA -0.234 4.085 4.320 -0.001 0.000 0.214 713 K C 1.832 178.342 176.600 -0.150 0.000 1.052 713 K CA 1.716 57.930 56.287 -0.121 0.000 0.932 713 K CB -0.679 31.757 32.500 -0.108 0.000 0.716 713 K HN 0.024 nan 8.250 nan 0.000 0.455 714 V N 0.611 120.435 119.914 -0.149 0.000 2.379 714 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 714 V C 2.244 178.246 176.094 -0.153 0.000 1.044 714 V CA 1.434 63.646 62.300 -0.147 0.000 1.036 714 V CB -0.404 31.352 31.823 -0.111 0.000 0.664 714 V HN 0.287 nan 8.190 nan 0.000 0.453 715 I N 0.076 120.514 120.570 -0.220 0.000 2.286 715 I HA -0.150 4.020 4.170 -0.001 0.000 0.248 715 I C 2.384 178.417 176.117 -0.141 0.000 1.115 715 I CA 1.479 62.665 61.300 -0.189 0.000 1.392 715 I CB -0.975 36.833 38.000 -0.322 0.000 1.065 715 I HN 0.185 nan 8.210 nan 0.000 0.418 716 V N 0.627 120.449 119.914 -0.155 0.000 2.407 716 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 716 V C 2.546 178.570 176.094 -0.118 0.000 1.041 716 V CA 1.085 63.302 62.300 -0.138 0.000 1.040 716 V CB -0.447 31.295 31.823 -0.135 0.000 0.671 716 V HN 0.283 nan 8.190 nan 0.000 0.455 717 L N 0.632 121.785 121.223 -0.118 0.000 2.083 717 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 717 L C 2.906 179.735 176.870 -0.068 0.000 1.083 717 L CA 2.022 56.801 54.840 -0.102 0.000 0.752 717 L CB -0.651 41.332 42.059 -0.125 0.000 0.899 717 L HN 0.452 nan 8.230 nan 0.000 0.433 718 R N 0.492 120.955 120.500 -0.061 0.000 2.092 718 R HA -0.086 4.253 4.340 -0.001 0.000 0.231 718 R C 2.226 178.513 176.300 -0.021 0.000 1.119 718 R CA 1.245 57.331 56.100 -0.023 0.000 0.970 718 R CB -0.664 29.636 30.300 0.001 0.000 0.864 718 R HN 0.212 nan 8.270 nan 0.000 0.440 719 A N 1.523 124.306 122.820 -0.061 0.000 1.898 719 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 719 A C 2.406 179.946 177.584 -0.072 0.000 1.181 719 A CA 1.318 53.295 52.037 -0.099 0.000 0.620 719 A CB -0.432 18.468 19.000 -0.167 0.000 0.819 719 A HN 0.158 nan 8.150 nan 0.000 0.442 720 V N 0.867 120.743 119.914 -0.063 0.000 2.237 720 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 720 V C 2.209 178.342 176.094 0.064 0.000 1.046 720 V CA 2.324 64.603 62.300 -0.034 0.000 1.007 720 V CB -0.901 30.888 31.823 -0.057 0.000 0.638 720 V HN 0.501 nan 8.190 nan 0.000 0.445 721 D N -0.185 120.254 120.400 0.065 0.000 2.123 721 D HA -0.166 4.474 4.640 -0.001 0.000 0.196 721 D C 2.381 178.772 176.300 0.152 0.000 0.992 721 D CA 1.846 55.932 54.000 0.142 0.000 0.833 721 D CB -0.364 40.485 40.800 0.081 0.000 0.954 721 D HN 0.434 nan 8.370 nan 0.000 0.455 722 S N -0.221 115.526 115.700 0.078 0.000 2.355 722 S HA -0.119 4.351 4.470 -0.001 0.000 0.222 722 S C 1.740 176.375 174.600 0.058 0.000 1.031 722 S CA 0.903 59.137 58.200 0.057 0.000 0.993 722 S CB 0.079 63.294 63.200 0.024 0.000 0.859 722 S HN -0.029 nan 8.310 nan 0.000 0.453 723 K N 0.603 121.028 120.400 0.042 0.000 2.155 723 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 723 K C 1.805 178.490 176.600 0.143 0.000 1.052 723 K CA 0.707 57.010 56.287 0.026 0.000 0.948 723 K CB -0.775 31.683 32.500 -0.069 0.000 0.728 723 K HN 0.685 nan 8.250 nan 0.000 0.448 724 W N 1.395 122.689 121.300 -0.011 0.000 2.388 724 W HA -0.150 4.509 4.660 -0.002 0.000 0.294 724 W C 1.833 178.414 176.519 0.103 0.000 1.212 724 W CA 0.743 58.121 57.345 0.055 0.000 1.271 724 W CB -0.028 29.480 29.460 0.079 0.000 1.126 724 W HN 0.051 nan 8.180 nan 0.000 0.535 725 M N 0.931 120.571 119.600 0.067 0.000 2.086 725 M HA -0.220 4.259 4.480 -0.001 0.000 0.261 725 M C 1.420 177.670 176.300 -0.085 0.000 1.067 725 M CA 2.293 57.559 55.300 -0.057 0.000 1.116 725 M CB -0.605 32.011 32.600 0.026 0.000 1.348 725 M HN -0.207 nan 8.290 nan 0.000 0.407 726 D N -0.955 119.435 120.400 -0.016 0.000 2.117 726 D HA -0.209 4.430 4.640 -0.001 0.000 0.198 726 D C 1.848 178.131 176.300 -0.029 0.000 0.982 726 D CA 1.474 55.468 54.000 -0.011 0.000 0.828 726 D CB -0.733 40.080 40.800 0.022 0.000 0.967 726 D HN 0.567 nan 8.370 nan 0.000 0.464 727 H N 0.819 119.814 119.070 -0.125 0.000 2.352 727 H HA -0.029 4.526 4.556 -0.002 0.000 0.299 727 H C 2.165 177.332 175.328 -0.268 0.000 1.097 727 H CA 1.205 57.165 56.048 -0.147 0.000 1.311 727 H CB -0.338 29.374 29.762 -0.084 0.000 1.377 727 H HN 0.072 nan 8.280 nan 0.000 0.504 728 I N -0.271 120.015 120.570 -0.473 0.000 2.226 728 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 728 I C 2.179 178.122 176.117 -0.289 0.000 1.100 728 I CA 1.821 62.824 61.300 -0.495 0.000 1.374 728 I CB -0.213 37.464 38.000 -0.538 0.000 1.057 728 I HN 0.349 nan 8.210 nan 0.000 0.413 729 D N 0.727 121.001 120.400 -0.209 0.000 2.097 729 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 729 D C 2.170 178.383 176.300 -0.146 0.000 0.984 729 D CA 1.473 55.390 54.000 -0.138 0.000 0.826 729 D CB 0.076 40.828 40.800 -0.081 0.000 0.973 729 D HN 0.281 nan 8.370 nan 0.000 0.460 730 A N 0.160 122.890 122.820 -0.149 0.000 1.898 730 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 730 A C 2.175 179.667 177.584 -0.154 0.000 1.181 730 A CA 1.339 53.299 52.037 -0.129 0.000 0.620 730 A CB -0.514 18.432 19.000 -0.089 0.000 0.819 730 A HN 0.231 nan 8.150 nan 0.000 0.442 731 M N -0.203 119.243 119.600 -0.255 0.000 2.213 731 M HA -0.132 4.347 4.480 -0.001 0.000 0.263 731 M C 1.714 177.992 176.300 -0.036 0.000 1.062 731 M CA 1.811 57.007 55.300 -0.173 0.000 1.105 731 M CB -1.309 31.106 32.600 -0.308 0.000 1.385 731 M HN 0.569 nan 8.290 nan 0.000 0.417 732 D N -0.004 120.334 120.400 -0.102 0.000 2.097 732 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 732 D C 1.955 178.188 176.300 -0.112 0.000 0.984 732 D CA 1.436 55.384 54.000 -0.086 0.000 0.826 732 D CB 0.036 40.771 40.800 -0.107 0.000 0.973 732 D HN 0.413 nan 8.370 nan 0.000 0.460 733 Q N -0.616 119.083 119.800 -0.168 0.000 2.084 733 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 733 Q C 2.190 178.123 176.000 -0.111 0.000 0.978 733 Q CA 0.931 56.580 55.803 -0.258 0.000 0.844 733 Q CB -0.168 28.364 28.738 -0.343 0.000 0.898 733 Q HN 0.292 nan 8.270 nan 0.000 0.426 734 L N 1.023 122.231 121.223 -0.025 0.000 2.012 734 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 734 L C 2.351 179.284 176.870 0.104 0.000 1.073 734 L CA 1.879 56.762 54.840 0.070 0.000 0.748 734 L CB -0.407 41.728 42.059 0.128 0.000 0.891 734 L HN 0.053 nan 8.230 nan 0.000 0.431 735 R N -1.017 119.534 120.500 0.084 0.000 2.073 735 R HA -0.187 4.152 4.340 -0.001 0.000 0.234 735 R C 2.320 178.548 176.300 -0.120 0.000 1.134 735 R CA 1.876 57.886 56.100 -0.149 0.000 0.952 735 R CB -0.243 29.907 30.300 -0.250 0.000 0.850 735 R HN 0.548 nan 8.270 nan 0.000 0.433 736 Q N -1.121 118.633 119.800 -0.077 0.000 2.084 736 Q HA -0.087 4.252 4.340 -0.001 0.000 0.202 736 Q C 1.497 177.533 176.000 0.060 0.000 0.978 736 Q CA 1.483 57.264 55.803 -0.037 0.000 0.844 736 Q CB 0.002 28.711 28.738 -0.048 0.000 0.898 736 Q HN 0.503 nan 8.270 nan 0.000 0.426 737 G N -0.377 108.449 108.800 0.044 0.000 3.523 737 G HA2 0.052 4.011 3.960 -0.001 0.000 0.270 737 G HA3 0.052 4.011 3.960 -0.001 0.000 0.270 737 G C 0.843 175.714 174.900 -0.047 0.000 1.134 737 G CA -0.305 44.813 45.100 0.029 0.000 0.825 737 G HN 0.168 nan 8.290 nan 0.000 0.534 738 I N 1.640 122.231 120.570 0.036 0.000 2.423 738 I HA -0.188 3.981 4.170 -0.001 0.000 0.254 738 I C 2.615 178.730 176.117 -0.004 0.000 1.151 738 I CA 1.261 62.585 61.300 0.039 0.000 1.421 738 I CB -0.089 37.972 38.000 0.102 0.000 1.079 738 I HN 0.533 nan 8.210 nan 0.000 0.431 739 H N -0.239 118.820 119.070 -0.018 0.000 2.521 739 H HA -0.034 4.521 4.556 -0.002 0.000 0.286 739 H C 1.831 177.131 175.328 -0.047 0.000 1.034 739 H CA 1.099 57.130 56.048 -0.028 0.000 1.278 739 H CB -0.717 29.030 29.762 -0.024 0.000 1.386 739 H HN 0.387 nan 8.280 nan 0.000 0.567 740 L N 0.175 121.034 121.223 -0.607 0.000 2.492 740 L HA 0.107 4.446 4.340 -0.001 0.000 0.223 740 L C 2.125 178.802 176.870 -0.321 0.000 1.132 740 L CA 0.417 55.019 54.840 -0.397 0.000 0.850 740 L CB 0.038 41.904 42.059 -0.320 0.000 0.966 740 L HN 0.125 nan 8.230 nan 0.000 0.454 741 R N -0.262 120.033 120.500 -0.342 0.000 2.334 741 R HA 0.294 4.633 4.340 -0.001 0.000 0.212 741 R C 0.485 176.508 176.300 -0.461 0.000 0.897 741 R CA -0.001 55.793 56.100 -0.510 0.000 1.056 741 R CB 0.596 30.691 30.300 -0.342 0.000 1.046 741 R HN 0.126 nan 8.270 nan 0.000 0.513 742 A N 0.251 122.891 122.820 -0.300 0.000 2.324 742 A HA 0.503 4.822 4.320 -0.001 0.000 0.330 742 A C -1.075 176.369 177.584 -0.233 0.000 1.165 742 A CA -0.577 51.331 52.037 -0.215 0.000 0.813 742 A CB 0.395 19.370 19.000 -0.042 0.000 1.197 742 A HN 0.123 nan 8.150 nan 0.000 0.484 743 Y N 1.049 121.327 120.300 -0.037 0.000 2.336 743 Y HA 0.388 4.937 4.550 -0.001 0.000 0.331 743 Y C 1.253 177.155 175.900 0.004 0.000 1.211 743 Y CA 0.654 58.744 58.100 -0.018 0.000 1.346 743 Y CB 0.869 39.319 38.460 -0.017 0.000 1.271 743 Y HN 0.850 nan 8.280 nan 0.000 0.538 744 A N 1.773 124.700 122.820 0.179 0.000 2.448 744 A HA 0.184 4.503 4.320 -0.001 0.000 0.239 744 A C 0.281 177.924 177.584 0.099 0.000 1.080 744 A CA -0.377 51.726 52.037 0.110 0.000 0.779 744 A CB -0.091 18.964 19.000 0.091 0.000 1.026 744 A HN 0.891 nan 8.150 nan 0.000 0.499 745 Q N -1.283 118.557 119.800 0.067 0.000 2.487 745 Q HA -0.123 4.216 4.340 -0.001 0.000 0.279 745 Q C -0.158 175.874 176.000 0.055 0.000 1.228 745 Q CA 1.794 57.627 55.803 0.050 0.000 0.873 745 Q CB -2.183 26.578 28.738 0.039 0.000 1.260 745 Q HN 0.924 nan 8.270 nan 0.000 0.471 746 T N -0.467 114.126 114.554 0.066 0.000 2.889 746 T HA 0.380 4.729 4.350 -0.001 0.000 0.315 746 T C -0.613 174.124 174.700 0.061 0.000 1.291 746 T CA -0.776 61.364 62.100 0.067 0.000 1.028 746 T CB 1.507 70.436 68.868 0.102 0.000 1.235 746 T HN 0.321 nan 8.240 nan 0.000 0.491 747 N N 2.186 120.917 118.700 0.051 0.000 2.408 747 N HA 0.235 4.974 4.740 -0.001 0.000 0.257 747 N C -1.716 173.832 175.510 0.064 0.000 1.064 747 N CA -2.037 51.046 53.050 0.056 0.000 0.952 747 N CB 1.192 39.701 38.487 0.037 0.000 1.093 747 N HN 0.228 nan 8.380 nan 0.000 0.490 748 P HA -0.148 nan 4.420 nan 0.000 0.223 748 P C 1.531 178.894 177.300 0.106 0.000 1.151 748 P CA 0.255 63.426 63.100 0.118 0.000 0.787 748 P CB 0.263 32.064 31.700 0.168 0.000 0.788 749 L N -0.048 121.197 121.223 0.036 0.000 2.013 749 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 749 L C 2.317 179.114 176.870 -0.121 0.000 1.073 749 L CA 2.075 56.763 54.840 -0.253 0.000 0.753 749 L CB -0.713 41.161 42.059 -0.309 0.000 0.890 749 L HN -0.037 nan 8.230 nan 0.000 0.432 750 R N 0.347 120.814 120.500 -0.055 0.000 2.081 750 R HA -0.229 4.110 4.340 -0.001 0.000 0.235 750 R C 2.112 178.402 176.300 -0.016 0.000 1.131 750 R CA 1.842 57.916 56.100 -0.043 0.000 0.960 750 R CB -0.483 29.801 30.300 -0.026 0.000 0.856 750 R HN 0.462 nan 8.270 nan 0.000 0.436 751 E N -0.550 119.661 120.200 0.018 0.000 2.077 751 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 751 E C 1.830 178.469 176.600 0.066 0.000 0.989 751 E CA 1.243 57.660 56.400 0.028 0.000 0.800 751 E CB -0.522 29.190 29.700 0.020 0.000 0.746 751 E HN 0.352 nan 8.360 nan 0.000 0.452 752 Y N 1.122 121.393 120.300 -0.048 0.000 2.181 752 Y HA -0.188 4.361 4.550 -0.002 0.000 0.288 752 Y C 2.037 177.914 175.900 -0.038 0.000 1.146 752 Y CA 2.158 60.238 58.100 -0.033 0.000 1.164 752 Y CB -0.351 38.083 38.460 -0.044 0.000 0.982 752 Y HN 0.127 nan 8.280 nan 0.000 0.515 753 Q N -0.801 118.921 119.800 -0.130 0.000 2.050 753 Q HA -0.240 4.099 4.340 -0.001 0.000 0.202 753 Q C 2.449 178.388 176.000 -0.101 0.000 0.980 753 Q CA 1.883 57.576 55.803 -0.184 0.000 0.840 753 Q CB -0.303 28.358 28.738 -0.128 0.000 0.898 753 Q HN 0.487 nan 8.270 nan 0.000 0.424 754 M N 0.939 120.510 119.600 -0.050 0.000 2.067 754 M HA -0.203 4.276 4.480 -0.001 0.000 0.260 754 M C 1.595 177.938 176.300 0.071 0.000 1.069 754 M CA 1.809 57.118 55.300 0.016 0.000 1.117 754 M CB -0.264 32.336 32.600 -0.000 0.000 1.334 754 M HN 0.193 nan 8.290 nan 0.000 0.407 755 E N -0.579 119.631 120.200 0.015 0.000 2.153 755 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 755 E C 1.887 178.489 176.600 0.003 0.000 0.988 755 E CA 1.095 57.507 56.400 0.020 0.000 0.811 755 E CB -0.329 29.380 29.700 0.014 0.000 0.746 755 E HN 0.723 nan 8.360 nan 0.000 0.466 756 G N 0.925 109.663 108.800 -0.103 0.000 2.422 756 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 756 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 756 G C 1.352 176.298 174.900 0.077 0.000 1.146 756 G CA 0.383 45.406 45.100 -0.128 0.000 0.769 756 G HN 0.238 nan 8.290 nan 0.000 0.547 757 F N 2.401 122.322 119.950 -0.049 0.000 2.113 757 F HA 0.116 4.642 4.527 -0.001 0.000 0.297 757 F C 2.763 178.622 175.800 0.099 0.000 1.103 757 F CA 1.373 59.378 58.000 0.009 0.000 1.248 757 F CB -0.340 38.636 39.000 -0.041 0.000 0.999 757 F HN 0.212 nan 8.300 nan 0.000 0.475 758 A N 0.519 123.391 122.820 0.087 0.000 1.940 758 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 758 A C 2.399 179.987 177.584 0.007 0.000 1.176 758 A CA 1.871 53.908 52.037 -0.001 0.000 0.631 758 A CB -0.951 18.092 19.000 0.072 0.000 0.814 758 A HN 0.614 nan 8.150 nan 0.000 0.446 759 M N -2.116 117.535 119.600 0.085 0.000 2.229 759 M HA -0.044 4.435 4.480 -0.001 0.000 0.264 759 M C 1.915 178.362 176.300 0.245 0.000 1.063 759 M CA 1.640 57.047 55.300 0.179 0.000 1.114 759 M CB -0.176 32.540 32.600 0.194 0.000 1.387 759 M HN 0.465 nan 8.290 nan 0.000 0.420 760 F N 1.293 121.260 119.950 0.029 0.000 2.171 760 F HA -0.188 4.339 4.527 -0.001 0.000 0.300 760 F C 2.035 177.689 175.800 -0.243 0.000 1.090 760 F CA 1.839 59.728 58.000 -0.186 0.000 1.293 760 F CB -0.155 38.726 39.000 -0.198 0.000 1.013 760 F HN 0.206 nan 8.300 nan 0.000 0.486 761 E N -1.053 119.070 120.200 -0.129 0.000 2.077 761 E HA -0.315 4.034 4.350 -0.001 0.000 0.193 761 E C 2.047 178.548 176.600 -0.165 0.000 0.989 761 E CA 1.498 57.780 56.400 -0.197 0.000 0.800 761 E CB -0.515 29.053 29.700 -0.219 0.000 0.746 761 E HN 0.550 nan 8.360 nan 0.000 0.452 762 H N 1.105 120.073 119.070 -0.170 0.000 2.319 762 H HA -0.153 4.402 4.556 -0.002 0.000 0.297 762 H C 2.107 177.323 175.328 -0.187 0.000 1.097 762 H CA 2.223 58.184 56.048 -0.145 0.000 1.285 762 H CB -0.225 29.479 29.762 -0.097 0.000 1.368 762 H HN 0.098 nan 8.280 nan 0.000 0.495 763 M N -0.427 118.965 119.600 -0.347 0.000 2.108 763 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 763 M C 1.444 177.458 176.300 -0.476 0.000 1.066 763 M CA 1.744 56.771 55.300 -0.455 0.000 1.107 763 M CB 0.002 32.283 32.600 -0.531 0.000 1.356 763 M HN 0.310 nan 8.290 nan 0.000 0.406 764 I N 0.854 121.117 120.570 -0.511 0.000 2.179 764 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 764 I C 2.160 178.103 176.117 -0.291 0.000 1.088 764 I CA 1.662 62.724 61.300 -0.398 0.000 1.357 764 I CB -1.670 36.121 38.000 -0.347 0.000 1.051 764 I HN 0.434 nan 8.210 nan 0.000 0.409 765 E N 0.596 120.633 120.200 -0.272 0.000 2.110 765 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 765 E C 2.321 178.766 176.600 -0.258 0.000 0.988 765 E CA 1.519 57.788 56.400 -0.218 0.000 0.804 765 E CB -0.082 29.517 29.700 -0.169 0.000 0.745 765 E HN 0.368 nan 8.360 nan 0.000 0.458 766 S N 0.853 116.333 115.700 -0.365 0.000 2.383 766 S HA -0.104 4.366 4.470 -0.001 0.000 0.227 766 S C 2.038 176.464 174.600 -0.290 0.000 1.026 766 S CA 0.727 58.715 58.200 -0.354 0.000 0.981 766 S CB -0.129 62.797 63.200 -0.457 0.000 0.818 766 S HN 0.210 nan 8.310 nan 0.000 0.472 767 I N 1.572 121.975 120.570 -0.279 0.000 2.226 767 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 767 I C 2.442 178.419 176.117 -0.234 0.000 1.100 767 I CA 1.291 62.444 61.300 -0.244 0.000 1.374 767 I CB -0.477 37.388 38.000 -0.225 0.000 1.057 767 I HN 0.341 nan 8.210 nan 0.000 0.413 768 E N 0.837 120.911 120.200 -0.209 0.000 2.077 768 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 768 E C 1.704 178.196 176.600 -0.181 0.000 0.989 768 E CA 1.351 57.649 56.400 -0.170 0.000 0.800 768 E CB -0.096 29.525 29.700 -0.132 0.000 0.746 768 E HN 0.469 nan 8.360 nan 0.000 0.452 769 D N 0.671 120.952 120.400 -0.199 0.000 2.084 769 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 769 D C 1.853 177.956 176.300 -0.328 0.000 0.985 769 D CA 1.041 54.912 54.000 -0.215 0.000 0.826 769 D CB -0.301 40.386 40.800 -0.190 0.000 0.978 769 D HN 0.212 nan 8.370 nan 0.000 0.456 770 E N 0.625 120.583 120.200 -0.403 0.000 2.033 770 E HA -0.173 4.176 4.350 -0.001 0.000 0.199 770 E C 2.090 178.290 176.600 -0.667 0.000 1.011 770 E CA 1.280 57.272 56.400 -0.680 0.000 0.815 770 E CB -0.034 29.272 29.700 -0.656 0.000 0.755 770 E HN -0.035 nan 8.360 nan 0.000 0.451 771 V N 1.196 120.862 119.914 -0.414 0.000 2.453 771 V HA -0.319 3.800 4.120 -0.001 0.000 0.252 771 V C 2.356 178.325 176.094 -0.208 0.000 1.068 771 V CA 1.807 63.942 62.300 -0.275 0.000 1.070 771 V CB -0.889 30.812 31.823 -0.204 0.000 0.664 771 V HN 0.505 nan 8.190 nan 0.000 0.461 772 A N -0.257 122.429 122.820 -0.224 0.000 1.845 772 A HA -0.263 4.056 4.320 -0.001 0.000 0.215 772 A C 2.347 179.784 177.584 -0.245 0.000 1.195 772 A CA 2.213 54.135 52.037 -0.193 0.000 0.616 772 A CB -0.525 18.357 19.000 -0.197 0.000 0.832 772 A HN 0.492 nan 8.150 nan 0.000 0.443 773 K N -0.953 119.253 120.400 -0.323 0.000 2.009 773 K HA -0.103 4.216 4.320 -0.001 0.000 0.210 773 K C 1.805 178.469 176.600 0.107 0.000 1.049 773 K CA 1.763 57.931 56.287 -0.198 0.000 0.929 773 K CB -0.406 31.996 32.500 -0.164 0.000 0.714 773 K HN 0.552 nan 8.250 nan 0.000 0.440 774 F N 0.262 120.130 119.950 -0.138 0.000 2.307 774 F HA -0.191 4.336 4.527 -0.001 0.000 0.301 774 F C 1.999 177.770 175.800 -0.048 0.000 1.076 774 F CA 0.102 58.042 58.000 -0.100 0.000 1.383 774 F CB 0.181 39.087 39.000 -0.157 0.000 1.055 774 F HN -0.056 nan 8.300 nan 0.000 0.526 775 V N -1.216 118.779 119.914 0.135 0.000 2.825 775 V HA -0.159 3.960 4.120 -0.001 0.000 0.246 775 V C 1.679 177.921 176.094 0.247 0.000 1.068 775 V CA 0.916 63.337 62.300 0.203 0.000 1.088 775 V CB 0.003 31.865 31.823 0.064 0.000 0.733 775 V HN 0.207 nan 8.190 nan 0.000 0.468 776 M N -0.574 119.101 119.600 0.125 0.000 2.556 776 M HA 0.220 4.699 4.480 -0.001 0.000 0.245 776 M C 0.596 176.944 176.300 0.080 0.000 1.128 776 M CA 0.995 56.360 55.300 0.108 0.000 1.069 776 M CB 0.304 32.959 32.600 0.091 0.000 1.469 776 M HN -0.094 nan 8.290 nan 0.000 0.494 777 K N 0.298 120.748 120.400 0.084 0.000 3.262 777 K HA 0.643 4.963 4.320 -0.001 0.000 0.166 777 K C -1.606 175.023 176.600 0.048 0.000 1.091 777 K CA 0.031 56.346 56.287 0.048 0.000 0.798 777 K CB 0.745 33.263 32.500 0.030 0.000 0.953 777 K HN 0.005 nan 8.250 nan 0.000 0.588 778 A N 0.948 123.809 122.820 0.068 0.000 2.573 778 A HA 0.546 4.865 4.320 -0.001 0.000 0.299 778 A C -1.403 176.195 177.584 0.023 0.000 1.060 778 A CA -0.778 51.297 52.037 0.064 0.000 0.736 778 A CB 0.872 19.934 19.000 0.103 0.000 1.280 778 A HN 0.171 nan 8.150 nan 0.000 0.401 779 E N 1.191 121.347 120.200 -0.075 0.000 2.227 779 E HA 0.688 5.037 4.350 -0.001 0.000 0.268 779 E C 0.205 176.754 176.600 -0.086 0.000 0.990 779 E CA -0.605 55.679 56.400 -0.193 0.000 0.856 779 E CB 1.209 30.796 29.700 -0.189 0.000 1.159 779 E HN 0.607 nan 8.360 nan 0.000 0.401 780 I N 0.000 120.480 120.570 -0.151 0.000 2.984 780 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 780 I CA 0.000 61.300 61.300 0.000 0.000 1.566 780 I CB 0.000 37.986 38.000 -0.024 0.000 1.214 780 I HN 0.000 nan 8.210 nan 0.000 0.494