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 2buc_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.646 174.600 0.077 0.000 1.055 39 S CA 0.000 58.237 58.200 0.061 0.000 1.107 39 S CB 0.000 63.232 63.200 0.053 0.000 0.593 40 R N 2.086 122.631 120.500 0.074 0.000 1.282 40 R HA -0.100 4.240 4.340 -0.000 0.000 0.415 40 R C -0.875 175.476 176.300 0.085 0.000 1.333 40 R CA 0.885 57.035 56.100 0.083 0.000 1.160 40 R CB -0.403 29.950 30.300 0.089 0.000 3.395 40 R HN 0.744 nan 8.270 nan 0.000 0.494 41 R N 0.846 121.403 120.500 0.095 0.000 2.641 41 R HA 0.346 4.686 4.340 -0.000 0.000 0.269 41 R C 0.334 176.697 176.300 0.105 0.000 1.074 41 R CA -0.086 56.076 56.100 0.103 0.000 1.133 41 R CB 0.340 30.715 30.300 0.124 0.000 1.029 41 R HN 0.589 nan 8.270 nan 0.000 0.488 42 T N -1.417 113.199 114.554 0.104 0.000 2.927 42 T HA 0.167 4.517 4.350 -0.000 0.000 0.281 42 T C -0.623 174.171 174.700 0.155 0.000 0.998 42 T CA -0.782 61.382 62.100 0.106 0.000 1.019 42 T CB 0.708 69.627 68.868 0.086 0.000 1.061 42 T HN 0.524 nan 8.240 nan 0.000 0.518 43 Y N 2.981 123.295 120.300 0.023 0.000 2.637 43 Y HA 0.324 4.874 4.550 -0.000 0.000 0.350 43 Y C 1.083 177.086 175.900 0.172 0.000 1.069 43 Y CA -0.242 57.882 58.100 0.041 0.000 1.397 43 Y CB -0.357 38.063 38.460 -0.066 0.000 1.163 43 Y HN 0.987 nan 8.280 nan 0.000 0.527 44 T N 2.163 116.637 114.554 -0.132 0.000 2.862 44 T HA 0.149 4.499 4.350 -0.000 0.000 0.276 44 T C 0.978 175.541 174.700 -0.229 0.000 0.974 44 T CA -0.673 61.421 62.100 -0.010 0.000 0.966 44 T CB 1.175 70.033 68.868 -0.017 0.000 1.072 44 T HN 0.684 nan 8.240 nan 0.000 0.538 45 L N 0.713 121.659 121.223 -0.462 0.000 2.056 45 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 45 L C 2.676 179.397 176.870 -0.248 0.000 1.078 45 L CA 2.040 56.478 54.840 -0.670 0.000 0.749 45 L CB -1.263 40.243 42.059 -0.922 0.000 0.901 45 L HN 0.948 nan 8.230 nan 0.000 0.433 46 T N -0.630 113.813 114.554 -0.185 0.000 2.833 46 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 46 T C 1.471 176.116 174.700 -0.091 0.000 1.054 46 T CA 1.459 63.496 62.100 -0.104 0.000 1.135 46 T CB -0.374 68.453 68.868 -0.068 0.000 0.869 46 T HN 0.414 nan 8.240 nan 0.000 0.466 47 D N -0.012 120.298 120.400 -0.150 0.000 2.178 47 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 47 D C 1.699 177.973 176.300 -0.044 0.000 0.980 47 D CA 0.965 54.887 54.000 -0.131 0.000 0.842 47 D CB -0.183 40.395 40.800 -0.370 0.000 0.948 47 D HN 0.465 nan 8.370 nan 0.000 0.472 48 Y N 1.342 121.512 120.300 -0.216 0.000 2.206 48 Y HA -0.018 4.532 4.550 -0.000 0.000 0.292 48 Y C 2.181 178.121 175.900 0.065 0.000 1.123 48 Y CA 1.000 59.128 58.100 0.047 0.000 1.142 48 Y CB -0.478 38.035 38.460 0.088 0.000 1.006 48 Y HN -0.157 nan 8.280 nan 0.000 0.518 49 L N 0.243 121.344 121.223 -0.204 0.000 2.027 49 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 49 L C 2.273 179.081 176.870 -0.102 0.000 1.074 49 L CA 1.467 56.168 54.840 -0.231 0.000 0.745 49 L CB -0.503 41.484 42.059 -0.120 0.000 0.898 49 L HN 0.086 nan 8.230 nan 0.000 0.433 50 K N -0.256 120.108 120.400 -0.059 0.000 2.418 50 K HA 0.085 4.405 4.320 -0.000 0.000 0.195 50 K C 0.615 177.207 176.600 -0.013 0.000 1.035 50 K CA 0.332 56.603 56.287 -0.028 0.000 1.003 50 K CB 0.222 32.707 32.500 -0.025 0.000 0.793 50 K HN 0.173 nan 8.250 nan 0.000 0.494 51 S N 0.950 116.654 115.700 0.005 0.000 3.697 51 S HA -0.114 4.356 4.470 -0.000 0.000 0.388 51 S C 1.154 175.805 174.600 0.084 0.000 0.941 51 S CA 0.835 59.083 58.200 0.079 0.000 1.247 51 S CB -1.813 61.417 63.200 0.049 0.000 0.904 51 S HN 0.628 nan 8.310 nan 0.000 0.518 52 T N -2.234 112.360 114.554 0.067 0.000 2.867 52 T HA 0.025 4.375 4.350 -0.000 0.000 0.268 52 T C 0.486 175.079 174.700 -0.178 0.000 1.057 52 T CA 0.830 62.873 62.100 -0.095 0.000 1.136 52 T CB -0.365 68.376 68.868 -0.212 0.000 0.874 52 T HN 0.451 nan 8.240 nan 0.000 0.466 53 F N 2.515 122.561 119.950 0.160 0.000 2.384 53 F HA 0.540 5.067 4.527 -0.000 0.000 0.359 53 F C 0.665 176.569 175.800 0.173 0.000 1.143 53 F CA -1.409 56.705 58.000 0.189 0.000 1.216 53 F CB 0.304 39.480 39.000 0.293 0.000 1.512 53 F HN -0.128 nan 8.300 nan 0.000 0.573 54 R N 1.699 122.325 120.500 0.209 0.000 2.401 54 R HA 0.357 4.697 4.340 -0.000 0.000 0.299 54 R C -1.056 175.359 176.300 0.192 0.000 1.064 54 R CA -0.127 56.073 56.100 0.167 0.000 1.000 54 R CB 0.524 30.867 30.300 0.072 0.000 0.973 54 R HN 0.348 nan 8.270 nan 0.000 0.438 55 V N 6.413 126.464 119.914 0.229 0.000 2.368 55 V HA 0.217 4.337 4.120 -0.000 0.000 0.266 55 V C 0.438 176.655 176.094 0.206 0.000 1.045 55 V CA -0.419 62.032 62.300 0.253 0.000 0.899 55 V CB 0.826 32.852 31.823 0.339 0.000 1.006 55 V HN 0.702 nan 8.190 nan 0.000 0.470 56 K N 4.518 124.970 120.400 0.087 0.000 2.202 56 K HA 0.606 4.926 4.320 -0.000 0.000 0.264 56 K C -0.538 176.043 176.600 -0.031 0.000 1.010 56 K CA -0.085 56.129 56.287 -0.123 0.000 0.940 56 K CB 0.956 33.377 32.500 -0.130 0.000 0.983 56 K HN 0.605 nan 8.250 nan 0.000 0.475 57 F N -1.090 118.796 119.950 -0.106 0.000 2.706 57 F HA 0.473 5.000 4.527 -0.000 0.000 0.328 57 F C -1.263 174.213 175.800 -0.540 0.000 1.123 57 F CA -1.368 56.352 58.000 -0.465 0.000 0.978 57 F CB 0.754 39.639 39.000 -0.192 0.000 1.404 57 F HN 0.335 nan 8.300 nan 0.000 0.497 58 Y N 0.617 120.434 120.300 -0.805 0.000 2.373 58 Y HA 0.498 5.048 4.550 -0.000 0.000 0.327 58 Y C -0.993 174.842 175.900 -0.108 0.000 1.036 58 Y CA -0.608 57.253 58.100 -0.398 0.000 1.265 58 Y CB 1.462 39.593 38.460 -0.547 0.000 1.108 58 Y HN 0.737 nan 8.280 nan 0.000 0.471 59 T N 7.283 121.858 114.554 0.036 0.000 2.753 59 T HA 0.526 4.876 4.350 -0.000 0.000 0.297 59 T C -0.760 173.959 174.700 0.032 0.000 0.981 59 T CA -0.438 61.709 62.100 0.077 0.000 0.956 59 T CB 0.021 68.964 68.868 0.125 0.000 0.936 59 T HN 0.511 nan 8.240 nan 0.000 0.463 60 L N 1.448 122.646 121.223 -0.042 0.000 2.341 60 L HA 0.732 5.071 4.340 -0.000 0.000 0.267 60 L C -0.577 176.234 176.870 -0.097 0.000 1.009 60 L CA -0.950 53.827 54.840 -0.105 0.000 0.819 60 L CB 1.570 43.308 42.059 -0.536 0.000 1.323 60 L HN 0.362 nan 8.230 nan 0.000 0.425 61 Q N 1.562 121.359 119.800 -0.005 0.000 2.339 61 Q HA 0.336 4.676 4.340 -0.000 0.000 0.268 61 Q C -1.731 174.325 176.000 0.093 0.000 1.027 61 Q CA -0.280 55.560 55.803 0.062 0.000 0.759 61 Q CB 1.405 30.220 28.738 0.127 0.000 1.244 61 Q HN 0.681 nan 8.270 nan 0.000 0.464 62 W N 3.764 125.182 121.300 0.196 0.000 2.322 62 W HA 0.073 4.732 4.660 -0.001 0.000 0.328 62 W C 1.044 177.653 176.519 0.150 0.000 1.395 62 W CA -0.157 57.307 57.345 0.200 0.000 1.267 62 W CB 0.315 29.887 29.460 0.187 0.000 1.259 62 W HN 0.662 nan 8.180 nan 0.000 0.560 63 I N 0.470 121.258 120.570 0.364 0.000 4.240 63 I HA 0.320 4.490 4.170 -0.000 0.000 0.331 63 I C 0.586 176.797 176.117 0.156 0.000 1.381 63 I CA -0.147 61.267 61.300 0.189 0.000 1.136 63 I CB -0.098 37.934 38.000 0.054 0.000 1.137 63 I HN 0.178 nan 8.210 nan 0.000 0.411 64 S N 0.147 115.978 115.700 0.217 0.000 2.757 64 S HA 0.244 4.713 4.470 -0.000 0.000 0.285 64 S C 0.050 174.776 174.600 0.211 0.000 1.196 64 S CA -0.050 58.242 58.200 0.153 0.000 0.856 64 S CB 0.617 63.823 63.200 0.011 0.000 1.212 64 S HN 0.305 nan 8.310 nan 0.000 0.516 65 D N 0.213 120.746 120.400 0.221 0.000 2.312 65 D HA -0.129 4.511 4.640 -0.000 0.000 0.211 65 D C 1.040 177.581 176.300 0.403 0.000 0.964 65 D CA 1.407 55.561 54.000 0.258 0.000 0.877 65 D CB -0.454 40.510 40.800 0.273 0.000 0.924 65 D HN 0.856 nan 8.370 nan 0.000 0.515 66 H N -1.192 118.041 119.070 0.272 0.000 3.367 66 H HA 0.430 4.986 4.556 -0.000 0.000 0.257 66 H C -0.510 174.932 175.328 0.189 0.000 1.201 66 H CA -0.447 55.722 56.048 0.202 0.000 1.102 66 H CB 0.156 30.018 29.762 0.167 0.000 1.656 66 H HN 0.013 nan 8.280 nan 0.000 0.662 67 E N 1.083 121.291 120.200 0.014 0.000 2.288 67 E HA 0.463 4.813 4.350 -0.000 0.000 0.268 67 E C -1.559 175.189 176.600 0.247 0.000 0.885 67 E CA -1.207 55.189 56.400 -0.006 0.000 0.767 67 E CB 2.761 32.337 29.700 -0.206 0.000 1.220 67 E HN 0.323 nan 8.360 nan 0.000 0.427 68 Y N -0.664 119.641 120.300 0.008 0.000 2.562 68 Y HA 0.599 5.149 4.550 -0.000 0.000 0.345 68 Y C -1.680 174.209 175.900 -0.019 0.000 1.045 68 Y CA -1.410 56.619 58.100 -0.119 0.000 1.028 68 Y CB 0.735 38.808 38.460 -0.646 0.000 1.297 68 Y HN 0.333 nan 8.280 nan 0.000 0.463 69 L N 3.683 125.016 121.223 0.184 0.000 2.334 69 L HA 0.463 4.803 4.340 -0.000 0.000 0.277 69 L C -1.091 176.029 176.870 0.415 0.000 1.075 69 L CA -0.834 54.125 54.840 0.198 0.000 0.804 69 L CB 1.067 43.208 42.059 0.137 0.000 1.174 69 L HN 0.760 nan 8.230 nan 0.000 0.438 70 Y N 2.820 123.273 120.300 0.255 0.000 2.470 70 Y HA 0.345 4.895 4.550 -0.000 0.000 0.341 70 Y C -0.838 175.161 175.900 0.165 0.000 1.021 70 Y CA -1.263 56.943 58.100 0.177 0.000 1.025 70 Y CB 1.525 40.063 38.460 0.130 0.000 1.266 70 Y HN 0.406 nan 8.280 nan 0.000 0.448 71 K N 5.355 125.470 120.400 -0.475 0.000 2.262 71 K HA 0.267 4.586 4.320 -0.000 0.000 0.282 71 K C -1.172 174.936 176.600 -0.820 0.000 1.066 71 K CA -0.376 55.667 56.287 -0.406 0.000 0.901 71 K CB 0.878 33.360 32.500 -0.031 0.000 1.089 71 K HN 0.848 nan 8.250 nan 0.000 0.476 72 Q N 3.504 123.024 119.800 -0.467 0.000 2.294 72 Q HA 0.081 4.420 4.340 -0.000 0.000 0.264 72 Q C -1.186 174.744 176.000 -0.117 0.000 0.992 72 Q CA -0.091 55.525 55.803 -0.311 0.000 0.747 72 Q CB 1.158 29.823 28.738 -0.122 0.000 1.262 72 Q HN 0.706 nan 8.270 nan 0.000 0.452 73 E N 3.113 123.254 120.200 -0.099 0.000 2.252 73 E HA -0.351 3.999 4.350 -0.000 0.000 0.218 73 E C -0.322 176.256 176.600 -0.036 0.000 1.253 73 E CA 0.574 56.939 56.400 -0.057 0.000 0.705 73 E CB -1.053 28.628 29.700 -0.033 0.000 1.172 73 E HN 0.891 nan 8.360 nan 0.000 0.369 74 N N -1.630 117.048 118.700 -0.037 0.000 2.857 74 N HA -0.203 4.537 4.740 -0.000 0.000 0.242 74 N C -0.468 175.126 175.510 0.140 0.000 0.983 74 N CA 1.576 54.653 53.050 0.046 0.000 0.934 74 N CB -0.999 37.513 38.487 0.041 0.000 1.115 74 N HN 0.417 nan 8.380 nan 0.000 0.593 75 N N 0.683 119.397 118.700 0.022 0.000 2.518 75 N HA 0.490 5.229 4.740 -0.000 0.000 0.283 75 N C -0.098 175.390 175.510 -0.036 0.000 1.119 75 N CA -0.119 52.924 53.050 -0.012 0.000 0.983 75 N CB 1.166 39.637 38.487 -0.026 0.000 1.139 75 N HN 0.130 nan 8.380 nan 0.000 0.465 76 I N 2.379 122.914 120.570 -0.059 0.000 2.312 76 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 76 I C -0.673 175.470 176.117 0.044 0.000 1.008 76 I CA -0.401 60.865 61.300 -0.058 0.000 1.226 76 I CB 0.566 38.467 38.000 -0.164 0.000 1.371 76 I HN 0.244 nan 8.210 nan 0.000 0.468 77 L N 6.775 128.048 121.223 0.084 0.000 2.334 77 L HA 0.495 4.835 4.340 -0.000 0.000 0.276 77 L C -0.510 176.388 176.870 0.046 0.000 1.014 77 L CA -0.674 54.198 54.840 0.053 0.000 0.815 77 L CB 2.081 44.158 42.059 0.030 0.000 1.268 77 L HN 0.483 nan 8.230 nan 0.000 0.428 78 L N 3.146 124.327 121.223 -0.071 0.000 2.270 78 L HA 0.431 4.770 4.340 -0.000 0.000 0.286 78 L C -0.929 175.790 176.870 -0.252 0.000 1.059 78 L CA 0.055 54.821 54.840 -0.124 0.000 0.839 78 L CB -0.046 41.979 42.059 -0.057 0.000 1.221 78 L HN 0.305 nan 8.230 nan 0.000 0.431 79 F N 3.427 123.140 119.950 -0.396 0.000 2.384 79 F HA 0.299 4.825 4.527 -0.000 0.000 0.338 79 F C 0.824 176.353 175.800 -0.451 0.000 1.103 79 F CA -0.196 57.500 58.000 -0.506 0.000 1.157 79 F CB 0.849 39.272 39.000 -0.962 0.000 1.167 79 F HN 0.454 nan 8.300 nan 0.000 0.529 80 N N 2.018 120.686 118.700 -0.054 0.000 2.425 80 N HA 0.301 5.040 4.740 -0.000 0.000 0.268 80 N C 0.326 175.838 175.510 0.004 0.000 0.991 80 N CA 0.032 53.094 53.050 0.021 0.000 0.931 80 N CB 1.822 40.417 38.487 0.180 0.000 1.130 80 N HN 0.781 nan 8.380 nan 0.000 0.493 81 A N 3.484 126.247 122.820 -0.095 0.000 1.968 81 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 81 A C 1.860 179.205 177.584 -0.399 0.000 1.169 81 A CA 1.077 52.957 52.037 -0.261 0.000 0.638 81 A CB -0.248 18.438 19.000 -0.524 0.000 0.812 81 A HN 0.846 nan 8.150 nan 0.000 0.446 82 E N -1.438 118.525 120.200 -0.395 0.000 2.031 82 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 82 E C 1.539 177.929 176.600 -0.349 0.000 0.994 82 E CA 1.811 57.996 56.400 -0.358 0.000 0.800 82 E CB -0.142 29.208 29.700 -0.584 0.000 0.752 82 E HN 0.766 nan 8.360 nan 0.000 0.447 83 Y N -2.279 118.042 120.300 0.036 0.000 2.333 83 Y HA 0.355 4.905 4.550 -0.000 0.000 0.287 83 Y C 1.862 177.780 175.900 0.030 0.000 1.149 83 Y CA 0.551 58.671 58.100 0.034 0.000 1.193 83 Y CB 0.286 38.763 38.460 0.029 0.000 1.175 83 Y HN 0.196 nan 8.280 nan 0.000 0.518 84 G N -0.659 108.268 108.800 0.213 0.000 2.672 84 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.197 84 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.197 84 G C -0.609 174.375 174.900 0.140 0.000 0.995 84 G CA -0.297 44.899 45.100 0.160 0.000 0.754 84 G HN 0.388 nan 8.290 nan 0.000 0.505 85 N N 1.537 120.290 118.700 0.089 0.000 2.508 85 N HA 0.503 5.243 4.740 -0.000 0.000 0.264 85 N C -0.066 175.346 175.510 -0.164 0.000 1.216 85 N CA 0.516 53.551 53.050 -0.026 0.000 0.943 85 N CB 1.357 39.820 38.487 -0.039 0.000 1.113 85 N HN 0.692 nan 8.380 nan 0.000 0.447 86 S N -0.930 114.572 115.700 -0.330 0.000 2.561 86 S HA 0.622 5.092 4.470 -0.000 0.000 0.303 86 S C -0.559 173.837 174.600 -0.341 0.000 1.110 86 S CA -0.965 56.876 58.200 -0.598 0.000 1.034 86 S CB 0.629 62.994 63.200 -1.392 0.000 1.010 86 S HN 0.750 nan 8.310 nan 0.000 0.482 87 S N 2.566 118.119 115.700 -0.245 0.000 2.509 87 S HA 0.654 5.123 4.470 -0.000 0.000 0.297 87 S C -0.214 174.328 174.600 -0.097 0.000 1.118 87 S CA -0.936 57.184 58.200 -0.134 0.000 1.074 87 S CB 0.253 63.411 63.200 -0.070 0.000 1.038 87 S HN 0.689 nan 8.310 nan 0.000 0.498 88 I N 3.312 123.838 120.570 -0.074 0.000 2.494 88 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 88 I C 0.713 176.831 176.117 0.001 0.000 1.106 88 I CA -0.008 61.265 61.300 -0.044 0.000 1.369 88 I CB -0.092 37.868 38.000 -0.067 0.000 1.410 88 I HN 0.801 nan 8.210 nan 0.000 0.523 89 F N 6.928 126.813 119.950 -0.108 0.000 2.219 89 F HA 0.253 4.780 4.527 -0.000 0.000 0.294 89 F C 0.597 176.330 175.800 -0.111 0.000 1.086 89 F CA 0.554 58.498 58.000 -0.094 0.000 1.330 89 F CB 0.478 39.432 39.000 -0.075 0.000 1.047 89 F HN 0.274 nan 8.300 nan 0.000 0.495 90 L N 1.367 122.572 121.223 -0.030 0.000 2.516 90 L HA 0.247 4.587 4.340 -0.000 0.000 0.267 90 L C -0.789 175.965 176.870 -0.192 0.000 0.957 90 L CA -0.622 54.108 54.840 -0.184 0.000 0.860 90 L CB 1.139 43.070 42.059 -0.214 0.000 1.265 90 L HN 0.060 nan 8.230 nan 0.000 0.403 91 E N 2.156 122.235 120.200 -0.202 0.000 2.374 91 E HA 0.050 4.400 4.350 -0.000 0.000 0.260 91 E C 0.185 176.674 176.600 -0.185 0.000 1.101 91 E CA 0.007 56.313 56.400 -0.157 0.000 0.907 91 E CB 0.639 30.262 29.700 -0.128 0.000 1.014 91 E HN 0.738 nan 8.360 nan 0.000 0.427 92 N N 0.613 119.260 118.700 -0.089 0.000 2.364 92 N HA -0.237 4.502 4.740 -0.000 0.000 0.183 92 N C 1.468 176.954 175.510 -0.040 0.000 1.022 92 N CA 1.503 54.547 53.050 -0.010 0.000 0.883 92 N CB -0.124 38.372 38.487 0.015 0.000 0.965 92 N HN 0.480 nan 8.380 nan 0.000 0.438 93 S N -1.047 114.596 115.700 -0.096 0.000 2.406 93 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 93 S C 1.715 176.223 174.600 -0.154 0.000 1.020 93 S CA 1.155 59.295 58.200 -0.100 0.000 0.965 93 S CB -1.141 62.005 63.200 -0.090 0.000 0.798 93 S HN 0.362 nan 8.310 nan 0.000 0.488 94 T N 1.376 115.776 114.554 -0.255 0.000 2.833 94 T HA 0.042 4.392 4.350 -0.000 0.000 0.269 94 T C 1.239 175.676 174.700 -0.439 0.000 1.054 94 T CA 1.290 63.161 62.100 -0.382 0.000 1.135 94 T CB -0.609 67.920 68.868 -0.564 0.000 0.869 94 T HN 0.512 nan 8.240 nan 0.000 0.466 95 F N 1.405 121.150 119.950 -0.342 0.000 2.259 95 F HA -0.031 4.495 4.527 -0.000 0.000 0.298 95 F C 2.131 177.726 175.800 -0.341 0.000 1.088 95 F CA 0.463 58.225 58.000 -0.397 0.000 1.358 95 F CB -0.141 38.675 39.000 -0.306 0.000 1.040 95 F HN 0.099 nan 8.300 nan 0.000 0.505 96 D N -0.141 120.218 120.400 -0.070 0.000 2.183 96 D HA -0.142 4.497 4.640 -0.000 0.000 0.203 96 D C 1.909 178.121 176.300 -0.147 0.000 0.969 96 D CA 1.055 54.994 54.000 -0.102 0.000 0.842 96 D CB -0.250 40.505 40.800 -0.075 0.000 0.957 96 D HN 0.449 nan 8.370 nan 0.000 0.484 97 E N 0.400 120.502 120.200 -0.163 0.000 2.481 97 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 97 E C 1.793 178.265 176.600 -0.214 0.000 1.047 97 E CA 0.162 56.471 56.400 -0.153 0.000 0.867 97 E CB -0.149 29.486 29.700 -0.108 0.000 0.858 97 E HN 0.308 nan 8.360 nan 0.000 0.513 98 L N 0.527 121.541 121.223 -0.349 0.000 2.093 98 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 98 L C 1.996 178.472 176.870 -0.658 0.000 1.085 98 L CA 1.284 55.767 54.840 -0.596 0.000 0.755 98 L CB -0.417 41.035 42.059 -1.012 0.000 0.904 98 L HN 0.472 nan 8.230 nan 0.000 0.435 99 G N -1.331 107.173 108.800 -0.493 0.000 2.254 99 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.225 99 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.225 99 G C 0.141 174.907 174.900 -0.223 0.000 1.003 99 G CA 0.170 45.095 45.100 -0.293 0.000 0.622 99 G HN 0.364 nan 8.290 nan 0.000 0.507 100 Y N 0.572 120.765 120.300 -0.179 0.000 2.621 100 Y HA 0.847 5.396 4.550 -0.000 0.000 0.334 100 Y C 0.246 176.066 175.900 -0.132 0.000 1.074 100 Y CA -1.499 56.502 58.100 -0.165 0.000 1.149 100 Y CB 0.884 39.157 38.460 -0.313 0.000 1.302 100 Y HN 0.055 nan 8.280 nan 0.000 0.501 101 S N 1.076 116.885 115.700 0.182 0.000 2.416 101 S HA 0.300 4.769 4.470 -0.000 0.000 0.287 101 S C -0.556 174.120 174.600 0.127 0.000 1.139 101 S CA -0.703 57.539 58.200 0.070 0.000 1.058 101 S CB -0.058 63.153 63.200 0.020 0.000 0.967 101 S HN 0.629 nan 8.310 nan 0.000 0.495 102 T N 4.262 118.827 114.554 0.018 0.000 2.728 102 T HA 0.153 4.503 4.350 -0.000 0.000 0.296 102 T C 1.473 176.111 174.700 -0.103 0.000 0.940 102 T CA -0.796 61.318 62.100 0.022 0.000 1.013 102 T CB 0.292 69.127 68.868 -0.055 0.000 0.912 102 T HN 0.716 nan 8.240 nan 0.000 0.484 103 N N 2.071 120.756 118.700 -0.025 0.000 2.356 103 N HA 0.023 4.763 4.740 -0.000 0.000 0.178 103 N C -0.332 175.155 175.510 -0.038 0.000 1.075 103 N CA 0.086 53.084 53.050 -0.088 0.000 0.889 103 N CB 0.624 39.010 38.487 -0.169 0.000 0.999 103 N HN 0.435 nan 8.380 nan 0.000 0.464 104 D N -0.512 119.936 120.400 0.080 0.000 2.655 104 D HA 0.299 4.939 4.640 -0.000 0.000 0.229 104 D C -1.569 174.953 176.300 0.370 0.000 1.229 104 D CA -0.512 53.571 54.000 0.139 0.000 0.807 104 D CB 1.970 42.818 40.800 0.080 0.000 1.514 104 D HN 0.144 nan 8.370 nan 0.000 0.444 105 Y N -1.002 119.493 120.300 0.325 0.000 2.576 105 Y HA 0.770 5.320 4.550 -0.000 0.000 0.346 105 Y C -0.995 175.116 175.900 0.353 0.000 1.018 105 Y CA -0.996 57.366 58.100 0.438 0.000 1.050 105 Y CB 1.877 40.664 38.460 0.546 0.000 1.280 105 Y HN 0.120 nan 8.280 nan 0.000 0.474 106 S N 1.949 117.962 115.700 0.523 0.000 2.720 106 S HA 0.605 5.075 4.470 -0.000 0.000 0.278 106 S C -1.758 173.200 174.600 0.598 0.000 1.172 106 S CA -0.611 57.872 58.200 0.473 0.000 1.019 106 S CB 0.814 64.266 63.200 0.421 0.000 1.049 106 S HN 0.689 nan 8.310 nan 0.000 0.483 107 V N 5.035 125.177 119.914 0.380 0.000 2.465 107 V HA 0.430 4.549 4.120 -0.000 0.000 0.279 107 V C 0.704 176.601 176.094 -0.328 0.000 1.045 107 V CA -0.670 61.707 62.300 0.128 0.000 0.938 107 V CB 1.392 33.279 31.823 0.108 0.000 0.986 107 V HN 1.001 nan 8.190 nan 0.000 0.467 108 S N 6.498 121.628 115.700 -0.949 0.000 2.560 108 S HA 0.130 4.600 4.470 -0.000 0.000 0.284 108 S C -1.234 173.062 174.600 -0.507 0.000 1.327 108 S CA -0.728 56.619 58.200 -1.422 0.000 1.055 108 S CB 0.590 62.823 63.200 -1.612 0.000 0.868 108 S HN 0.690 nan 8.310 nan 0.000 0.506 109 P HA -0.143 nan 4.420 nan 0.000 0.223 109 P C 0.629 177.881 177.300 -0.079 0.000 1.144 109 P CA 1.334 64.362 63.100 -0.120 0.000 0.783 109 P CB -0.156 31.507 31.700 -0.061 0.000 0.771 110 D N -1.145 119.199 120.400 -0.093 0.000 2.339 110 D HA -0.034 4.605 4.640 -0.000 0.000 0.217 110 D C 0.691 176.984 176.300 -0.012 0.000 1.050 110 D CA -0.283 53.705 54.000 -0.020 0.000 0.856 110 D CB -0.509 40.315 40.800 0.040 0.000 0.922 110 D HN -0.079 nan 8.370 nan 0.000 0.518 111 R N -0.830 119.651 120.500 -0.032 0.000 3.875 111 R HA -0.217 4.123 4.340 -0.000 0.000 0.321 111 R C 1.182 177.487 176.300 0.009 0.000 1.196 111 R CA 1.274 57.424 56.100 0.084 0.000 0.868 111 R CB -2.494 27.919 30.300 0.189 0.000 1.333 111 R HN 0.342 nan 8.270 nan 0.000 0.522 112 Q N -1.287 118.436 119.800 -0.128 0.000 2.297 112 Q HA 0.174 4.514 4.340 -0.000 0.000 0.203 112 Q C -0.231 175.349 176.000 -0.699 0.000 0.931 112 Q CA 0.808 56.371 55.803 -0.401 0.000 0.885 112 Q CB 0.434 28.923 28.738 -0.415 0.000 0.991 112 Q HN 0.188 nan 8.270 nan 0.000 0.498 113 F N -0.514 119.340 119.950 -0.160 0.000 2.588 113 F HA 0.508 5.035 4.527 -0.000 0.000 0.314 113 F C -0.567 175.214 175.800 -0.033 0.000 1.069 113 F CA -1.125 56.826 58.000 -0.083 0.000 0.931 113 F CB 1.791 40.791 39.000 -0.000 0.000 1.260 113 F HN -0.191 nan 8.300 nan 0.000 0.465 114 I N 2.612 123.356 120.570 0.290 0.000 2.545 114 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 114 I C -1.835 174.358 176.117 0.127 0.000 1.040 114 I CA -0.925 60.508 61.300 0.222 0.000 1.068 114 I CB 1.446 39.503 38.000 0.096 0.000 1.251 114 I HN 0.460 nan 8.210 nan 0.000 0.424 115 L N 7.719 129.147 121.223 0.341 0.000 2.312 115 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 115 L C -1.216 175.812 176.870 0.264 0.000 1.070 115 L CA 0.301 55.281 54.840 0.233 0.000 0.805 115 L CB 1.076 43.280 42.059 0.241 0.000 1.174 115 L HN 0.404 nan 8.230 nan 0.000 0.434 116 F N 2.710 122.940 119.950 0.467 0.000 2.449 116 F HA 0.371 4.897 4.527 -0.000 0.000 0.342 116 F C 0.330 176.351 175.800 0.368 0.000 1.127 116 F CA -0.820 57.462 58.000 0.471 0.000 0.975 116 F CB 1.514 40.820 39.000 0.510 0.000 1.146 116 F HN 0.419 nan 8.300 nan 0.000 0.444 117 E N 4.647 125.122 120.200 0.459 0.000 2.146 117 E HA 0.314 4.664 4.350 -0.000 0.000 0.282 117 E C -1.545 175.081 176.600 0.042 0.000 0.989 117 E CA -0.527 55.885 56.400 0.021 0.000 0.799 117 E CB 1.054 30.817 29.700 0.105 0.000 1.088 117 E HN 0.571 nan 8.360 nan 0.000 0.397 118 Y N 1.705 121.797 120.300 -0.347 0.000 2.655 118 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 118 Y C -0.384 175.364 175.900 -0.254 0.000 1.154 118 Y CA -1.578 56.342 58.100 -0.300 0.000 1.055 118 Y CB 0.686 38.795 38.460 -0.586 0.000 1.295 118 Y HN 0.471 nan 8.280 nan 0.000 0.465 119 N N 0.122 118.789 118.700 -0.055 0.000 2.738 119 N HA -0.297 4.443 4.740 -0.000 0.000 0.249 119 N C -1.116 174.351 175.510 -0.071 0.000 1.047 119 N CA 0.969 53.972 53.050 -0.078 0.000 0.707 119 N CB -1.623 36.760 38.487 -0.174 0.000 0.937 119 N HN 0.881 nan 8.380 nan 0.000 0.545 120 Y N 0.089 120.310 120.300 -0.133 0.000 2.650 120 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 120 Y C 0.059 175.921 175.900 -0.064 0.000 1.165 120 Y CA 0.037 58.067 58.100 -0.117 0.000 1.473 120 Y CB 0.612 38.961 38.460 -0.184 0.000 1.224 120 Y HN 0.020 nan 8.280 nan 0.000 0.533 121 V N 8.290 127.944 119.914 -0.434 0.000 2.349 121 V HA 0.182 4.302 4.120 -0.000 0.000 0.284 121 V C -0.135 175.628 176.094 -0.552 0.000 1.014 121 V CA -1.381 60.706 62.300 -0.355 0.000 0.826 121 V CB 1.162 32.873 31.823 -0.188 0.000 1.009 121 V HN 0.701 nan 8.190 nan 0.000 0.431 122 K N 3.432 123.513 120.400 -0.531 0.000 2.489 122 K HA 0.105 4.425 4.320 -0.000 0.000 0.278 122 K C 0.491 176.914 176.600 -0.294 0.000 1.000 122 K CA 0.392 56.462 56.287 -0.360 0.000 1.012 122 K CB 0.964 33.452 32.500 -0.021 0.000 0.903 122 K HN 0.797 nan 8.250 nan 0.000 0.485 123 Q N 2.836 122.425 119.800 -0.351 0.000 2.679 123 Q HA 0.149 4.488 4.340 -0.000 0.000 0.255 123 Q C 0.086 175.836 176.000 -0.418 0.000 1.053 123 Q CA -0.178 55.225 55.803 -0.665 0.000 0.620 123 Q CB 0.059 28.191 28.738 -1.011 0.000 3.775 123 Q HN 0.692 nan 8.270 nan 0.000 0.446 124 W N -0.055 121.223 121.300 -0.036 0.000 1.756 124 W HA 0.374 5.034 4.660 -0.001 0.000 0.638 124 W C 1.851 178.339 176.519 -0.051 0.000 1.472 124 W CA -0.768 56.578 57.345 0.002 0.000 1.437 124 W CB -0.235 29.172 29.460 -0.087 0.000 3.368 124 W HN 0.257 nan 8.180 nan 0.000 0.771 125 R N -0.605 119.968 120.500 0.121 0.000 2.081 125 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 125 R C 1.820 177.948 176.300 -0.286 0.000 1.131 125 R CA 1.795 57.797 56.100 -0.163 0.000 0.960 125 R CB -0.422 29.640 30.300 -0.396 0.000 0.856 125 R HN 0.512 nan 8.270 nan 0.000 0.436 126 H N -1.351 117.780 119.070 0.102 0.000 2.788 126 H HA 0.155 4.711 4.556 -0.000 0.000 0.262 126 H C 0.586 176.013 175.328 0.164 0.000 0.968 126 H CA 0.397 56.542 56.048 0.161 0.000 1.218 126 H CB 0.275 30.121 29.762 0.140 0.000 1.443 126 H HN 0.122 nan 8.280 nan 0.000 0.478 127 S N 1.538 117.222 115.700 -0.027 0.000 2.576 127 S HA 0.342 4.812 4.470 -0.000 0.000 0.276 127 S C -0.319 174.122 174.600 -0.265 0.000 1.339 127 S CA -0.493 57.361 58.200 -0.576 0.000 1.039 127 S CB 0.407 62.774 63.200 -1.388 0.000 0.902 127 S HN 0.453 nan 8.310 nan 0.000 0.516 128 Y N -2.190 117.923 120.300 -0.313 0.000 2.662 128 Y HA 0.649 5.199 4.550 -0.000 0.000 0.334 128 Y C -0.744 175.087 175.900 -0.116 0.000 1.185 128 Y CA -1.078 56.829 58.100 -0.322 0.000 1.074 128 Y CB 0.485 38.658 38.460 -0.478 0.000 1.330 128 Y HN 0.811 nan 8.280 nan 0.000 0.458 129 T N 0.122 114.658 114.554 -0.029 0.000 2.925 129 T HA 0.989 5.339 4.350 -0.000 0.000 0.285 129 T C -0.366 174.373 174.700 0.064 0.000 1.021 129 T CA -0.089 62.031 62.100 0.033 0.000 1.042 129 T CB 1.691 70.550 68.868 -0.014 0.000 1.037 129 T HN 1.650 nan 8.240 nan 0.000 0.481 130 A N 1.294 124.143 122.820 0.049 0.000 2.602 130 A HA 0.786 5.106 4.320 -0.000 0.000 0.290 130 A C -0.444 176.901 177.584 -0.399 0.000 1.114 130 A CA -0.977 50.946 52.037 -0.191 0.000 0.683 130 A CB 1.401 20.262 19.000 -0.230 0.000 1.281 130 A HN 0.806 nan 8.150 nan 0.000 0.416 131 S N -0.451 114.784 115.700 -0.775 0.000 2.565 131 S HA 0.754 5.224 4.470 -0.000 0.000 0.290 131 S C -1.495 172.414 174.600 -1.152 0.000 1.150 131 S CA -0.028 57.619 58.200 -0.921 0.000 1.058 131 S CB 0.567 63.004 63.200 -1.271 0.000 1.032 131 S HN 0.434 nan 8.310 nan 0.000 0.510 132 Y N 0.448 120.510 120.300 -0.396 0.000 2.442 132 Y HA 0.443 4.992 4.550 -0.000 0.000 0.344 132 Y C -0.380 175.560 175.900 0.066 0.000 0.976 132 Y CA -0.965 57.063 58.100 -0.120 0.000 1.040 132 Y CB 1.678 40.029 38.460 -0.183 0.000 1.228 132 Y HN 0.480 nan 8.280 nan 0.000 0.451 133 D N 2.582 123.234 120.400 0.420 0.000 2.342 133 D HA 0.567 5.207 4.640 -0.000 0.000 0.243 133 D C -0.839 175.615 176.300 0.256 0.000 1.019 133 D CA -0.328 53.900 54.000 0.381 0.000 0.864 133 D CB 2.021 43.173 40.800 0.586 0.000 1.315 133 D HN 0.363 nan 8.370 nan 0.000 0.468 134 I N 1.753 122.426 120.570 0.172 0.000 2.377 134 I HA 0.275 4.445 4.170 -0.000 0.000 0.293 134 I C -0.872 175.366 176.117 0.202 0.000 0.987 134 I CA -1.022 60.363 61.300 0.141 0.000 1.185 134 I CB 1.231 39.283 38.000 0.087 0.000 1.341 134 I HN 0.215 nan 8.210 nan 0.000 0.455 135 Y N 5.170 125.465 120.300 -0.009 0.000 2.328 135 Y HA 0.261 4.811 4.550 -0.000 0.000 0.337 135 Y C 0.020 175.980 175.900 0.101 0.000 0.966 135 Y CA -0.651 57.464 58.100 0.024 0.000 1.136 135 Y CB 0.996 39.391 38.460 -0.109 0.000 1.170 135 Y HN 0.510 nan 8.280 nan 0.000 0.470 136 D N 6.219 126.482 120.400 -0.229 0.000 2.342 136 D HA 0.031 4.670 4.640 -0.000 0.000 0.260 136 D C 0.742 176.748 176.300 -0.489 0.000 1.278 136 D CA 0.541 54.339 54.000 -0.337 0.000 0.910 136 D CB 0.918 41.571 40.800 -0.245 0.000 1.079 136 D HN 0.854 nan 8.370 nan 0.000 0.496 137 L N 3.976 124.970 121.223 -0.382 0.000 2.156 137 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 137 L C 2.258 178.953 176.870 -0.291 0.000 1.095 137 L CA 0.486 55.178 54.840 -0.247 0.000 0.770 137 L CB -0.160 41.743 42.059 -0.259 0.000 0.914 137 L HN 0.402 nan 8.230 nan 0.000 0.439 138 N N 0.808 119.292 118.700 -0.359 0.000 2.171 138 N HA -0.155 4.584 4.740 -0.000 0.000 0.184 138 N C 1.490 176.868 175.510 -0.221 0.000 1.021 138 N CA 1.338 54.223 53.050 -0.275 0.000 0.854 138 N CB 0.048 38.364 38.487 -0.285 0.000 0.994 138 N HN 0.461 nan 8.380 nan 0.000 0.426 139 K N 0.678 120.931 120.400 -0.246 0.000 2.372 139 K HA 0.224 4.544 4.320 -0.000 0.000 0.200 139 K C -0.303 176.165 176.600 -0.219 0.000 1.022 139 K CA -0.268 55.903 56.287 -0.194 0.000 1.125 139 K CB 0.423 32.827 32.500 -0.161 0.000 0.855 139 K HN -0.122 nan 8.250 nan 0.000 0.524 140 R N 1.310 121.642 120.500 -0.280 0.000 3.092 140 R HA -0.223 4.117 4.340 -0.000 0.000 0.245 140 R C -0.937 175.122 176.300 -0.401 0.000 0.881 140 R CA 0.816 56.755 56.100 -0.268 0.000 0.614 140 R CB -1.768 28.510 30.300 -0.038 0.000 1.128 140 R HN 0.683 nan 8.270 nan 0.000 0.483 141 Q N 0.316 119.633 119.800 -0.805 0.000 2.418 141 Q HA 0.491 4.831 4.340 -0.000 0.000 0.282 141 Q C -1.145 174.528 176.000 -0.544 0.000 1.044 141 Q CA -0.863 54.652 55.803 -0.480 0.000 0.813 141 Q CB 1.887 30.487 28.738 -0.230 0.000 1.428 141 Q HN 0.325 nan 8.270 nan 0.000 0.402 142 L N 3.127 124.279 121.223 -0.119 0.000 2.371 142 L HA 0.383 4.722 4.340 -0.000 0.000 0.272 142 L C -0.480 176.415 176.870 0.040 0.000 1.124 142 L CA -0.511 54.377 54.840 0.081 0.000 0.816 142 L CB 0.814 43.005 42.059 0.221 0.000 1.129 142 L HN 0.637 nan 8.230 nan 0.000 0.448 143 I N 2.347 122.961 120.570 0.074 0.000 2.416 143 I HA 0.040 4.210 4.170 -0.000 0.000 0.288 143 I C 1.123 177.273 176.117 0.055 0.000 1.051 143 I CA 0.415 61.745 61.300 0.050 0.000 1.375 143 I CB 1.449 39.474 38.000 0.042 0.000 1.407 143 I HN 0.674 nan 8.210 nan 0.000 0.516 144 T N 0.848 115.422 114.554 0.033 0.000 3.003 144 T HA 0.191 4.541 4.350 -0.000 0.000 0.261 144 T C 0.300 175.005 174.700 0.008 0.000 1.003 144 T CA -0.410 61.708 62.100 0.031 0.000 0.917 144 T CB -0.197 68.690 68.868 0.030 0.000 1.084 144 T HN 0.615 nan 8.240 nan 0.000 0.522 145 E N 1.586 121.784 120.200 -0.002 0.000 2.191 145 E HA 0.413 4.763 4.350 -0.000 0.000 0.274 145 E C -0.835 175.746 176.600 -0.032 0.000 0.948 145 E CA -0.907 55.484 56.400 -0.015 0.000 0.802 145 E CB 0.766 30.461 29.700 -0.010 0.000 1.137 145 E HN -0.050 nan 8.360 nan 0.000 0.397 146 E N 1.642 121.815 120.200 -0.045 0.000 2.228 146 E HA -0.218 4.132 4.350 -0.000 0.000 0.213 146 E C -0.362 176.180 176.600 -0.097 0.000 1.282 146 E CA 0.756 57.116 56.400 -0.067 0.000 0.707 146 E CB -1.344 28.328 29.700 -0.046 0.000 1.150 146 E HN 0.693 nan 8.360 nan 0.000 0.362 147 R N -0.277 120.157 120.500 -0.111 0.000 2.637 147 R HA 0.463 4.803 4.340 -0.000 0.000 0.269 147 R C 0.873 177.018 176.300 -0.257 0.000 1.089 147 R CA -0.704 55.315 56.100 -0.134 0.000 1.177 147 R CB 0.504 30.759 30.300 -0.076 0.000 1.091 147 R HN 0.014 nan 8.270 nan 0.000 0.540 148 I N 2.253 122.635 120.570 -0.312 0.000 2.556 148 I HA 0.059 4.228 4.170 -0.000 0.000 0.284 148 I C -1.781 174.036 176.117 -0.499 0.000 1.114 148 I CA -1.671 59.291 61.300 -0.563 0.000 1.418 148 I CB 0.444 38.121 38.000 -0.540 0.000 1.394 148 I HN 0.369 nan 8.210 nan 0.000 0.552 149 P HA 0.057 nan 4.420 nan 0.000 0.270 149 P C -0.838 176.230 177.300 -0.387 0.000 1.223 149 P CA -0.291 62.393 63.100 -0.694 0.000 0.785 149 P CB 0.362 31.172 31.700 -1.483 0.000 0.923 150 N N 2.323 120.892 118.700 -0.218 0.000 2.453 150 N HA 0.022 4.761 4.740 -0.000 0.000 0.253 150 N C 0.411 176.008 175.510 0.145 0.000 1.252 150 N CA 0.285 53.290 53.050 -0.074 0.000 0.917 150 N CB -0.414 38.049 38.487 -0.041 0.000 1.117 150 N HN 0.430 nan 8.380 nan 0.000 0.442 151 N N -1.043 117.716 118.700 0.099 0.000 2.754 151 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 151 N C -0.933 174.764 175.510 0.311 0.000 1.093 151 N CA 0.615 53.764 53.050 0.164 0.000 0.699 151 N CB -1.584 36.996 38.487 0.156 0.000 1.016 151 N HN 0.482 nan 8.380 nan 0.000 0.552 152 T N 0.882 115.606 114.554 0.284 0.000 2.814 152 T HA 0.113 4.463 4.350 -0.000 0.000 0.297 152 T C 1.695 176.554 174.700 0.265 0.000 0.956 152 T CA 0.058 62.356 62.100 0.330 0.000 1.123 152 T CB 1.444 70.429 68.868 0.196 0.000 0.902 152 T HN 0.177 nan 8.240 nan 0.000 0.528 153 Q N 2.022 121.979 119.800 0.262 0.000 2.123 153 Q HA 0.123 4.463 4.340 -0.000 0.000 0.196 153 Q C 0.281 176.452 176.000 0.285 0.000 0.958 153 Q CA 0.654 56.623 55.803 0.276 0.000 0.841 153 Q CB 0.595 29.486 28.738 0.256 0.000 0.915 153 Q HN 0.709 nan 8.270 nan 0.000 0.455 154 W N -0.174 121.115 121.300 -0.019 0.000 3.296 154 W HA 0.608 5.268 4.660 -0.001 0.000 0.314 154 W C -2.186 174.283 176.519 -0.083 0.000 1.238 154 W CA -0.853 56.438 57.345 -0.091 0.000 1.193 154 W CB 1.375 30.721 29.460 -0.191 0.000 1.383 154 W HN -0.060 nan 8.180 nan 0.000 0.545 155 I N 3.910 123.809 120.570 -1.119 0.000 2.752 155 I HA 0.560 4.730 4.170 -0.000 0.000 0.295 155 I C -1.487 174.017 176.117 -1.022 0.000 1.219 155 I CA -0.019 60.761 61.300 -0.866 0.000 1.030 155 I CB 2.539 39.970 38.000 -0.948 0.000 1.259 155 I HN 0.328 nan 8.210 nan 0.000 0.423 156 T N 4.957 119.248 114.554 -0.438 0.000 2.993 156 T HA 0.442 4.792 4.350 -0.000 0.000 0.312 156 T C -1.572 173.136 174.700 0.013 0.000 1.115 156 T CA -0.282 61.739 62.100 -0.132 0.000 1.027 156 T CB 0.575 69.629 68.868 0.312 0.000 1.116 156 T HN 0.522 nan 8.240 nan 0.000 0.464 157 W N 3.282 124.622 121.300 0.066 0.000 2.150 157 W HA 0.424 5.084 4.660 -0.000 0.000 0.341 157 W C 1.300 177.708 176.519 -0.184 0.000 1.276 157 W CA -0.574 56.759 57.345 -0.021 0.000 1.238 157 W CB 0.607 30.061 29.460 -0.010 0.000 1.128 157 W HN 0.804 nan 8.180 nan 0.000 0.581 158 S N 1.669 117.154 115.700 -0.359 0.000 2.584 158 S HA 0.141 4.611 4.470 -0.000 0.000 0.270 158 S C -1.826 172.600 174.600 -0.290 0.000 1.346 158 S CA -0.977 56.617 58.200 -1.009 0.000 1.018 158 S CB 0.974 63.347 63.200 -1.380 0.000 0.899 158 S HN 0.294 nan 8.310 nan 0.000 0.542 159 P HA 0.072 nan 4.420 nan 0.000 0.223 159 P C 0.255 177.527 177.300 -0.045 0.000 1.151 159 P CA 0.536 63.628 63.100 -0.013 0.000 0.787 159 P CB -0.186 31.539 31.700 0.040 0.000 0.788 160 V N -6.003 113.839 119.914 -0.121 0.000 2.914 160 V HA 0.893 5.013 4.120 -0.000 0.000 0.314 160 V C 0.570 176.570 176.094 -0.157 0.000 1.084 160 V CA -0.274 61.963 62.300 -0.105 0.000 0.963 160 V CB 0.951 32.724 31.823 -0.083 0.000 1.025 160 V HN 0.404 nan 8.190 nan 0.000 0.432 161 G N 2.517 111.245 108.800 -0.120 0.000 2.527 161 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.268 161 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.268 161 G C 0.305 175.145 174.900 -0.099 0.000 1.175 161 G CA 0.850 45.859 45.100 -0.152 0.000 0.962 161 G HN 2.511 nan 8.290 nan 0.000 0.560 162 H N -0.412 118.647 119.070 -0.018 0.000 3.038 162 H HA 0.381 4.937 4.556 -0.000 0.000 0.238 162 H C 0.201 175.677 175.328 0.248 0.000 1.246 162 H CA -0.147 55.945 56.048 0.074 0.000 0.966 162 H CB -0.124 29.728 29.762 0.151 0.000 2.394 162 H HN 0.500 nan 8.280 nan 0.000 0.633 163 K N 1.715 122.131 120.400 0.028 0.000 2.202 163 K HA 0.434 4.753 4.320 -0.000 0.000 0.264 163 K C -0.393 176.270 176.600 0.105 0.000 1.010 163 K CA -0.406 55.875 56.287 -0.010 0.000 0.940 163 K CB 1.876 34.201 32.500 -0.291 0.000 0.983 163 K HN 0.130 nan 8.250 nan 0.000 0.475 164 L N 1.140 122.435 121.223 0.120 0.000 2.381 164 L HA 0.533 4.872 4.340 -0.000 0.000 0.268 164 L C -0.780 176.274 176.870 0.307 0.000 0.997 164 L CA -0.776 54.107 54.840 0.073 0.000 0.818 164 L CB 2.101 44.057 42.059 -0.172 0.000 1.310 164 L HN 0.702 nan 8.230 nan 0.000 0.416 165 A N 2.593 125.625 122.820 0.353 0.000 2.356 165 A HA 0.828 5.148 4.320 -0.000 0.000 0.310 165 A C -1.591 176.060 177.584 0.111 0.000 1.075 165 A CA -0.383 51.775 52.037 0.201 0.000 0.746 165 A CB 1.143 20.212 19.000 0.114 0.000 1.221 165 A HN 0.648 nan 8.150 nan 0.000 0.443 166 Y N -0.477 119.814 120.300 -0.014 0.000 2.562 166 Y HA 0.730 5.280 4.550 -0.000 0.000 0.345 166 Y C -1.292 174.662 175.900 0.089 0.000 1.045 166 Y CA -1.577 56.500 58.100 -0.039 0.000 1.028 166 Y CB 1.155 39.521 38.460 -0.157 0.000 1.297 166 Y HN 0.369 nan 8.280 nan 0.000 0.463 167 V N 2.733 122.819 119.914 0.287 0.000 2.384 167 V HA 0.294 4.414 4.120 -0.000 0.000 0.287 167 V C -1.356 174.991 176.094 0.422 0.000 1.020 167 V CA -0.522 61.922 62.300 0.240 0.000 0.850 167 V CB 0.908 32.786 31.823 0.091 0.000 0.987 167 V HN 0.855 nan 8.190 nan 0.000 0.436 168 W N 5.174 126.633 121.300 0.266 0.000 2.781 168 W HA 0.490 5.150 4.660 -0.001 0.000 0.333 168 W C 0.351 176.969 176.519 0.165 0.000 1.047 168 W CA -0.917 56.546 57.345 0.196 0.000 1.236 168 W CB 1.213 30.753 29.460 0.132 0.000 1.394 168 W HN 0.764 nan 8.180 nan 0.000 0.466 169 N N 5.048 123.434 118.700 -0.524 0.000 2.727 169 N HA -0.348 4.391 4.740 -0.000 0.000 0.249 169 N C 0.083 175.446 175.510 -0.246 0.000 1.048 169 N CA 1.299 54.034 53.050 -0.525 0.000 0.714 169 N CB -1.191 36.766 38.487 -0.883 0.000 0.959 169 N HN 0.803 nan 8.380 nan 0.000 0.544 170 N N -2.389 116.231 118.700 -0.132 0.000 2.828 170 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 170 N C -1.383 174.048 175.510 -0.131 0.000 1.044 170 N CA 1.018 54.001 53.050 -0.111 0.000 0.851 170 N CB -0.272 38.094 38.487 -0.200 0.000 1.136 170 N HN 0.446 nan 8.380 nan 0.000 0.572 171 D N 0.418 120.747 120.400 -0.119 0.000 2.342 171 D HA 0.463 5.103 4.640 -0.000 0.000 0.243 171 D C 0.015 176.121 176.300 -0.324 0.000 1.019 171 D CA -0.376 53.452 54.000 -0.286 0.000 0.864 171 D CB 1.581 42.129 40.800 -0.419 0.000 1.315 171 D HN 0.022 nan 8.370 nan 0.000 0.468 172 I N 1.854 122.089 120.570 -0.557 0.000 2.365 172 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 172 I C -0.684 174.980 176.117 -0.755 0.000 1.004 172 I CA -0.368 60.610 61.300 -0.536 0.000 1.311 172 I CB 0.472 38.103 38.000 -0.615 0.000 1.401 172 I HN 0.138 nan 8.210 nan 0.000 0.491 173 Y N 4.550 124.475 120.300 -0.625 0.000 2.462 173 Y HA 0.595 5.145 4.550 -0.000 0.000 0.346 173 Y C -0.295 175.254 175.900 -0.584 0.000 0.976 173 Y CA -1.046 56.633 58.100 -0.703 0.000 1.044 173 Y CB 1.801 39.599 38.460 -1.103 0.000 1.230 173 Y HN 0.112 nan 8.280 nan 0.000 0.455 174 V N 3.551 123.369 119.914 -0.160 0.000 2.417 174 V HA 0.387 4.506 4.120 -0.000 0.000 0.291 174 V C -0.489 175.646 176.094 0.067 0.000 1.024 174 V CA -1.230 61.067 62.300 -0.005 0.000 0.861 174 V CB 1.544 33.395 31.823 0.046 0.000 0.985 174 V HN 0.622 nan 8.190 nan 0.000 0.436 175 K N 3.867 124.342 120.400 0.126 0.000 2.404 175 K HA 0.399 4.719 4.320 -0.000 0.000 0.257 175 K C 0.802 177.463 176.600 0.101 0.000 1.026 175 K CA -0.211 56.143 56.287 0.111 0.000 0.951 175 K CB 0.763 33.333 32.500 0.117 0.000 1.203 175 K HN 0.654 nan 8.250 nan 0.000 0.446 176 N N 1.491 120.243 118.700 0.087 0.000 2.188 176 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 176 N C -0.309 175.251 175.510 0.083 0.000 1.018 176 N CA 0.976 54.068 53.050 0.069 0.000 0.858 176 N CB 0.396 38.916 38.487 0.056 0.000 0.989 176 N HN 0.473 nan 8.380 nan 0.000 0.426 177 E N -0.812 119.429 120.200 0.069 0.000 2.293 177 E HA 0.188 4.538 4.350 -0.000 0.000 0.270 177 E C -2.037 174.519 176.600 -0.072 0.000 0.879 177 E CA -1.796 54.634 56.400 0.049 0.000 0.756 177 E CB 2.114 31.853 29.700 0.065 0.000 1.208 177 E HN -0.092 nan 8.360 nan 0.000 0.428 178 P HA -0.140 nan 4.420 nan 0.000 0.217 178 P C 0.745 177.951 177.300 -0.156 0.000 1.150 178 P CA 1.209 64.133 63.100 -0.295 0.000 0.832 178 P CB 0.248 31.540 31.700 -0.681 0.000 0.787 179 N N -1.348 117.284 118.700 -0.113 0.000 2.383 179 N HA 0.009 4.749 4.740 -0.000 0.000 0.192 179 N C 0.110 175.605 175.510 -0.024 0.000 1.141 179 N CA 0.465 53.489 53.050 -0.043 0.000 0.851 179 N CB 0.017 38.500 38.487 -0.007 0.000 0.976 179 N HN 0.116 nan 8.380 nan 0.000 0.465 180 L N 0.525 121.734 121.223 -0.023 0.000 2.313 180 L HA 0.333 4.673 4.340 -0.000 0.000 0.268 180 L C 0.636 177.505 176.870 -0.001 0.000 1.010 180 L CA -0.774 54.065 54.840 -0.002 0.000 0.814 180 L CB 1.578 43.647 42.059 0.016 0.000 1.304 180 L HN -0.030 nan 8.230 nan 0.000 0.441 181 S N 0.711 116.415 115.700 0.008 0.000 2.560 181 S HA 0.153 4.622 4.470 -0.000 0.000 0.284 181 S C 0.405 175.025 174.600 0.034 0.000 1.327 181 S CA -0.391 57.816 58.200 0.012 0.000 1.055 181 S CB 0.307 63.518 63.200 0.017 0.000 0.868 181 S HN 0.685 nan 8.310 nan 0.000 0.506 182 S N 3.356 119.083 115.700 0.046 0.000 2.603 182 S HA 0.395 4.864 4.470 -0.000 0.000 0.268 182 S C -0.419 174.233 174.600 0.086 0.000 1.317 182 S CA -0.634 57.617 58.200 0.086 0.000 1.012 182 S CB 0.997 64.284 63.200 0.146 0.000 0.926 182 S HN 0.812 nan 8.310 nan 0.000 0.539 183 Q N 0.563 120.405 119.800 0.070 0.000 2.333 183 Q HA 0.414 4.754 4.340 -0.000 0.000 0.268 183 Q C -0.664 175.312 176.000 -0.039 0.000 1.007 183 Q CA -0.485 55.342 55.803 0.041 0.000 0.810 183 Q CB 1.370 30.128 28.738 0.033 0.000 1.264 183 Q HN 0.754 nan 8.270 nan 0.000 0.452 184 R N 4.297 124.737 120.500 -0.100 0.000 2.442 184 R HA 0.164 4.504 4.340 -0.000 0.000 0.291 184 R C 0.232 176.323 176.300 -0.349 0.000 1.069 184 R CA 0.029 55.854 56.100 -0.459 0.000 1.022 184 R CB 0.449 30.363 30.300 -0.643 0.000 0.976 184 R HN 0.766 nan 8.270 nan 0.000 0.443 185 I N 1.759 122.027 120.570 -0.503 0.000 3.039 185 I HA 0.009 4.178 4.170 -0.000 0.000 0.270 185 I C 1.032 176.978 176.117 -0.284 0.000 1.150 185 I CA 0.845 61.952 61.300 -0.323 0.000 1.448 185 I CB -0.574 37.191 38.000 -0.393 0.000 1.197 185 I HN 0.646 nan 8.210 nan 0.000 0.450 186 T N -3.667 110.599 114.554 -0.479 0.000 2.908 186 T HA 0.405 4.755 4.350 -0.000 0.000 0.290 186 T C -0.557 173.909 174.700 -0.389 0.000 1.034 186 T CA -0.459 61.452 62.100 -0.315 0.000 1.010 186 T CB 2.083 70.712 68.868 -0.399 0.000 1.068 186 T HN 0.176 nan 8.240 nan 0.000 0.481 187 W N 0.129 121.307 121.300 -0.203 0.000 2.534 187 W HA 0.228 4.888 4.660 0.000 0.000 0.339 187 W C 1.948 178.400 176.519 -0.111 0.000 0.961 187 W CA -0.079 57.181 57.345 -0.142 0.000 1.545 187 W CB 0.245 29.642 29.460 -0.106 0.000 1.104 187 W HN 0.923 nan 8.180 nan 0.000 0.538 188 T N -2.813 111.770 114.554 0.048 0.000 3.065 188 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 188 T C 1.352 176.031 174.700 -0.035 0.000 1.099 188 T CA 0.272 62.384 62.100 0.020 0.000 1.063 188 T CB -0.224 68.658 68.868 0.023 0.000 0.948 188 T HN 0.016 nan 8.240 nan 0.000 0.506 189 G N 1.647 110.394 108.800 -0.089 0.000 2.192 189 G HA2 0.303 4.263 3.960 -0.000 0.000 0.258 189 G HA3 0.303 4.263 3.960 -0.000 0.000 0.258 189 G C -0.519 174.298 174.900 -0.138 0.000 1.185 189 G CA -0.266 44.754 45.100 -0.135 0.000 0.976 189 G HN 0.548 nan 8.290 nan 0.000 0.446 190 K N 2.183 122.480 120.400 -0.172 0.000 2.482 190 K HA 0.238 4.557 4.320 -0.000 0.000 0.251 190 K C 0.067 176.528 176.600 -0.232 0.000 0.936 190 K CA -0.718 55.474 56.287 -0.160 0.000 0.791 190 K CB 1.606 34.047 32.500 -0.099 0.000 1.213 190 K HN 0.504 nan 8.250 nan 0.000 0.428 191 E N 2.884 122.974 120.200 -0.184 0.000 2.585 191 E HA -0.156 4.194 4.350 -0.000 0.000 0.252 191 E C -0.519 176.003 176.600 -0.130 0.000 0.981 191 E CA 1.049 57.351 56.400 -0.164 0.000 0.943 191 E CB -0.031 29.605 29.700 -0.107 0.000 0.923 191 E HN 0.800 nan 8.360 nan 0.000 0.486 192 N N 1.564 120.188 118.700 -0.128 0.000 2.828 192 N HA -0.254 4.485 4.740 -0.000 0.000 0.248 192 N C 0.139 175.674 175.510 0.042 0.000 1.044 192 N CA 0.447 53.523 53.050 0.043 0.000 0.851 192 N CB -0.429 38.102 38.487 0.074 0.000 1.136 192 N HN 0.229 nan 8.380 nan 0.000 0.572 193 V N -0.951 118.893 119.914 -0.118 0.000 3.442 193 V HA 0.288 4.408 4.120 -0.000 0.000 0.205 193 V C 0.291 176.386 176.094 0.001 0.000 1.320 193 V CA 0.368 62.665 62.300 -0.006 0.000 1.306 193 V CB 0.687 32.500 31.823 -0.017 0.000 1.267 193 V HN 0.092 nan 8.190 nan 0.000 0.538 194 I N 0.870 121.345 120.570 -0.159 0.000 2.433 194 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 194 I C -1.545 174.447 176.117 -0.208 0.000 1.001 194 I CA -0.346 60.925 61.300 -0.049 0.000 1.119 194 I CB 1.315 39.305 38.000 -0.016 0.000 1.289 194 I HN 0.262 nan 8.210 nan 0.000 0.438 195 Y N 4.424 124.807 120.300 0.137 0.000 2.338 195 Y HA 0.373 4.923 4.550 -0.000 0.000 0.328 195 Y C 0.234 176.210 175.900 0.127 0.000 0.965 195 Y CA -0.792 57.395 58.100 0.145 0.000 1.208 195 Y CB 1.148 39.752 38.460 0.239 0.000 1.132 195 Y HN 0.420 nan 8.280 nan 0.000 0.469 196 N N 2.287 121.059 118.700 0.119 0.000 2.425 196 N HA 0.343 5.083 4.740 -0.000 0.000 0.268 196 N C 0.868 176.343 175.510 -0.057 0.000 0.991 196 N CA 0.423 53.478 53.050 0.009 0.000 0.931 196 N CB 1.876 40.235 38.487 -0.213 0.000 1.130 196 N HN 1.000 nan 8.380 nan 0.000 0.493 197 G N 0.556 109.361 108.800 0.008 0.000 2.184 197 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.264 197 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.264 197 G C 0.032 174.830 174.900 -0.170 0.000 0.975 197 G CA 0.800 45.837 45.100 -0.105 0.000 0.642 197 G HN 0.655 nan 8.290 nan 0.000 0.536 198 V N -2.050 117.815 119.914 -0.082 0.000 3.007 198 V HA 0.912 5.032 4.120 -0.000 0.000 0.311 198 V C 0.414 176.469 176.094 -0.065 0.000 1.120 198 V CA -0.187 61.931 62.300 -0.303 0.000 0.980 198 V CB 1.424 32.820 31.823 -0.713 0.000 1.033 198 V HN 1.019 nan 8.190 nan 0.000 0.429 199 T N 0.293 114.693 114.554 -0.257 0.000 2.868 199 T HA 0.397 4.747 4.350 -0.000 0.000 0.292 199 T C -0.058 174.293 174.700 -0.583 0.000 1.028 199 T CA -0.172 61.549 62.100 -0.633 0.000 1.059 199 T CB 0.814 69.386 68.868 -0.494 0.000 0.991 199 T HN 1.073 nan 8.240 nan 0.000 0.531 200 D N 0.421 120.221 120.400 -1.000 0.000 2.447 200 D HA 0.002 4.642 4.640 -0.000 0.000 0.265 200 D C 0.986 177.107 176.300 -0.298 0.000 1.250 200 D CA -1.049 52.418 54.000 -0.889 0.000 1.046 200 D CB 0.151 40.463 40.800 -0.813 0.000 1.095 200 D HN 0.710 nan 8.370 nan 0.000 0.555 201 W N 0.175 121.324 121.300 -0.251 0.000 2.315 201 W HA -0.244 4.416 4.660 -0.001 0.000 0.323 201 W C 2.274 178.636 176.519 -0.261 0.000 1.233 201 W CA 2.425 59.636 57.345 -0.225 0.000 1.267 201 W CB -0.512 28.762 29.460 -0.309 0.000 1.160 201 W HN 0.190 nan 8.180 nan 0.000 0.474 202 V N -0.219 119.748 119.914 0.089 0.000 2.427 202 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 202 V C 1.888 177.787 176.094 -0.325 0.000 1.051 202 V CA 2.061 64.314 62.300 -0.078 0.000 1.048 202 V CB -0.756 30.975 31.823 -0.154 0.000 0.666 202 V HN 0.306 nan 8.190 nan 0.000 0.456 203 Y N 0.430 120.457 120.300 -0.454 0.000 2.293 203 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 203 Y C 2.588 178.214 175.900 -0.457 0.000 1.137 203 Y CA 2.049 59.803 58.100 -0.577 0.000 1.202 203 Y CB -0.042 37.813 38.460 -1.007 0.000 0.990 203 Y HN 0.358 nan 8.280 nan 0.000 0.537 204 E N 0.277 120.323 120.200 -0.257 0.000 2.031 204 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 204 E C 2.013 178.531 176.600 -0.137 0.000 0.994 204 E CA 1.539 57.856 56.400 -0.138 0.000 0.800 204 E CB 0.021 29.666 29.700 -0.093 0.000 0.752 204 E HN 0.413 nan 8.360 nan 0.000 0.447 205 E N 0.207 120.178 120.200 -0.382 0.000 2.046 205 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 205 E C 1.712 178.224 176.600 -0.147 0.000 0.982 205 E CA 1.554 57.742 56.400 -0.352 0.000 0.800 205 E CB 0.167 29.368 29.700 -0.831 0.000 0.756 205 E HN 0.206 nan 8.360 nan 0.000 0.449 206 E N -0.861 119.230 120.200 -0.183 0.000 2.372 206 E HA 0.090 4.439 4.350 -0.000 0.000 0.201 206 E C 1.850 178.390 176.600 -0.100 0.000 0.938 206 E CA 0.439 56.782 56.400 -0.096 0.000 0.944 206 E CB 0.813 30.436 29.700 -0.129 0.000 0.937 206 E HN 0.194 nan 8.360 nan 0.000 0.495 207 V N 0.215 120.035 119.914 -0.157 0.000 2.784 207 V HA 0.011 4.131 4.120 -0.000 0.000 0.231 207 V C 1.780 178.030 176.094 0.261 0.000 1.128 207 V CA 0.648 62.918 62.300 -0.050 0.000 1.178 207 V CB -0.358 31.287 31.823 -0.298 0.000 0.943 207 V HN 0.022 nan 8.190 nan 0.000 0.500 208 F N 0.767 120.720 119.950 0.005 0.000 2.367 208 F HA 0.207 4.734 4.527 -0.000 0.000 0.298 208 F C 1.948 177.706 175.800 -0.070 0.000 1.094 208 F CA 0.638 58.653 58.000 0.025 0.000 1.409 208 F CB -0.758 38.279 39.000 0.062 0.000 1.064 208 F HN 0.248 nan 8.300 nan 0.000 0.528 209 S N -0.267 115.467 115.700 0.056 0.000 3.581 209 S HA -0.036 4.434 4.470 -0.000 0.000 0.354 209 S C -0.076 174.145 174.600 -0.632 0.000 1.059 209 S CA 0.363 58.449 58.200 -0.189 0.000 1.060 209 S CB -1.418 61.742 63.200 -0.066 0.000 0.908 209 S HN 0.738 nan 8.310 nan 0.000 0.475 210 A N -0.216 122.389 122.820 -0.360 0.000 2.586 210 A HA 0.646 4.966 4.320 -0.000 0.000 0.291 210 A C -0.355 177.246 177.584 0.027 0.000 1.062 210 A CA -0.109 51.778 52.037 -0.250 0.000 0.666 210 A CB 0.078 18.996 19.000 -0.136 0.000 1.281 210 A HN 0.593 nan 8.150 nan 0.000 0.421 211 Y N 1.630 121.846 120.300 -0.139 0.000 2.347 211 Y HA 0.129 4.679 4.550 -0.000 0.000 0.294 211 Y C 1.642 177.369 175.900 -0.289 0.000 1.117 211 Y CA 0.880 58.895 58.100 -0.142 0.000 1.184 211 Y CB -0.094 38.324 38.460 -0.070 0.000 1.047 211 Y HN 0.753 nan 8.280 nan 0.000 0.546 212 S N 0.671 115.969 115.700 -0.669 0.000 2.549 212 S HA 0.486 4.956 4.470 -0.000 0.000 0.279 212 S C 0.283 174.553 174.600 -0.550 0.000 1.321 212 S CA -0.135 57.403 58.200 -1.102 0.000 1.054 212 S CB 1.372 63.284 63.200 -2.148 0.000 0.899 212 S HN 0.428 nan 8.310 nan 0.000 0.497 213 A N 3.687 126.183 122.820 -0.541 0.000 2.956 213 A HA 0.588 4.908 4.320 -0.000 0.000 0.294 213 A C -0.370 176.564 177.584 -1.083 0.000 0.993 213 A CA -0.609 51.138 52.037 -0.483 0.000 1.032 213 A CB -0.183 18.959 19.000 0.236 0.000 1.129 213 A HN 0.806 nan 8.150 nan 0.000 0.505 214 L N 0.348 120.753 121.223 -1.364 0.000 2.386 214 L HA 0.625 4.964 4.340 -0.000 0.000 0.271 214 L C -1.242 175.076 176.870 -0.920 0.000 0.993 214 L CA -0.546 53.775 54.840 -0.865 0.000 0.819 214 L CB 2.048 43.895 42.059 -0.353 0.000 1.294 214 L HN 0.478 nan 8.230 nan 0.000 0.414 215 W N 2.504 123.891 121.300 0.144 0.000 2.664 215 W HA 0.198 4.858 4.660 -0.001 0.000 0.314 215 W C -1.154 175.620 176.519 0.425 0.000 1.010 215 W CA -1.113 56.429 57.345 0.329 0.000 1.306 215 W CB 0.937 30.622 29.460 0.374 0.000 1.254 215 W HN 0.488 nan 8.180 nan 0.000 0.404 216 W N 2.657 124.189 121.300 0.386 0.000 2.193 216 W HA 0.165 4.825 4.660 -0.000 0.000 0.338 216 W C 1.429 177.779 176.519 -0.282 0.000 1.310 216 W CA 0.635 58.062 57.345 0.137 0.000 1.243 216 W CB 0.728 30.239 29.460 0.086 0.000 1.165 216 W HN 0.194 nan 8.180 nan 0.000 0.566 217 S N 3.063 118.463 115.700 -0.500 0.000 2.579 217 S HA 0.119 4.589 4.470 -0.000 0.000 0.275 217 S C -1.712 172.629 174.600 -0.432 0.000 1.345 217 S CA -1.022 56.355 58.200 -1.372 0.000 1.031 217 S CB 1.076 63.535 63.200 -1.236 0.000 0.892 217 S HN 0.304 nan 8.310 nan 0.000 0.529 218 P HA -0.091 nan 4.420 nan 0.000 0.218 218 P C 0.754 178.025 177.300 -0.049 0.000 1.146 218 P CA 1.192 64.257 63.100 -0.060 0.000 0.813 218 P CB -0.031 31.682 31.700 0.020 0.000 0.778 219 N N -1.996 116.658 118.700 -0.077 0.000 2.204 219 N HA 0.069 4.809 4.740 -0.000 0.000 0.219 219 N C 0.749 176.196 175.510 -0.106 0.000 1.151 219 N CA 0.539 53.546 53.050 -0.072 0.000 0.867 219 N CB 0.263 38.722 38.487 -0.046 0.000 1.043 219 N HN 0.004 nan 8.380 nan 0.000 0.516 220 G N 0.537 109.284 108.800 -0.088 0.000 2.162 220 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.260 220 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.260 220 G C 0.944 175.891 174.900 0.078 0.000 0.976 220 G CA 1.067 46.138 45.100 -0.050 0.000 0.655 220 G HN 0.381 nan 8.290 nan 0.000 0.533 221 T N -0.197 114.309 114.554 -0.080 0.000 2.737 221 T HA 0.192 4.542 4.350 -0.000 0.000 0.265 221 T C 0.785 175.267 174.700 -0.363 0.000 1.038 221 T CA 1.351 63.260 62.100 -0.318 0.000 1.144 221 T CB -0.074 68.433 68.868 -0.601 0.000 0.866 221 T HN 0.308 nan 8.240 nan 0.000 0.434 222 F N 0.369 120.371 119.950 0.087 0.000 2.480 222 F HA 0.621 5.148 4.527 -0.001 0.000 0.329 222 F C -0.302 175.561 175.800 0.104 0.000 1.091 222 F CA -1.634 56.447 58.000 0.134 0.000 0.972 222 F CB 1.233 40.376 39.000 0.238 0.000 1.150 222 F HN -0.106 nan 8.300 nan 0.000 0.467 223 L N 3.140 124.471 121.223 0.180 0.000 2.316 223 L HA 0.816 5.156 4.340 -0.000 0.000 0.280 223 L C -0.575 176.372 176.870 0.127 0.000 1.006 223 L CA -0.435 54.323 54.840 -0.137 0.000 0.836 223 L CB 0.714 42.376 42.059 -0.662 0.000 1.221 223 L HN 0.679 nan 8.230 nan 0.000 0.418 224 A N 4.950 127.943 122.820 0.287 0.000 2.306 224 A HA 0.725 5.044 4.320 -0.000 0.000 0.314 224 A C -1.327 176.395 177.584 0.230 0.000 1.164 224 A CA -0.291 51.843 52.037 0.162 0.000 0.822 224 A CB 0.485 19.654 19.000 0.281 0.000 1.130 224 A HN 0.857 nan 8.150 nan 0.000 0.496 225 Y N -0.929 119.271 120.300 -0.168 0.000 2.597 225 Y HA 0.778 5.327 4.550 -0.001 0.000 0.340 225 Y C -0.350 175.527 175.900 -0.038 0.000 1.097 225 Y CA -1.007 57.054 58.100 -0.064 0.000 1.037 225 Y CB 1.061 39.425 38.460 -0.159 0.000 1.305 225 Y HN 0.886 nan 8.280 nan 0.000 0.463 226 A N 2.460 125.422 122.820 0.237 0.000 2.324 226 A HA 0.600 4.920 4.320 -0.000 0.000 0.330 226 A C -1.148 176.350 177.584 -0.144 0.000 1.165 226 A CA -0.845 51.171 52.037 -0.034 0.000 0.813 226 A CB 1.566 20.557 19.000 -0.015 0.000 1.197 226 A HN 0.810 nan 8.150 nan 0.000 0.484 227 Q N 1.375 121.008 119.800 -0.278 0.000 2.316 227 Q HA 0.603 4.943 4.340 -0.000 0.000 0.264 227 Q C -2.026 173.719 176.000 -0.425 0.000 0.987 227 Q CA -0.371 55.362 55.803 -0.116 0.000 0.852 227 Q CB 0.969 29.852 28.738 0.241 0.000 1.287 227 Q HN 0.600 nan 8.270 nan 0.000 0.448 228 F N 2.757 122.785 119.950 0.131 0.000 2.426 228 F HA 0.353 4.880 4.527 -0.000 0.000 0.348 228 F C 0.399 176.328 175.800 0.215 0.000 1.124 228 F CA -0.925 57.128 58.000 0.087 0.000 1.008 228 F CB 1.300 40.266 39.000 -0.057 0.000 1.139 228 F HN 0.421 nan 8.300 nan 0.000 0.452 229 N N 2.518 121.400 118.700 0.304 0.000 2.437 229 N HA 0.169 4.908 4.740 -0.000 0.000 0.259 229 N C -0.793 174.864 175.510 0.246 0.000 0.983 229 N CA -0.149 53.047 53.050 0.242 0.000 0.937 229 N CB 1.115 39.693 38.487 0.151 0.000 1.122 229 N HN 0.628 nan 8.380 nan 0.000 0.499 230 D N 1.638 122.199 120.400 0.269 0.000 2.424 230 D HA 0.140 4.780 4.640 -0.000 0.000 0.220 230 D C 1.141 177.535 176.300 0.157 0.000 1.150 230 D CA 0.074 54.214 54.000 0.233 0.000 0.831 230 D CB 0.630 41.625 40.800 0.325 0.000 0.981 230 D HN 0.474 nan 8.370 nan 0.000 0.500 231 T N 0.192 114.820 114.554 0.123 0.000 2.653 231 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 231 T C 1.380 176.121 174.700 0.068 0.000 1.035 231 T CA 1.304 63.453 62.100 0.082 0.000 1.154 231 T CB -0.033 68.874 68.868 0.064 0.000 0.862 231 T HN 0.314 nan 8.240 nan 0.000 0.441 232 E N 0.325 120.567 120.200 0.070 0.000 2.481 232 E HA 0.147 4.497 4.350 -0.000 0.000 0.198 232 E C -0.320 176.316 176.600 0.059 0.000 1.027 232 E CA -0.203 56.230 56.400 0.054 0.000 0.900 232 E CB 0.545 30.272 29.700 0.044 0.000 0.993 232 E HN 0.220 nan 8.360 nan 0.000 0.482 233 V N 3.970 123.930 119.914 0.078 0.000 2.470 233 V HA 0.088 4.208 4.120 -0.000 0.000 0.276 233 V C -2.041 174.094 176.094 0.068 0.000 1.040 233 V CA -1.465 60.883 62.300 0.079 0.000 1.008 233 V CB 0.117 32.000 31.823 0.100 0.000 0.990 233 V HN 0.014 nan 8.190 nan 0.000 0.477 234 P HA 0.200 nan 4.420 nan 0.000 0.270 234 P C -0.676 176.647 177.300 0.039 0.000 1.223 234 P CA -0.173 62.952 63.100 0.041 0.000 0.785 234 P CB 0.476 32.200 31.700 0.040 0.000 0.923 235 L N 2.277 123.503 121.223 0.005 0.000 2.295 235 L HA 0.419 4.758 4.340 -0.000 0.000 0.285 235 L C 0.453 177.270 176.870 -0.089 0.000 1.035 235 L CA -0.914 53.912 54.840 -0.025 0.000 0.806 235 L CB 0.860 42.900 42.059 -0.032 0.000 1.214 235 L HN 0.293 nan 8.230 nan 0.000 0.426 236 I N 3.004 123.477 120.570 -0.161 0.000 2.441 236 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 236 I C -0.179 175.783 176.117 -0.259 0.000 1.049 236 I CA 0.472 61.576 61.300 -0.327 0.000 1.381 236 I CB 0.444 37.978 38.000 -0.777 0.000 1.409 236 I HN 0.579 nan 8.210 nan 0.000 0.523 237 E N 7.709 127.778 120.200 -0.219 0.000 2.222 237 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 237 E C -1.721 174.809 176.600 -0.116 0.000 0.884 237 E CA -0.636 55.637 56.400 -0.211 0.000 0.764 237 E CB 2.023 31.628 29.700 -0.158 0.000 1.169 237 E HN 0.583 nan 8.360 nan 0.000 0.413 238 Y N -1.876 118.326 120.300 -0.163 0.000 2.609 238 Y HA 0.498 5.048 4.550 -0.000 0.000 0.336 238 Y C -0.727 175.092 175.900 -0.135 0.000 1.129 238 Y CA -1.248 56.765 58.100 -0.145 0.000 1.040 238 Y CB 0.896 39.276 38.460 -0.135 0.000 1.310 238 Y HN 0.202 nan 8.280 nan 0.000 0.460 239 S N 2.243 117.921 115.700 -0.036 0.000 2.548 239 S HA 0.395 4.865 4.470 -0.000 0.000 0.277 239 S C -1.301 173.137 174.600 -0.270 0.000 1.315 239 S CA -0.319 57.699 58.200 -0.302 0.000 1.050 239 S CB 0.134 62.980 63.200 -0.590 0.000 0.918 239 S HN 0.532 nan 8.310 nan 0.000 0.497 240 F N 2.868 122.566 119.950 -0.420 0.000 2.477 240 F HA 0.415 4.942 4.527 -0.000 0.000 0.335 240 F C -0.151 175.451 175.800 -0.330 0.000 1.130 240 F CA -0.802 57.045 58.000 -0.255 0.000 0.948 240 F CB 0.775 39.749 39.000 -0.043 0.000 1.154 240 F HN 0.665 nan 8.300 nan 0.000 0.439 241 Y N 2.689 122.804 120.300 -0.309 0.000 2.448 241 Y HA 0.102 4.652 4.550 -0.000 0.000 0.289 241 Y C 1.717 177.566 175.900 -0.085 0.000 1.114 241 Y CA 1.068 59.069 58.100 -0.165 0.000 1.235 241 Y CB -0.516 37.820 38.460 -0.206 0.000 1.045 241 Y HN 0.741 nan 8.280 nan 0.000 0.554 242 S N -0.092 115.573 115.700 -0.058 0.000 3.307 242 S HA -0.329 4.141 4.470 -0.000 0.000 0.634 242 S C -0.119 174.543 174.600 0.104 0.000 2.711 242 S CA 0.286 58.593 58.200 0.179 0.000 2.940 242 S CB -1.329 62.066 63.200 0.326 0.000 0.331 242 S HN 0.615 nan 8.310 nan 0.000 1.766 243 D N 0.793 121.268 120.400 0.124 0.000 2.419 243 D HA 0.188 4.828 4.640 -0.000 0.000 0.236 243 D C 1.454 177.790 176.300 0.060 0.000 1.165 243 D CA 0.935 54.983 54.000 0.081 0.000 0.882 243 D CB 0.365 41.213 40.800 0.079 0.000 1.201 243 D HN 0.494 nan 8.370 nan 0.000 0.443 244 E N 0.334 120.557 120.200 0.037 0.000 2.171 244 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 244 E C 1.896 178.511 176.600 0.025 0.000 0.997 244 E CA 1.348 57.761 56.400 0.021 0.000 0.810 244 E CB -0.005 29.701 29.700 0.009 0.000 0.738 244 E HN 0.579 nan 8.360 nan 0.000 0.467 245 S N 0.538 116.258 115.700 0.034 0.000 2.442 245 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 245 S C 1.098 175.725 174.600 0.045 0.000 1.007 245 S CA 0.280 58.501 58.200 0.035 0.000 0.965 245 S CB -0.150 63.073 63.200 0.038 0.000 0.773 245 S HN 0.171 nan 8.310 nan 0.000 0.504 246 L N 2.556 123.815 121.223 0.060 0.000 2.485 246 L HA 0.111 4.451 4.340 -0.000 0.000 0.279 246 L C 1.674 178.581 176.870 0.062 0.000 1.124 246 L CA 0.110 54.998 54.840 0.079 0.000 0.888 246 L CB 0.763 42.883 42.059 0.102 0.000 1.217 246 L HN 0.483 nan 8.230 nan 0.000 0.464 247 Q N 4.178 124.019 119.800 0.068 0.000 2.079 247 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 247 Q C -0.556 175.361 176.000 -0.138 0.000 0.974 247 Q CA 1.428 57.218 55.803 -0.022 0.000 0.840 247 Q CB 0.203 28.957 28.738 0.026 0.000 0.898 247 Q HN 0.569 nan 8.270 nan 0.000 0.430 248 Y N 0.661 120.975 120.300 0.023 0.000 2.352 248 Y HA 0.399 4.949 4.550 -0.000 0.000 0.339 248 Y C -2.074 173.837 175.900 0.017 0.000 0.992 248 Y CA -3.020 55.090 58.100 0.016 0.000 1.100 248 Y CB 1.316 39.777 38.460 0.002 0.000 1.192 248 Y HN 0.153 nan 8.280 nan 0.000 0.458 249 P HA 0.156 nan 4.420 nan 0.000 0.275 249 P C -1.146 176.160 177.300 0.009 0.000 1.228 249 P CA -0.738 62.381 63.100 0.031 0.000 0.786 249 P CB 0.636 32.292 31.700 -0.073 0.000 0.927 250 K N 0.006 120.400 120.400 -0.011 0.000 2.110 250 K HA 0.561 4.881 4.320 -0.000 0.000 0.263 250 K C -0.739 175.807 176.600 -0.089 0.000 0.975 250 K CA -0.670 55.602 56.287 -0.024 0.000 0.895 250 K CB 0.452 32.955 32.500 0.004 0.000 1.060 250 K HN 0.192 nan 8.250 nan 0.000 0.448 251 T N 1.970 116.456 114.554 -0.112 0.000 2.728 251 T HA 0.176 4.526 4.350 -0.000 0.000 0.296 251 T C -0.070 174.494 174.700 -0.228 0.000 0.940 251 T CA -0.748 61.246 62.100 -0.177 0.000 1.013 251 T CB 0.857 69.638 68.868 -0.146 0.000 0.912 251 T HN 0.360 nan 8.240 nan 0.000 0.484 252 V N 5.375 125.054 119.914 -0.392 0.000 2.530 252 V HA 0.337 4.457 4.120 -0.000 0.000 0.282 252 V C 0.557 176.373 176.094 -0.464 0.000 1.048 252 V CA -0.363 61.664 62.300 -0.454 0.000 0.997 252 V CB 0.590 32.017 31.823 -0.659 0.000 0.987 252 V HN 0.723 nan 8.190 nan 0.000 0.477 253 R N 5.305 125.669 120.500 -0.226 0.000 2.409 253 R HA 0.670 5.010 4.340 -0.000 0.000 0.313 253 R C -1.280 174.998 176.300 -0.037 0.000 0.953 253 R CA -0.449 55.562 56.100 -0.150 0.000 0.849 253 R CB 1.675 31.919 30.300 -0.094 0.000 1.171 253 R HN 0.621 nan 8.270 nan 0.000 0.458 254 I N 3.447 123.982 120.570 -0.059 0.000 2.436 254 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 254 I C -2.301 173.833 176.117 0.028 0.000 1.010 254 I CA -2.840 58.473 61.300 0.021 0.000 1.098 254 I CB 2.251 40.180 38.000 -0.117 0.000 1.266 254 I HN 0.243 nan 8.210 nan 0.000 0.434 255 P HA 0.014 nan 4.420 nan 0.000 0.264 255 P C -1.396 175.968 177.300 0.107 0.000 1.236 255 P CA 0.346 63.519 63.100 0.122 0.000 0.811 255 P CB -0.183 31.633 31.700 0.193 0.000 0.840 256 Y N 6.690 126.939 120.300 -0.085 0.000 2.322 256 Y HA 0.416 4.966 4.550 -0.001 0.000 0.324 256 Y C -2.689 173.164 175.900 -0.078 0.000 1.027 256 Y CA -3.042 54.959 58.100 -0.164 0.000 1.179 256 Y CB 1.793 40.056 38.460 -0.330 0.000 1.136 256 Y HN 0.268 nan 8.280 nan 0.000 0.449 257 P HA 0.259 nan 4.420 nan 0.000 0.287 257 P C -0.967 176.334 177.300 0.002 0.000 1.307 257 P CA -0.175 62.919 63.100 -0.010 0.000 0.777 257 P CB 1.212 32.892 31.700 -0.033 0.000 0.883 258 K N 1.925 122.431 120.400 0.176 0.000 2.098 258 K HA 0.564 4.884 4.320 -0.000 0.000 0.244 258 K C 0.437 177.126 176.600 0.149 0.000 1.014 258 K CA -0.834 55.588 56.287 0.225 0.000 0.917 258 K CB 0.652 33.317 32.500 0.275 0.000 1.072 258 K HN 0.432 nan 8.250 nan 0.000 0.477 259 A N 0.764 123.701 122.820 0.194 0.000 2.573 259 A HA 0.240 4.560 4.320 -0.000 0.000 0.250 259 A C 1.194 178.816 177.584 0.063 0.000 1.049 259 A CA 1.140 53.277 52.037 0.167 0.000 0.767 259 A CB -1.316 17.856 19.000 0.286 0.000 0.965 259 A HN 0.914 nan 8.150 nan 0.000 0.514 260 G N 1.000 109.824 108.800 0.041 0.000 2.205 260 G HA2 0.096 4.056 3.960 -0.000 0.000 0.261 260 G HA3 0.096 4.056 3.960 -0.000 0.000 0.261 260 G C 0.706 175.615 174.900 0.014 0.000 0.980 260 G CA 0.812 45.911 45.100 -0.000 0.000 0.632 260 G HN 2.223 nan 8.290 nan 0.000 0.533 261 A N -0.178 122.665 122.820 0.039 0.000 2.280 261 A HA 0.667 4.987 4.320 -0.000 0.000 0.268 261 A C 0.536 178.142 177.584 0.037 0.000 1.111 261 A CA 0.603 52.665 52.037 0.041 0.000 0.814 261 A CB 0.267 19.305 19.000 0.062 0.000 1.093 261 A HN 0.708 nan 8.150 nan 0.000 0.498 262 E N 0.570 120.792 120.200 0.037 0.000 2.417 262 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 262 E C -0.349 176.284 176.600 0.055 0.000 1.000 262 E CA 0.287 56.710 56.400 0.038 0.000 0.919 262 E CB 0.092 29.814 29.700 0.037 0.000 0.955 262 E HN 0.547 nan 8.360 nan 0.000 0.455 263 N N 4.121 122.857 118.700 0.060 0.000 2.482 263 N HA 0.403 5.142 4.740 -0.000 0.000 0.279 263 N C -2.511 173.073 175.510 0.124 0.000 1.182 263 N CA -1.854 51.255 53.050 0.098 0.000 0.969 263 N CB 0.732 39.290 38.487 0.119 0.000 1.201 263 N HN 0.356 nan 8.380 nan 0.000 0.523 264 P HA 0.072 nan 4.420 nan 0.000 0.271 264 P C -0.408 177.036 177.300 0.239 0.000 1.216 264 P CA -0.115 63.126 63.100 0.235 0.000 0.776 264 P CB 0.190 32.078 31.700 0.312 0.000 0.881 265 T N -0.239 114.417 114.554 0.170 0.000 2.902 265 T HA 0.514 4.864 4.350 -0.000 0.000 0.280 265 T C -0.061 174.722 174.700 0.138 0.000 0.992 265 T CA -0.755 61.404 62.100 0.099 0.000 1.015 265 T CB 1.378 70.269 68.868 0.040 0.000 1.044 265 T HN 0.300 nan 8.240 nan 0.000 0.520 266 V N 0.517 120.479 119.914 0.081 0.000 2.876 266 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 266 V C -1.405 174.705 176.094 0.026 0.000 1.085 266 V CA -0.955 61.344 62.300 -0.002 0.000 0.945 266 V CB 2.181 34.024 31.823 0.035 0.000 1.017 266 V HN 1.021 nan 8.190 nan 0.000 0.428 267 K N 4.698 125.041 120.400 -0.095 0.000 2.378 267 K HA 0.529 4.849 4.320 -0.000 0.000 0.252 267 K C -1.699 174.744 176.600 -0.261 0.000 0.931 267 K CA -0.343 55.840 56.287 -0.174 0.000 0.794 267 K CB 2.450 34.815 32.500 -0.224 0.000 1.181 267 K HN 0.568 nan 8.250 nan 0.000 0.425 268 F N 3.594 123.286 119.950 -0.429 0.000 2.427 268 F HA 0.537 5.064 4.527 -0.000 0.000 0.346 268 F C -1.309 174.067 175.800 -0.707 0.000 1.120 268 F CA -0.633 57.114 58.000 -0.420 0.000 1.033 268 F CB 0.586 39.465 39.000 -0.202 0.000 1.126 268 F HN 0.373 nan 8.300 nan 0.000 0.462 269 F N 4.643 123.908 119.950 -1.141 0.000 2.546 269 F HA 0.648 5.175 4.527 -0.000 0.000 0.320 269 F C -0.823 174.420 175.800 -0.927 0.000 1.076 269 F CA -1.166 56.294 58.000 -0.899 0.000 0.928 269 F CB 2.070 40.440 39.000 -1.050 0.000 1.189 269 F HN 0.054 nan 8.300 nan 0.000 0.465 270 V N 3.710 123.480 119.914 -0.239 0.000 2.378 270 V HA 0.401 4.521 4.120 -0.000 0.000 0.288 270 V C -0.578 175.643 176.094 0.211 0.000 1.016 270 V CA -0.813 61.414 62.300 -0.121 0.000 0.840 270 V CB 1.494 33.051 31.823 -0.443 0.000 0.994 270 V HN 0.492 nan 8.190 nan 0.000 0.431 271 V N 3.819 123.893 119.914 0.266 0.000 2.383 271 V HA 0.286 4.406 4.120 -0.000 0.000 0.275 271 V C 0.165 176.506 176.094 0.412 0.000 1.036 271 V CA -0.463 62.020 62.300 0.304 0.000 0.889 271 V CB 1.659 33.599 31.823 0.196 0.000 0.985 271 V HN 0.862 nan 8.190 nan 0.000 0.459 272 D N 3.916 124.585 120.400 0.448 0.000 2.344 272 D HA 0.036 4.676 4.640 -0.000 0.000 0.253 272 D C 1.413 177.794 176.300 0.134 0.000 1.255 272 D CA 0.198 54.397 54.000 0.331 0.000 0.894 272 D CB 1.601 42.627 40.800 0.377 0.000 1.067 272 D HN 0.749 nan 8.370 nan 0.000 0.492 273 T N 1.315 115.901 114.554 0.055 0.000 3.085 273 T HA -0.012 4.337 4.350 -0.000 0.000 0.263 273 T C 1.702 176.428 174.700 0.043 0.000 1.127 273 T CA 0.357 62.502 62.100 0.075 0.000 1.103 273 T CB 0.089 69.057 68.868 0.166 0.000 0.921 273 T HN 0.300 nan 8.240 nan 0.000 0.510 274 R N 1.404 121.897 120.500 -0.011 0.000 2.120 274 R HA -0.033 4.306 4.340 -0.000 0.000 0.234 274 R C 2.388 178.704 176.300 0.026 0.000 1.123 274 R CA 1.785 57.878 56.100 -0.012 0.000 0.975 274 R CB -0.553 29.717 30.300 -0.050 0.000 0.866 274 R HN 0.654 nan 8.270 nan 0.000 0.446 275 T N -1.389 113.195 114.554 0.049 0.000 3.144 275 T HA 0.219 4.568 4.350 -0.000 0.000 0.249 275 T C 0.707 175.442 174.700 0.059 0.000 1.089 275 T CA -0.134 62.002 62.100 0.060 0.000 0.989 275 T CB -0.035 68.881 68.868 0.080 0.000 0.992 275 T HN -0.012 nan 8.240 nan 0.000 0.540 276 L N 2.306 123.564 121.223 0.058 0.000 2.477 276 L HA 0.443 4.783 4.340 -0.000 0.000 0.272 276 L C 0.375 177.277 176.870 0.053 0.000 1.157 276 L CA -0.087 54.788 54.840 0.057 0.000 0.889 276 L CB 0.607 42.701 42.059 0.058 0.000 1.158 276 L HN 0.224 nan 8.230 nan 0.000 0.473 277 S N 4.001 119.733 115.700 0.054 0.000 2.535 277 S HA 0.432 4.902 4.470 -0.000 0.000 0.272 277 S C -1.983 172.651 174.600 0.058 0.000 1.149 277 S CA -1.029 57.201 58.200 0.051 0.000 0.888 277 S CB 1.901 65.128 63.200 0.045 0.000 1.110 277 S HN 0.329 nan 8.310 nan 0.000 0.463 278 P HA -0.103 nan 4.420 nan 0.000 0.217 278 P C 0.370 177.709 177.300 0.064 0.000 1.151 278 P CA 1.345 64.486 63.100 0.067 0.000 0.849 278 P CB -0.031 31.704 31.700 0.058 0.000 0.787 279 N N -0.775 117.955 118.700 0.049 0.000 2.238 279 N HA 0.269 5.008 4.740 -0.000 0.000 0.222 279 N C 0.180 175.709 175.510 0.033 0.000 1.133 279 N CA 0.019 53.092 53.050 0.038 0.000 0.854 279 N CB 0.848 39.353 38.487 0.030 0.000 1.041 279 N HN 0.114 nan 8.380 nan 0.000 0.510 280 A N 0.550 123.394 122.820 0.041 0.000 2.380 280 A HA 0.589 4.909 4.320 -0.000 0.000 0.315 280 A C 0.379 177.987 177.584 0.041 0.000 1.101 280 A CA -0.553 51.507 52.037 0.038 0.000 0.771 280 A CB 1.096 20.122 19.000 0.044 0.000 1.287 280 A HN 0.148 nan 8.150 nan 0.000 0.436 281 S N 0.368 116.087 115.700 0.032 0.000 2.593 281 S HA 0.446 4.916 4.470 -0.000 0.000 0.269 281 S C 0.077 174.709 174.600 0.054 0.000 1.334 281 S CA -0.501 57.716 58.200 0.028 0.000 1.015 281 S CB 0.697 63.904 63.200 0.012 0.000 0.912 281 S HN 0.930 nan 8.310 nan 0.000 0.541 282 V N 2.487 122.436 119.914 0.058 0.000 2.508 282 V HA 0.188 4.308 4.120 -0.000 0.000 0.281 282 V C 0.670 176.821 176.094 0.095 0.000 1.041 282 V CA -0.227 62.116 62.300 0.072 0.000 1.016 282 V CB 0.474 32.332 31.823 0.059 0.000 0.984 282 V HN 0.995 nan 8.190 nan 0.000 0.478 283 T N 5.219 119.850 114.554 0.129 0.000 2.729 283 T HA 0.483 4.832 4.350 -0.000 0.000 0.296 283 T C 0.112 174.958 174.700 0.243 0.000 0.928 283 T CA -0.177 62.033 62.100 0.183 0.000 1.045 283 T CB 0.437 69.425 68.868 0.200 0.000 0.902 283 T HN 0.969 nan 8.240 nan 0.000 0.500 284 S N 3.153 119.010 115.700 0.263 0.000 2.537 284 S HA 0.633 5.103 4.470 -0.000 0.000 0.270 284 S C -1.666 173.179 174.600 0.408 0.000 1.142 284 S CA -1.036 57.359 58.200 0.324 0.000 0.870 284 S CB 1.407 64.741 63.200 0.223 0.000 1.112 284 S HN 0.588 nan 8.310 nan 0.000 0.466 285 Y N 1.468 121.956 120.300 0.314 0.000 2.376 285 Y HA 0.498 5.048 4.550 -0.000 0.000 0.340 285 Y C -0.275 175.732 175.900 0.177 0.000 0.965 285 Y CA -0.476 57.794 58.100 0.284 0.000 1.078 285 Y CB 1.821 40.526 38.460 0.409 0.000 1.193 285 Y HN 0.892 nan 8.280 nan 0.000 0.452 286 Q N 6.624 126.176 119.800 -0.414 0.000 2.314 286 Q HA 0.409 4.748 4.340 -0.000 0.000 0.257 286 Q C -1.137 174.564 176.000 -0.499 0.000 0.975 286 Q CA -0.421 55.053 55.803 -0.548 0.000 0.933 286 Q CB 0.565 28.935 28.738 -0.614 0.000 1.195 286 Q HN 0.747 nan 8.270 nan 0.000 0.426 287 I N 5.032 125.515 120.570 -0.144 0.000 2.325 287 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 287 I C 0.296 176.405 176.117 -0.014 0.000 1.019 287 I CA -0.686 60.645 61.300 0.052 0.000 1.302 287 I CB 0.944 39.073 38.000 0.215 0.000 1.401 287 I HN 0.364 nan 8.210 nan 0.000 0.485 288 V N 5.524 125.358 119.914 -0.133 0.000 2.837 288 V HA 0.640 4.760 4.120 -0.000 0.000 0.310 288 V C -2.329 173.460 176.094 -0.508 0.000 1.059 288 V CA -1.973 60.144 62.300 -0.305 0.000 1.004 288 V CB 0.880 32.533 31.823 -0.284 0.000 1.045 288 V HN 0.510 nan 8.190 nan 0.000 0.465 289 P HA 0.370 nan 4.420 nan 0.000 0.272 289 P C -2.780 174.106 177.300 -0.690 0.000 1.230 289 P CA -1.486 60.756 63.100 -1.431 0.000 0.788 289 P CB -0.435 29.972 31.700 -2.155 0.000 0.949 290 P HA -0.036 nan 4.420 nan 0.000 0.267 290 P C 0.868 178.009 177.300 -0.265 0.000 1.201 290 P CA 0.246 63.193 63.100 -0.256 0.000 0.775 290 P CB 0.079 31.698 31.700 -0.135 0.000 0.854 291 A N 2.228 124.936 122.820 -0.186 0.000 1.986 291 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 291 A C 2.099 179.575 177.584 -0.180 0.000 1.171 291 A CA 2.349 54.282 52.037 -0.173 0.000 0.640 291 A CB -1.742 17.185 19.000 -0.121 0.000 0.811 291 A HN 0.634 nan 8.150 nan 0.000 0.451 292 S N -1.220 114.388 115.700 -0.154 0.000 2.474 292 S HA -0.023 4.447 4.470 -0.000 0.000 0.235 292 S C 1.465 175.897 174.600 -0.280 0.000 0.997 292 S CA 1.338 59.419 58.200 -0.200 0.000 0.949 292 S CB -0.200 62.938 63.200 -0.103 0.000 0.766 292 S HN 0.255 nan 8.310 nan 0.000 0.517 293 V N 0.559 120.330 119.914 -0.239 0.000 3.212 293 V HA 0.289 4.408 4.120 -0.000 0.000 0.244 293 V C 2.107 177.995 176.094 -0.342 0.000 1.151 293 V CA 0.328 62.474 62.300 -0.257 0.000 1.119 293 V CB -0.207 31.476 31.823 -0.232 0.000 0.838 293 V HN 0.423 nan 8.190 nan 0.000 0.470 294 L N 0.833 121.813 121.223 -0.406 0.000 2.353 294 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 294 L C 2.198 178.970 176.870 -0.163 0.000 1.133 294 L CA 1.524 56.153 54.840 -0.352 0.000 0.798 294 L CB -0.196 41.665 42.059 -0.330 0.000 0.922 294 L HN 0.472 nan 8.230 nan 0.000 0.445 295 I N -2.785 117.693 120.570 -0.154 0.000 3.083 295 I HA 0.105 4.274 4.170 -0.000 0.000 0.273 295 I C 1.016 177.088 176.117 -0.075 0.000 1.297 295 I CA 0.589 61.823 61.300 -0.110 0.000 1.452 295 I CB -0.644 37.280 38.000 -0.126 0.000 1.078 295 I HN 0.117 nan 8.210 nan 0.000 0.484 296 G N -0.269 108.504 108.800 -0.046 0.000 2.561 296 G HA2 0.220 4.180 3.960 -0.000 0.000 0.310 296 G HA3 0.220 4.180 3.960 -0.000 0.000 0.310 296 G C -1.834 173.088 174.900 0.036 0.000 1.292 296 G CA -0.684 44.402 45.100 -0.023 0.000 0.811 296 G HN -0.023 nan 8.290 nan 0.000 0.482 297 D N 1.449 121.824 120.400 -0.041 0.000 2.455 297 D HA 0.408 5.048 4.640 -0.000 0.000 0.241 297 D C 0.413 176.625 176.300 -0.147 0.000 1.138 297 D CA 0.774 54.695 54.000 -0.131 0.000 0.877 297 D CB 0.308 41.011 40.800 -0.161 0.000 1.187 297 D HN 0.545 nan 8.370 nan 0.000 0.451 298 H N -0.432 118.492 119.070 -0.243 0.000 2.966 298 H HA 0.453 5.008 4.556 -0.001 0.000 0.330 298 H C -1.333 173.871 175.328 -0.206 0.000 1.292 298 H CA -0.820 55.085 56.048 -0.238 0.000 1.127 298 H CB 0.413 30.155 29.762 -0.033 0.000 1.863 298 H HN 0.241 nan 8.280 nan 0.000 0.543 299 Y N 0.140 120.695 120.300 0.424 0.000 2.536 299 Y HA 0.389 4.939 4.550 -0.000 0.000 0.347 299 Y C -0.327 175.915 175.900 0.570 0.000 1.000 299 Y CA -1.250 57.110 58.100 0.433 0.000 1.051 299 Y CB 1.883 40.427 38.460 0.139 0.000 1.259 299 Y HN 0.493 nan 8.280 nan 0.000 0.468 300 L N 3.281 124.910 121.223 0.677 0.000 2.257 300 L HA 0.421 4.761 4.340 -0.000 0.000 0.290 300 L C 0.375 177.456 176.870 0.351 0.000 1.044 300 L CA -0.290 54.594 54.840 0.073 0.000 0.810 300 L CB 0.329 42.253 42.059 -0.225 0.000 1.193 300 L HN 0.951 nan 8.230 nan 0.000 0.425 301 C N 1.778 121.144 119.300 0.109 0.000 3.336 301 C HA 0.853 5.312 4.460 -0.000 0.000 0.291 301 C C 0.678 175.663 174.990 -0.008 0.000 1.363 301 C CA 0.035 59.175 59.018 0.204 0.000 1.737 301 C CB -0.822 27.007 27.740 0.149 0.000 2.274 301 C HN 0.920 nan 8.230 nan 0.000 0.663 302 G N 0.241 108.878 108.800 -0.272 0.000 2.752 302 G HA2 0.557 4.517 3.960 -0.000 0.000 0.298 302 G HA3 0.557 4.517 3.960 -0.000 0.000 0.298 302 G C -1.799 172.669 174.900 -0.719 0.000 1.434 302 G CA -0.157 44.678 45.100 -0.441 0.000 1.004 302 G HN 0.356 nan 8.290 nan 0.000 0.560 303 V N 1.132 120.527 119.914 -0.865 0.000 2.577 303 V HA 0.785 4.905 4.120 -0.000 0.000 0.303 303 V C -0.335 175.295 176.094 -0.775 0.000 1.042 303 V CA -0.658 60.974 62.300 -1.115 0.000 0.872 303 V CB 1.995 32.641 31.823 -1.962 0.000 0.998 303 V HN 0.861 nan 8.190 nan 0.000 0.423 304 T N 3.305 117.476 114.554 -0.639 0.000 2.937 304 T HA 0.365 4.715 4.350 -0.000 0.000 0.297 304 T C -0.940 173.518 174.700 -0.402 0.000 0.991 304 T CA -0.369 61.510 62.100 -0.369 0.000 0.990 304 T CB 0.887 69.632 68.868 -0.205 0.000 0.991 304 T HN 0.566 nan 8.240 nan 0.000 0.440 305 W N 3.106 124.310 121.300 -0.161 0.000 2.345 305 W HA 0.363 5.022 4.660 -0.001 0.000 0.308 305 W C 1.043 177.472 176.519 -0.149 0.000 1.273 305 W CA -0.448 56.832 57.345 -0.109 0.000 1.243 305 W CB 0.704 30.189 29.460 0.042 0.000 1.260 305 W HN 0.484 nan 8.180 nan 0.000 0.509 306 V N 2.098 122.016 119.914 0.007 0.000 2.484 306 V HA 0.023 4.142 4.120 -0.000 0.000 0.236 306 V C 1.101 177.248 176.094 0.089 0.000 1.062 306 V CA 1.625 63.825 62.300 -0.167 0.000 1.081 306 V CB -0.516 30.954 31.823 -0.589 0.000 0.751 306 V HN 0.640 nan 8.190 nan 0.000 0.484 307 T N -3.802 110.858 114.554 0.176 0.000 2.633 307 T HA 0.360 4.709 4.350 -0.000 0.000 0.262 307 T C 0.695 175.583 174.700 0.314 0.000 0.920 307 T CA -0.455 61.771 62.100 0.211 0.000 1.062 307 T CB 1.693 70.661 68.868 0.166 0.000 1.390 307 T HN 0.019 nan 8.240 nan 0.000 0.549 308 E N 0.548 120.892 120.200 0.240 0.000 2.274 308 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 308 E C 0.930 177.796 176.600 0.443 0.000 0.996 308 E CA 0.845 57.401 56.400 0.260 0.000 0.840 308 E CB 0.158 29.956 29.700 0.163 0.000 0.772 308 E HN 0.681 nan 8.360 nan 0.000 0.491 309 E N 0.196 120.612 120.200 0.360 0.000 2.651 309 E HA 0.164 4.514 4.350 -0.000 0.000 0.208 309 E C 0.079 176.875 176.600 0.327 0.000 0.997 309 E CA -0.147 56.415 56.400 0.270 0.000 1.020 309 E CB 0.984 30.788 29.700 0.173 0.000 1.052 309 E HN -0.118 nan 8.360 nan 0.000 0.465 310 R N 1.454 122.248 120.500 0.489 0.000 2.510 310 R HA 0.467 4.806 4.340 -0.000 0.000 0.287 310 R C -1.804 174.600 176.300 0.174 0.000 1.084 310 R CA -0.404 55.886 56.100 0.317 0.000 0.934 310 R CB 1.342 31.710 30.300 0.113 0.000 1.201 310 R HN 0.058 nan 8.270 nan 0.000 0.431 311 I N 2.068 122.596 120.570 -0.071 0.000 2.569 311 I HA 0.412 4.582 4.170 -0.000 0.000 0.296 311 I C -1.037 174.773 176.117 -0.511 0.000 1.028 311 I CA -0.430 60.520 61.300 -0.582 0.000 1.082 311 I CB 2.301 39.584 38.000 -1.195 0.000 1.264 311 I HN 0.575 nan 8.210 nan 0.000 0.429 312 S N 7.278 122.606 115.700 -0.620 0.000 2.449 312 S HA 0.678 5.147 4.470 -0.000 0.000 0.310 312 S C -0.960 173.287 174.600 -0.588 0.000 1.096 312 S CA -0.647 57.255 58.200 -0.496 0.000 1.095 312 S CB 0.607 63.559 63.200 -0.414 0.000 1.007 312 S HN 0.475 nan 8.310 nan 0.000 0.474 313 L N 4.319 125.231 121.223 -0.518 0.000 2.341 313 L HA 0.558 4.898 4.340 -0.000 0.000 0.278 313 L C -0.169 176.388 176.870 -0.521 0.000 1.005 313 L CA -0.648 53.774 54.840 -0.698 0.000 0.818 313 L CB 1.940 43.544 42.059 -0.759 0.000 1.259 313 L HN 0.596 nan 8.230 nan 0.000 0.418 314 Q N 2.372 121.800 119.800 -0.619 0.000 2.368 314 Q HA 0.367 4.706 4.340 -0.000 0.000 0.263 314 Q C -1.836 173.927 176.000 -0.394 0.000 1.009 314 Q CA -0.527 55.055 55.803 -0.369 0.000 0.818 314 Q CB 1.201 29.771 28.738 -0.279 0.000 1.239 314 Q HN 0.469 nan 8.270 nan 0.000 0.464 315 W N 3.975 125.235 121.300 -0.066 0.000 2.627 315 W HA 0.636 5.296 4.660 -0.000 0.000 0.339 315 W C -0.501 176.062 176.519 0.072 0.000 1.058 315 W CA -0.611 56.746 57.345 0.019 0.000 1.223 315 W CB 1.185 30.625 29.460 -0.033 0.000 1.389 315 W HN 0.494 nan 8.180 nan 0.000 0.541 316 I N 1.898 122.704 120.570 0.394 0.000 2.689 316 I HA 0.452 4.622 4.170 -0.000 0.000 0.299 316 I C 0.107 176.389 176.117 0.274 0.000 1.059 316 I CA -1.122 60.362 61.300 0.307 0.000 1.055 316 I CB 1.353 39.513 38.000 0.267 0.000 1.243 316 I HN 0.359 nan 8.210 nan 0.000 0.425 317 R N 4.087 124.716 120.500 0.215 0.000 2.679 317 R HA 0.239 4.578 4.340 -0.000 0.000 0.269 317 R C 1.113 177.400 176.300 -0.022 0.000 1.076 317 R CA -0.247 55.902 56.100 0.083 0.000 1.160 317 R CB 0.543 30.885 30.300 0.069 0.000 1.054 317 R HN 0.623 nan 8.270 nan 0.000 0.507 318 R N 1.344 121.741 120.500 -0.171 0.000 2.091 318 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 318 R C 1.828 178.117 176.300 -0.018 0.000 1.136 318 R CA 1.981 57.932 56.100 -0.247 0.000 0.959 318 R CB -0.301 29.855 30.300 -0.239 0.000 0.856 318 R HN 0.755 nan 8.270 nan 0.000 0.437 319 A N 0.197 123.013 122.820 -0.007 0.000 2.019 319 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 319 A C 0.922 178.529 177.584 0.038 0.000 1.164 319 A CA 1.510 53.556 52.037 0.016 0.000 0.644 319 A CB -0.127 18.881 19.000 0.013 0.000 0.805 319 A HN 0.623 nan 8.150 nan 0.000 0.449 320 Q N -2.400 117.448 119.800 0.081 0.000 2.493 320 Q HA -0.210 4.129 4.340 -0.000 0.000 0.260 320 Q C 0.211 176.281 176.000 0.116 0.000 0.905 320 Q CA 0.719 56.585 55.803 0.106 0.000 1.140 320 Q CB -1.547 27.221 28.738 0.050 0.000 1.435 320 Q HN 0.974 nan 8.270 nan 0.000 0.581 321 N N -0.596 118.176 118.700 0.120 0.000 2.184 321 N HA 0.028 4.767 4.740 -0.000 0.000 0.206 321 N C -0.659 174.941 175.510 0.150 0.000 1.151 321 N CA 0.100 53.217 53.050 0.111 0.000 0.878 321 N CB 0.378 38.912 38.487 0.078 0.000 1.014 321 N HN 0.321 nan 8.380 nan 0.000 0.512 322 Y N 0.729 121.053 120.300 0.040 0.000 2.327 322 Y HA 0.576 5.125 4.550 -0.000 0.000 0.325 322 Y C -0.954 174.980 175.900 0.056 0.000 0.999 322 Y CA -1.010 57.112 58.100 0.037 0.000 1.195 322 Y CB 1.406 39.877 38.460 0.018 0.000 1.132 322 Y HN -0.003 nan 8.280 nan 0.000 0.455 323 S N 6.471 122.090 115.700 -0.136 0.000 2.566 323 S HA 0.797 5.266 4.470 -0.000 0.000 0.298 323 S C -1.567 172.930 174.600 -0.171 0.000 1.083 323 S CA -0.646 57.533 58.200 -0.035 0.000 0.978 323 S CB 1.070 64.272 63.200 0.003 0.000 1.073 323 S HN 0.730 nan 8.310 nan 0.000 0.491 324 I N 3.462 124.029 120.570 -0.006 0.000 2.644 324 I HA 0.526 4.696 4.170 -0.000 0.000 0.291 324 I C -1.754 174.390 176.117 0.045 0.000 1.180 324 I CA -0.874 60.425 61.300 -0.003 0.000 1.040 324 I CB 1.499 39.537 38.000 0.064 0.000 1.255 324 I HN 0.673 nan 8.210 nan 0.000 0.422 325 I N 6.277 126.848 120.570 0.002 0.000 2.315 325 I HA 0.292 4.461 4.170 -0.000 0.000 0.291 325 I C -0.865 175.275 176.117 0.038 0.000 1.006 325 I CA -0.119 61.158 61.300 -0.037 0.000 1.265 325 I CB 1.185 39.080 38.000 -0.175 0.000 1.387 325 I HN 0.469 nan 8.210 nan 0.000 0.475 326 D N 7.500 127.916 120.400 0.026 0.000 2.414 326 D HA 0.435 5.075 4.640 -0.000 0.000 0.232 326 D C -0.678 175.606 176.300 -0.027 0.000 1.070 326 D CA -0.293 53.728 54.000 0.036 0.000 0.839 326 D CB 0.932 41.785 40.800 0.088 0.000 1.079 326 D HN 0.250 nan 8.370 nan 0.000 0.521 327 I N 4.211 124.789 120.570 0.013 0.000 2.291 327 I HA 0.256 4.426 4.170 -0.000 0.000 0.290 327 I C -0.283 175.844 176.117 0.016 0.000 1.050 327 I CA -0.501 60.789 61.300 -0.017 0.000 1.245 327 I CB 0.708 38.748 38.000 0.067 0.000 1.405 327 I HN 0.322 nan 8.210 nan 0.000 0.478 328 C N 4.381 123.687 119.300 0.011 0.000 2.341 328 C HA 0.470 4.930 4.460 -0.000 0.000 0.338 328 C C -0.056 175.079 174.990 0.242 0.000 1.257 328 C CA -0.738 58.356 59.018 0.128 0.000 1.883 328 C CB 0.538 28.383 27.740 0.176 0.000 2.334 328 C HN 0.577 nan 8.230 nan 0.000 0.524 329 D N 0.500 120.997 120.400 0.163 0.000 2.192 329 D HA 0.275 4.915 4.640 -0.000 0.000 0.246 329 D C -0.569 175.633 176.300 -0.163 0.000 1.042 329 D CA -0.202 53.840 54.000 0.069 0.000 0.847 329 D CB 0.852 41.657 40.800 0.009 0.000 1.186 329 D HN 0.581 nan 8.370 nan 0.000 0.461 330 Y N 1.444 121.354 120.300 -0.651 0.000 2.377 330 Y HA 0.169 4.719 4.550 -0.001 0.000 0.330 330 Y C -0.073 175.480 175.900 -0.578 0.000 1.108 330 Y CA -0.121 57.265 58.100 -1.190 0.000 1.308 330 Y CB 0.676 38.246 38.460 -1.483 0.000 1.216 330 Y HN 0.155 nan 8.280 nan 0.000 0.518 331 D N 5.637 125.375 120.400 -1.103 0.000 2.396 331 D HA 0.099 4.739 4.640 -0.000 0.000 0.225 331 D C 0.633 176.374 176.300 -0.933 0.000 1.121 331 D CA 0.002 53.547 54.000 -0.759 0.000 0.853 331 D CB 0.775 41.258 40.800 -0.528 0.000 1.043 331 D HN 0.733 nan 8.370 nan 0.000 0.500 332 E N 1.354 121.232 120.200 -0.537 0.000 2.209 332 E HA -0.178 4.171 4.350 -0.000 0.000 0.196 332 E C 1.420 177.901 176.600 -0.198 0.000 0.993 332 E CA 1.071 57.311 56.400 -0.268 0.000 0.819 332 E CB 0.134 29.808 29.700 -0.043 0.000 0.745 332 E HN 0.486 nan 8.360 nan 0.000 0.477 333 S N -0.306 115.269 115.700 -0.209 0.000 2.503 333 S HA -0.010 4.460 4.470 -0.000 0.000 0.217 333 S C 1.832 176.355 174.600 -0.129 0.000 0.999 333 S CA 0.917 59.043 58.200 -0.124 0.000 0.914 333 S CB 0.235 63.379 63.200 -0.094 0.000 0.782 333 S HN 0.245 nan 8.310 nan 0.000 0.520 334 T N -4.170 110.256 114.554 -0.212 0.000 2.975 334 T HA 0.536 4.886 4.350 -0.000 0.000 0.261 334 T C 1.637 176.226 174.700 -0.185 0.000 0.984 334 T CA 0.624 62.624 62.100 -0.166 0.000 0.911 334 T CB 0.081 68.852 68.868 -0.161 0.000 1.127 334 T HN 1.082 nan 8.240 nan 0.000 0.514 335 G N 2.374 110.968 108.800 -0.344 0.000 2.220 335 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.269 335 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.269 335 G C 0.341 174.998 174.900 -0.405 0.000 0.977 335 G CA 0.077 45.023 45.100 -0.257 0.000 0.634 335 G HN 0.651 nan 8.290 nan 0.000 0.539 336 R N -0.836 119.317 120.500 -0.579 0.000 2.734 336 R HA 0.252 4.591 4.340 -0.000 0.000 0.266 336 R C -0.477 175.270 176.300 -0.921 0.000 1.044 336 R CA 0.259 55.816 56.100 -0.906 0.000 1.128 336 R CB 0.299 30.247 30.300 -0.587 0.000 1.010 336 R HN 0.274 nan 8.270 nan 0.000 0.461 337 W N 3.223 123.937 121.300 -0.977 0.000 2.294 337 W HA 0.394 5.054 4.660 -0.001 0.000 0.314 337 W C -0.096 176.312 176.519 -0.186 0.000 1.044 337 W CA -0.316 56.834 57.345 -0.325 0.000 1.284 337 W CB 0.623 30.055 29.460 -0.046 0.000 1.231 337 W HN 0.312 nan 8.180 nan 0.000 0.419 338 I N 3.990 124.555 120.570 -0.008 0.000 2.353 338 I HA 0.291 4.460 4.170 -0.000 0.000 0.293 338 I C 0.574 176.724 176.117 0.055 0.000 0.992 338 I CA -0.642 60.660 61.300 0.004 0.000 1.268 338 I CB 1.081 39.038 38.000 -0.071 0.000 1.387 338 I HN 0.315 nan 8.210 nan 0.000 0.478 339 S N 4.043 119.778 115.700 0.058 0.000 2.608 339 S HA 0.756 5.225 4.470 -0.000 0.000 0.291 339 S C -0.258 174.350 174.600 0.013 0.000 1.146 339 S CA -0.663 57.561 58.200 0.039 0.000 1.043 339 S CB 1.791 65.011 63.200 0.033 0.000 1.037 339 S HN 0.691 nan 8.310 nan 0.000 0.520 340 S N 0.991 116.695 115.700 0.008 0.000 2.549 340 S HA 0.470 4.940 4.470 -0.000 0.000 0.280 340 S C 0.587 175.175 174.600 -0.019 0.000 1.109 340 S CA -0.792 57.404 58.200 -0.006 0.000 0.905 340 S CB 1.133 64.333 63.200 -0.001 0.000 1.081 340 S HN 0.534 nan 8.310 nan 0.000 0.477 341 V N 2.379 122.277 119.914 -0.028 0.000 2.324 341 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 341 V C 2.993 179.048 176.094 -0.066 0.000 1.060 341 V CA 2.722 64.996 62.300 -0.043 0.000 1.042 341 V CB -1.466 30.336 31.823 -0.035 0.000 0.650 341 V HN 1.045 nan 8.190 nan 0.000 0.450 342 A N -0.414 122.376 122.820 -0.049 0.000 1.940 342 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 342 A C 2.256 179.786 177.584 -0.089 0.000 1.176 342 A CA 1.677 53.680 52.037 -0.056 0.000 0.631 342 A CB -0.454 18.536 19.000 -0.016 0.000 0.814 342 A HN 0.539 nan 8.150 nan 0.000 0.446 343 R N -0.666 119.808 120.500 -0.044 0.000 2.320 343 R HA 0.128 4.468 4.340 -0.000 0.000 0.211 343 R C 0.003 176.275 176.300 -0.047 0.000 0.931 343 R CA -0.036 56.076 56.100 0.020 0.000 1.071 343 R CB 0.074 30.423 30.300 0.083 0.000 1.025 343 R HN 0.612 nan 8.270 nan 0.000 0.495 344 Q N -0.077 119.608 119.800 -0.192 0.000 2.230 344 Q HA 0.190 4.530 4.340 -0.000 0.000 0.248 344 Q C -1.101 174.649 176.000 -0.417 0.000 0.915 344 Q CA -0.134 55.571 55.803 -0.162 0.000 0.900 344 Q CB 1.346 30.033 28.738 -0.085 0.000 1.229 344 Q HN 0.196 nan 8.270 nan 0.000 0.439 345 H N 1.357 120.426 119.070 -0.002 0.000 3.092 345 H HA 0.336 4.891 4.556 -0.000 0.000 0.308 345 H C -1.073 174.211 175.328 -0.073 0.000 1.047 345 H CA -0.361 55.678 56.048 -0.015 0.000 1.466 345 H CB 0.544 30.282 29.762 -0.040 0.000 1.597 345 H HN 0.444 nan 8.280 nan 0.000 0.512 346 I N 2.026 122.596 120.570 -0.001 0.000 2.474 346 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 346 I C 0.361 176.411 176.117 -0.112 0.000 1.048 346 I CA 0.193 61.408 61.300 -0.142 0.000 1.383 346 I CB 0.860 38.757 38.000 -0.171 0.000 1.412 346 I HN 0.575 nan 8.210 nan 0.000 0.531 347 E N 7.287 127.364 120.200 -0.204 0.000 2.241 347 E HA 0.578 4.928 4.350 -0.000 0.000 0.263 347 E C -1.435 175.063 176.600 -0.171 0.000 0.882 347 E CA -0.705 55.626 56.400 -0.114 0.000 0.769 347 E CB 1.574 31.241 29.700 -0.055 0.000 1.185 347 E HN 0.557 nan 8.360 nan 0.000 0.415 348 I N 0.576 121.087 120.570 -0.098 0.000 2.892 348 I HA 0.637 4.807 4.170 -0.000 0.000 0.306 348 I C -0.661 175.451 176.117 -0.009 0.000 1.078 348 I CA -0.804 60.460 61.300 -0.061 0.000 1.032 348 I CB 2.289 40.269 38.000 -0.034 0.000 1.229 348 I HN 0.263 nan 8.210 nan 0.000 0.435 349 S N 1.214 116.919 115.700 0.009 0.000 2.647 349 S HA 0.459 4.929 4.470 -0.000 0.000 0.300 349 S C 0.557 175.162 174.600 0.008 0.000 1.129 349 S CA 0.061 58.264 58.200 0.005 0.000 1.029 349 S CB 1.072 64.266 63.200 -0.009 0.000 1.007 349 S HN 0.924 nan 8.310 nan 0.000 0.484 350 T N 0.789 115.347 114.554 0.007 0.000 3.081 350 T HA 0.016 4.366 4.350 -0.000 0.000 0.255 350 T C 1.586 176.286 174.700 0.000 0.000 1.113 350 T CA 1.046 63.150 62.100 0.007 0.000 1.082 350 T CB -0.448 68.424 68.868 0.007 0.000 0.939 350 T HN 0.689 nan 8.240 nan 0.000 0.506 351 T N -2.100 112.460 114.554 0.009 0.000 3.039 351 T HA 0.590 4.939 4.350 -0.000 0.000 0.250 351 T C 1.357 176.018 174.700 -0.064 0.000 1.052 351 T CA 0.471 62.591 62.100 0.033 0.000 1.125 351 T CB 0.237 69.166 68.868 0.102 0.000 0.908 351 T HN 0.567 nan 8.240 nan 0.000 0.473 352 G N 0.546 109.186 108.800 -0.266 0.000 3.218 352 G HA2 0.466 4.426 3.960 -0.000 0.000 0.143 352 G HA3 0.466 4.426 3.960 -0.000 0.000 0.143 352 G C -1.631 173.084 174.900 -0.309 0.000 1.220 352 G CA -0.366 44.386 45.100 -0.580 0.000 1.382 352 G HN 0.555 nan 8.290 nan 0.000 0.682 353 W N 0.088 121.078 121.300 -0.516 0.000 2.671 353 W HA 0.814 5.474 4.660 -0.000 0.000 0.360 353 W C -0.652 175.821 176.519 -0.077 0.000 1.128 353 W CA -1.431 55.770 57.345 -0.240 0.000 1.184 353 W CB 1.301 30.587 29.460 -0.291 0.000 1.415 353 W HN 0.263 nan 8.180 nan 0.000 0.604 354 V N 3.570 123.579 119.914 0.158 0.000 2.432 354 V HA 0.633 4.753 4.120 -0.000 0.000 0.275 354 V C 0.908 177.096 176.094 0.156 0.000 1.043 354 V CA 0.869 63.225 62.300 0.094 0.000 0.925 354 V CB 0.043 31.910 31.823 0.073 0.000 0.985 354 V HN 1.284 nan 8.190 nan 0.000 0.466 355 G N 6.059 114.914 108.800 0.092 0.000 2.642 355 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.231 355 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.231 355 G C 0.515 175.512 174.900 0.161 0.000 1.338 355 G CA 0.355 45.521 45.100 0.111 0.000 0.883 355 G HN 0.585 nan 8.290 nan 0.000 0.570 356 R N -1.466 119.115 120.500 0.134 0.000 2.048 356 R HA 0.322 4.662 4.340 -0.000 0.000 0.221 356 R C 2.256 178.456 176.300 -0.166 0.000 1.174 356 R CA 1.902 58.016 56.100 0.023 0.000 0.971 356 R CB -0.144 30.180 30.300 0.041 0.000 0.863 356 R HN 0.456 nan 8.270 nan 0.000 0.439 357 F N -0.194 119.876 119.950 0.199 0.000 2.729 357 F HA 0.237 4.763 4.527 -0.000 0.000 0.304 357 F C 0.600 176.445 175.800 0.076 0.000 1.008 357 F CA -0.445 57.634 58.000 0.131 0.000 1.188 357 F CB 0.575 39.670 39.000 0.159 0.000 0.980 357 F HN -0.116 nan 8.300 nan 0.000 0.627 358 R N 0.667 121.330 120.500 0.272 0.000 2.795 358 R HA 0.545 4.885 4.340 -0.000 0.000 0.275 358 R C -3.107 173.279 176.300 0.144 0.000 0.981 358 R CA -2.063 54.137 56.100 0.168 0.000 0.917 358 R CB 0.718 31.104 30.300 0.144 0.000 1.202 358 R HN -0.300 nan 8.270 nan 0.000 0.469 359 P HA -0.062 nan 4.420 nan 0.000 0.265 359 P C -0.305 177.031 177.300 0.061 0.000 1.187 359 P CA 0.165 63.308 63.100 0.073 0.000 0.766 359 P CB 0.424 32.147 31.700 0.037 0.000 0.820 360 A N 3.559 126.420 122.820 0.067 0.000 2.531 360 A HA 0.040 4.360 4.320 -0.000 0.000 0.236 360 A C 0.567 178.168 177.584 0.028 0.000 1.062 360 A CA -0.043 52.042 52.037 0.080 0.000 0.760 360 A CB -0.249 18.814 19.000 0.104 0.000 0.995 360 A HN 0.542 nan 8.150 nan 0.000 0.501 361 E N 2.622 122.842 120.200 0.034 0.000 2.301 361 E HA 0.293 4.642 4.350 -0.000 0.000 0.275 361 E C -2.338 174.207 176.600 -0.092 0.000 1.030 361 E CA -1.659 54.696 56.400 -0.076 0.000 0.852 361 E CB 0.739 30.372 29.700 -0.111 0.000 1.060 361 E HN 0.494 nan 8.360 nan 0.000 0.401 362 P HA 0.076 nan 4.420 nan 0.000 0.275 362 P C -0.871 176.259 177.300 -0.283 0.000 1.227 362 P CA 0.105 63.026 63.100 -0.299 0.000 0.781 362 P CB 0.750 31.943 31.700 -0.846 0.000 0.906 363 H N 2.475 121.510 119.070 -0.058 0.000 2.638 363 H HA 0.301 4.857 4.556 -0.000 0.000 0.317 363 H C -0.353 175.037 175.328 0.104 0.000 1.006 363 H CA -0.316 55.790 56.048 0.097 0.000 1.222 363 H CB 0.412 30.265 29.762 0.152 0.000 1.419 363 H HN 0.312 nan 8.280 nan 0.000 0.489 364 F N 1.701 121.796 119.950 0.241 0.000 2.379 364 F HA 0.102 4.629 4.527 -0.000 0.000 0.332 364 F C 1.474 177.424 175.800 0.250 0.000 1.096 364 F CA -0.613 57.532 58.000 0.240 0.000 1.105 364 F CB 1.160 40.237 39.000 0.130 0.000 1.189 364 F HN 0.375 nan 8.300 nan 0.000 0.515 365 T N -1.240 113.567 114.554 0.422 0.000 2.802 365 T HA 0.049 4.399 4.350 -0.000 0.000 0.305 365 T C 1.290 176.159 174.700 0.282 0.000 1.053 365 T CA -0.523 61.771 62.100 0.324 0.000 1.058 365 T CB 1.006 70.043 68.868 0.282 0.000 0.988 365 T HN 0.568 nan 8.240 nan 0.000 0.539 366 S N 1.020 116.850 115.700 0.217 0.000 2.365 366 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 366 S C 1.926 176.627 174.600 0.168 0.000 1.039 366 S CA 1.720 60.028 58.200 0.179 0.000 1.033 366 S CB -0.681 62.605 63.200 0.144 0.000 0.887 366 S HN 0.952 nan 8.310 nan 0.000 0.447 367 D N -0.392 120.105 120.400 0.162 0.000 2.219 367 D HA 0.006 4.645 4.640 -0.000 0.000 0.205 367 D C 1.410 177.808 176.300 0.163 0.000 0.970 367 D CA 1.051 55.138 54.000 0.144 0.000 0.851 367 D CB -0.483 40.394 40.800 0.127 0.000 0.943 367 D HN 0.544 nan 8.370 nan 0.000 0.488 368 G N 1.217 110.148 108.800 0.218 0.000 2.141 368 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 368 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 368 G C 0.565 175.638 174.900 0.290 0.000 0.982 368 G CA 0.346 45.606 45.100 0.267 0.000 0.662 368 G HN 0.459 nan 8.290 nan 0.000 0.527 369 N N -0.082 118.756 118.700 0.230 0.000 2.422 369 N HA 0.298 5.038 4.740 -0.000 0.000 0.181 369 N C 0.891 176.501 175.510 0.167 0.000 1.080 369 N CA 0.701 53.863 53.050 0.187 0.000 0.893 369 N CB 0.274 38.839 38.487 0.130 0.000 0.973 369 N HN 0.676 nan 8.380 nan 0.000 0.456 370 S N -0.152 115.651 115.700 0.173 0.000 2.607 370 S HA 0.703 5.173 4.470 -0.000 0.000 0.273 370 S C -1.213 173.382 174.600 -0.009 0.000 1.148 370 S CA -1.073 57.104 58.200 -0.038 0.000 0.833 370 S CB 1.453 64.532 63.200 -0.202 0.000 1.130 370 S HN 0.169 nan 8.310 nan 0.000 0.470 371 F N -1.598 118.068 119.950 -0.472 0.000 2.654 371 F HA 0.802 5.329 4.527 -0.000 0.000 0.308 371 F C -2.233 173.253 175.800 -0.523 0.000 1.108 371 F CA -1.470 56.185 58.000 -0.574 0.000 0.957 371 F CB 0.697 38.910 39.000 -1.311 0.000 1.309 371 F HN 0.589 nan 8.300 nan 0.000 0.446 372 Y N 1.725 122.033 120.300 0.014 0.000 2.341 372 Y HA 0.646 5.195 4.550 -0.000 0.000 0.337 372 Y C -0.132 175.864 175.900 0.162 0.000 1.014 372 Y CA -0.712 57.409 58.100 0.036 0.000 1.111 372 Y CB 1.970 40.449 38.460 0.032 0.000 1.194 372 Y HN 0.698 nan 8.280 nan 0.000 0.462 373 K N 3.365 123.937 120.400 0.287 0.000 2.501 373 K HA 0.539 4.859 4.320 -0.000 0.000 0.252 373 K C -1.500 175.215 176.600 0.191 0.000 0.934 373 K CA -0.687 55.743 56.287 0.239 0.000 0.797 373 K CB 1.540 34.127 32.500 0.145 0.000 1.270 373 K HN 0.687 nan 8.250 nan 0.000 0.431 374 I N 6.354 127.015 120.570 0.151 0.000 2.436 374 I HA 0.173 4.343 4.170 -0.000 0.000 0.289 374 I C 0.267 176.464 176.117 0.133 0.000 1.083 374 I CA -0.058 61.317 61.300 0.125 0.000 1.372 374 I CB 0.108 38.169 38.000 0.101 0.000 1.408 374 I HN 0.453 nan 8.210 nan 0.000 0.516 375 I N 1.611 122.287 120.570 0.177 0.000 3.239 375 I HA 0.560 4.730 4.170 -0.000 0.000 0.314 375 I C -0.254 175.999 176.117 0.227 0.000 1.126 375 I CA -0.889 60.522 61.300 0.184 0.000 0.973 375 I CB 1.987 40.109 38.000 0.204 0.000 1.252 375 I HN 0.191 nan 8.210 nan 0.000 0.463 376 S N 2.137 117.922 115.700 0.141 0.000 2.523 376 S HA 0.271 4.741 4.470 -0.000 0.000 0.275 376 S C -0.095 174.570 174.600 0.109 0.000 1.281 376 S CA -0.745 57.486 58.200 0.053 0.000 1.050 376 S CB -0.079 63.083 63.200 -0.063 0.000 0.937 376 S HN 0.814 nan 8.310 nan 0.000 0.492 377 N N 2.418 121.057 118.700 -0.101 0.000 2.431 377 N HA 0.160 4.900 4.740 -0.000 0.000 0.289 377 N C 0.376 175.762 175.510 -0.206 0.000 1.277 377 N CA -0.662 52.149 53.050 -0.398 0.000 0.972 377 N CB 0.467 38.318 38.487 -1.060 0.000 1.143 377 N HN 0.435 nan 8.380 nan 0.000 0.578 378 E N -0.222 119.841 120.200 -0.229 0.000 2.160 378 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 378 E C 0.730 177.266 176.600 -0.107 0.000 0.991 378 E CA 1.626 57.950 56.400 -0.127 0.000 0.810 378 E CB -0.317 29.314 29.700 -0.116 0.000 0.742 378 E HN 0.763 nan 8.360 nan 0.000 0.466 379 E N -0.251 119.885 120.200 -0.108 0.000 2.444 379 E HA 0.275 4.625 4.350 -0.000 0.000 0.191 379 E C 0.803 177.376 176.600 -0.045 0.000 1.041 379 E CA 0.195 56.576 56.400 -0.032 0.000 0.883 379 E CB 0.354 30.071 29.700 0.029 0.000 1.024 379 E HN 0.196 nan 8.360 nan 0.000 0.470 380 G N 0.480 109.193 108.800 -0.144 0.000 2.147 380 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.244 380 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.244 380 G C -0.518 174.118 174.900 -0.440 0.000 1.005 380 G CA 0.142 45.066 45.100 -0.294 0.000 0.713 380 G HN 0.339 nan 8.290 nan 0.000 0.515 381 Y N 0.130 120.311 120.300 -0.198 0.000 2.420 381 Y HA 0.556 5.105 4.550 -0.000 0.000 0.334 381 Y C 0.919 176.681 175.900 -0.230 0.000 1.094 381 Y CA -0.838 57.133 58.100 -0.214 0.000 1.126 381 Y CB 1.231 39.571 38.460 -0.199 0.000 1.217 381 Y HN -0.083 nan 8.280 nan 0.000 0.462 382 K N 4.100 124.396 120.400 -0.174 0.000 2.276 382 K HA 0.301 4.621 4.320 -0.000 0.000 0.285 382 K C -0.895 175.456 176.600 -0.416 0.000 1.062 382 K CA -0.262 55.921 56.287 -0.173 0.000 0.918 382 K CB 0.465 32.903 32.500 -0.103 0.000 1.055 382 K HN 0.704 nan 8.250 nan 0.000 0.477 383 H N 1.349 120.430 119.070 0.018 0.000 2.985 383 H HA 0.340 4.895 4.556 -0.000 0.000 0.360 383 H C -0.175 175.215 175.328 0.103 0.000 1.221 383 H CA -0.875 55.162 56.048 -0.018 0.000 1.121 383 H CB 1.541 31.226 29.762 -0.127 0.000 1.854 383 H HN 0.365 nan 8.280 nan 0.000 0.551 384 I N 1.349 121.987 120.570 0.114 0.000 2.471 384 I HA 0.011 4.181 4.170 -0.000 0.000 0.286 384 I C 0.463 176.547 176.117 -0.055 0.000 1.079 384 I CA 0.243 61.555 61.300 0.020 0.000 1.398 384 I CB 0.253 38.192 38.000 -0.101 0.000 1.403 384 I HN 0.156 nan 8.210 nan 0.000 0.530 385 c N 6.711 125.198 118.600 -0.189 0.000 2.376 385 c HA 0.277 4.846 4.570 -0.000 0.000 0.335 385 c C 0.237 174.076 174.090 -0.418 0.000 1.229 385 c CA -0.471 55.509 56.329 -0.581 0.000 1.867 385 c CB 0.605 42.489 42.510 -1.044 0.000 2.319 385 c HN 0.712 nan 8.230 nan 0.000 0.515 386 H N 4.744 123.432 119.070 -0.637 0.000 2.820 386 H HA 0.352 4.908 4.556 -0.000 0.000 0.278 386 H C -1.100 173.731 175.328 -0.828 0.000 1.142 386 H CA 0.015 55.614 56.048 -0.749 0.000 1.346 386 H CB 0.026 29.477 29.762 -0.519 0.000 1.438 386 H HN 0.559 nan 8.280 nan 0.000 0.473 387 F N 2.617 121.784 119.950 -1.306 0.000 2.377 387 F HA 0.180 4.707 4.527 -0.000 0.000 0.328 387 F C 0.655 175.718 175.800 -1.228 0.000 1.094 387 F CA -0.536 56.693 58.000 -1.285 0.000 1.093 387 F CB 1.394 39.192 39.000 -2.004 0.000 1.214 387 F HN 0.508 nan 8.300 nan 0.000 0.518 388 Q N 0.350 119.854 119.800 -0.493 0.000 2.274 388 Q HA 0.298 4.638 4.340 -0.000 0.000 0.260 388 Q C 0.713 176.733 176.000 0.035 0.000 0.974 388 Q CA -0.249 55.407 55.803 -0.244 0.000 0.876 388 Q CB 1.876 30.550 28.738 -0.108 0.000 1.297 388 Q HN 0.764 nan 8.270 nan 0.000 0.446 389 T N 1.757 116.403 114.554 0.153 0.000 2.699 389 T HA -0.187 4.162 4.350 -0.000 0.000 0.268 389 T C 0.257 175.178 174.700 0.368 0.000 1.036 389 T CA 1.974 64.305 62.100 0.383 0.000 1.147 389 T CB -0.177 68.896 68.868 0.342 0.000 0.862 389 T HN 0.807 nan 8.240 nan 0.000 0.446 390 D N -0.023 120.494 120.400 0.196 0.000 2.368 390 D HA 0.116 4.756 4.640 -0.000 0.000 0.218 390 D C 0.214 176.554 176.300 0.067 0.000 1.112 390 D CA -0.126 53.940 54.000 0.110 0.000 0.834 390 D CB 0.194 41.038 40.800 0.072 0.000 0.953 390 D HN 0.093 nan 8.370 nan 0.000 0.505 391 K N 0.122 120.592 120.400 0.116 0.000 2.316 391 K HA 0.298 4.618 4.320 -0.000 0.000 0.251 391 K C 0.625 177.291 176.600 0.110 0.000 0.934 391 K CA -0.411 55.916 56.287 0.066 0.000 0.802 391 K CB 2.041 34.558 32.500 0.029 0.000 1.171 391 K HN 0.037 nan 8.250 nan 0.000 0.426 392 S N 0.634 116.355 115.700 0.035 0.000 2.446 392 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 392 S C 0.675 175.331 174.600 0.092 0.000 1.016 392 S CA 0.283 58.517 58.200 0.057 0.000 0.943 392 S CB -0.484 62.715 63.200 -0.002 0.000 0.786 392 S HN 0.751 nan 8.310 nan 0.000 0.508 393 N N 0.807 119.503 118.700 -0.006 0.000 2.509 393 N HA 0.518 5.258 4.740 -0.000 0.000 0.287 393 N C -0.304 175.037 175.510 -0.280 0.000 1.121 393 N CA -0.553 52.432 53.050 -0.108 0.000 0.977 393 N CB 1.421 39.856 38.487 -0.086 0.000 1.167 393 N HN 0.494 nan 8.380 nan 0.000 0.476 394 c N -0.836 117.464 118.600 -0.501 0.000 3.044 394 c HA 0.773 5.343 4.570 -0.000 0.000 0.315 394 c C -0.507 173.248 174.090 -0.559 0.000 1.320 394 c CA -0.684 55.162 56.329 -0.806 0.000 1.582 394 c CB 1.090 42.485 42.510 -1.857 0.000 2.039 394 c HN 0.734 nan 8.230 nan 0.000 0.466 395 T N 1.891 116.153 114.554 -0.486 0.000 2.786 395 T HA 0.502 4.852 4.350 -0.000 0.000 0.283 395 T C -0.733 173.739 174.700 -0.379 0.000 0.992 395 T CA 0.135 62.062 62.100 -0.288 0.000 0.954 395 T CB 0.379 69.192 68.868 -0.092 0.000 0.934 395 T HN 0.483 nan 8.240 nan 0.000 0.440 396 F N 3.273 123.074 119.950 -0.249 0.000 2.543 396 F HA 0.214 4.740 4.527 -0.000 0.000 0.375 396 F C 1.650 177.247 175.800 -0.338 0.000 1.075 396 F CA -0.605 57.236 58.000 -0.265 0.000 1.225 396 F CB 0.360 39.217 39.000 -0.237 0.000 1.099 396 F HN 0.596 nan 8.300 nan 0.000 0.561 397 I N -0.627 119.789 120.570 -0.256 0.000 3.941 397 I HA 0.199 4.369 4.170 -0.000 0.000 0.321 397 I C 0.367 176.337 176.117 -0.246 0.000 1.284 397 I CA 0.140 61.127 61.300 -0.522 0.000 1.226 397 I CB 0.055 37.559 38.000 -0.827 0.000 1.045 397 I HN 0.471 nan 8.210 nan 0.000 0.420 398 T N 0.315 114.765 114.554 -0.174 0.000 2.907 398 T HA 0.665 5.015 4.350 -0.000 0.000 0.292 398 T C -0.626 173.671 174.700 -0.671 0.000 1.043 398 T CA -0.729 61.246 62.100 -0.208 0.000 1.003 398 T CB 2.579 71.427 68.868 -0.032 0.000 1.084 398 T HN 0.383 nan 8.240 nan 0.000 0.483 399 K N 0.163 120.039 120.400 -0.872 0.000 2.555 399 K HA 0.780 5.100 4.320 -0.000 0.000 0.279 399 K C -0.509 175.493 176.600 -0.997 0.000 0.986 399 K CA -0.684 54.837 56.287 -1.277 0.000 0.880 399 K CB 1.609 33.726 32.500 -0.639 0.000 1.474 399 K HN 1.687 nan 8.250 nan 0.000 0.433 400 G N -0.609 107.658 108.800 -0.888 0.000 2.334 400 G HA2 0.327 4.287 3.960 -0.000 0.000 0.566 400 G HA3 0.327 4.287 3.960 -0.000 0.000 0.566 400 G C -0.904 173.500 174.900 -0.827 0.000 1.413 400 G CA -0.371 44.364 45.100 -0.608 0.000 0.993 400 G HN 0.866 nan 8.290 nan 0.000 0.642 401 A N 1.112 123.574 122.820 -0.596 0.000 2.958 401 A HA 0.565 4.885 4.320 -0.000 0.000 0.247 401 A C 0.406 177.749 177.584 -0.401 0.000 1.679 401 A CA 0.835 52.279 52.037 -0.989 0.000 1.345 401 A CB -1.246 17.479 19.000 -0.459 0.000 1.013 401 A HN 1.712 nan 8.150 nan 0.000 0.641 402 W N -0.878 120.222 121.300 -0.332 0.000 3.074 402 W HA 0.617 5.276 4.660 -0.000 0.000 0.332 402 W C -1.121 175.374 176.519 -0.040 0.000 1.253 402 W CA -0.868 56.452 57.345 -0.041 0.000 1.180 402 W CB 0.485 29.931 29.460 -0.024 0.000 1.445 402 W HN 0.181 nan 8.180 nan 0.000 0.573 403 E N 1.262 121.628 120.200 0.277 0.000 2.212 403 E HA 0.428 4.777 4.350 -0.000 0.000 0.268 403 E C -0.822 175.892 176.600 0.190 0.000 0.902 403 E CA -1.150 55.256 56.400 0.011 0.000 0.779 403 E CB 3.358 33.133 29.700 0.124 0.000 1.172 403 E HN 0.176 nan 8.360 nan 0.000 0.409 404 V N 4.315 124.224 119.914 -0.009 0.000 2.488 404 V HA 0.002 4.122 4.120 -0.000 0.000 0.277 404 V C 1.395 177.593 176.094 0.173 0.000 1.046 404 V CA -0.099 62.301 62.300 0.167 0.000 0.986 404 V CB 0.501 32.338 31.823 0.024 0.000 0.989 404 V HN 0.675 nan 8.190 nan 0.000 0.475 405 I N 3.117 123.824 120.570 0.228 0.000 2.339 405 I HA 0.250 4.420 4.170 -0.000 0.000 0.245 405 I C 1.121 177.367 176.117 0.216 0.000 1.096 405 I CA 1.198 62.638 61.300 0.233 0.000 1.408 405 I CB -0.935 37.161 38.000 0.160 0.000 1.092 405 I HN 0.747 nan 8.210 nan 0.000 0.423 406 G N 0.705 109.626 108.800 0.202 0.000 2.667 406 G HA2 0.542 4.502 3.960 -0.000 0.000 0.294 406 G HA3 0.542 4.502 3.960 -0.000 0.000 0.294 406 G C -1.319 173.666 174.900 0.140 0.000 1.467 406 G CA -0.590 44.617 45.100 0.178 0.000 0.852 406 G HN -0.020 nan 8.290 nan 0.000 0.521 407 I N 1.772 122.344 120.570 0.004 0.000 2.337 407 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 407 I C 1.117 177.131 176.117 -0.172 0.000 1.046 407 I CA -0.500 60.684 61.300 -0.194 0.000 1.324 407 I CB 1.659 39.273 38.000 -0.642 0.000 1.409 407 I HN 0.468 nan 8.210 nan 0.000 0.494 408 E N 4.742 124.915 120.200 -0.045 0.000 2.030 408 E HA 0.203 4.552 4.350 -0.000 0.000 0.189 408 E C 0.333 176.845 176.600 -0.146 0.000 0.974 408 E CA 0.673 57.069 56.400 -0.005 0.000 0.807 408 E CB 0.329 30.073 29.700 0.074 0.000 0.771 408 E HN 0.721 nan 8.360 nan 0.000 0.451 409 A N -0.264 122.343 122.820 -0.355 0.000 2.566 409 A HA 0.685 5.005 4.320 -0.000 0.000 0.292 409 A C -1.738 175.781 177.584 -0.109 0.000 1.112 409 A CA -0.580 51.246 52.037 -0.352 0.000 0.707 409 A CB 1.456 19.866 19.000 -0.984 0.000 1.302 409 A HN 0.084 nan 8.150 nan 0.000 0.409 410 L N 0.866 122.090 121.223 0.002 0.000 2.516 410 L HA 0.696 5.036 4.340 -0.000 0.000 0.267 410 L C -0.082 176.855 176.870 0.111 0.000 0.957 410 L CA 0.297 55.175 54.840 0.062 0.000 0.860 410 L CB 2.066 44.179 42.059 0.090 0.000 1.265 410 L HN 1.063 nan 8.230 nan 0.000 0.403 411 T N -0.200 114.431 114.554 0.129 0.000 2.938 411 T HA 0.415 4.765 4.350 -0.000 0.000 0.285 411 T C 1.096 175.842 174.700 0.077 0.000 1.028 411 T CA -0.039 62.137 62.100 0.126 0.000 1.005 411 T CB 1.360 70.335 68.868 0.179 0.000 1.157 411 T HN 0.659 nan 8.240 nan 0.000 0.550 412 S N -0.381 115.357 115.700 0.063 0.000 2.442 412 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 412 S C 1.007 175.574 174.600 -0.054 0.000 1.007 412 S CA 0.999 59.222 58.200 0.037 0.000 0.965 412 S CB -0.530 62.694 63.200 0.040 0.000 0.773 412 S HN 0.736 nan 8.310 nan 0.000 0.504 413 D N -0.482 119.831 120.400 -0.145 0.000 2.338 413 D HA 0.181 4.821 4.640 -0.000 0.000 0.224 413 D C -0.337 175.598 176.300 -0.608 0.000 0.967 413 D CA 0.758 54.490 54.000 -0.447 0.000 0.896 413 D CB 0.291 40.710 40.800 -0.635 0.000 1.028 413 D HN 0.444 nan 8.370 nan 0.000 0.493 414 Y N 0.087 120.341 120.300 -0.077 0.000 2.545 414 Y HA 0.378 4.927 4.550 -0.000 0.000 0.348 414 Y C -0.541 175.185 175.900 -0.291 0.000 1.002 414 Y CA -1.255 56.700 58.100 -0.242 0.000 1.039 414 Y CB 2.317 40.519 38.460 -0.431 0.000 1.271 414 Y HN -0.215 nan 8.280 nan 0.000 0.467 415 L N 3.651 124.755 121.223 -0.197 0.000 2.319 415 L HA 0.496 4.835 4.340 -0.000 0.000 0.281 415 L C -1.884 174.840 176.870 -0.242 0.000 1.005 415 L CA -1.180 53.525 54.840 -0.224 0.000 0.828 415 L CB 0.033 41.899 42.059 -0.323 0.000 1.227 415 L HN 0.586 nan 8.230 nan 0.000 0.415 416 Y N 6.344 126.552 120.300 -0.154 0.000 2.326 416 Y HA 0.543 5.093 4.550 -0.000 0.000 0.337 416 Y C -0.131 175.724 175.900 -0.075 0.000 1.023 416 Y CA -0.265 57.706 58.100 -0.216 0.000 1.143 416 Y CB 1.118 39.245 38.460 -0.556 0.000 1.183 416 Y HN 0.592 nan 8.280 nan 0.000 0.485 417 Y N 0.958 121.285 120.300 0.044 0.000 2.615 417 Y HA 0.792 5.342 4.550 -0.000 0.000 0.341 417 Y C -1.652 174.331 175.900 0.139 0.000 1.089 417 Y CA -1.865 56.268 58.100 0.056 0.000 1.049 417 Y CB 1.219 39.695 38.460 0.027 0.000 1.296 417 Y HN 0.268 nan 8.280 nan 0.000 0.470 418 I N 3.308 124.047 120.570 0.282 0.000 2.377 418 I HA 0.574 4.744 4.170 -0.000 0.000 0.293 418 I C -0.156 176.146 176.117 0.308 0.000 0.987 418 I CA -0.351 61.076 61.300 0.212 0.000 1.185 418 I CB 1.460 39.547 38.000 0.143 0.000 1.341 418 I HN 0.895 nan 8.210 nan 0.000 0.455 419 S N 4.060 119.915 115.700 0.260 0.000 2.720 419 S HA 0.471 4.941 4.470 -0.000 0.000 0.287 419 S C -0.269 174.398 174.600 0.112 0.000 1.168 419 S CA -0.756 57.578 58.200 0.223 0.000 0.832 419 S CB 2.032 65.380 63.200 0.246 0.000 1.166 419 S HN 0.614 nan 8.310 nan 0.000 0.493 420 N N -0.443 118.321 118.700 0.107 0.000 2.328 420 N HA 0.135 4.874 4.740 -0.000 0.000 0.247 420 N C 0.573 176.075 175.510 -0.014 0.000 1.165 420 N CA -0.051 53.022 53.050 0.037 0.000 0.873 420 N CB 0.191 38.696 38.487 0.031 0.000 1.125 420 N HN 0.840 nan 8.380 nan 0.000 0.513 421 E N 0.390 120.446 120.200 -0.240 0.000 2.051 421 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 421 E C -0.031 176.441 176.600 -0.214 0.000 0.991 421 E CA 0.590 56.634 56.400 -0.594 0.000 0.799 421 E CB -0.226 28.522 29.700 -1.586 0.000 0.748 421 E HN 0.491 nan 8.360 nan 0.000 0.449 422 H N 0.662 119.664 119.070 -0.114 0.000 3.094 422 H HA -0.009 4.547 4.556 -0.000 0.000 0.320 422 H C 0.102 175.410 175.328 -0.033 0.000 1.000 422 H CA 1.246 57.270 56.048 -0.040 0.000 1.413 422 H CB 0.357 30.119 29.762 -0.000 0.000 1.405 422 H HN 0.153 nan 8.280 nan 0.000 0.586 423 K N 2.835 122.955 120.400 -0.468 0.000 3.274 423 K HA -0.220 4.099 4.320 -0.000 0.000 0.305 423 K C 0.972 177.539 176.600 -0.054 0.000 1.225 423 K CA 1.193 57.316 56.287 -0.272 0.000 0.904 423 K CB -1.402 30.952 32.500 -0.243 0.000 1.227 423 K HN 1.111 nan 8.250 nan 0.000 0.453 424 G N 0.269 109.045 108.800 -0.040 0.000 2.258 424 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.274 424 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.274 424 G C -0.010 174.934 174.900 0.073 0.000 1.021 424 G CA 0.931 46.064 45.100 0.054 0.000 0.798 424 G HN 0.486 nan 8.290 nan 0.000 0.507 425 M N -1.346 118.200 119.600 -0.091 0.000 2.066 425 M HA 0.529 5.009 4.480 -0.000 0.000 0.340 425 M C -1.209 174.842 176.300 -0.416 0.000 1.053 425 M CA -2.370 52.651 55.300 -0.467 0.000 0.983 425 M CB 1.924 34.164 32.600 -0.601 0.000 1.520 425 M HN -0.123 nan 8.290 nan 0.000 0.428 426 P HA -0.101 nan 4.420 nan 0.000 0.219 426 P C 1.230 178.412 177.300 -0.197 0.000 1.146 426 P CA 1.653 64.635 63.100 -0.197 0.000 0.808 426 P CB -0.052 31.590 31.700 -0.097 0.000 0.779 427 G N -0.422 108.193 108.800 -0.307 0.000 2.956 427 G HA2 0.184 4.144 3.960 -0.000 0.000 0.207 427 G HA3 0.184 4.144 3.960 -0.000 0.000 0.207 427 G C 0.739 175.646 174.900 0.011 0.000 1.162 427 G CA 0.203 45.236 45.100 -0.112 0.000 0.796 427 G HN 0.461 nan 8.290 nan 0.000 0.527 428 G N -0.316 108.430 108.800 -0.088 0.000 2.432 428 G HA2 0.645 4.605 3.960 -0.000 0.000 0.331 428 G HA3 0.645 4.605 3.960 -0.000 0.000 0.331 428 G C -0.765 174.031 174.900 -0.174 0.000 1.170 428 G CA -0.796 44.280 45.100 -0.041 0.000 0.943 428 G HN 0.095 nan 8.290 nan 0.000 0.483 429 R N 1.289 121.640 120.500 -0.248 0.000 2.574 429 R HA 0.455 4.795 4.340 -0.000 0.000 0.288 429 R C -1.241 175.048 176.300 -0.018 0.000 1.004 429 R CA -0.837 55.104 56.100 -0.266 0.000 0.895 429 R CB 2.280 32.175 30.300 -0.675 0.000 1.191 429 R HN 0.596 nan 8.270 nan 0.000 0.444 430 N N 1.585 120.298 118.700 0.021 0.000 2.277 430 N HA 0.268 5.007 4.740 -0.000 0.000 0.286 430 N C -1.284 174.122 175.510 -0.174 0.000 1.140 430 N CA -0.828 52.158 53.050 -0.107 0.000 0.799 430 N CB 2.702 41.018 38.487 -0.286 0.000 1.596 430 N HN 0.242 nan 8.380 nan 0.000 0.473 431 L N 2.194 123.185 121.223 -0.385 0.000 2.331 431 L HA 0.405 4.744 4.340 -0.000 0.000 0.278 431 L C -1.340 175.173 176.870 -0.594 0.000 1.106 431 L CA 0.203 54.837 54.840 -0.344 0.000 0.824 431 L CB -0.269 41.586 42.059 -0.340 0.000 1.142 431 L HN 0.405 nan 8.230 nan 0.000 0.443 432 Y N 4.152 124.127 120.300 -0.543 0.000 2.499 432 Y HA 0.605 5.155 4.550 -0.000 0.000 0.347 432 Y C -0.200 175.331 175.900 -0.615 0.000 0.987 432 Y CA -0.720 56.970 58.100 -0.685 0.000 1.044 432 Y CB 1.625 39.413 38.460 -1.121 0.000 1.245 432 Y HN 0.544 nan 8.280 nan 0.000 0.461 433 R N 3.620 123.937 120.500 -0.305 0.000 2.409 433 R HA 0.644 4.984 4.340 -0.000 0.000 0.313 433 R C -1.879 174.319 176.300 -0.170 0.000 0.953 433 R CA -0.566 55.294 56.100 -0.400 0.000 0.849 433 R CB 0.920 30.871 30.300 -0.582 0.000 1.171 433 R HN 0.857 nan 8.270 nan 0.000 0.458 434 I N 2.883 123.433 120.570 -0.032 0.000 2.377 434 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 434 I C -0.396 175.805 176.117 0.139 0.000 0.987 434 I CA -0.602 60.774 61.300 0.126 0.000 1.185 434 I CB 1.732 39.885 38.000 0.255 0.000 1.341 434 I HN 0.680 nan 8.210 nan 0.000 0.455 435 Q N 4.631 124.545 119.800 0.189 0.000 2.304 435 Q HA 0.142 4.482 4.340 -0.000 0.000 0.260 435 Q C 0.523 176.572 176.000 0.082 0.000 0.965 435 Q CA -0.204 55.693 55.803 0.157 0.000 0.898 435 Q CB 1.511 30.323 28.738 0.123 0.000 1.196 435 Q HN 0.768 nan 8.270 nan 0.000 0.402 436 L N 3.654 124.863 121.223 -0.024 0.000 2.056 436 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 436 L C 1.605 178.408 176.870 -0.111 0.000 1.078 436 L CA 1.697 56.553 54.840 0.026 0.000 0.749 436 L CB -0.201 41.849 42.059 -0.015 0.000 0.901 436 L HN 0.739 nan 8.230 nan 0.000 0.433 437 N N -2.565 116.029 118.700 -0.177 0.000 2.467 437 N HA -0.020 4.720 4.740 -0.000 0.000 0.184 437 N C -0.330 174.996 175.510 -0.307 0.000 1.106 437 N CA 0.319 53.224 53.050 -0.241 0.000 0.892 437 N CB 0.028 38.417 38.487 -0.164 0.000 0.969 437 N HN 0.087 nan 8.380 nan 0.000 0.454 438 D N -0.654 119.587 120.400 -0.265 0.000 2.375 438 D HA 0.117 4.757 4.640 -0.000 0.000 0.241 438 D C -0.504 175.759 176.300 -0.062 0.000 1.361 438 D CA -0.578 53.300 54.000 -0.204 0.000 0.995 438 D CB 0.274 41.022 40.800 -0.087 0.000 1.312 438 D HN -0.104 nan 8.370 nan 0.000 0.576 439 Y N 0.776 121.069 120.300 -0.010 0.000 2.571 439 Y HA -0.085 4.465 4.550 -0.000 0.000 0.294 439 Y C 2.486 178.401 175.900 0.025 0.000 1.141 439 Y CA 1.105 59.208 58.100 0.006 0.000 1.308 439 Y CB -0.684 37.773 38.460 -0.005 0.000 1.002 439 Y HN 0.363 nan 8.280 nan 0.000 0.551 440 T N -2.467 112.170 114.554 0.140 0.000 2.896 440 T HA -0.050 4.299 4.350 -0.000 0.000 0.263 440 T C 0.965 175.718 174.700 0.087 0.000 1.050 440 T CA 0.275 62.433 62.100 0.097 0.000 1.140 440 T CB -0.153 68.747 68.868 0.053 0.000 0.877 440 T HN -0.019 nan 8.240 nan 0.000 0.457 441 K N 1.885 122.331 120.400 0.077 0.000 2.228 441 K HA 0.434 4.754 4.320 -0.000 0.000 0.284 441 K C -1.206 175.447 176.600 0.089 0.000 1.088 441 K CA -0.244 56.085 56.287 0.069 0.000 0.941 441 K CB 0.626 33.160 32.500 0.056 0.000 1.158 441 K HN 0.216 nan 8.250 nan 0.000 0.438 442 V N 3.502 123.466 119.914 0.083 0.000 2.482 442 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 442 V C -0.842 175.281 176.094 0.049 0.000 1.026 442 V CA -0.380 61.974 62.300 0.089 0.000 0.856 442 V CB 1.821 33.742 31.823 0.164 0.000 1.001 442 V HN 0.732 nan 8.190 nan 0.000 0.424 443 T N 3.410 117.950 114.554 -0.023 0.000 2.867 443 T HA 0.426 4.775 4.350 -0.000 0.000 0.282 443 T C -0.112 174.484 174.700 -0.174 0.000 1.000 443 T CA -0.506 61.543 62.100 -0.085 0.000 1.042 443 T CB 1.312 70.108 68.868 -0.121 0.000 0.973 443 T HN 0.865 nan 8.240 nan 0.000 0.465 444 C N 4.837 123.968 119.300 -0.281 0.000 2.246 444 C HA 0.445 4.905 4.460 -0.000 0.000 0.329 444 C C 1.568 176.249 174.990 -0.515 0.000 1.221 444 C CA -0.839 57.793 59.018 -0.643 0.000 1.697 444 C CB -2.020 25.217 27.740 -0.839 0.000 2.312 444 C HN 0.993 nan 8.230 nan 0.000 0.509 445 L N 4.755 125.666 121.223 -0.519 0.000 2.492 445 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 445 L C 2.092 178.680 176.870 -0.470 0.000 1.132 445 L CA 1.010 55.616 54.840 -0.391 0.000 0.850 445 L CB -0.375 41.493 42.059 -0.318 0.000 0.966 445 L HN 0.883 nan 8.230 nan 0.000 0.454 446 S N -3.320 111.996 115.700 -0.640 0.000 2.589 446 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 446 S C 1.743 175.982 174.600 -0.602 0.000 1.051 446 S CA -0.118 57.600 58.200 -0.804 0.000 0.978 446 S CB -0.322 62.037 63.200 -1.402 0.000 0.929 446 S HN 0.314 nan 8.310 nan 0.000 0.523 447 C N 1.897 120.841 119.300 -0.595 0.000 2.411 447 C HA 0.083 4.543 4.460 -0.000 0.000 0.279 447 C C 2.244 177.040 174.990 -0.324 0.000 1.288 447 C CA 1.243 59.899 59.018 -0.603 0.000 1.764 447 C CB -1.049 26.071 27.740 -1.033 0.000 1.974 447 C HN 0.614 nan 8.230 nan 0.000 0.498 448 E N -0.425 119.629 120.200 -0.242 0.000 2.526 448 E HA 0.230 4.580 4.350 -0.000 0.000 0.208 448 E C 1.767 178.328 176.600 -0.064 0.000 0.997 448 E CA -0.092 56.239 56.400 -0.114 0.000 0.961 448 E CB -0.045 29.593 29.700 -0.103 0.000 1.030 448 E HN 0.529 nan 8.360 nan 0.000 0.483 449 L N -0.321 120.861 121.223 -0.070 0.000 2.056 449 L HA 0.019 4.358 4.340 -0.000 0.000 0.207 449 L C 0.266 177.152 176.870 0.026 0.000 1.078 449 L CA 0.976 55.809 54.840 -0.012 0.000 0.749 449 L CB -0.039 42.022 42.059 0.003 0.000 0.901 449 L HN 0.026 nan 8.230 nan 0.000 0.433 450 N N -1.506 117.227 118.700 0.055 0.000 2.732 450 N HA 0.108 4.848 4.740 -0.000 0.000 0.235 450 N C -2.071 173.472 175.510 0.055 0.000 1.466 450 N CA -0.575 52.502 53.050 0.046 0.000 0.751 450 N CB 1.258 39.770 38.487 0.041 0.000 1.317 450 N HN -0.129 nan 8.380 nan 0.000 0.525 451 P HA -0.158 nan 4.420 nan 0.000 0.219 451 P C 0.549 177.889 177.300 0.066 0.000 1.146 451 P CA 1.328 64.470 63.100 0.071 0.000 0.808 451 P CB 0.599 32.341 31.700 0.070 0.000 0.779 452 E N -0.640 119.584 120.200 0.040 0.000 2.190 452 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 452 E C 2.211 178.819 176.600 0.013 0.000 0.978 452 E CA 0.350 56.767 56.400 0.029 0.000 0.839 452 E CB -0.061 29.650 29.700 0.018 0.000 0.787 452 E HN 0.257 nan 8.360 nan 0.000 0.473 453 R N -0.238 120.261 120.500 -0.001 0.000 2.140 453 R HA 0.078 4.418 4.340 -0.000 0.000 0.213 453 R C 0.050 176.319 176.300 -0.052 0.000 1.059 453 R CA 0.510 56.589 56.100 -0.036 0.000 1.000 453 R CB 0.439 30.707 30.300 -0.052 0.000 0.910 453 R HN -0.009 nan 8.270 nan 0.000 0.455 454 c N 0.592 119.175 118.600 -0.027 0.000 2.356 454 c HA 0.387 4.957 4.570 -0.000 0.000 0.324 454 c C 0.163 174.267 174.090 0.024 0.000 1.167 454 c CA -0.676 55.594 56.329 -0.098 0.000 1.420 454 c CB 1.370 43.788 42.510 -0.153 0.000 2.036 454 c HN 0.504 nan 8.230 nan 0.000 0.435 455 Q N 0.397 120.209 119.800 0.021 0.000 2.164 455 Q HA 0.232 4.572 4.340 -0.000 0.000 0.226 455 Q C -0.787 175.297 176.000 0.141 0.000 0.813 455 Q CA 0.217 56.090 55.803 0.117 0.000 0.978 455 Q CB 1.045 29.850 28.738 0.111 0.000 1.149 455 Q HN 0.796 nan 8.270 nan 0.000 0.489 456 Y N 0.326 120.577 120.300 -0.081 0.000 2.332 456 Y HA 0.417 4.967 4.550 -0.000 0.000 0.326 456 Y C -1.635 174.205 175.900 -0.099 0.000 0.978 456 Y CA -1.014 57.074 58.100 -0.021 0.000 1.205 456 Y CB 0.805 39.275 38.460 0.016 0.000 1.131 456 Y HN -0.099 nan 8.280 nan 0.000 0.462 457 Y N 2.869 123.160 120.300 -0.016 0.000 2.462 457 Y HA 0.560 5.110 4.550 -0.000 0.000 0.346 457 Y C -0.086 175.856 175.900 0.070 0.000 0.976 457 Y CA -0.642 57.481 58.100 0.038 0.000 1.044 457 Y CB 2.304 40.722 38.460 -0.069 0.000 1.230 457 Y HN 0.544 nan 8.280 nan 0.000 0.455 458 S N 2.159 118.083 115.700 0.373 0.000 2.599 458 S HA 0.973 5.443 4.470 -0.000 0.000 0.294 458 S C -1.188 173.573 174.600 0.270 0.000 1.094 458 S CA -0.536 57.857 58.200 0.323 0.000 0.931 458 S CB 1.948 65.410 63.200 0.437 0.000 1.093 458 S HN 0.917 nan 8.310 nan 0.000 0.488 459 A N 0.937 123.905 122.820 0.246 0.000 2.435 459 A HA 0.852 5.172 4.320 -0.000 0.000 0.304 459 A C -0.570 177.178 177.584 0.273 0.000 1.064 459 A CA -0.744 51.415 52.037 0.203 0.000 0.727 459 A CB 1.855 20.938 19.000 0.138 0.000 1.284 459 A HN 1.067 nan 8.150 nan 0.000 0.415 460 S N 0.808 116.648 115.700 0.233 0.000 2.659 460 S HA 0.722 5.191 4.470 -0.000 0.000 0.312 460 S C -1.440 173.330 174.600 0.284 0.000 1.114 460 S CA -0.312 58.112 58.200 0.373 0.000 1.063 460 S CB -0.029 63.441 63.200 0.450 0.000 0.996 460 S HN 0.423 nan 8.310 nan 0.000 0.478 461 F N 2.914 122.922 119.950 0.096 0.000 2.425 461 F HA 0.473 5.000 4.527 -0.000 0.000 0.331 461 F C 1.275 176.601 175.800 -0.789 0.000 1.085 461 F CA -0.378 57.482 58.000 -0.233 0.000 1.028 461 F CB 1.696 40.575 39.000 -0.202 0.000 1.177 461 F HN 0.633 nan 8.300 nan 0.000 0.487 462 S N 1.214 116.294 115.700 -1.034 0.000 2.606 462 S HA 0.088 4.558 4.470 -0.000 0.000 0.257 462 S C 1.058 175.480 174.600 -0.297 0.000 1.327 462 S CA -0.429 57.086 58.200 -1.143 0.000 0.984 462 S CB 0.316 62.969 63.200 -0.911 0.000 0.941 462 S HN 0.766 nan 8.310 nan 0.000 0.576 463 N N 0.721 119.367 118.700 -0.089 0.000 2.061 463 N HA -0.112 4.628 4.740 -0.000 0.000 0.193 463 N C 0.990 176.538 175.510 0.063 0.000 1.030 463 N CA 1.160 54.242 53.050 0.054 0.000 0.856 463 N CB -0.148 38.409 38.487 0.117 0.000 1.023 463 N HN 0.547 nan 8.380 nan 0.000 0.424 464 K N 0.533 120.971 120.400 0.063 0.000 2.493 464 K HA 0.251 4.571 4.320 -0.000 0.000 0.207 464 K C -0.118 176.518 176.600 0.060 0.000 1.033 464 K CA -0.120 56.212 56.287 0.076 0.000 1.161 464 K CB 0.916 33.472 32.500 0.092 0.000 0.873 464 K HN 0.173 nan 8.250 nan 0.000 0.491 465 A N 1.808 124.648 122.820 0.033 0.000 2.745 465 A HA -0.249 4.071 4.320 -0.000 0.000 0.296 465 A C 1.063 178.677 177.584 0.049 0.000 1.500 465 A CA 1.144 53.220 52.037 0.066 0.000 0.766 465 A CB -1.448 17.518 19.000 -0.057 0.000 1.030 465 A HN 0.409 nan 8.150 nan 0.000 0.489 466 K N -1.931 118.453 120.400 -0.027 0.000 2.284 466 K HA 0.173 4.493 4.320 -0.000 0.000 0.198 466 K C 0.017 176.316 176.600 -0.500 0.000 1.048 466 K CA 1.089 57.253 56.287 -0.206 0.000 0.987 466 K CB 0.304 32.700 32.500 -0.175 0.000 0.800 466 K HN 0.720 nan 8.250 nan 0.000 0.486 467 Y N -0.289 119.956 120.300 -0.092 0.000 2.581 467 Y HA 0.318 4.868 4.550 -0.000 0.000 0.345 467 Y C -0.725 175.019 175.900 -0.261 0.000 1.036 467 Y CA -1.631 56.388 58.100 -0.136 0.000 1.042 467 Y CB 1.709 40.154 38.460 -0.024 0.000 1.289 467 Y HN -0.030 nan 8.280 nan 0.000 0.471 468 Y N -0.981 119.232 120.300 -0.146 0.000 2.479 468 Y HA 0.493 5.042 4.550 -0.000 0.000 0.338 468 Y C -1.102 174.779 175.900 -0.031 0.000 1.055 468 Y CA -1.494 56.358 58.100 -0.413 0.000 1.023 468 Y CB 1.344 38.962 38.460 -1.403 0.000 1.287 468 Y HN 0.617 nan 8.280 nan 0.000 0.447 469 Q N 3.649 123.575 119.800 0.211 0.000 2.267 469 Q HA 0.500 4.840 4.340 -0.000 0.000 0.255 469 Q C -1.627 174.468 176.000 0.158 0.000 0.923 469 Q CA -0.599 55.291 55.803 0.145 0.000 0.925 469 Q CB 1.071 29.881 28.738 0.121 0.000 1.195 469 Q HN 0.956 nan 8.270 nan 0.000 0.417 470 L N 4.373 125.692 121.223 0.159 0.000 2.296 470 L HA 0.477 4.816 4.340 -0.000 0.000 0.286 470 L C -0.687 176.219 176.870 0.060 0.000 1.023 470 L CA -0.692 54.244 54.840 0.160 0.000 0.812 470 L CB 1.342 43.486 42.059 0.143 0.000 1.223 470 L HN 0.585 nan 8.230 nan 0.000 0.421 471 R N 2.537 123.037 120.500 -0.001 0.000 2.246 471 R HA 0.310 4.649 4.340 -0.000 0.000 0.332 471 R C -0.857 175.064 176.300 -0.632 0.000 0.974 471 R CA -0.231 55.572 56.100 -0.494 0.000 0.837 471 R CB 1.245 31.337 30.300 -0.345 0.000 1.145 471 R HN 0.507 nan 8.270 nan 0.000 0.467 472 c N 4.549 122.607 118.600 -0.903 0.000 2.307 472 c HA 0.477 5.047 4.570 -0.000 0.000 0.340 472 c C 0.318 173.940 174.090 -0.780 0.000 1.275 472 c CA -0.506 55.300 56.329 -0.871 0.000 1.811 472 c CB -0.723 41.369 42.510 -0.697 0.000 2.372 472 c HN 0.972 nan 8.230 nan 0.000 0.531 473 F N 3.853 123.663 119.950 -0.233 0.000 2.682 473 F HA 0.459 4.986 4.527 -0.000 0.000 0.308 473 F C 1.395 177.165 175.800 -0.051 0.000 1.093 473 F CA 0.708 58.651 58.000 -0.095 0.000 1.244 473 F CB 0.521 39.494 39.000 -0.045 0.000 1.052 473 F HN 0.952 nan 8.300 nan 0.000 0.573 474 G N 0.100 108.931 108.800 0.051 0.000 2.337 474 G HA2 0.126 4.085 3.960 -0.000 0.000 0.298 474 G HA3 0.126 4.085 3.960 -0.000 0.000 0.298 474 G C -2.608 172.305 174.900 0.022 0.000 1.335 474 G CA -0.642 44.497 45.100 0.065 0.000 0.875 474 G HN -0.319 nan 8.290 nan 0.000 0.579 475 P HA 0.159 nan 4.420 nan 0.000 0.236 475 P C 1.317 178.659 177.300 0.071 0.000 1.177 475 P CA 1.251 64.403 63.100 0.088 0.000 0.773 475 P CB 0.331 32.073 31.700 0.070 0.000 0.878 476 G N 0.551 109.321 108.800 -0.051 0.000 2.553 476 G HA2 0.326 4.286 3.960 -0.000 0.000 0.278 476 G HA3 0.326 4.286 3.960 -0.000 0.000 0.278 476 G C -0.165 174.499 174.900 -0.393 0.000 1.349 476 G CA -0.692 44.292 45.100 -0.192 0.000 1.037 476 G HN 0.033 nan 8.290 nan 0.000 0.508 477 L N 1.165 122.085 121.223 -0.506 0.000 2.490 477 L HA 0.133 4.473 4.340 -0.000 0.000 0.274 477 L C -1.848 174.870 176.870 -0.253 0.000 1.201 477 L CA -1.203 53.318 54.840 -0.532 0.000 0.869 477 L CB 0.607 42.441 42.059 -0.376 0.000 1.123 477 L HN 0.242 nan 8.230 nan 0.000 0.484 478 P HA 0.020 nan 4.420 nan 0.000 0.264 478 P C -0.848 176.380 177.300 -0.121 0.000 1.183 478 P CA 0.087 63.112 63.100 -0.126 0.000 0.763 478 P CB 0.542 32.298 31.700 0.094 0.000 0.807 479 L N 5.243 126.276 121.223 -0.316 0.000 2.409 479 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 479 L C -1.788 174.872 176.870 -0.350 0.000 0.980 479 L CA -0.612 54.114 54.840 -0.190 0.000 0.826 479 L CB 1.138 43.105 42.059 -0.155 0.000 1.268 479 L HN 0.204 nan 8.230 nan 0.000 0.407 480 Y N 2.814 123.023 120.300 -0.152 0.000 2.328 480 Y HA 0.734 5.284 4.550 -0.000 0.000 0.336 480 Y C 0.300 176.064 175.900 -0.227 0.000 0.960 480 Y CA -0.537 57.461 58.100 -0.171 0.000 1.134 480 Y CB 2.112 40.478 38.460 -0.156 0.000 1.166 480 Y HN 0.693 nan 8.280 nan 0.000 0.464 481 T N 0.808 115.329 114.554 -0.054 0.000 2.916 481 T HA 0.735 5.085 4.350 -0.000 0.000 0.292 481 T C -1.430 173.182 174.700 -0.147 0.000 1.055 481 T CA -0.901 61.118 62.100 -0.133 0.000 1.009 481 T CB 2.132 70.966 68.868 -0.056 0.000 1.118 481 T HN 0.374 nan 8.240 nan 0.000 0.497 482 L N 1.323 122.371 121.223 -0.291 0.000 2.346 482 L HA 0.732 5.071 4.340 -0.000 0.000 0.276 482 L C -1.115 175.486 176.870 -0.448 0.000 1.006 482 L CA -0.238 54.463 54.840 -0.232 0.000 0.817 482 L CB 1.434 43.389 42.059 -0.173 0.000 1.272 482 L HN 0.891 nan 8.230 nan 0.000 0.421 483 H N 0.702 119.536 119.070 -0.394 0.000 2.908 483 H HA 0.697 5.253 4.556 -0.000 0.000 0.350 483 H C -1.067 174.039 175.328 -0.371 0.000 1.217 483 H CA -0.655 55.069 56.048 -0.540 0.000 1.168 483 H CB 1.966 31.048 29.762 -1.133 0.000 1.891 483 H HN 0.499 nan 8.280 nan 0.000 0.566 484 S N -0.450 115.168 115.700 -0.136 0.000 2.482 484 S HA 0.265 4.735 4.470 -0.000 0.000 0.303 484 S C 0.410 174.962 174.600 -0.081 0.000 1.091 484 S CA -0.609 57.509 58.200 -0.137 0.000 1.057 484 S CB 0.960 64.117 63.200 -0.071 0.000 1.031 484 S HN 0.626 nan 8.310 nan 0.000 0.485 485 S N 2.930 118.595 115.700 -0.058 0.000 2.453 485 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 485 S C 2.069 176.711 174.600 0.069 0.000 1.005 485 S CA 1.170 59.459 58.200 0.150 0.000 0.949 485 S CB -0.250 63.041 63.200 0.152 0.000 0.774 485 S HN 0.883 nan 8.310 nan 0.000 0.510 486 S N 2.267 117.954 115.700 -0.023 0.000 2.357 486 S HA -0.061 4.409 4.470 -0.000 0.000 0.221 486 S C 1.970 176.575 174.600 0.009 0.000 1.031 486 S CA 1.167 59.368 58.200 0.001 0.000 0.982 486 S CB -0.552 62.627 63.200 -0.036 0.000 0.853 486 S HN 0.583 nan 8.310 nan 0.000 0.458 487 S N 0.304 116.002 115.700 -0.003 0.000 2.497 487 S HA 0.171 4.641 4.470 -0.000 0.000 0.218 487 S C 0.361 174.970 174.600 0.016 0.000 1.023 487 S CA 0.447 58.651 58.200 0.006 0.000 0.913 487 S CB -0.276 62.925 63.200 0.002 0.000 0.800 487 S HN 0.419 nan 8.310 nan 0.000 0.505 488 D N 0.574 120.996 120.400 0.037 0.000 3.076 488 D HA -0.143 4.497 4.640 -0.000 0.000 0.218 488 D C -0.091 176.261 176.300 0.087 0.000 1.156 488 D CA 0.927 54.972 54.000 0.076 0.000 0.921 488 D CB -1.206 39.623 40.800 0.048 0.000 1.113 488 D HN 0.541 nan 8.370 nan 0.000 0.418 489 K N 1.061 121.483 120.400 0.037 0.000 2.270 489 K HA 0.162 4.482 4.320 -0.000 0.000 0.276 489 K C 0.295 176.852 176.600 -0.072 0.000 1.023 489 K CA -0.174 56.114 56.287 0.003 0.000 0.955 489 K CB 0.730 33.219 32.500 -0.018 0.000 0.975 489 K HN -0.020 nan 8.250 nan 0.000 0.471 490 E N 4.148 124.261 120.200 -0.146 0.000 2.081 490 E HA -0.044 4.306 4.350 -0.000 0.000 0.270 490 E C 0.574 177.003 176.600 -0.286 0.000 1.180 490 E CA -0.332 55.815 56.400 -0.421 0.000 0.926 490 E CB 0.281 29.813 29.700 -0.281 0.000 1.035 490 E HN 0.474 nan 8.360 nan 0.000 0.418 491 L N 4.704 125.745 121.223 -0.304 0.000 1.994 491 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 491 L C 1.046 177.830 176.870 -0.144 0.000 1.071 491 L CA 1.743 56.488 54.840 -0.158 0.000 0.745 491 L CB -0.742 41.254 42.059 -0.105 0.000 0.892 491 L HN 0.639 nan 8.230 nan 0.000 0.431 492 R N -2.813 117.568 120.500 -0.198 0.000 2.690 492 R HA 0.451 4.791 4.340 -0.000 0.000 0.269 492 R C -1.513 174.657 176.300 -0.218 0.000 1.037 492 R CA -0.829 55.171 56.100 -0.167 0.000 0.877 492 R CB 1.232 31.462 30.300 -0.118 0.000 1.255 492 R HN -0.265 nan 8.270 nan 0.000 0.467 493 V N 3.346 123.154 119.914 -0.178 0.000 2.408 493 V HA 0.132 4.252 4.120 -0.000 0.000 0.267 493 V C 1.470 177.415 176.094 -0.249 0.000 1.047 493 V CA -0.283 61.906 62.300 -0.184 0.000 0.937 493 V CB 0.883 32.635 31.823 -0.118 0.000 0.999 493 V HN 0.646 nan 8.190 nan 0.000 0.472 494 L N 2.833 123.823 121.223 -0.388 0.000 2.162 494 L HA 0.234 4.574 4.340 -0.000 0.000 0.205 494 L C 0.814 177.422 176.870 -0.438 0.000 1.086 494 L CA 0.846 55.255 54.840 -0.718 0.000 0.778 494 L CB 0.130 41.299 42.059 -1.482 0.000 0.928 494 L HN 0.660 nan 8.230 nan 0.000 0.446 495 E N -0.222 119.855 120.200 -0.204 0.000 2.343 495 E HA 0.089 4.439 4.350 -0.000 0.000 0.288 495 E C -1.129 175.491 176.600 0.035 0.000 0.907 495 E CA -0.296 56.084 56.400 -0.033 0.000 0.792 495 E CB 1.041 30.744 29.700 0.004 0.000 1.275 495 E HN 0.160 nan 8.360 nan 0.000 0.402 496 D N 3.050 123.452 120.400 0.003 0.000 2.433 496 D HA 0.135 4.775 4.640 -0.000 0.000 0.211 496 D C -0.168 176.128 176.300 -0.006 0.000 1.114 496 D CA -0.249 53.746 54.000 -0.007 0.000 0.837 496 D CB 0.032 40.812 40.800 -0.032 0.000 0.984 496 D HN 0.454 nan 8.370 nan 0.000 0.505 497 N N 0.418 119.126 118.700 0.013 0.000 2.735 497 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 497 N C 0.922 176.431 175.510 -0.001 0.000 1.083 497 N CA 0.871 53.929 53.050 0.013 0.000 0.703 497 N CB -1.176 37.321 38.487 0.018 0.000 1.005 497 N HN 0.476 nan 8.380 nan 0.000 0.550 498 S N -1.250 114.448 115.700 -0.003 0.000 2.402 498 S HA 0.002 4.472 4.470 -0.000 0.000 0.229 498 S C 2.081 176.690 174.600 0.014 0.000 1.021 498 S CA 0.871 59.070 58.200 -0.002 0.000 0.974 498 S CB -0.054 63.143 63.200 -0.004 0.000 0.800 498 S HN 0.478 nan 8.310 nan 0.000 0.484 499 A N 1.691 124.522 122.820 0.019 0.000 1.933 499 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 499 A C 2.200 179.818 177.584 0.057 0.000 1.175 499 A CA 1.471 53.525 52.037 0.028 0.000 0.628 499 A CB -0.773 18.238 19.000 0.017 0.000 0.814 499 A HN 0.530 nan 8.150 nan 0.000 0.444 500 L N 0.025 121.290 121.223 0.069 0.000 2.156 500 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 500 L C 1.940 178.878 176.870 0.113 0.000 1.095 500 L CA 2.308 57.224 54.840 0.127 0.000 0.770 500 L CB -0.481 41.655 42.059 0.129 0.000 0.914 500 L HN 0.505 nan 8.230 nan 0.000 0.439 501 D N -0.410 120.018 120.400 0.046 0.000 2.117 501 D HA -0.285 4.354 4.640 -0.000 0.000 0.197 501 D C 2.063 178.395 176.300 0.052 0.000 0.987 501 D CA 1.339 55.352 54.000 0.021 0.000 0.829 501 D CB 0.296 41.089 40.800 -0.012 0.000 0.961 501 D HN 0.337 nan 8.370 nan 0.000 0.460 502 K N 0.108 120.543 120.400 0.059 0.000 2.057 502 K HA -0.097 4.222 4.320 -0.000 0.000 0.207 502 K C 2.346 179.009 176.600 0.106 0.000 1.049 502 K CA 1.029 57.355 56.287 0.065 0.000 0.931 502 K CB -0.093 32.436 32.500 0.048 0.000 0.714 502 K HN 0.120 nan 8.250 nan 0.000 0.440 503 M N 0.039 119.733 119.600 0.156 0.000 2.175 503 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 503 M C 1.915 178.434 176.300 0.364 0.000 1.063 503 M CA 1.322 56.782 55.300 0.267 0.000 1.119 503 M CB -0.112 32.679 32.600 0.318 0.000 1.377 503 M HN 0.145 nan 8.290 nan 0.000 0.415 504 L N 0.195 121.569 121.223 0.251 0.000 2.313 504 L HA -0.168 4.172 4.340 -0.000 0.000 0.214 504 L C 2.583 179.499 176.870 0.077 0.000 1.119 504 L CA 0.827 55.739 54.840 0.121 0.000 0.809 504 L CB -0.508 41.581 42.059 0.050 0.000 0.933 504 L HN 0.450 nan 8.230 nan 0.000 0.449 505 Q N -1.234 118.616 119.800 0.084 0.000 2.435 505 Q HA -0.165 4.175 4.340 -0.000 0.000 0.207 505 Q C 0.799 176.847 176.000 0.080 0.000 0.956 505 Q CA 1.019 56.860 55.803 0.063 0.000 0.917 505 Q CB -0.120 28.648 28.738 0.050 0.000 0.997 505 Q HN 0.217 nan 8.270 nan 0.000 0.497 506 D N 0.469 120.939 120.400 0.116 0.000 2.340 506 D HA 0.157 4.797 4.640 -0.000 0.000 0.217 506 D C -1.018 175.370 176.300 0.147 0.000 1.081 506 D CA -0.091 53.985 54.000 0.127 0.000 0.842 506 D CB 0.869 41.753 40.800 0.141 0.000 0.934 506 D HN 0.070 nan 8.370 nan 0.000 0.511 507 V N 0.611 120.597 119.914 0.120 0.000 2.789 507 V HA 0.269 4.389 4.120 -0.000 0.000 0.311 507 V C -0.754 175.357 176.094 0.028 0.000 1.073 507 V CA -0.778 61.578 62.300 0.093 0.000 0.921 507 V CB 2.254 34.119 31.823 0.071 0.000 1.009 507 V HN -0.156 nan 8.190 nan 0.000 0.426 508 Q N 4.920 124.733 119.800 0.021 0.000 2.641 508 Q HA 0.249 4.589 4.340 -0.000 0.000 0.225 508 Q C -0.351 175.608 176.000 -0.068 0.000 1.309 508 Q CA -0.196 55.584 55.803 -0.038 0.000 0.935 508 Q CB 0.295 29.002 28.738 -0.052 0.000 1.557 508 Q HN 0.532 nan 8.270 nan 0.000 0.563 509 M N 4.130 123.680 119.600 -0.083 0.000 2.233 509 M HA 0.279 4.759 4.480 -0.000 0.000 0.350 509 M C -1.988 174.238 176.300 -0.123 0.000 1.176 509 M CA -2.198 53.035 55.300 -0.113 0.000 1.150 509 M CB 0.307 32.854 32.600 -0.089 0.000 1.530 509 M HN 0.343 nan 8.290 nan 0.000 0.459 510 P HA 0.257 nan 4.420 nan 0.000 0.276 510 P C -0.934 176.288 177.300 -0.131 0.000 1.261 510 P CA -0.442 62.565 63.100 -0.154 0.000 0.800 510 P CB 0.591 32.183 31.700 -0.179 0.000 1.066 511 S N -0.503 115.111 115.700 -0.144 0.000 2.537 511 S HA 0.518 4.987 4.470 -0.000 0.000 0.301 511 S C -0.450 174.065 174.600 -0.142 0.000 1.092 511 S CA -0.822 57.309 58.200 -0.116 0.000 1.048 511 S CB 1.505 64.643 63.200 -0.102 0.000 1.053 511 S HN 0.426 nan 8.310 nan 0.000 0.501 512 K N 1.591 121.934 120.400 -0.095 0.000 2.339 512 K HA 0.323 4.643 4.320 -0.000 0.000 0.264 512 K C -0.854 175.698 176.600 -0.080 0.000 0.986 512 K CA -0.476 55.754 56.287 -0.094 0.000 0.866 512 K CB 0.775 33.239 32.500 -0.059 0.000 1.103 512 K HN 0.596 nan 8.250 nan 0.000 0.441 513 K N 5.029 125.359 120.400 -0.116 0.000 2.213 513 K HA 0.284 4.604 4.320 -0.000 0.000 0.270 513 K C -1.163 175.367 176.600 -0.116 0.000 1.002 513 K CA -0.760 55.463 56.287 -0.106 0.000 0.868 513 K CB 0.854 33.268 32.500 -0.143 0.000 1.093 513 K HN 0.479 nan 8.250 nan 0.000 0.454 514 L N 4.230 125.421 121.223 -0.053 0.000 2.287 514 L HA 0.355 4.695 4.340 -0.000 0.000 0.287 514 L C -0.098 176.735 176.870 -0.061 0.000 1.022 514 L CA 0.179 55.018 54.840 -0.001 0.000 0.814 514 L CB 1.249 43.417 42.059 0.181 0.000 1.217 514 L HN 0.667 nan 8.230 nan 0.000 0.420 515 D N 1.279 121.469 120.400 -0.351 0.000 2.664 515 D HA 0.665 5.305 4.640 -0.000 0.000 0.292 515 D C -1.516 174.478 176.300 -0.511 0.000 1.214 515 D CA -0.169 53.559 54.000 -0.453 0.000 0.932 515 D CB 2.850 43.419 40.800 -0.386 0.000 1.420 515 D HN 0.184 nan 8.370 nan 0.000 0.471 516 V N -0.611 119.137 119.914 -0.278 0.000 2.735 516 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 516 V C -0.136 176.085 176.094 0.211 0.000 1.061 516 V CA -0.854 61.367 62.300 -0.131 0.000 0.913 516 V CB 1.445 32.935 31.823 -0.556 0.000 1.005 516 V HN 0.525 nan 8.190 nan 0.000 0.428 517 I N 0.484 121.225 120.570 0.286 0.000 3.002 517 I HA 0.745 4.915 4.170 -0.000 0.000 0.310 517 I C -0.725 175.456 176.117 0.105 0.000 1.087 517 I CA -0.935 60.447 61.300 0.138 0.000 1.017 517 I CB 2.191 40.188 38.000 -0.004 0.000 1.226 517 I HN 0.563 nan 8.210 nan 0.000 0.443 518 N N 3.497 122.211 118.700 0.023 0.000 2.419 518 N HA 0.737 5.477 4.740 -0.000 0.000 0.277 518 N C -1.399 174.098 175.510 -0.022 0.000 1.006 518 N CA -0.425 52.634 53.050 0.014 0.000 0.923 518 N CB 1.532 40.008 38.487 -0.020 0.000 1.140 518 N HN 0.472 nan 8.380 nan 0.000 0.488 519 L N 2.080 123.313 121.223 0.016 0.000 2.408 519 L HA 0.397 4.737 4.340 -0.000 0.000 0.268 519 L C -0.420 176.218 176.870 -0.386 0.000 0.986 519 L CA -1.052 53.624 54.840 -0.274 0.000 0.820 519 L CB 1.476 43.299 42.059 -0.394 0.000 1.303 519 L HN 0.819 nan 8.230 nan 0.000 0.411 520 H N 0.453 119.583 119.070 0.100 0.000 2.484 520 H HA -0.181 4.375 4.556 -0.000 0.000 0.321 520 H C 1.037 176.397 175.328 0.053 0.000 1.065 520 H CA 0.602 56.687 56.048 0.061 0.000 1.118 520 H CB -1.957 27.829 29.762 0.039 0.000 1.511 520 H HN 1.065 nan 8.280 nan 0.000 0.403 521 G N -0.766 108.076 108.800 0.069 0.000 2.198 521 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 521 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 521 G C 0.082 174.992 174.900 0.016 0.000 1.025 521 G CA 0.498 45.620 45.100 0.037 0.000 0.769 521 G HN 0.942 nan 8.290 nan 0.000 0.507 522 T N 0.174 114.726 114.554 -0.003 0.000 2.971 522 T HA 0.520 4.870 4.350 -0.000 0.000 0.304 522 T C -0.074 174.459 174.700 -0.279 0.000 1.038 522 T CA -0.649 61.357 62.100 -0.156 0.000 1.007 522 T CB 1.661 70.418 68.868 -0.185 0.000 1.055 522 T HN 0.588 nan 8.240 nan 0.000 0.451 523 K N 2.832 123.059 120.400 -0.289 0.000 2.297 523 K HA 0.562 4.882 4.320 -0.000 0.000 0.286 523 K C -1.249 175.169 176.600 -0.303 0.000 1.053 523 K CA -0.388 55.782 56.287 -0.196 0.000 0.940 523 K CB 0.546 32.969 32.500 -0.128 0.000 1.019 523 K HN 0.381 nan 8.250 nan 0.000 0.475 524 F N 1.657 121.711 119.950 0.173 0.000 2.522 524 F HA 0.363 4.890 4.527 -0.000 0.000 0.324 524 F C -0.393 175.608 175.800 0.334 0.000 1.077 524 F CA -0.954 57.224 58.000 0.297 0.000 0.944 524 F CB 1.213 40.451 39.000 0.397 0.000 1.175 524 F HN 0.499 nan 8.300 nan 0.000 0.468 525 W N 3.017 124.592 121.300 0.458 0.000 2.316 525 W HA 0.445 5.105 4.660 -0.000 0.000 0.321 525 W C -0.669 176.155 176.519 0.509 0.000 1.203 525 W CA -0.351 57.221 57.345 0.377 0.000 1.214 525 W CB 0.646 30.241 29.460 0.225 0.000 1.169 525 W HN 0.405 nan 8.180 nan 0.000 0.561 526 Y N 0.387 121.030 120.300 0.571 0.000 2.615 526 Y HA 0.652 5.202 4.550 -0.000 0.000 0.341 526 Y C -0.982 175.124 175.900 0.344 0.000 1.089 526 Y CA -1.741 56.676 58.100 0.529 0.000 1.049 526 Y CB 1.196 40.078 38.460 0.703 0.000 1.296 526 Y HN 0.560 nan 8.280 nan 0.000 0.470 527 Q N 2.711 122.668 119.800 0.262 0.000 2.423 527 Q HA 0.734 5.074 4.340 -0.000 0.000 0.278 527 Q C -1.745 174.304 176.000 0.080 0.000 1.097 527 Q CA -1.209 54.623 55.803 0.049 0.000 0.809 527 Q CB 3.293 32.078 28.738 0.077 0.000 1.391 527 Q HN 0.836 nan 8.270 nan 0.000 0.428 528 M N 2.779 122.356 119.600 -0.039 0.000 2.204 528 M HA 0.429 4.908 4.480 -0.000 0.000 0.293 528 M C -1.344 174.865 176.300 -0.151 0.000 0.994 528 M CA -0.587 54.660 55.300 -0.088 0.000 0.925 528 M CB 2.140 34.665 32.600 -0.125 0.000 1.577 528 M HN 0.675 nan 8.290 nan 0.000 0.439 529 I N 4.846 125.331 120.570 -0.142 0.000 2.308 529 I HA 0.262 4.432 4.170 -0.000 0.000 0.293 529 I C -0.575 175.382 176.117 -0.266 0.000 1.078 529 I CA -0.126 61.066 61.300 -0.180 0.000 1.292 529 I CB 0.333 38.249 38.000 -0.141 0.000 1.423 529 I HN 0.494 nan 8.210 nan 0.000 0.493 530 L N 8.738 129.749 121.223 -0.354 0.000 2.307 530 L HA 0.483 4.823 4.340 -0.000 0.000 0.282 530 L C -2.161 174.483 176.870 -0.376 0.000 1.051 530 L CA -1.962 52.560 54.840 -0.530 0.000 0.804 530 L CB 0.874 42.400 42.059 -0.888 0.000 1.197 530 L HN 0.266 nan 8.230 nan 0.000 0.431 531 P HA 0.034 nan 4.420 nan 0.000 0.267 531 P C -2.479 174.737 177.300 -0.139 0.000 1.201 531 P CA -0.742 62.237 63.100 -0.201 0.000 0.775 531 P CB -0.226 31.387 31.700 -0.146 0.000 0.854 532 P HA -0.003 nan 4.420 nan 0.000 0.266 532 P C -0.660 176.544 177.300 -0.161 0.000 1.195 532 P CA 0.445 63.398 63.100 -0.245 0.000 0.768 532 P CB -0.343 31.130 31.700 -0.378 0.000 0.838 533 H N -1.158 117.949 119.070 0.061 0.000 2.672 533 H HA -0.215 4.341 4.556 -0.000 0.000 0.325 533 H C -0.221 175.182 175.328 0.125 0.000 1.158 533 H CA -0.527 55.566 56.048 0.076 0.000 1.134 533 H CB -2.023 27.774 29.762 0.059 0.000 1.553 533 H HN 0.315 nan 8.280 nan 0.000 0.419 534 F N 2.377 122.343 119.950 0.027 0.000 2.541 534 F HA 0.185 4.711 4.527 -0.000 0.000 0.378 534 F C 0.425 176.244 175.800 0.032 0.000 1.068 534 F CA -0.603 57.363 58.000 -0.057 0.000 1.199 534 F CB 0.545 39.416 39.000 -0.214 0.000 1.091 534 F HN 0.314 nan 8.300 nan 0.000 0.555 535 D N 5.577 125.758 120.400 -0.365 0.000 2.381 535 D HA 0.219 4.859 4.640 -0.000 0.000 0.235 535 D C 0.595 176.566 176.300 -0.548 0.000 1.068 535 D CA -0.364 53.435 54.000 -0.335 0.000 0.832 535 D CB 1.363 42.122 40.800 -0.068 0.000 1.101 535 D HN 0.623 nan 8.370 nan 0.000 0.515 536 K N 1.116 121.198 120.400 -0.530 0.000 2.283 536 K HA -0.084 4.235 4.320 -0.000 0.000 0.202 536 K C 1.728 178.304 176.600 -0.038 0.000 1.048 536 K CA 1.011 57.109 56.287 -0.315 0.000 0.948 536 K CB 0.218 32.623 32.500 -0.158 0.000 0.742 536 K HN 0.458 nan 8.250 nan 0.000 0.458 537 S N 0.595 116.253 115.700 -0.070 0.000 2.377 537 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 537 S C 1.008 175.583 174.600 -0.041 0.000 1.030 537 S CA 0.270 58.450 58.200 -0.033 0.000 0.970 537 S CB -0.014 63.158 63.200 -0.047 0.000 0.830 537 S HN 0.084 nan 8.310 nan 0.000 0.473 538 K N 1.714 122.059 120.400 -0.092 0.000 2.258 538 K HA 0.163 4.483 4.320 -0.000 0.000 0.264 538 K C -0.516 175.964 176.600 -0.201 0.000 1.007 538 K CA -0.101 56.071 56.287 -0.192 0.000 0.941 538 K CB 0.391 32.695 32.500 -0.327 0.000 0.966 538 K HN 0.123 nan 8.250 nan 0.000 0.480 539 K N 3.381 123.638 120.400 -0.239 0.000 2.234 539 K HA 0.177 4.497 4.320 -0.000 0.000 0.277 539 K C -1.041 175.409 176.600 -0.251 0.000 1.038 539 K CA -0.344 55.862 56.287 -0.135 0.000 0.888 539 K CB 0.844 33.289 32.500 -0.092 0.000 1.091 539 K HN 0.419 nan 8.250 nan 0.000 0.467 540 Y N 3.041 123.373 120.300 0.054 0.000 2.387 540 Y HA 0.260 4.810 4.550 -0.000 0.000 0.336 540 Y C -1.826 174.009 175.900 -0.109 0.000 1.067 540 Y CA -2.414 55.692 58.100 0.009 0.000 1.114 540 Y CB 1.098 39.630 38.460 0.120 0.000 1.208 540 Y HN 0.467 nan 8.280 nan 0.000 0.458 541 P HA 0.130 nan 4.420 nan 0.000 0.275 541 P C -0.946 176.148 177.300 -0.342 0.000 1.228 541 P CA -0.124 62.676 63.100 -0.500 0.000 0.786 541 P CB 1.431 32.457 31.700 -1.123 0.000 0.927 542 L N 3.410 124.468 121.223 -0.274 0.000 2.322 542 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 542 L C -0.533 176.485 176.870 0.246 0.000 1.014 542 L CA -1.173 53.671 54.840 0.007 0.000 0.815 542 L CB 1.540 43.623 42.059 0.041 0.000 1.247 542 L HN 0.279 nan 8.230 nan 0.000 0.421 543 L N 5.908 127.310 121.223 0.298 0.000 2.325 543 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 543 L C -0.759 176.340 176.870 0.380 0.000 1.004 543 L CA -0.287 54.811 54.840 0.430 0.000 0.823 543 L CB 1.361 43.657 42.059 0.395 0.000 1.236 543 L HN 0.344 nan 8.230 nan 0.000 0.415 544 I N 4.024 124.870 120.570 0.460 0.000 2.352 544 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 544 I C 0.316 176.667 176.117 0.389 0.000 1.036 544 I CA -0.018 61.531 61.300 0.414 0.000 1.336 544 I CB 0.942 39.233 38.000 0.486 0.000 1.407 544 I HN 0.731 nan 8.210 nan 0.000 0.497 545 E N 5.550 125.934 120.200 0.308 0.000 2.167 545 E HA 0.428 4.778 4.350 -0.000 0.000 0.284 545 E C -1.275 175.376 176.600 0.085 0.000 1.016 545 E CA -0.319 56.151 56.400 0.117 0.000 0.817 545 E CB 1.583 31.411 29.700 0.214 0.000 1.080 545 E HN 0.439 nan 8.360 nan 0.000 0.397 546 V N 5.537 125.440 119.914 -0.019 0.000 2.735 546 V HA 0.318 4.438 4.120 -0.000 0.000 0.310 546 V C -1.129 175.050 176.094 0.141 0.000 1.061 546 V CA -0.289 62.074 62.300 0.105 0.000 0.913 546 V CB 1.609 33.506 31.823 0.123 0.000 1.005 546 V HN 0.908 nan 8.190 nan 0.000 0.428 547 Y N 4.957 125.315 120.300 0.097 0.000 2.886 547 Y HA 0.531 5.081 4.550 -0.000 0.000 0.244 547 Y C 1.616 177.655 175.900 0.231 0.000 1.017 547 Y CA 1.318 59.509 58.100 0.153 0.000 1.389 547 Y CB 0.221 38.752 38.460 0.119 0.000 1.477 547 Y HN 0.988 nan 8.280 nan 0.000 0.466 548 A N 0.760 123.735 122.820 0.259 0.000 2.861 548 A HA -0.185 4.135 4.320 -0.000 0.000 0.261 548 A C 1.020 178.546 177.584 -0.097 0.000 1.351 548 A CA 0.904 53.027 52.037 0.144 0.000 0.904 548 A CB -2.469 16.650 19.000 0.198 0.000 1.076 548 A HN 0.892 nan 8.150 nan 0.000 0.729 549 G N -0.276 108.303 108.800 -0.369 0.000 2.544 549 G HA2 0.458 4.417 3.960 -0.000 0.000 0.242 549 G HA3 0.458 4.417 3.960 -0.000 0.000 0.242 549 G C -1.795 172.856 174.900 -0.414 0.000 1.247 549 G CA -0.439 44.072 45.100 -0.981 0.000 0.840 549 G HN 0.406 nan 8.290 nan 0.000 0.578 550 P HA 0.072 nan 4.420 nan 0.000 0.264 550 P C 0.523 177.664 177.300 -0.266 0.000 1.193 550 P CA 0.028 62.847 63.100 -0.468 0.000 0.763 550 P CB 0.672 31.662 31.700 -1.184 0.000 0.810 551 C N 1.225 120.452 119.300 -0.122 0.000 4.593 551 C HA -0.146 4.314 4.460 -0.000 0.000 0.263 551 C C 1.244 176.256 174.990 0.037 0.000 1.378 551 C CA 1.331 60.239 59.018 -0.182 0.000 1.666 551 C CB -2.873 24.514 27.740 -0.588 0.000 1.603 551 C HN 0.819 nan 8.230 nan 0.000 0.704 552 S N -0.310 115.498 115.700 0.180 0.000 2.672 552 S HA 0.641 5.111 4.470 -0.000 0.000 0.276 552 S C -0.751 174.017 174.600 0.281 0.000 1.207 552 S CA -0.265 58.120 58.200 0.308 0.000 1.002 552 S CB 1.890 65.346 63.200 0.427 0.000 0.998 552 S HN 0.579 nan 8.310 nan 0.000 0.542 553 Q N 0.319 120.296 119.800 0.296 0.000 2.337 553 Q HA 0.355 4.695 4.340 -0.000 0.000 0.260 553 Q C -0.162 175.936 176.000 0.163 0.000 0.982 553 Q CA -0.646 55.317 55.803 0.267 0.000 0.734 553 Q CB 1.119 30.072 28.738 0.359 0.000 1.272 553 Q HN 0.704 nan 8.270 nan 0.000 0.461 554 K N 1.782 122.278 120.400 0.159 0.000 2.314 554 K HA 0.148 4.467 4.320 -0.000 0.000 0.198 554 K C -0.075 176.600 176.600 0.125 0.000 1.045 554 K CA 0.447 56.813 56.287 0.132 0.000 0.988 554 K CB 0.785 33.390 32.500 0.174 0.000 0.783 554 K HN 0.408 nan 8.250 nan 0.000 0.484 555 V N 4.012 124.018 119.914 0.153 0.000 2.304 555 V HA 0.096 4.215 4.120 -0.000 0.000 0.269 555 V C -0.492 175.662 176.094 0.100 0.000 1.036 555 V CA -0.629 61.767 62.300 0.160 0.000 0.840 555 V CB 0.672 32.653 31.823 0.263 0.000 1.036 555 V HN 0.282 nan 8.190 nan 0.000 0.466 556 D N 2.297 122.728 120.400 0.052 0.000 2.798 556 D HA 0.418 5.057 4.640 -0.000 0.000 0.308 556 D C 0.387 176.691 176.300 0.007 0.000 1.187 556 D CA -0.186 53.832 54.000 0.031 0.000 1.033 556 D CB 1.442 42.256 40.800 0.023 0.000 1.445 556 D HN 0.277 nan 8.370 nan 0.000 0.550 557 T N -2.040 112.536 114.554 0.036 0.000 3.258 557 T HA 0.400 4.750 4.350 -0.000 0.000 0.263 557 T C 0.094 174.775 174.700 -0.032 0.000 0.983 557 T CA -0.500 61.623 62.100 0.038 0.000 0.907 557 T CB -0.757 68.173 68.868 0.103 0.000 1.096 557 T HN 0.275 nan 8.240 nan 0.000 0.556 558 V N 2.330 122.116 119.914 -0.213 0.000 2.583 558 V HA 0.368 4.488 4.120 -0.000 0.000 0.287 558 V C 0.107 176.185 176.094 -0.026 0.000 1.051 558 V CA -1.076 61.087 62.300 -0.230 0.000 1.010 558 V CB 0.297 31.830 31.823 -0.483 0.000 0.988 558 V HN 0.588 nan 8.190 nan 0.000 0.478 559 F N 6.017 125.933 119.950 -0.056 0.000 2.467 559 F HA 0.480 5.007 4.527 -0.000 0.000 0.362 559 F C 0.596 176.391 175.800 -0.008 0.000 1.090 559 F CA -0.020 57.962 58.000 -0.029 0.000 1.202 559 F CB 0.189 39.185 39.000 -0.006 0.000 1.113 559 F HN 0.397 nan 8.300 nan 0.000 0.541 560 R N 6.279 126.373 120.500 -0.677 0.000 2.510 560 R HA 0.312 4.652 4.340 -0.000 0.000 0.294 560 R C -1.698 174.249 176.300 -0.590 0.000 1.056 560 R CA -1.084 54.755 56.100 -0.435 0.000 0.918 560 R CB 1.412 31.588 30.300 -0.208 0.000 1.187 560 R HN 0.450 nan 8.270 nan 0.000 0.437 561 L N 3.686 124.676 121.223 -0.388 0.000 2.401 561 L HA 0.176 4.516 4.340 -0.000 0.000 0.283 561 L C 0.476 177.381 176.870 0.058 0.000 1.151 561 L CA 0.499 55.196 54.840 -0.239 0.000 0.942 561 L CB -0.143 41.919 42.059 0.004 0.000 1.283 561 L HN 0.656 nan 8.230 nan 0.000 0.442 562 S N 1.744 117.391 115.700 -0.089 0.000 2.786 562 S HA 0.285 4.755 4.470 -0.000 0.000 0.307 562 S C 0.686 174.995 174.600 -0.485 0.000 1.121 562 S CA -0.668 57.444 58.200 -0.147 0.000 0.975 562 S CB 0.648 63.819 63.200 -0.048 0.000 1.220 562 S HN 0.520 nan 8.310 nan 0.000 0.550 563 W N 1.048 121.784 121.300 -0.939 0.000 2.402 563 W HA 0.137 4.796 4.660 -0.000 0.000 0.286 563 W C 2.312 178.751 176.519 -0.133 0.000 1.221 563 W CA 1.607 58.515 57.345 -0.728 0.000 1.257 563 W CB -0.970 28.145 29.460 -0.575 0.000 1.120 563 W HN 0.819 nan 8.180 nan 0.000 0.551 564 A N -0.376 122.371 122.820 -0.122 0.000 1.969 564 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 564 A C 1.934 179.398 177.584 -0.200 0.000 1.169 564 A CA 2.309 54.228 52.037 -0.197 0.000 0.635 564 A CB -1.254 17.732 19.000 -0.023 0.000 0.810 564 A HN 0.276 nan 8.150 nan 0.000 0.445 565 T N -1.035 113.427 114.554 -0.154 0.000 2.720 565 T HA -0.229 4.120 4.350 -0.000 0.000 0.268 565 T C 1.796 176.516 174.700 0.033 0.000 1.037 565 T CA 1.805 63.805 62.100 -0.166 0.000 1.144 565 T CB -0.498 68.141 68.868 -0.381 0.000 0.864 565 T HN 0.705 nan 8.240 nan 0.000 0.444 566 Y N 1.994 122.337 120.300 0.071 0.000 2.163 566 Y HA -0.002 4.548 4.550 -0.000 0.000 0.288 566 Y C 1.932 177.780 175.900 -0.088 0.000 1.136 566 Y CA 0.904 59.056 58.100 0.088 0.000 1.147 566 Y CB -0.745 37.737 38.460 0.036 0.000 0.987 566 Y HN 0.118 nan 8.280 nan 0.000 0.509 567 L N 0.224 121.018 121.223 -0.715 0.000 2.131 567 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 567 L C 2.771 179.378 176.870 -0.438 0.000 1.092 567 L CA 1.255 55.610 54.840 -0.809 0.000 0.759 567 L CB -0.845 40.778 42.059 -0.728 0.000 0.903 567 L HN 0.421 nan 8.230 nan 0.000 0.435 568 A N -1.413 121.227 122.820 -0.299 0.000 1.878 568 A HA -0.139 4.181 4.320 -0.000 0.000 0.213 568 A C 2.490 179.979 177.584 -0.158 0.000 1.192 568 A CA 1.453 53.365 52.037 -0.209 0.000 0.619 568 A CB -0.581 18.295 19.000 -0.207 0.000 0.837 568 A HN 0.277 nan 8.150 nan 0.000 0.446 569 S N -1.086 114.537 115.700 -0.127 0.000 2.356 569 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 569 S C 1.991 176.570 174.600 -0.036 0.000 1.032 569 S CA 2.358 60.524 58.200 -0.057 0.000 1.005 569 S CB -0.324 62.897 63.200 0.035 0.000 0.867 569 S HN 0.580 nan 8.310 nan 0.000 0.449 570 T N 0.955 115.467 114.554 -0.070 0.000 3.021 570 T HA 0.184 4.534 4.350 -0.000 0.000 0.245 570 T C 1.201 175.850 174.700 -0.084 0.000 1.028 570 T CA 0.438 62.519 62.100 -0.033 0.000 1.139 570 T CB -0.009 68.909 68.868 0.084 0.000 0.884 570 T HN 0.324 nan 8.240 nan 0.000 0.457 571 E N 1.349 121.418 120.200 -0.219 0.000 2.476 571 E HA 0.183 4.532 4.350 -0.000 0.000 0.196 571 E C -0.178 176.390 176.600 -0.054 0.000 1.029 571 E CA -0.107 56.203 56.400 -0.149 0.000 0.896 571 E CB -0.243 29.303 29.700 -0.257 0.000 1.012 571 E HN 0.524 nan 8.360 nan 0.000 0.475 572 N N 0.881 119.563 118.700 -0.030 0.000 2.727 572 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 572 N C -0.770 174.807 175.510 0.113 0.000 1.048 572 N CA 0.354 53.458 53.050 0.090 0.000 0.714 572 N CB -1.334 37.281 38.487 0.214 0.000 0.959 572 N HN 0.252 nan 8.380 nan 0.000 0.544 573 I N 0.811 121.365 120.570 -0.027 0.000 2.359 573 I HA 0.315 4.485 4.170 -0.000 0.000 0.294 573 I C 0.660 176.724 176.117 -0.088 0.000 0.987 573 I CA -0.851 60.433 61.300 -0.027 0.000 1.225 573 I CB 1.161 39.160 38.000 -0.001 0.000 1.366 573 I HN 0.039 nan 8.210 nan 0.000 0.466 574 I N 6.577 127.103 120.570 -0.073 0.000 2.452 574 I HA 0.100 4.269 4.170 -0.000 0.000 0.287 574 I C -0.289 175.800 176.117 -0.046 0.000 1.079 574 I CA -0.228 61.000 61.300 -0.120 0.000 1.387 574 I CB 0.649 38.594 38.000 -0.092 0.000 1.404 574 I HN 0.220 nan 8.210 nan 0.000 0.522 575 V N 6.818 126.693 119.914 -0.065 0.000 2.347 575 V HA 0.611 4.731 4.120 -0.000 0.000 0.280 575 V C 0.370 176.478 176.094 0.023 0.000 1.021 575 V CA -0.449 61.862 62.300 0.019 0.000 0.847 575 V CB 1.130 32.958 31.823 0.008 0.000 0.990 575 V HN 0.841 nan 8.190 nan 0.000 0.444 576 A N 3.954 126.820 122.820 0.076 0.000 2.355 576 A HA 0.910 5.229 4.320 -0.000 0.000 0.324 576 A C -0.174 177.528 177.584 0.196 0.000 1.117 576 A CA -0.468 51.606 52.037 0.062 0.000 0.785 576 A CB 1.737 20.659 19.000 -0.129 0.000 1.254 576 A HN 0.657 nan 8.150 nan 0.000 0.453 577 S N -0.027 115.824 115.700 0.251 0.000 2.568 577 S HA 0.811 5.281 4.470 -0.000 0.000 0.293 577 S C -1.517 173.390 174.600 0.513 0.000 1.089 577 S CA -0.282 58.117 58.200 0.330 0.000 0.945 577 S CB 1.279 64.624 63.200 0.241 0.000 1.077 577 S HN 0.801 nan 8.310 nan 0.000 0.485 578 F N 1.817 121.965 119.950 0.330 0.000 2.581 578 F HA 0.468 4.994 4.527 -0.000 0.000 0.311 578 F C -1.658 174.319 175.800 0.294 0.000 1.113 578 F CA -0.889 57.337 58.000 0.376 0.000 0.935 578 F CB 1.529 40.762 39.000 0.388 0.000 1.232 578 F HN 0.374 nan 8.300 nan 0.000 0.445 579 D N 4.417 124.483 120.400 -0.556 0.000 2.454 579 D HA 0.411 5.050 4.640 -0.000 0.000 0.225 579 D C 0.336 176.002 176.300 -1.058 0.000 1.081 579 D CA 0.137 53.839 54.000 -0.498 0.000 0.864 579 D CB 1.616 42.407 40.800 -0.015 0.000 1.040 579 D HN 0.792 nan 8.370 nan 0.000 0.517 580 G N 1.518 109.736 108.800 -0.970 0.000 2.773 580 G HA2 0.285 4.245 3.960 -0.000 0.000 0.186 580 G HA3 0.285 4.245 3.960 -0.000 0.000 0.186 580 G C 0.131 174.752 174.900 -0.466 0.000 1.411 580 G CA -0.642 43.916 45.100 -0.903 0.000 1.054 580 G HN 0.295 nan 8.290 nan 0.000 0.579 581 R N -0.615 119.715 120.500 -0.284 0.000 2.537 581 R HA 0.396 4.736 4.340 -0.000 0.000 0.280 581 R C 1.174 177.528 176.300 0.091 0.000 1.058 581 R CA 1.399 57.513 56.100 0.024 0.000 1.057 581 R CB 0.646 31.011 30.300 0.108 0.000 0.973 581 R HN 1.009 nan 8.270 nan 0.000 0.438 582 G N 1.165 110.041 108.800 0.127 0.000 2.254 582 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.225 582 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.225 582 G C 0.135 175.073 174.900 0.063 0.000 1.003 582 G CA 0.112 45.278 45.100 0.110 0.000 0.622 582 G HN 0.723 nan 8.290 nan 0.000 0.507 583 S N 0.622 116.358 115.700 0.060 0.000 2.576 583 S HA 0.594 5.064 4.470 -0.000 0.000 0.272 583 S C 0.952 175.580 174.600 0.046 0.000 1.352 583 S CA 0.581 58.822 58.200 0.067 0.000 1.021 583 S CB 1.639 64.891 63.200 0.087 0.000 0.887 583 S HN 1.692 nan 8.310 nan 0.000 0.542 584 G N -0.500 108.294 108.800 -0.009 0.000 2.557 584 G HA2 0.483 4.442 3.960 -0.000 0.000 0.302 584 G HA3 0.483 4.442 3.960 -0.000 0.000 0.302 584 G C -0.873 173.970 174.900 -0.094 0.000 1.311 584 G CA -1.020 43.936 45.100 -0.239 0.000 1.030 584 G HN 0.983 nan 8.290 nan 0.000 0.509 585 Y N -2.407 117.935 120.300 0.069 0.000 4.409 585 Y HA -0.211 4.339 4.550 -0.000 0.000 0.228 585 Y C 1.278 177.239 175.900 0.102 0.000 1.108 585 Y CA 1.090 59.238 58.100 0.080 0.000 1.955 585 Y CB -2.150 36.362 38.460 0.088 0.000 1.615 585 Y HN 0.522 nan 8.280 nan 0.000 0.665 586 Q N -0.258 119.632 119.800 0.150 0.000 2.055 586 Q HA 0.498 4.837 4.340 -0.000 0.000 0.226 586 Q C 0.865 176.854 176.000 -0.018 0.000 0.805 586 Q CA 0.184 56.096 55.803 0.181 0.000 1.072 586 Q CB 1.612 30.471 28.738 0.202 0.000 1.219 586 Q HN 0.611 nan 8.270 nan 0.000 0.451 587 G N 0.638 109.282 108.800 -0.260 0.000 2.663 587 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 587 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 587 G C -0.459 174.105 174.900 -0.560 0.000 1.288 587 G CA -0.488 44.138 45.100 -0.791 0.000 0.836 587 G HN 0.117 nan 8.290 nan 0.000 0.584 588 D N -0.069 119.935 120.400 -0.661 0.000 2.224 588 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 588 D C 2.250 178.225 176.300 -0.541 0.000 0.965 588 D CA 1.410 54.954 54.000 -0.761 0.000 0.852 588 D CB 0.034 40.326 40.800 -0.846 0.000 0.947 588 D HN 0.496 nan 8.370 nan 0.000 0.494 589 K N 1.095 121.267 120.400 -0.381 0.000 2.032 589 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 589 K C 1.940 178.490 176.600 -0.084 0.000 1.048 589 K CA 1.031 57.202 56.287 -0.194 0.000 0.927 589 K CB -0.492 31.917 32.500 -0.152 0.000 0.712 589 K HN 0.087 nan 8.250 nan 0.000 0.441 590 I N 0.014 120.546 120.570 -0.064 0.000 2.286 590 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 590 I C 2.587 178.746 176.117 0.070 0.000 1.104 590 I CA 1.239 62.593 61.300 0.089 0.000 1.397 590 I CB -0.151 37.955 38.000 0.177 0.000 1.072 590 I HN 0.279 nan 8.210 nan 0.000 0.417 591 M N -0.206 119.368 119.600 -0.044 0.000 2.067 591 M HA -0.248 4.232 4.480 -0.000 0.000 0.260 591 M C 1.824 178.218 176.300 0.158 0.000 1.069 591 M CA 1.979 57.286 55.300 0.012 0.000 1.117 591 M CB -0.289 32.218 32.600 -0.156 0.000 1.334 591 M HN 0.264 nan 8.290 nan 0.000 0.407 592 H N -0.969 117.989 119.070 -0.186 0.000 2.536 592 H HA 0.198 4.754 4.556 -0.000 0.000 0.276 592 H C 1.691 177.037 175.328 0.030 0.000 1.019 592 H CA 0.022 55.942 56.048 -0.214 0.000 1.159 592 H CB 0.192 29.713 29.762 -0.401 0.000 1.373 592 H HN 0.483 nan 8.280 nan 0.000 0.584 593 A N 1.493 124.445 122.820 0.221 0.000 1.930 593 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 593 A C 2.080 179.890 177.584 0.378 0.000 1.175 593 A CA 0.947 53.165 52.037 0.302 0.000 0.627 593 A CB -0.581 18.589 19.000 0.282 0.000 0.815 593 A HN 0.525 nan 8.150 nan 0.000 0.443 594 I N -2.316 118.421 120.570 0.279 0.000 3.749 594 I HA 0.098 4.268 4.170 -0.000 0.000 0.314 594 I C 0.515 176.666 176.117 0.058 0.000 1.267 594 I CA -0.317 61.047 61.300 0.106 0.000 1.169 594 I CB -0.729 37.325 38.000 0.089 0.000 1.009 594 I HN 0.214 nan 8.210 nan 0.000 0.444 595 N N 2.964 121.764 118.700 0.166 0.000 2.411 595 N HA -0.059 4.680 4.740 -0.000 0.000 0.261 595 N C 0.250 175.734 175.510 -0.043 0.000 1.248 595 N CA 0.230 53.380 53.050 0.167 0.000 0.885 595 N CB 0.341 38.931 38.487 0.171 0.000 1.062 595 N HN 0.398 nan 8.380 nan 0.000 0.471 596 R N 0.440 120.883 120.500 -0.095 0.000 4.016 596 R HA -0.206 4.134 4.340 -0.000 0.000 0.385 596 R C -0.221 175.893 176.300 -0.310 0.000 1.158 596 R CA 1.579 57.556 56.100 -0.206 0.000 1.117 596 R CB -1.416 28.759 30.300 -0.209 0.000 1.635 596 R HN 0.774 nan 8.270 nan 0.000 0.560 597 R N 0.137 120.489 120.500 -0.245 0.000 2.638 597 R HA 0.288 4.627 4.340 -0.000 0.000 0.269 597 R C -0.471 175.759 176.300 -0.117 0.000 1.393 597 R CA -0.683 55.306 56.100 -0.184 0.000 1.531 597 R CB 0.309 30.427 30.300 -0.303 0.000 1.327 597 R HN -0.036 nan 8.270 nan 0.000 0.709 598 L N 1.138 122.284 121.223 -0.128 0.000 2.485 598 L HA 0.197 4.536 4.340 -0.000 0.000 0.275 598 L C 1.200 178.208 176.870 0.230 0.000 1.207 598 L CA 1.504 56.335 54.840 -0.016 0.000 0.855 598 L CB 0.635 42.505 42.059 -0.315 0.000 1.114 598 L HN 0.903 nan 8.230 nan 0.000 0.485 599 G N 1.215 110.237 108.800 0.370 0.000 2.159 599 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.256 599 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.256 599 G C 0.593 175.566 174.900 0.122 0.000 0.977 599 G CA 0.615 45.917 45.100 0.337 0.000 0.652 599 G HN 0.767 nan 8.290 nan 0.000 0.531 600 T N -2.670 111.918 114.554 0.057 0.000 3.608 600 T HA 0.429 4.778 4.350 -0.000 0.000 0.213 600 T C 1.782 176.548 174.700 0.109 0.000 0.897 600 T CA 1.161 63.247 62.100 -0.023 0.000 1.533 600 T CB -0.212 68.490 68.868 -0.277 0.000 1.504 600 T HN 0.067 nan 8.240 nan 0.000 0.446 601 F N 3.348 123.349 119.950 0.086 0.000 2.075 601 F HA 0.059 4.585 4.527 -0.000 0.000 0.297 601 F C 2.878 178.727 175.800 0.081 0.000 1.113 601 F CA 1.093 59.131 58.000 0.063 0.000 1.218 601 F CB -0.995 38.025 39.000 0.034 0.000 0.984 601 F HN 0.470 nan 8.300 nan 0.000 0.472 602 E N 0.887 121.258 120.200 0.284 0.000 2.160 602 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 602 E C 2.133 178.853 176.600 0.199 0.000 0.991 602 E CA 1.653 58.179 56.400 0.209 0.000 0.810 602 E CB -1.069 28.750 29.700 0.198 0.000 0.742 602 E HN 0.287 nan 8.360 nan 0.000 0.466 603 V N 1.357 121.373 119.914 0.171 0.000 2.323 603 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 603 V C 2.356 178.518 176.094 0.115 0.000 1.041 603 V CA 2.079 64.438 62.300 0.098 0.000 1.025 603 V CB -0.538 31.293 31.823 0.013 0.000 0.656 603 V HN 0.197 nan 8.190 nan 0.000 0.451 604 E N 0.038 120.329 120.200 0.153 0.000 2.110 604 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 604 E C 1.911 178.609 176.600 0.164 0.000 0.988 604 E CA 1.525 58.020 56.400 0.158 0.000 0.804 604 E CB -0.153 29.672 29.700 0.208 0.000 0.745 604 E HN 0.559 nan 8.360 nan 0.000 0.458 605 D N 0.027 120.553 120.400 0.210 0.000 2.178 605 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 605 D C 1.909 178.346 176.300 0.228 0.000 0.974 605 D CA 0.711 54.853 54.000 0.237 0.000 0.841 605 D CB -0.057 40.908 40.800 0.275 0.000 0.953 605 D HN 0.073 nan 8.370 nan 0.000 0.478 606 Q N -0.017 119.943 119.800 0.267 0.000 2.124 606 Q HA -0.068 4.271 4.340 -0.000 0.000 0.202 606 Q C 2.491 178.599 176.000 0.181 0.000 0.977 606 Q CA 0.674 56.641 55.803 0.273 0.000 0.850 606 Q CB -0.134 28.749 28.738 0.242 0.000 0.901 606 Q HN 0.427 nan 8.270 nan 0.000 0.429 607 I N 0.338 121.006 120.570 0.163 0.000 2.163 607 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 607 I C 2.387 178.503 176.117 -0.002 0.000 1.081 607 I CA 1.150 62.565 61.300 0.191 0.000 1.353 607 I CB -0.217 37.882 38.000 0.165 0.000 1.054 607 I HN 0.124 nan 8.210 nan 0.000 0.407 608 E N 1.292 121.453 120.200 -0.064 0.000 2.110 608 E HA -0.200 4.149 4.350 -0.000 0.000 0.193 608 E C 2.099 178.467 176.600 -0.387 0.000 0.988 608 E CA 1.501 57.799 56.400 -0.170 0.000 0.804 608 E CB -0.104 29.530 29.700 -0.111 0.000 0.745 608 E HN 0.439 nan 8.360 nan 0.000 0.458 609 A N -0.525 121.954 122.820 -0.567 0.000 1.898 609 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 609 A C 2.405 179.254 177.584 -1.225 0.000 1.181 609 A CA 1.966 53.338 52.037 -1.107 0.000 0.620 609 A CB -0.934 17.061 19.000 -1.675 0.000 0.819 609 A HN 0.352 nan 8.150 nan 0.000 0.442 610 T N -0.699 113.533 114.554 -0.536 0.000 2.867 610 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 610 T C 2.030 176.553 174.700 -0.295 0.000 1.057 610 T CA 1.249 63.221 62.100 -0.214 0.000 1.136 610 T CB -0.209 68.663 68.868 0.007 0.000 0.874 610 T HN 0.445 nan 8.240 nan 0.000 0.466 611 R N 0.768 121.080 120.500 -0.313 0.000 2.091 611 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 611 R C 2.675 178.810 176.300 -0.274 0.000 1.136 611 R CA 1.265 57.212 56.100 -0.254 0.000 0.959 611 R CB -0.130 30.051 30.300 -0.198 0.000 0.856 611 R HN 0.468 nan 8.270 nan 0.000 0.437 612 Q N -0.902 118.653 119.800 -0.408 0.000 2.172 612 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 612 Q C 1.743 177.574 176.000 -0.282 0.000 0.964 612 Q CA 1.044 56.619 55.803 -0.380 0.000 0.855 612 Q CB 0.106 28.551 28.738 -0.490 0.000 0.918 612 Q HN 0.259 nan 8.270 nan 0.000 0.444 613 F N 0.323 120.119 119.950 -0.257 0.000 2.186 613 F HA -0.145 4.381 4.527 -0.000 0.000 0.299 613 F C 2.724 178.372 175.800 -0.253 0.000 1.090 613 F CA 1.262 59.114 58.000 -0.247 0.000 1.307 613 F CB -1.028 37.849 39.000 -0.206 0.000 1.019 613 F HN 0.065 nan 8.300 nan 0.000 0.489 614 S N -0.240 115.424 115.700 -0.060 0.000 2.406 614 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 614 S C 1.826 176.337 174.600 -0.149 0.000 1.020 614 S CA 0.790 58.918 58.200 -0.120 0.000 0.965 614 S CB -0.523 62.589 63.200 -0.147 0.000 0.798 614 S HN 0.358 nan 8.310 nan 0.000 0.488 615 K N 0.396 120.708 120.400 -0.148 0.000 2.365 615 K HA 0.211 4.531 4.320 -0.000 0.000 0.199 615 K C 0.406 176.911 176.600 -0.159 0.000 1.045 615 K CA 0.275 56.481 56.287 -0.136 0.000 0.962 615 K CB -0.215 32.214 32.500 -0.118 0.000 0.759 615 K HN 0.477 nan 8.250 nan 0.000 0.469 616 M N 0.084 119.545 119.600 -0.231 0.000 2.245 616 M HA -0.007 4.472 4.480 -0.000 0.000 0.344 616 M C 1.520 177.559 176.300 -0.434 0.000 1.170 616 M CA 0.093 55.172 55.300 -0.368 0.000 1.135 616 M CB 0.946 33.174 32.600 -0.620 0.000 1.574 616 M HN 0.181 nan 8.290 nan 0.000 0.452 617 G N 2.482 111.117 108.800 -0.274 0.000 2.470 617 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.220 617 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.220 617 G C 0.821 175.693 174.900 -0.048 0.000 1.121 617 G CA 0.545 45.577 45.100 -0.112 0.000 0.766 617 G HN 0.815 nan 8.290 nan 0.000 0.553 618 F N -0.195 119.814 119.950 0.098 0.000 2.732 618 F HA 0.569 5.096 4.527 -0.000 0.000 0.303 618 F C -0.065 175.864 175.800 0.215 0.000 1.110 618 F CA -1.183 56.921 58.000 0.174 0.000 1.355 618 F CB -0.188 38.982 39.000 0.282 0.000 1.081 618 F HN -0.174 nan 8.300 nan 0.000 0.565 619 V N 1.664 121.533 119.914 -0.075 0.000 2.384 619 V HA 0.169 4.289 4.120 -0.000 0.000 0.287 619 V C -0.605 175.454 176.094 -0.057 0.000 1.020 619 V CA -0.913 61.371 62.300 -0.027 0.000 0.850 619 V CB 1.350 33.089 31.823 -0.139 0.000 0.987 619 V HN 0.026 nan 8.190 nan 0.000 0.436 620 D N 3.528 123.901 120.400 -0.045 0.000 2.342 620 D HA 0.033 4.673 4.640 -0.000 0.000 0.260 620 D C 1.016 177.263 176.300 -0.089 0.000 1.278 620 D CA -0.156 53.797 54.000 -0.079 0.000 0.910 620 D CB 1.174 41.911 40.800 -0.105 0.000 1.079 620 D HN 0.804 nan 8.370 nan 0.000 0.496 621 D N 2.250 122.600 120.400 -0.083 0.000 2.350 621 D HA -0.118 4.522 4.640 -0.000 0.000 0.216 621 D C 1.076 177.336 176.300 -0.065 0.000 0.968 621 D CA 0.840 54.788 54.000 -0.087 0.000 0.894 621 D CB 0.168 40.915 40.800 -0.088 0.000 0.909 621 D HN 0.256 nan 8.370 nan 0.000 0.520 622 K N -0.392 119.979 120.400 -0.048 0.000 2.379 622 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 622 K C 0.382 176.991 176.600 0.016 0.000 1.031 622 K CA 0.060 56.337 56.287 -0.017 0.000 1.037 622 K CB 0.474 32.965 32.500 -0.015 0.000 0.824 622 K HN 0.055 nan 8.250 nan 0.000 0.516 623 R N 1.101 121.590 120.500 -0.019 0.000 2.681 623 R HA 0.339 4.679 4.340 -0.000 0.000 0.277 623 R C -1.066 175.218 176.300 -0.026 0.000 1.563 623 R CA -0.155 55.947 56.100 0.004 0.000 1.673 623 R CB 0.573 30.762 30.300 -0.186 0.000 1.258 623 R HN -0.028 nan 8.270 nan 0.000 0.650 624 I N 0.799 121.469 120.570 0.166 0.000 2.441 624 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 624 I C 0.011 176.434 176.117 0.511 0.000 0.994 624 I CA -0.757 60.677 61.300 0.223 0.000 1.144 624 I CB 2.034 39.988 38.000 -0.077 0.000 1.314 624 I HN 0.254 nan 8.210 nan 0.000 0.445 625 A N 6.441 129.665 122.820 0.673 0.000 2.430 625 A HA 0.922 5.242 4.320 -0.000 0.000 0.300 625 A C -1.265 176.717 177.584 0.664 0.000 1.124 625 A CA -0.631 51.783 52.037 0.628 0.000 0.766 625 A CB 1.867 21.095 19.000 0.380 0.000 1.328 625 A HN 0.727 nan 8.150 nan 0.000 0.424 626 I N 0.892 121.751 120.570 0.480 0.000 2.686 626 I HA 0.750 4.920 4.170 -0.000 0.000 0.295 626 I C -1.673 174.697 176.117 0.423 0.000 1.114 626 I CA -0.502 61.000 61.300 0.337 0.000 1.038 626 I CB 1.532 39.435 38.000 -0.160 0.000 1.238 626 I HN 0.911 nan 8.210 nan 0.000 0.420 627 W N 7.090 128.528 121.300 0.230 0.000 3.118 627 W HA 0.864 5.524 4.660 -0.000 0.000 0.328 627 W C -1.409 175.262 176.519 0.254 0.000 1.239 627 W CA -0.920 56.569 57.345 0.240 0.000 1.176 627 W CB 1.096 30.751 29.460 0.324 0.000 1.433 627 W HN 0.851 nan 8.180 nan 0.000 0.562 628 G N 0.530 109.264 108.800 -0.108 0.000 2.466 628 G HA2 0.404 4.364 3.960 -0.000 0.000 0.291 628 G HA3 0.404 4.364 3.960 -0.000 0.000 0.291 628 G C -2.785 172.084 174.900 -0.052 0.000 1.460 628 G CA -0.815 44.078 45.100 -0.345 0.000 0.791 628 G HN 0.605 nan 8.290 nan 0.000 0.505 629 W N 1.205 122.429 121.300 -0.127 0.000 2.666 629 W HA 0.530 5.190 4.660 -0.001 0.000 0.334 629 W C 0.966 177.539 176.519 0.090 0.000 1.051 629 W CA 0.590 57.938 57.345 0.005 0.000 1.224 629 W CB 1.572 31.044 29.460 0.021 0.000 1.405 629 W HN 1.173 nan 8.180 nan 0.000 0.513 630 S N 2.247 118.145 115.700 0.329 0.000 4.150 630 S HA -0.444 4.026 4.470 -0.000 0.000 0.575 630 S C 0.897 175.555 174.600 0.097 0.000 1.878 630 S CA 1.728 60.127 58.200 0.331 0.000 4.245 630 S CB -1.542 62.020 63.200 0.604 0.000 0.231 630 S HN 0.732 nan 8.310 nan 0.000 0.469 631 Y N 3.421 123.648 120.300 -0.122 0.000 2.207 631 Y HA 0.003 4.553 4.550 -0.000 0.000 0.287 631 Y C 2.548 178.342 175.900 -0.176 0.000 1.156 631 Y CA 2.095 60.047 58.100 -0.247 0.000 1.182 631 Y CB -1.011 37.121 38.460 -0.546 0.000 0.979 631 Y HN 0.559 nan 8.280 nan 0.000 0.521 632 G N -1.005 107.776 108.800 -0.031 0.000 2.422 632 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 632 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 632 G C 1.919 176.840 174.900 0.036 0.000 1.146 632 G CA 0.780 45.912 45.100 0.053 0.000 0.769 632 G HN 0.569 nan 8.290 nan 0.000 0.547 633 G N -0.224 108.597 108.800 0.034 0.000 2.408 633 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 633 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 633 G C 1.609 176.519 174.900 0.017 0.000 1.150 633 G CA 1.053 46.167 45.100 0.024 0.000 0.776 633 G HN 0.440 nan 8.290 nan 0.000 0.542 634 Y N 1.279 121.468 120.300 -0.184 0.000 2.145 634 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 634 Y C 2.721 178.509 175.900 -0.185 0.000 1.145 634 Y CA 1.588 59.524 58.100 -0.274 0.000 1.148 634 Y CB -0.375 37.750 38.460 -0.557 0.000 0.981 634 Y HN 0.030 nan 8.280 nan 0.000 0.507 635 V N -0.145 119.635 119.914 -0.223 0.000 2.295 635 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 635 V C 2.307 178.287 176.094 -0.189 0.000 1.049 635 V CA 2.407 64.584 62.300 -0.206 0.000 1.024 635 V CB -1.202 30.647 31.823 0.044 0.000 0.648 635 V HN 0.501 nan 8.190 nan 0.000 0.447 636 T N 0.335 114.833 114.554 -0.095 0.000 2.597 636 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 636 T C 2.089 176.720 174.700 -0.115 0.000 1.053 636 T CA 2.278 64.336 62.100 -0.070 0.000 1.165 636 T CB -0.413 68.499 68.868 0.074 0.000 0.863 636 T HN 0.554 nan 8.240 nan 0.000 0.427 637 S N 1.088 116.750 115.700 -0.063 0.000 2.368 637 S HA -0.044 4.425 4.470 -0.000 0.000 0.225 637 S C 2.152 176.642 174.600 -0.183 0.000 1.030 637 S CA 1.037 59.220 58.200 -0.029 0.000 0.999 637 S CB -0.336 62.895 63.200 0.051 0.000 0.844 637 S HN 0.296 nan 8.310 nan 0.000 0.459 638 M N 1.021 120.427 119.600 -0.324 0.000 2.159 638 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 638 M C 2.237 178.365 176.300 -0.287 0.000 1.063 638 M CA 1.034 56.127 55.300 -0.344 0.000 1.110 638 M CB -1.478 30.819 32.600 -0.505 0.000 1.374 638 M HN 0.179 nan 8.290 nan 0.000 0.411 639 V N 0.564 120.302 119.914 -0.292 0.000 2.307 639 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 639 V C 2.519 178.405 176.094 -0.347 0.000 1.045 639 V CA 1.411 63.536 62.300 -0.291 0.000 1.024 639 V CB -0.618 30.966 31.823 -0.397 0.000 0.651 639 V HN 0.394 nan 8.190 nan 0.000 0.449 640 L N 0.371 121.323 121.223 -0.452 0.000 2.191 640 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 640 L C 2.217 178.564 176.870 -0.872 0.000 1.103 640 L CA 1.517 56.009 54.840 -0.580 0.000 0.769 640 L CB -0.704 40.983 42.059 -0.621 0.000 0.908 640 L HN 0.491 nan 8.230 nan 0.000 0.438 641 G N -1.509 106.767 108.800 -0.873 0.000 3.141 641 G HA2 0.199 4.159 3.960 -0.000 0.000 0.218 641 G HA3 0.199 4.159 3.960 -0.000 0.000 0.218 641 G C 1.477 176.195 174.900 -0.304 0.000 1.170 641 G CA 0.505 45.194 45.100 -0.685 0.000 0.769 641 G HN 0.368 nan 8.290 nan 0.000 0.546 642 A N 0.056 122.729 122.820 -0.245 0.000 2.016 642 A HA 0.433 4.753 4.320 -0.000 0.000 0.217 642 A C 2.107 179.638 177.584 -0.088 0.000 1.162 642 A CA 1.404 53.366 52.037 -0.126 0.000 0.662 642 A CB -0.412 18.539 19.000 -0.082 0.000 0.812 642 A HN 1.471 nan 8.150 nan 0.000 0.450 643 G N -0.211 108.526 108.800 -0.105 0.000 2.198 643 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 643 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 643 G C 0.986 175.875 174.900 -0.019 0.000 1.042 643 G CA 1.264 46.327 45.100 -0.062 0.000 0.791 643 G HN 1.470 nan 8.290 nan 0.000 0.502 644 S N -0.929 114.776 115.700 0.009 0.000 2.453 644 S HA 0.314 4.783 4.470 -0.000 0.000 0.231 644 S C 2.529 177.143 174.600 0.023 0.000 1.005 644 S CA 1.622 59.842 58.200 0.033 0.000 0.949 644 S CB -0.126 63.126 63.200 0.087 0.000 0.774 644 S HN 2.421 nan 8.310 nan 0.000 0.510 645 G N 0.060 108.880 108.800 0.033 0.000 2.205 645 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.261 645 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.261 645 G C 0.824 175.724 174.900 -0.000 0.000 0.980 645 G CA 0.432 45.542 45.100 0.017 0.000 0.632 645 G HN 0.663 nan 8.290 nan 0.000 0.533 646 V N -0.145 119.759 119.914 -0.016 0.000 2.323 646 V HA 0.195 4.315 4.120 -0.000 0.000 0.244 646 V C 1.410 177.347 176.094 -0.262 0.000 1.041 646 V CA 1.732 63.907 62.300 -0.208 0.000 1.025 646 V CB -0.435 31.146 31.823 -0.403 0.000 0.656 646 V HN 0.297 nan 8.190 nan 0.000 0.451 647 F N 0.206 120.178 119.950 0.038 0.000 2.404 647 F HA 0.358 4.885 4.527 -0.000 0.000 0.345 647 F C 1.203 177.052 175.800 0.081 0.000 1.110 647 F CA -0.296 57.753 58.000 0.081 0.000 1.130 647 F CB 0.972 40.022 39.000 0.083 0.000 1.129 647 F HN -0.203 nan 8.300 nan 0.000 0.500 648 K N 1.770 122.334 120.400 0.272 0.000 2.137 648 K HA 0.063 4.383 4.320 -0.000 0.000 0.202 648 K C 0.088 176.816 176.600 0.213 0.000 1.052 648 K CA 0.939 57.348 56.287 0.202 0.000 0.961 648 K CB 0.220 32.838 32.500 0.196 0.000 0.741 648 K HN 0.831 nan 8.250 nan 0.000 0.452 649 c N -3.482 115.284 118.600 0.276 0.000 3.293 649 c HA 0.889 5.459 4.570 -0.000 0.000 0.362 649 c C -0.227 174.085 174.090 0.369 0.000 1.539 649 c CA -0.490 56.018 56.329 0.297 0.000 1.201 649 c CB 1.130 43.746 42.510 0.176 0.000 1.770 649 c HN 0.344 nan 8.230 nan 0.000 0.440 650 G N -0.274 108.815 108.800 0.481 0.000 2.547 650 G HA2 0.656 4.616 3.960 -0.000 0.000 0.291 650 G HA3 0.656 4.616 3.960 -0.000 0.000 0.291 650 G C -2.150 173.009 174.900 0.432 0.000 1.471 650 G CA -0.641 44.723 45.100 0.441 0.000 0.798 650 G HN 1.049 nan 8.290 nan 0.000 0.504 651 I N 0.719 121.501 120.570 0.354 0.000 2.478 651 I HA 0.621 4.791 4.170 -0.000 0.000 0.287 651 I C 0.246 176.501 176.117 0.229 0.000 1.042 651 I CA -0.917 60.478 61.300 0.158 0.000 1.067 651 I CB 2.266 40.316 38.000 0.083 0.000 1.233 651 I HN 0.700 nan 8.210 nan 0.000 0.431 652 A N 6.454 129.325 122.820 0.085 0.000 2.271 652 A HA 0.786 5.105 4.320 -0.000 0.000 0.317 652 A C -0.664 176.859 177.584 -0.102 0.000 1.245 652 A CA -0.516 51.564 52.037 0.072 0.000 0.857 652 A CB 0.989 20.097 19.000 0.179 0.000 1.175 652 A HN 0.451 nan 8.150 nan 0.000 0.512 653 V N 2.275 122.079 119.914 -0.184 0.000 2.384 653 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 653 V C 0.928 176.676 176.094 -0.578 0.000 1.020 653 V CA 0.359 62.365 62.300 -0.491 0.000 0.850 653 V CB 0.711 32.008 31.823 -0.877 0.000 0.987 653 V HN 2.066 nan 8.190 nan 0.000 0.436 654 A N 5.701 128.154 122.820 -0.612 0.000 2.560 654 A HA -0.101 4.218 4.320 -0.000 0.000 0.299 654 A C -1.868 175.552 177.584 -0.274 0.000 1.484 654 A CA 0.376 51.951 52.037 -0.771 0.000 0.749 654 A CB -1.590 17.113 19.000 -0.495 0.000 1.072 654 A HN 0.608 nan 8.150 nan 0.000 0.426 655 P HA 0.429 nan 4.420 nan 0.000 0.282 655 P C 0.192 177.443 177.300 -0.081 0.000 1.249 655 P CA -0.221 62.843 63.100 -0.062 0.000 0.806 655 P CB 1.258 32.957 31.700 -0.003 0.000 0.984 656 V N 2.443 122.199 119.914 -0.263 0.000 2.637 656 V HA 0.047 4.167 4.120 -0.000 0.000 0.296 656 V C 1.769 177.682 176.094 -0.302 0.000 1.046 656 V CA 1.085 63.084 62.300 -0.501 0.000 1.066 656 V CB 0.550 31.628 31.823 -1.243 0.000 0.968 656 V HN 0.833 nan 8.190 nan 0.000 0.483 657 S N 3.007 118.570 115.700 -0.228 0.000 2.520 657 S HA 0.297 4.767 4.470 -0.000 0.000 0.219 657 S C 0.336 174.819 174.600 -0.195 0.000 1.028 657 S CA -0.211 57.927 58.200 -0.103 0.000 0.921 657 S CB 0.301 63.485 63.200 -0.026 0.000 0.844 657 S HN 0.669 nan 8.310 nan 0.000 0.495 658 K N -0.529 119.645 120.400 -0.377 0.000 2.575 658 K HA 0.254 4.574 4.320 -0.000 0.000 0.255 658 K C -1.375 174.980 176.600 -0.408 0.000 0.953 658 K CA -0.584 55.440 56.287 -0.437 0.000 0.840 658 K CB 0.769 32.864 32.500 -0.676 0.000 1.303 658 K HN 0.212 nan 8.250 nan 0.000 0.438 659 W N 2.029 123.270 121.300 -0.098 0.000 2.699 659 W HA -0.014 4.645 4.660 -0.001 0.000 0.249 659 W C 1.194 177.857 176.519 0.239 0.000 1.280 659 W CA 0.242 57.609 57.345 0.037 0.000 1.345 659 W CB 0.495 29.904 29.460 -0.085 0.000 1.128 659 W HN 0.747 nan 8.180 nan 0.000 0.642 660 E N -1.120 119.262 120.200 0.304 0.000 2.347 660 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 660 E C 1.339 178.111 176.600 0.287 0.000 1.008 660 E CA 0.906 57.436 56.400 0.217 0.000 0.852 660 E CB -0.222 29.496 29.700 0.030 0.000 0.783 660 E HN 0.305 nan 8.360 nan 0.000 0.505 661 Y N -1.338 119.068 120.300 0.177 0.000 2.475 661 Y HA 0.060 4.610 4.550 -0.000 0.000 0.289 661 Y C 0.638 176.649 175.900 0.185 0.000 1.121 661 Y CA -0.255 57.916 58.100 0.119 0.000 1.257 661 Y CB -0.424 38.049 38.460 0.021 0.000 1.026 661 Y HN 0.019 nan 8.280 nan 0.000 0.555 662 Y N 1.993 122.456 120.300 0.271 0.000 2.374 662 Y HA 0.267 4.817 4.550 -0.000 0.000 0.322 662 Y C 0.409 176.526 175.900 0.361 0.000 1.275 662 Y CA -2.114 56.151 58.100 0.274 0.000 1.307 662 Y CB 0.345 38.992 38.460 0.312 0.000 1.282 662 Y HN 0.217 nan 8.280 nan 0.000 0.509 663 D N -0.429 119.731 120.400 -0.399 0.000 2.362 663 D HA 0.079 4.718 4.640 -0.000 0.000 0.238 663 D C 0.940 177.195 176.300 -0.075 0.000 1.212 663 D CA 0.415 54.202 54.000 -0.356 0.000 0.902 663 D CB 0.768 41.092 40.800 -0.793 0.000 1.180 663 D HN 0.477 nan 8.370 nan 0.000 0.445 664 S N 0.745 116.405 115.700 -0.068 0.000 2.356 664 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 664 S C 1.921 176.539 174.600 0.030 0.000 1.032 664 S CA 1.057 59.278 58.200 0.034 0.000 1.005 664 S CB -0.947 62.280 63.200 0.044 0.000 0.867 664 S HN 0.439 nan 8.310 nan 0.000 0.449 665 V N 0.931 120.802 119.914 -0.072 0.000 2.255 665 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 665 V C 2.314 178.354 176.094 -0.090 0.000 1.051 665 V CA 2.256 64.457 62.300 -0.164 0.000 1.018 665 V CB -1.094 30.449 31.823 -0.467 0.000 0.641 665 V HN 0.590 nan 8.190 nan 0.000 0.445 666 Y N 1.296 121.541 120.300 -0.092 0.000 2.133 666 Y HA -0.235 4.315 4.550 -0.000 0.000 0.287 666 Y C 2.725 178.627 175.900 0.003 0.000 1.134 666 Y CA 2.375 60.499 58.100 0.039 0.000 1.133 666 Y CB -0.574 38.094 38.460 0.347 0.000 0.987 666 Y HN 0.228 nan 8.280 nan 0.000 0.502 667 T N 0.298 115.041 114.554 0.314 0.000 2.674 667 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 667 T C 1.570 176.223 174.700 -0.078 0.000 1.039 667 T CA 1.917 64.113 62.100 0.161 0.000 1.150 667 T CB -0.346 68.770 68.868 0.414 0.000 0.864 667 T HN 0.422 nan 8.240 nan 0.000 0.427 668 E N 0.569 120.767 120.200 -0.003 0.000 2.204 668 E HA -0.113 4.236 4.350 -0.000 0.000 0.195 668 E C 2.322 178.814 176.600 -0.182 0.000 0.990 668 E CA 0.522 56.911 56.400 -0.019 0.000 0.821 668 E CB -0.120 29.608 29.700 0.047 0.000 0.750 668 E HN 0.337 nan 8.360 nan 0.000 0.477 669 R N 0.040 120.305 120.500 -0.392 0.000 2.105 669 R HA -0.187 4.152 4.340 -0.000 0.000 0.239 669 R C 1.269 177.049 176.300 -0.867 0.000 1.135 669 R CA 1.567 57.256 56.100 -0.685 0.000 0.967 669 R CB -0.004 29.638 30.300 -1.096 0.000 0.861 669 R HN 0.220 nan 8.270 nan 0.000 0.442 670 Y N -2.076 117.871 120.300 -0.587 0.000 2.524 670 Y HA 0.212 4.762 4.550 -0.000 0.000 0.270 670 Y C 1.808 177.455 175.900 -0.420 0.000 1.094 670 Y CA 0.153 57.858 58.100 -0.659 0.000 1.276 670 Y CB 0.411 38.345 38.460 -0.877 0.000 1.130 670 Y HN -0.022 nan 8.280 nan 0.000 0.536 671 M N -0.954 118.488 119.600 -0.263 0.000 2.379 671 M HA 0.360 4.839 4.480 -0.000 0.000 0.265 671 M C 1.149 177.426 176.300 -0.037 0.000 1.095 671 M CA 0.899 56.033 55.300 -0.277 0.000 1.075 671 M CB -0.101 32.123 32.600 -0.626 0.000 1.443 671 M HN 0.336 nan 8.290 nan 0.000 0.519 672 G N 1.845 110.654 108.800 0.016 0.000 2.553 672 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 672 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 672 G C -0.538 174.489 174.900 0.212 0.000 1.277 672 G CA -0.675 44.479 45.100 0.091 0.000 0.910 672 G HN 0.337 nan 8.290 nan 0.000 0.576 673 L N 2.146 123.454 121.223 0.142 0.000 2.289 673 L HA 0.446 4.785 4.340 -0.000 0.000 0.285 673 L C -1.556 175.263 176.870 -0.085 0.000 1.049 673 L CA -1.836 53.026 54.840 0.036 0.000 0.804 673 L CB 2.107 44.164 42.059 -0.002 0.000 1.195 673 L HN 0.421 nan 8.230 nan 0.000 0.428 674 P HA 0.052 nan 4.420 nan 0.000 0.225 674 P C -0.458 176.682 177.300 -0.265 0.000 1.768 674 P CA -0.107 62.555 63.100 -0.731 0.000 0.943 674 P CB -0.550 30.459 31.700 -1.152 0.000 1.936 675 T N -3.096 111.389 114.554 -0.114 0.000 2.887 675 T HA 0.436 4.786 4.350 -0.000 0.000 0.288 675 T C -1.981 172.716 174.700 -0.005 0.000 1.021 675 T CA -2.544 59.525 62.100 -0.052 0.000 1.000 675 T CB 1.947 70.794 68.868 -0.036 0.000 1.034 675 T HN -0.216 nan 8.240 nan 0.000 0.467 676 P HA -0.108 nan 4.420 nan 0.000 0.220 676 P C 0.708 178.024 177.300 0.026 0.000 1.144 676 P CA 1.117 64.229 63.100 0.021 0.000 0.800 676 P CB 0.167 31.874 31.700 0.012 0.000 0.772 677 E N -0.894 119.316 120.200 0.017 0.000 2.216 677 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 677 E C 1.616 178.231 176.600 0.026 0.000 0.988 677 E CA 0.747 57.157 56.400 0.017 0.000 0.834 677 E CB -0.300 29.404 29.700 0.006 0.000 0.772 677 E HN 0.273 nan 8.360 nan 0.000 0.479 678 D N -0.287 120.132 120.400 0.033 0.000 2.910 678 D HA 0.088 4.728 4.640 -0.000 0.000 0.241 678 D C 0.269 176.621 176.300 0.086 0.000 1.346 678 D CA 0.086 54.114 54.000 0.047 0.000 1.227 678 D CB 0.039 40.864 40.800 0.042 0.000 0.926 678 D HN -0.034 nan 8.370 nan 0.000 0.212 679 N N 0.265 119.047 118.700 0.138 0.000 2.351 679 N HA 0.041 4.781 4.740 -0.000 0.000 0.254 679 N C 1.297 177.026 175.510 0.366 0.000 1.241 679 N CA -0.116 53.071 53.050 0.229 0.000 0.883 679 N CB 0.797 39.410 38.487 0.210 0.000 1.202 679 N HN 0.027 nan 8.380 nan 0.000 0.512 680 L N 1.011 122.367 121.223 0.222 0.000 2.042 680 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 680 L C 1.520 178.525 176.870 0.225 0.000 1.076 680 L CA 1.950 56.900 54.840 0.183 0.000 0.749 680 L CB -0.304 41.785 42.059 0.051 0.000 0.893 680 L HN 0.145 nan 8.230 nan 0.000 0.432 681 D N -1.082 119.429 120.400 0.185 0.000 2.133 681 D HA -0.253 4.386 4.640 -0.000 0.000 0.195 681 D C 1.970 178.304 176.300 0.057 0.000 0.997 681 D CA 1.846 55.908 54.000 0.102 0.000 0.840 681 D CB -0.259 40.591 40.800 0.083 0.000 0.947 681 D HN 0.474 nan 8.370 nan 0.000 0.452 682 Y N -0.926 119.428 120.300 0.091 0.000 2.519 682 Y HA -0.029 4.521 4.550 -0.000 0.000 0.287 682 Y C 1.919 177.848 175.900 0.048 0.000 1.128 682 Y CA 0.197 58.321 58.100 0.040 0.000 1.282 682 Y CB -0.206 38.241 38.460 -0.021 0.000 1.027 682 Y HN 0.015 nan 8.280 nan 0.000 0.551 683 Y N -0.270 120.129 120.300 0.165 0.000 2.220 683 Y HA -0.164 4.385 4.550 -0.000 0.000 0.291 683 Y C 2.363 178.319 175.900 0.093 0.000 1.129 683 Y CA 1.330 59.514 58.100 0.140 0.000 1.161 683 Y CB -0.048 38.474 38.460 0.104 0.000 0.997 683 Y HN -0.088 nan 8.280 nan 0.000 0.522 684 R N 0.196 120.820 120.500 0.207 0.000 2.073 684 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 684 R C 1.560 177.887 176.300 0.045 0.000 1.120 684 R CA 1.411 57.569 56.100 0.096 0.000 0.967 684 R CB -0.466 29.866 30.300 0.055 0.000 0.862 684 R HN 0.426 nan 8.270 nan 0.000 0.436 685 N N 0.455 119.161 118.700 0.009 0.000 2.322 685 N HA -0.054 4.685 4.740 -0.000 0.000 0.194 685 N C 0.565 176.080 175.510 0.008 0.000 1.126 685 N CA 0.665 53.697 53.050 -0.030 0.000 0.845 685 N CB 0.414 38.832 38.487 -0.115 0.000 0.976 685 N HN 0.064 nan 8.380 nan 0.000 0.475 686 S N -1.232 114.517 115.700 0.082 0.000 2.539 686 S HA 0.043 4.512 4.470 -0.000 0.000 0.221 686 S C 0.753 175.477 174.600 0.208 0.000 0.987 686 S CA -0.295 58.007 58.200 0.170 0.000 0.929 686 S CB -0.573 62.786 63.200 0.266 0.000 0.832 686 S HN 0.375 nan 8.310 nan 0.000 0.492 687 T N -0.375 114.240 114.554 0.102 0.000 2.899 687 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 687 T C 1.392 176.107 174.700 0.026 0.000 1.033 687 T CA -0.425 61.704 62.100 0.047 0.000 1.084 687 T CB 1.142 69.994 68.868 -0.027 0.000 0.979 687 T HN -0.024 nan 8.240 nan 0.000 0.532 688 V N 2.403 122.320 119.914 0.005 0.000 2.427 688 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 688 V C 2.660 178.737 176.094 -0.030 0.000 1.051 688 V CA 1.650 63.934 62.300 -0.027 0.000 1.048 688 V CB -1.017 30.778 31.823 -0.046 0.000 0.666 688 V HN 0.834 nan 8.190 nan 0.000 0.456 689 M N 1.303 120.870 119.600 -0.055 0.000 2.202 689 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 689 M C 2.362 178.641 176.300 -0.035 0.000 1.063 689 M CA 2.066 57.327 55.300 -0.065 0.000 1.097 689 M CB -0.873 31.694 32.600 -0.056 0.000 1.382 689 M HN 0.549 nan 8.290 nan 0.000 0.413 690 S N -0.264 115.425 115.700 -0.019 0.000 2.447 690 S HA -0.091 4.378 4.470 -0.000 0.000 0.233 690 S C 1.762 176.360 174.600 -0.003 0.000 1.006 690 S CA 0.771 58.964 58.200 -0.012 0.000 0.957 690 S CB -0.347 62.846 63.200 -0.011 0.000 0.773 690 S HN 0.508 nan 8.310 nan 0.000 0.507 691 R N 0.511 121.018 120.500 0.013 0.000 2.515 691 R HA 0.497 4.837 4.340 -0.000 0.000 0.294 691 R C 1.926 178.300 176.300 0.124 0.000 1.021 691 R CA 0.401 56.520 56.100 0.032 0.000 1.081 691 R CB -0.129 30.170 30.300 -0.002 0.000 1.263 691 R HN 0.479 nan 8.270 nan 0.000 0.557 692 A N 1.195 124.062 122.820 0.078 0.000 1.908 692 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 692 A C 2.031 179.691 177.584 0.126 0.000 1.181 692 A CA 1.836 53.912 52.037 0.065 0.000 0.627 692 A CB -0.206 18.761 19.000 -0.055 0.000 0.818 692 A HN 0.333 nan 8.150 nan 0.000 0.445 693 E N 0.612 120.854 120.200 0.069 0.000 2.118 693 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 693 E C 1.549 178.186 176.600 0.061 0.000 0.992 693 E CA 1.944 58.377 56.400 0.054 0.000 0.804 693 E CB -0.492 29.224 29.700 0.026 0.000 0.741 693 E HN 0.771 nan 8.360 nan 0.000 0.458 694 N N -1.206 117.514 118.700 0.034 0.000 2.512 694 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 694 N C 0.739 176.195 175.510 -0.090 0.000 1.073 694 N CA 0.329 53.351 53.050 -0.048 0.000 0.911 694 N CB -0.092 38.319 38.487 -0.126 0.000 0.964 694 N HN 0.139 nan 8.380 nan 0.000 0.447 695 F N 1.382 121.279 119.950 -0.087 0.000 2.604 695 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 695 F C 1.924 177.724 175.800 -0.001 0.000 1.131 695 F CA 0.627 58.572 58.000 -0.092 0.000 1.457 695 F CB 0.139 39.029 39.000 -0.184 0.000 1.095 695 F HN -0.059 nan 8.300 nan 0.000 0.574 696 K N 0.107 120.600 120.400 0.156 0.000 2.209 696 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 696 K C 1.693 178.352 176.600 0.098 0.000 1.048 696 K CA 1.174 57.535 56.287 0.125 0.000 0.940 696 K CB -0.264 32.289 32.500 0.088 0.000 0.729 696 K HN 0.427 nan 8.250 nan 0.000 0.451 697 Q N 0.360 120.196 119.800 0.060 0.000 2.331 697 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 697 Q C 0.938 176.978 176.000 0.067 0.000 0.944 697 Q CA 0.352 56.183 55.803 0.046 0.000 0.892 697 Q CB 0.354 29.099 28.738 0.012 0.000 0.983 697 Q HN 0.159 nan 8.270 nan 0.000 0.482 698 V N -2.259 117.703 119.914 0.080 0.000 2.994 698 V HA 0.424 4.544 4.120 -0.000 0.000 0.318 698 V C -0.716 175.516 176.094 0.231 0.000 1.085 698 V CA -1.190 61.186 62.300 0.127 0.000 0.998 698 V CB 2.019 33.882 31.823 0.066 0.000 1.063 698 V HN -0.024 nan 8.190 nan 0.000 0.447 699 E N 1.565 121.926 120.200 0.269 0.000 2.200 699 E HA 0.383 4.733 4.350 -0.000 0.000 0.283 699 E C -1.765 175.206 176.600 0.618 0.000 1.015 699 E CA -0.331 56.295 56.400 0.377 0.000 0.819 699 E CB 1.462 31.298 29.700 0.226 0.000 1.081 699 E HN 0.683 nan 8.360 nan 0.000 0.397 700 Y N 3.469 124.053 120.300 0.472 0.000 2.364 700 Y HA 0.380 4.930 4.550 -0.000 0.000 0.340 700 Y C -1.335 174.681 175.900 0.194 0.000 0.975 700 Y CA -1.245 57.091 58.100 0.395 0.000 1.089 700 Y CB 0.887 39.600 38.460 0.422 0.000 1.192 700 Y HN 0.425 nan 8.280 nan 0.000 0.454 701 L N 7.826 128.792 121.223 -0.428 0.000 2.319 701 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 701 L C -1.545 174.840 176.870 -0.808 0.000 1.005 701 L CA -0.732 53.636 54.840 -0.786 0.000 0.828 701 L CB 1.103 42.347 42.059 -1.359 0.000 1.227 701 L HN 0.617 nan 8.230 nan 0.000 0.415 702 L N 6.499 127.328 121.223 -0.657 0.000 2.298 702 L HA 0.567 4.907 4.340 -0.000 0.000 0.284 702 L C -0.901 175.842 176.870 -0.212 0.000 1.013 702 L CA -0.495 54.055 54.840 -0.483 0.000 0.824 702 L CB 1.649 43.492 42.059 -0.360 0.000 1.221 702 L HN 0.599 nan 8.230 nan 0.000 0.418 703 I N 4.120 124.591 120.570 -0.165 0.000 2.465 703 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 703 I C -0.731 175.388 176.117 0.002 0.000 1.014 703 I CA -0.619 60.640 61.300 -0.068 0.000 1.093 703 I CB 1.891 39.819 38.000 -0.121 0.000 1.267 703 I HN 0.503 nan 8.210 nan 0.000 0.431 704 H N 2.967 122.113 119.070 0.127 0.000 3.046 704 H HA 0.473 5.029 4.556 -0.000 0.000 0.363 704 H C -0.749 174.798 175.328 0.366 0.000 1.203 704 H CA -0.618 55.565 56.048 0.225 0.000 1.169 704 H CB 2.538 32.445 29.762 0.241 0.000 1.851 704 H HN 0.732 nan 8.280 nan 0.000 0.546 705 G N 0.758 109.910 108.800 0.588 0.000 2.338 705 G HA2 0.248 4.207 3.960 -0.000 0.000 0.298 705 G HA3 0.248 4.207 3.960 -0.000 0.000 0.298 705 G C 1.050 176.163 174.900 0.356 0.000 1.140 705 G CA 0.121 45.484 45.100 0.438 0.000 0.860 705 G HN 0.646 nan 8.290 nan 0.000 0.470 706 T N -0.516 114.069 114.554 0.051 0.000 2.962 706 T HA 0.042 4.392 4.350 -0.000 0.000 0.270 706 T C 1.792 176.420 174.700 -0.121 0.000 1.088 706 T CA 1.276 63.195 62.100 -0.301 0.000 1.127 706 T CB 0.160 68.807 68.868 -0.368 0.000 0.883 706 T HN 0.642 nan 8.240 nan 0.000 0.493 707 A N 0.943 123.783 122.820 0.033 0.000 2.507 707 A HA 0.275 4.595 4.320 -0.000 0.000 0.270 707 A C 0.545 178.081 177.584 -0.080 0.000 1.318 707 A CA -0.473 51.599 52.037 0.058 0.000 0.924 707 A CB -0.289 18.992 19.000 0.468 0.000 1.061 707 A HN 0.366 nan 8.150 nan 0.000 0.516 708 D N 1.655 122.023 120.400 -0.054 0.000 2.349 708 D HA -0.028 4.612 4.640 -0.000 0.000 0.266 708 D C 0.387 176.628 176.300 -0.098 0.000 1.293 708 D CA 0.264 54.329 54.000 0.107 0.000 0.926 708 D CB 0.592 41.620 40.800 0.380 0.000 1.090 708 D HN 0.579 nan 8.370 nan 0.000 0.502 709 D N 2.419 122.841 120.400 0.036 0.000 2.323 709 D HA -0.146 4.493 4.640 -0.000 0.000 0.209 709 D C 1.019 177.307 176.300 -0.019 0.000 0.973 709 D CA -0.024 53.975 54.000 -0.003 0.000 0.874 709 D CB 0.404 41.239 40.800 0.058 0.000 0.930 709 D HN 0.236 nan 8.370 nan 0.000 0.521 710 N N 1.031 119.827 118.700 0.159 0.000 2.272 710 N HA -0.062 4.678 4.740 -0.000 0.000 0.195 710 N C 0.007 175.455 175.510 -0.103 0.000 1.048 710 N CA 0.500 53.680 53.050 0.216 0.000 0.912 710 N CB 0.198 38.773 38.487 0.146 0.000 1.096 710 N HN -0.101 nan 8.380 nan 0.000 0.471 711 V N 2.977 122.808 119.914 -0.138 0.000 2.339 711 V HA 0.154 4.274 4.120 -0.000 0.000 0.261 711 V C -0.396 175.719 176.094 0.035 0.000 1.058 711 V CA -0.273 61.991 62.300 -0.060 0.000 0.897 711 V CB -0.600 31.212 31.823 -0.018 0.000 1.052 711 V HN 0.302 nan 8.190 nan 0.000 0.480 712 H N 3.351 122.365 119.070 -0.092 0.000 2.871 712 H HA -0.008 4.548 4.556 -0.000 0.000 0.355 712 H C 0.779 175.925 175.328 -0.302 0.000 1.092 712 H CA -0.132 55.776 56.048 -0.233 0.000 1.420 712 H CB 0.733 30.278 29.762 -0.361 0.000 1.400 712 H HN 0.624 nan 8.280 nan 0.000 0.604 713 F N 1.990 121.705 119.950 -0.391 0.000 2.236 713 F HA -0.290 4.236 4.527 -0.000 0.000 0.302 713 F C 2.557 178.083 175.800 -0.456 0.000 1.073 713 F CA 1.695 59.297 58.000 -0.664 0.000 1.336 713 F CB -0.223 38.557 39.000 -0.367 0.000 1.040 713 F HN 0.665 nan 8.300 nan 0.000 0.507 714 Q N 0.219 119.840 119.800 -0.299 0.000 2.156 714 Q HA -0.326 4.013 4.340 -0.000 0.000 0.211 714 Q C 2.071 177.816 176.000 -0.425 0.000 0.995 714 Q CA 2.400 57.981 55.803 -0.371 0.000 0.877 714 Q CB -0.394 28.105 28.738 -0.399 0.000 0.920 714 Q HN 0.590 nan 8.270 nan 0.000 0.416 715 Q N -0.379 119.223 119.800 -0.331 0.000 2.096 715 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 715 Q C 2.251 178.163 176.000 -0.147 0.000 0.982 715 Q CA 1.737 57.480 55.803 -0.102 0.000 0.850 715 Q CB -0.103 28.640 28.738 0.010 0.000 0.901 715 Q HN 0.332 nan 8.270 nan 0.000 0.422 716 S N 0.346 115.854 115.700 -0.320 0.000 2.414 716 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 716 S C 1.965 176.344 174.600 -0.367 0.000 1.022 716 S CA 0.655 58.691 58.200 -0.273 0.000 0.958 716 S CB -0.001 63.063 63.200 -0.226 0.000 0.797 716 S HN 0.453 nan 8.310 nan 0.000 0.493 717 A N 1.463 123.932 122.820 -0.584 0.000 1.898 717 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 717 A C 2.118 179.589 177.584 -0.188 0.000 1.181 717 A CA 1.052 52.844 52.037 -0.408 0.000 0.620 717 A CB -0.449 18.296 19.000 -0.424 0.000 0.819 717 A HN 0.377 nan 8.150 nan 0.000 0.442 718 Q N -0.996 118.709 119.800 -0.158 0.000 2.167 718 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 718 Q C 2.067 178.039 176.000 -0.047 0.000 0.970 718 Q CA 1.154 56.930 55.803 -0.046 0.000 0.855 718 Q CB -0.449 28.338 28.738 0.083 0.000 0.911 718 Q HN 0.574 nan 8.270 nan 0.000 0.438 719 L N 1.256 122.430 121.223 -0.081 0.000 2.027 719 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 719 L C 2.445 179.195 176.870 -0.200 0.000 1.074 719 L CA 2.399 57.157 54.840 -0.136 0.000 0.745 719 L CB -1.081 40.902 42.059 -0.128 0.000 0.898 719 L HN 0.226 nan 8.230 nan 0.000 0.433 720 S N -0.816 114.812 115.700 -0.121 0.000 2.383 720 S HA -0.305 4.164 4.470 -0.000 0.000 0.229 720 S C 2.157 176.787 174.600 0.050 0.000 1.030 720 S CA 1.526 59.736 58.200 0.016 0.000 1.002 720 S CB -0.655 62.683 63.200 0.230 0.000 0.829 720 S HN 0.555 nan 8.310 nan 0.000 0.467 721 K N 1.668 122.069 120.400 0.002 0.000 2.057 721 K HA 0.053 4.373 4.320 -0.000 0.000 0.207 721 K C 2.282 178.873 176.600 -0.014 0.000 1.049 721 K CA 1.209 57.504 56.287 0.012 0.000 0.931 721 K CB -0.746 31.752 32.500 -0.004 0.000 0.714 721 K HN 0.448 nan 8.250 nan 0.000 0.440 722 A N 0.891 123.673 122.820 -0.063 0.000 1.933 722 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 722 A C 2.085 179.604 177.584 -0.109 0.000 1.175 722 A CA 1.285 53.276 52.037 -0.077 0.000 0.628 722 A CB -0.555 18.390 19.000 -0.093 0.000 0.814 722 A HN 0.326 nan 8.150 nan 0.000 0.444 723 L N -0.814 120.280 121.223 -0.216 0.000 2.072 723 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 723 L C 2.484 179.338 176.870 -0.025 0.000 1.079 723 L CA 0.793 55.461 54.840 -0.287 0.000 0.752 723 L CB -0.536 41.002 42.059 -0.868 0.000 0.906 723 L HN 0.220 nan 8.230 nan 0.000 0.436 724 V N -0.045 119.930 119.914 0.103 0.000 2.343 724 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 724 V C 1.930 178.073 176.094 0.081 0.000 1.051 724 V CA 1.940 64.342 62.300 0.169 0.000 1.036 724 V CB -0.484 31.441 31.823 0.170 0.000 0.654 724 V HN 0.419 nan 8.190 nan 0.000 0.451 725 D N 0.301 120.726 120.400 0.040 0.000 2.264 725 D HA -0.027 4.612 4.640 -0.000 0.000 0.208 725 D C 1.824 178.137 176.300 0.022 0.000 0.966 725 D CA 1.300 55.315 54.000 0.025 0.000 0.864 725 D CB -0.146 40.660 40.800 0.010 0.000 0.933 725 D HN 0.471 nan 8.370 nan 0.000 0.499 726 A N -0.492 122.338 122.820 0.017 0.000 2.307 726 A HA 0.481 4.801 4.320 -0.000 0.000 0.218 726 A C 1.634 179.244 177.584 0.043 0.000 1.228 726 A CA 0.620 52.669 52.037 0.020 0.000 0.857 726 A CB -0.292 18.710 19.000 0.004 0.000 0.897 726 A HN 0.170 nan 8.150 nan 0.000 0.495 727 G N -0.733 108.103 108.800 0.060 0.000 2.198 727 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.260 727 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.260 727 G C 0.083 175.046 174.900 0.105 0.000 1.025 727 G CA 0.317 45.464 45.100 0.077 0.000 0.769 727 G HN 0.809 nan 8.290 nan 0.000 0.507 728 V N 0.449 120.441 119.914 0.130 0.000 2.432 728 V HA 0.423 4.542 4.120 -0.000 0.000 0.275 728 V C 0.431 176.720 176.094 0.324 0.000 1.043 728 V CA -0.548 61.859 62.300 0.179 0.000 0.925 728 V CB 1.682 33.569 31.823 0.107 0.000 0.985 728 V HN 0.375 nan 8.190 nan 0.000 0.466 729 D N 4.684 125.254 120.400 0.284 0.000 2.308 729 D HA 0.559 5.199 4.640 -0.000 0.000 0.251 729 D C -0.689 175.868 176.300 0.429 0.000 1.127 729 D CA 0.117 54.288 54.000 0.286 0.000 0.876 729 D CB 0.596 41.492 40.800 0.159 0.000 1.176 729 D HN 0.364 nan 8.370 nan 0.000 0.446 730 F N 0.405 120.427 119.950 0.120 0.000 2.693 730 F HA 0.430 4.956 4.527 -0.000 0.000 0.309 730 F C -1.001 174.846 175.800 0.078 0.000 1.129 730 F CA -1.129 56.964 58.000 0.155 0.000 0.948 730 F CB 0.815 39.937 39.000 0.204 0.000 1.315 730 F HN 0.178 nan 8.300 nan 0.000 0.447 731 Q N 0.894 120.720 119.800 0.044 0.000 2.214 731 Q HA 0.673 5.012 4.340 -0.000 0.000 0.251 731 Q C -1.158 174.726 176.000 -0.192 0.000 0.936 731 Q CA -0.670 55.060 55.803 -0.120 0.000 0.894 731 Q CB 2.089 30.830 28.738 0.004 0.000 1.252 731 Q HN 0.904 nan 8.270 nan 0.000 0.448 732 T N 1.546 115.976 114.554 -0.206 0.000 2.900 732 T HA 0.628 4.978 4.350 -0.000 0.000 0.303 732 T C -1.742 172.849 174.700 -0.181 0.000 1.142 732 T CA -0.578 61.428 62.100 -0.157 0.000 1.007 732 T CB 1.106 69.899 68.868 -0.125 0.000 1.156 732 T HN 0.510 nan 8.240 nan 0.000 0.490 733 M N 4.217 123.712 119.600 -0.174 0.000 2.213 733 M HA 0.460 4.940 4.480 -0.000 0.000 0.243 733 M C -1.788 174.383 176.300 -0.215 0.000 0.979 733 M CA -0.695 54.387 55.300 -0.362 0.000 1.037 733 M CB 0.794 33.096 32.600 -0.497 0.000 2.200 733 M HN 0.695 nan 8.290 nan 0.000 0.465 734 W N 4.645 125.816 121.300 -0.216 0.000 2.237 734 W HA 0.658 5.318 4.660 -0.000 0.000 0.335 734 W C -1.908 174.378 176.519 -0.388 0.000 1.230 734 W CA -0.505 56.772 57.345 -0.113 0.000 1.253 734 W CB 0.155 29.568 29.460 -0.078 0.000 1.129 734 W HN 0.609 nan 8.180 nan 0.000 0.590 735 Y N 2.684 123.117 120.300 0.222 0.000 2.338 735 Y HA 0.283 4.833 4.550 -0.000 0.000 0.328 735 Y C 0.406 176.403 175.900 0.160 0.000 0.965 735 Y CA -1.135 57.015 58.100 0.082 0.000 1.208 735 Y CB 1.463 39.930 38.460 0.011 0.000 1.132 735 Y HN 0.425 nan 8.280 nan 0.000 0.469 736 T N 4.700 119.422 114.554 0.280 0.000 2.829 736 T HA 0.012 4.362 4.350 -0.000 0.000 0.293 736 T C 0.145 174.883 174.700 0.063 0.000 0.970 736 T CA 0.490 62.665 62.100 0.126 0.000 1.168 736 T CB -0.058 68.831 68.868 0.036 0.000 0.911 736 T HN 0.712 nan 8.240 nan 0.000 0.535 737 D N 0.708 121.109 120.400 0.001 0.000 3.046 737 D HA -0.124 4.516 4.640 -0.000 0.000 0.210 737 D C 0.193 176.580 176.300 0.144 0.000 1.124 737 D CA 1.116 55.040 54.000 -0.126 0.000 0.986 737 D CB -0.405 40.099 40.800 -0.493 0.000 1.118 737 D HN 0.558 nan 8.370 nan 0.000 0.416 738 E N 1.253 121.564 120.200 0.184 0.000 2.331 738 E HA 0.277 4.627 4.350 -0.000 0.000 0.272 738 E C 0.849 177.612 176.600 0.271 0.000 1.036 738 E CA -0.198 56.338 56.400 0.226 0.000 0.864 738 E CB 1.115 30.932 29.700 0.196 0.000 1.035 738 E HN 0.366 nan 8.360 nan 0.000 0.408 739 D N 0.411 120.992 120.400 0.301 0.000 2.511 739 D HA -0.019 4.620 4.640 -0.000 0.000 0.283 739 D C 1.103 177.632 176.300 0.382 0.000 1.198 739 D CA -0.141 54.066 54.000 0.345 0.000 1.097 739 D CB -0.161 40.871 40.800 0.387 0.000 1.160 739 D HN 0.393 nan 8.370 nan 0.000 0.589 740 H N -1.427 117.826 119.070 0.306 0.000 2.421 740 H HA 0.100 4.656 4.556 -0.000 0.000 0.298 740 H C 1.952 177.557 175.328 0.461 0.000 1.087 740 H CA 2.172 58.424 56.048 0.340 0.000 1.330 740 H CB -0.480 29.479 29.762 0.328 0.000 1.388 740 H HN 0.500 nan 8.280 nan 0.000 0.526 741 G N -0.005 108.995 108.800 0.333 0.000 2.511 741 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 741 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 741 G C 0.674 175.804 174.900 0.383 0.000 1.133 741 G CA 0.360 45.597 45.100 0.229 0.000 0.792 741 G HN 0.543 nan 8.290 nan 0.000 0.539 742 I N -0.083 120.690 120.570 0.337 0.000 6.313 742 I HA -0.326 3.844 4.170 -0.000 0.000 0.126 742 I C 1.532 177.770 176.117 0.201 0.000 1.598 742 I CA 0.141 61.574 61.300 0.222 0.000 2.457 742 I CB -1.455 36.615 38.000 0.116 0.000 3.027 742 I HN 0.256 nan 8.210 nan 0.000 0.280 743 A N 1.212 124.129 122.820 0.162 0.000 2.348 743 A HA 0.235 4.555 4.320 -0.000 0.000 0.224 743 A C 1.227 178.852 177.584 0.068 0.000 1.227 743 A CA 0.612 52.705 52.037 0.093 0.000 0.885 743 A CB 0.128 19.154 19.000 0.043 0.000 0.933 743 A HN 0.685 nan 8.150 nan 0.000 0.506 744 S N 0.106 115.865 115.700 0.098 0.000 2.549 744 S HA 0.006 4.475 4.470 -0.000 0.000 0.286 744 S C 0.998 175.655 174.600 0.094 0.000 1.314 744 S CA 0.037 58.289 58.200 0.087 0.000 1.062 744 S CB 0.291 63.549 63.200 0.097 0.000 0.865 744 S HN 0.464 nan 8.310 nan 0.000 0.498 745 N N 2.119 120.862 118.700 0.073 0.000 2.073 745 N HA -0.182 4.558 4.740 -0.000 0.000 0.199 745 N C 1.468 177.049 175.510 0.117 0.000 1.023 745 N CA 2.035 55.136 53.050 0.084 0.000 0.880 745 N CB -0.231 38.288 38.487 0.053 0.000 1.052 745 N HN 0.629 nan 8.380 nan 0.000 0.449 746 M N 0.286 119.939 119.600 0.089 0.000 2.200 746 M HA 0.024 4.504 4.480 -0.000 0.000 0.265 746 M C 2.218 178.574 176.300 0.094 0.000 1.066 746 M CA 0.623 55.975 55.300 0.088 0.000 1.127 746 M CB -1.353 31.287 32.600 0.067 0.000 1.379 746 M HN 0.130 nan 8.290 nan 0.000 0.420 747 A N -1.132 121.720 122.820 0.053 0.000 1.929 747 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 747 A C 2.052 179.579 177.584 -0.096 0.000 1.176 747 A CA 1.931 53.923 52.037 -0.075 0.000 0.628 747 A CB -1.019 17.896 19.000 -0.141 0.000 0.816 747 A HN 0.572 nan 8.150 nan 0.000 0.444 748 H N -0.215 118.836 119.070 -0.032 0.000 2.352 748 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 748 H C 2.083 177.488 175.328 0.128 0.000 1.097 748 H CA 2.297 58.383 56.048 0.063 0.000 1.311 748 H CB -0.177 29.637 29.762 0.088 0.000 1.377 748 H HN 0.546 nan 8.280 nan 0.000 0.504 749 Q N -1.024 118.781 119.800 0.009 0.000 2.079 749 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 749 Q C 2.168 178.173 176.000 0.007 0.000 0.974 749 Q CA 1.330 57.117 55.803 -0.026 0.000 0.840 749 Q CB -0.156 28.609 28.738 0.046 0.000 0.898 749 Q HN 0.661 nan 8.270 nan 0.000 0.430 750 H N 0.491 119.541 119.070 -0.034 0.000 2.363 750 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 750 H C 2.057 177.396 175.328 0.019 0.000 1.074 750 H CA 1.101 57.166 56.048 0.029 0.000 1.354 750 H CB 0.032 29.862 29.762 0.113 0.000 1.397 750 H HN 0.254 nan 8.280 nan 0.000 0.516 751 I N 0.228 120.771 120.570 -0.046 0.000 2.286 751 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 751 I C 1.660 177.557 176.117 -0.368 0.000 1.115 751 I CA 1.270 62.446 61.300 -0.207 0.000 1.392 751 I CB -0.197 37.482 38.000 -0.536 0.000 1.065 751 I HN 0.157 nan 8.210 nan 0.000 0.418 752 Y N 0.705 120.814 120.300 -0.319 0.000 2.337 752 Y HA -0.140 4.410 4.550 -0.000 0.000 0.293 752 Y C 2.683 178.412 175.900 -0.285 0.000 1.123 752 Y CA 1.517 59.309 58.100 -0.514 0.000 1.201 752 Y CB -0.787 37.364 38.460 -0.514 0.000 1.011 752 Y HN 0.127 nan 8.280 nan 0.000 0.545 753 T N -1.551 112.977 114.554 -0.043 0.000 2.737 753 T HA -0.232 4.118 4.350 -0.000 0.000 0.265 753 T C 1.584 176.298 174.700 0.024 0.000 1.038 753 T CA 1.943 64.015 62.100 -0.045 0.000 1.144 753 T CB -0.464 68.361 68.868 -0.072 0.000 0.866 753 T HN 0.411 nan 8.240 nan 0.000 0.434 754 H N 0.705 119.728 119.070 -0.079 0.000 2.353 754 H HA 0.138 4.694 4.556 -0.000 0.000 0.300 754 H C 2.176 177.527 175.328 0.039 0.000 1.090 754 H CA 1.458 57.504 56.048 -0.004 0.000 1.327 754 H CB -0.227 29.497 29.762 -0.063 0.000 1.383 754 H HN 0.233 nan 8.280 nan 0.000 0.508 755 M N -0.887 118.691 119.600 -0.038 0.000 2.229 755 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 755 M C 2.352 178.770 176.300 0.196 0.000 1.063 755 M CA 1.338 56.598 55.300 -0.067 0.000 1.114 755 M CB 0.100 32.415 32.600 -0.475 0.000 1.387 755 M HN 0.216 nan 8.290 nan 0.000 0.420 756 S N -0.774 115.072 115.700 0.242 0.000 2.368 756 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 756 S C 1.692 176.368 174.600 0.127 0.000 1.029 756 S CA 0.856 59.263 58.200 0.344 0.000 0.988 756 S CB -0.468 62.934 63.200 0.337 0.000 0.838 756 S HN 0.463 nan 8.310 nan 0.000 0.462 757 H N -0.103 119.020 119.070 0.088 0.000 2.290 757 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 757 H C 2.017 177.342 175.328 -0.005 0.000 1.087 757 H CA 1.537 57.591 56.048 0.011 0.000 1.291 757 H CB -0.761 28.959 29.762 -0.070 0.000 1.369 757 H HN 0.442 nan 8.280 nan 0.000 0.492 758 F N 1.099 121.022 119.950 -0.044 0.000 2.095 758 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 758 F C 2.570 178.318 175.800 -0.086 0.000 1.104 758 F CA 0.982 58.925 58.000 -0.094 0.000 1.232 758 F CB -0.511 38.404 39.000 -0.142 0.000 0.987 758 F HN 0.012 nan 8.300 nan 0.000 0.475 759 L N 0.099 121.342 121.223 0.033 0.000 2.056 759 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 759 L C 2.429 179.114 176.870 -0.307 0.000 1.078 759 L CA 1.605 56.308 54.840 -0.227 0.000 0.749 759 L CB -0.517 41.502 42.059 -0.067 0.000 0.901 759 L HN 0.170 nan 8.230 nan 0.000 0.433 760 K N -0.654 119.700 120.400 -0.076 0.000 2.097 760 K HA -0.194 4.126 4.320 -0.000 0.000 0.205 760 K C 2.024 178.614 176.600 -0.017 0.000 1.050 760 K CA 1.195 57.487 56.287 0.009 0.000 0.938 760 K CB -0.032 32.504 32.500 0.060 0.000 0.718 760 K HN 0.448 nan 8.250 nan 0.000 0.442 761 Q N 0.038 119.788 119.800 -0.084 0.000 2.079 761 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 761 Q C 2.459 178.368 176.000 -0.152 0.000 0.974 761 Q CA 1.416 57.156 55.803 -0.105 0.000 0.840 761 Q CB -0.251 28.404 28.738 -0.139 0.000 0.898 761 Q HN 0.420 nan 8.270 nan 0.000 0.430 762 c N -0.025 118.392 118.600 -0.305 0.000 2.446 762 c HA -0.070 4.500 4.570 -0.000 0.000 0.277 762 c C 1.982 176.079 174.090 0.012 0.000 1.275 762 c CA 0.219 56.385 56.329 -0.273 0.000 1.727 762 c CB -0.894 41.301 42.510 -0.525 0.000 2.010 762 c HN 0.397 nan 8.230 nan 0.000 0.486 763 F N 2.218 122.136 119.950 -0.054 0.000 2.804 763 F HA 0.201 4.728 4.527 -0.000 0.000 0.303 763 F C 1.823 177.611 175.800 -0.019 0.000 1.154 763 F CA 0.599 58.588 58.000 -0.019 0.000 1.401 763 F CB -1.288 37.710 39.000 -0.004 0.000 1.106 763 F HN 0.335 nan 8.300 nan 0.000 0.568 764 S N -0.030 115.754 115.700 0.139 0.000 3.319 764 S HA -0.252 4.217 4.470 -0.000 0.000 0.319 764 S C 0.413 175.057 174.600 0.074 0.000 1.236 764 S CA 0.197 58.441 58.200 0.074 0.000 0.964 764 S CB -2.138 61.095 63.200 0.055 0.000 1.040 764 S HN 0.278 nan 8.310 nan 0.000 0.620 765 L N 2.715 124.003 121.223 0.108 0.000 2.367 765 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 765 L C -0.965 175.946 176.870 0.067 0.000 1.129 765 L CA -1.678 53.215 54.840 0.089 0.000 0.839 765 L CB 0.343 42.476 42.059 0.124 0.000 1.133 765 L HN 0.053 nan 8.230 nan 0.000 0.453 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.131 63.100 0.052 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726