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 1orv_1_A 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 0.000 174.640 174.600 0.066 0.000 1.055 39 S CA 0.000 58.247 58.200 0.079 0.000 1.107 39 S CB 0.000 63.254 63.200 0.090 0.000 0.593 40 R N 1.593 122.132 120.500 0.065 0.000 2.583 40 R HA 0.107 4.066 4.340 -0.634 0.000 0.051 40 R C -0.661 175.670 176.300 0.052 0.000 0.501 40 R CA 0.489 56.612 56.100 0.038 0.000 0.740 40 R CB -0.614 29.700 30.300 0.023 0.000 0.857 40 R HN 0.879 nan 8.270 nan 0.000 0.591 41 R N -1.447 119.102 120.500 0.082 0.000 2.867 41 R HA 0.828 4.787 4.340 -0.634 0.000 0.268 41 R C -0.471 175.908 176.300 0.131 0.000 1.014 41 R CA -0.379 55.782 56.100 0.102 0.000 0.946 41 R CB 1.594 31.961 30.300 0.113 0.000 1.208 41 R HN 0.016 nan 8.270 nan 0.000 0.477 42 T N -2.268 112.378 114.554 0.153 0.000 2.883 42 T HA 0.302 4.272 4.350 -0.634 0.000 0.284 42 T C -1.013 173.842 174.700 0.257 0.000 1.041 42 T CA -0.737 61.478 62.100 0.191 0.000 1.007 42 T CB 0.845 69.820 68.868 0.178 0.000 1.220 42 T HN 0.528 nan 8.240 nan 0.000 0.552 43 Y N 2.672 123.068 120.300 0.160 0.000 2.486 43 Y HA 0.410 4.579 4.550 -0.635 0.000 0.348 43 Y C 0.904 176.984 175.900 0.301 0.000 1.000 43 Y CA -0.349 57.879 58.100 0.214 0.000 1.253 43 Y CB -0.160 38.378 38.460 0.130 0.000 1.140 43 Y HN 0.993 nan 8.280 nan 0.000 0.526 44 T N 2.555 117.078 114.554 -0.052 0.000 2.862 44 T HA 0.149 4.118 4.350 -0.634 0.000 0.276 44 T C 0.973 175.526 174.700 -0.243 0.000 0.974 44 T CA -0.724 61.381 62.100 0.008 0.000 0.966 44 T CB 1.199 70.061 68.868 -0.009 0.000 1.072 44 T HN 0.676 nan 8.240 nan 0.000 0.538 45 L N 0.980 121.890 121.223 -0.522 0.000 2.046 45 L HA 0.024 3.983 4.340 -0.634 0.000 0.208 45 L C 2.599 179.307 176.870 -0.269 0.000 1.077 45 L CA 2.129 56.539 54.840 -0.717 0.000 0.747 45 L CB -1.521 39.997 42.059 -0.902 0.000 0.896 45 L HN 0.958 nan 8.230 nan 0.000 0.432 46 T N -0.512 113.916 114.554 -0.210 0.000 2.746 46 T HA -0.165 3.805 4.350 -0.634 0.000 0.267 46 T C 1.522 176.137 174.700 -0.140 0.000 1.039 46 T CA 1.486 63.503 62.100 -0.139 0.000 1.142 46 T CB -0.369 68.441 68.868 -0.097 0.000 0.866 46 T HN 0.414 nan 8.240 nan 0.000 0.444 47 D N 0.089 120.376 120.400 -0.188 0.000 2.123 47 D HA -0.105 4.155 4.640 -0.634 0.000 0.196 47 D C 1.792 178.035 176.300 -0.095 0.000 0.992 47 D CA 1.146 55.032 54.000 -0.189 0.000 0.833 47 D CB -0.331 40.285 40.800 -0.307 0.000 0.954 47 D HN 0.419 nan 8.370 nan 0.000 0.455 48 Y N 1.639 121.774 120.300 -0.275 0.000 2.133 48 Y HA -0.114 4.054 4.550 -0.636 0.000 0.287 48 Y C 2.277 178.205 175.900 0.047 0.000 1.134 48 Y CA 1.204 59.327 58.100 0.039 0.000 1.133 48 Y CB -0.679 37.847 38.460 0.110 0.000 0.987 48 Y HN -0.118 nan 8.280 nan 0.000 0.502 49 L N 0.066 121.104 121.223 -0.307 0.000 2.083 49 L HA -0.198 3.762 4.340 -0.634 0.000 0.209 49 L C 1.959 178.725 176.870 -0.174 0.000 1.083 49 L CA 1.416 56.052 54.840 -0.339 0.000 0.752 49 L CB -0.471 41.469 42.059 -0.197 0.000 0.899 49 L HN 0.092 nan 8.230 nan 0.000 0.433 50 K N -0.497 119.831 120.400 -0.120 0.000 2.374 50 K HA 0.168 4.108 4.320 -0.634 0.000 0.196 50 K C 0.760 177.327 176.600 -0.055 0.000 1.023 50 K CA 0.071 56.312 56.287 -0.078 0.000 1.103 50 K CB 0.493 32.947 32.500 -0.076 0.000 0.848 50 K HN 0.072 nan 8.250 nan 0.000 0.528 51 S N 1.002 116.684 115.700 -0.031 0.000 3.614 51 S HA -0.148 3.941 4.470 -0.634 0.000 0.360 51 S C 1.264 175.886 174.600 0.036 0.000 1.023 51 S CA 1.037 59.271 58.200 0.057 0.000 1.114 51 S CB -1.866 61.358 63.200 0.041 0.000 0.907 51 S HN 0.631 nan 8.310 nan 0.000 0.470 52 T N -2.315 112.212 114.554 -0.044 0.000 2.849 52 T HA -0.036 3.934 4.350 -0.634 0.000 0.270 52 T C 0.381 174.878 174.700 -0.338 0.000 1.066 52 T CA 0.979 62.933 62.100 -0.244 0.000 1.130 52 T CB -0.403 68.210 68.868 -0.426 0.000 0.864 52 T HN 0.407 nan 8.240 nan 0.000 0.481 53 F N 1.973 122.026 119.950 0.171 0.000 2.332 53 F HA 0.605 4.751 4.527 -0.635 0.000 0.368 53 F C 0.443 176.348 175.800 0.175 0.000 1.110 53 F CA -1.618 56.496 58.000 0.190 0.000 1.087 53 F CB 0.992 40.161 39.000 0.282 0.000 1.235 53 F HN -0.144 nan 8.300 nan 0.000 0.470 54 R N 2.147 122.793 120.500 0.244 0.000 2.298 54 R HA 0.512 4.472 4.340 -0.634 0.000 0.310 54 R C -1.290 175.124 176.300 0.190 0.000 1.068 54 R CA -0.213 55.993 56.100 0.177 0.000 0.957 54 R CB 0.643 30.990 30.300 0.078 0.000 1.003 54 R HN 0.437 nan 8.270 nan 0.000 0.454 55 V N 6.178 126.223 119.914 0.219 0.000 2.333 55 V HA 0.291 4.030 4.120 -0.634 0.000 0.274 55 V C 0.176 176.361 176.094 0.151 0.000 1.028 55 V CA -0.583 61.861 62.300 0.240 0.000 0.851 55 V CB 1.125 33.167 31.823 0.364 0.000 1.000 55 V HN 0.718 nan 8.190 nan 0.000 0.456 56 K N 4.619 125.029 120.400 0.016 0.000 2.098 56 K HA 0.714 4.653 4.320 -0.634 0.000 0.257 56 K C -0.637 175.849 176.600 -0.191 0.000 0.999 56 K CA -0.175 55.952 56.287 -0.268 0.000 0.924 56 K CB 1.085 33.449 32.500 -0.227 0.000 1.028 56 K HN 0.582 nan 8.250 nan 0.000 0.466 57 F N -1.374 118.480 119.950 -0.161 0.000 2.790 57 F HA 0.509 4.655 4.527 -0.634 0.000 0.337 57 F C -1.246 174.171 175.800 -0.637 0.000 1.163 57 F CA -1.353 56.293 58.000 -0.590 0.000 0.997 57 F CB 0.759 39.655 39.000 -0.173 0.000 1.437 57 F HN 0.335 nan 8.300 nan 0.000 0.512 58 Y N 0.690 120.542 120.300 -0.746 0.000 2.359 58 Y HA 0.493 4.663 4.550 -0.634 0.000 0.336 58 Y C -1.106 174.766 175.900 -0.047 0.000 1.098 58 Y CA -0.819 57.078 58.100 -0.338 0.000 1.272 58 Y CB 1.222 39.369 38.460 -0.523 0.000 1.112 58 Y HN 0.732 nan 8.280 nan 0.000 0.481 59 T N 6.883 121.556 114.554 0.199 0.000 2.767 59 T HA 0.646 4.616 4.350 -0.634 0.000 0.288 59 T C -0.775 174.042 174.700 0.196 0.000 0.963 59 T CA -0.346 61.875 62.100 0.201 0.000 1.019 59 T CB 0.504 69.479 68.868 0.179 0.000 0.923 59 T HN 0.504 nan 8.240 nan 0.000 0.468 60 L N 1.291 122.564 121.223 0.083 0.000 2.359 60 L HA 0.742 4.702 4.340 -0.634 0.000 0.256 60 L C -0.904 175.938 176.870 -0.047 0.000 1.026 60 L CA -1.108 53.727 54.840 -0.009 0.000 0.828 60 L CB 1.719 43.480 42.059 -0.497 0.000 1.406 60 L HN 0.426 nan 8.230 nan 0.000 0.413 61 Q N 0.740 120.550 119.800 0.017 0.000 2.309 61 Q HA 0.413 4.372 4.340 -0.634 0.000 0.270 61 Q C -1.811 174.236 176.000 0.079 0.000 1.023 61 Q CA -0.259 55.585 55.803 0.069 0.000 0.758 61 Q CB 1.721 30.537 28.738 0.129 0.000 1.247 61 Q HN 0.648 nan 8.270 nan 0.000 0.455 62 W N 3.885 125.299 121.300 0.189 0.000 2.216 62 W HA 0.176 4.455 4.660 -0.635 0.000 0.326 62 W C 1.213 177.813 176.519 0.135 0.000 1.319 62 W CA -0.227 57.231 57.345 0.189 0.000 1.213 62 W CB 0.521 30.087 29.460 0.177 0.000 1.171 62 W HN 0.669 nan 8.180 nan 0.000 0.557 63 I N -0.167 120.604 120.570 0.335 0.000 4.439 63 I HA 0.329 4.118 4.170 -0.634 0.000 0.331 63 I C 0.502 176.709 176.117 0.150 0.000 1.345 63 I CA -0.153 61.253 61.300 0.177 0.000 1.193 63 I CB 0.044 38.070 38.000 0.044 0.000 1.221 63 I HN 0.256 nan 8.210 nan 0.000 0.429 64 S N 0.495 116.313 115.700 0.196 0.000 2.843 64 S HA 0.292 4.381 4.470 -0.634 0.000 0.301 64 S C -0.219 174.502 174.600 0.200 0.000 1.206 64 S CA 0.096 58.380 58.200 0.141 0.000 0.875 64 S CB 1.099 64.302 63.200 0.006 0.000 1.248 64 S HN 0.218 nan 8.310 nan 0.000 0.555 65 D N -0.110 120.430 120.400 0.234 0.000 2.347 65 D HA 0.016 4.275 4.640 -0.634 0.000 0.215 65 D C 1.121 177.640 176.300 0.366 0.000 0.976 65 D CA 1.221 55.374 54.000 0.254 0.000 0.884 65 D CB -0.409 40.546 40.800 0.259 0.000 0.915 65 D HN 0.777 nan 8.370 nan 0.000 0.526 66 H N -1.743 117.438 119.070 0.185 0.000 3.480 66 H HA 0.411 4.587 4.556 -0.634 0.000 0.257 66 H C -0.740 174.638 175.328 0.084 0.000 1.196 66 H CA -0.463 55.605 56.048 0.033 0.000 1.100 66 H CB -0.272 29.450 29.762 -0.068 0.000 1.683 66 H HN 0.068 nan 8.280 nan 0.000 0.702 67 E N 1.163 121.301 120.200 -0.103 0.000 2.266 67 E HA 0.452 4.421 4.350 -0.634 0.000 0.268 67 E C -1.515 175.157 176.600 0.120 0.000 0.879 67 E CA -1.207 55.115 56.400 -0.130 0.000 0.762 67 E CB 2.749 32.270 29.700 -0.299 0.000 1.199 67 E HN 0.302 nan 8.360 nan 0.000 0.422 68 Y N -0.294 119.955 120.300 -0.086 0.000 2.562 68 Y HA 0.610 4.780 4.550 -0.634 0.000 0.345 68 Y C -1.680 174.197 175.900 -0.039 0.000 1.045 68 Y CA -1.442 56.544 58.100 -0.190 0.000 1.028 68 Y CB 0.811 38.834 38.460 -0.730 0.000 1.297 68 Y HN 0.358 nan 8.280 nan 0.000 0.463 69 L N 3.626 125.007 121.223 0.264 0.000 2.325 69 L HA 0.512 4.472 4.340 -0.634 0.000 0.279 69 L C -1.194 175.990 176.870 0.525 0.000 1.054 69 L CA -0.964 54.037 54.840 0.269 0.000 0.804 69 L CB 1.418 43.572 42.059 0.158 0.000 1.200 69 L HN 0.793 nan 8.230 nan 0.000 0.436 70 Y N 2.083 122.604 120.300 0.368 0.000 2.479 70 Y HA 0.337 4.506 4.550 -0.635 0.000 0.338 70 Y C -0.973 175.061 175.900 0.223 0.000 1.055 70 Y CA -1.315 56.965 58.100 0.301 0.000 1.023 70 Y CB 1.666 40.334 38.460 0.347 0.000 1.287 70 Y HN 0.402 nan 8.280 nan 0.000 0.447 71 K N 4.895 124.950 120.400 -0.575 0.000 2.267 71 K HA 0.240 4.179 4.320 -0.634 0.000 0.282 71 K C -1.020 175.111 176.600 -0.783 0.000 1.078 71 K CA -0.477 55.535 56.287 -0.459 0.000 0.903 71 K CB 0.960 33.350 32.500 -0.182 0.000 1.111 71 K HN 0.695 nan 8.250 nan 0.000 0.475 72 Q N 3.591 123.162 119.800 -0.380 0.000 2.339 72 Q HA 0.080 4.040 4.340 -0.634 0.000 0.268 72 Q C -1.112 174.844 176.000 -0.074 0.000 1.027 72 Q CA -0.222 55.462 55.803 -0.199 0.000 0.759 72 Q CB 0.779 29.581 28.738 0.107 0.000 1.244 72 Q HN 0.591 nan 8.270 nan 0.000 0.464 73 E N 3.567 123.719 120.200 -0.079 0.000 2.287 73 E HA -0.410 3.559 4.350 -0.634 0.000 0.229 73 E C 0.067 176.650 176.600 -0.029 0.000 1.194 73 E CA 0.765 57.140 56.400 -0.042 0.000 0.704 73 E CB -1.819 27.873 29.700 -0.013 0.000 1.216 73 E HN 1.144 nan 8.360 nan 0.000 0.381 74 N N -0.477 118.196 118.700 -0.046 0.000 2.924 74 N HA -0.264 4.095 4.740 -0.634 0.000 0.210 74 N C -0.142 175.456 175.510 0.147 0.000 0.902 74 N CA 1.753 54.806 53.050 0.006 0.000 1.061 74 N CB -0.601 37.904 38.487 0.030 0.000 0.985 74 N HN 0.562 nan 8.380 nan 0.000 0.600 75 N N 0.959 119.696 118.700 0.060 0.000 2.492 75 N HA 0.495 4.854 4.740 -0.634 0.000 0.289 75 N C -0.582 174.922 175.510 -0.010 0.000 1.133 75 N CA -0.447 52.629 53.050 0.044 0.000 0.961 75 N CB 0.947 39.426 38.487 -0.013 0.000 1.186 75 N HN 0.184 nan 8.380 nan 0.000 0.493 76 I N 1.121 121.673 120.570 -0.030 0.000 2.312 76 I HA 0.202 3.991 4.170 -0.634 0.000 0.291 76 I C -0.282 175.857 176.117 0.037 0.000 1.031 76 I CA -0.611 60.658 61.300 -0.051 0.000 1.293 76 I CB 0.261 38.163 38.000 -0.163 0.000 1.403 76 I HN 0.302 nan 8.210 nan 0.000 0.484 77 L N 6.497 127.756 121.223 0.060 0.000 2.344 77 L HA 0.466 4.425 4.340 -0.634 0.000 0.272 77 L C -0.466 176.391 176.870 -0.021 0.000 1.035 77 L CA -0.964 53.856 54.840 -0.033 0.000 0.807 77 L CB 1.784 43.714 42.059 -0.216 0.000 1.237 77 L HN 0.426 nan 8.230 nan 0.000 0.442 78 L N 2.551 123.692 121.223 -0.137 0.000 2.297 78 L HA 0.461 4.420 4.340 -0.634 0.000 0.277 78 L C -0.865 175.831 176.870 -0.290 0.000 1.040 78 L CA 0.198 54.954 54.840 -0.140 0.000 0.867 78 L CB -0.004 42.034 42.059 -0.034 0.000 1.244 78 L HN 0.177 nan 8.230 nan 0.000 0.433 79 F N 3.324 123.052 119.950 -0.370 0.000 2.375 79 F HA 0.367 4.513 4.527 -0.634 0.000 0.333 79 F C 0.947 176.397 175.800 -0.584 0.000 1.104 79 F CA -0.148 57.538 58.000 -0.523 0.000 1.149 79 F CB 0.867 39.341 39.000 -0.877 0.000 1.190 79 F HN 0.505 nan 8.300 nan 0.000 0.533 80 N N 1.874 120.471 118.700 -0.171 0.000 2.444 80 N HA 0.304 4.663 4.740 -0.634 0.000 0.262 80 N C 0.374 175.760 175.510 -0.207 0.000 0.974 80 N CA -0.005 52.939 53.050 -0.176 0.000 0.933 80 N CB 1.750 40.211 38.487 -0.042 0.000 1.137 80 N HN 0.753 nan 8.380 nan 0.000 0.498 81 A N 4.756 127.415 122.820 -0.269 0.000 1.851 81 A HA -0.210 3.729 4.320 -0.634 0.000 0.216 81 A C 1.696 179.091 177.584 -0.316 0.000 1.195 81 A CA 1.690 53.582 52.037 -0.241 0.000 0.622 81 A CB -0.597 18.187 19.000 -0.359 0.000 0.831 81 A HN 0.875 nan 8.150 nan 0.000 0.444 82 E N -1.152 118.718 120.200 -0.551 0.000 2.055 82 E HA -0.287 3.682 4.350 -0.634 0.000 0.209 82 E C 1.874 178.305 176.600 -0.282 0.000 1.036 82 E CA 2.161 58.287 56.400 -0.457 0.000 0.849 82 E CB -0.531 28.667 29.700 -0.837 0.000 0.767 82 E HN 0.864 nan 8.360 nan 0.000 0.461 83 Y N -1.584 118.725 120.300 0.014 0.000 2.441 83 Y HA 0.357 4.527 4.550 -0.634 0.000 0.288 83 Y C 1.893 177.805 175.900 0.021 0.000 1.118 83 Y CA 0.189 58.302 58.100 0.021 0.000 1.215 83 Y CB 0.163 38.635 38.460 0.020 0.000 1.118 83 Y HN 0.246 nan 8.280 nan 0.000 0.547 84 G N 0.834 109.716 108.800 0.136 0.000 2.144 84 G HA2 -0.274 3.306 3.960 -0.634 0.000 0.218 84 G HA3 -0.274 3.306 3.960 -0.634 0.000 0.218 84 G C -0.314 174.680 174.900 0.157 0.000 0.988 84 G CA -0.117 45.067 45.100 0.141 0.000 0.659 84 G HN 0.474 nan 8.290 nan 0.000 0.522 85 N N 1.043 119.830 118.700 0.145 0.000 2.399 85 N HA 0.377 4.736 4.740 -0.634 0.000 0.259 85 N C 0.233 175.722 175.510 -0.035 0.000 1.160 85 N CA 0.582 53.675 53.050 0.072 0.000 0.946 85 N CB 1.141 39.685 38.487 0.095 0.000 1.156 85 N HN 0.719 nan 8.380 nan 0.000 0.489 86 S N 1.490 117.099 115.700 -0.151 0.000 2.525 86 S HA 0.525 4.614 4.470 -0.634 0.000 0.278 86 S C 0.003 174.424 174.600 -0.298 0.000 1.234 86 S CA -0.793 57.131 58.200 -0.459 0.000 1.058 86 S CB 0.885 63.458 63.200 -1.045 0.000 0.983 86 S HN 0.694 nan 8.310 nan 0.000 0.495 87 S N 2.792 118.329 115.700 -0.272 0.000 2.526 87 S HA 0.607 4.696 4.470 -0.634 0.000 0.293 87 S C -0.334 174.192 174.600 -0.123 0.000 1.092 87 S CA -1.052 57.061 58.200 -0.145 0.000 0.980 87 S CB 0.485 63.643 63.200 -0.070 0.000 1.048 87 S HN 0.749 nan 8.310 nan 0.000 0.483 88 I N 2.780 123.299 120.570 -0.086 0.000 2.618 88 I HA 0.109 3.898 4.170 -0.634 0.000 0.284 88 I C 0.482 176.606 176.117 0.013 0.000 1.146 88 I CA 0.033 61.302 61.300 -0.050 0.000 1.425 88 I CB 0.307 38.268 38.000 -0.065 0.000 1.383 88 I HN 0.841 nan 8.210 nan 0.000 0.562 89 F N 7.071 126.959 119.950 -0.105 0.000 2.653 89 F HA 0.391 4.537 4.527 -0.635 0.000 0.288 89 F C 0.405 176.156 175.800 -0.081 0.000 1.121 89 F CA 0.213 58.165 58.000 -0.080 0.000 1.384 89 F CB 0.639 39.601 39.000 -0.063 0.000 1.115 89 F HN 0.210 nan 8.300 nan 0.000 0.599 90 L N 1.949 123.176 121.223 0.008 0.000 2.666 90 L HA 0.209 4.169 4.340 -0.634 0.000 0.258 90 L C -0.877 175.901 176.870 -0.153 0.000 0.991 90 L CA -0.494 54.278 54.840 -0.114 0.000 0.916 90 L CB 1.364 43.387 42.059 -0.061 0.000 1.199 90 L HN -0.016 nan 8.230 nan 0.000 0.439 91 E N 1.693 121.793 120.200 -0.167 0.000 2.467 91 E HA -0.076 3.894 4.350 -0.634 0.000 0.264 91 E C -0.054 176.419 176.600 -0.212 0.000 1.020 91 E CA 0.180 56.489 56.400 -0.152 0.000 0.945 91 E CB 0.668 30.288 29.700 -0.134 0.000 0.942 91 E HN 0.568 nan 8.360 nan 0.000 0.449 92 N N 0.544 119.178 118.700 -0.110 0.000 2.294 92 N HA -0.076 4.284 4.740 -0.634 0.000 0.275 92 N C 0.454 175.900 175.510 -0.106 0.000 1.291 92 N CA 0.369 53.396 53.050 -0.037 0.000 0.933 92 N CB 0.158 38.672 38.487 0.047 0.000 1.096 92 N HN 0.617 nan 8.380 nan 0.000 0.525 93 S N -4.671 111.017 115.700 -0.019 0.000 2.194 93 S HA -0.319 3.771 4.470 -0.634 0.000 0.225 93 S C 1.221 175.731 174.600 -0.151 0.000 1.176 93 S CA 1.770 59.935 58.200 -0.058 0.000 1.694 93 S CB -2.839 60.322 63.200 -0.064 0.000 2.249 93 S HN 0.704 nan 8.310 nan 0.000 0.601 94 T N 1.596 115.960 114.554 -0.316 0.000 3.139 94 T HA 0.228 4.198 4.350 -0.634 0.000 0.267 94 T C 0.050 174.409 174.700 -0.568 0.000 1.164 94 T CA 0.951 62.785 62.100 -0.445 0.000 1.075 94 T CB -0.634 67.882 68.868 -0.587 0.000 0.904 94 T HN 0.516 nan 8.240 nan 0.000 0.540 95 F N 2.284 122.068 119.950 -0.276 0.000 2.334 95 F HA 0.275 4.422 4.527 -0.634 0.000 0.365 95 F C 0.572 176.235 175.800 -0.229 0.000 1.124 95 F CA -1.934 55.874 58.000 -0.320 0.000 1.166 95 F CB 0.518 39.349 39.000 -0.282 0.000 1.355 95 F HN -0.022 nan 8.300 nan 0.000 0.532 96 D N 4.029 124.387 120.400 -0.069 0.000 3.060 96 D HA -0.025 4.234 4.640 -0.634 0.000 0.245 96 D C 0.476 176.724 176.300 -0.086 0.000 1.274 96 D CA 0.199 54.156 54.000 -0.072 0.000 0.864 96 D CB 0.090 40.842 40.800 -0.079 0.000 1.073 96 D HN 0.568 nan 8.370 nan 0.000 0.473 97 E N 0.129 120.282 120.200 -0.079 0.000 2.068 97 E HA -0.251 3.718 4.350 -0.634 0.000 0.192 97 E C -0.270 176.246 176.600 -0.141 0.000 1.358 97 E CA 0.407 56.744 56.400 -0.105 0.000 0.696 97 E CB -2.055 27.593 29.700 -0.088 0.000 1.065 97 E HN 0.545 nan 8.360 nan 0.000 0.327 98 L N 0.573 121.661 121.223 -0.224 0.000 2.745 98 L HA 0.035 3.994 4.340 -0.634 0.000 0.273 98 L C 1.980 178.665 176.870 -0.309 0.000 1.156 98 L CA 1.131 55.779 54.840 -0.320 0.000 0.982 98 L CB -0.596 41.144 42.059 -0.531 0.000 1.295 98 L HN 0.680 nan 8.230 nan 0.000 0.483 99 G N 2.522 111.275 108.800 -0.079 0.000 5.431 99 G HA2 -0.381 3.198 3.960 -0.634 0.000 0.322 99 G HA3 -0.381 3.198 3.960 -0.634 0.000 0.322 99 G C 0.260 175.221 174.900 0.102 0.000 1.370 99 G CA 0.795 45.976 45.100 0.135 0.000 0.963 99 G HN 0.500 nan 8.290 nan 0.000 0.797 100 Y N 0.296 120.617 120.300 0.034 0.000 2.502 100 Y HA 0.736 4.906 4.550 -0.634 0.000 0.106 100 Y C 1.130 177.007 175.900 -0.039 0.000 0.968 100 Y CA 0.514 58.629 58.100 0.024 0.000 1.766 100 Y CB 0.230 38.739 38.460 0.082 0.000 1.112 100 Y HN 0.647 nan 8.280 nan 0.000 0.272 101 S N -0.293 115.526 115.700 0.198 0.000 2.594 101 S HA 0.392 4.481 4.470 -0.634 0.000 0.296 101 S C -1.210 173.390 174.600 0.001 0.000 1.124 101 S CA -0.626 57.581 58.200 0.011 0.000 1.011 101 S CB 0.732 63.920 63.200 -0.020 0.000 1.016 101 S HN 0.347 nan 8.310 nan 0.000 0.485 102 T N 5.409 119.893 114.554 -0.117 0.000 2.765 102 T HA 0.065 4.034 4.350 -0.634 0.000 0.284 102 T C 1.419 176.069 174.700 -0.084 0.000 0.946 102 T CA -0.078 61.984 62.100 -0.063 0.000 1.185 102 T CB -0.267 68.481 68.868 -0.200 0.000 0.887 102 T HN 0.746 nan 8.240 nan 0.000 0.532 103 N N 2.450 121.153 118.700 0.005 0.000 2.270 103 N HA 0.070 4.429 4.740 -0.634 0.000 0.198 103 N C -0.324 175.196 175.510 0.017 0.000 1.117 103 N CA -0.133 52.891 53.050 -0.043 0.000 0.845 103 N CB 0.518 38.934 38.487 -0.118 0.000 0.980 103 N HN 0.569 nan 8.380 nan 0.000 0.486 104 D N -0.516 119.960 120.400 0.127 0.000 2.842 104 D HA 0.208 4.467 4.640 -0.634 0.000 0.248 104 D C -1.821 174.695 176.300 0.361 0.000 1.140 104 D CA -0.633 53.477 54.000 0.183 0.000 0.728 104 D CB 0.612 41.486 40.800 0.123 0.000 1.595 104 D HN 0.144 nan 8.370 nan 0.000 0.450 105 Y N -0.019 120.456 120.300 0.291 0.000 2.576 105 Y HA 0.848 5.018 4.550 -0.634 0.000 0.346 105 Y C -1.110 174.971 175.900 0.302 0.000 1.018 105 Y CA -1.018 57.304 58.100 0.369 0.000 1.050 105 Y CB 2.158 40.891 38.460 0.455 0.000 1.280 105 Y HN 0.221 nan 8.280 nan 0.000 0.474 106 S N 2.098 118.046 115.700 0.412 0.000 2.720 106 S HA 0.579 4.668 4.470 -0.634 0.000 0.278 106 S C -1.937 173.015 174.600 0.586 0.000 1.172 106 S CA -0.603 57.828 58.200 0.384 0.000 1.019 106 S CB 0.744 64.142 63.200 0.330 0.000 1.049 106 S HN 0.722 nan 8.310 nan 0.000 0.483 107 V N 5.284 125.443 119.914 0.408 0.000 2.432 107 V HA 0.435 4.174 4.120 -0.634 0.000 0.275 107 V C 0.810 176.789 176.094 -0.193 0.000 1.043 107 V CA -0.566 61.857 62.300 0.206 0.000 0.925 107 V CB 1.220 33.150 31.823 0.177 0.000 0.985 107 V HN 1.023 nan 8.190 nan 0.000 0.466 108 S N 7.054 122.276 115.700 -0.797 0.000 2.558 108 S HA 0.088 4.177 4.470 -0.634 0.000 0.287 108 S C -1.081 173.252 174.600 -0.445 0.000 1.321 108 S CA -0.525 56.888 58.200 -1.313 0.000 1.048 108 S CB 0.466 62.770 63.200 -1.493 0.000 0.844 108 S HN 0.669 nan 8.310 nan 0.000 0.512 109 P HA -0.179 nan 4.420 nan 0.000 0.216 109 P C 0.710 177.968 177.300 -0.069 0.000 1.150 109 P CA 1.717 64.754 63.100 -0.105 0.000 0.843 109 P CB -0.302 31.360 31.700 -0.064 0.000 0.787 110 D N -0.985 119.368 120.400 -0.079 0.000 2.336 110 D HA -0.074 4.186 4.640 -0.634 0.000 0.229 110 D C 0.621 176.915 176.300 -0.010 0.000 1.061 110 D CA -0.165 53.825 54.000 -0.016 0.000 0.875 110 D CB -0.795 40.026 40.800 0.035 0.000 0.904 110 D HN 0.060 nan 8.370 nan 0.000 0.525 111 R N -1.133 119.351 120.500 -0.026 0.000 3.946 111 R HA -0.259 3.700 4.340 -0.634 0.000 0.329 111 R C 1.030 177.320 176.300 -0.017 0.000 1.209 111 R CA 1.264 57.403 56.100 0.064 0.000 0.909 111 R CB -2.394 28.006 30.300 0.166 0.000 1.355 111 R HN 0.350 nan 8.270 nan 0.000 0.539 112 Q N -0.952 118.763 119.800 -0.141 0.000 2.354 112 Q HA 0.142 4.101 4.340 -0.634 0.000 0.203 112 Q C -0.081 175.462 176.000 -0.761 0.000 0.933 112 Q CA 0.825 56.375 55.803 -0.421 0.000 0.901 112 Q CB 0.374 28.853 28.738 -0.431 0.000 1.007 112 Q HN 0.221 nan 8.270 nan 0.000 0.495 113 F N -0.958 118.866 119.950 -0.211 0.000 2.650 113 F HA 0.561 4.707 4.527 -0.634 0.000 0.320 113 F C -0.685 175.105 175.800 -0.016 0.000 1.091 113 F CA -1.182 56.748 58.000 -0.117 0.000 0.962 113 F CB 1.731 40.679 39.000 -0.087 0.000 1.363 113 F HN -0.249 nan 8.300 nan 0.000 0.482 114 I N 1.975 122.756 120.570 0.351 0.000 2.644 114 I HA 0.407 4.196 4.170 -0.634 0.000 0.291 114 I C -1.809 174.383 176.117 0.126 0.000 1.180 114 I CA -0.504 60.957 61.300 0.268 0.000 1.040 114 I CB 1.525 39.589 38.000 0.106 0.000 1.255 114 I HN 0.414 nan 8.210 nan 0.000 0.422 115 L N 7.284 128.702 121.223 0.326 0.000 2.312 115 L HA 0.440 4.399 4.340 -0.634 0.000 0.281 115 L C -1.078 175.915 176.870 0.206 0.000 1.070 115 L CA -0.298 54.653 54.840 0.185 0.000 0.805 115 L CB 1.027 43.168 42.059 0.136 0.000 1.174 115 L HN 0.481 nan 8.230 nan 0.000 0.434 116 F N 1.850 122.053 119.950 0.422 0.000 2.402 116 F HA 0.304 4.450 4.527 -0.635 0.000 0.355 116 F C 0.385 176.412 175.800 0.378 0.000 1.123 116 F CA -0.724 57.517 58.000 0.402 0.000 1.021 116 F CB 1.595 40.802 39.000 0.345 0.000 1.160 116 F HN 0.478 nan 8.300 nan 0.000 0.451 117 E N 5.240 125.717 120.200 0.462 0.000 2.156 117 E HA 0.379 4.348 4.350 -0.634 0.000 0.279 117 E C -1.546 175.130 176.600 0.127 0.000 0.965 117 E CA -0.495 55.930 56.400 0.041 0.000 0.789 117 E CB 1.104 30.874 29.700 0.116 0.000 1.098 117 E HN 0.591 nan 8.360 nan 0.000 0.397 118 Y N 1.696 121.886 120.300 -0.184 0.000 2.744 118 Y HA 0.441 4.611 4.550 -0.634 0.000 0.330 118 Y C -0.160 175.656 175.900 -0.140 0.000 1.263 118 Y CA -1.559 56.486 58.100 -0.093 0.000 1.065 118 Y CB 0.423 38.873 38.460 -0.016 0.000 1.306 118 Y HN 0.627 nan 8.280 nan 0.000 0.459 119 N N -0.808 117.835 118.700 -0.096 0.000 2.776 119 N HA -0.290 4.070 4.740 -0.634 0.000 0.249 119 N C -1.206 174.155 175.510 -0.248 0.000 1.111 119 N CA 0.805 53.668 53.050 -0.313 0.000 0.711 119 N CB -1.494 36.736 38.487 -0.427 0.000 1.065 119 N HN 0.808 nan 8.380 nan 0.000 0.556 120 Y N -0.056 120.074 120.300 -0.283 0.000 2.721 120 Y HA 0.269 4.437 4.550 -0.636 0.000 0.329 120 Y C 0.032 175.822 175.900 -0.184 0.000 1.211 120 Y CA 0.168 58.128 58.100 -0.234 0.000 1.512 120 Y CB 0.531 38.822 38.460 -0.281 0.000 1.249 120 Y HN -0.041 nan 8.280 nan 0.000 0.549 121 V N 8.126 127.845 119.914 -0.326 0.000 2.419 121 V HA 0.177 3.916 4.120 -0.634 0.000 0.287 121 V C -0.212 175.707 176.094 -0.292 0.000 1.017 121 V CA -1.337 60.850 62.300 -0.189 0.000 0.844 121 V CB 1.212 32.939 31.823 -0.159 0.000 1.011 121 V HN 0.725 nan 8.190 nan 0.000 0.429 122 K N 3.632 123.966 120.400 -0.110 0.000 2.414 122 K HA 0.206 4.146 4.320 -0.634 0.000 0.272 122 K C 0.385 176.883 176.600 -0.170 0.000 0.993 122 K CA 0.300 56.554 56.287 -0.054 0.000 0.964 122 K CB 1.172 33.779 32.500 0.178 0.000 0.925 122 K HN 0.809 nan 8.250 nan 0.000 0.487 123 Q N 2.391 122.037 119.800 -0.256 0.000 2.489 123 Q HA 0.186 4.145 4.340 -0.634 0.000 0.202 123 Q C -0.096 175.674 176.000 -0.383 0.000 0.853 123 Q CA -0.489 54.951 55.803 -0.606 0.000 0.539 123 Q CB 0.194 28.383 28.738 -0.915 0.000 3.308 123 Q HN 0.731 nan 8.270 nan 0.000 0.362 124 W N 0.311 121.593 121.300 -0.029 0.000 1.836 124 W HA 0.343 4.619 4.660 -0.639 0.000 0.628 124 W C 1.779 178.281 176.519 -0.028 0.000 1.626 124 W CA -0.431 56.928 57.345 0.023 0.000 1.714 124 W CB -0.181 29.261 29.460 -0.030 0.000 3.166 124 W HN 0.358 nan 8.180 nan 0.000 0.772 125 R N -0.557 120.041 120.500 0.163 0.000 2.081 125 R HA -0.157 3.802 4.340 -0.634 0.000 0.235 125 R C 1.722 177.865 176.300 -0.262 0.000 1.131 125 R CA 2.080 58.100 56.100 -0.132 0.000 0.960 125 R CB -0.529 29.553 30.300 -0.363 0.000 0.856 125 R HN 0.464 nan 8.270 nan 0.000 0.436 126 H N -1.033 118.105 119.070 0.113 0.000 2.788 126 H HA 0.229 4.405 4.556 -0.632 0.000 0.262 126 H C 0.423 175.826 175.328 0.124 0.000 0.968 126 H CA 0.547 56.682 56.048 0.145 0.000 1.218 126 H CB 0.172 29.999 29.762 0.109 0.000 1.443 126 H HN 0.242 nan 8.280 nan 0.000 0.478 127 S N 1.251 116.922 115.700 -0.048 0.000 2.592 127 S HA 0.394 4.483 4.470 -0.634 0.000 0.271 127 S C -0.292 174.129 174.600 -0.298 0.000 1.326 127 S CA -0.460 57.397 58.200 -0.572 0.000 1.024 127 S CB 0.813 63.067 63.200 -1.576 0.000 0.921 127 S HN 0.444 nan 8.310 nan 0.000 0.527 128 Y N -2.318 117.768 120.300 -0.358 0.000 2.774 128 Y HA 0.670 4.838 4.550 -0.636 0.000 0.346 128 Y C -0.809 174.969 175.900 -0.203 0.000 1.222 128 Y CA -0.873 56.985 58.100 -0.404 0.000 1.088 128 Y CB 0.509 38.518 38.460 -0.753 0.000 1.354 128 Y HN 0.902 nan 8.280 nan 0.000 0.455 129 T N -0.216 114.320 114.554 -0.029 0.000 2.924 129 T HA 1.017 4.987 4.350 -0.634 0.000 0.291 129 T C -0.584 174.137 174.700 0.035 0.000 1.045 129 T CA -0.158 61.960 62.100 0.029 0.000 1.015 129 T CB 1.812 70.672 68.868 -0.014 0.000 1.103 129 T HN 1.888 nan 8.240 nan 0.000 0.496 130 A N 0.836 123.672 122.820 0.026 0.000 2.581 130 A HA 0.796 4.736 4.320 -0.634 0.000 0.290 130 A C -0.548 176.815 177.584 -0.368 0.000 1.119 130 A CA -0.932 50.974 52.037 -0.218 0.000 0.670 130 A CB 1.195 20.036 19.000 -0.264 0.000 1.280 130 A HN 0.844 nan 8.150 nan 0.000 0.425 131 S N -0.770 114.497 115.700 -0.721 0.000 2.608 131 S HA 0.796 4.885 4.470 -0.634 0.000 0.291 131 S C -1.588 172.419 174.600 -0.987 0.000 1.146 131 S CA -0.032 57.726 58.200 -0.738 0.000 1.043 131 S CB 0.603 63.226 63.200 -0.962 0.000 1.037 131 S HN 0.434 nan 8.310 nan 0.000 0.520 132 Y N 0.372 120.525 120.300 -0.245 0.000 2.457 132 Y HA 0.398 4.567 4.550 -0.635 0.000 0.343 132 Y C -0.403 175.587 175.900 0.151 0.000 0.994 132 Y CA -0.957 57.135 58.100 -0.013 0.000 1.031 132 Y CB 1.612 39.998 38.460 -0.124 0.000 1.246 132 Y HN 0.478 nan 8.280 nan 0.000 0.449 133 D N 3.251 123.944 120.400 0.488 0.000 2.256 133 D HA 0.526 4.785 4.640 -0.634 0.000 0.246 133 D C -0.722 175.761 176.300 0.305 0.000 1.042 133 D CA -0.255 53.989 54.000 0.407 0.000 0.841 133 D CB 2.280 43.382 40.800 0.504 0.000 1.223 133 D HN 0.414 nan 8.370 nan 0.000 0.470 134 I N 2.262 122.964 120.570 0.219 0.000 2.354 134 I HA 0.235 4.024 4.170 -0.634 0.000 0.292 134 I C -0.825 175.461 176.117 0.282 0.000 0.989 134 I CA -0.953 60.464 61.300 0.195 0.000 1.188 134 I CB 1.231 39.297 38.000 0.110 0.000 1.342 134 I HN 0.221 nan 8.210 nan 0.000 0.457 135 Y N 5.540 125.896 120.300 0.094 0.000 2.352 135 Y HA 0.296 4.466 4.550 -0.634 0.000 0.339 135 Y C -0.202 175.788 175.900 0.151 0.000 0.992 135 Y CA -0.719 57.443 58.100 0.103 0.000 1.100 135 Y CB 1.274 39.742 38.460 0.013 0.000 1.192 135 Y HN 0.486 nan 8.280 nan 0.000 0.458 136 D N 6.188 126.415 120.400 -0.287 0.000 2.339 136 D HA 0.096 4.356 4.640 -0.634 0.000 0.241 136 D C 0.681 176.618 176.300 -0.604 0.000 1.183 136 D CA 0.257 54.002 54.000 -0.426 0.000 0.859 136 D CB 1.045 41.659 40.800 -0.310 0.000 1.067 136 D HN 0.870 nan 8.370 nan 0.000 0.484 137 L N 3.684 124.611 121.223 -0.493 0.000 2.217 137 L HA -0.122 3.838 4.340 -0.634 0.000 0.211 137 L C 2.087 178.743 176.870 -0.357 0.000 1.107 137 L CA 0.419 55.056 54.840 -0.337 0.000 0.783 137 L CB -0.241 41.634 42.059 -0.306 0.000 0.919 137 L HN 0.400 nan 8.230 nan 0.000 0.442 138 N N 0.917 119.362 118.700 -0.424 0.000 2.054 138 N HA -0.148 4.212 4.740 -0.634 0.000 0.193 138 N C 1.552 176.904 175.510 -0.263 0.000 1.066 138 N CA 1.207 54.069 53.050 -0.313 0.000 0.853 138 N CB -0.308 37.988 38.487 -0.317 0.000 1.048 138 N HN 0.264 nan 8.380 nan 0.000 0.431 139 K N 1.023 121.260 120.400 -0.272 0.000 2.442 139 K HA 0.040 3.979 4.320 -0.634 0.000 0.198 139 K C -0.096 176.351 176.600 -0.254 0.000 1.044 139 K CA 0.160 56.316 56.287 -0.218 0.000 0.948 139 K CB -0.028 32.360 32.500 -0.187 0.000 0.762 139 K HN 0.223 nan 8.250 nan 0.000 0.472 140 R N 1.233 121.514 120.500 -0.366 0.000 3.251 140 R HA -0.212 3.747 4.340 -0.634 0.000 0.249 140 R C -0.795 175.203 176.300 -0.504 0.000 0.949 140 R CA 0.640 56.477 56.100 -0.438 0.000 0.645 140 R CB -1.919 28.301 30.300 -0.133 0.000 1.065 140 R HN 0.443 nan 8.270 nan 0.000 0.452 141 Q N -0.048 119.358 119.800 -0.656 0.000 2.433 141 Q HA 0.547 4.506 4.340 -0.634 0.000 0.279 141 Q C -0.464 175.291 176.000 -0.407 0.000 1.105 141 Q CA -1.031 54.551 55.803 -0.369 0.000 0.815 141 Q CB 2.425 31.054 28.738 -0.181 0.000 1.403 141 Q HN 0.196 nan 8.270 nan 0.000 0.435 142 L N 1.913 123.109 121.223 -0.044 0.000 2.350 142 L HA 0.326 4.285 4.340 -0.634 0.000 0.275 142 L C -0.770 176.147 176.870 0.079 0.000 1.099 142 L CA -0.765 54.165 54.840 0.149 0.000 0.808 142 L CB 0.675 42.871 42.059 0.229 0.000 1.149 142 L HN 0.566 nan 8.230 nan 0.000 0.442 143 I N 2.928 123.566 120.570 0.114 0.000 2.471 143 I HA 0.017 3.807 4.170 -0.634 0.000 0.286 143 I C 1.314 177.473 176.117 0.069 0.000 1.079 143 I CA 0.576 61.922 61.300 0.078 0.000 1.398 143 I CB 1.494 39.538 38.000 0.073 0.000 1.403 143 I HN 0.675 nan 8.210 nan 0.000 0.530 144 T N 1.594 116.174 114.554 0.043 0.000 2.985 144 T HA 0.222 4.192 4.350 -0.634 0.000 0.254 144 T C 0.368 175.078 174.700 0.017 0.000 1.021 144 T CA -0.294 61.828 62.100 0.037 0.000 0.957 144 T CB 0.039 68.927 68.868 0.032 0.000 1.047 144 T HN 0.519 nan 8.240 nan 0.000 0.511 145 E N 1.351 121.556 120.200 0.008 0.000 2.235 145 E HA 0.332 4.301 4.350 -0.634 0.000 0.265 145 E C -0.650 175.938 176.600 -0.020 0.000 0.940 145 E CA -0.679 55.718 56.400 -0.005 0.000 0.819 145 E CB 0.925 30.624 29.700 -0.002 0.000 1.206 145 E HN 0.048 nan 8.360 nan 0.000 0.409 146 E N 0.403 120.583 120.200 -0.034 0.000 2.297 146 E HA -0.223 3.746 4.350 -0.634 0.000 0.228 146 E C -0.593 175.961 176.600 -0.077 0.000 1.213 146 E CA 0.671 57.040 56.400 -0.052 0.000 0.712 146 E CB -1.558 28.123 29.700 -0.032 0.000 1.202 146 E HN 0.531 nan 8.360 nan 0.000 0.376 147 R N 0.072 120.520 120.500 -0.086 0.000 2.774 147 R HA 0.272 4.231 4.340 -0.634 0.000 0.269 147 R C 1.158 177.334 176.300 -0.206 0.000 1.068 147 R CA -0.582 55.457 56.100 -0.101 0.000 1.180 147 R CB 0.495 30.762 30.300 -0.056 0.000 1.077 147 R HN 0.027 nan 8.270 nan 0.000 0.513 148 I N 2.967 123.392 120.570 -0.242 0.000 2.556 148 I HA 0.092 3.882 4.170 -0.634 0.000 0.284 148 I C -1.744 174.139 176.117 -0.390 0.000 1.114 148 I CA -2.510 58.515 61.300 -0.457 0.000 1.418 148 I CB 0.037 37.791 38.000 -0.412 0.000 1.394 148 I HN 0.365 nan 8.210 nan 0.000 0.552 149 P HA 0.017 nan 4.420 nan 0.000 0.269 149 P C 0.002 177.169 177.300 -0.222 0.000 1.217 149 P CA -0.166 62.620 63.100 -0.524 0.000 0.783 149 P CB 0.488 31.495 31.700 -1.155 0.000 0.898 150 N N 2.354 121.001 118.700 -0.090 0.000 2.525 150 N HA -0.007 4.353 4.740 -0.634 0.000 0.271 150 N C -0.257 175.361 175.510 0.180 0.000 1.194 150 N CA -0.167 52.893 53.050 0.017 0.000 0.964 150 N CB -0.009 38.500 38.487 0.036 0.000 1.126 150 N HN 0.372 nan 8.380 nan 0.000 0.452 151 N N 0.728 119.490 118.700 0.103 0.000 2.815 151 N HA -0.130 4.229 4.740 -0.634 0.000 0.248 151 N C -1.088 174.565 175.510 0.238 0.000 1.110 151 N CA 0.568 53.698 53.050 0.132 0.000 0.699 151 N CB -1.795 36.772 38.487 0.134 0.000 1.040 151 N HN 0.504 nan 8.380 nan 0.000 0.555 152 T N 0.952 115.653 114.554 0.245 0.000 2.814 152 T HA 0.132 4.101 4.350 -0.634 0.000 0.297 152 T C 1.744 176.585 174.700 0.237 0.000 0.956 152 T CA -0.029 62.245 62.100 0.291 0.000 1.123 152 T CB 1.250 70.226 68.868 0.180 0.000 0.902 152 T HN 0.158 nan 8.240 nan 0.000 0.528 153 Q N 2.254 122.185 119.800 0.219 0.000 2.137 153 Q HA 0.088 4.047 4.340 -0.634 0.000 0.198 153 Q C 0.300 176.442 176.000 0.236 0.000 0.960 153 Q CA 0.701 56.641 55.803 0.227 0.000 0.847 153 Q CB 0.579 29.418 28.738 0.168 0.000 0.915 153 Q HN 0.697 nan 8.270 nan 0.000 0.448 154 W N -0.317 120.942 121.300 -0.069 0.000 3.571 154 W HA 0.568 4.847 4.660 -0.635 0.000 0.294 154 W C -2.274 174.168 176.519 -0.129 0.000 1.257 154 W CA -0.805 56.457 57.345 -0.140 0.000 1.206 154 W CB 1.252 30.569 29.460 -0.238 0.000 1.325 154 W HN -0.073 nan 8.180 nan 0.000 0.546 155 I N 4.112 124.011 120.570 -1.117 0.000 2.752 155 I HA 0.615 4.404 4.170 -0.634 0.000 0.295 155 I C -1.536 173.998 176.117 -0.971 0.000 1.219 155 I CA -0.027 60.762 61.300 -0.852 0.000 1.030 155 I CB 2.562 39.965 38.000 -0.996 0.000 1.259 155 I HN 0.337 nan 8.210 nan 0.000 0.423 156 T N 4.716 118.993 114.554 -0.462 0.000 3.012 156 T HA 0.427 4.397 4.350 -0.634 0.000 0.330 156 T C -1.702 172.997 174.700 -0.002 0.000 1.321 156 T CA -0.296 61.687 62.100 -0.195 0.000 1.067 156 T CB 0.637 69.608 68.868 0.171 0.000 1.235 156 T HN 0.547 nan 8.240 nan 0.000 0.479 157 W N 2.940 124.269 121.300 0.049 0.000 2.161 157 W HA 0.477 4.756 4.660 -0.633 0.000 0.344 157 W C 1.284 177.663 176.519 -0.234 0.000 1.262 157 W CA -0.671 56.649 57.345 -0.042 0.000 1.270 157 W CB 0.741 30.183 29.460 -0.030 0.000 1.126 157 W HN 0.815 nan 8.180 nan 0.000 0.598 158 S N 1.224 116.694 115.700 -0.383 0.000 2.617 158 S HA 0.162 4.251 4.470 -0.634 0.000 0.259 158 S C -1.930 172.457 174.600 -0.354 0.000 1.301 158 S CA -0.926 56.582 58.200 -1.153 0.000 0.984 158 S CB 0.618 62.962 63.200 -1.428 0.000 0.954 158 S HN 0.270 nan 8.310 nan 0.000 0.572 159 P HA 0.077 nan 4.420 nan 0.000 0.221 159 P C 0.171 177.427 177.300 -0.073 0.000 1.150 159 P CA 0.628 63.696 63.100 -0.055 0.000 0.800 159 P CB -0.097 31.604 31.700 0.001 0.000 0.787 160 V N -6.555 113.269 119.914 -0.151 0.000 3.102 160 V HA 0.888 4.627 4.120 -0.634 0.000 0.312 160 V C 0.606 176.587 176.094 -0.189 0.000 1.135 160 V CA -0.367 61.857 62.300 -0.126 0.000 1.022 160 V CB 0.921 32.681 31.823 -0.105 0.000 1.056 160 V HN 0.387 nan 8.190 nan 0.000 0.436 161 G N 1.865 110.570 108.800 -0.158 0.000 2.550 161 G HA2 -0.210 3.369 3.960 -0.634 0.000 0.277 161 G HA3 -0.210 3.369 3.960 -0.634 0.000 0.277 161 G C 0.279 175.057 174.900 -0.203 0.000 1.190 161 G CA 0.939 45.904 45.100 -0.225 0.000 0.971 161 G HN 2.563 nan 8.290 nan 0.000 0.559 162 H N -0.641 118.366 119.070 -0.105 0.000 3.233 162 H HA 0.400 4.575 4.556 -0.635 0.000 0.232 162 H C 0.260 175.674 175.328 0.143 0.000 1.322 162 H CA -0.109 55.892 56.048 -0.078 0.000 1.043 162 H CB -0.340 29.365 29.762 -0.095 0.000 2.572 162 H HN 0.537 nan 8.280 nan 0.000 0.597 163 K N 1.523 121.897 120.400 -0.043 0.000 2.180 163 K HA 0.497 4.436 4.320 -0.634 0.000 0.251 163 K C -0.344 176.353 176.600 0.162 0.000 1.014 163 K CA -0.367 55.914 56.287 -0.009 0.000 0.913 163 K CB 1.518 33.841 32.500 -0.294 0.000 1.008 163 K HN 0.126 nan 8.250 nan 0.000 0.490 164 L N 0.795 122.144 121.223 0.209 0.000 2.401 164 L HA 0.574 4.533 4.340 -0.634 0.000 0.266 164 L C -1.024 176.062 176.870 0.360 0.000 0.991 164 L CA -0.852 54.082 54.840 0.157 0.000 0.818 164 L CB 2.171 44.166 42.059 -0.107 0.000 1.321 164 L HN 0.704 nan 8.230 nan 0.000 0.413 165 A N 2.554 125.594 122.820 0.367 0.000 2.356 165 A HA 0.830 4.769 4.320 -0.634 0.000 0.310 165 A C -1.605 176.031 177.584 0.086 0.000 1.075 165 A CA -0.379 51.756 52.037 0.163 0.000 0.746 165 A CB 1.188 20.172 19.000 -0.027 0.000 1.221 165 A HN 0.651 nan 8.150 nan 0.000 0.443 166 Y N -0.463 119.810 120.300 -0.045 0.000 2.615 166 Y HA 0.771 4.940 4.550 -0.635 0.000 0.341 166 Y C -1.252 174.677 175.900 0.048 0.000 1.089 166 Y CA -1.600 56.458 58.100 -0.070 0.000 1.049 166 Y CB 1.063 39.419 38.460 -0.173 0.000 1.296 166 Y HN 0.405 nan 8.280 nan 0.000 0.470 167 V N 2.000 122.074 119.914 0.265 0.000 2.459 167 V HA 0.393 4.133 4.120 -0.634 0.000 0.295 167 V C -1.445 174.886 176.094 0.395 0.000 1.029 167 V CA -0.595 61.832 62.300 0.211 0.000 0.874 167 V CB 1.339 33.203 31.823 0.068 0.000 0.985 167 V HN 0.870 nan 8.190 nan 0.000 0.438 168 W N 4.785 126.198 121.300 0.187 0.000 3.211 168 W HA 0.448 4.729 4.660 -0.632 0.000 0.335 168 W C 0.266 176.848 176.519 0.106 0.000 1.113 168 W CA -0.727 56.700 57.345 0.137 0.000 1.235 168 W CB 1.229 30.741 29.460 0.088 0.000 1.365 168 W HN 0.788 nan 8.180 nan 0.000 0.476 169 N N 5.399 123.711 118.700 -0.647 0.000 2.721 169 N HA -0.359 4.000 4.740 -0.634 0.000 0.249 169 N C 0.229 175.581 175.510 -0.264 0.000 1.072 169 N CA 1.082 53.761 53.050 -0.619 0.000 0.710 169 N CB -1.110 36.767 38.487 -1.017 0.000 0.993 169 N HN 0.856 nan 8.380 nan 0.000 0.547 170 N N -1.868 116.743 118.700 -0.148 0.000 2.828 170 N HA -0.172 4.187 4.740 -0.634 0.000 0.248 170 N C -1.307 174.144 175.510 -0.098 0.000 1.044 170 N CA 1.074 54.063 53.050 -0.101 0.000 0.851 170 N CB -0.264 38.115 38.487 -0.181 0.000 1.136 170 N HN 0.414 nan 8.380 nan 0.000 0.572 171 D N 0.342 120.698 120.400 -0.074 0.000 2.433 171 D HA 0.495 4.754 4.640 -0.634 0.000 0.236 171 D C 0.058 176.202 176.300 -0.261 0.000 1.026 171 D CA -0.362 53.509 54.000 -0.216 0.000 0.884 171 D CB 1.624 42.251 40.800 -0.288 0.000 1.384 171 D HN 0.029 nan 8.370 nan 0.000 0.477 172 I N 1.464 121.702 120.570 -0.553 0.000 2.440 172 I HA 0.268 4.057 4.170 -0.634 0.000 0.294 172 I C -0.718 174.870 176.117 -0.881 0.000 0.995 172 I CA -0.488 60.470 61.300 -0.571 0.000 1.306 172 I CB 0.653 38.263 38.000 -0.651 0.000 1.407 172 I HN 0.162 nan 8.210 nan 0.000 0.501 173 Y N 3.810 123.717 120.300 -0.654 0.000 2.512 173 Y HA 0.628 4.797 4.550 -0.635 0.000 0.348 173 Y C -0.415 175.125 175.900 -0.600 0.000 0.990 173 Y CA -0.919 56.746 58.100 -0.725 0.000 1.033 173 Y CB 2.088 39.859 38.460 -1.148 0.000 1.259 173 Y HN 0.109 nan 8.280 nan 0.000 0.461 174 V N 2.849 122.647 119.914 -0.193 0.000 2.656 174 V HA 0.481 4.221 4.120 -0.634 0.000 0.307 174 V C -0.846 175.284 176.094 0.061 0.000 1.051 174 V CA -1.357 60.926 62.300 -0.028 0.000 0.893 174 V CB 2.054 33.884 31.823 0.011 0.000 0.999 174 V HN 0.619 nan 8.190 nan 0.000 0.426 175 K N 3.086 123.567 120.400 0.135 0.000 2.483 175 K HA 0.435 4.374 4.320 -0.634 0.000 0.256 175 K C 0.547 177.220 176.600 0.122 0.000 0.961 175 K CA -0.292 56.066 56.287 0.119 0.000 0.873 175 K CB 1.389 33.959 32.500 0.116 0.000 1.107 175 K HN 0.647 nan 8.250 nan 0.000 0.432 176 N N 1.296 120.055 118.700 0.099 0.000 2.188 176 N HA -0.095 4.264 4.740 -0.634 0.000 0.184 176 N C -0.283 175.293 175.510 0.110 0.000 1.018 176 N CA 0.866 53.966 53.050 0.084 0.000 0.858 176 N CB 0.368 38.892 38.487 0.061 0.000 0.989 176 N HN 0.419 nan 8.380 nan 0.000 0.426 177 E N -0.858 119.397 120.200 0.091 0.000 2.293 177 E HA 0.194 4.164 4.350 -0.634 0.000 0.270 177 E C -1.961 174.609 176.600 -0.050 0.000 0.879 177 E CA -1.938 54.504 56.400 0.069 0.000 0.756 177 E CB 1.964 31.708 29.700 0.073 0.000 1.208 177 E HN -0.147 nan 8.360 nan 0.000 0.428 178 P HA -0.166 nan 4.420 nan 0.000 0.216 178 P C 0.946 178.173 177.300 -0.122 0.000 1.150 178 P CA 1.336 64.276 63.100 -0.267 0.000 0.843 178 P CB 0.298 31.610 31.700 -0.648 0.000 0.787 179 N N -1.174 117.477 118.700 -0.080 0.000 2.467 179 N HA -0.045 4.315 4.740 -0.634 0.000 0.184 179 N C 0.325 175.830 175.510 -0.007 0.000 1.106 179 N CA 0.541 53.579 53.050 -0.020 0.000 0.892 179 N CB -0.335 38.160 38.487 0.013 0.000 0.969 179 N HN 0.109 nan 8.380 nan 0.000 0.454 180 L N 2.027 123.247 121.223 -0.004 0.000 2.360 180 L HA 0.244 4.203 4.340 -0.634 0.000 0.271 180 L C 0.626 177.504 176.870 0.013 0.000 1.057 180 L CA -0.299 54.549 54.840 0.013 0.000 0.803 180 L CB 1.647 43.723 42.059 0.028 0.000 1.207 180 L HN 0.182 nan 8.230 nan 0.000 0.445 181 S N 1.187 116.897 115.700 0.017 0.000 2.568 181 S HA 0.156 4.245 4.470 -0.634 0.000 0.282 181 S C 0.311 174.934 174.600 0.039 0.000 1.338 181 S CA -0.622 57.588 58.200 0.017 0.000 1.045 181 S CB 0.556 63.766 63.200 0.018 0.000 0.873 181 S HN 0.642 nan 8.310 nan 0.000 0.516 182 S N 1.131 116.861 115.700 0.051 0.000 2.603 182 S HA 0.383 4.473 4.470 -0.634 0.000 0.268 182 S C -0.366 174.281 174.600 0.080 0.000 1.317 182 S CA -0.707 57.544 58.200 0.085 0.000 1.012 182 S CB 0.796 64.080 63.200 0.141 0.000 0.926 182 S HN 0.901 nan 8.310 nan 0.000 0.539 183 Q N 1.175 121.006 119.800 0.051 0.000 2.333 183 Q HA 0.367 4.326 4.340 -0.634 0.000 0.265 183 Q C -0.506 175.432 176.000 -0.104 0.000 0.989 183 Q CA -0.505 55.308 55.803 0.016 0.000 0.842 183 Q CB 1.208 29.957 28.738 0.017 0.000 1.262 183 Q HN 0.756 nan 8.270 nan 0.000 0.451 184 R N 4.610 124.993 120.500 -0.195 0.000 2.489 184 R HA 0.100 4.059 4.340 -0.634 0.000 0.287 184 R C 0.142 176.105 176.300 -0.561 0.000 1.053 184 R CA 0.004 55.682 56.100 -0.703 0.000 1.036 184 R CB 0.382 30.084 30.300 -0.998 0.000 0.966 184 R HN 0.787 nan 8.270 nan 0.000 0.432 185 I N 2.242 122.387 120.570 -0.707 0.000 2.927 185 I HA -0.000 3.789 4.170 -0.634 0.000 0.268 185 I C 1.000 176.862 176.117 -0.426 0.000 1.153 185 I CA 0.897 61.927 61.300 -0.451 0.000 1.459 185 I CB -0.573 37.133 38.000 -0.490 0.000 1.149 185 I HN 0.687 nan 8.210 nan 0.000 0.443 186 T N -3.764 110.387 114.554 -0.672 0.000 2.907 186 T HA 0.424 4.393 4.350 -0.634 0.000 0.292 186 T C -0.713 173.636 174.700 -0.585 0.000 1.043 186 T CA -0.492 61.348 62.100 -0.433 0.000 1.003 186 T CB 1.990 70.608 68.868 -0.417 0.000 1.084 186 T HN 0.156 nan 8.240 nan 0.000 0.483 187 W N 0.062 121.256 121.300 -0.178 0.000 2.518 187 W HA 0.244 4.523 4.660 -0.634 0.000 0.352 187 W C 1.857 178.327 176.519 -0.081 0.000 0.952 187 W CA -0.074 57.202 57.345 -0.115 0.000 1.624 187 W CB 0.009 29.418 29.460 -0.085 0.000 1.135 187 W HN 0.915 nan 8.180 nan 0.000 0.540 188 T N -2.582 112.017 114.554 0.076 0.000 3.081 188 T HA 0.264 4.234 4.350 -0.634 0.000 0.250 188 T C 1.276 175.972 174.700 -0.007 0.000 1.100 188 T CA 0.284 62.410 62.100 0.044 0.000 1.038 188 T CB -0.200 68.695 68.868 0.045 0.000 0.962 188 T HN 0.017 nan 8.240 nan 0.000 0.516 189 G N 1.337 110.104 108.800 -0.054 0.000 2.265 189 G HA2 0.334 3.913 3.960 -0.634 0.000 0.240 189 G HA3 0.334 3.913 3.960 -0.634 0.000 0.240 189 G C -0.588 174.247 174.900 -0.108 0.000 1.270 189 G CA -0.372 44.669 45.100 -0.098 0.000 0.901 189 G HN 0.600 nan 8.290 nan 0.000 0.507 190 K N 1.967 122.269 120.400 -0.162 0.000 2.589 190 K HA 0.175 4.114 4.320 -0.634 0.000 0.253 190 K C -0.250 176.208 176.600 -0.236 0.000 0.974 190 K CA -0.657 55.539 56.287 -0.152 0.000 0.835 190 K CB 1.543 33.991 32.500 -0.087 0.000 1.272 190 K HN 0.604 nan 8.250 nan 0.000 0.444 191 E N 3.420 123.499 120.200 -0.202 0.000 2.652 191 E HA -0.167 3.802 4.350 -0.634 0.000 0.255 191 E C -0.346 176.162 176.600 -0.153 0.000 0.952 191 E CA 1.132 57.414 56.400 -0.197 0.000 0.947 191 E CB 0.067 29.693 29.700 -0.123 0.000 0.912 191 E HN 0.795 nan 8.360 nan 0.000 0.489 192 N N 1.612 120.220 118.700 -0.153 0.000 2.778 192 N HA -0.260 4.099 4.740 -0.634 0.000 0.249 192 N C 0.109 175.657 175.510 0.063 0.000 1.069 192 N CA 0.509 53.595 53.050 0.060 0.000 0.831 192 N CB -0.426 38.115 38.487 0.089 0.000 1.142 192 N HN 0.274 nan 8.380 nan 0.000 0.573 193 V N -0.905 118.944 119.914 -0.108 0.000 3.442 193 V HA 0.276 4.015 4.120 -0.634 0.000 0.205 193 V C 0.195 176.322 176.094 0.055 0.000 1.320 193 V CA 0.412 62.728 62.300 0.026 0.000 1.306 193 V CB 0.733 32.556 31.823 -0.001 0.000 1.267 193 V HN 0.078 nan 8.190 nan 0.000 0.538 194 I N 1.144 121.644 120.570 -0.117 0.000 2.418 194 I HA 0.464 4.254 4.170 -0.634 0.000 0.287 194 I C -1.543 174.496 176.117 -0.130 0.000 1.008 194 I CA -0.535 60.768 61.300 0.005 0.000 1.104 194 I CB 1.159 39.167 38.000 0.014 0.000 1.264 194 I HN 0.242 nan 8.210 nan 0.000 0.438 195 Y N 4.637 125.021 120.300 0.141 0.000 2.328 195 Y HA 0.418 4.587 4.550 -0.636 0.000 0.336 195 Y C 0.366 176.342 175.900 0.126 0.000 0.960 195 Y CA -0.812 57.376 58.100 0.146 0.000 1.134 195 Y CB 1.172 39.779 38.460 0.244 0.000 1.166 195 Y HN 0.406 nan 8.280 nan 0.000 0.464 196 N N 2.045 120.831 118.700 0.144 0.000 2.446 196 N HA 0.386 4.745 4.740 -0.634 0.000 0.265 196 N C 0.792 176.289 175.510 -0.022 0.000 0.975 196 N CA 0.436 53.521 53.050 0.059 0.000 0.928 196 N CB 1.904 40.313 38.487 -0.131 0.000 1.160 196 N HN 0.973 nan 8.380 nan 0.000 0.495 197 G N 0.486 109.319 108.800 0.054 0.000 2.225 197 G HA2 -0.273 3.306 3.960 -0.634 0.000 0.254 197 G HA3 -0.273 3.306 3.960 -0.634 0.000 0.254 197 G C -0.002 174.811 174.900 -0.145 0.000 0.988 197 G CA 0.664 45.720 45.100 -0.072 0.000 0.625 197 G HN 0.707 nan 8.290 nan 0.000 0.527 198 V N -1.659 118.217 119.914 -0.063 0.000 3.007 198 V HA 0.929 4.668 4.120 -0.634 0.000 0.311 198 V C 0.375 176.483 176.094 0.022 0.000 1.120 198 V CA 0.027 62.166 62.300 -0.270 0.000 0.980 198 V CB 1.447 32.836 31.823 -0.722 0.000 1.033 198 V HN 1.170 nan 8.190 nan 0.000 0.429 199 T N 0.112 114.579 114.554 -0.144 0.000 2.828 199 T HA 0.455 4.424 4.350 -0.634 0.000 0.290 199 T C -0.078 174.327 174.700 -0.492 0.000 1.019 199 T CA -0.079 61.711 62.100 -0.518 0.000 1.031 199 T CB 0.999 69.584 68.868 -0.471 0.000 1.001 199 T HN 1.108 nan 8.240 nan 0.000 0.531 200 D N 0.101 119.957 120.400 -0.906 0.000 2.478 200 D HA 0.037 4.297 4.640 -0.634 0.000 0.269 200 D C 0.960 177.067 176.300 -0.322 0.000 1.232 200 D CA -1.095 52.368 54.000 -0.894 0.000 1.059 200 D CB 0.089 40.385 40.800 -0.839 0.000 1.104 200 D HN 0.703 nan 8.370 nan 0.000 0.566 201 W N 0.192 121.361 121.300 -0.220 0.000 2.333 201 W HA -0.213 4.072 4.660 -0.625 0.000 0.316 201 W C 2.149 178.517 176.519 -0.252 0.000 1.215 201 W CA 2.281 59.512 57.345 -0.190 0.000 1.278 201 W CB -0.496 28.808 29.460 -0.261 0.000 1.154 201 W HN 0.182 nan 8.180 nan 0.000 0.486 202 V N -0.119 119.766 119.914 -0.047 0.000 2.427 202 V HA -0.286 3.453 4.120 -0.634 0.000 0.248 202 V C 1.904 177.724 176.094 -0.456 0.000 1.051 202 V CA 1.953 64.109 62.300 -0.241 0.000 1.048 202 V CB -0.753 30.995 31.823 -0.125 0.000 0.666 202 V HN 0.286 nan 8.190 nan 0.000 0.456 203 Y N 0.617 120.586 120.300 -0.552 0.000 2.242 203 Y HA -0.171 3.998 4.550 -0.635 0.000 0.291 203 Y C 2.569 178.137 175.900 -0.554 0.000 1.137 203 Y CA 2.079 59.768 58.100 -0.685 0.000 1.181 203 Y CB -0.103 37.659 38.460 -1.164 0.000 0.989 203 Y HN 0.381 nan 8.280 nan 0.000 0.527 204 E N 0.263 120.256 120.200 -0.346 0.000 2.031 204 E HA -0.292 3.677 4.350 -0.634 0.000 0.193 204 E C 2.023 178.516 176.600 -0.179 0.000 0.994 204 E CA 1.587 57.872 56.400 -0.191 0.000 0.800 204 E CB 0.004 29.619 29.700 -0.143 0.000 0.752 204 E HN 0.424 nan 8.360 nan 0.000 0.447 205 E N 0.133 120.029 120.200 -0.508 0.000 2.076 205 E HA -0.143 3.826 4.350 -0.634 0.000 0.190 205 E C 1.669 178.134 176.600 -0.226 0.000 0.979 205 E CA 1.437 57.569 56.400 -0.447 0.000 0.807 205 E CB 0.173 29.273 29.700 -0.999 0.000 0.761 205 E HN 0.210 nan 8.360 nan 0.000 0.454 206 E N -0.702 119.327 120.200 -0.286 0.000 2.389 206 E HA 0.087 4.057 4.350 -0.634 0.000 0.199 206 E C 1.852 178.351 176.600 -0.167 0.000 0.978 206 E CA 0.454 56.758 56.400 -0.159 0.000 0.912 206 E CB 0.823 30.415 29.700 -0.180 0.000 0.907 206 E HN 0.206 nan 8.360 nan 0.000 0.494 207 V N 0.101 119.865 119.914 -0.249 0.000 2.599 207 V HA 0.016 3.755 4.120 -0.634 0.000 0.237 207 V C 1.699 177.935 176.094 0.236 0.000 1.081 207 V CA 0.779 62.992 62.300 -0.146 0.000 1.107 207 V CB -0.263 31.265 31.823 -0.492 0.000 0.808 207 V HN 0.038 nan 8.190 nan 0.000 0.486 208 F N 0.507 120.443 119.950 -0.022 0.000 2.619 208 F HA 0.299 4.446 4.527 -0.633 0.000 0.293 208 F C 1.711 177.467 175.800 -0.072 0.000 1.119 208 F CA 0.106 58.115 58.000 0.015 0.000 1.445 208 F CB -0.858 38.177 39.000 0.060 0.000 1.119 208 F HN 0.152 nan 8.300 nan 0.000 0.573 209 S N 0.206 115.951 115.700 0.075 0.000 3.614 209 S HA 0.049 4.139 4.470 -0.634 0.000 0.360 209 S C 0.051 174.312 174.600 -0.565 0.000 1.023 209 S CA 0.476 58.590 58.200 -0.144 0.000 1.114 209 S CB -1.558 61.599 63.200 -0.071 0.000 0.907 209 S HN 0.698 nan 8.310 nan 0.000 0.470 210 A N -0.508 122.170 122.820 -0.237 0.000 2.597 210 A HA 0.662 4.601 4.320 -0.634 0.000 0.292 210 A C -0.477 177.138 177.584 0.051 0.000 1.057 210 A CA -0.410 51.519 52.037 -0.179 0.000 0.674 210 A CB 0.260 19.177 19.000 -0.138 0.000 1.278 210 A HN 0.449 nan 8.150 nan 0.000 0.416 211 Y N 1.221 121.414 120.300 -0.179 0.000 2.476 211 Y HA 0.291 4.462 4.550 -0.632 0.000 0.283 211 Y C 1.432 177.108 175.900 -0.374 0.000 1.109 211 Y CA 0.848 58.834 58.100 -0.191 0.000 1.246 211 Y CB 0.134 38.515 38.460 -0.131 0.000 1.068 211 Y HN 0.703 nan 8.280 nan 0.000 0.552 212 S N 0.656 115.914 115.700 -0.737 0.000 2.564 212 S HA 0.503 4.593 4.470 -0.634 0.000 0.278 212 S C 0.239 174.459 174.600 -0.635 0.000 1.333 212 S CA 0.196 57.673 58.200 -1.205 0.000 1.048 212 S CB 0.536 62.556 63.200 -1.966 0.000 0.900 212 S HN 0.431 nan 8.310 nan 0.000 0.505 213 A N 5.457 127.879 122.820 -0.662 0.000 3.045 213 A HA 0.507 4.446 4.320 -0.634 0.000 0.244 213 A C -0.674 176.340 177.584 -0.951 0.000 0.917 213 A CA -0.451 51.220 52.037 -0.610 0.000 1.075 213 A CB 0.005 19.147 19.000 0.236 0.000 1.202 213 A HN 0.708 nan 8.150 nan 0.000 0.486 214 L N 0.471 120.973 121.223 -1.201 0.000 2.408 214 L HA 0.609 4.569 4.340 -0.634 0.000 0.268 214 L C -1.307 175.156 176.870 -0.678 0.000 0.986 214 L CA -0.511 53.959 54.840 -0.617 0.000 0.820 214 L CB 2.060 43.952 42.059 -0.279 0.000 1.303 214 L HN 0.483 nan 8.230 nan 0.000 0.411 215 W N 2.626 124.004 121.300 0.130 0.000 2.631 215 W HA 0.219 4.499 4.660 -0.635 0.000 0.321 215 W C -0.998 175.744 176.519 0.372 0.000 1.004 215 W CA -1.052 56.475 57.345 0.303 0.000 1.291 215 W CB 1.295 30.981 29.460 0.377 0.000 1.300 215 W HN 0.481 nan 8.180 nan 0.000 0.422 216 W N 2.418 123.927 121.300 0.348 0.000 2.170 216 W HA 0.198 4.478 4.660 -0.634 0.000 0.336 216 W C 1.341 177.681 176.519 -0.299 0.000 1.283 216 W CA 0.461 57.865 57.345 0.099 0.000 1.224 216 W CB 0.829 30.323 29.460 0.057 0.000 1.132 216 W HN 0.179 nan 8.180 nan 0.000 0.571 217 S N 2.317 117.770 115.700 -0.413 0.000 2.614 217 S HA 0.226 4.315 4.470 -0.634 0.000 0.265 217 S C -1.812 172.523 174.600 -0.441 0.000 1.303 217 S CA -1.082 56.319 58.200 -1.331 0.000 1.000 217 S CB 1.203 63.626 63.200 -1.295 0.000 0.935 217 S HN 0.281 nan 8.310 nan 0.000 0.551 218 P HA -0.145 nan 4.420 nan 0.000 0.218 218 P C 0.781 178.039 177.300 -0.069 0.000 1.154 218 P CA 1.372 64.430 63.100 -0.069 0.000 0.872 218 P CB -0.002 31.709 31.700 0.018 0.000 0.790 219 N N -2.294 116.347 118.700 -0.097 0.000 2.238 219 N HA 0.096 4.456 4.740 -0.634 0.000 0.222 219 N C 0.871 176.294 175.510 -0.145 0.000 1.133 219 N CA 0.689 53.679 53.050 -0.100 0.000 0.854 219 N CB 0.267 38.713 38.487 -0.069 0.000 1.041 219 N HN 0.062 nan 8.380 nan 0.000 0.510 220 G N 0.587 109.303 108.800 -0.141 0.000 2.166 220 G HA2 -0.329 3.251 3.960 -0.634 0.000 0.260 220 G HA3 -0.329 3.251 3.960 -0.634 0.000 0.260 220 G C 1.085 175.982 174.900 -0.006 0.000 0.986 220 G CA 1.258 46.291 45.100 -0.112 0.000 0.683 220 G HN 0.350 nan 8.290 nan 0.000 0.527 221 T N -0.334 114.122 114.554 -0.163 0.000 2.737 221 T HA 0.211 4.181 4.350 -0.634 0.000 0.265 221 T C 0.815 175.235 174.700 -0.466 0.000 1.038 221 T CA 1.349 63.198 62.100 -0.419 0.000 1.144 221 T CB -0.050 68.327 68.868 -0.819 0.000 0.866 221 T HN 0.320 nan 8.240 nan 0.000 0.434 222 F N 0.245 120.230 119.950 0.058 0.000 2.492 222 F HA 0.656 4.803 4.527 -0.635 0.000 0.327 222 F C -0.332 175.521 175.800 0.088 0.000 1.079 222 F CA -1.761 56.300 58.000 0.102 0.000 0.967 222 F CB 1.224 40.322 39.000 0.164 0.000 1.169 222 F HN -0.134 nan 8.300 nan 0.000 0.472 223 L N 2.650 124.005 121.223 0.219 0.000 2.342 223 L HA 0.815 4.775 4.340 -0.634 0.000 0.276 223 L C -0.618 176.346 176.870 0.157 0.000 0.997 223 L CA -0.582 54.206 54.840 -0.087 0.000 0.838 223 L CB 0.739 42.461 42.059 -0.562 0.000 1.224 223 L HN 0.690 nan 8.230 nan 0.000 0.416 224 A N 4.798 127.810 122.820 0.321 0.000 2.304 224 A HA 0.749 4.688 4.320 -0.634 0.000 0.301 224 A C -1.330 176.411 177.584 0.262 0.000 1.132 224 A CA -0.221 51.927 52.037 0.185 0.000 0.819 224 A CB 0.497 19.688 19.000 0.318 0.000 1.094 224 A HN 0.893 nan 8.150 nan 0.000 0.492 225 Y N -1.402 118.800 120.300 -0.163 0.000 2.609 225 Y HA 0.757 4.926 4.550 -0.635 0.000 0.336 225 Y C -0.412 175.464 175.900 -0.039 0.000 1.129 225 Y CA -0.919 57.178 58.100 -0.005 0.000 1.040 225 Y CB 0.898 39.292 38.460 -0.110 0.000 1.310 225 Y HN 0.932 nan 8.280 nan 0.000 0.460 226 A N 2.345 125.301 122.820 0.226 0.000 2.337 226 A HA 0.664 4.604 4.320 -0.634 0.000 0.331 226 A C -1.258 176.215 177.584 -0.183 0.000 1.137 226 A CA -0.875 51.105 52.037 -0.094 0.000 0.807 226 A CB 1.746 20.709 19.000 -0.061 0.000 1.250 226 A HN 0.833 nan 8.150 nan 0.000 0.468 227 Q N 1.266 120.862 119.800 -0.339 0.000 2.331 227 Q HA 0.604 4.563 4.340 -0.634 0.000 0.267 227 Q C -2.044 173.678 176.000 -0.464 0.000 1.006 227 Q CA -0.376 55.344 55.803 -0.138 0.000 0.818 227 Q CB 0.955 29.826 28.738 0.221 0.000 1.276 227 Q HN 0.575 nan 8.270 nan 0.000 0.450 228 F N 2.588 122.611 119.950 0.122 0.000 2.436 228 F HA 0.383 4.530 4.527 -0.632 0.000 0.340 228 F C 0.411 176.335 175.800 0.206 0.000 1.113 228 F CA -0.906 57.132 58.000 0.063 0.000 1.022 228 F CB 1.339 40.274 39.000 -0.108 0.000 1.128 228 F HN 0.458 nan 8.300 nan 0.000 0.466 229 N N 2.343 121.222 118.700 0.299 0.000 2.511 229 N HA 0.194 4.553 4.740 -0.634 0.000 0.249 229 N C -0.700 174.959 175.510 0.248 0.000 0.971 229 N CA -0.296 52.902 53.050 0.247 0.000 0.938 229 N CB 0.864 39.444 38.487 0.154 0.000 1.131 229 N HN 0.514 nan 8.380 nan 0.000 0.505 230 D N 1.655 122.230 120.400 0.292 0.000 2.388 230 D HA 0.103 4.363 4.640 -0.634 0.000 0.221 230 D C 1.213 177.618 176.300 0.174 0.000 1.133 230 D CA 0.170 54.319 54.000 0.248 0.000 0.831 230 D CB 0.410 41.414 40.800 0.339 0.000 0.962 230 D HN 0.468 nan 8.370 nan 0.000 0.502 231 T N 0.495 115.132 114.554 0.139 0.000 2.653 231 T HA -0.213 3.756 4.350 -0.634 0.000 0.268 231 T C 1.390 176.139 174.700 0.080 0.000 1.035 231 T CA 1.348 63.506 62.100 0.096 0.000 1.154 231 T CB -0.040 68.873 68.868 0.075 0.000 0.862 231 T HN 0.332 nan 8.240 nan 0.000 0.441 232 E N 0.352 120.599 120.200 0.079 0.000 2.463 232 E HA 0.150 4.119 4.350 -0.634 0.000 0.193 232 E C -0.359 176.282 176.600 0.069 0.000 1.041 232 E CA -0.236 56.201 56.400 0.063 0.000 0.879 232 E CB 0.467 30.197 29.700 0.049 0.000 0.997 232 E HN 0.227 nan 8.360 nan 0.000 0.478 233 V N 3.500 123.468 119.914 0.090 0.000 2.488 233 V HA 0.121 3.861 4.120 -0.634 0.000 0.277 233 V C -2.036 174.110 176.094 0.087 0.000 1.046 233 V CA -1.690 60.667 62.300 0.095 0.000 0.986 233 V CB 0.456 32.352 31.823 0.121 0.000 0.989 233 V HN 0.020 nan 8.190 nan 0.000 0.475 234 P HA 0.218 nan 4.420 nan 0.000 0.270 234 P C -0.679 176.659 177.300 0.063 0.000 1.223 234 P CA -0.210 62.926 63.100 0.060 0.000 0.785 234 P CB 0.497 32.231 31.700 0.056 0.000 0.923 235 L N 2.159 123.399 121.223 0.028 0.000 2.309 235 L HA 0.436 4.396 4.340 -0.634 0.000 0.282 235 L C 0.380 177.213 176.870 -0.061 0.000 1.036 235 L CA -0.980 53.861 54.840 0.002 0.000 0.806 235 L CB 0.984 43.037 42.059 -0.011 0.000 1.220 235 L HN 0.306 nan 8.230 nan 0.000 0.429 236 I N 2.564 123.055 120.570 -0.133 0.000 2.428 236 I HA 0.263 4.052 4.170 -0.634 0.000 0.289 236 I C -0.335 175.653 176.117 -0.214 0.000 1.019 236 I CA 0.248 61.376 61.300 -0.286 0.000 1.351 236 I CB 0.887 38.452 38.000 -0.726 0.000 1.412 236 I HN 0.580 nan 8.210 nan 0.000 0.513 237 E N 6.995 127.089 120.200 -0.176 0.000 2.293 237 E HA 0.556 4.526 4.350 -0.634 0.000 0.270 237 E C -1.824 174.724 176.600 -0.087 0.000 0.879 237 E CA -0.618 55.674 56.400 -0.180 0.000 0.756 237 E CB 2.217 31.832 29.700 -0.141 0.000 1.208 237 E HN 0.561 nan 8.360 nan 0.000 0.428 238 Y N -2.091 118.110 120.300 -0.165 0.000 2.624 238 Y HA 0.499 4.653 4.550 -0.660 0.000 0.334 238 Y C -0.771 175.043 175.900 -0.144 0.000 1.155 238 Y CA -1.285 56.722 58.100 -0.156 0.000 1.046 238 Y CB 0.710 39.076 38.460 -0.156 0.000 1.316 238 Y HN 0.231 nan 8.280 nan 0.000 0.457 239 S N 1.988 117.641 115.700 -0.078 0.000 2.565 239 S HA 0.468 4.558 4.470 -0.634 0.000 0.276 239 S C -1.312 173.083 174.600 -0.342 0.000 1.326 239 S CA -0.307 57.701 58.200 -0.321 0.000 1.045 239 S CB 0.368 63.246 63.200 -0.537 0.000 0.918 239 S HN 0.532 nan 8.310 nan 0.000 0.505 240 F N 2.138 121.780 119.950 -0.513 0.000 2.518 240 F HA 0.439 4.592 4.527 -0.625 0.000 0.323 240 F C -0.238 175.296 175.800 -0.444 0.000 1.129 240 F CA -0.938 56.865 58.000 -0.328 0.000 0.920 240 F CB 0.861 39.793 39.000 -0.114 0.000 1.160 240 F HN 0.648 nan 8.300 nan 0.000 0.440 241 Y N 2.760 122.788 120.300 -0.453 0.000 2.397 241 Y HA 0.118 4.208 4.550 -0.766 0.000 0.292 241 Y C 1.717 177.533 175.900 -0.140 0.000 1.115 241 Y CA 1.172 59.129 58.100 -0.238 0.000 1.208 241 Y CB -0.455 37.856 38.460 -0.248 0.000 1.046 241 Y HN 0.749 nan 8.280 nan 0.000 0.552 242 S N -0.047 115.564 115.700 -0.149 0.000 3.513 242 S HA -0.323 3.766 4.470 -0.634 0.000 0.636 242 S C -0.173 174.481 174.600 0.091 0.000 2.452 242 S CA 0.213 58.494 58.200 0.136 0.000 2.644 242 S CB -1.418 61.954 63.200 0.286 0.000 0.331 242 S HN 0.607 nan 8.310 nan 0.000 1.787 243 D N 0.961 121.433 120.400 0.120 0.000 2.449 243 D HA 0.168 4.427 4.640 -0.634 0.000 0.236 243 D C 1.423 177.759 176.300 0.060 0.000 1.149 243 D CA 0.956 55.006 54.000 0.082 0.000 0.878 243 D CB 0.423 41.273 40.800 0.084 0.000 1.198 243 D HN 0.534 nan 8.370 nan 0.000 0.446 244 E N 1.145 121.369 120.200 0.039 0.000 2.273 244 E HA -0.255 3.714 4.350 -0.634 0.000 0.198 244 E C 1.451 178.066 176.600 0.025 0.000 1.002 244 E CA 1.259 57.672 56.400 0.022 0.000 0.828 244 E CB 0.031 29.738 29.700 0.011 0.000 0.747 244 E HN 0.564 nan 8.360 nan 0.000 0.491 245 S N 0.013 115.734 115.700 0.036 0.000 2.453 245 S HA -0.053 4.036 4.470 -0.634 0.000 0.231 245 S C 1.144 175.771 174.600 0.045 0.000 1.005 245 S CA -0.073 58.148 58.200 0.036 0.000 0.949 245 S CB -0.151 63.073 63.200 0.040 0.000 0.774 245 S HN 0.249 nan 8.310 nan 0.000 0.510 246 L N 2.524 123.783 121.223 0.060 0.000 2.530 246 L HA 0.119 4.078 4.340 -0.634 0.000 0.273 246 L C 1.612 178.520 176.870 0.063 0.000 1.141 246 L CA 0.090 54.977 54.840 0.078 0.000 0.905 246 L CB 0.843 42.961 42.059 0.099 0.000 1.202 246 L HN 0.455 nan 8.230 nan 0.000 0.473 247 Q N 4.101 123.944 119.800 0.073 0.000 2.119 247 Q HA -0.105 3.854 4.340 -0.634 0.000 0.201 247 Q C -0.664 175.261 176.000 -0.124 0.000 0.972 247 Q CA 1.370 57.168 55.803 -0.008 0.000 0.847 247 Q CB 0.228 28.989 28.738 0.037 0.000 0.903 247 Q HN 0.597 nan 8.270 nan 0.000 0.433 248 Y N 0.301 120.615 120.300 0.022 0.000 2.341 248 Y HA 0.394 4.562 4.550 -0.637 0.000 0.338 248 Y C -2.075 173.832 175.900 0.012 0.000 0.965 248 Y CA -3.004 55.105 58.100 0.015 0.000 1.108 248 Y CB 1.396 39.856 38.460 0.002 0.000 1.180 248 Y HN 0.114 nan 8.280 nan 0.000 0.458 249 P HA 0.111 nan 4.420 nan 0.000 0.270 249 P C -0.829 176.474 177.300 0.005 0.000 1.223 249 P CA -0.479 62.630 63.100 0.015 0.000 0.785 249 P CB 0.795 32.438 31.700 -0.096 0.000 0.923 250 K N 0.340 120.721 120.400 -0.031 0.000 2.098 250 K HA 0.522 4.462 4.320 -0.634 0.000 0.258 250 K C -0.421 176.120 176.600 -0.098 0.000 0.973 250 K CA -0.201 56.071 56.287 -0.026 0.000 0.898 250 K CB 0.686 33.201 32.500 0.026 0.000 1.057 250 K HN 0.289 nan 8.250 nan 0.000 0.447 251 T N 1.698 116.184 114.554 -0.113 0.000 2.756 251 T HA 0.334 4.303 4.350 -0.634 0.000 0.290 251 T C -0.673 173.891 174.700 -0.227 0.000 0.985 251 T CA -0.684 61.311 62.100 -0.175 0.000 0.955 251 T CB 0.809 69.594 68.868 -0.138 0.000 0.930 251 T HN 0.150 nan 8.240 nan 0.000 0.451 252 V N 5.308 124.984 119.914 -0.396 0.000 2.546 252 V HA 0.450 4.189 4.120 -0.634 0.000 0.284 252 V C 0.397 176.233 176.094 -0.430 0.000 1.050 252 V CA -0.497 61.528 62.300 -0.460 0.000 0.981 252 V CB 0.880 32.222 31.823 -0.801 0.000 0.990 252 V HN 0.723 nan 8.190 nan 0.000 0.474 253 R N 5.208 125.579 120.500 -0.214 0.000 2.532 253 R HA 0.731 4.691 4.340 -0.634 0.000 0.297 253 R C -1.422 174.867 176.300 -0.018 0.000 0.984 253 R CA -0.576 55.446 56.100 -0.131 0.000 0.884 253 R CB 2.097 32.349 30.300 -0.081 0.000 1.182 253 R HN 0.588 nan 8.270 nan 0.000 0.442 254 I N 3.128 123.689 120.570 -0.015 0.000 2.533 254 I HA 0.337 4.126 4.170 -0.634 0.000 0.290 254 I C -2.478 173.691 176.117 0.086 0.000 1.056 254 I CA -2.690 58.661 61.300 0.085 0.000 1.057 254 I CB 2.925 40.921 38.000 -0.006 0.000 1.240 254 I HN 0.230 nan 8.210 nan 0.000 0.423 255 P HA 0.102 nan 4.420 nan 0.000 0.276 255 P C -1.515 175.893 177.300 0.180 0.000 1.264 255 P CA 0.173 63.374 63.100 0.168 0.000 0.769 255 P CB -0.015 31.818 31.700 0.222 0.000 0.840 256 Y N 6.650 126.930 120.300 -0.032 0.000 2.315 256 Y HA 0.405 4.583 4.550 -0.620 0.000 0.324 256 Y C -2.747 173.129 175.900 -0.040 0.000 1.062 256 Y CA -2.939 55.100 58.100 -0.102 0.000 1.159 256 Y CB 1.845 40.127 38.460 -0.296 0.000 1.145 256 Y HN 0.281 nan 8.280 nan 0.000 0.442 257 P HA 0.259 nan 4.420 nan 0.000 0.287 257 P C -0.999 176.329 177.300 0.047 0.000 1.307 257 P CA -0.208 62.920 63.100 0.047 0.000 0.777 257 P CB 1.430 33.143 31.700 0.021 0.000 0.883 258 K N 2.009 122.518 120.400 0.182 0.000 2.127 258 K HA 0.533 4.473 4.320 -0.634 0.000 0.240 258 K C 0.510 177.196 176.600 0.144 0.000 1.024 258 K CA -0.805 55.610 56.287 0.213 0.000 0.918 258 K CB 0.585 33.236 32.500 0.253 0.000 1.108 258 K HN 0.439 nan 8.250 nan 0.000 0.485 259 A N 0.689 123.620 122.820 0.184 0.000 2.573 259 A HA 0.254 4.194 4.320 -0.634 0.000 0.250 259 A C 1.190 178.814 177.584 0.067 0.000 1.049 259 A CA 1.086 53.222 52.037 0.166 0.000 0.767 259 A CB -1.336 17.836 19.000 0.287 0.000 0.965 259 A HN 0.904 nan 8.150 nan 0.000 0.514 260 G N 1.012 109.845 108.800 0.055 0.000 2.205 260 G HA2 0.095 3.674 3.960 -0.634 0.000 0.261 260 G HA3 0.095 3.674 3.960 -0.634 0.000 0.261 260 G C 0.692 175.606 174.900 0.023 0.000 0.980 260 G CA 0.789 45.897 45.100 0.014 0.000 0.632 260 G HN 2.192 nan 8.290 nan 0.000 0.533 261 A N -0.196 122.651 122.820 0.046 0.000 2.259 261 A HA 0.697 4.636 4.320 -0.634 0.000 0.278 261 A C 0.517 178.126 177.584 0.043 0.000 1.107 261 A CA 0.619 52.684 52.037 0.047 0.000 0.828 261 A CB 0.328 19.369 19.000 0.070 0.000 1.111 261 A HN 0.751 nan 8.150 nan 0.000 0.498 262 E N 0.470 120.695 120.200 0.042 0.000 2.376 262 E HA 0.145 4.115 4.350 -0.634 0.000 0.266 262 E C -0.399 176.235 176.600 0.056 0.000 1.009 262 E CA 0.220 56.644 56.400 0.039 0.000 0.902 262 E CB 0.182 29.905 29.700 0.039 0.000 0.972 262 E HN 0.545 nan 8.360 nan 0.000 0.439 263 N N 4.046 122.778 118.700 0.053 0.000 2.482 263 N HA 0.438 4.798 4.740 -0.634 0.000 0.279 263 N C -2.481 173.098 175.510 0.114 0.000 1.182 263 N CA -1.786 51.317 53.050 0.088 0.000 0.969 263 N CB 0.796 39.333 38.487 0.084 0.000 1.201 263 N HN 0.391 nan 8.380 nan 0.000 0.523 264 P HA 0.111 nan 4.420 nan 0.000 0.272 264 P C -0.589 176.837 177.300 0.209 0.000 1.230 264 P CA -0.120 63.111 63.100 0.218 0.000 0.788 264 P CB 0.391 32.266 31.700 0.291 0.000 0.949 265 T N -1.796 112.858 114.554 0.166 0.000 2.945 265 T HA 0.570 4.539 4.350 -0.634 0.000 0.286 265 T C -0.288 174.487 174.700 0.124 0.000 1.025 265 T CA -0.858 61.295 62.100 0.089 0.000 1.039 265 T CB 1.548 70.436 68.868 0.033 0.000 1.068 265 T HN 0.325 nan 8.240 nan 0.000 0.497 266 V N 0.728 120.691 119.914 0.081 0.000 2.823 266 V HA 0.751 4.490 4.120 -0.634 0.000 0.312 266 V C -1.473 174.629 176.094 0.014 0.000 1.072 266 V CA -0.900 61.398 62.300 -0.004 0.000 0.937 266 V CB 1.996 33.869 31.823 0.083 0.000 1.013 266 V HN 1.010 nan 8.190 nan 0.000 0.430 267 K N 4.937 125.257 120.400 -0.133 0.000 2.427 267 K HA 0.499 4.439 4.320 -0.634 0.000 0.252 267 K C -1.865 174.500 176.600 -0.392 0.000 0.931 267 K CA -0.401 55.731 56.287 -0.259 0.000 0.793 267 K CB 2.684 34.979 32.500 -0.341 0.000 1.211 267 K HN 0.582 nan 8.250 nan 0.000 0.426 268 F N 3.521 123.130 119.950 -0.569 0.000 2.467 268 F HA 0.542 4.688 4.527 -0.635 0.000 0.336 268 F C -1.420 173.921 175.800 -0.766 0.000 1.123 268 F CA -0.694 57.000 58.000 -0.510 0.000 0.964 268 F CB 0.681 39.535 39.000 -0.243 0.000 1.136 268 F HN 0.378 nan 8.300 nan 0.000 0.447 269 F N 4.435 123.685 119.950 -1.166 0.000 2.577 269 F HA 0.708 4.854 4.527 -0.635 0.000 0.318 269 F C -0.844 174.450 175.800 -0.844 0.000 1.065 269 F CA -1.268 56.225 58.000 -0.845 0.000 0.929 269 F CB 2.032 40.518 39.000 -0.857 0.000 1.237 269 F HN 0.065 nan 8.300 nan 0.000 0.468 270 V N 3.129 122.950 119.914 -0.154 0.000 2.407 270 V HA 0.433 4.172 4.120 -0.634 0.000 0.291 270 V C -0.671 175.562 176.094 0.231 0.000 1.018 270 V CA -0.791 61.462 62.300 -0.079 0.000 0.842 270 V CB 1.601 33.171 31.823 -0.422 0.000 0.996 270 V HN 0.524 nan 8.190 nan 0.000 0.426 271 V N 3.590 123.676 119.914 0.287 0.000 2.439 271 V HA 0.348 4.087 4.120 -0.634 0.000 0.282 271 V C 0.019 176.381 176.094 0.446 0.000 1.039 271 V CA -0.481 62.011 62.300 0.320 0.000 0.913 271 V CB 1.844 33.784 31.823 0.195 0.000 0.983 271 V HN 0.863 nan 8.190 nan 0.000 0.460 272 D N 3.447 124.119 120.400 0.452 0.000 2.365 272 D HA 0.098 4.357 4.640 -0.634 0.000 0.237 272 D C 1.317 177.715 176.300 0.164 0.000 1.190 272 D CA -0.008 54.225 54.000 0.388 0.000 0.867 272 D CB 1.701 42.757 40.800 0.428 0.000 1.050 272 D HN 0.740 nan 8.370 nan 0.000 0.491 273 T N 1.336 115.937 114.554 0.079 0.000 3.118 273 T HA -0.008 3.961 4.350 -0.634 0.000 0.260 273 T C 1.627 176.352 174.700 0.043 0.000 1.139 273 T CA 0.363 62.510 62.100 0.078 0.000 1.085 273 T CB 0.027 68.986 68.868 0.152 0.000 0.934 273 T HN 0.303 nan 8.240 nan 0.000 0.518 274 R N 1.336 121.834 120.500 -0.004 0.000 2.115 274 R HA -0.025 3.935 4.340 -0.634 0.000 0.230 274 R C 2.546 178.865 176.300 0.031 0.000 1.111 274 R CA 1.745 57.841 56.100 -0.006 0.000 0.976 274 R CB -0.487 29.791 30.300 -0.036 0.000 0.870 274 R HN 0.670 nan 8.270 nan 0.000 0.445 275 T N -1.719 112.869 114.554 0.056 0.000 3.107 275 T HA 0.209 4.178 4.350 -0.634 0.000 0.249 275 T C 0.721 175.458 174.700 0.062 0.000 1.096 275 T CA -0.211 61.927 62.100 0.064 0.000 1.012 275 T CB 0.003 68.921 68.868 0.083 0.000 0.977 275 T HN -0.018 nan 8.240 nan 0.000 0.527 276 L N 2.458 123.717 121.223 0.060 0.000 2.584 276 L HA 0.341 4.300 4.340 -0.634 0.000 0.272 276 L C 0.406 177.307 176.870 0.053 0.000 1.195 276 L CA 0.101 54.974 54.840 0.056 0.000 0.920 276 L CB 0.220 42.310 42.059 0.052 0.000 1.173 276 L HN 0.264 nan 8.230 nan 0.000 0.489 277 S N 3.945 119.679 115.700 0.056 0.000 2.537 277 S HA 0.442 4.531 4.470 -0.634 0.000 0.271 277 S C -1.923 172.714 174.600 0.062 0.000 1.148 277 S CA -0.957 57.275 58.200 0.053 0.000 0.868 277 S CB 1.967 65.195 63.200 0.047 0.000 1.115 277 S HN 0.388 nan 8.310 nan 0.000 0.461 278 P HA -0.066 nan 4.420 nan 0.000 0.218 278 P C 0.368 177.708 177.300 0.066 0.000 1.148 278 P CA 1.247 64.391 63.100 0.074 0.000 0.822 278 P CB -0.035 31.703 31.700 0.064 0.000 0.784 279 N N -0.479 118.250 118.700 0.048 0.000 2.270 279 N HA 0.208 4.568 4.740 -0.634 0.000 0.198 279 N C 0.518 176.047 175.510 0.031 0.000 1.117 279 N CA 0.079 53.149 53.050 0.034 0.000 0.845 279 N CB 0.379 38.883 38.487 0.027 0.000 0.980 279 N HN 0.163 nan 8.380 nan 0.000 0.486 280 A N 0.268 123.113 122.820 0.042 0.000 2.337 280 A HA 0.646 4.585 4.320 -0.634 0.000 0.331 280 A C 0.572 178.184 177.584 0.046 0.000 1.137 280 A CA -0.566 51.496 52.037 0.042 0.000 0.807 280 A CB 0.972 20.002 19.000 0.049 0.000 1.250 280 A HN 0.173 nan 8.150 nan 0.000 0.468 281 S N 0.103 115.825 115.700 0.038 0.000 2.641 281 S HA 0.550 4.639 4.470 -0.634 0.000 0.261 281 S C 0.028 174.667 174.600 0.066 0.000 1.257 281 S CA -0.499 57.723 58.200 0.036 0.000 0.983 281 S CB 0.649 63.861 63.200 0.020 0.000 0.990 281 S HN 0.819 nan 8.310 nan 0.000 0.572 282 V N 1.257 121.215 119.914 0.073 0.000 2.509 282 V HA 0.355 4.094 4.120 -0.634 0.000 0.284 282 V C 0.287 176.442 176.094 0.101 0.000 1.047 282 V CA -0.518 61.833 62.300 0.084 0.000 0.952 282 V CB 1.303 33.169 31.823 0.072 0.000 0.988 282 V HN 1.004 nan 8.190 nan 0.000 0.469 283 T N 4.531 119.166 114.554 0.135 0.000 2.738 283 T HA 0.523 4.492 4.350 -0.634 0.000 0.298 283 T C 0.002 174.848 174.700 0.243 0.000 0.962 283 T CA -0.210 62.002 62.100 0.186 0.000 0.972 283 T CB 0.590 69.582 68.868 0.207 0.000 0.928 283 T HN 0.943 nan 8.240 nan 0.000 0.474 284 S N 3.202 119.055 115.700 0.254 0.000 2.579 284 S HA 0.719 4.808 4.470 -0.634 0.000 0.272 284 S C -1.759 173.081 174.600 0.400 0.000 1.141 284 S CA -0.964 57.423 58.200 0.312 0.000 0.843 284 S CB 1.708 65.026 63.200 0.196 0.000 1.122 284 S HN 0.578 nan 8.310 nan 0.000 0.468 285 Y N 1.097 121.583 120.300 0.311 0.000 2.406 285 Y HA 0.504 4.673 4.550 -0.634 0.000 0.340 285 Y C -0.522 175.521 175.900 0.238 0.000 0.975 285 Y CA -0.436 57.847 58.100 0.304 0.000 1.056 285 Y CB 1.940 40.652 38.460 0.421 0.000 1.210 285 Y HN 0.936 nan 8.280 nan 0.000 0.448 286 Q N 6.318 125.869 119.800 -0.415 0.000 2.274 286 Q HA 0.503 4.462 4.340 -0.634 0.000 0.256 286 Q C -1.265 174.467 176.000 -0.447 0.000 0.927 286 Q CA -0.469 55.058 55.803 -0.461 0.000 0.939 286 Q CB 0.785 29.228 28.738 -0.491 0.000 1.201 286 Q HN 0.762 nan 8.270 nan 0.000 0.426 287 I N 4.993 125.503 120.570 -0.100 0.000 2.336 287 I HA 0.255 4.045 4.170 -0.634 0.000 0.292 287 I C 0.051 176.188 176.117 0.032 0.000 0.991 287 I CA -0.917 60.446 61.300 0.104 0.000 1.227 287 I CB 1.375 39.532 38.000 0.262 0.000 1.366 287 I HN 0.420 nan 8.210 nan 0.000 0.466 288 V N 5.140 125.003 119.914 -0.085 0.000 2.713 288 V HA 0.657 4.396 4.120 -0.634 0.000 0.307 288 V C -2.385 173.405 176.094 -0.507 0.000 1.052 288 V CA -2.061 60.068 62.300 -0.285 0.000 0.967 288 V CB 1.076 32.738 31.823 -0.270 0.000 1.019 288 V HN 0.516 nan 8.190 nan 0.000 0.459 289 P HA 0.359 nan 4.420 nan 0.000 0.272 289 P C -2.780 174.109 177.300 -0.686 0.000 1.240 289 P CA -1.429 60.795 63.100 -1.460 0.000 0.791 289 P CB -0.307 30.056 31.700 -2.227 0.000 0.978 290 P HA -0.027 nan 4.420 nan 0.000 0.269 290 P C 0.892 178.040 177.300 -0.253 0.000 1.217 290 P CA 0.297 63.252 63.100 -0.241 0.000 0.783 290 P CB 0.043 31.669 31.700 -0.123 0.000 0.898 291 A N 1.999 124.716 122.820 -0.173 0.000 1.948 291 A HA -0.225 3.715 4.320 -0.634 0.000 0.220 291 A C 2.067 179.552 177.584 -0.164 0.000 1.177 291 A CA 2.481 54.422 52.037 -0.159 0.000 0.636 291 A CB -1.805 17.130 19.000 -0.108 0.000 0.815 291 A HN 0.627 nan 8.150 nan 0.000 0.449 292 S N -1.309 114.310 115.700 -0.134 0.000 2.507 292 S HA 0.016 4.105 4.470 -0.634 0.000 0.235 292 S C 1.384 175.833 174.600 -0.252 0.000 0.988 292 S CA 1.267 59.364 58.200 -0.171 0.000 0.944 292 S CB -0.111 63.043 63.200 -0.077 0.000 0.762 292 S HN 0.269 nan 8.310 nan 0.000 0.526 293 V N 0.526 120.306 119.914 -0.224 0.000 3.013 293 V HA 0.266 4.005 4.120 -0.634 0.000 0.238 293 V C 2.092 177.979 176.094 -0.345 0.000 1.161 293 V CA 0.217 62.368 62.300 -0.248 0.000 1.170 293 V CB -0.302 31.389 31.823 -0.221 0.000 0.917 293 V HN 0.404 nan 8.190 nan 0.000 0.478 294 L N 0.253 121.213 121.223 -0.438 0.000 2.261 294 L HA -0.176 3.783 4.340 -0.634 0.000 0.216 294 L C 2.230 178.986 176.870 -0.191 0.000 1.114 294 L CA 1.713 56.304 54.840 -0.416 0.000 0.777 294 L CB -0.178 41.666 42.059 -0.359 0.000 0.910 294 L HN 0.375 nan 8.230 nan 0.000 0.440 295 I N -0.771 119.698 120.570 -0.168 0.000 2.423 295 I HA -0.126 3.663 4.170 -0.634 0.000 0.254 295 I C 1.088 177.160 176.117 -0.075 0.000 1.151 295 I CA 1.007 62.238 61.300 -0.116 0.000 1.421 295 I CB 0.035 37.955 38.000 -0.132 0.000 1.079 295 I HN 0.284 nan 8.210 nan 0.000 0.431 296 G N -1.009 107.763 108.800 -0.047 0.000 2.749 296 G HA2 0.226 3.806 3.960 -0.634 0.000 0.300 296 G HA3 0.226 3.806 3.960 -0.634 0.000 0.300 296 G C -1.590 173.327 174.900 0.029 0.000 1.352 296 G CA -0.579 44.506 45.100 -0.026 0.000 0.789 296 G HN -0.053 nan 8.290 nan 0.000 0.509 297 D N 1.111 121.477 120.400 -0.056 0.000 2.506 297 D HA 0.372 4.631 4.640 -0.634 0.000 0.234 297 D C 0.477 176.675 176.300 -0.170 0.000 1.143 297 D CA 0.937 54.837 54.000 -0.167 0.000 0.871 297 D CB 0.284 40.968 40.800 -0.193 0.000 1.190 297 D HN 0.543 nan 8.370 nan 0.000 0.459 298 H N -0.871 118.039 119.070 -0.266 0.000 2.948 298 H HA 0.436 4.612 4.556 -0.634 0.000 0.315 298 H C -1.400 173.769 175.328 -0.265 0.000 1.360 298 H CA -0.829 55.070 56.048 -0.249 0.000 1.125 298 H CB 0.332 30.060 29.762 -0.057 0.000 1.844 298 H HN 0.294 nan 8.280 nan 0.000 0.529 299 Y N 0.190 120.736 120.300 0.410 0.000 2.512 299 Y HA 0.391 4.561 4.550 -0.635 0.000 0.348 299 Y C -0.342 175.928 175.900 0.617 0.000 0.990 299 Y CA -1.134 57.230 58.100 0.440 0.000 1.033 299 Y CB 2.034 40.579 38.460 0.142 0.000 1.259 299 Y HN 0.520 nan 8.280 nan 0.000 0.461 300 L N 3.235 124.935 121.223 0.794 0.000 2.276 300 L HA 0.451 4.410 4.340 -0.634 0.000 0.286 300 L C 0.378 177.485 176.870 0.395 0.000 1.061 300 L CA -0.235 54.744 54.840 0.231 0.000 0.807 300 L CB 0.548 42.600 42.059 -0.012 0.000 1.177 300 L HN 0.965 nan 8.230 nan 0.000 0.429 301 C N 1.652 121.024 119.300 0.120 0.000 3.559 301 C HA 0.851 4.930 4.460 -0.634 0.000 0.314 301 C C 0.665 175.648 174.990 -0.012 0.000 1.419 301 C CA 0.019 59.170 59.018 0.221 0.000 1.775 301 C CB -0.748 27.091 27.740 0.166 0.000 2.430 301 C HN 0.944 nan 8.230 nan 0.000 0.686 302 G N 0.093 108.719 108.800 -0.290 0.000 2.732 302 G HA2 0.590 4.169 3.960 -0.634 0.000 0.296 302 G HA3 0.590 4.169 3.960 -0.634 0.000 0.296 302 G C -1.919 172.550 174.900 -0.717 0.000 1.448 302 G CA -0.214 44.626 45.100 -0.434 0.000 0.911 302 G HN 0.357 nan 8.290 nan 0.000 0.528 303 V N 0.925 120.345 119.914 -0.822 0.000 2.612 303 V HA 0.702 4.441 4.120 -0.634 0.000 0.301 303 V C -0.515 175.124 176.094 -0.760 0.000 1.059 303 V CA -0.645 61.002 62.300 -1.088 0.000 0.886 303 V CB 2.065 32.749 31.823 -1.897 0.000 1.007 303 V HN 0.883 nan 8.190 nan 0.000 0.426 304 T N 3.451 117.628 114.554 -0.629 0.000 2.890 304 T HA 0.373 4.342 4.350 -0.634 0.000 0.295 304 T C -0.838 173.615 174.700 -0.411 0.000 0.993 304 T CA -0.382 61.496 62.100 -0.370 0.000 0.979 304 T CB 0.859 69.593 68.868 -0.222 0.000 0.967 304 T HN 0.534 nan 8.240 nan 0.000 0.441 305 W N 2.840 124.040 121.300 -0.167 0.000 2.266 305 W HA 0.331 4.610 4.660 -0.635 0.000 0.317 305 W C 1.099 177.514 176.519 -0.172 0.000 1.310 305 W CA -0.352 56.919 57.345 -0.123 0.000 1.207 305 W CB 0.676 30.153 29.460 0.027 0.000 1.199 305 W HN 0.473 nan 8.180 nan 0.000 0.544 306 V N 1.831 121.735 119.914 -0.017 0.000 2.521 306 V HA 0.078 3.817 4.120 -0.634 0.000 0.239 306 V C 0.924 177.071 176.094 0.089 0.000 1.053 306 V CA 1.540 63.733 62.300 -0.179 0.000 1.073 306 V CB -0.319 31.163 31.823 -0.568 0.000 0.746 306 V HN 0.658 nan 8.190 nan 0.000 0.476 307 T N -4.209 110.468 114.554 0.204 0.000 2.681 307 T HA 0.337 4.306 4.350 -0.634 0.000 0.296 307 T C 0.405 175.305 174.700 0.334 0.000 1.157 307 T CA -0.483 61.751 62.100 0.223 0.000 1.025 307 T CB 1.922 70.898 68.868 0.180 0.000 1.441 307 T HN -0.051 nan 8.240 nan 0.000 0.504 308 E N 0.336 120.686 120.200 0.251 0.000 2.338 308 E HA -0.035 3.935 4.350 -0.634 0.000 0.197 308 E C 0.842 177.735 176.600 0.487 0.000 1.007 308 E CA 1.019 57.587 56.400 0.281 0.000 0.849 308 E CB 0.125 29.928 29.700 0.173 0.000 0.774 308 E HN 0.731 nan 8.360 nan 0.000 0.506 309 E N -0.158 120.293 120.200 0.418 0.000 2.660 309 E HA 0.142 4.112 4.350 -0.634 0.000 0.216 309 E C 0.161 177.008 176.600 0.411 0.000 0.986 309 E CA -0.159 56.461 56.400 0.367 0.000 1.037 309 E CB 0.993 30.825 29.700 0.220 0.000 1.041 309 E HN -0.123 nan 8.360 nan 0.000 0.480 310 R N 1.577 122.368 120.500 0.485 0.000 2.538 310 R HA 0.504 4.463 4.340 -0.634 0.000 0.292 310 R C -1.780 174.591 176.300 0.118 0.000 1.008 310 R CA -0.420 55.855 56.100 0.292 0.000 0.896 310 R CB 1.292 31.658 30.300 0.109 0.000 1.187 310 R HN 0.049 nan 8.270 nan 0.000 0.440 311 I N 2.340 122.835 120.570 -0.124 0.000 2.608 311 I HA 0.382 4.172 4.170 -0.634 0.000 0.295 311 I C -1.174 174.624 176.117 -0.532 0.000 1.049 311 I CA -0.532 60.403 61.300 -0.608 0.000 1.063 311 I CB 2.389 39.614 38.000 -1.292 0.000 1.248 311 I HN 0.655 nan 8.210 nan 0.000 0.424 312 S N 7.538 122.862 115.700 -0.626 0.000 2.433 312 S HA 0.630 4.719 4.470 -0.634 0.000 0.310 312 S C -0.940 173.307 174.600 -0.589 0.000 1.097 312 S CA -0.658 57.247 58.200 -0.491 0.000 1.103 312 S CB 0.575 63.527 63.200 -0.414 0.000 0.992 312 S HN 0.498 nan 8.310 nan 0.000 0.469 313 L N 4.470 125.369 121.223 -0.539 0.000 2.322 313 L HA 0.555 4.515 4.340 -0.634 0.000 0.281 313 L C -0.086 176.439 176.870 -0.576 0.000 1.014 313 L CA -0.602 53.783 54.840 -0.759 0.000 0.815 313 L CB 1.913 43.480 42.059 -0.819 0.000 1.247 313 L HN 0.633 nan 8.230 nan 0.000 0.421 314 Q N 2.411 121.813 119.800 -0.663 0.000 2.333 314 Q HA 0.389 4.349 4.340 -0.634 0.000 0.268 314 Q C -1.813 173.962 176.000 -0.376 0.000 1.007 314 Q CA -0.555 55.028 55.803 -0.366 0.000 0.810 314 Q CB 1.517 30.100 28.738 -0.257 0.000 1.264 314 Q HN 0.464 nan 8.270 nan 0.000 0.452 315 W N 3.722 124.991 121.300 -0.053 0.000 2.736 315 W HA 0.719 4.998 4.660 -0.635 0.000 0.355 315 W C -0.551 176.025 176.519 0.094 0.000 1.102 315 W CA -0.698 56.666 57.345 0.032 0.000 1.164 315 W CB 1.307 30.752 29.460 -0.025 0.000 1.422 315 W HN 0.514 nan 8.180 nan 0.000 0.572 316 I N 1.036 121.877 120.570 0.452 0.000 2.752 316 I HA 0.408 4.197 4.170 -0.634 0.000 0.295 316 I C -0.258 176.054 176.117 0.324 0.000 1.219 316 I CA -1.035 60.476 61.300 0.352 0.000 1.030 316 I CB 1.386 39.567 38.000 0.302 0.000 1.259 316 I HN 0.415 nan 8.210 nan 0.000 0.423 317 R N 4.385 125.039 120.500 0.256 0.000 2.774 317 R HA 0.221 4.181 4.340 -0.634 0.000 0.269 317 R C 1.079 177.424 176.300 0.074 0.000 1.068 317 R CA -0.239 55.935 56.100 0.123 0.000 1.180 317 R CB 0.447 30.782 30.300 0.059 0.000 1.077 317 R HN 0.609 nan 8.270 nan 0.000 0.513 318 R N 1.405 121.851 120.500 -0.090 0.000 2.127 318 R HA -0.185 3.774 4.340 -0.634 0.000 0.238 318 R C 1.755 178.097 176.300 0.069 0.000 1.134 318 R CA 1.901 57.911 56.100 -0.149 0.000 0.975 318 R CB -0.271 29.892 30.300 -0.227 0.000 0.865 318 R HN 0.754 nan 8.270 nan 0.000 0.447 319 A N 0.352 123.198 122.820 0.044 0.000 2.070 319 A HA -0.157 3.782 4.320 -0.634 0.000 0.220 319 A C 0.823 178.451 177.584 0.074 0.000 1.159 319 A CA 1.355 53.422 52.037 0.050 0.000 0.656 319 A CB -0.151 18.869 19.000 0.033 0.000 0.800 319 A HN 0.630 nan 8.150 nan 0.000 0.453 320 Q N -1.954 117.922 119.800 0.127 0.000 2.494 320 Q HA -0.224 3.735 4.340 -0.634 0.000 0.266 320 Q C -0.090 175.993 176.000 0.140 0.000 1.053 320 Q CA 0.707 56.596 55.803 0.143 0.000 1.029 320 Q CB -1.712 27.075 28.738 0.082 0.000 1.423 320 Q HN 0.988 nan 8.270 nan 0.000 0.516 321 N N -0.671 118.113 118.700 0.140 0.000 2.197 321 N HA 0.123 4.482 4.740 -0.634 0.000 0.228 321 N C -0.918 174.692 175.510 0.166 0.000 1.212 321 N CA -0.059 53.060 53.050 0.117 0.000 0.883 321 N CB 0.479 39.010 38.487 0.074 0.000 1.107 321 N HN 0.332 nan 8.380 nan 0.000 0.519 322 Y N 1.316 121.645 120.300 0.049 0.000 2.298 322 Y HA 0.529 4.698 4.550 -0.635 0.000 0.322 322 Y C -1.269 174.671 175.900 0.068 0.000 1.138 322 Y CA -1.133 56.994 58.100 0.045 0.000 1.127 322 Y CB 1.044 39.520 38.460 0.028 0.000 1.178 322 Y HN 0.153 nan 8.280 nan 0.000 0.428 323 S N 6.307 121.953 115.700 -0.091 0.000 2.634 323 S HA 0.868 4.957 4.470 -0.634 0.000 0.296 323 S C -1.340 173.196 174.600 -0.107 0.000 1.104 323 S CA -0.828 57.391 58.200 0.032 0.000 0.920 323 S CB 2.481 65.712 63.200 0.051 0.000 1.111 323 S HN 0.814 nan 8.310 nan 0.000 0.493 324 I N 0.792 121.391 120.570 0.049 0.000 2.692 324 I HA 0.525 4.315 4.170 -0.634 0.000 0.293 324 I C -1.826 174.333 176.117 0.070 0.000 1.200 324 I CA -1.232 60.086 61.300 0.030 0.000 1.036 324 I CB 1.600 39.655 38.000 0.091 0.000 1.258 324 I HN 0.781 nan 8.210 nan 0.000 0.421 325 I N 5.700 126.284 120.570 0.024 0.000 2.359 325 I HA 0.307 4.096 4.170 -0.634 0.000 0.294 325 I C -1.068 175.079 176.117 0.049 0.000 0.987 325 I CA -0.216 61.074 61.300 -0.017 0.000 1.225 325 I CB 1.456 39.385 38.000 -0.118 0.000 1.366 325 I HN 0.480 nan 8.210 nan 0.000 0.466 326 D N 7.442 127.860 120.400 0.029 0.000 2.471 326 D HA 0.435 4.695 4.640 -0.634 0.000 0.245 326 D C -0.775 175.516 176.300 -0.014 0.000 1.116 326 D CA -0.293 53.733 54.000 0.045 0.000 0.853 326 D CB 1.116 41.980 40.800 0.107 0.000 1.123 326 D HN 0.249 nan 8.370 nan 0.000 0.540 327 I N 4.088 124.675 120.570 0.028 0.000 2.306 327 I HA 0.291 4.081 4.170 -0.634 0.000 0.288 327 I C -0.266 175.872 176.117 0.034 0.000 1.036 327 I CA -0.652 60.651 61.300 0.004 0.000 1.221 327 I CB 0.829 38.888 38.000 0.097 0.000 1.385 327 I HN 0.285 nan 8.210 nan 0.000 0.472 328 C N 4.353 123.671 119.300 0.030 0.000 2.341 328 C HA 0.447 4.527 4.460 -0.634 0.000 0.338 328 C C -0.052 175.078 174.990 0.234 0.000 1.257 328 C CA -0.730 58.370 59.018 0.137 0.000 1.883 328 C CB 0.628 28.485 27.740 0.194 0.000 2.334 328 C HN 0.579 nan 8.230 nan 0.000 0.524 329 D N 0.734 121.223 120.400 0.148 0.000 2.217 329 D HA 0.226 4.485 4.640 -0.634 0.000 0.243 329 D C -0.522 175.675 176.300 -0.171 0.000 1.054 329 D CA -0.218 53.821 54.000 0.065 0.000 0.838 329 D CB 1.024 41.833 40.800 0.015 0.000 1.162 329 D HN 0.588 nan 8.370 nan 0.000 0.472 330 Y N 1.726 121.637 120.300 -0.648 0.000 2.544 330 Y HA 0.107 4.276 4.550 -0.634 0.000 0.330 330 Y C 0.042 175.595 175.900 -0.578 0.000 1.136 330 Y CA -0.070 57.313 58.100 -1.195 0.000 1.417 330 Y CB 0.552 38.181 38.460 -1.385 0.000 1.229 330 Y HN 0.157 nan 8.280 nan 0.000 0.532 331 D N 5.530 125.295 120.400 -1.059 0.000 2.443 331 D HA 0.117 4.377 4.640 -0.634 0.000 0.221 331 D C 0.539 176.271 176.300 -0.946 0.000 1.097 331 D CA -0.119 53.447 54.000 -0.724 0.000 0.865 331 D CB 0.633 41.135 40.800 -0.496 0.000 1.034 331 D HN 0.781 nan 8.370 nan 0.000 0.511 332 E N 1.358 121.175 120.200 -0.639 0.000 2.171 332 E HA -0.229 3.741 4.350 -0.634 0.000 0.197 332 E C 1.639 178.091 176.600 -0.247 0.000 0.997 332 E CA 1.441 57.617 56.400 -0.374 0.000 0.810 332 E CB 0.066 29.731 29.700 -0.058 0.000 0.738 332 E HN 0.582 nan 8.360 nan 0.000 0.467 333 S N 0.088 115.655 115.700 -0.223 0.000 2.428 333 S HA -0.085 4.004 4.470 -0.634 0.000 0.230 333 S C 2.042 176.560 174.600 -0.136 0.000 1.014 333 S CA 1.360 59.479 58.200 -0.136 0.000 0.957 333 S CB -0.123 63.013 63.200 -0.105 0.000 0.784 333 S HN 0.343 nan 8.310 nan 0.000 0.499 334 T N -4.267 110.155 114.554 -0.220 0.000 3.003 334 T HA 0.546 4.515 4.350 -0.634 0.000 0.261 334 T C 1.557 176.144 174.700 -0.188 0.000 1.003 334 T CA 0.619 62.620 62.100 -0.166 0.000 0.917 334 T CB 0.105 68.875 68.868 -0.162 0.000 1.084 334 T HN 1.136 nan 8.240 nan 0.000 0.522 335 G N 2.394 110.972 108.800 -0.371 0.000 2.184 335 G HA2 -0.276 3.303 3.960 -0.634 0.000 0.264 335 G HA3 -0.276 3.303 3.960 -0.634 0.000 0.264 335 G C 0.232 174.902 174.900 -0.383 0.000 0.975 335 G CA 0.118 45.062 45.100 -0.260 0.000 0.642 335 G HN 0.709 nan 8.290 nan 0.000 0.536 336 R N -1.228 118.900 120.500 -0.621 0.000 2.560 336 R HA 0.460 4.420 4.340 -0.634 0.000 0.270 336 R C -0.611 175.112 176.300 -0.962 0.000 1.074 336 R CA -0.229 55.279 56.100 -0.987 0.000 1.140 336 R CB 0.573 30.454 30.300 -0.698 0.000 1.073 336 R HN 0.200 nan 8.270 nan 0.000 0.527 337 W N 1.878 122.676 121.300 -0.837 0.000 2.361 337 W HA 0.422 4.702 4.660 -0.633 0.000 0.314 337 W C -0.314 176.114 176.519 -0.152 0.000 1.041 337 W CA -0.312 56.879 57.345 -0.257 0.000 1.241 337 W CB 0.727 30.167 29.460 -0.033 0.000 1.279 337 W HN 0.296 nan 8.180 nan 0.000 0.436 338 I N 3.696 124.261 120.570 -0.008 0.000 2.392 338 I HA 0.358 4.148 4.170 -0.634 0.000 0.295 338 I C 0.626 176.778 176.117 0.059 0.000 0.985 338 I CA -0.625 60.682 61.300 0.012 0.000 1.221 338 I CB 1.332 39.293 38.000 -0.065 0.000 1.366 338 I HN 0.347 nan 8.210 nan 0.000 0.467 339 S N 3.862 119.597 115.700 0.059 0.000 2.638 339 S HA 0.816 4.905 4.470 -0.634 0.000 0.298 339 S C -0.370 174.242 174.600 0.019 0.000 1.111 339 S CA -0.591 57.636 58.200 0.045 0.000 1.027 339 S CB 1.887 65.112 63.200 0.042 0.000 1.064 339 S HN 0.708 nan 8.310 nan 0.000 0.525 340 S N 0.619 116.327 115.700 0.013 0.000 2.536 340 S HA 0.430 4.520 4.470 -0.634 0.000 0.271 340 S C 0.493 175.085 174.600 -0.013 0.000 1.134 340 S CA -0.707 57.493 58.200 0.000 0.000 0.897 340 S CB 1.023 64.226 63.200 0.005 0.000 1.094 340 S HN 0.647 nan 8.310 nan 0.000 0.473 341 V N 2.400 122.300 119.914 -0.024 0.000 2.469 341 V HA -0.163 3.576 4.120 -0.634 0.000 0.251 341 V C 2.908 178.965 176.094 -0.061 0.000 1.064 341 V CA 2.567 64.843 62.300 -0.040 0.000 1.066 341 V CB -1.425 30.377 31.823 -0.034 0.000 0.667 341 V HN 1.025 nan 8.190 nan 0.000 0.461 342 A N -0.508 122.288 122.820 -0.040 0.000 2.067 342 A HA -0.147 3.792 4.320 -0.634 0.000 0.219 342 A C 2.253 179.804 177.584 -0.054 0.000 1.158 342 A CA 1.308 53.321 52.037 -0.041 0.000 0.661 342 A CB -0.388 18.608 19.000 -0.006 0.000 0.801 342 A HN 0.489 nan 8.150 nan 0.000 0.452 343 R N -0.494 119.991 120.500 -0.025 0.000 2.388 343 R HA 0.181 4.140 4.340 -0.634 0.000 0.247 343 R C -0.277 175.996 176.300 -0.045 0.000 0.931 343 R CA -0.002 56.125 56.100 0.046 0.000 1.082 343 R CB 0.153 30.515 30.300 0.103 0.000 1.135 343 R HN 0.599 nan 8.270 nan 0.000 0.525 344 Q N -0.393 119.269 119.800 -0.229 0.000 2.245 344 Q HA 0.267 4.227 4.340 -0.634 0.000 0.256 344 Q C -1.176 174.515 176.000 -0.514 0.000 0.942 344 Q CA -0.516 55.162 55.803 -0.209 0.000 0.896 344 Q CB 1.887 30.569 28.738 -0.093 0.000 1.272 344 Q HN 0.228 nan 8.270 nan 0.000 0.442 345 H N 1.064 120.141 119.070 0.012 0.000 2.823 345 H HA 0.418 4.593 4.556 -0.635 0.000 0.332 345 H C -0.848 174.445 175.328 -0.058 0.000 0.980 345 H CA -0.388 55.660 56.048 0.001 0.000 1.286 345 H CB 1.012 30.762 29.762 -0.019 0.000 1.541 345 H HN 0.430 nan 8.280 nan 0.000 0.521 346 I N 2.046 122.614 120.570 -0.003 0.000 2.428 346 I HA 0.268 4.058 4.170 -0.634 0.000 0.296 346 I C 0.078 176.125 176.117 -0.116 0.000 0.985 346 I CA -0.291 60.923 61.300 -0.143 0.000 1.260 346 I CB 1.472 39.348 38.000 -0.207 0.000 1.389 346 I HN 0.584 nan 8.210 nan 0.000 0.484 347 E N 7.276 127.351 120.200 -0.208 0.000 2.260 347 E HA 0.561 4.530 4.350 -0.634 0.000 0.266 347 E C -1.472 175.026 176.600 -0.170 0.000 0.887 347 E CA -0.582 55.752 56.400 -0.110 0.000 0.777 347 E CB 2.023 31.699 29.700 -0.040 0.000 1.205 347 E HN 0.622 nan 8.360 nan 0.000 0.414 348 I N 0.178 120.685 120.570 -0.105 0.000 2.934 348 I HA 0.704 4.493 4.170 -0.634 0.000 0.306 348 I C -1.036 175.070 176.117 -0.020 0.000 1.110 348 I CA -0.823 60.438 61.300 -0.065 0.000 1.019 348 I CB 2.407 40.387 38.000 -0.033 0.000 1.227 348 I HN 0.338 nan 8.210 nan 0.000 0.434 349 S N 1.263 116.958 115.700 -0.009 0.000 2.647 349 S HA 0.420 4.510 4.470 -0.634 0.000 0.300 349 S C 0.454 175.032 174.600 -0.037 0.000 1.129 349 S CA 0.015 58.192 58.200 -0.038 0.000 1.029 349 S CB 1.235 64.376 63.200 -0.098 0.000 1.007 349 S HN 0.890 nan 8.310 nan 0.000 0.484 350 T N 0.225 114.759 114.554 -0.033 0.000 3.065 350 T HA 0.039 4.008 4.350 -0.634 0.000 0.252 350 T C 1.410 176.079 174.700 -0.051 0.000 1.099 350 T CA 0.960 63.044 62.100 -0.026 0.000 1.063 350 T CB -0.271 68.590 68.868 -0.012 0.000 0.948 350 T HN 0.662 nan 8.240 nan 0.000 0.506 351 T N -2.536 111.968 114.554 -0.084 0.000 3.044 351 T HA 0.646 4.615 4.350 -0.634 0.000 0.260 351 T C 0.983 175.507 174.700 -0.293 0.000 1.019 351 T CA 0.264 62.304 62.100 -0.100 0.000 0.921 351 T CB 0.585 69.446 68.868 -0.011 0.000 1.053 351 T HN 0.590 nan 8.240 nan 0.000 0.533 352 G N 0.654 109.160 108.800 -0.491 0.000 2.619 352 G HA2 0.484 4.063 3.960 -0.634 0.000 0.146 352 G HA3 0.484 4.063 3.960 -0.634 0.000 0.146 352 G C -1.811 172.865 174.900 -0.374 0.000 1.192 352 G CA -0.520 44.096 45.100 -0.805 0.000 1.063 352 G HN 0.513 nan 8.290 nan 0.000 0.538 353 W N -0.113 120.915 121.300 -0.453 0.000 2.671 353 W HA 0.795 5.076 4.660 -0.631 0.000 0.360 353 W C -0.493 175.986 176.519 -0.068 0.000 1.128 353 W CA -1.423 55.801 57.345 -0.200 0.000 1.184 353 W CB 1.159 30.488 29.460 -0.219 0.000 1.415 353 W HN 0.289 nan 8.180 nan 0.000 0.604 354 V N 3.524 123.515 119.914 0.128 0.000 2.530 354 V HA 0.608 4.347 4.120 -0.634 0.000 0.282 354 V C 0.932 177.108 176.094 0.136 0.000 1.048 354 V CA 0.858 63.200 62.300 0.070 0.000 0.997 354 V CB -0.046 31.823 31.823 0.077 0.000 0.987 354 V HN 1.289 nan 8.190 nan 0.000 0.477 355 G N 5.560 114.394 108.800 0.057 0.000 2.741 355 G HA2 -0.211 3.368 3.960 -0.634 0.000 0.222 355 G HA3 -0.211 3.368 3.960 -0.634 0.000 0.222 355 G C 0.434 175.412 174.900 0.130 0.000 1.364 355 G CA 0.345 45.501 45.100 0.094 0.000 0.866 355 G HN 0.623 nan 8.290 nan 0.000 0.555 356 R N -1.309 119.267 120.500 0.125 0.000 2.052 356 R HA 0.238 4.197 4.340 -0.634 0.000 0.224 356 R C 2.172 178.428 176.300 -0.073 0.000 1.149 356 R CA 1.969 58.085 56.100 0.026 0.000 0.962 356 R CB -0.098 30.214 30.300 0.019 0.000 0.856 356 R HN 0.442 nan 8.270 nan 0.000 0.433 357 F N -0.459 119.645 119.950 0.256 0.000 2.778 357 F HA 0.267 4.413 4.527 -0.634 0.000 0.314 357 F C 0.563 176.433 175.800 0.117 0.000 1.073 357 F CA -0.357 57.750 58.000 0.180 0.000 1.218 357 F CB 0.725 39.826 39.000 0.168 0.000 1.037 357 F HN -0.090 nan 8.300 nan 0.000 0.594 358 R N -0.423 120.250 120.500 0.289 0.000 2.712 358 R HA 0.400 4.359 4.340 -0.634 0.000 0.272 358 R C -3.332 173.069 176.300 0.168 0.000 1.032 358 R CA -1.814 54.401 56.100 0.192 0.000 0.874 358 R CB 0.571 30.969 30.300 0.163 0.000 1.256 358 R HN -0.352 nan 8.270 nan 0.000 0.468 359 P HA 0.049 nan 4.420 nan 0.000 0.269 359 P C -0.320 177.032 177.300 0.086 0.000 1.209 359 P CA 0.001 63.156 63.100 0.091 0.000 0.776 359 P CB 0.580 32.313 31.700 0.054 0.000 0.876 360 A N 2.926 125.799 122.820 0.089 0.000 2.425 360 A HA 0.142 4.081 4.320 -0.634 0.000 0.242 360 A C 0.581 178.207 177.584 0.070 0.000 1.077 360 A CA -0.219 51.882 52.037 0.107 0.000 0.781 360 A CB -0.151 18.922 19.000 0.122 0.000 1.020 360 A HN 0.497 nan 8.150 nan 0.000 0.494 361 E N 1.833 122.090 120.200 0.095 0.000 2.313 361 E HA 0.327 4.296 4.350 -0.634 0.000 0.272 361 E C -2.385 174.248 176.600 0.056 0.000 1.038 361 E CA -1.653 54.754 56.400 0.013 0.000 0.863 361 E CB 0.635 30.318 29.700 -0.028 0.000 1.060 361 E HN 0.465 nan 8.360 nan 0.000 0.402 362 P HA 0.169 nan 4.420 nan 0.000 0.279 362 P C -0.692 176.557 177.300 -0.085 0.000 1.239 362 P CA -0.086 62.913 63.100 -0.167 0.000 0.789 362 P CB 0.837 32.093 31.700 -0.740 0.000 0.933 363 H N 2.621 121.706 119.070 0.025 0.000 2.685 363 H HA 0.279 4.454 4.556 -0.635 0.000 0.307 363 H C -0.150 175.288 175.328 0.183 0.000 1.017 363 H CA -0.384 55.762 56.048 0.163 0.000 1.237 363 H CB 0.343 30.214 29.762 0.182 0.000 1.409 363 H HN 0.305 nan 8.280 nan 0.000 0.488 364 F N 1.654 121.750 119.950 0.244 0.000 2.380 364 F HA 0.073 4.219 4.527 -0.635 0.000 0.325 364 F C 1.587 177.549 175.800 0.269 0.000 1.136 364 F CA -0.443 57.717 58.000 0.267 0.000 1.171 364 F CB 0.876 39.967 39.000 0.152 0.000 1.230 364 F HN 0.351 nan 8.300 nan 0.000 0.554 365 T N -2.067 112.758 114.554 0.452 0.000 2.882 365 T HA 0.119 4.088 4.350 -0.634 0.000 0.287 365 T C 1.285 176.160 174.700 0.292 0.000 1.014 365 T CA -0.237 62.063 62.100 0.332 0.000 1.049 365 T CB 1.359 70.400 68.868 0.289 0.000 1.001 365 T HN 0.637 nan 8.240 nan 0.000 0.525 366 S N 0.941 116.772 115.700 0.218 0.000 2.380 366 S HA -0.227 3.862 4.470 -0.634 0.000 0.229 366 S C 1.630 176.336 174.600 0.176 0.000 1.043 366 S CA 2.130 60.438 58.200 0.181 0.000 1.038 366 S CB -0.997 62.289 63.200 0.143 0.000 0.872 366 S HN 0.892 nan 8.310 nan 0.000 0.456 367 D N -0.779 119.727 120.400 0.177 0.000 2.317 367 D HA 0.090 4.350 4.640 -0.634 0.000 0.211 367 D C 1.541 177.955 176.300 0.191 0.000 0.966 367 D CA 0.906 55.004 54.000 0.162 0.000 0.876 367 D CB -0.763 40.124 40.800 0.144 0.000 0.927 367 D HN 0.651 nan 8.370 nan 0.000 0.519 368 G N 1.453 110.410 108.800 0.261 0.000 2.148 368 G HA2 -0.352 3.227 3.960 -0.634 0.000 0.254 368 G HA3 -0.352 3.227 3.960 -0.634 0.000 0.254 368 G C 0.645 175.763 174.900 0.363 0.000 0.981 368 G CA 0.452 45.752 45.100 0.334 0.000 0.670 368 G HN 0.451 nan 8.290 nan 0.000 0.528 369 N N -0.119 118.750 118.700 0.281 0.000 2.463 369 N HA 0.292 4.652 4.740 -0.634 0.000 0.181 369 N C 0.981 176.622 175.510 0.219 0.000 1.078 369 N CA 0.768 53.953 53.050 0.226 0.000 0.902 369 N CB 0.199 38.781 38.487 0.157 0.000 0.970 369 N HN 0.720 nan 8.380 nan 0.000 0.451 370 S N -0.461 115.392 115.700 0.255 0.000 2.656 370 S HA 0.697 4.787 4.470 -0.634 0.000 0.273 370 S C -1.331 173.328 174.600 0.098 0.000 1.168 370 S CA -1.076 57.186 58.200 0.104 0.000 0.817 370 S CB 1.348 64.620 63.200 0.119 0.000 1.146 370 S HN 0.150 nan 8.310 nan 0.000 0.475 371 F N -1.941 117.825 119.950 -0.306 0.000 2.713 371 F HA 0.834 4.981 4.527 -0.634 0.000 0.311 371 F C -2.276 173.282 175.800 -0.403 0.000 1.141 371 F CA -1.462 56.256 58.000 -0.470 0.000 0.939 371 F CB 0.559 38.797 39.000 -1.270 0.000 1.325 371 F HN 0.618 nan 8.300 nan 0.000 0.453 372 Y N 1.103 121.501 120.300 0.163 0.000 2.429 372 Y HA 0.722 4.891 4.550 -0.635 0.000 0.342 372 Y C -0.349 175.683 175.900 0.220 0.000 1.004 372 Y CA -0.979 57.195 58.100 0.123 0.000 1.075 372 Y CB 2.308 40.781 38.460 0.022 0.000 1.214 372 Y HN 0.780 nan 8.280 nan 0.000 0.455 373 K N 2.633 123.224 120.400 0.318 0.000 2.557 373 K HA 0.489 4.428 4.320 -0.634 0.000 0.261 373 K C -1.870 174.850 176.600 0.201 0.000 0.932 373 K CA -0.536 55.908 56.287 0.262 0.000 0.829 373 K CB 1.562 34.195 32.500 0.221 0.000 1.358 373 K HN 0.733 nan 8.250 nan 0.000 0.430 374 I N 6.215 126.874 120.570 0.149 0.000 2.471 374 I HA 0.240 4.029 4.170 -0.634 0.000 0.286 374 I C 0.286 176.487 176.117 0.140 0.000 1.079 374 I CA -0.200 61.172 61.300 0.121 0.000 1.398 374 I CB 0.257 38.305 38.000 0.081 0.000 1.403 374 I HN 0.497 nan 8.210 nan 0.000 0.530 375 I N 1.565 122.249 120.570 0.189 0.000 3.095 375 I HA 0.495 4.284 4.170 -0.634 0.000 0.310 375 I C -0.412 175.827 176.117 0.204 0.000 1.196 375 I CA -0.838 60.574 61.300 0.187 0.000 0.985 375 I CB 2.154 40.290 38.000 0.225 0.000 1.250 375 I HN 0.215 nan 8.210 nan 0.000 0.446 376 S N 2.881 118.645 115.700 0.107 0.000 2.531 376 S HA 0.182 4.272 4.470 -0.634 0.000 0.279 376 S C 0.211 174.832 174.600 0.035 0.000 1.305 376 S CA -0.333 57.875 58.200 0.013 0.000 1.058 376 S CB -0.063 63.094 63.200 -0.072 0.000 0.899 376 S HN 0.613 nan 8.310 nan 0.000 0.493 377 N N 1.784 120.400 118.700 -0.140 0.000 2.235 377 N HA 0.007 4.366 4.740 -0.634 0.000 0.231 377 N C 0.996 176.374 175.510 -0.220 0.000 1.330 377 N CA 0.005 52.816 53.050 -0.399 0.000 0.898 377 N CB 0.317 38.632 38.487 -0.286 0.000 1.151 377 N HN 0.515 nan 8.380 nan 0.000 0.472 378 E N 0.457 120.510 120.200 -0.244 0.000 2.274 378 E HA -0.051 3.918 4.350 -0.634 0.000 0.194 378 E C 0.668 177.199 176.600 -0.115 0.000 0.996 378 E CA 0.999 57.323 56.400 -0.127 0.000 0.840 378 E CB 0.035 29.668 29.700 -0.112 0.000 0.772 378 E HN 0.598 nan 8.360 nan 0.000 0.491 379 E N -0.611 119.516 120.200 -0.122 0.000 2.479 379 E HA 0.162 4.131 4.350 -0.634 0.000 0.193 379 E C 0.729 177.233 176.600 -0.161 0.000 1.049 379 E CA 0.309 56.671 56.400 -0.064 0.000 0.870 379 E CB 0.407 30.143 29.700 0.059 0.000 0.944 379 E HN 0.313 nan 8.360 nan 0.000 0.492 380 G N 0.921 109.594 108.800 -0.213 0.000 2.176 380 G HA2 -0.296 3.283 3.960 -0.634 0.000 0.253 380 G HA3 -0.296 3.283 3.960 -0.634 0.000 0.253 380 G C -0.239 174.381 174.900 -0.467 0.000 0.979 380 G CA -0.100 44.789 45.100 -0.351 0.000 0.641 380 G HN 0.267 nan 8.290 nan 0.000 0.530 381 Y N 1.003 121.188 120.300 -0.191 0.000 2.323 381 Y HA 0.546 4.716 4.550 -0.634 0.000 0.331 381 Y C 0.869 176.627 175.900 -0.236 0.000 1.092 381 Y CA -0.833 57.143 58.100 -0.207 0.000 1.150 381 Y CB 1.014 39.371 38.460 -0.171 0.000 1.200 381 Y HN -0.172 nan 8.280 nan 0.000 0.472 382 K N 4.685 124.983 120.400 -0.171 0.000 2.349 382 K HA 0.179 4.118 4.320 -0.634 0.000 0.289 382 K C -0.564 175.770 176.600 -0.444 0.000 1.064 382 K CA 0.147 56.322 56.287 -0.187 0.000 0.947 382 K CB -0.033 32.395 32.500 -0.120 0.000 1.007 382 K HN 0.728 nan 8.250 nan 0.000 0.478 383 H N 1.308 120.353 119.070 -0.043 0.000 2.946 383 H HA 0.389 4.565 4.556 -0.634 0.000 0.365 383 H C 0.055 175.436 175.328 0.089 0.000 1.197 383 H CA -0.949 55.047 56.048 -0.086 0.000 1.131 383 H CB 1.663 31.279 29.762 -0.243 0.000 1.849 383 H HN 0.334 nan 8.280 nan 0.000 0.555 384 I N 1.383 122.016 120.570 0.105 0.000 2.471 384 I HA 0.010 3.799 4.170 -0.634 0.000 0.286 384 I C 0.431 176.568 176.117 0.033 0.000 1.079 384 I CA 0.254 61.579 61.300 0.043 0.000 1.398 384 I CB 0.255 38.191 38.000 -0.106 0.000 1.403 384 I HN 0.148 nan 8.210 nan 0.000 0.530 385 c N 6.782 125.327 118.600 -0.090 0.000 2.411 385 c HA 0.339 4.529 4.570 -0.634 0.000 0.330 385 c C -0.016 173.877 174.090 -0.327 0.000 1.224 385 c CA -0.434 55.596 56.329 -0.498 0.000 1.770 385 c CB 0.742 42.654 42.510 -0.997 0.000 2.297 385 c HN 0.769 nan 8.230 nan 0.000 0.507 386 H N 3.845 122.544 119.070 -0.617 0.000 2.552 386 H HA 0.516 4.692 4.556 -0.635 0.000 0.311 386 H C -1.348 173.467 175.328 -0.855 0.000 1.071 386 H CA -0.301 55.309 56.048 -0.730 0.000 1.307 386 H CB 0.541 29.984 29.762 -0.533 0.000 1.416 386 H HN 0.577 nan 8.280 nan 0.000 0.464 387 F N 2.424 121.720 119.950 -1.090 0.000 2.492 387 F HA 0.230 4.376 4.527 -0.634 0.000 0.327 387 F C 0.057 175.205 175.800 -1.086 0.000 1.079 387 F CA -0.901 56.369 58.000 -1.217 0.000 0.967 387 F CB 1.817 39.670 39.000 -1.912 0.000 1.169 387 F HN 0.469 nan 8.300 nan 0.000 0.472 388 Q N 1.161 120.661 119.800 -0.499 0.000 2.256 388 Q HA 0.225 4.184 4.340 -0.634 0.000 0.254 388 Q C 0.928 176.905 176.000 -0.039 0.000 0.916 388 Q CA -0.063 55.586 55.803 -0.258 0.000 0.932 388 Q CB 1.633 30.271 28.738 -0.167 0.000 1.207 388 Q HN 0.753 nan 8.270 nan 0.000 0.426 389 T N 1.244 115.865 114.554 0.112 0.000 2.778 389 T HA -0.182 3.787 4.350 -0.634 0.000 0.269 389 T C 0.582 175.523 174.700 0.401 0.000 1.050 389 T CA 2.003 64.319 62.100 0.359 0.000 1.137 389 T CB -0.012 69.091 68.868 0.393 0.000 0.860 389 T HN 0.608 nan 8.240 nan 0.000 0.468 390 D N -0.468 120.069 120.400 0.229 0.000 2.462 390 D HA 0.160 4.419 4.640 -0.634 0.000 0.221 390 D C 0.154 176.516 176.300 0.104 0.000 1.173 390 D CA -0.280 53.814 54.000 0.157 0.000 0.831 390 D CB 0.262 41.120 40.800 0.097 0.000 1.001 390 D HN 0.023 nan 8.370 nan 0.000 0.499 391 K N -0.032 120.457 120.400 0.149 0.000 2.375 391 K HA 0.330 4.269 4.320 -0.634 0.000 0.249 391 K C 0.763 177.447 176.600 0.140 0.000 0.942 391 K CA -0.466 55.863 56.287 0.069 0.000 0.806 391 K CB 2.039 34.531 32.500 -0.013 0.000 1.227 391 K HN 0.012 nan 8.250 nan 0.000 0.430 392 S N 0.600 116.331 115.700 0.051 0.000 2.425 392 S HA 0.009 4.098 4.470 -0.634 0.000 0.225 392 S C 0.449 175.084 174.600 0.059 0.000 1.024 392 S CA 0.342 58.592 58.200 0.083 0.000 0.951 392 S CB -0.126 63.077 63.200 0.005 0.000 0.796 392 S HN 0.526 nan 8.310 nan 0.000 0.498 393 N N 1.563 120.226 118.700 -0.062 0.000 2.499 393 N HA 0.486 4.846 4.740 -0.634 0.000 0.281 393 N C -0.176 175.099 175.510 -0.391 0.000 1.098 393 N CA -0.165 52.777 53.050 -0.181 0.000 0.979 393 N CB 1.208 39.605 38.487 -0.151 0.000 1.121 393 N HN 0.629 nan 8.380 nan 0.000 0.466 394 c N -0.643 117.571 118.600 -0.643 0.000 2.668 394 c HA 0.821 5.011 4.570 -0.634 0.000 0.355 394 c C -0.171 173.490 174.090 -0.715 0.000 1.277 394 c CA -0.700 55.011 56.329 -1.032 0.000 1.787 394 c CB 1.237 42.456 42.510 -2.152 0.000 2.233 394 c HN 0.555 nan 8.230 nan 0.000 0.495 395 T N 1.602 115.758 114.554 -0.664 0.000 2.840 395 T HA 0.495 4.464 4.350 -0.634 0.000 0.287 395 T C -0.819 173.644 174.700 -0.395 0.000 0.991 395 T CA 0.126 62.004 62.100 -0.371 0.000 0.964 395 T CB 0.459 69.247 68.868 -0.134 0.000 0.954 395 T HN 0.487 nan 8.240 nan 0.000 0.438 396 F N 3.108 122.935 119.950 -0.206 0.000 2.484 396 F HA 0.256 4.402 4.527 -0.635 0.000 0.360 396 F C 1.642 177.270 175.800 -0.288 0.000 1.101 396 F CA -0.677 57.188 58.000 -0.225 0.000 1.251 396 F CB 0.463 39.338 39.000 -0.209 0.000 1.132 396 F HN 0.595 nan 8.300 nan 0.000 0.570 397 I N -0.831 119.594 120.570 -0.243 0.000 4.057 397 I HA 0.244 4.033 4.170 -0.634 0.000 0.334 397 I C 0.183 176.109 176.117 -0.318 0.000 1.308 397 I CA 0.103 61.009 61.300 -0.656 0.000 1.125 397 I CB 0.147 37.472 38.000 -1.124 0.000 1.034 397 I HN 0.488 nan 8.210 nan 0.000 0.401 398 T N 0.129 114.572 114.554 -0.184 0.000 2.906 398 T HA 0.721 4.690 4.350 -0.634 0.000 0.295 398 T C -0.749 173.601 174.700 -0.583 0.000 1.075 398 T CA -0.703 61.278 62.100 -0.199 0.000 1.005 398 T CB 2.645 71.464 68.868 -0.082 0.000 1.136 398 T HN 0.328 nan 8.240 nan 0.000 0.498 399 K N -0.026 119.844 120.400 -0.882 0.000 2.597 399 K HA 0.789 4.728 4.320 -0.634 0.000 0.282 399 K C -0.442 175.468 176.600 -1.150 0.000 0.975 399 K CA -0.576 54.889 56.287 -1.369 0.000 0.867 399 K CB 1.405 33.506 32.500 -0.665 0.000 1.465 399 K HN 1.810 nan 8.250 nan 0.000 0.417 400 G N -0.691 107.469 108.800 -1.067 0.000 2.326 400 G HA2 0.388 3.967 3.960 -0.634 0.000 0.413 400 G HA3 0.388 3.967 3.960 -0.634 0.000 0.413 400 G C -1.220 173.115 174.900 -0.942 0.000 1.444 400 G CA -0.333 44.317 45.100 -0.750 0.000 1.002 400 G HN 0.931 nan 8.290 nan 0.000 0.649 401 A N 1.302 123.725 122.820 -0.661 0.000 3.077 401 A HA 0.618 4.557 4.320 -0.634 0.000 0.255 401 A C 0.351 177.643 177.584 -0.486 0.000 1.728 401 A CA 0.761 52.165 52.037 -1.055 0.000 1.383 401 A CB -1.243 17.493 19.000 -0.439 0.000 1.097 401 A HN 1.794 nan 8.150 nan 0.000 0.634 402 W N -0.955 120.047 121.300 -0.496 0.000 2.926 402 W HA 0.609 4.888 4.660 -0.635 0.000 0.361 402 W C -1.242 175.229 176.519 -0.081 0.000 1.195 402 W CA -0.767 56.506 57.345 -0.121 0.000 1.177 402 W CB 0.336 29.756 29.460 -0.068 0.000 1.453 402 W HN 0.248 nan 8.180 nan 0.000 0.571 403 E N 0.768 121.164 120.200 0.327 0.000 2.343 403 E HA 0.459 4.428 4.350 -0.634 0.000 0.270 403 E C -1.207 175.510 176.600 0.195 0.000 0.895 403 E CA -1.156 55.241 56.400 -0.006 0.000 0.767 403 E CB 3.403 33.139 29.700 0.061 0.000 1.248 403 E HN 0.167 nan 8.360 nan 0.000 0.440 404 V N 3.674 123.559 119.914 -0.048 0.000 2.530 404 V HA 0.028 3.767 4.120 -0.634 0.000 0.282 404 V C 1.128 177.302 176.094 0.133 0.000 1.048 404 V CA -0.060 62.304 62.300 0.106 0.000 0.997 404 V CB 0.727 32.494 31.823 -0.094 0.000 0.987 404 V HN 0.692 nan 8.190 nan 0.000 0.477 405 I N 3.044 123.732 120.570 0.198 0.000 2.400 405 I HA 0.264 4.053 4.170 -0.634 0.000 0.248 405 I C 1.101 177.331 176.117 0.189 0.000 1.109 405 I CA 1.161 62.582 61.300 0.203 0.000 1.425 405 I CB -0.730 37.349 38.000 0.132 0.000 1.094 405 I HN 0.755 nan 8.210 nan 0.000 0.425 406 G N 0.634 109.540 108.800 0.177 0.000 2.579 406 G HA2 0.520 4.099 3.960 -0.634 0.000 0.292 406 G HA3 0.520 4.099 3.960 -0.634 0.000 0.292 406 G C -1.292 173.679 174.900 0.119 0.000 1.484 406 G CA -0.578 44.611 45.100 0.149 0.000 0.813 406 G HN -0.048 nan 8.290 nan 0.000 0.515 407 I N 1.495 122.050 120.570 -0.024 0.000 2.325 407 I HA 0.250 4.039 4.170 -0.634 0.000 0.291 407 I C 0.817 176.880 176.117 -0.090 0.000 1.019 407 I CA -0.515 60.685 61.300 -0.167 0.000 1.302 407 I CB 1.807 39.429 38.000 -0.630 0.000 1.401 407 I HN 0.534 nan 8.210 nan 0.000 0.485 408 E N 4.759 124.972 120.200 0.020 0.000 2.251 408 E HA 0.281 4.250 4.350 -0.634 0.000 0.194 408 E C 0.138 176.711 176.600 -0.045 0.000 0.964 408 E CA 0.267 56.712 56.400 0.074 0.000 0.868 408 E CB 0.905 30.704 29.700 0.166 0.000 0.828 408 E HN 0.712 nan 8.360 nan 0.000 0.481 409 A N 0.623 123.332 122.820 -0.186 0.000 2.605 409 A HA 0.586 4.526 4.320 -0.634 0.000 0.294 409 A C -1.957 175.578 177.584 -0.080 0.000 1.062 409 A CA -0.625 51.258 52.037 -0.255 0.000 0.682 409 A CB 1.352 19.786 19.000 -0.943 0.000 1.278 409 A HN 0.045 nan 8.150 nan 0.000 0.410 410 L N 1.328 122.548 121.223 -0.004 0.000 2.464 410 L HA 0.859 4.818 4.340 -0.634 0.000 0.266 410 L C 0.058 176.967 176.870 0.065 0.000 0.965 410 L CA 0.491 55.343 54.840 0.021 0.000 0.833 410 L CB 2.245 44.335 42.059 0.051 0.000 1.296 410 L HN 1.241 nan 8.230 nan 0.000 0.405 411 T N -0.504 114.096 114.554 0.077 0.000 2.858 411 T HA 0.413 4.382 4.350 -0.634 0.000 0.285 411 T C 0.961 175.698 174.700 0.061 0.000 1.052 411 T CA 0.041 62.203 62.100 0.103 0.000 1.009 411 T CB 1.175 70.147 68.868 0.174 0.000 1.241 411 T HN 0.664 nan 8.240 nan 0.000 0.542 412 S N -0.305 115.432 115.700 0.061 0.000 2.469 412 S HA -0.082 4.008 4.470 -0.634 0.000 0.238 412 S C 0.699 175.268 174.600 -0.051 0.000 0.998 412 S CA 1.106 59.324 58.200 0.029 0.000 0.957 412 S CB -0.462 62.762 63.200 0.040 0.000 0.764 412 S HN 0.751 nan 8.310 nan 0.000 0.514 413 D N -1.058 119.276 120.400 -0.110 0.000 2.473 413 D HA 0.253 4.512 4.640 -0.634 0.000 0.242 413 D C -0.483 175.427 176.300 -0.649 0.000 1.106 413 D CA 0.321 54.085 54.000 -0.393 0.000 0.854 413 D CB 0.408 40.891 40.800 -0.528 0.000 1.192 413 D HN 0.435 nan 8.370 nan 0.000 0.503 414 Y N 0.169 120.408 120.300 -0.102 0.000 2.576 414 Y HA 0.496 4.666 4.550 -0.634 0.000 0.346 414 Y C -0.536 175.189 175.900 -0.291 0.000 1.018 414 Y CA -1.235 56.725 58.100 -0.232 0.000 1.050 414 Y CB 2.311 40.558 38.460 -0.354 0.000 1.280 414 Y HN -0.270 nan 8.280 nan 0.000 0.474 415 L N 2.586 123.675 121.223 -0.224 0.000 2.376 415 L HA 0.526 4.485 4.340 -0.634 0.000 0.275 415 L C -2.095 174.605 176.870 -0.282 0.000 0.987 415 L CA -0.981 53.713 54.840 -0.244 0.000 0.828 415 L CB 0.778 42.635 42.059 -0.336 0.000 1.249 415 L HN 0.674 nan 8.230 nan 0.000 0.409 416 Y N 5.849 126.044 120.300 -0.175 0.000 2.330 416 Y HA 0.585 4.754 4.550 -0.634 0.000 0.336 416 Y C -0.151 175.716 175.900 -0.056 0.000 1.036 416 Y CA -0.269 57.703 58.100 -0.214 0.000 1.125 416 Y CB 1.453 39.602 38.460 -0.518 0.000 1.194 416 Y HN 0.578 nan 8.280 nan 0.000 0.469 417 Y N 0.275 120.613 120.300 0.062 0.000 2.625 417 Y HA 0.803 4.972 4.550 -0.635 0.000 0.338 417 Y C -1.664 174.319 175.900 0.139 0.000 1.123 417 Y CA -2.012 56.127 58.100 0.065 0.000 1.046 417 Y CB 1.148 39.621 38.460 0.022 0.000 1.299 417 Y HN 0.386 nan 8.280 nan 0.000 0.464 418 I N 2.992 123.754 120.570 0.321 0.000 2.412 418 I HA 0.637 4.426 4.170 -0.634 0.000 0.296 418 I C -0.371 175.950 176.117 0.341 0.000 0.987 418 I CA -0.544 60.896 61.300 0.234 0.000 1.180 418 I CB 1.963 40.052 38.000 0.148 0.000 1.340 418 I HN 0.870 nan 8.210 nan 0.000 0.455 419 S N 3.403 119.270 115.700 0.280 0.000 2.625 419 S HA 0.381 4.470 4.470 -0.634 0.000 0.271 419 S C -0.651 174.018 174.600 0.114 0.000 1.161 419 S CA -0.897 57.445 58.200 0.238 0.000 0.820 419 S CB 1.782 65.139 63.200 0.261 0.000 1.137 419 S HN 0.653 nan 8.310 nan 0.000 0.470 420 N N -0.031 118.729 118.700 0.101 0.000 2.380 420 N HA 0.148 4.508 4.740 -0.634 0.000 0.255 420 N C 0.537 176.026 175.510 -0.034 0.000 1.158 420 N CA -0.242 52.825 53.050 0.028 0.000 0.878 420 N CB 0.311 38.812 38.487 0.024 0.000 1.138 420 N HN 0.836 nan 8.380 nan 0.000 0.509 421 E N 0.242 120.269 120.200 -0.289 0.000 2.072 421 E HA -0.228 3.741 4.350 -0.634 0.000 0.191 421 E C -0.132 176.300 176.600 -0.280 0.000 0.985 421 E CA 0.375 56.339 56.400 -0.726 0.000 0.801 421 E CB -0.157 28.468 29.700 -1.792 0.000 0.750 421 E HN 0.499 nan 8.360 nan 0.000 0.452 422 H N 1.033 120.012 119.070 -0.151 0.000 3.157 422 H HA -0.044 4.131 4.556 -0.635 0.000 0.299 422 H C 0.079 175.376 175.328 -0.051 0.000 0.961 422 H CA 1.075 57.087 56.048 -0.061 0.000 1.428 422 H CB 0.216 29.970 29.762 -0.012 0.000 1.459 422 H HN 0.087 nan 8.280 nan 0.000 0.566 423 K N 3.079 123.213 120.400 -0.443 0.000 3.349 423 K HA -0.188 3.751 4.320 -0.634 0.000 0.310 423 K C 0.997 177.549 176.600 -0.081 0.000 1.267 423 K CA 1.250 57.355 56.287 -0.303 0.000 0.920 423 K CB -1.571 30.722 32.500 -0.345 0.000 1.240 423 K HN 1.107 nan 8.250 nan 0.000 0.453 424 G N 0.389 109.157 108.800 -0.054 0.000 2.258 424 G HA2 -0.351 3.228 3.960 -0.634 0.000 0.274 424 G HA3 -0.351 3.228 3.960 -0.634 0.000 0.274 424 G C 0.042 174.986 174.900 0.073 0.000 1.021 424 G CA 0.855 45.985 45.100 0.051 0.000 0.798 424 G HN 0.533 nan 8.290 nan 0.000 0.507 425 M N -1.190 118.358 119.600 -0.087 0.000 2.066 425 M HA 0.503 4.602 4.480 -0.634 0.000 0.340 425 M C -1.417 174.657 176.300 -0.376 0.000 1.053 425 M CA -2.343 52.715 55.300 -0.405 0.000 0.983 425 M CB 2.005 34.291 32.600 -0.523 0.000 1.520 425 M HN -0.099 nan 8.290 nan 0.000 0.428 426 P HA -0.070 nan 4.420 nan 0.000 0.222 426 P C 1.155 178.338 177.300 -0.196 0.000 1.147 426 P CA 1.574 64.559 63.100 -0.192 0.000 0.790 426 P CB -0.026 31.627 31.700 -0.077 0.000 0.780 427 G N -0.591 108.009 108.800 -0.333 0.000 3.088 427 G HA2 0.251 3.831 3.960 -0.634 0.000 0.212 427 G HA3 0.251 3.831 3.960 -0.634 0.000 0.212 427 G C 0.725 175.632 174.900 0.012 0.000 1.173 427 G CA 0.157 45.181 45.100 -0.126 0.000 0.779 427 G HN 0.441 nan 8.290 nan 0.000 0.540 428 G N -0.344 108.402 108.800 -0.090 0.000 2.471 428 G HA2 0.664 4.243 3.960 -0.634 0.000 0.332 428 G HA3 0.664 4.243 3.960 -0.634 0.000 0.332 428 G C -0.820 173.968 174.900 -0.188 0.000 1.176 428 G CA -0.799 44.283 45.100 -0.031 0.000 0.949 428 G HN 0.101 nan 8.290 nan 0.000 0.488 429 R N 0.829 121.193 120.500 -0.226 0.000 2.564 429 R HA 0.418 4.378 4.340 -0.634 0.000 0.284 429 R C -1.389 174.909 176.300 -0.004 0.000 1.031 429 R CA -0.820 55.135 56.100 -0.242 0.000 0.904 429 R CB 2.270 32.190 30.300 -0.634 0.000 1.199 429 R HN 0.582 nan 8.270 nan 0.000 0.443 430 N N 1.445 120.157 118.700 0.020 0.000 2.329 430 N HA 0.342 4.701 4.740 -0.634 0.000 0.282 430 N C -1.343 174.051 175.510 -0.192 0.000 1.198 430 N CA -0.800 52.175 53.050 -0.125 0.000 0.790 430 N CB 2.697 41.017 38.487 -0.279 0.000 1.579 430 N HN 0.273 nan 8.380 nan 0.000 0.475 431 L N 2.046 123.001 121.223 -0.446 0.000 2.305 431 L HA 0.480 4.439 4.340 -0.634 0.000 0.281 431 L C -1.405 175.091 176.870 -0.624 0.000 1.085 431 L CA 0.077 54.689 54.840 -0.380 0.000 0.813 431 L CB -0.013 41.809 42.059 -0.395 0.000 1.157 431 L HN 0.416 nan 8.230 nan 0.000 0.436 432 Y N 3.984 123.955 120.300 -0.549 0.000 2.545 432 Y HA 0.653 4.823 4.550 -0.635 0.000 0.348 432 Y C -0.292 175.232 175.900 -0.626 0.000 1.002 432 Y CA -0.830 56.869 58.100 -0.669 0.000 1.039 432 Y CB 1.677 39.506 38.460 -1.051 0.000 1.271 432 Y HN 0.513 nan 8.280 nan 0.000 0.467 433 R N 2.854 123.170 120.500 -0.305 0.000 2.561 433 R HA 0.690 4.649 4.340 -0.634 0.000 0.297 433 R C -1.980 174.233 176.300 -0.145 0.000 0.969 433 R CA -0.615 55.230 56.100 -0.426 0.000 0.879 433 R CB 1.580 31.525 30.300 -0.591 0.000 1.178 433 R HN 0.893 nan 8.270 nan 0.000 0.445 434 I N 3.044 123.583 120.570 -0.052 0.000 2.509 434 I HA 0.247 4.037 4.170 -0.634 0.000 0.293 434 I C -0.690 175.482 176.117 0.092 0.000 1.020 434 I CA -0.823 60.536 61.300 0.099 0.000 1.088 434 I CB 2.106 40.224 38.000 0.195 0.000 1.267 434 I HN 0.706 nan 8.210 nan 0.000 0.430 435 Q N 5.070 124.940 119.800 0.116 0.000 2.296 435 Q HA 0.133 4.093 4.340 -0.634 0.000 0.262 435 Q C 0.095 176.089 176.000 -0.011 0.000 0.981 435 Q CA -0.481 55.309 55.803 -0.023 0.000 0.905 435 Q CB 1.300 30.016 28.738 -0.036 0.000 1.186 435 Q HN 0.741 nan 8.270 nan 0.000 0.399 436 L N 3.604 124.756 121.223 -0.120 0.000 2.353 436 L HA -0.174 3.785 4.340 -0.634 0.000 0.220 436 L C 1.205 178.052 176.870 -0.038 0.000 1.133 436 L CA 1.480 56.315 54.840 -0.010 0.000 0.798 436 L CB -0.648 41.355 42.059 -0.093 0.000 0.922 436 L HN 0.726 nan 8.230 nan 0.000 0.445 437 N N -2.744 115.869 118.700 -0.146 0.000 2.234 437 N HA 0.094 4.454 4.740 -0.634 0.000 0.227 437 N C -0.499 174.858 175.510 -0.255 0.000 1.151 437 N CA -0.042 52.889 53.050 -0.197 0.000 0.865 437 N CB 0.323 38.723 38.487 -0.144 0.000 1.066 437 N HN 0.025 nan 8.380 nan 0.000 0.515 438 D N -0.033 120.208 120.400 -0.264 0.000 2.492 438 D HA 0.014 4.273 4.640 -0.634 0.000 0.229 438 D C -0.572 175.695 176.300 -0.054 0.000 1.345 438 D CA -0.391 53.481 54.000 -0.213 0.000 0.912 438 D CB -0.251 40.488 40.800 -0.102 0.000 1.526 438 D HN -0.051 nan 8.370 nan 0.000 0.505 439 Y N 0.817 121.116 120.300 -0.002 0.000 2.716 439 Y HA -0.017 4.152 4.550 -0.634 0.000 0.302 439 Y C 2.316 178.233 175.900 0.028 0.000 1.160 439 Y CA 0.630 58.739 58.100 0.015 0.000 1.362 439 Y CB -0.638 37.832 38.460 0.017 0.000 0.988 439 Y HN 0.253 nan 8.280 nan 0.000 0.546 440 T N -0.660 113.969 114.554 0.126 0.000 2.985 440 T HA -0.039 3.930 4.350 -0.634 0.000 0.266 440 T C 0.764 175.515 174.700 0.086 0.000 1.076 440 T CA 0.590 62.742 62.100 0.088 0.000 1.135 440 T CB -0.085 68.806 68.868 0.039 0.000 0.890 440 T HN 0.183 nan 8.240 nan 0.000 0.480 441 K N 2.110 122.561 120.400 0.085 0.000 2.231 441 K HA 0.462 4.401 4.320 -0.634 0.000 0.275 441 K C -1.153 175.512 176.600 0.108 0.000 1.105 441 K CA -0.201 56.134 56.287 0.081 0.000 0.931 441 K CB 1.268 33.807 32.500 0.065 0.000 1.296 441 K HN -0.010 nan 8.250 nan 0.000 0.446 442 V N 2.499 122.476 119.914 0.105 0.000 2.569 442 V HA 0.357 4.096 4.120 -0.634 0.000 0.301 442 V C -1.025 175.123 176.094 0.090 0.000 1.044 442 V CA -0.302 62.070 62.300 0.121 0.000 0.874 442 V CB 1.925 33.858 31.823 0.183 0.000 1.002 442 V HN 0.698 nan 8.190 nan 0.000 0.424 443 T N 5.835 120.408 114.554 0.032 0.000 2.855 443 T HA 0.399 4.368 4.350 -0.634 0.000 0.281 443 T C -0.481 174.143 174.700 -0.127 0.000 1.007 443 T CA -0.362 61.719 62.100 -0.032 0.000 1.009 443 T CB 0.976 69.801 68.868 -0.073 0.000 0.983 443 T HN 1.014 nan 8.240 nan 0.000 0.455 444 C N 7.058 126.210 119.300 -0.248 0.000 2.303 444 C HA 0.478 4.558 4.460 -0.634 0.000 0.341 444 C C 1.698 176.369 174.990 -0.532 0.000 1.244 444 C CA -0.715 57.885 59.018 -0.698 0.000 1.765 444 C CB -1.889 25.351 27.740 -0.834 0.000 2.379 444 C HN 1.004 nan 8.230 nan 0.000 0.530 445 L N 4.574 125.467 121.223 -0.549 0.000 2.341 445 L HA 0.043 4.003 4.340 -0.634 0.000 0.214 445 L C 2.256 178.837 176.870 -0.481 0.000 1.115 445 L CA 1.198 55.796 54.840 -0.403 0.000 0.820 445 L CB -0.324 41.533 42.059 -0.336 0.000 0.944 445 L HN 0.887 nan 8.230 nan 0.000 0.452 446 S N -2.966 112.327 115.700 -0.678 0.000 2.520 446 S HA -0.010 4.079 4.470 -0.634 0.000 0.219 446 S C 1.921 176.156 174.600 -0.608 0.000 1.028 446 S CA -0.127 57.579 58.200 -0.823 0.000 0.921 446 S CB -0.353 61.920 63.200 -1.545 0.000 0.844 446 S HN 0.299 nan 8.310 nan 0.000 0.495 447 C N 2.252 121.181 119.300 -0.618 0.000 2.363 447 C HA -0.073 4.006 4.460 -0.634 0.000 0.274 447 C C 2.506 177.296 174.990 -0.334 0.000 1.183 447 C CA 1.547 60.184 59.018 -0.635 0.000 1.771 447 C CB -1.102 26.087 27.740 -0.917 0.000 2.059 447 C HN 0.585 nan 8.230 nan 0.000 0.455 448 E N 0.039 120.091 120.200 -0.248 0.000 2.474 448 E HA 0.170 4.140 4.350 -0.634 0.000 0.195 448 E C 1.898 178.461 176.600 -0.061 0.000 1.039 448 E CA -0.044 56.289 56.400 -0.112 0.000 0.881 448 E CB -0.256 29.389 29.700 -0.091 0.000 0.970 448 E HN 0.572 nan 8.360 nan 0.000 0.486 449 L N -0.131 121.051 121.223 -0.068 0.000 2.012 449 L HA -0.144 3.815 4.340 -0.634 0.000 0.210 449 L C 0.045 176.933 176.870 0.030 0.000 1.073 449 L CA 1.203 56.040 54.840 -0.006 0.000 0.748 449 L CB -0.195 41.874 42.059 0.017 0.000 0.891 449 L HN 0.087 nan 8.230 nan 0.000 0.431 450 N N -1.940 116.794 118.700 0.057 0.000 2.785 450 N HA 0.085 4.444 4.740 -0.634 0.000 0.224 450 N C -2.053 173.485 175.510 0.047 0.000 1.448 450 N CA -0.584 52.489 53.050 0.039 0.000 0.748 450 N CB 1.071 39.574 38.487 0.026 0.000 1.385 450 N HN -0.109 nan 8.380 nan 0.000 0.538 451 P HA -0.228 nan 4.420 nan 0.000 0.216 451 P C 0.402 177.737 177.300 0.058 0.000 1.154 451 P CA 1.632 64.772 63.100 0.067 0.000 0.865 451 P CB 0.521 32.262 31.700 0.068 0.000 0.789 452 E N -0.624 119.594 120.200 0.029 0.000 2.250 452 E HA -0.047 3.923 4.350 -0.634 0.000 0.192 452 E C 2.247 178.846 176.600 -0.002 0.000 0.986 452 E CA 0.426 56.836 56.400 0.017 0.000 0.849 452 E CB -0.358 29.346 29.700 0.006 0.000 0.797 452 E HN 0.361 nan 8.360 nan 0.000 0.482 453 R N 0.076 120.565 120.500 -0.019 0.000 2.173 453 R HA 0.086 4.045 4.340 -0.634 0.000 0.208 453 R C -0.085 176.165 176.300 -0.083 0.000 1.035 453 R CA 0.517 56.584 56.100 -0.054 0.000 1.004 453 R CB 0.415 30.673 30.300 -0.069 0.000 0.917 453 R HN -0.014 nan 8.270 nan 0.000 0.462 454 c N 0.969 119.525 118.600 -0.072 0.000 2.356 454 c HA 0.402 4.592 4.570 -0.634 0.000 0.324 454 c C 0.020 174.079 174.090 -0.052 0.000 1.167 454 c CA -0.701 55.520 56.329 -0.181 0.000 1.420 454 c CB 1.348 43.678 42.510 -0.301 0.000 2.036 454 c HN 0.516 nan 8.230 nan 0.000 0.435 455 Q N 0.372 120.157 119.800 -0.025 0.000 2.140 455 Q HA 0.192 4.151 4.340 -0.634 0.000 0.227 455 Q C -0.837 175.260 176.000 0.162 0.000 0.798 455 Q CA 0.127 56.001 55.803 0.118 0.000 0.987 455 Q CB 1.359 30.167 28.738 0.117 0.000 1.161 455 Q HN 0.780 nan 8.270 nan 0.000 0.480 456 Y N 0.486 120.735 120.300 -0.085 0.000 2.349 456 Y HA 0.391 4.560 4.550 -0.634 0.000 0.324 456 Y C -1.640 174.240 175.900 -0.033 0.000 1.005 456 Y CA -1.178 56.932 58.100 0.016 0.000 1.240 456 Y CB 0.701 39.187 38.460 0.044 0.000 1.117 456 Y HN -0.101 nan 8.280 nan 0.000 0.463 457 Y N 2.176 122.526 120.300 0.083 0.000 2.562 457 Y HA 0.697 4.866 4.550 -0.634 0.000 0.343 457 Y C 0.119 176.096 175.900 0.129 0.000 1.025 457 Y CA -0.709 57.437 58.100 0.076 0.000 1.082 457 Y CB 2.344 40.761 38.460 -0.071 0.000 1.264 457 Y HN 0.501 nan 8.280 nan 0.000 0.478 458 S N 0.764 116.697 115.700 0.387 0.000 2.627 458 S HA 0.991 5.080 4.470 -0.634 0.000 0.283 458 S C -1.217 173.521 174.600 0.230 0.000 1.127 458 S CA -0.518 57.880 58.200 0.330 0.000 0.863 458 S CB 2.075 65.564 63.200 0.480 0.000 1.121 458 S HN 1.084 nan 8.310 nan 0.000 0.479 459 A N 0.436 123.376 122.820 0.200 0.000 2.566 459 A HA 0.895 4.835 4.320 -0.634 0.000 0.292 459 A C -0.719 176.986 177.584 0.201 0.000 1.112 459 A CA -0.677 51.439 52.037 0.131 0.000 0.707 459 A CB 1.612 20.611 19.000 -0.002 0.000 1.302 459 A HN 1.423 nan 8.150 nan 0.000 0.409 460 S N 0.206 116.005 115.700 0.165 0.000 2.733 460 S HA 0.710 4.799 4.470 -0.634 0.000 0.294 460 S C -1.539 173.189 174.600 0.214 0.000 1.149 460 S CA -0.346 58.043 58.200 0.316 0.000 1.034 460 S CB 0.011 63.464 63.200 0.421 0.000 1.015 460 S HN 0.464 nan 8.310 nan 0.000 0.486 461 F N 3.052 123.040 119.950 0.062 0.000 2.397 461 F HA 0.491 4.638 4.527 -0.635 0.000 0.331 461 F C 1.317 176.646 175.800 -0.786 0.000 1.090 461 F CA -0.341 57.498 58.000 -0.269 0.000 1.065 461 F CB 1.662 40.517 39.000 -0.240 0.000 1.184 461 F HN 0.649 nan 8.300 nan 0.000 0.499 462 S N 1.258 116.266 115.700 -1.154 0.000 2.617 462 S HA 0.109 4.198 4.470 -0.634 0.000 0.259 462 S C 1.062 175.483 174.600 -0.297 0.000 1.301 462 S CA -0.462 56.999 58.200 -1.230 0.000 0.984 462 S CB 0.313 62.847 63.200 -1.109 0.000 0.954 462 S HN 0.753 nan 8.310 nan 0.000 0.572 463 N N 0.937 119.602 118.700 -0.060 0.000 2.096 463 N HA -0.164 4.195 4.740 -0.634 0.000 0.195 463 N C 0.593 176.136 175.510 0.055 0.000 1.017 463 N CA 1.425 54.510 53.050 0.058 0.000 0.870 463 N CB -0.238 38.318 38.487 0.114 0.000 1.024 463 N HN 0.598 nan 8.380 nan 0.000 0.434 464 K N 0.185 120.614 120.400 0.048 0.000 2.861 464 K HA 0.363 4.302 4.320 -0.634 0.000 0.210 464 K C -0.006 176.615 176.600 0.035 0.000 1.112 464 K CA -0.098 56.224 56.287 0.058 0.000 1.076 464 K CB 1.142 33.692 32.500 0.082 0.000 0.853 464 K HN 0.120 nan 8.250 nan 0.000 0.463 465 A N 1.305 124.129 122.820 0.007 0.000 2.790 465 A HA -0.324 3.615 4.320 -0.634 0.000 0.277 465 A C 1.257 178.861 177.584 0.033 0.000 1.435 465 A CA 1.598 53.660 52.037 0.041 0.000 0.877 465 A CB -1.590 17.308 19.000 -0.171 0.000 1.007 465 A HN 0.543 nan 8.150 nan 0.000 0.613 466 K N -2.329 118.051 120.400 -0.033 0.000 2.148 466 K HA 0.063 4.002 4.320 -0.634 0.000 0.204 466 K C 0.122 176.388 176.600 -0.557 0.000 1.050 466 K CA 1.441 57.605 56.287 -0.206 0.000 0.942 466 K CB 0.024 32.484 32.500 -0.067 0.000 0.724 466 K HN 0.737 nan 8.250 nan 0.000 0.446 467 Y N -0.966 119.243 120.300 -0.152 0.000 2.581 467 Y HA 0.322 4.492 4.550 -0.635 0.000 0.345 467 Y C -0.884 174.808 175.900 -0.347 0.000 1.036 467 Y CA -1.610 56.360 58.100 -0.217 0.000 1.042 467 Y CB 1.788 40.173 38.460 -0.125 0.000 1.289 467 Y HN -0.046 nan 8.280 nan 0.000 0.471 468 Y N -0.873 119.312 120.300 -0.190 0.000 2.519 468 Y HA 0.486 4.655 4.550 -0.635 0.000 0.336 468 Y C -1.256 174.620 175.900 -0.040 0.000 1.089 468 Y CA -1.422 56.411 58.100 -0.445 0.000 1.025 468 Y CB 1.385 38.955 38.460 -1.484 0.000 1.318 468 Y HN 0.615 nan 8.280 nan 0.000 0.452 469 Q N 3.923 123.850 119.800 0.212 0.000 2.256 469 Q HA 0.553 4.513 4.340 -0.634 0.000 0.254 469 Q C -1.719 174.358 176.000 0.130 0.000 0.916 469 Q CA -0.675 55.212 55.803 0.140 0.000 0.932 469 Q CB 1.282 30.074 28.738 0.090 0.000 1.207 469 Q HN 0.965 nan 8.270 nan 0.000 0.426 470 L N 4.264 125.564 121.223 0.127 0.000 2.309 470 L HA 0.531 4.490 4.340 -0.634 0.000 0.282 470 L C -0.624 176.227 176.870 -0.031 0.000 1.036 470 L CA -0.717 54.178 54.840 0.091 0.000 0.806 470 L CB 1.455 43.563 42.059 0.082 0.000 1.220 470 L HN 0.684 nan 8.230 nan 0.000 0.429 471 R N 2.547 122.976 120.500 -0.120 0.000 2.388 471 R HA 0.319 4.278 4.340 -0.634 0.000 0.314 471 R C -0.982 174.820 176.300 -0.829 0.000 0.959 471 R CA -0.378 55.320 56.100 -0.669 0.000 0.851 471 R CB 1.516 31.495 30.300 -0.536 0.000 1.168 471 R HN 0.541 nan 8.270 nan 0.000 0.472 472 c N 4.431 122.441 118.600 -0.984 0.000 2.285 472 c HA 0.470 4.659 4.570 -0.634 0.000 0.335 472 c C 0.395 173.964 174.090 -0.868 0.000 1.267 472 c CA -0.562 55.188 56.329 -0.964 0.000 1.762 472 c CB -0.809 41.201 42.510 -0.834 0.000 2.365 472 c HN 0.987 nan 8.230 nan 0.000 0.527 473 F N 4.221 124.044 119.950 -0.212 0.000 2.695 473 F HA 0.457 4.604 4.527 -0.633 0.000 0.303 473 F C 1.507 177.275 175.800 -0.053 0.000 1.091 473 F CA 0.714 58.661 58.000 -0.089 0.000 1.300 473 F CB 0.271 39.235 39.000 -0.060 0.000 1.071 473 F HN 0.994 nan 8.300 nan 0.000 0.578 474 G N 0.054 108.868 108.800 0.022 0.000 2.337 474 G HA2 0.107 3.687 3.960 -0.634 0.000 0.298 474 G HA3 0.107 3.687 3.960 -0.634 0.000 0.298 474 G C -2.542 172.361 174.900 0.006 0.000 1.335 474 G CA -0.678 44.454 45.100 0.052 0.000 0.875 474 G HN -0.309 nan 8.290 nan 0.000 0.579 475 P HA 0.124 nan 4.420 nan 0.000 0.233 475 P C 1.214 178.552 177.300 0.064 0.000 1.167 475 P CA 1.382 64.525 63.100 0.072 0.000 0.770 475 P CB 0.287 32.019 31.700 0.052 0.000 0.837 476 G N 0.257 109.029 108.800 -0.047 0.000 2.525 476 G HA2 0.423 4.003 3.960 -0.634 0.000 0.287 476 G HA3 0.423 4.003 3.960 -0.634 0.000 0.287 476 G C -0.281 174.401 174.900 -0.364 0.000 1.350 476 G CA -0.792 44.209 45.100 -0.164 0.000 1.039 476 G HN 0.031 nan 8.290 nan 0.000 0.513 477 L N 1.082 121.996 121.223 -0.516 0.000 2.485 477 L HA 0.125 4.084 4.340 -0.634 0.000 0.275 477 L C -1.834 174.854 176.870 -0.303 0.000 1.207 477 L CA -1.148 53.305 54.840 -0.646 0.000 0.855 477 L CB 0.550 42.338 42.059 -0.451 0.000 1.114 477 L HN 0.239 nan 8.230 nan 0.000 0.485 478 P HA 0.036 nan 4.420 nan 0.000 0.265 478 P C -0.961 176.299 177.300 -0.067 0.000 1.187 478 P CA 0.030 63.090 63.100 -0.068 0.000 0.766 478 P CB 0.589 32.400 31.700 0.185 0.000 0.820 479 L N 4.692 125.775 121.223 -0.234 0.000 2.439 479 L HA 0.487 4.446 4.340 -0.634 0.000 0.270 479 L C -1.842 174.850 176.870 -0.296 0.000 0.972 479 L CA -0.622 54.134 54.840 -0.140 0.000 0.836 479 L CB 0.993 42.964 42.059 -0.146 0.000 1.255 479 L HN 0.202 nan 8.230 nan 0.000 0.404 480 Y N 2.702 122.919 120.300 -0.138 0.000 2.352 480 Y HA 0.789 4.958 4.550 -0.635 0.000 0.339 480 Y C 0.537 176.315 175.900 -0.203 0.000 0.992 480 Y CA -0.432 57.572 58.100 -0.161 0.000 1.100 480 Y CB 2.149 40.516 38.460 -0.155 0.000 1.192 480 Y HN 0.699 nan 8.280 nan 0.000 0.458 481 T N 0.671 115.190 114.554 -0.059 0.000 2.896 481 T HA 0.693 4.663 4.350 -0.634 0.000 0.297 481 T C -1.680 172.922 174.700 -0.163 0.000 1.108 481 T CA -0.893 61.126 62.100 -0.135 0.000 1.004 481 T CB 1.864 70.700 68.868 -0.054 0.000 1.159 481 T HN 0.410 nan 8.240 nan 0.000 0.499 482 L N 1.614 122.633 121.223 -0.339 0.000 2.329 482 L HA 0.781 4.740 4.340 -0.634 0.000 0.279 482 L C -1.341 175.221 176.870 -0.514 0.000 1.014 482 L CA -0.193 54.490 54.840 -0.261 0.000 0.814 482 L CB 1.120 43.066 42.059 -0.188 0.000 1.257 482 L HN 0.932 nan 8.230 nan 0.000 0.424 483 H N 1.219 120.070 119.070 -0.365 0.000 2.865 483 H HA 0.646 4.821 4.556 -0.634 0.000 0.372 483 H C -1.003 174.038 175.328 -0.478 0.000 1.173 483 H CA -0.698 55.032 56.048 -0.531 0.000 1.147 483 H CB 1.953 31.111 29.762 -1.007 0.000 1.805 483 H HN 0.526 nan 8.280 nan 0.000 0.553 484 S N 0.033 115.607 115.700 -0.210 0.000 2.451 484 S HA 0.233 4.323 4.470 -0.634 0.000 0.301 484 S C 0.670 175.130 174.600 -0.234 0.000 1.116 484 S CA -0.583 57.451 58.200 -0.277 0.000 1.093 484 S CB 0.877 63.985 63.200 -0.153 0.000 1.017 484 S HN 0.644 nan 8.310 nan 0.000 0.482 485 S N 3.151 118.718 115.700 -0.222 0.000 2.423 485 S HA -0.115 3.975 4.470 -0.634 0.000 0.231 485 S C 2.218 176.793 174.600 -0.041 0.000 1.014 485 S CA 1.257 59.478 58.200 0.035 0.000 0.965 485 S CB -0.424 62.805 63.200 0.049 0.000 0.785 485 S HN 0.937 nan 8.310 nan 0.000 0.495 486 S N 2.390 118.014 115.700 -0.127 0.000 2.404 486 S HA -0.198 3.891 4.470 -0.634 0.000 0.230 486 S C 1.727 176.301 174.600 -0.043 0.000 1.046 486 S CA 1.887 60.039 58.200 -0.079 0.000 1.135 486 S CB -0.683 62.468 63.200 -0.082 0.000 1.056 486 S HN 0.631 nan 8.310 nan 0.000 0.426 487 S N -0.419 115.261 115.700 -0.033 0.000 2.730 487 S HA 0.303 4.392 4.470 -0.634 0.000 0.244 487 S C -0.353 174.245 174.600 -0.002 0.000 1.022 487 S CA 0.308 58.498 58.200 -0.016 0.000 1.014 487 S CB -0.026 63.168 63.200 -0.009 0.000 0.963 487 S HN 0.386 nan 8.310 nan 0.000 0.540 488 D N 0.819 121.228 120.400 0.015 0.000 2.870 488 D HA -0.135 4.124 4.640 -0.634 0.000 0.228 488 D C -0.082 176.251 176.300 0.055 0.000 1.147 488 D CA 1.121 55.158 54.000 0.061 0.000 0.757 488 D CB -1.346 39.486 40.800 0.053 0.000 1.091 488 D HN 0.559 nan 8.370 nan 0.000 0.429 489 K N 1.091 121.497 120.400 0.009 0.000 2.401 489 K HA 0.080 4.019 4.320 -0.634 0.000 0.278 489 K C 1.221 177.793 176.600 -0.047 0.000 1.018 489 K CA 0.098 56.380 56.287 -0.009 0.000 0.981 489 K CB 0.811 33.298 32.500 -0.021 0.000 0.933 489 K HN -0.007 nan 8.250 nan 0.000 0.477 490 E N 4.209 124.366 120.200 -0.072 0.000 2.267 490 E HA -0.201 3.768 4.350 -0.634 0.000 0.197 490 E C 0.761 177.117 176.600 -0.407 0.000 0.998 490 E CA 1.390 57.637 56.400 -0.256 0.000 0.830 490 E CB -0.138 29.486 29.700 -0.127 0.000 0.751 490 E HN 0.716 nan 8.360 nan 0.000 0.491 491 L N -1.139 119.952 121.223 -0.219 0.000 3.461 491 L HA -0.423 3.536 4.340 -0.634 0.000 0.054 491 L C 0.764 177.540 176.870 -0.156 0.000 4.408 491 L CA 3.172 57.914 54.840 -0.163 0.000 0.544 491 L CB -1.101 40.858 42.059 -0.166 0.000 3.531 491 L HN 0.653 nan 8.230 nan 0.000 0.724 492 R N -2.568 117.795 120.500 -0.229 0.000 2.765 492 R HA 0.608 4.568 4.340 -0.634 0.000 0.277 492 R C -1.590 174.577 176.300 -0.222 0.000 1.028 492 R CA -0.658 55.335 56.100 -0.179 0.000 0.860 492 R CB 1.115 31.338 30.300 -0.129 0.000 1.270 492 R HN -0.102 nan 8.270 nan 0.000 0.484 493 V N 3.068 122.881 119.914 -0.170 0.000 2.465 493 V HA 0.259 3.999 4.120 -0.634 0.000 0.279 493 V C 1.074 177.037 176.094 -0.219 0.000 1.045 493 V CA -0.531 61.669 62.300 -0.166 0.000 0.938 493 V CB 1.339 33.101 31.823 -0.101 0.000 0.986 493 V HN 0.678 nan 8.190 nan 0.000 0.467 494 L N 2.152 123.188 121.223 -0.312 0.000 2.316 494 L HA 0.381 4.340 4.340 -0.634 0.000 0.207 494 L C 0.579 177.319 176.870 -0.216 0.000 1.070 494 L CA 0.537 55.044 54.840 -0.554 0.000 0.820 494 L CB 0.290 41.564 42.059 -1.307 0.000 0.992 494 L HN 0.677 nan 8.230 nan 0.000 0.466 495 E N 0.216 120.369 120.200 -0.078 0.000 2.343 495 E HA 0.085 4.055 4.350 -0.634 0.000 0.288 495 E C -1.163 175.476 176.600 0.066 0.000 0.907 495 E CA -0.265 56.150 56.400 0.025 0.000 0.792 495 E CB 1.100 30.810 29.700 0.017 0.000 1.275 495 E HN 0.185 nan 8.360 nan 0.000 0.402 496 D N 3.470 123.883 120.400 0.022 0.000 2.469 496 D HA 0.092 4.351 4.640 -0.634 0.000 0.213 496 D C -0.282 176.015 176.300 -0.006 0.000 1.135 496 D CA -0.274 53.729 54.000 0.005 0.000 0.834 496 D CB 0.021 40.809 40.800 -0.021 0.000 1.009 496 D HN 0.485 nan 8.370 nan 0.000 0.507 497 N N 1.026 119.731 118.700 0.008 0.000 2.714 497 N HA -0.223 4.136 4.740 -0.634 0.000 0.250 497 N C 1.205 176.708 175.510 -0.012 0.000 1.117 497 N CA 0.973 54.022 53.050 -0.002 0.000 0.719 497 N CB -1.447 37.034 38.487 -0.010 0.000 1.081 497 N HN 0.480 nan 8.380 nan 0.000 0.557 498 S N -0.900 114.794 115.700 -0.011 0.000 2.402 498 S HA -0.157 3.932 4.470 -0.634 0.000 0.233 498 S C 2.091 176.695 174.600 0.007 0.000 1.030 498 S CA 1.244 59.439 58.200 -0.008 0.000 1.003 498 S CB -0.253 62.943 63.200 -0.006 0.000 0.813 498 S HN 0.537 nan 8.310 nan 0.000 0.477 499 A N 1.875 124.705 122.820 0.017 0.000 1.902 499 A HA 0.083 4.022 4.320 -0.634 0.000 0.217 499 A C 2.233 179.856 177.584 0.064 0.000 1.181 499 A CA 1.562 53.620 52.037 0.036 0.000 0.623 499 A CB -0.842 18.177 19.000 0.030 0.000 0.818 499 A HN 0.525 nan 8.150 nan 0.000 0.443 500 L N 0.473 121.735 121.223 0.064 0.000 2.056 500 L HA -0.133 3.826 4.340 -0.634 0.000 0.207 500 L C 1.896 178.804 176.870 0.062 0.000 1.078 500 L CA 2.817 57.720 54.840 0.105 0.000 0.749 500 L CB -0.857 41.258 42.059 0.094 0.000 0.901 500 L HN 0.522 nan 8.230 nan 0.000 0.433 501 D N -0.697 119.706 120.400 0.004 0.000 2.133 501 D HA -0.299 3.960 4.640 -0.634 0.000 0.195 501 D C 2.170 178.476 176.300 0.011 0.000 0.997 501 D CA 1.511 55.497 54.000 -0.023 0.000 0.840 501 D CB -0.024 40.751 40.800 -0.042 0.000 0.947 501 D HN 0.213 nan 8.370 nan 0.000 0.452 502 K N -0.031 120.389 120.400 0.033 0.000 2.026 502 K HA -0.092 3.847 4.320 -0.634 0.000 0.208 502 K C 2.075 178.723 176.600 0.081 0.000 1.048 502 K CA 1.448 57.763 56.287 0.047 0.000 0.929 502 K CB -0.333 32.195 32.500 0.048 0.000 0.713 502 K HN 0.271 nan 8.250 nan 0.000 0.439 503 M N -0.030 119.649 119.600 0.131 0.000 2.117 503 M HA -0.106 3.993 4.480 -0.634 0.000 0.262 503 M C 1.989 178.392 176.300 0.171 0.000 1.065 503 M CA 1.425 56.865 55.300 0.233 0.000 1.114 503 M CB -0.284 32.568 32.600 0.421 0.000 1.361 503 M HN 0.074 nan 8.290 nan 0.000 0.408 504 L N 0.309 121.556 121.223 0.040 0.000 2.201 504 L HA -0.186 3.773 4.340 -0.634 0.000 0.212 504 L C 2.641 179.492 176.870 -0.031 0.000 1.105 504 L CA 0.955 55.740 54.840 -0.090 0.000 0.775 504 L CB -0.828 41.164 42.059 -0.111 0.000 0.913 504 L HN 0.475 nan 8.230 nan 0.000 0.440 505 Q N -0.467 119.338 119.800 0.008 0.000 2.508 505 Q HA -0.234 3.725 4.340 -0.634 0.000 0.214 505 Q C 0.968 176.991 176.000 0.038 0.000 0.979 505 Q CA 1.645 57.458 55.803 0.015 0.000 0.911 505 Q CB -0.272 28.476 28.738 0.018 0.000 0.969 505 Q HN 0.359 nan 8.270 nan 0.000 0.504 506 D N 0.103 120.538 120.400 0.059 0.000 2.369 506 D HA 0.079 4.338 4.640 -0.634 0.000 0.211 506 D C -0.601 175.757 176.300 0.096 0.000 1.077 506 D CA -0.121 53.930 54.000 0.085 0.000 0.842 506 D CB 1.046 41.913 40.800 0.112 0.000 0.947 506 D HN 0.122 nan 8.370 nan 0.000 0.509 507 V N 0.864 120.817 119.914 0.065 0.000 2.581 507 V HA 0.318 4.058 4.120 -0.634 0.000 0.303 507 V C -0.643 175.493 176.094 0.070 0.000 1.041 507 V CA -0.679 61.668 62.300 0.078 0.000 0.907 507 V CB 1.826 33.665 31.823 0.026 0.000 0.994 507 V HN -0.036 nan 8.190 nan 0.000 0.442 508 Q N 6.298 126.167 119.800 0.114 0.000 2.613 508 Q HA 0.217 4.176 4.340 -0.634 0.000 0.228 508 Q C -0.345 175.711 176.000 0.093 0.000 1.318 508 Q CA -0.036 55.845 55.803 0.130 0.000 0.907 508 Q CB 0.252 29.101 28.738 0.184 0.000 1.593 508 Q HN 0.585 nan 8.270 nan 0.000 0.559 509 M N 3.705 123.326 119.600 0.035 0.000 2.242 509 M HA 0.295 4.394 4.480 -0.634 0.000 0.344 509 M C -1.941 174.351 176.300 -0.012 0.000 1.140 509 M CA -2.174 53.121 55.300 -0.009 0.000 1.160 509 M CB 0.049 32.622 32.600 -0.046 0.000 1.491 509 M HN 0.277 nan 8.290 nan 0.000 0.459 510 P HA 0.246 nan 4.420 nan 0.000 0.278 510 P C -0.963 176.294 177.300 -0.071 0.000 1.258 510 P CA -0.450 62.620 63.100 -0.050 0.000 0.811 510 P CB 0.782 32.446 31.700 -0.061 0.000 1.063 511 S N 0.174 115.815 115.700 -0.099 0.000 2.525 511 S HA 0.454 4.544 4.470 -0.634 0.000 0.290 511 S C -0.295 174.239 174.600 -0.109 0.000 1.152 511 S CA -0.792 57.348 58.200 -0.099 0.000 1.072 511 S CB 1.294 64.420 63.200 -0.124 0.000 1.027 511 S HN 0.480 nan 8.310 nan 0.000 0.500 512 K N 1.914 122.271 120.400 -0.073 0.000 2.265 512 K HA 0.394 4.334 4.320 -0.634 0.000 0.267 512 K C -0.880 175.688 176.600 -0.053 0.000 0.994 512 K CA -0.511 55.740 56.287 -0.060 0.000 0.860 512 K CB 0.824 33.304 32.500 -0.033 0.000 1.099 512 K HN 0.761 nan 8.250 nan 0.000 0.448 513 K N 4.801 125.162 120.400 -0.065 0.000 2.316 513 K HA 0.381 4.320 4.320 -0.634 0.000 0.251 513 K C -1.464 175.098 176.600 -0.063 0.000 0.934 513 K CA -0.808 55.441 56.287 -0.063 0.000 0.802 513 K CB 1.003 33.444 32.500 -0.098 0.000 1.171 513 K HN 0.396 nan 8.250 nan 0.000 0.426 514 L N 2.688 123.886 121.223 -0.042 0.000 2.342 514 L HA 0.553 4.513 4.340 -0.634 0.000 0.271 514 L C -0.417 176.374 176.870 -0.131 0.000 1.008 514 L CA -0.110 54.714 54.840 -0.026 0.000 0.818 514 L CB 1.794 43.963 42.059 0.183 0.000 1.296 514 L HN 0.807 nan 8.230 nan 0.000 0.427 515 D N 0.206 120.354 120.400 -0.420 0.000 2.779 515 D HA 0.600 4.859 4.640 -0.634 0.000 0.331 515 D C -1.708 174.210 176.300 -0.638 0.000 1.331 515 D CA -0.161 53.525 54.000 -0.525 0.000 0.866 515 D CB 2.003 42.515 40.800 -0.480 0.000 1.409 515 D HN 0.126 nan 8.370 nan 0.000 0.486 516 V N 0.928 120.583 119.914 -0.431 0.000 3.001 516 V HA 0.707 4.447 4.120 -0.634 0.000 0.314 516 V C -0.180 175.997 176.094 0.139 0.000 1.099 516 V CA -0.735 61.392 62.300 -0.287 0.000 0.989 516 V CB 1.837 33.279 31.823 -0.636 0.000 1.040 516 V HN 0.544 nan 8.190 nan 0.000 0.434 517 I N 0.031 120.741 120.570 0.235 0.000 2.865 517 I HA 0.666 4.455 4.170 -0.634 0.000 0.302 517 I C -0.943 175.248 176.117 0.123 0.000 1.140 517 I CA -0.851 60.553 61.300 0.174 0.000 1.021 517 I CB 2.381 40.445 38.000 0.107 0.000 1.233 517 I HN 0.592 nan 8.210 nan 0.000 0.427 518 N N 4.528 123.247 118.700 0.032 0.000 2.426 518 N HA 0.619 4.979 4.740 -0.634 0.000 0.275 518 N C -1.667 173.832 175.510 -0.019 0.000 1.019 518 N CA -0.416 52.641 53.050 0.011 0.000 0.941 518 N CB 1.188 39.660 38.487 -0.026 0.000 1.123 518 N HN 0.679 nan 8.380 nan 0.000 0.486 519 L N 3.634 124.858 121.223 0.001 0.000 2.376 519 L HA 0.338 4.297 4.340 -0.634 0.000 0.275 519 L C -0.478 176.080 176.870 -0.520 0.000 0.987 519 L CA -1.074 53.568 54.840 -0.330 0.000 0.828 519 L CB 1.310 43.141 42.059 -0.381 0.000 1.249 519 L HN 0.931 nan 8.230 nan 0.000 0.409 520 H N 0.821 119.955 119.070 0.107 0.000 2.557 520 H HA -0.200 3.975 4.556 -0.635 0.000 0.319 520 H C 1.011 176.369 175.328 0.050 0.000 1.102 520 H CA 0.631 56.717 56.048 0.063 0.000 1.126 520 H CB -1.975 27.815 29.762 0.046 0.000 1.498 520 H HN 1.039 nan 8.280 nan 0.000 0.411 521 G N -1.644 107.200 108.800 0.073 0.000 2.162 521 G HA2 -0.288 3.292 3.960 -0.634 0.000 0.260 521 G HA3 -0.288 3.292 3.960 -0.634 0.000 0.260 521 G C 0.274 175.174 174.900 -0.000 0.000 0.976 521 G CA 0.422 45.545 45.100 0.037 0.000 0.655 521 G HN 0.919 nan 8.290 nan 0.000 0.533 522 T N 0.606 115.148 114.554 -0.021 0.000 2.863 522 T HA 0.568 4.538 4.350 -0.634 0.000 0.285 522 T C 0.076 174.554 174.700 -0.371 0.000 1.009 522 T CA -0.399 61.562 62.100 -0.231 0.000 0.989 522 T CB 1.655 70.305 68.868 -0.365 0.000 1.004 522 T HN 0.589 nan 8.240 nan 0.000 0.455 523 K N 2.241 122.402 120.400 -0.399 0.000 2.258 523 K HA 0.612 4.552 4.320 -0.634 0.000 0.284 523 K C -1.266 175.094 176.600 -0.400 0.000 1.051 523 K CA -0.428 55.693 56.287 -0.276 0.000 0.923 523 K CB 0.525 32.914 32.500 -0.184 0.000 1.046 523 K HN 0.384 nan 8.250 nan 0.000 0.474 524 F N 1.398 121.423 119.950 0.125 0.000 2.577 524 F HA 0.424 4.571 4.527 -0.633 0.000 0.318 524 F C -0.602 175.341 175.800 0.239 0.000 1.065 524 F CA -0.955 57.183 58.000 0.231 0.000 0.929 524 F CB 1.345 40.519 39.000 0.290 0.000 1.237 524 F HN 0.482 nan 8.300 nan 0.000 0.468 525 W N 2.012 123.556 121.300 0.406 0.000 2.375 525 W HA 0.528 4.807 4.660 -0.635 0.000 0.336 525 W C -0.779 176.043 176.519 0.505 0.000 1.160 525 W CA -0.510 57.041 57.345 0.344 0.000 1.266 525 W CB 0.841 30.416 29.460 0.191 0.000 1.195 525 W HN 0.397 nan 8.180 nan 0.000 0.599 526 Y N -0.321 120.345 120.300 0.609 0.000 2.625 526 Y HA 0.674 4.843 4.550 -0.635 0.000 0.338 526 Y C -1.133 174.978 175.900 0.353 0.000 1.123 526 Y CA -1.844 56.590 58.100 0.557 0.000 1.046 526 Y CB 1.172 40.072 38.460 0.733 0.000 1.299 526 Y HN 0.567 nan 8.280 nan 0.000 0.464 527 Q N 2.268 122.317 119.800 0.415 0.000 2.421 527 Q HA 0.752 4.711 4.340 -0.634 0.000 0.280 527 Q C -1.856 174.264 176.000 0.200 0.000 1.085 527 Q CA -1.166 54.747 55.803 0.183 0.000 0.807 527 Q CB 3.365 32.188 28.738 0.141 0.000 1.405 527 Q HN 0.855 nan 8.270 nan 0.000 0.419 528 M N 2.451 122.103 119.600 0.085 0.000 2.327 528 M HA 0.467 4.567 4.480 -0.634 0.000 0.298 528 M C -1.343 174.926 176.300 -0.051 0.000 1.065 528 M CA -0.921 54.384 55.300 0.009 0.000 0.916 528 M CB 2.263 34.855 32.600 -0.014 0.000 1.630 528 M HN 0.621 nan 8.290 nan 0.000 0.442 529 I N 5.071 125.606 120.570 -0.058 0.000 2.307 529 I HA 0.406 4.196 4.170 -0.634 0.000 0.289 529 I C -0.547 175.489 176.117 -0.135 0.000 1.021 529 I CA -0.357 60.891 61.300 -0.086 0.000 1.224 529 I CB 0.575 38.538 38.000 -0.063 0.000 1.376 529 I HN 0.630 nan 8.210 nan 0.000 0.470 530 L N 8.120 129.219 121.223 -0.207 0.000 2.309 530 L HA 0.483 4.443 4.340 -0.634 0.000 0.282 530 L C -2.245 174.520 176.870 -0.175 0.000 1.036 530 L CA -1.832 52.818 54.840 -0.317 0.000 0.806 530 L CB 1.387 43.055 42.059 -0.652 0.000 1.220 530 L HN 0.260 nan 8.230 nan 0.000 0.429 531 P HA 0.091 nan 4.420 nan 0.000 0.268 531 P C -2.467 174.894 177.300 0.101 0.000 1.208 531 P CA -0.751 62.382 63.100 0.054 0.000 0.777 531 P CB -0.053 31.735 31.700 0.146 0.000 0.875 532 P HA 0.061 nan 4.420 nan 0.000 0.272 532 P C -0.609 176.835 177.300 0.240 0.000 1.240 532 P CA 0.174 63.354 63.100 0.132 0.000 0.791 532 P CB -0.153 31.669 31.700 0.202 0.000 0.978 533 H N -2.246 116.876 119.070 0.085 0.000 2.557 533 H HA -0.219 3.956 4.556 -0.635 0.000 0.319 533 H C -0.237 175.164 175.328 0.123 0.000 1.102 533 H CA 0.005 56.105 56.048 0.087 0.000 1.126 533 H CB -2.431 27.370 29.762 0.065 0.000 1.498 533 H HN 0.257 nan 8.280 nan 0.000 0.411 534 F N 1.869 121.826 119.950 0.011 0.000 2.590 534 F HA 0.045 4.191 4.527 -0.635 0.000 0.389 534 F C 0.735 176.573 175.800 0.065 0.000 1.049 534 F CA -0.231 57.749 58.000 -0.034 0.000 1.199 534 F CB 0.346 39.210 39.000 -0.227 0.000 1.058 534 F HN 0.295 nan 8.300 nan 0.000 0.556 535 D N 5.602 125.835 120.400 -0.279 0.000 2.443 535 D HA 0.131 4.390 4.640 -0.634 0.000 0.221 535 D C 0.799 176.955 176.300 -0.241 0.000 1.097 535 D CA -0.326 53.583 54.000 -0.152 0.000 0.865 535 D CB 1.092 41.851 40.800 -0.068 0.000 1.034 535 D HN 0.482 nan 8.370 nan 0.000 0.511 536 K N 0.873 121.211 120.400 -0.103 0.000 2.360 536 K HA -0.124 3.816 4.320 -0.634 0.000 0.201 536 K C 1.726 178.369 176.600 0.072 0.000 1.046 536 K CA 1.156 57.468 56.287 0.042 0.000 0.940 536 K CB 0.092 32.669 32.500 0.129 0.000 0.748 536 K HN 0.383 nan 8.250 nan 0.000 0.465 537 S N -0.249 115.458 115.700 0.011 0.000 2.593 537 S HA 0.009 4.099 4.470 -0.634 0.000 0.217 537 S C 0.563 175.145 174.600 -0.029 0.000 0.966 537 S CA -0.252 57.951 58.200 0.006 0.000 0.914 537 S CB 0.019 63.215 63.200 -0.008 0.000 0.776 537 S HN 0.157 nan 8.310 nan 0.000 0.523 538 K N 1.301 121.662 120.400 -0.065 0.000 2.118 538 K HA 0.371 4.310 4.320 -0.634 0.000 0.254 538 K C -1.163 175.384 176.600 -0.088 0.000 0.961 538 K CA -0.704 55.481 56.287 -0.169 0.000 0.876 538 K CB 0.861 33.129 32.500 -0.388 0.000 1.077 538 K HN 0.030 nan 8.250 nan 0.000 0.440 539 K N 3.242 123.557 120.400 -0.141 0.000 2.281 539 K HA 0.194 4.133 4.320 -0.634 0.000 0.272 539 K C -1.325 175.216 176.600 -0.098 0.000 1.048 539 K CA -0.547 55.719 56.287 -0.035 0.000 0.898 539 K CB 0.704 33.167 32.500 -0.062 0.000 1.128 539 K HN 0.380 nan 8.250 nan 0.000 0.460 540 Y N 3.651 123.946 120.300 -0.009 0.000 2.310 540 Y HA 0.194 4.363 4.550 -0.635 0.000 0.326 540 Y C -1.815 174.016 175.900 -0.114 0.000 1.151 540 Y CA -2.471 55.613 58.100 -0.026 0.000 1.195 540 Y CB 0.440 38.968 38.460 0.112 0.000 1.210 540 Y HN 0.484 nan 8.280 nan 0.000 0.483 541 P HA 0.106 nan 4.420 nan 0.000 0.272 541 P C -0.897 176.247 177.300 -0.259 0.000 1.223 541 P CA -0.091 62.711 63.100 -0.496 0.000 0.784 541 P CB 1.480 32.498 31.700 -1.137 0.000 0.923 542 L N 2.695 123.788 121.223 -0.217 0.000 2.362 542 L HA 0.495 4.455 4.340 -0.634 0.000 0.275 542 L C -0.734 176.276 176.870 0.232 0.000 0.998 542 L CA -1.124 53.740 54.840 0.039 0.000 0.820 542 L CB 1.726 43.817 42.059 0.052 0.000 1.270 542 L HN 0.301 nan 8.230 nan 0.000 0.415 543 L N 5.587 126.976 121.223 0.276 0.000 2.333 543 L HA 0.486 4.446 4.340 -0.634 0.000 0.280 543 L C -0.903 176.184 176.870 0.362 0.000 1.004 543 L CA -0.744 54.330 54.840 0.389 0.000 0.820 543 L CB 1.840 44.092 42.059 0.321 0.000 1.247 543 L HN 0.490 nan 8.230 nan 0.000 0.416 544 I N 4.148 124.982 120.570 0.441 0.000 2.331 544 I HA 0.270 4.059 4.170 -0.634 0.000 0.292 544 I C 0.234 176.601 176.117 0.418 0.000 0.998 544 I CA -0.191 61.354 61.300 0.409 0.000 1.267 544 I CB 1.492 39.774 38.000 0.470 0.000 1.386 544 I HN 0.644 nan 8.210 nan 0.000 0.476 545 E N 6.124 126.538 120.200 0.356 0.000 2.134 545 E HA 0.501 4.470 4.350 -0.634 0.000 0.278 545 E C -1.551 175.131 176.600 0.137 0.000 0.959 545 E CA -0.422 56.112 56.400 0.223 0.000 0.783 545 E CB 1.907 31.811 29.700 0.340 0.000 1.095 545 E HN 0.424 nan 8.360 nan 0.000 0.399 546 V N 5.342 125.269 119.914 0.022 0.000 2.914 546 V HA 0.379 4.119 4.120 -0.634 0.000 0.314 546 V C -1.299 174.890 176.094 0.158 0.000 1.084 546 V CA -0.327 62.048 62.300 0.125 0.000 0.963 546 V CB 1.663 33.564 31.823 0.131 0.000 1.025 546 V HN 0.927 nan 8.190 nan 0.000 0.432 547 Y N 4.700 125.067 120.300 0.112 0.000 3.183 547 Y HA 0.585 4.753 4.550 -0.636 0.000 0.200 547 Y C 1.544 177.585 175.900 0.236 0.000 0.912 547 Y CA 1.510 59.703 58.100 0.155 0.000 1.642 547 Y CB 0.096 38.630 38.460 0.123 0.000 1.447 547 Y HN 1.170 nan 8.280 nan 0.000 0.421 548 A N 0.624 123.561 122.820 0.194 0.000 2.899 548 A HA -0.148 3.791 4.320 -0.634 0.000 0.257 548 A C 0.973 178.405 177.584 -0.253 0.000 1.335 548 A CA 0.950 53.028 52.037 0.068 0.000 0.924 548 A CB -2.474 16.621 19.000 0.159 0.000 1.105 548 A HN 0.968 nan 8.150 nan 0.000 0.765 549 G N -0.431 107.999 108.800 -0.616 0.000 2.634 549 G HA2 0.502 4.082 3.960 -0.634 0.000 0.255 549 G HA3 0.502 4.082 3.960 -0.634 0.000 0.255 549 G C -1.911 172.651 174.900 -0.563 0.000 1.205 549 G CA -0.666 43.624 45.100 -1.350 0.000 0.884 549 G HN 0.389 nan 8.290 nan 0.000 0.549 550 P HA 0.007 nan 4.420 nan 0.000 0.263 550 P C 0.678 177.813 177.300 -0.275 0.000 1.195 550 P CA 0.235 63.025 63.100 -0.518 0.000 0.762 550 P CB 0.747 31.713 31.700 -1.222 0.000 0.799 551 C N 2.218 121.441 119.300 -0.128 0.000 4.392 551 C HA -0.158 3.922 4.460 -0.634 0.000 0.280 551 C C 1.156 176.186 174.990 0.067 0.000 1.381 551 C CA 1.209 60.125 59.018 -0.170 0.000 1.871 551 C CB -2.616 24.832 27.740 -0.486 0.000 1.323 551 C HN 0.828 nan 8.230 nan 0.000 0.772 552 S N 0.052 115.858 115.700 0.177 0.000 2.614 552 S HA 0.510 4.599 4.470 -0.634 0.000 0.265 552 S C -0.536 174.251 174.600 0.311 0.000 1.303 552 S CA 0.297 58.699 58.200 0.336 0.000 1.000 552 S CB 1.517 64.978 63.200 0.434 0.000 0.935 552 S HN 0.824 nan 8.310 nan 0.000 0.551 553 Q N 0.058 120.054 119.800 0.326 0.000 2.483 553 Q HA 0.315 4.275 4.340 -0.634 0.000 0.245 553 Q C -0.574 175.544 176.000 0.197 0.000 0.902 553 Q CA -0.632 55.344 55.803 0.288 0.000 0.767 553 Q CB 0.904 29.860 28.738 0.364 0.000 1.341 553 Q HN 0.652 nan 8.270 nan 0.000 0.453 554 K N 1.511 122.025 120.400 0.189 0.000 2.361 554 K HA 0.196 4.136 4.320 -0.634 0.000 0.194 554 K C -0.054 176.637 176.600 0.153 0.000 1.032 554 K CA 0.342 56.727 56.287 0.165 0.000 1.048 554 K CB 1.003 33.627 32.500 0.207 0.000 0.842 554 K HN 0.376 nan 8.250 nan 0.000 0.526 555 V N 3.996 124.012 119.914 0.169 0.000 2.311 555 V HA 0.158 3.897 4.120 -0.634 0.000 0.275 555 V C -0.526 175.628 176.094 0.100 0.000 1.022 555 V CA -0.775 61.625 62.300 0.167 0.000 0.830 555 V CB 0.958 32.938 31.823 0.262 0.000 1.012 555 V HN 0.278 nan 8.190 nan 0.000 0.452 556 D N 2.220 122.656 120.400 0.060 0.000 2.664 556 D HA 0.328 4.587 4.640 -0.634 0.000 0.292 556 D C 0.322 176.630 176.300 0.013 0.000 1.214 556 D CA -0.199 53.827 54.000 0.043 0.000 0.932 556 D CB 1.509 42.338 40.800 0.048 0.000 1.420 556 D HN 0.336 nan 8.370 nan 0.000 0.471 557 T N -2.021 112.564 114.554 0.051 0.000 3.264 557 T HA 0.388 4.357 4.350 -0.634 0.000 0.257 557 T C 0.207 174.890 174.700 -0.029 0.000 0.976 557 T CA -0.469 61.655 62.100 0.039 0.000 0.908 557 T CB -0.801 68.124 68.868 0.095 0.000 1.082 557 T HN 0.268 nan 8.240 nan 0.000 0.567 558 V N 2.428 122.226 119.914 -0.192 0.000 2.583 558 V HA 0.388 4.128 4.120 -0.634 0.000 0.287 558 V C 0.033 176.109 176.094 -0.030 0.000 1.051 558 V CA -1.055 61.113 62.300 -0.220 0.000 1.010 558 V CB 0.536 32.087 31.823 -0.452 0.000 0.988 558 V HN 0.640 nan 8.190 nan 0.000 0.478 559 F N 6.371 126.284 119.950 -0.062 0.000 2.420 559 F HA 0.574 4.721 4.527 -0.633 0.000 0.352 559 F C 0.416 176.210 175.800 -0.010 0.000 1.108 559 F CA -0.222 57.759 58.000 -0.031 0.000 1.162 559 F CB 0.263 39.257 39.000 -0.011 0.000 1.118 559 F HN 0.414 nan 8.300 nan 0.000 0.510 560 R N 6.108 126.115 120.500 -0.823 0.000 2.621 560 R HA 0.459 4.418 4.340 -0.634 0.000 0.284 560 R C -1.881 173.988 176.300 -0.717 0.000 0.998 560 R CA -1.238 54.504 56.100 -0.597 0.000 0.895 560 R CB 1.882 32.032 30.300 -0.250 0.000 1.195 560 R HN 0.475 nan 8.270 nan 0.000 0.450 561 L N 2.970 123.931 121.223 -0.437 0.000 2.287 561 L HA 0.309 4.269 4.340 -0.634 0.000 0.280 561 L C 0.043 176.913 176.870 -0.001 0.000 1.055 561 L CA 0.176 54.845 54.840 -0.285 0.000 0.863 561 L CB 0.558 42.604 42.059 -0.022 0.000 1.245 561 L HN 0.769 nan 8.230 nan 0.000 0.432 562 S N 1.508 117.135 115.700 -0.122 0.000 2.806 562 S HA 0.316 4.405 4.470 -0.634 0.000 0.315 562 S C 0.630 174.947 174.600 -0.472 0.000 1.127 562 S CA -0.686 57.386 58.200 -0.214 0.000 0.918 562 S CB 0.682 63.837 63.200 -0.074 0.000 1.240 562 S HN 0.524 nan 8.310 nan 0.000 0.552 563 W N 1.293 122.009 121.300 -0.973 0.000 2.342 563 W HA 0.012 4.295 4.660 -0.629 0.000 0.297 563 W C 2.357 178.824 176.519 -0.087 0.000 1.213 563 W CA 2.038 58.991 57.345 -0.653 0.000 1.251 563 W CB -1.072 28.167 29.460 -0.368 0.000 1.136 563 W HN 0.829 nan 8.180 nan 0.000 0.526 564 A N -0.370 122.410 122.820 -0.067 0.000 1.972 564 A HA -0.199 3.740 4.320 -0.634 0.000 0.219 564 A C 1.951 179.452 177.584 -0.139 0.000 1.169 564 A CA 2.449 54.390 52.037 -0.161 0.000 0.635 564 A CB -1.288 17.714 19.000 0.003 0.000 0.810 564 A HN 0.303 nan 8.150 nan 0.000 0.446 565 T N -1.127 113.379 114.554 -0.081 0.000 2.684 565 T HA -0.214 3.755 4.350 -0.634 0.000 0.267 565 T C 1.813 176.591 174.700 0.130 0.000 1.036 565 T CA 1.790 63.846 62.100 -0.074 0.000 1.148 565 T CB -0.489 68.203 68.868 -0.293 0.000 0.863 565 T HN 0.701 nan 8.240 nan 0.000 0.436 566 Y N 2.062 122.490 120.300 0.212 0.000 2.181 566 Y HA -0.031 4.138 4.550 -0.635 0.000 0.288 566 Y C 1.942 177.857 175.900 0.026 0.000 1.146 566 Y CA 0.872 59.105 58.100 0.221 0.000 1.164 566 Y CB -0.825 37.735 38.460 0.167 0.000 0.982 566 Y HN 0.129 nan 8.280 nan 0.000 0.515 567 L N 0.285 121.068 121.223 -0.733 0.000 2.042 567 L HA -0.240 3.719 4.340 -0.634 0.000 0.210 567 L C 2.843 179.481 176.870 -0.387 0.000 1.076 567 L CA 1.486 55.841 54.840 -0.809 0.000 0.749 567 L CB -1.015 40.630 42.059 -0.690 0.000 0.893 567 L HN 0.413 nan 8.230 nan 0.000 0.432 568 A N -1.281 121.410 122.820 -0.215 0.000 1.874 568 A HA -0.179 3.760 4.320 -0.634 0.000 0.214 568 A C 2.514 180.085 177.584 -0.021 0.000 1.189 568 A CA 1.726 53.712 52.037 -0.085 0.000 0.615 568 A CB -0.651 18.305 19.000 -0.072 0.000 0.830 568 A HN 0.343 nan 8.150 nan 0.000 0.443 569 S N -1.119 114.585 115.700 0.007 0.000 2.355 569 S HA -0.124 3.966 4.470 -0.634 0.000 0.222 569 S C 1.997 176.656 174.600 0.099 0.000 1.031 569 S CA 2.326 60.580 58.200 0.090 0.000 0.993 569 S CB -0.417 62.889 63.200 0.178 0.000 0.859 569 S HN 0.569 nan 8.310 nan 0.000 0.453 570 T N 1.200 115.795 114.554 0.069 0.000 2.983 570 T HA 0.180 4.150 4.350 -0.634 0.000 0.250 570 T C 1.339 176.049 174.700 0.017 0.000 1.037 570 T CA 0.553 62.710 62.100 0.096 0.000 1.142 570 T CB -0.079 68.950 68.868 0.267 0.000 0.876 570 T HN 0.331 nan 8.240 nan 0.000 0.455 571 E N 1.231 121.351 120.200 -0.134 0.000 2.474 571 E HA 0.175 4.144 4.350 -0.634 0.000 0.195 571 E C -0.053 176.547 176.600 0.000 0.000 1.039 571 E CA -0.093 56.259 56.400 -0.081 0.000 0.881 571 E CB -0.285 29.301 29.700 -0.190 0.000 0.970 571 E HN 0.513 nan 8.360 nan 0.000 0.486 572 N N 0.625 119.349 118.700 0.041 0.000 2.740 572 N HA -0.187 4.172 4.740 -0.634 0.000 0.248 572 N C -0.912 174.731 175.510 0.222 0.000 1.062 572 N CA 0.263 53.422 53.050 0.180 0.000 0.704 572 N CB -1.135 37.472 38.487 0.200 0.000 0.968 572 N HN 0.204 nan 8.380 nan 0.000 0.547 573 I N 0.828 121.451 120.570 0.088 0.000 2.404 573 I HA 0.372 4.161 4.170 -0.634 0.000 0.293 573 I C 0.490 176.639 176.117 0.052 0.000 0.992 573 I CA -0.841 60.509 61.300 0.083 0.000 1.149 573 I CB 1.443 39.479 38.000 0.060 0.000 1.315 573 I HN 0.018 nan 8.210 nan 0.000 0.446 574 I N 6.395 127.014 120.570 0.081 0.000 2.416 574 I HA 0.191 3.981 4.170 -0.634 0.000 0.288 574 I C -0.416 175.725 176.117 0.040 0.000 1.051 574 I CA -0.423 60.897 61.300 0.033 0.000 1.375 574 I CB 1.080 39.123 38.000 0.071 0.000 1.407 574 I HN 0.194 nan 8.210 nan 0.000 0.516 575 V N 6.534 126.457 119.914 0.015 0.000 2.384 575 V HA 0.673 4.412 4.120 -0.634 0.000 0.287 575 V C 0.254 176.385 176.094 0.063 0.000 1.020 575 V CA -0.440 61.901 62.300 0.067 0.000 0.850 575 V CB 1.277 33.132 31.823 0.054 0.000 0.987 575 V HN 0.847 nan 8.190 nan 0.000 0.436 576 A N 3.885 126.758 122.820 0.089 0.000 2.380 576 A HA 0.955 4.894 4.320 -0.634 0.000 0.315 576 A C -0.286 177.412 177.584 0.191 0.000 1.101 576 A CA -0.526 51.539 52.037 0.047 0.000 0.771 576 A CB 1.927 20.783 19.000 -0.240 0.000 1.287 576 A HN 0.679 nan 8.150 nan 0.000 0.436 577 S N -0.355 115.499 115.700 0.257 0.000 2.569 577 S HA 0.789 4.879 4.470 -0.634 0.000 0.280 577 S C -1.600 173.327 174.600 0.545 0.000 1.111 577 S CA -0.292 58.123 58.200 0.358 0.000 0.887 577 S CB 1.388 64.754 63.200 0.278 0.000 1.095 577 S HN 0.859 nan 8.310 nan 0.000 0.476 578 F N 1.811 121.978 119.950 0.362 0.000 2.574 578 F HA 0.486 4.631 4.527 -0.635 0.000 0.313 578 F C -1.696 174.287 175.800 0.304 0.000 1.130 578 F CA -0.849 57.394 58.000 0.406 0.000 0.936 578 F CB 1.501 40.751 39.000 0.416 0.000 1.219 578 F HN 0.385 nan 8.300 nan 0.000 0.445 579 D N 4.368 124.478 120.400 -0.483 0.000 2.427 579 D HA 0.455 4.714 4.640 -0.634 0.000 0.226 579 D C 0.266 176.010 176.300 -0.926 0.000 1.076 579 D CA 0.116 53.875 54.000 -0.403 0.000 0.849 579 D CB 1.681 42.481 40.800 0.000 0.000 1.052 579 D HN 0.792 nan 8.370 nan 0.000 0.515 580 G N 1.446 109.762 108.800 -0.807 0.000 2.940 580 G HA2 0.311 3.890 3.960 -0.634 0.000 0.164 580 G HA3 0.311 3.890 3.960 -0.634 0.000 0.164 580 G C 0.025 174.644 174.900 -0.467 0.000 1.326 580 G CA -0.704 43.836 45.100 -0.934 0.000 1.020 580 G HN 0.291 nan 8.290 nan 0.000 0.586 581 R N -0.479 119.827 120.500 -0.323 0.000 2.585 581 R HA 0.364 4.324 4.340 -0.634 0.000 0.275 581 R C 1.230 177.566 176.300 0.060 0.000 1.018 581 R CA 1.478 57.577 56.100 -0.002 0.000 1.072 581 R CB 0.451 30.793 30.300 0.071 0.000 0.953 581 R HN 1.090 nan 8.270 nan 0.000 0.419 582 G N 1.175 110.033 108.800 0.096 0.000 2.234 582 G HA2 -0.333 3.246 3.960 -0.634 0.000 0.235 582 G HA3 -0.333 3.246 3.960 -0.634 0.000 0.235 582 G C 0.186 175.105 174.900 0.031 0.000 0.997 582 G CA 0.224 45.371 45.100 0.078 0.000 0.623 582 G HN 0.734 nan 8.290 nan 0.000 0.514 583 S N 0.234 115.955 115.700 0.035 0.000 2.600 583 S HA 0.676 4.765 4.470 -0.634 0.000 0.265 583 S C 0.846 175.459 174.600 0.021 0.000 1.325 583 S CA 0.558 58.787 58.200 0.047 0.000 1.002 583 S CB 1.765 65.006 63.200 0.069 0.000 0.921 583 S HN 1.691 nan 8.310 nan 0.000 0.554 584 G N -1.068 107.725 108.800 -0.012 0.000 2.705 584 G HA2 0.516 4.095 3.960 -0.634 0.000 0.299 584 G HA3 0.516 4.095 3.960 -0.634 0.000 0.299 584 G C -1.023 173.791 174.900 -0.143 0.000 1.315 584 G CA -1.028 43.915 45.100 -0.261 0.000 1.045 584 G HN 0.952 nan 8.290 nan 0.000 0.517 585 Y N -2.346 117.989 120.300 0.057 0.000 4.668 585 Y HA -0.210 3.959 4.550 -0.635 0.000 0.234 585 Y C 1.367 177.327 175.900 0.101 0.000 1.056 585 Y CA 1.067 59.210 58.100 0.072 0.000 2.025 585 Y CB -2.089 36.420 38.460 0.082 0.000 1.613 585 Y HN 0.523 nan 8.280 nan 0.000 0.653 586 Q N -0.018 119.861 119.800 0.131 0.000 2.084 586 Q HA 0.510 4.469 4.340 -0.634 0.000 0.230 586 Q C 0.870 176.881 176.000 0.019 0.000 0.806 586 Q CA 0.219 56.134 55.803 0.186 0.000 1.083 586 Q CB 1.597 30.452 28.738 0.195 0.000 1.208 586 Q HN 0.575 nan 8.270 nan 0.000 0.462 587 G N 0.676 109.367 108.800 -0.182 0.000 2.690 587 G HA2 -0.184 3.396 3.960 -0.634 0.000 0.686 587 G HA3 -0.184 3.396 3.960 -0.634 0.000 0.686 587 G C -0.433 174.158 174.900 -0.514 0.000 1.277 587 G CA -0.555 44.171 45.100 -0.623 0.000 0.799 587 G HN 0.126 nan 8.290 nan 0.000 0.613 588 D N 0.327 120.358 120.400 -0.615 0.000 2.178 588 D HA -0.046 4.213 4.640 -0.634 0.000 0.202 588 D C 2.394 178.388 176.300 -0.509 0.000 0.974 588 D CA 1.343 54.893 54.000 -0.750 0.000 0.841 588 D CB 0.008 40.305 40.800 -0.839 0.000 0.953 588 D HN 0.607 nan 8.370 nan 0.000 0.478 589 K N 0.193 120.376 120.400 -0.362 0.000 2.063 589 K HA -0.095 3.844 4.320 -0.634 0.000 0.208 589 K C 2.176 178.715 176.600 -0.102 0.000 1.048 589 K CA 0.840 57.011 56.287 -0.194 0.000 0.928 589 K CB 0.009 32.406 32.500 -0.172 0.000 0.713 589 K HN 0.180 nan 8.250 nan 0.000 0.442 590 I N 0.243 120.755 120.570 -0.096 0.000 2.277 590 I HA -0.199 3.591 4.170 -0.634 0.000 0.243 590 I C 2.537 178.669 176.117 0.025 0.000 1.094 590 I CA 0.773 62.102 61.300 0.048 0.000 1.393 590 I CB -0.044 38.041 38.000 0.141 0.000 1.078 590 I HN 0.209 nan 8.210 nan 0.000 0.417 591 M N 0.139 119.679 119.600 -0.100 0.000 2.132 591 M HA -0.229 3.870 4.480 -0.634 0.000 0.263 591 M C 1.957 178.300 176.300 0.072 0.000 1.065 591 M CA 1.997 57.258 55.300 -0.064 0.000 1.122 591 M CB -0.309 32.154 32.600 -0.228 0.000 1.365 591 M HN 0.265 nan 8.290 nan 0.000 0.411 592 H N -0.670 118.295 119.070 -0.175 0.000 2.547 592 H HA 0.151 4.327 4.556 -0.635 0.000 0.266 592 H C 1.915 177.267 175.328 0.039 0.000 0.988 592 H CA 0.124 56.070 56.048 -0.170 0.000 1.147 592 H CB 0.117 29.677 29.762 -0.337 0.000 1.365 592 H HN 0.538 nan 8.280 nan 0.000 0.589 593 A N 1.667 124.602 122.820 0.191 0.000 1.986 593 A HA -0.161 3.778 4.320 -0.634 0.000 0.220 593 A C 2.120 179.926 177.584 0.371 0.000 1.171 593 A CA 1.333 53.515 52.037 0.242 0.000 0.640 593 A CB -0.704 18.406 19.000 0.182 0.000 0.811 593 A HN 0.604 nan 8.150 nan 0.000 0.451 594 I N -3.026 117.717 120.570 0.288 0.000 3.810 594 I HA 0.137 3.926 4.170 -0.634 0.000 0.322 594 I C 0.427 176.605 176.117 0.101 0.000 1.288 594 I CA -0.398 61.005 61.300 0.172 0.000 1.143 594 I CB -0.649 37.415 38.000 0.107 0.000 1.012 594 I HN 0.236 nan 8.210 nan 0.000 0.423 595 N N 2.946 121.762 118.700 0.193 0.000 2.412 595 N HA -0.073 4.287 4.740 -0.634 0.000 0.258 595 N C 0.170 175.671 175.510 -0.015 0.000 1.236 595 N CA 0.257 53.413 53.050 0.177 0.000 0.882 595 N CB 0.339 38.917 38.487 0.151 0.000 1.066 595 N HN 0.391 nan 8.380 nan 0.000 0.465 596 R N 0.300 120.757 120.500 -0.071 0.000 4.000 596 R HA -0.207 3.752 4.340 -0.634 0.000 0.348 596 R C -0.194 175.960 176.300 -0.243 0.000 1.204 596 R CA 1.558 57.552 56.100 -0.177 0.000 0.987 596 R CB -1.490 28.696 30.300 -0.191 0.000 1.446 596 R HN 0.780 nan 8.270 nan 0.000 0.555 597 R N -0.097 120.295 120.500 -0.179 0.000 2.583 597 R HA 0.269 4.229 4.340 -0.634 0.000 0.282 597 R C -0.436 175.817 176.300 -0.078 0.000 1.288 597 R CA -0.674 55.360 56.100 -0.109 0.000 1.415 597 R CB 0.240 30.411 30.300 -0.215 0.000 1.331 597 R HN -0.030 nan 8.270 nan 0.000 0.719 598 L N 0.905 122.059 121.223 -0.114 0.000 2.483 598 L HA 0.231 4.190 4.340 -0.634 0.000 0.276 598 L C 1.239 178.246 176.870 0.228 0.000 1.213 598 L CA 1.463 56.297 54.840 -0.011 0.000 0.843 598 L CB 0.553 42.418 42.059 -0.323 0.000 1.107 598 L HN 0.838 nan 8.230 nan 0.000 0.487 599 G N 0.743 109.769 108.800 0.377 0.000 2.157 599 G HA2 -0.305 3.274 3.960 -0.634 0.000 0.248 599 G HA3 -0.305 3.274 3.960 -0.634 0.000 0.248 599 G C 0.530 175.493 174.900 0.106 0.000 0.979 599 G CA 0.607 45.900 45.100 0.323 0.000 0.650 599 G HN 0.801 nan 8.290 nan 0.000 0.529 600 T N -2.813 111.769 114.554 0.046 0.000 3.507 600 T HA 0.455 4.425 4.350 -0.634 0.000 0.197 600 T C 1.740 176.475 174.700 0.059 0.000 0.847 600 T CA 1.064 63.130 62.100 -0.058 0.000 1.531 600 T CB -0.204 68.465 68.868 -0.332 0.000 1.834 600 T HN 0.138 nan 8.240 nan 0.000 0.433 601 F N 3.482 123.482 119.950 0.082 0.000 2.161 601 F HA 0.067 4.214 4.527 -0.634 0.000 0.300 601 F C 2.785 178.629 175.800 0.073 0.000 1.089 601 F CA 1.054 59.090 58.000 0.060 0.000 1.282 601 F CB -0.807 38.212 39.000 0.031 0.000 1.010 601 F HN 0.512 nan 8.300 nan 0.000 0.485 602 E N 0.671 121.029 120.200 0.263 0.000 2.152 602 E HA -0.103 3.866 4.350 -0.634 0.000 0.192 602 E C 2.118 178.828 176.600 0.184 0.000 0.983 602 E CA 1.272 57.790 56.400 0.197 0.000 0.818 602 E CB -1.016 28.793 29.700 0.182 0.000 0.758 602 E HN 0.291 nan 8.360 nan 0.000 0.467 603 V N 1.765 121.772 119.914 0.155 0.000 2.323 603 V HA -0.200 3.539 4.120 -0.634 0.000 0.244 603 V C 2.327 178.486 176.094 0.107 0.000 1.041 603 V CA 2.093 64.445 62.300 0.086 0.000 1.025 603 V CB -0.557 31.271 31.823 0.008 0.000 0.656 603 V HN 0.214 nan 8.190 nan 0.000 0.451 604 E N 0.049 120.334 120.200 0.141 0.000 2.118 604 E HA -0.247 3.722 4.350 -0.634 0.000 0.195 604 E C 1.879 178.573 176.600 0.156 0.000 0.992 604 E CA 1.500 57.990 56.400 0.150 0.000 0.804 604 E CB -0.174 29.647 29.700 0.201 0.000 0.741 604 E HN 0.565 nan 8.360 nan 0.000 0.458 605 D N 0.188 120.706 120.400 0.197 0.000 2.183 605 D HA -0.112 4.147 4.640 -0.634 0.000 0.203 605 D C 1.971 178.383 176.300 0.188 0.000 0.969 605 D CA 0.685 54.811 54.000 0.211 0.000 0.842 605 D CB -0.029 40.924 40.800 0.255 0.000 0.957 605 D HN 0.103 nan 8.370 nan 0.000 0.484 606 Q N 0.159 120.093 119.800 0.223 0.000 2.079 606 Q HA -0.031 3.929 4.340 -0.634 0.000 0.200 606 Q C 2.552 178.650 176.000 0.164 0.000 0.974 606 Q CA 0.530 56.475 55.803 0.235 0.000 0.840 606 Q CB -0.102 28.765 28.738 0.216 0.000 0.898 606 Q HN 0.415 nan 8.270 nan 0.000 0.430 607 I N 0.710 121.379 120.570 0.166 0.000 2.142 607 I HA -0.261 3.528 4.170 -0.634 0.000 0.240 607 I C 2.517 178.636 176.117 0.003 0.000 1.078 607 I CA 1.225 62.647 61.300 0.203 0.000 1.343 607 I CB -0.265 37.840 38.000 0.176 0.000 1.046 607 I HN 0.259 nan 8.210 nan 0.000 0.405 608 E N 1.094 121.262 120.200 -0.053 0.000 2.077 608 E HA -0.248 3.721 4.350 -0.634 0.000 0.193 608 E C 2.260 178.635 176.600 -0.374 0.000 0.989 608 E CA 1.343 57.648 56.400 -0.159 0.000 0.800 608 E CB -0.028 29.613 29.700 -0.098 0.000 0.746 608 E HN 0.489 nan 8.360 nan 0.000 0.452 609 A N 0.098 122.577 122.820 -0.568 0.000 1.898 609 A HA -0.150 3.789 4.320 -0.634 0.000 0.216 609 A C 2.364 179.219 177.584 -1.214 0.000 1.181 609 A CA 1.914 53.276 52.037 -1.125 0.000 0.620 609 A CB -0.852 17.078 19.000 -1.785 0.000 0.819 609 A HN 0.306 nan 8.150 nan 0.000 0.442 610 T N -0.789 113.431 114.554 -0.557 0.000 2.788 610 T HA -0.139 3.830 4.350 -0.634 0.000 0.268 610 T C 2.039 176.558 174.700 -0.301 0.000 1.044 610 T CA 1.482 63.442 62.100 -0.233 0.000 1.139 610 T CB -0.223 68.658 68.868 0.020 0.000 0.867 610 T HN 0.565 nan 8.240 nan 0.000 0.454 611 R N 0.851 121.161 120.500 -0.317 0.000 2.083 611 R HA -0.109 3.850 4.340 -0.634 0.000 0.237 611 R C 2.544 178.679 176.300 -0.275 0.000 1.137 611 R CA 1.459 57.405 56.100 -0.257 0.000 0.951 611 R CB -0.131 30.048 30.300 -0.202 0.000 0.851 611 R HN 0.474 nan 8.270 nan 0.000 0.434 612 Q N -0.619 118.941 119.800 -0.400 0.000 2.050 612 Q HA -0.176 3.783 4.340 -0.634 0.000 0.202 612 Q C 2.022 177.857 176.000 -0.275 0.000 0.980 612 Q CA 1.632 57.214 55.803 -0.368 0.000 0.840 612 Q CB -0.172 28.272 28.738 -0.491 0.000 0.898 612 Q HN 0.322 nan 8.270 nan 0.000 0.424 613 F N 1.069 120.855 119.950 -0.274 0.000 2.161 613 F HA -0.198 3.948 4.527 -0.635 0.000 0.300 613 F C 2.766 178.408 175.800 -0.263 0.000 1.089 613 F CA 1.372 59.206 58.000 -0.277 0.000 1.282 613 F CB -1.266 37.582 39.000 -0.254 0.000 1.010 613 F HN 0.096 nan 8.300 nan 0.000 0.485 614 S N -0.235 115.425 115.700 -0.066 0.000 2.442 614 S HA -0.142 3.947 4.470 -0.634 0.000 0.236 614 S C 1.837 176.344 174.600 -0.155 0.000 1.007 614 S CA 0.660 58.783 58.200 -0.127 0.000 0.965 614 S CB -0.369 62.740 63.200 -0.152 0.000 0.773 614 S HN 0.254 nan 8.310 nan 0.000 0.504 615 K N 0.988 121.298 120.400 -0.149 0.000 2.217 615 K HA 0.184 4.123 4.320 -0.634 0.000 0.202 615 K C 0.749 177.247 176.600 -0.170 0.000 1.051 615 K CA 0.286 56.491 56.287 -0.136 0.000 0.952 615 K CB -0.560 31.873 32.500 -0.112 0.000 0.736 615 K HN 0.542 nan 8.250 nan 0.000 0.453 616 M N 0.705 120.147 119.600 -0.263 0.000 2.284 616 M HA -0.014 4.085 4.480 -0.634 0.000 0.351 616 M C 1.577 177.608 176.300 -0.448 0.000 1.443 616 M CA 0.221 55.258 55.300 -0.438 0.000 1.031 616 M CB 0.544 32.601 32.600 -0.904 0.000 1.893 616 M HN 0.157 nan 8.290 nan 0.000 0.456 617 G N 3.214 111.887 108.800 -0.210 0.000 2.499 617 G HA2 -0.221 3.358 3.960 -0.634 0.000 0.221 617 G HA3 -0.221 3.358 3.960 -0.634 0.000 0.221 617 G C 0.850 175.743 174.900 -0.012 0.000 1.109 617 G CA 0.709 45.770 45.100 -0.067 0.000 0.749 617 G HN 0.855 nan 8.290 nan 0.000 0.568 618 F N -0.254 119.774 119.950 0.130 0.000 2.797 618 F HA 0.577 4.723 4.527 -0.635 0.000 0.302 618 F C 0.078 176.015 175.800 0.229 0.000 1.130 618 F CA -1.204 56.919 58.000 0.205 0.000 1.387 618 F CB -0.219 39.006 39.000 0.375 0.000 1.107 618 F HN -0.167 nan 8.300 nan 0.000 0.577 619 V N 1.772 121.580 119.914 -0.176 0.000 2.435 619 V HA 0.170 3.910 4.120 -0.634 0.000 0.290 619 V C -0.615 175.438 176.094 -0.069 0.000 1.030 619 V CA -0.829 61.423 62.300 -0.080 0.000 0.881 619 V CB 1.431 33.126 31.823 -0.213 0.000 0.983 619 V HN 0.064 nan 8.190 nan 0.000 0.445 620 D N 3.888 124.256 120.400 -0.053 0.000 2.393 620 D HA 0.062 4.321 4.640 -0.634 0.000 0.232 620 D C 1.161 177.397 176.300 -0.107 0.000 1.192 620 D CA -0.330 53.615 54.000 -0.091 0.000 0.882 620 D CB 0.913 41.639 40.800 -0.125 0.000 1.038 620 D HN 0.720 nan 8.370 nan 0.000 0.499 621 D N 2.632 122.973 120.400 -0.099 0.000 2.350 621 D HA -0.175 4.085 4.640 -0.634 0.000 0.216 621 D C 0.725 176.973 176.300 -0.087 0.000 0.968 621 D CA 0.378 54.315 54.000 -0.105 0.000 0.894 621 D CB 0.291 41.027 40.800 -0.107 0.000 0.909 621 D HN 0.181 nan 8.370 nan 0.000 0.520 622 K N 0.032 120.390 120.400 -0.070 0.000 2.444 622 K HA 0.178 4.118 4.320 -0.634 0.000 0.193 622 K C 0.430 177.021 176.600 -0.013 0.000 1.024 622 K CA 0.090 56.354 56.287 -0.039 0.000 1.077 622 K CB 0.460 32.941 32.500 -0.032 0.000 0.833 622 K HN 0.032 nan 8.250 nan 0.000 0.517 623 R N 0.657 121.123 120.500 -0.058 0.000 2.644 623 R HA 0.366 4.325 4.340 -0.634 0.000 0.271 623 R C -0.990 175.259 176.300 -0.085 0.000 1.687 623 R CA -0.106 55.956 56.100 -0.062 0.000 1.655 623 R CB 0.582 30.694 30.300 -0.312 0.000 1.285 623 R HN 0.008 nan 8.270 nan 0.000 0.643 624 I N 1.067 121.718 120.570 0.135 0.000 2.433 624 I HA 0.609 4.398 4.170 -0.634 0.000 0.292 624 I C -0.069 176.333 176.117 0.476 0.000 1.001 624 I CA -0.785 60.632 61.300 0.195 0.000 1.119 624 I CB 2.029 40.001 38.000 -0.047 0.000 1.289 624 I HN 0.338 nan 8.210 nan 0.000 0.438 625 A N 6.760 129.959 122.820 0.632 0.000 2.435 625 A HA 0.931 4.870 4.320 -0.634 0.000 0.296 625 A C -1.231 176.717 177.584 0.605 0.000 1.147 625 A CA -0.642 51.754 52.037 0.598 0.000 0.775 625 A CB 2.090 21.349 19.000 0.432 0.000 1.340 625 A HN 0.724 nan 8.150 nan 0.000 0.427 626 I N 0.465 121.316 120.570 0.469 0.000 2.752 626 I HA 0.699 4.488 4.170 -0.634 0.000 0.295 626 I C -1.867 174.509 176.117 0.433 0.000 1.219 626 I CA -0.536 60.982 61.300 0.364 0.000 1.030 626 I CB 1.604 39.580 38.000 -0.040 0.000 1.259 626 I HN 0.931 nan 8.210 nan 0.000 0.423 627 W N 7.036 128.477 121.300 0.236 0.000 3.118 627 W HA 0.883 5.159 4.660 -0.640 0.000 0.328 627 W C -1.391 175.284 176.519 0.260 0.000 1.239 627 W CA -1.046 56.446 57.345 0.244 0.000 1.176 627 W CB 1.133 30.794 29.460 0.334 0.000 1.433 627 W HN 0.837 nan 8.180 nan 0.000 0.562 628 G N 0.629 109.364 108.800 -0.108 0.000 2.547 628 G HA2 0.441 4.020 3.960 -0.634 0.000 0.291 628 G HA3 0.441 4.020 3.960 -0.634 0.000 0.291 628 G C -2.810 172.037 174.900 -0.087 0.000 1.471 628 G CA -0.763 44.111 45.100 -0.376 0.000 0.798 628 G HN 0.598 nan 8.290 nan 0.000 0.504 629 W N 1.041 122.218 121.300 -0.204 0.000 2.632 629 W HA 0.601 4.884 4.660 -0.628 0.000 0.328 629 W C 0.830 177.400 176.519 0.084 0.000 1.044 629 W CA 0.417 57.735 57.345 -0.045 0.000 1.225 629 W CB 1.841 31.271 29.460 -0.051 0.000 1.396 629 W HN 1.188 nan 8.180 nan 0.000 0.499 630 S N 2.714 118.657 115.700 0.404 0.000 4.140 630 S HA -0.428 3.662 4.470 -0.634 0.000 0.618 630 S C 1.145 175.843 174.600 0.163 0.000 1.896 630 S CA 1.855 60.282 58.200 0.380 0.000 4.240 630 S CB -1.827 61.748 63.200 0.626 0.000 0.208 630 S HN 0.711 nan 8.310 nan 0.000 0.487 631 Y N 2.417 122.716 120.300 -0.002 0.000 2.224 631 Y HA 0.062 4.233 4.550 -0.632 0.000 0.289 631 Y C 2.386 178.184 175.900 -0.171 0.000 1.146 631 Y CA 2.504 60.482 58.100 -0.203 0.000 1.182 631 Y CB -1.011 37.096 38.460 -0.588 0.000 0.983 631 Y HN 0.514 nan 8.280 nan 0.000 0.524 632 G N -1.047 107.736 108.800 -0.029 0.000 2.448 632 G HA2 -0.206 3.373 3.960 -0.634 0.000 0.219 632 G HA3 -0.206 3.373 3.960 -0.634 0.000 0.219 632 G C 1.870 176.795 174.900 0.042 0.000 1.127 632 G CA 0.729 45.862 45.100 0.055 0.000 0.766 632 G HN 0.572 nan 8.290 nan 0.000 0.552 633 G N -0.241 108.595 108.800 0.059 0.000 2.403 633 G HA2 -0.181 3.398 3.960 -0.634 0.000 0.216 633 G HA3 -0.181 3.398 3.960 -0.634 0.000 0.216 633 G C 1.567 176.482 174.900 0.024 0.000 1.154 633 G CA 0.957 46.081 45.100 0.039 0.000 0.784 633 G HN 0.399 nan 8.290 nan 0.000 0.538 634 Y N 1.493 121.688 120.300 -0.174 0.000 2.145 634 Y HA -0.140 4.027 4.550 -0.637 0.000 0.286 634 Y C 2.741 178.535 175.900 -0.177 0.000 1.145 634 Y CA 1.678 59.620 58.100 -0.262 0.000 1.148 634 Y CB -0.427 37.716 38.460 -0.528 0.000 0.981 634 Y HN 0.028 nan 8.280 nan 0.000 0.507 635 V N -0.485 119.292 119.914 -0.229 0.000 2.427 635 V HA -0.293 3.446 4.120 -0.634 0.000 0.248 635 V C 2.308 178.286 176.094 -0.194 0.000 1.051 635 V CA 2.323 64.489 62.300 -0.224 0.000 1.048 635 V CB -1.164 30.673 31.823 0.023 0.000 0.666 635 V HN 0.469 nan 8.190 nan 0.000 0.456 636 T N -0.027 114.466 114.554 -0.102 0.000 2.720 636 T HA -0.193 3.777 4.350 -0.634 0.000 0.268 636 T C 2.153 176.786 174.700 -0.112 0.000 1.037 636 T CA 2.032 64.085 62.100 -0.079 0.000 1.144 636 T CB -0.242 68.662 68.868 0.059 0.000 0.864 636 T HN 0.526 nan 8.240 nan 0.000 0.444 637 S N 1.028 116.688 115.700 -0.066 0.000 2.368 637 S HA -0.000 4.089 4.470 -0.634 0.000 0.224 637 S C 2.134 176.636 174.600 -0.164 0.000 1.029 637 S CA 0.885 59.068 58.200 -0.028 0.000 0.988 637 S CB -0.260 62.969 63.200 0.050 0.000 0.838 637 S HN 0.312 nan 8.310 nan 0.000 0.462 638 M N 1.007 120.418 119.600 -0.316 0.000 2.159 638 M HA -0.023 4.076 4.480 -0.634 0.000 0.263 638 M C 2.187 178.321 176.300 -0.277 0.000 1.063 638 M CA 1.042 56.145 55.300 -0.328 0.000 1.110 638 M CB -1.410 30.896 32.600 -0.489 0.000 1.374 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.495 120.233 119.914 -0.294 0.000 2.358 639 V HA -0.226 3.513 4.120 -0.634 0.000 0.246 639 V C 2.486 178.361 176.094 -0.364 0.000 1.047 639 V CA 1.306 63.422 62.300 -0.306 0.000 1.035 639 V CB -0.565 30.997 31.823 -0.435 0.000 0.658 639 V HN 0.399 nan 8.190 nan 0.000 0.452 640 L N 0.339 121.280 121.223 -0.469 0.000 2.201 640 L HA -0.035 3.924 4.340 -0.634 0.000 0.212 640 L C 2.265 178.605 176.870 -0.884 0.000 1.105 640 L CA 1.462 55.938 54.840 -0.608 0.000 0.775 640 L CB -0.727 40.917 42.059 -0.691 0.000 0.913 640 L HN 0.482 nan 8.230 nan 0.000 0.440 641 G N -1.223 107.066 108.800 -0.852 0.000 3.141 641 G HA2 0.160 3.739 3.960 -0.634 0.000 0.218 641 G HA3 0.160 3.739 3.960 -0.634 0.000 0.218 641 G C 1.454 176.197 174.900 -0.261 0.000 1.170 641 G CA 0.505 45.230 45.100 -0.625 0.000 0.769 641 G HN 0.374 nan 8.290 nan 0.000 0.546 642 A N -0.008 122.679 122.820 -0.220 0.000 2.167 642 A HA 0.439 4.378 4.320 -0.634 0.000 0.214 642 A C 2.099 179.642 177.584 -0.068 0.000 1.151 642 A CA 1.200 53.174 52.037 -0.105 0.000 0.735 642 A CB -0.401 18.560 19.000 -0.064 0.000 0.802 642 A HN 1.419 nan 8.150 nan 0.000 0.467 643 G N 0.070 108.817 108.800 -0.088 0.000 2.249 643 G HA2 -0.312 3.267 3.960 -0.634 0.000 0.273 643 G HA3 -0.312 3.267 3.960 -0.634 0.000 0.273 643 G C 1.036 175.930 174.900 -0.010 0.000 1.036 643 G CA 1.302 46.374 45.100 -0.046 0.000 0.824 643 G HN 1.417 nan 8.290 nan 0.000 0.504 644 S N -1.164 114.546 115.700 0.016 0.000 2.428 644 S HA 0.313 4.402 4.470 -0.634 0.000 0.230 644 S C 2.475 177.087 174.600 0.021 0.000 1.014 644 S CA 1.525 59.748 58.200 0.038 0.000 0.957 644 S CB -0.121 63.138 63.200 0.098 0.000 0.784 644 S HN 2.390 nan 8.310 nan 0.000 0.499 645 G N 0.022 108.840 108.800 0.030 0.000 2.179 645 G HA2 -0.282 3.298 3.960 -0.634 0.000 0.260 645 G HA3 -0.282 3.298 3.960 -0.634 0.000 0.260 645 G C 0.730 175.616 174.900 -0.024 0.000 0.977 645 G CA 0.383 45.487 45.100 0.008 0.000 0.641 645 G HN 0.674 nan 8.290 nan 0.000 0.533 646 V N -0.521 119.365 119.914 -0.047 0.000 2.535 646 V HA 0.304 4.044 4.120 -0.634 0.000 0.246 646 V C 1.156 177.010 176.094 -0.399 0.000 1.045 646 V CA 1.372 63.506 62.300 -0.276 0.000 1.058 646 V CB -0.310 31.235 31.823 -0.463 0.000 0.689 646 V HN 0.286 nan 8.190 nan 0.000 0.461 647 F N 0.172 120.139 119.950 0.028 0.000 2.420 647 F HA 0.404 4.552 4.527 -0.632 0.000 0.342 647 F C 1.111 176.956 175.800 0.075 0.000 1.113 647 F CA -0.526 57.516 58.000 0.070 0.000 1.059 647 F CB 1.404 40.444 39.000 0.068 0.000 1.128 647 F HN -0.228 nan 8.300 nan 0.000 0.475 648 K N 1.796 122.359 120.400 0.271 0.000 2.137 648 K HA 0.093 4.032 4.320 -0.634 0.000 0.202 648 K C -0.059 176.676 176.600 0.226 0.000 1.052 648 K CA 0.957 57.370 56.287 0.208 0.000 0.961 648 K CB 0.252 32.876 32.500 0.206 0.000 0.741 648 K HN 0.814 nan 8.250 nan 0.000 0.452 649 c N -3.134 115.642 118.600 0.294 0.000 3.320 649 c HA 0.902 5.092 4.570 -0.634 0.000 0.335 649 c C -0.234 174.090 174.090 0.390 0.000 1.430 649 c CA -0.540 55.984 56.329 0.325 0.000 1.271 649 c CB 1.083 43.724 42.510 0.220 0.000 1.609 649 c HN 0.366 nan 8.230 nan 0.000 0.457 650 G N -0.242 108.850 108.800 0.487 0.000 2.547 650 G HA2 0.683 4.262 3.960 -0.634 0.000 0.291 650 G HA3 0.683 4.262 3.960 -0.634 0.000 0.291 650 G C -2.106 173.013 174.900 0.365 0.000 1.471 650 G CA -0.671 44.681 45.100 0.421 0.000 0.798 650 G HN 1.039 nan 8.290 nan 0.000 0.504 651 I N 0.685 121.437 120.570 0.303 0.000 2.478 651 I HA 0.603 4.392 4.170 -0.634 0.000 0.287 651 I C 0.134 176.369 176.117 0.198 0.000 1.042 651 I CA -0.972 60.388 61.300 0.100 0.000 1.067 651 I CB 2.181 40.237 38.000 0.095 0.000 1.233 651 I HN 0.686 nan 8.210 nan 0.000 0.431 652 A N 6.552 129.395 122.820 0.038 0.000 2.287 652 A HA 0.779 4.718 4.320 -0.634 0.000 0.317 652 A C -0.712 176.802 177.584 -0.116 0.000 1.220 652 A CA -0.500 51.568 52.037 0.052 0.000 0.835 652 A CB 1.130 20.223 19.000 0.155 0.000 1.180 652 A HN 0.445 nan 8.150 nan 0.000 0.500 653 V N 2.197 122.001 119.914 -0.183 0.000 2.417 653 V HA 0.565 4.304 4.120 -0.634 0.000 0.291 653 V C 0.919 176.664 176.094 -0.581 0.000 1.024 653 V CA 0.346 62.335 62.300 -0.519 0.000 0.861 653 V CB 0.838 32.074 31.823 -0.978 0.000 0.985 653 V HN 2.080 nan 8.190 nan 0.000 0.436 654 A N 5.709 128.154 122.820 -0.625 0.000 2.511 654 A HA -0.104 3.836 4.320 -0.634 0.000 0.297 654 A C -1.756 175.667 177.584 -0.268 0.000 1.476 654 A CA 0.425 51.978 52.037 -0.807 0.000 0.757 654 A CB -1.568 17.111 19.000 -0.534 0.000 1.072 654 A HN 0.610 nan 8.150 nan 0.000 0.413 655 P HA 0.420 nan 4.420 nan 0.000 0.277 655 P C 0.165 177.425 177.300 -0.066 0.000 1.240 655 P CA -0.233 62.841 63.100 -0.043 0.000 0.798 655 P CB 1.307 33.009 31.700 0.002 0.000 0.979 656 V N 2.128 121.910 119.914 -0.221 0.000 2.649 656 V HA 0.093 3.833 4.120 -0.634 0.000 0.292 656 V C 1.664 177.578 176.094 -0.299 0.000 1.055 656 V CA 0.873 62.895 62.300 -0.462 0.000 1.023 656 V CB 0.851 31.983 31.823 -1.152 0.000 0.992 656 V HN 0.834 nan 8.190 nan 0.000 0.480 657 S N 2.706 118.261 115.700 -0.241 0.000 2.593 657 S HA 0.306 4.395 4.470 -0.634 0.000 0.235 657 S C 0.288 174.756 174.600 -0.219 0.000 1.059 657 S CA -0.262 57.872 58.200 -0.111 0.000 0.953 657 S CB 0.285 63.470 63.200 -0.025 0.000 0.897 657 S HN 0.650 nan 8.310 nan 0.000 0.507 658 K N -0.370 119.789 120.400 -0.402 0.000 2.589 658 K HA 0.294 4.234 4.320 -0.634 0.000 0.253 658 K C -1.051 175.256 176.600 -0.487 0.000 0.974 658 K CA -0.668 55.326 56.287 -0.487 0.000 0.835 658 K CB 0.706 32.771 32.500 -0.726 0.000 1.272 658 K HN 0.151 nan 8.250 nan 0.000 0.444 659 W N 2.169 123.433 121.300 -0.059 0.000 2.374 659 W HA -0.102 4.183 4.660 -0.625 0.000 0.288 659 W C 1.257 177.921 176.519 0.242 0.000 1.218 659 W CA 0.776 58.173 57.345 0.087 0.000 1.245 659 W CB 0.264 29.727 29.460 0.005 0.000 1.126 659 W HN 0.749 nan 8.180 nan 0.000 0.545 660 E N -0.969 119.400 120.200 0.282 0.000 2.333 660 E HA -0.205 3.764 4.350 -0.634 0.000 0.198 660 E C 1.293 178.016 176.600 0.205 0.000 1.007 660 E CA 0.879 57.369 56.400 0.150 0.000 0.845 660 E CB -0.250 29.418 29.700 -0.052 0.000 0.766 660 E HN 0.380 nan 8.360 nan 0.000 0.507 661 Y N -1.517 118.873 120.300 0.149 0.000 2.523 661 Y HA 0.059 4.240 4.550 -0.615 0.000 0.279 661 Y C 0.683 176.676 175.900 0.154 0.000 1.139 661 Y CA -0.290 57.867 58.100 0.094 0.000 1.296 661 Y CB -0.358 38.103 38.460 0.002 0.000 1.045 661 Y HN 0.014 nan 8.280 nan 0.000 0.538 662 Y N 1.914 122.360 120.300 0.244 0.000 2.334 662 Y HA 0.271 4.438 4.550 -0.640 0.000 0.325 662 Y C 0.372 176.467 175.900 0.325 0.000 1.308 662 Y CA -2.095 56.152 58.100 0.244 0.000 1.389 662 Y CB 0.316 38.955 38.460 0.298 0.000 1.328 662 Y HN 0.194 nan 8.280 nan 0.000 0.532 663 D N -0.663 119.413 120.400 -0.540 0.000 2.382 663 D HA 0.087 4.346 4.640 -0.634 0.000 0.240 663 D C 0.970 177.232 176.300 -0.064 0.000 1.146 663 D CA 0.380 54.148 54.000 -0.386 0.000 0.897 663 D CB 0.827 41.186 40.800 -0.736 0.000 1.197 663 D HN 0.470 nan 8.370 nan 0.000 0.432 664 S N 1.088 116.767 115.700 -0.036 0.000 2.359 664 S HA -0.228 3.862 4.470 -0.634 0.000 0.224 664 S C 1.901 176.532 174.600 0.052 0.000 1.035 664 S CA 1.178 59.414 58.200 0.061 0.000 1.018 664 S CB -0.982 62.260 63.200 0.070 0.000 0.876 664 S HN 0.430 nan 8.310 nan 0.000 0.448 665 V N 0.821 120.708 119.914 -0.044 0.000 2.255 665 V HA -0.178 3.561 4.120 -0.634 0.000 0.247 665 V C 2.310 178.340 176.094 -0.106 0.000 1.051 665 V CA 2.283 64.484 62.300 -0.166 0.000 1.018 665 V CB -1.064 30.491 31.823 -0.448 0.000 0.641 665 V HN 0.605 nan 8.190 nan 0.000 0.445 666 Y N 1.276 121.516 120.300 -0.100 0.000 2.130 666 Y HA -0.216 3.956 4.550 -0.630 0.000 0.287 666 Y C 2.753 178.650 175.900 -0.005 0.000 1.124 666 Y CA 2.301 60.411 58.100 0.018 0.000 1.118 666 Y CB -0.664 38.008 38.460 0.354 0.000 0.994 666 Y HN 0.226 nan 8.280 nan 0.000 0.497 667 T N 0.435 115.250 114.554 0.436 0.000 2.684 667 T HA -0.218 3.751 4.350 -0.634 0.000 0.267 667 T C 1.574 176.275 174.700 0.002 0.000 1.036 667 T CA 2.021 64.300 62.100 0.299 0.000 1.148 667 T CB -0.331 68.847 68.868 0.517 0.000 0.863 667 T HN 0.455 nan 8.240 nan 0.000 0.436 668 E N 0.476 120.693 120.200 0.028 0.000 2.150 668 E HA -0.071 3.898 4.350 -0.634 0.000 0.193 668 E C 2.369 178.857 176.600 -0.186 0.000 0.985 668 E CA 0.463 56.859 56.400 -0.007 0.000 0.814 668 E CB -0.117 29.620 29.700 0.062 0.000 0.752 668 E HN 0.332 nan 8.360 nan 0.000 0.466 669 R N 0.100 120.355 120.500 -0.409 0.000 2.105 669 R HA -0.190 3.769 4.340 -0.634 0.000 0.239 669 R C 1.273 177.085 176.300 -0.814 0.000 1.135 669 R CA 1.583 57.281 56.100 -0.669 0.000 0.967 669 R CB -0.013 29.616 30.300 -1.118 0.000 0.861 669 R HN 0.228 nan 8.270 nan 0.000 0.442 670 Y N -2.240 117.753 120.300 -0.512 0.000 2.481 670 Y HA 0.221 4.389 4.550 -0.636 0.000 0.258 670 Y C 1.506 177.180 175.900 -0.376 0.000 1.103 670 Y CA 0.078 57.844 58.100 -0.556 0.000 1.287 670 Y CB 0.549 38.535 38.460 -0.789 0.000 1.108 670 Y HN -0.019 nan 8.280 nan 0.000 0.529 671 M N -0.618 118.842 119.600 -0.232 0.000 2.300 671 M HA 0.377 4.476 4.480 -0.634 0.000 0.313 671 M C 1.004 177.278 176.300 -0.043 0.000 0.988 671 M CA 0.639 55.786 55.300 -0.254 0.000 1.012 671 M CB -0.053 32.181 32.600 -0.611 0.000 1.586 671 M HN 0.299 nan 8.290 nan 0.000 0.562 672 G N 1.966 110.772 108.800 0.009 0.000 2.645 672 G HA2 -0.246 3.333 3.960 -0.634 0.000 0.246 672 G HA3 -0.246 3.333 3.960 -0.634 0.000 0.246 672 G C -0.492 174.534 174.900 0.210 0.000 1.322 672 G CA -0.697 44.453 45.100 0.083 0.000 0.898 672 G HN 0.352 nan 8.290 nan 0.000 0.573 673 L N 1.964 123.288 121.223 0.167 0.000 2.357 673 L HA 0.441 4.401 4.340 -0.634 0.000 0.273 673 L C -1.414 175.488 176.870 0.054 0.000 1.080 673 L CA -1.782 53.126 54.840 0.113 0.000 0.803 673 L CB 1.948 44.028 42.059 0.035 0.000 1.174 673 L HN 0.460 nan 8.230 nan 0.000 0.443 674 P HA 0.074 nan 4.420 nan 0.000 0.218 674 P C -0.619 176.547 177.300 -0.222 0.000 1.793 674 P CA -0.097 62.634 63.100 -0.616 0.000 0.941 674 P CB -0.385 30.622 31.700 -1.155 0.000 1.919 675 T N -2.865 111.645 114.554 -0.072 0.000 2.907 675 T HA 0.456 4.426 4.350 -0.634 0.000 0.292 675 T C -2.061 172.646 174.700 0.012 0.000 1.043 675 T CA -2.401 59.681 62.100 -0.031 0.000 1.003 675 T CB 2.015 70.871 68.868 -0.019 0.000 1.084 675 T HN -0.217 nan 8.240 nan 0.000 0.483 676 P HA -0.093 nan 4.420 nan 0.000 0.218 676 P C 0.789 178.109 177.300 0.034 0.000 1.148 676 P CA 1.192 64.309 63.100 0.029 0.000 0.822 676 P CB 0.131 31.843 31.700 0.019 0.000 0.784 677 E N -0.851 119.363 120.200 0.023 0.000 2.347 677 E HA -0.101 3.868 4.350 -0.634 0.000 0.196 677 E C 1.447 178.065 176.600 0.030 0.000 1.008 677 E CA 0.834 57.247 56.400 0.022 0.000 0.852 677 E CB -0.229 29.478 29.700 0.011 0.000 0.783 677 E HN 0.329 nan 8.360 nan 0.000 0.505 678 D N -0.596 119.829 120.400 0.042 0.000 3.112 678 D HA 0.086 4.346 4.640 -0.634 0.000 0.212 678 D C 0.210 176.564 176.300 0.091 0.000 1.376 678 D CA -0.036 53.998 54.000 0.056 0.000 1.411 678 D CB -0.115 40.718 40.800 0.055 0.000 0.965 678 D HN -0.033 nan 8.370 nan 0.000 0.192 679 N N 0.087 118.877 118.700 0.150 0.000 2.291 679 N HA 0.051 4.410 4.740 -0.634 0.000 0.244 679 N C 1.296 177.023 175.510 0.362 0.000 1.216 679 N CA -0.113 53.076 53.050 0.233 0.000 0.879 679 N CB 0.763 39.379 38.487 0.215 0.000 1.167 679 N HN 0.023 nan 8.380 nan 0.000 0.515 680 L N 1.277 122.636 121.223 0.227 0.000 2.089 680 L HA -0.209 3.751 4.340 -0.634 0.000 0.213 680 L C 1.436 178.441 176.870 0.225 0.000 1.079 680 L CA 1.974 56.922 54.840 0.181 0.000 0.758 680 L CB -0.416 41.675 42.059 0.054 0.000 0.891 680 L HN 0.187 nan 8.230 nan 0.000 0.433 681 D N -1.324 119.196 120.400 0.200 0.000 2.149 681 D HA -0.241 4.018 4.640 -0.634 0.000 0.198 681 D C 1.980 178.334 176.300 0.090 0.000 0.990 681 D CA 1.700 55.780 54.000 0.132 0.000 0.839 681 D CB -0.243 40.634 40.800 0.129 0.000 0.948 681 D HN 0.463 nan 8.370 nan 0.000 0.460 682 Y N -0.793 119.567 120.300 0.101 0.000 2.519 682 Y HA -0.037 4.132 4.550 -0.635 0.000 0.287 682 Y C 1.897 177.847 175.900 0.083 0.000 1.128 682 Y CA 0.225 58.357 58.100 0.053 0.000 1.282 682 Y CB -0.260 38.190 38.460 -0.016 0.000 1.027 682 Y HN 0.027 nan 8.280 nan 0.000 0.551 683 Y N -0.444 119.958 120.300 0.170 0.000 2.243 683 Y HA -0.132 4.036 4.550 -0.636 0.000 0.293 683 Y C 2.362 178.320 175.900 0.097 0.000 1.124 683 Y CA 1.238 59.434 58.100 0.161 0.000 1.159 683 Y CB -0.071 38.462 38.460 0.123 0.000 1.008 683 Y HN -0.107 nan 8.280 nan 0.000 0.527 684 R N 0.307 120.936 120.500 0.216 0.000 2.092 684 R HA -0.114 3.846 4.340 -0.634 0.000 0.231 684 R C 1.238 177.562 176.300 0.040 0.000 1.119 684 R CA 1.412 57.568 56.100 0.093 0.000 0.970 684 R CB -0.377 29.953 30.300 0.050 0.000 0.864 684 R HN 0.397 nan 8.270 nan 0.000 0.440 685 N N 0.040 118.740 118.700 -0.001 0.000 2.276 685 N HA -0.040 4.320 4.740 -0.634 0.000 0.212 685 N C 0.158 175.669 175.510 0.001 0.000 1.127 685 N CA 0.321 53.347 53.050 -0.039 0.000 0.834 685 N CB 0.611 39.023 38.487 -0.125 0.000 1.014 685 N HN 0.031 nan 8.380 nan 0.000 0.491 686 S N -1.681 114.071 115.700 0.086 0.000 2.650 686 S HA 0.092 4.181 4.470 -0.634 0.000 0.240 686 S C 0.501 175.227 174.600 0.210 0.000 1.007 686 S CA -0.431 57.879 58.200 0.183 0.000 0.984 686 S CB -0.641 62.742 63.200 0.305 0.000 0.910 686 S HN 0.332 nan 8.310 nan 0.000 0.509 687 T N -0.843 113.766 114.554 0.092 0.000 2.904 687 T HA 0.499 4.468 4.350 -0.634 0.000 0.290 687 T C 1.346 176.054 174.700 0.014 0.000 1.018 687 T CA -0.531 61.586 62.100 0.029 0.000 1.075 687 T CB 1.290 70.136 68.868 -0.037 0.000 0.986 687 T HN -0.044 nan 8.240 nan 0.000 0.523 688 V N 1.843 121.750 119.914 -0.011 0.000 2.453 688 V HA -0.117 3.622 4.120 -0.634 0.000 0.247 688 V C 2.614 178.667 176.094 -0.068 0.000 1.048 688 V CA 1.521 63.791 62.300 -0.049 0.000 1.049 688 V CB -0.980 30.794 31.823 -0.080 0.000 0.672 688 V HN 0.819 nan 8.190 nan 0.000 0.457 689 M N 1.273 120.819 119.600 -0.090 0.000 2.202 689 M HA -0.165 3.935 4.480 -0.634 0.000 0.262 689 M C 2.322 178.588 176.300 -0.057 0.000 1.063 689 M CA 2.075 57.314 55.300 -0.102 0.000 1.097 689 M CB -0.983 31.571 32.600 -0.078 0.000 1.382 689 M HN 0.526 nan 8.290 nan 0.000 0.413 690 S N -0.107 115.574 115.700 -0.032 0.000 2.500 690 S HA -0.091 3.998 4.470 -0.634 0.000 0.239 690 S C 1.730 176.329 174.600 -0.002 0.000 0.989 690 S CA 0.749 58.939 58.200 -0.017 0.000 0.951 690 S CB -0.409 62.782 63.200 -0.014 0.000 0.759 690 S HN 0.561 nan 8.310 nan 0.000 0.523 691 R N 0.203 120.714 120.500 0.019 0.000 2.468 691 R HA 0.459 4.419 4.340 -0.634 0.000 0.280 691 R C 2.134 178.531 176.300 0.162 0.000 0.963 691 R CA 0.406 56.548 56.100 0.070 0.000 1.083 691 R CB -0.150 30.193 30.300 0.072 0.000 1.200 691 R HN 0.454 nan 8.270 nan 0.000 0.541 692 A N 1.761 124.617 122.820 0.060 0.000 1.915 692 A HA -0.314 3.625 4.320 -0.634 0.000 0.220 692 A C 2.032 179.692 177.584 0.125 0.000 1.198 692 A CA 2.073 54.115 52.037 0.008 0.000 0.647 692 A CB -0.320 18.627 19.000 -0.088 0.000 0.825 692 A HN 0.271 nan 8.150 nan 0.000 0.456 693 E N 0.288 120.538 120.200 0.083 0.000 2.118 693 E HA -0.183 3.786 4.350 -0.634 0.000 0.195 693 E C 1.676 178.336 176.600 0.100 0.000 0.992 693 E CA 1.802 58.249 56.400 0.078 0.000 0.804 693 E CB -0.513 29.213 29.700 0.045 0.000 0.741 693 E HN 0.797 nan 8.360 nan 0.000 0.458 694 N N -1.181 117.575 118.700 0.094 0.000 2.520 694 N HA -0.099 4.260 4.740 -0.634 0.000 0.185 694 N C 0.696 176.196 175.510 -0.016 0.000 1.068 694 N CA 0.186 53.244 53.050 0.014 0.000 0.911 694 N CB -0.108 38.340 38.487 -0.065 0.000 0.961 694 N HN 0.149 nan 8.380 nan 0.000 0.446 695 F N 1.415 121.322 119.950 -0.072 0.000 2.604 695 F HA 0.043 4.193 4.527 -0.628 0.000 0.298 695 F C 1.861 177.669 175.800 0.014 0.000 1.131 695 F CA 0.631 58.587 58.000 -0.075 0.000 1.457 695 F CB 0.044 38.948 39.000 -0.160 0.000 1.095 695 F HN -0.095 nan 8.300 nan 0.000 0.574 696 K N -0.028 120.477 120.400 0.175 0.000 2.360 696 K HA -0.166 3.774 4.320 -0.634 0.000 0.201 696 K C 1.570 178.232 176.600 0.103 0.000 1.046 696 K CA 0.976 57.346 56.287 0.139 0.000 0.945 696 K CB -0.198 32.363 32.500 0.101 0.000 0.750 696 K HN 0.427 nan 8.250 nan 0.000 0.464 697 Q N 0.359 120.198 119.800 0.066 0.000 2.451 697 Q HA 0.008 3.967 4.340 -0.634 0.000 0.206 697 Q C 0.572 176.608 176.000 0.061 0.000 0.947 697 Q CA 0.246 56.077 55.803 0.045 0.000 0.937 697 Q CB 0.449 29.193 28.738 0.011 0.000 1.025 697 Q HN 0.146 nan 8.270 nan 0.000 0.511 698 V N -3.320 116.644 119.914 0.083 0.000 3.158 698 V HA 0.475 4.215 4.120 -0.634 0.000 0.311 698 V C -1.109 175.120 176.094 0.226 0.000 1.181 698 V CA -1.315 61.061 62.300 0.127 0.000 1.054 698 V CB 2.234 34.099 31.823 0.069 0.000 1.085 698 V HN -0.069 nan 8.190 nan 0.000 0.446 699 E N 0.940 121.305 120.200 0.276 0.000 2.156 699 E HA 0.500 4.470 4.350 -0.634 0.000 0.279 699 E C -1.925 175.035 176.600 0.601 0.000 0.965 699 E CA -0.383 56.246 56.400 0.382 0.000 0.789 699 E CB 1.904 31.759 29.700 0.259 0.000 1.098 699 E HN 0.681 nan 8.360 nan 0.000 0.397 700 Y N 3.195 123.757 120.300 0.437 0.000 2.425 700 Y HA 0.446 4.616 4.550 -0.633 0.000 0.344 700 Y C -1.663 174.321 175.900 0.140 0.000 0.969 700 Y CA -1.176 57.121 58.100 0.328 0.000 1.052 700 Y CB 1.110 39.803 38.460 0.389 0.000 1.215 700 Y HN 0.431 nan 8.280 nan 0.000 0.451 701 L N 7.920 128.817 121.223 -0.544 0.000 2.343 701 L HA 0.487 4.446 4.340 -0.634 0.000 0.278 701 L C -1.878 174.510 176.870 -0.803 0.000 0.996 701 L CA -1.108 53.293 54.840 -0.732 0.000 0.831 701 L CB 1.414 42.770 42.059 -1.172 0.000 1.232 701 L HN 0.704 nan 8.230 nan 0.000 0.413 702 L N 6.655 127.493 121.223 -0.640 0.000 2.287 702 L HA 0.609 4.568 4.340 -0.634 0.000 0.287 702 L C -0.885 175.852 176.870 -0.222 0.000 1.022 702 L CA 0.042 54.581 54.840 -0.502 0.000 0.814 702 L CB 1.309 43.131 42.059 -0.395 0.000 1.217 702 L HN 0.415 nan 8.230 nan 0.000 0.420 703 I N 4.940 125.398 120.570 -0.186 0.000 2.509 703 I HA 0.485 4.274 4.170 -0.634 0.000 0.293 703 I C -0.977 175.136 176.117 -0.006 0.000 1.020 703 I CA -0.747 60.497 61.300 -0.093 0.000 1.088 703 I CB 1.797 39.706 38.000 -0.153 0.000 1.267 703 I HN 0.565 nan 8.210 nan 0.000 0.430 704 H N 2.859 121.980 119.070 0.084 0.000 3.085 704 H HA 0.379 4.573 4.556 -0.604 0.000 0.356 704 H C -0.786 174.768 175.328 0.377 0.000 1.178 704 H CA -0.557 55.598 56.048 0.179 0.000 1.214 704 H CB 2.480 32.313 29.762 0.118 0.000 1.881 704 H HN 0.758 nan 8.280 nan 0.000 0.538 705 G N 1.051 110.225 108.800 0.622 0.000 2.370 705 G HA2 0.234 3.813 3.960 -0.634 0.000 0.272 705 G HA3 0.234 3.813 3.960 -0.634 0.000 0.272 705 G C 1.113 176.276 174.900 0.438 0.000 1.208 705 G CA 0.206 45.603 45.100 0.496 0.000 0.856 705 G HN 0.651 nan 8.290 nan 0.000 0.500 706 T N -0.547 114.104 114.554 0.161 0.000 2.995 706 T HA 0.067 4.036 4.350 -0.634 0.000 0.269 706 T C 1.717 176.382 174.700 -0.058 0.000 1.091 706 T CA 1.263 63.249 62.100 -0.190 0.000 1.128 706 T CB 0.160 68.831 68.868 -0.329 0.000 0.891 706 T HN 0.667 nan 8.240 nan 0.000 0.492 707 A N 1.042 123.928 122.820 0.111 0.000 2.577 707 A HA 0.304 4.244 4.320 -0.634 0.000 0.280 707 A C 0.422 178.022 177.584 0.027 0.000 1.331 707 A CA -0.503 51.626 52.037 0.154 0.000 0.935 707 A CB -0.311 19.031 19.000 0.570 0.000 1.082 707 A HN 0.382 nan 8.150 nan 0.000 0.525 708 D N 1.540 121.948 120.400 0.013 0.000 2.346 708 D HA -0.007 4.252 4.640 -0.634 0.000 0.260 708 D C 0.347 176.601 176.300 -0.078 0.000 1.252 708 D CA 0.127 54.223 54.000 0.160 0.000 0.895 708 D CB 0.684 41.740 40.800 0.425 0.000 1.097 708 D HN 0.564 nan 8.370 nan 0.000 0.489 709 D N 2.362 122.770 120.400 0.014 0.000 2.347 709 D HA -0.134 4.125 4.640 -0.634 0.000 0.213 709 D C 0.938 177.157 176.300 -0.135 0.000 0.985 709 D CA -0.076 53.849 54.000 -0.125 0.000 0.879 709 D CB 0.448 41.141 40.800 -0.180 0.000 0.919 709 D HN 0.222 nan 8.370 nan 0.000 0.526 710 N N 0.864 119.589 118.700 0.042 0.000 2.335 710 N HA -0.048 4.312 4.740 -0.634 0.000 0.197 710 N C -0.074 175.344 175.510 -0.153 0.000 1.045 710 N CA 0.498 53.593 53.050 0.075 0.000 0.928 710 N CB 0.372 38.903 38.487 0.073 0.000 1.118 710 N HN -0.107 nan 8.380 nan 0.000 0.471 711 V N 2.896 122.735 119.914 -0.125 0.000 2.318 711 V HA 0.217 3.956 4.120 -0.634 0.000 0.271 711 V C -0.467 175.670 176.094 0.072 0.000 1.030 711 V CA -0.457 61.834 62.300 -0.015 0.000 0.844 711 V CB -0.137 31.725 31.823 0.065 0.000 1.015 711 V HN 0.298 nan 8.190 nan 0.000 0.460 712 H N 3.373 122.396 119.070 -0.079 0.000 2.871 712 H HA -0.003 4.171 4.556 -0.637 0.000 0.355 712 H C 0.771 175.927 175.328 -0.287 0.000 1.092 712 H CA -0.137 55.774 56.048 -0.228 0.000 1.420 712 H CB 0.837 30.376 29.762 -0.371 0.000 1.400 712 H HN 0.648 nan 8.280 nan 0.000 0.604 713 F N 2.070 121.779 119.950 -0.403 0.000 2.192 713 F HA -0.296 4.133 4.527 -0.163 0.000 0.301 713 F C 2.571 178.082 175.800 -0.481 0.000 1.079 713 F CA 1.745 59.313 58.000 -0.719 0.000 1.303 713 F CB -0.213 38.546 39.000 -0.403 0.000 1.024 713 F HN 0.659 nan 8.300 nan 0.000 0.494 714 Q N 0.180 119.829 119.800 -0.251 0.000 2.156 714 Q HA -0.324 3.636 4.340 -0.634 0.000 0.211 714 Q C 2.102 177.832 176.000 -0.450 0.000 0.995 714 Q CA 2.397 57.995 55.803 -0.342 0.000 0.877 714 Q CB -0.363 28.152 28.738 -0.371 0.000 0.920 714 Q HN 0.591 nan 8.270 nan 0.000 0.416 715 Q N -0.352 119.232 119.800 -0.360 0.000 2.061 715 Q HA -0.130 3.829 4.340 -0.634 0.000 0.204 715 Q C 2.268 178.156 176.000 -0.186 0.000 0.984 715 Q CA 1.775 57.486 55.803 -0.154 0.000 0.846 715 Q CB -0.135 28.605 28.738 0.003 0.000 0.902 715 Q HN 0.337 nan 8.270 nan 0.000 0.421 716 S N 0.544 116.032 115.700 -0.353 0.000 2.414 716 S HA -0.001 4.089 4.470 -0.634 0.000 0.227 716 S C 2.002 176.343 174.600 -0.432 0.000 1.022 716 S CA 0.702 58.695 58.200 -0.345 0.000 0.958 716 S CB -0.053 62.945 63.200 -0.337 0.000 0.797 716 S HN 0.461 nan 8.310 nan 0.000 0.493 717 A N 1.370 123.828 122.820 -0.604 0.000 1.930 717 A HA -0.106 3.833 4.320 -0.634 0.000 0.217 717 A C 2.134 179.602 177.584 -0.193 0.000 1.175 717 A CA 1.050 52.859 52.037 -0.379 0.000 0.627 717 A CB -0.395 18.428 19.000 -0.295 0.000 0.815 717 A HN 0.360 nan 8.150 nan 0.000 0.443 718 Q N -1.057 118.635 119.800 -0.180 0.000 2.172 718 Q HA -0.087 3.873 4.340 -0.634 0.000 0.200 718 Q C 2.082 178.040 176.000 -0.070 0.000 0.964 718 Q CA 1.140 56.901 55.803 -0.069 0.000 0.855 718 Q CB -0.426 28.337 28.738 0.042 0.000 0.918 718 Q HN 0.590 nan 8.270 nan 0.000 0.444 719 L N 1.234 122.390 121.223 -0.112 0.000 2.027 719 L HA -0.152 3.808 4.340 -0.634 0.000 0.206 719 L C 2.387 179.109 176.870 -0.246 0.000 1.074 719 L CA 2.347 57.084 54.840 -0.173 0.000 0.745 719 L CB -0.965 40.990 42.059 -0.172 0.000 0.898 719 L HN 0.208 nan 8.230 nan 0.000 0.433 720 S N -0.868 114.711 115.700 -0.201 0.000 2.382 720 S HA -0.294 3.795 4.470 -0.634 0.000 0.228 720 S C 2.137 176.723 174.600 -0.023 0.000 1.027 720 S CA 1.431 59.546 58.200 -0.142 0.000 0.991 720 S CB -0.692 62.571 63.200 0.105 0.000 0.823 720 S HN 0.555 nan 8.310 nan 0.000 0.469 721 K N 1.746 122.129 120.400 -0.028 0.000 2.057 721 K HA 0.019 3.958 4.320 -0.634 0.000 0.207 721 K C 2.264 178.852 176.600 -0.020 0.000 1.049 721 K CA 1.181 57.469 56.287 0.001 0.000 0.931 721 K CB -0.675 31.818 32.500 -0.011 0.000 0.714 721 K HN 0.452 nan 8.250 nan 0.000 0.440 722 A N 0.983 123.759 122.820 -0.073 0.000 1.898 722 A HA -0.088 3.852 4.320 -0.634 0.000 0.216 722 A C 2.086 179.607 177.584 -0.105 0.000 1.181 722 A CA 1.218 53.205 52.037 -0.084 0.000 0.620 722 A CB -0.557 18.376 19.000 -0.111 0.000 0.819 722 A HN 0.314 nan 8.150 nan 0.000 0.442 723 L N -0.632 120.472 121.223 -0.199 0.000 2.046 723 L HA -0.149 3.810 4.340 -0.634 0.000 0.208 723 L C 2.521 179.422 176.870 0.051 0.000 1.077 723 L CA 0.993 55.709 54.840 -0.207 0.000 0.747 723 L CB -0.595 41.081 42.059 -0.638 0.000 0.896 723 L HN 0.236 nan 8.230 nan 0.000 0.432 724 V N -0.163 119.835 119.914 0.140 0.000 2.343 724 V HA -0.297 3.442 4.120 -0.634 0.000 0.247 724 V C 2.078 178.224 176.094 0.086 0.000 1.051 724 V CA 1.903 64.308 62.300 0.175 0.000 1.036 724 V CB -0.508 31.408 31.823 0.154 0.000 0.654 724 V HN 0.434 nan 8.190 nan 0.000 0.451 725 D N 0.435 120.862 120.400 0.045 0.000 2.178 725 D HA -0.096 4.164 4.640 -0.634 0.000 0.201 725 D C 1.944 178.260 176.300 0.027 0.000 0.980 725 D CA 1.548 55.564 54.000 0.027 0.000 0.842 725 D CB -0.160 40.646 40.800 0.009 0.000 0.948 725 D HN 0.486 nan 8.370 nan 0.000 0.472 726 A N -0.422 122.412 122.820 0.024 0.000 2.251 726 A HA 0.421 4.361 4.320 -0.634 0.000 0.209 726 A C 1.651 179.266 177.584 0.052 0.000 1.187 726 A CA 0.854 52.908 52.037 0.028 0.000 0.823 726 A CB -0.189 18.818 19.000 0.012 0.000 0.846 726 A HN 0.206 nan 8.150 nan 0.000 0.486 727 G N -0.967 107.874 108.800 0.069 0.000 2.176 727 G HA2 -0.182 3.397 3.960 -0.634 0.000 0.252 727 G HA3 -0.182 3.397 3.960 -0.634 0.000 0.252 727 G C 0.036 175.003 174.900 0.110 0.000 1.024 727 G CA 0.260 45.408 45.100 0.080 0.000 0.755 727 G HN 0.794 nan 8.290 nan 0.000 0.507 728 V N 0.502 120.507 119.914 0.152 0.000 2.407 728 V HA 0.500 4.239 4.120 -0.634 0.000 0.278 728 V C 0.378 176.680 176.094 0.347 0.000 1.037 728 V CA -0.473 61.955 62.300 0.213 0.000 0.900 728 V CB 1.742 33.670 31.823 0.177 0.000 0.983 728 V HN 0.404 nan 8.190 nan 0.000 0.459 729 D N 3.833 124.402 120.400 0.283 0.000 2.225 729 D HA 0.675 4.934 4.640 -0.634 0.000 0.249 729 D C -0.601 175.940 176.300 0.402 0.000 1.052 729 D CA 0.074 54.210 54.000 0.227 0.000 0.909 729 D CB 1.021 41.881 40.800 0.100 0.000 1.186 729 D HN 0.347 nan 8.370 nan 0.000 0.431 730 F N -0.865 119.163 119.950 0.131 0.000 2.926 730 F HA 0.449 4.588 4.527 -0.647 0.000 0.321 730 F C -1.445 174.412 175.800 0.096 0.000 1.168 730 F CA -1.075 57.028 58.000 0.171 0.000 0.890 730 F CB 0.683 39.828 39.000 0.242 0.000 1.357 730 F HN 0.220 nan 8.300 nan 0.000 0.468 731 Q N 0.422 120.291 119.800 0.115 0.000 2.348 731 Q HA 0.727 4.687 4.340 -0.634 0.000 0.271 731 Q C -0.995 175.008 176.000 0.006 0.000 1.067 731 Q CA -0.935 54.850 55.803 -0.030 0.000 0.839 731 Q CB 2.777 31.541 28.738 0.043 0.000 1.354 731 Q HN 0.899 nan 8.270 nan 0.000 0.447 732 T N -1.589 112.939 114.554 -0.044 0.000 2.865 732 T HA 0.800 4.769 4.350 -0.634 0.000 0.294 732 T C -1.007 173.617 174.700 -0.128 0.000 1.119 732 T CA -0.897 61.188 62.100 -0.024 0.000 1.007 732 T CB 1.700 70.624 68.868 0.093 0.000 1.225 732 T HN 0.494 nan 8.240 nan 0.000 0.515 733 M N 1.963 121.463 119.600 -0.166 0.000 2.265 733 M HA 0.529 4.629 4.480 -0.634 0.000 0.251 733 M C -2.231 173.895 176.300 -0.291 0.000 1.005 733 M CA -0.942 54.102 55.300 -0.427 0.000 0.998 733 M CB 1.038 33.298 32.600 -0.565 0.000 2.070 733 M HN 0.924 nan 8.290 nan 0.000 0.476 734 W N 4.135 125.272 121.300 -0.272 0.000 2.375 734 W HA 0.754 5.169 4.660 -0.408 0.000 0.336 734 W C -1.871 174.386 176.519 -0.438 0.000 1.160 734 W CA -0.733 56.537 57.345 -0.124 0.000 1.266 734 W CB 0.245 29.679 29.460 -0.045 0.000 1.195 734 W HN 0.611 nan 8.180 nan 0.000 0.599 735 Y N 2.100 122.555 120.300 0.258 0.000 2.447 735 Y HA 0.290 4.461 4.550 -0.632 0.000 0.325 735 Y C 0.383 176.396 175.900 0.189 0.000 0.976 735 Y CA -1.282 56.886 58.100 0.115 0.000 1.280 735 Y CB 1.210 39.703 38.460 0.056 0.000 1.104 735 Y HN 0.430 nan 8.280 nan 0.000 0.486 736 T N 4.617 119.354 114.554 0.305 0.000 2.831 736 T HA -0.013 3.956 4.350 -0.634 0.000 0.291 736 T C 0.189 174.954 174.700 0.108 0.000 0.981 736 T CA 0.630 62.822 62.100 0.154 0.000 1.174 736 T CB -0.095 68.801 68.868 0.047 0.000 0.929 736 T HN 0.690 nan 8.240 nan 0.000 0.532 737 D N 0.722 121.159 120.400 0.062 0.000 3.046 737 D HA -0.125 4.134 4.640 -0.634 0.000 0.210 737 D C 0.297 176.736 176.300 0.231 0.000 1.124 737 D CA 1.152 55.136 54.000 -0.027 0.000 0.986 737 D CB -0.398 40.162 40.800 -0.401 0.000 1.118 737 D HN 0.565 nan 8.370 nan 0.000 0.416 738 E N 0.861 121.212 120.200 0.251 0.000 2.313 738 E HA 0.336 4.306 4.350 -0.634 0.000 0.272 738 E C 0.802 177.597 176.600 0.326 0.000 1.038 738 E CA -0.226 56.343 56.400 0.281 0.000 0.863 738 E CB 1.149 31.000 29.700 0.251 0.000 1.060 738 E HN 0.349 nan 8.360 nan 0.000 0.402 739 D N -0.420 120.185 120.400 0.341 0.000 2.509 739 D HA -0.002 4.258 4.640 -0.634 0.000 0.275 739 D C 1.093 177.642 176.300 0.415 0.000 1.189 739 D CA -0.145 54.081 54.000 0.378 0.000 1.098 739 D CB -0.266 40.779 40.800 0.408 0.000 1.177 739 D HN 0.404 nan 8.370 nan 0.000 0.599 740 H N -1.576 117.688 119.070 0.324 0.000 2.489 740 H HA 0.133 4.305 4.556 -0.640 0.000 0.293 740 H C 1.848 177.444 175.328 0.446 0.000 1.066 740 H CA 1.962 58.224 56.048 0.355 0.000 1.305 740 H CB -0.350 29.602 29.762 0.316 0.000 1.386 740 H HN 0.471 nan 8.280 nan 0.000 0.551 741 G N -0.484 108.505 108.800 0.315 0.000 2.838 741 G HA2 0.052 3.631 3.960 -0.634 0.000 0.210 741 G HA3 0.052 3.631 3.960 -0.634 0.000 0.210 741 G C 0.603 175.719 174.900 0.360 0.000 1.153 741 G CA 0.212 45.428 45.100 0.194 0.000 0.778 741 G HN 0.493 nan 8.290 nan 0.000 0.539 742 I N 0.115 120.905 120.570 0.366 0.000 5.115 742 I HA -0.336 3.453 4.170 -0.634 0.000 0.126 742 I C 1.654 177.910 176.117 0.233 0.000 1.316 742 I CA 0.149 61.602 61.300 0.255 0.000 2.641 742 I CB -1.163 36.958 38.000 0.201 0.000 2.272 742 I HN 0.262 nan 8.210 nan 0.000 0.321 743 A N 1.073 124.003 122.820 0.184 0.000 2.308 743 A HA 0.233 4.172 4.320 -0.634 0.000 0.217 743 A C 1.248 178.881 177.584 0.083 0.000 1.216 743 A CA 0.613 52.720 52.037 0.115 0.000 0.864 743 A CB 0.068 19.107 19.000 0.065 0.000 0.902 743 A HN 0.660 nan 8.150 nan 0.000 0.499 744 S N -0.342 115.421 115.700 0.105 0.000 2.579 744 S HA 0.077 4.166 4.470 -0.634 0.000 0.275 744 S C 0.737 175.390 174.600 0.089 0.000 1.345 744 S CA 0.285 58.538 58.200 0.087 0.000 1.031 744 S CB 0.151 63.410 63.200 0.098 0.000 0.892 744 S HN 0.502 nan 8.310 nan 0.000 0.529 745 N N 0.981 119.720 118.700 0.065 0.000 2.037 745 N HA -0.159 4.200 4.740 -0.634 0.000 0.196 745 N C 1.674 177.243 175.510 0.098 0.000 1.034 745 N CA 1.862 54.955 53.050 0.072 0.000 0.861 745 N CB -0.290 38.222 38.487 0.041 0.000 1.039 745 N HN 0.510 nan 8.380 nan 0.000 0.427 746 M N 0.368 120.014 119.600 0.077 0.000 2.254 746 M HA 0.055 4.155 4.480 -0.634 0.000 0.265 746 M C 2.216 178.566 176.300 0.083 0.000 1.066 746 M CA 0.766 56.112 55.300 0.078 0.000 1.123 746 M CB -1.269 31.369 32.600 0.063 0.000 1.388 746 M HN 0.185 nan 8.290 nan 0.000 0.425 747 A N -1.055 121.795 122.820 0.050 0.000 1.929 747 A HA -0.192 3.747 4.320 -0.634 0.000 0.216 747 A C 2.065 179.602 177.584 -0.078 0.000 1.176 747 A CA 1.937 53.928 52.037 -0.076 0.000 0.628 747 A CB -1.002 17.922 19.000 -0.128 0.000 0.816 747 A HN 0.549 nan 8.150 nan 0.000 0.444 748 H N 0.018 119.077 119.070 -0.019 0.000 2.319 748 H HA -0.151 4.023 4.556 -0.636 0.000 0.299 748 H C 2.110 177.506 175.328 0.113 0.000 1.092 748 H CA 2.414 58.509 56.048 0.079 0.000 1.302 748 H CB -0.215 29.591 29.762 0.073 0.000 1.373 748 H HN 0.569 nan 8.280 nan 0.000 0.497 749 Q N -1.060 118.737 119.800 -0.005 0.000 2.079 749 Q HA -0.186 3.774 4.340 -0.634 0.000 0.200 749 Q C 2.248 178.222 176.000 -0.043 0.000 0.974 749 Q CA 1.310 57.071 55.803 -0.070 0.000 0.840 749 Q CB -0.210 28.527 28.738 -0.002 0.000 0.898 749 Q HN 0.648 nan 8.270 nan 0.000 0.430 750 H N 0.786 119.815 119.070 -0.067 0.000 2.357 750 H HA -0.078 4.100 4.556 -0.631 0.000 0.301 750 H C 2.044 177.345 175.328 -0.045 0.000 1.082 750 H CA 1.291 57.327 56.048 -0.020 0.000 1.342 750 H CB -0.009 29.793 29.762 0.067 0.000 1.389 750 H HN 0.275 nan 8.280 nan 0.000 0.511 751 I N 0.120 120.630 120.570 -0.100 0.000 2.226 751 I HA -0.325 3.465 4.170 -0.634 0.000 0.245 751 I C 1.803 177.665 176.117 -0.425 0.000 1.100 751 I CA 1.265 62.422 61.300 -0.239 0.000 1.374 751 I CB -0.271 37.420 38.000 -0.515 0.000 1.057 751 I HN 0.134 nan 8.210 nan 0.000 0.413 752 Y N 0.917 120.986 120.300 -0.386 0.000 2.293 752 Y HA -0.196 3.976 4.550 -0.630 0.000 0.291 752 Y C 2.712 178.393 175.900 -0.365 0.000 1.137 752 Y CA 1.833 59.585 58.100 -0.581 0.000 1.202 752 Y CB -0.861 37.270 38.460 -0.549 0.000 0.990 752 Y HN 0.160 nan 8.280 nan 0.000 0.537 753 T N -1.673 112.773 114.554 -0.181 0.000 2.777 753 T HA -0.227 3.742 4.350 -0.634 0.000 0.266 753 T C 1.569 176.036 174.700 -0.390 0.000 1.040 753 T CA 1.863 63.787 62.100 -0.294 0.000 1.141 753 T CB -0.453 68.237 68.868 -0.297 0.000 0.868 753 T HN 0.420 nan 8.240 nan 0.000 0.444 754 H N 0.896 119.751 119.070 -0.358 0.000 2.353 754 H HA 0.105 4.284 4.556 -0.628 0.000 0.300 754 H C 2.182 177.457 175.328 -0.090 0.000 1.090 754 H CA 1.545 57.469 56.048 -0.207 0.000 1.327 754 H CB -0.234 29.428 29.762 -0.166 0.000 1.383 754 H HN 0.242 nan 8.280 nan 0.000 0.508 755 M N -0.783 118.749 119.600 -0.115 0.000 2.159 755 M HA -0.159 3.941 4.480 -0.634 0.000 0.263 755 M C 2.406 178.821 176.300 0.191 0.000 1.063 755 M CA 1.431 56.681 55.300 -0.082 0.000 1.110 755 M CB -0.026 32.294 32.600 -0.467 0.000 1.374 755 M HN 0.213 nan 8.290 nan 0.000 0.411 756 S N -0.491 115.346 115.700 0.228 0.000 2.370 756 S HA -0.177 3.912 4.470 -0.634 0.000 0.226 756 S C 1.588 176.325 174.600 0.228 0.000 1.033 756 S CA 1.304 59.734 58.200 0.384 0.000 1.011 756 S CB -0.649 62.786 63.200 0.390 0.000 0.852 756 S HN 0.577 nan 8.310 nan 0.000 0.457 757 H N -0.910 118.214 119.070 0.090 0.000 2.389 757 H HA -0.045 4.129 4.556 -0.636 0.000 0.299 757 H C 1.992 177.305 175.328 -0.025 0.000 1.081 757 H CA 1.357 57.408 56.048 0.005 0.000 1.345 757 H CB -0.159 29.561 29.762 -0.069 0.000 1.393 757 H HN 0.383 nan 8.280 nan 0.000 0.520 758 F N 1.314 121.229 119.950 -0.057 0.000 2.102 758 F HA -0.197 3.954 4.527 -0.628 0.000 0.298 758 F C 2.084 177.822 175.800 -0.103 0.000 1.105 758 F CA 1.159 59.095 58.000 -0.107 0.000 1.239 758 F CB -0.387 38.530 39.000 -0.139 0.000 0.991 758 F HN 0.015 nan 8.300 nan 0.000 0.474 759 L N 0.284 121.505 121.223 -0.002 0.000 2.017 759 L HA -0.242 3.717 4.340 -0.634 0.000 0.208 759 L C 2.550 179.203 176.870 -0.363 0.000 1.073 759 L CA 1.548 56.204 54.840 -0.307 0.000 0.745 759 L CB -0.676 41.288 42.059 -0.157 0.000 0.894 759 L HN 0.114 nan 8.230 nan 0.000 0.432 760 K N -0.376 119.974 120.400 -0.083 0.000 2.063 760 K HA -0.249 3.690 4.320 -0.634 0.000 0.208 760 K C 2.034 178.605 176.600 -0.047 0.000 1.048 760 K CA 1.215 57.508 56.287 0.011 0.000 0.928 760 K CB -0.318 32.240 32.500 0.095 0.000 0.713 760 K HN 0.346 nan 8.250 nan 0.000 0.442 761 Q N 1.546 121.268 119.800 -0.130 0.000 2.084 761 Q HA -0.188 3.771 4.340 -0.634 0.000 0.202 761 Q C 2.261 178.134 176.000 -0.211 0.000 0.978 761 Q CA 1.782 57.488 55.803 -0.162 0.000 0.844 761 Q CB -0.704 27.912 28.738 -0.204 0.000 0.898 761 Q HN 0.382 nan 8.270 nan 0.000 0.426 762 c N 0.215 118.574 118.600 -0.402 0.000 2.425 762 c HA -0.061 4.129 4.570 -0.634 0.000 0.277 762 c C 2.046 176.127 174.090 -0.016 0.000 1.280 762 c CA 0.399 56.516 56.329 -0.355 0.000 1.744 762 c CB -1.303 40.831 42.510 -0.627 0.000 1.989 762 c HN 0.510 nan 8.230 nan 0.000 0.491 763 F N 1.713 121.618 119.950 -0.075 0.000 2.693 763 F HA 0.275 4.423 4.527 -0.632 0.000 0.303 763 F C 1.557 177.335 175.800 -0.038 0.000 1.097 763 F CA 0.147 58.124 58.000 -0.037 0.000 1.330 763 F CB -1.268 37.722 39.000 -0.017 0.000 1.067 763 F HN 0.173 nan 8.300 nan 0.000 0.565 764 S N 1.083 116.854 115.700 0.118 0.000 3.631 764 S HA -0.207 3.883 4.470 -0.634 0.000 0.366 764 S C -0.054 174.580 174.600 0.057 0.000 0.993 764 S CA 0.147 58.380 58.200 0.054 0.000 1.167 764 S CB -1.997 61.224 63.200 0.036 0.000 0.909 764 S HN 0.254 nan 8.310 nan 0.000 0.478 765 L N 2.059 123.328 121.223 0.077 0.000 2.296 765 L HA 0.472 4.432 4.340 -0.634 0.000 0.286 765 L C -0.988 175.912 176.870 0.050 0.000 1.023 765 L CA -2.035 52.847 54.840 0.070 0.000 0.812 765 L CB 0.823 42.950 42.059 0.113 0.000 1.223 765 L HN 0.103 nan 8.230 nan 0.000 0.421 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.118 63.100 0.029 0.000 0.800 766 P CB 0.000 31.712 31.700 0.020 0.000 0.726