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 2ajd_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 0.000 174.647 174.600 0.078 0.000 1.055 39 S CA 0.000 58.249 58.200 0.081 0.000 1.107 39 S CB 0.000 63.249 63.200 0.083 0.000 0.593 40 R N 1.984 122.523 120.500 0.066 0.000 2.546 40 R HA 0.285 4.125 4.340 -0.835 0.000 0.320 40 R C 0.443 176.771 176.300 0.046 0.000 1.021 40 R CA -0.042 56.088 56.100 0.051 0.000 1.088 40 R CB 0.366 30.693 30.300 0.045 0.000 1.278 40 R HN 0.719 nan 8.270 nan 0.000 0.557 41 R N -1.051 119.489 120.500 0.065 0.000 2.832 41 R HA 0.546 4.385 4.340 -0.835 0.000 0.271 41 R C -0.286 176.067 176.300 0.088 0.000 0.996 41 R CA -0.623 55.523 56.100 0.076 0.000 0.977 41 R CB 1.073 31.430 30.300 0.094 0.000 1.168 41 R HN -0.128 nan 8.270 nan 0.000 0.482 42 T N -2.030 112.584 114.554 0.100 0.000 2.938 42 T HA 0.234 4.083 4.350 -0.835 0.000 0.285 42 T C -0.708 174.098 174.700 0.175 0.000 1.028 42 T CA -0.752 61.422 62.100 0.123 0.000 1.005 42 T CB 0.855 69.789 68.868 0.110 0.000 1.157 42 T HN 0.563 nan 8.240 nan 0.000 0.550 43 Y N 2.923 123.261 120.300 0.063 0.000 2.640 43 Y HA 0.326 4.375 4.550 -0.835 0.000 0.355 43 Y C 1.164 177.190 175.900 0.210 0.000 1.088 43 Y CA -0.344 57.801 58.100 0.075 0.000 1.443 43 Y CB -0.637 37.820 38.460 -0.005 0.000 1.224 43 Y HN 0.987 nan 8.280 nan 0.000 0.516 44 T N 2.041 116.593 114.554 -0.005 0.000 2.726 44 T HA 0.028 3.877 4.350 -0.835 0.000 0.294 44 T C 1.110 175.738 174.700 -0.119 0.000 1.013 44 T CA -0.543 61.593 62.100 0.061 0.000 0.996 44 T CB 0.944 69.822 68.868 0.016 0.000 1.016 44 T HN 0.663 nan 8.240 nan 0.000 0.529 45 L N 1.044 122.036 121.223 -0.386 0.000 2.046 45 L HA 0.033 3.872 4.340 -0.835 0.000 0.208 45 L C 2.649 179.385 176.870 -0.223 0.000 1.077 45 L CA 2.167 56.625 54.840 -0.637 0.000 0.747 45 L CB -1.639 39.898 42.059 -0.870 0.000 0.896 45 L HN 0.961 nan 8.230 nan 0.000 0.432 46 T N -0.463 113.988 114.554 -0.171 0.000 2.833 46 T HA -0.144 3.705 4.350 -0.835 0.000 0.269 46 T C 1.459 176.094 174.700 -0.109 0.000 1.054 46 T CA 1.365 63.398 62.100 -0.112 0.000 1.135 46 T CB -0.378 68.445 68.868 -0.075 0.000 0.869 46 T HN 0.409 nan 8.240 nan 0.000 0.466 47 D N 0.161 120.467 120.400 -0.156 0.000 2.178 47 D HA -0.089 4.050 4.640 -0.835 0.000 0.201 47 D C 1.704 177.930 176.300 -0.124 0.000 0.980 47 D CA 0.971 54.873 54.000 -0.165 0.000 0.842 47 D CB -0.244 40.341 40.800 -0.358 0.000 0.948 47 D HN 0.428 nan 8.370 nan 0.000 0.472 48 Y N 1.584 121.743 120.300 -0.235 0.000 2.153 48 Y HA -0.054 3.994 4.550 -0.836 0.000 0.289 48 Y C 2.205 178.137 175.900 0.054 0.000 1.127 48 Y CA 1.070 59.201 58.100 0.052 0.000 1.131 48 Y CB -0.609 37.950 38.460 0.165 0.000 0.995 48 Y HN -0.143 nan 8.280 nan 0.000 0.505 49 L N 0.078 121.103 121.223 -0.330 0.000 2.131 49 L HA -0.180 3.660 4.340 -0.835 0.000 0.210 49 L C 1.837 178.605 176.870 -0.170 0.000 1.092 49 L CA 1.328 55.973 54.840 -0.325 0.000 0.759 49 L CB -0.464 41.487 42.059 -0.179 0.000 0.903 49 L HN 0.100 nan 8.230 nan 0.000 0.435 50 K N -0.440 119.889 120.400 -0.118 0.000 2.374 50 K HA 0.167 3.987 4.320 -0.835 0.000 0.196 50 K C 0.786 177.354 176.600 -0.053 0.000 1.023 50 K CA 0.116 56.358 56.287 -0.074 0.000 1.103 50 K CB 0.439 32.901 32.500 -0.063 0.000 0.848 50 K HN 0.111 nan 8.250 nan 0.000 0.528 51 S N 0.849 116.529 115.700 -0.033 0.000 3.614 51 S HA -0.161 3.809 4.470 -0.835 0.000 0.360 51 S C 1.198 175.834 174.600 0.059 0.000 1.023 51 S CA 1.101 59.337 58.200 0.061 0.000 1.114 51 S CB -2.262 60.958 63.200 0.033 0.000 0.907 51 S HN 0.620 nan 8.310 nan 0.000 0.470 52 T N -2.453 112.109 114.554 0.012 0.000 3.025 52 T HA 0.030 3.879 4.350 -0.835 0.000 0.270 52 T C 0.222 174.737 174.700 -0.308 0.000 1.126 52 T CA 0.751 62.752 62.100 -0.165 0.000 1.105 52 T CB -0.491 68.216 68.868 -0.270 0.000 0.884 52 T HN 0.420 nan 8.240 nan 0.000 0.522 53 F N 1.720 121.730 119.950 0.101 0.000 2.325 53 F HA 0.573 4.598 4.527 -0.835 0.000 0.369 53 F C 0.382 176.271 175.800 0.149 0.000 1.095 53 F CA -1.507 56.583 58.000 0.150 0.000 1.082 53 F CB 1.135 40.289 39.000 0.257 0.000 1.289 53 F HN -0.151 nan 8.300 nan 0.000 0.462 54 R N 2.316 122.930 120.500 0.190 0.000 2.316 54 R HA 0.443 4.282 4.340 -0.835 0.000 0.314 54 R C -1.244 175.166 176.300 0.183 0.000 1.069 54 R CA -0.151 56.036 56.100 0.145 0.000 0.959 54 R CB 0.470 30.798 30.300 0.047 0.000 0.987 54 R HN 0.415 nan 8.270 nan 0.000 0.446 55 V N 6.252 126.295 119.914 0.214 0.000 2.348 55 V HA 0.276 3.896 4.120 -0.835 0.000 0.270 55 V C 0.151 176.354 176.094 0.181 0.000 1.037 55 V CA -0.605 61.843 62.300 0.248 0.000 0.872 55 V CB 1.095 33.127 31.823 0.349 0.000 1.002 55 V HN 0.695 nan 8.190 nan 0.000 0.464 56 K N 4.986 125.444 120.400 0.096 0.000 2.185 56 K HA 0.653 4.472 4.320 -0.835 0.000 0.271 56 K C -0.469 176.149 176.600 0.030 0.000 1.013 56 K CA -0.153 56.087 56.287 -0.079 0.000 0.943 56 K CB 0.957 33.401 32.500 -0.093 0.000 0.998 56 K HN 0.599 nan 8.250 nan 0.000 0.468 57 F N -0.914 118.986 119.950 -0.083 0.000 2.814 57 F HA 0.585 4.612 4.527 -0.835 0.000 0.353 57 F C -1.206 174.245 175.800 -0.582 0.000 1.177 57 F CA -1.425 56.313 58.000 -0.437 0.000 1.036 57 F CB 0.717 39.657 39.000 -0.101 0.000 1.455 57 F HN 0.357 nan 8.300 nan 0.000 0.520 58 Y N 0.409 120.304 120.300 -0.676 0.000 2.315 58 Y HA 0.536 4.585 4.550 -0.835 0.000 0.324 58 Y C -1.291 174.592 175.900 -0.029 0.000 1.062 58 Y CA -0.783 57.128 58.100 -0.315 0.000 1.159 58 Y CB 1.659 39.795 38.460 -0.540 0.000 1.145 58 Y HN 0.762 nan 8.280 nan 0.000 0.442 59 T N 7.428 122.088 114.554 0.178 0.000 2.771 59 T HA 0.671 4.520 4.350 -0.835 0.000 0.281 59 T C -0.858 173.927 174.700 0.142 0.000 0.982 59 T CA -0.494 61.711 62.100 0.174 0.000 0.978 59 T CB 0.749 69.718 68.868 0.168 0.000 0.930 59 T HN 0.548 nan 8.240 nan 0.000 0.447 60 L N 1.141 122.387 121.223 0.039 0.000 2.322 60 L HA 0.823 4.662 4.340 -0.835 0.000 0.252 60 L C -1.020 175.777 176.870 -0.121 0.000 1.055 60 L CA -1.143 53.651 54.840 -0.078 0.000 0.849 60 L CB 1.576 43.272 42.059 -0.604 0.000 1.446 60 L HN 0.479 nan 8.230 nan 0.000 0.416 61 Q N 0.158 119.888 119.800 -0.117 0.000 2.274 61 Q HA 0.413 4.253 4.340 -0.835 0.000 0.268 61 Q C -2.007 173.930 176.000 -0.106 0.000 1.015 61 Q CA -0.220 55.550 55.803 -0.055 0.000 0.775 61 Q CB 1.963 30.758 28.738 0.095 0.000 1.256 61 Q HN 0.638 nan 8.270 nan 0.000 0.442 62 W N 4.427 125.839 121.300 0.188 0.000 2.356 62 W HA 0.219 4.378 4.660 -0.835 0.000 0.311 62 W C 1.174 177.782 176.519 0.148 0.000 1.328 62 W CA -0.312 57.144 57.345 0.184 0.000 1.251 62 W CB 0.472 30.038 29.460 0.176 0.000 1.280 62 W HN 0.679 nan 8.180 nan 0.000 0.524 63 I N 0.147 120.897 120.570 0.300 0.000 4.187 63 I HA 0.262 3.932 4.170 -0.835 0.000 0.326 63 I C 0.794 177.020 176.117 0.181 0.000 1.302 63 I CA -0.049 61.362 61.300 0.185 0.000 1.196 63 I CB 0.048 38.085 38.000 0.063 0.000 1.095 63 I HN 0.259 nan 8.210 nan 0.000 0.411 64 S N 0.878 116.716 115.700 0.230 0.000 2.911 64 S HA 0.313 4.283 4.470 -0.835 0.000 0.319 64 S C -0.048 174.717 174.600 0.275 0.000 1.154 64 S CA 0.136 58.452 58.200 0.194 0.000 0.857 64 S CB 1.184 64.425 63.200 0.067 0.000 1.279 64 S HN 0.300 nan 8.310 nan 0.000 0.593 65 D N -0.848 119.735 120.400 0.305 0.000 2.328 65 D HA 0.113 4.252 4.640 -0.835 0.000 0.226 65 D C 0.947 177.495 176.300 0.413 0.000 1.066 65 D CA 0.619 54.800 54.000 0.300 0.000 0.861 65 D CB -0.271 40.685 40.800 0.260 0.000 0.912 65 D HN 0.760 nan 8.370 nan 0.000 0.521 66 H N -2.340 116.853 119.070 0.205 0.000 3.749 66 H HA 0.296 4.351 4.556 -0.834 0.000 0.266 66 H C -0.831 174.579 175.328 0.136 0.000 1.123 66 H CA -0.398 55.697 56.048 0.078 0.000 1.189 66 H CB -0.662 29.080 29.762 -0.032 0.000 1.731 66 H HN 0.121 nan 8.280 nan 0.000 0.863 67 E N 1.174 121.308 120.200 -0.110 0.000 2.227 67 E HA 0.499 4.349 4.350 -0.835 0.000 0.268 67 E C -1.395 175.275 176.600 0.117 0.000 0.907 67 E CA -1.236 55.083 56.400 -0.135 0.000 0.786 67 E CB 2.702 32.215 29.700 -0.312 0.000 1.191 67 E HN 0.304 nan 8.360 nan 0.000 0.411 68 Y N -0.446 119.793 120.300 -0.102 0.000 2.571 68 Y HA 0.556 4.605 4.550 -0.834 0.000 0.341 68 Y C -1.808 174.050 175.900 -0.070 0.000 1.076 68 Y CA -1.403 56.547 58.100 -0.250 0.000 1.029 68 Y CB 0.746 38.700 38.460 -0.843 0.000 1.308 68 Y HN 0.357 nan 8.280 nan 0.000 0.461 69 L N 3.660 125.008 121.223 0.208 0.000 2.357 69 L HA 0.475 4.315 4.340 -0.835 0.000 0.273 69 L C -1.294 175.870 176.870 0.490 0.000 1.080 69 L CA -0.967 53.994 54.840 0.201 0.000 0.803 69 L CB 1.316 43.410 42.059 0.060 0.000 1.174 69 L HN 0.793 nan 8.230 nan 0.000 0.443 70 Y N 2.489 122.974 120.300 0.308 0.000 2.298 70 Y HA 0.238 4.287 4.550 -0.835 0.000 0.322 70 Y C -0.553 175.465 175.900 0.197 0.000 1.138 70 Y CA -1.213 57.062 58.100 0.292 0.000 1.127 70 Y CB 1.211 39.969 38.460 0.496 0.000 1.178 70 Y HN 0.445 nan 8.280 nan 0.000 0.428 71 K N 5.508 125.774 120.400 -0.223 0.000 2.363 71 K HA 0.141 3.960 4.320 -0.835 0.000 0.289 71 K C -0.597 175.649 176.600 -0.590 0.000 1.063 71 K CA 0.038 56.164 56.287 -0.268 0.000 0.967 71 K CB 0.462 32.918 32.500 -0.072 0.000 0.987 71 K HN 0.821 nan 8.250 nan 0.000 0.473 72 Q N 3.050 122.624 119.800 -0.377 0.000 2.377 72 Q HA 0.107 3.946 4.340 -0.835 0.000 0.271 72 Q C -0.843 175.061 176.000 -0.160 0.000 1.077 72 Q CA -0.404 55.215 55.803 -0.307 0.000 0.820 72 Q CB 1.285 29.962 28.738 -0.102 0.000 1.347 72 Q HN 0.627 nan 8.270 nan 0.000 0.444 73 E N 2.442 122.560 120.200 -0.137 0.000 2.405 73 E HA -0.428 3.421 4.350 -0.835 0.000 0.240 73 E C -0.561 175.974 176.600 -0.109 0.000 1.269 73 E CA 0.973 57.314 56.400 -0.098 0.000 0.716 73 E CB -1.425 28.244 29.700 -0.051 0.000 1.228 73 E HN 0.924 nan 8.360 nan 0.000 0.393 74 N N -0.121 118.478 118.700 -0.168 0.000 2.815 74 N HA -0.206 4.033 4.740 -0.835 0.000 0.248 74 N C -1.372 174.058 175.510 -0.134 0.000 1.110 74 N CA 0.803 53.718 53.050 -0.224 0.000 0.699 74 N CB -0.878 37.489 38.487 -0.201 0.000 1.040 74 N HN 0.512 nan 8.380 nan 0.000 0.555 75 N N -0.132 118.525 118.700 -0.071 0.000 2.455 75 N HA 0.362 4.602 4.740 -0.835 0.000 0.285 75 N C -0.526 174.995 175.510 0.019 0.000 1.080 75 N CA -0.673 52.416 53.050 0.065 0.000 0.932 75 N CB 0.695 39.215 38.487 0.056 0.000 1.610 75 N HN 0.127 nan 8.380 nan 0.000 0.493 76 I N 1.422 122.028 120.570 0.061 0.000 2.710 76 I HA 0.120 3.789 4.170 -0.835 0.000 0.286 76 I C -0.092 176.063 176.117 0.063 0.000 1.181 76 I CA -0.038 61.272 61.300 0.017 0.000 1.430 76 I CB 0.176 38.160 38.000 -0.026 0.000 1.367 76 I HN 0.379 nan 8.210 nan 0.000 0.577 77 L N 6.370 127.615 121.223 0.036 0.000 2.408 77 L HA 0.458 4.297 4.340 -0.835 0.000 0.268 77 L C -0.784 175.990 176.870 -0.160 0.000 0.986 77 L CA -0.957 53.828 54.840 -0.092 0.000 0.820 77 L CB 2.028 43.926 42.059 -0.267 0.000 1.303 77 L HN 0.381 nan 8.230 nan 0.000 0.411 78 L N 2.515 123.621 121.223 -0.194 0.000 2.265 78 L HA 0.519 4.359 4.340 -0.835 0.000 0.288 78 L C -1.103 175.520 176.870 -0.411 0.000 1.058 78 L CA 0.357 55.069 54.840 -0.213 0.000 0.809 78 L CB 0.319 42.350 42.059 -0.047 0.000 1.179 78 L HN 0.229 nan 8.230 nan 0.000 0.429 79 F N 3.949 123.617 119.950 -0.470 0.000 2.421 79 F HA 0.396 4.422 4.527 -0.835 0.000 0.337 79 F C 0.745 176.206 175.800 -0.566 0.000 1.105 79 F CA -0.401 57.214 58.000 -0.641 0.000 1.049 79 F CB 1.166 39.376 39.000 -1.317 0.000 1.139 79 F HN 0.533 nan 8.300 nan 0.000 0.479 80 N N 2.531 121.135 118.700 -0.160 0.000 2.589 80 N HA 0.224 4.463 4.740 -0.835 0.000 0.232 80 N C 0.688 176.076 175.510 -0.203 0.000 1.015 80 N CA 0.093 53.038 53.050 -0.176 0.000 0.931 80 N CB 1.423 39.855 38.487 -0.091 0.000 1.150 80 N HN 0.795 nan 8.380 nan 0.000 0.512 81 A N 4.064 126.750 122.820 -0.224 0.000 1.971 81 A HA -0.230 3.589 4.320 -0.835 0.000 0.222 81 A C 1.795 179.102 177.584 -0.460 0.000 1.182 81 A CA 1.681 53.547 52.037 -0.286 0.000 0.649 81 A CB -0.336 18.408 19.000 -0.427 0.000 0.818 81 A HN 0.829 nan 8.150 nan 0.000 0.458 82 E N -1.791 118.052 120.200 -0.594 0.000 2.077 82 E HA -0.205 3.644 4.350 -0.835 0.000 0.193 82 E C 1.663 178.077 176.600 -0.310 0.000 0.989 82 E CA 1.750 57.838 56.400 -0.521 0.000 0.800 82 E CB -0.276 28.902 29.700 -0.871 0.000 0.746 82 E HN 0.883 nan 8.360 nan 0.000 0.452 83 Y N -1.830 118.484 120.300 0.023 0.000 2.559 83 Y HA 0.359 4.409 4.550 -0.834 0.000 0.279 83 Y C 1.874 177.792 175.900 0.030 0.000 1.117 83 Y CA 0.226 58.344 58.100 0.030 0.000 1.263 83 Y CB 0.413 38.892 38.460 0.033 0.000 1.230 83 Y HN 0.142 nan 8.280 nan 0.000 0.528 84 G N 0.427 109.310 108.800 0.139 0.000 2.218 84 G HA2 -0.263 3.196 3.960 -0.835 0.000 0.216 84 G HA3 -0.263 3.196 3.960 -0.835 0.000 0.216 84 G C -0.030 174.987 174.900 0.195 0.000 0.994 84 G CA -0.109 45.076 45.100 0.141 0.000 0.637 84 G HN 0.438 nan 8.290 nan 0.000 0.505 85 N N 1.258 120.058 118.700 0.166 0.000 2.518 85 N HA 0.513 4.752 4.740 -0.835 0.000 0.266 85 N C 0.268 175.784 175.510 0.009 0.000 1.196 85 N CA 0.787 53.899 53.050 0.103 0.000 0.947 85 N CB 1.525 40.077 38.487 0.108 0.000 1.098 85 N HN 0.818 nan 8.380 nan 0.000 0.450 86 S N 0.463 116.089 115.700 -0.122 0.000 2.798 86 S HA 0.832 4.802 4.470 -0.835 0.000 0.312 86 S C -0.440 174.003 174.600 -0.261 0.000 1.122 86 S CA -0.682 57.269 58.200 -0.414 0.000 0.949 86 S CB 1.111 63.700 63.200 -1.019 0.000 1.235 86 S HN 1.040 nan 8.310 nan 0.000 0.552 87 S N -0.759 114.762 115.700 -0.298 0.000 2.552 87 S HA 0.528 4.497 4.470 -0.835 0.000 0.272 87 S C -1.146 173.382 174.600 -0.121 0.000 1.150 87 S CA -1.043 57.067 58.200 -0.150 0.000 0.849 87 S CB 0.009 63.160 63.200 -0.081 0.000 1.113 87 S HN 0.737 nan 8.310 nan 0.000 0.458 88 I N 2.585 123.114 120.570 -0.069 0.000 2.517 88 I HA 0.215 3.884 4.170 -0.835 0.000 0.285 88 I C 0.481 176.611 176.117 0.020 0.000 1.106 88 I CA -0.146 61.136 61.300 -0.029 0.000 1.402 88 I CB 0.340 38.318 38.000 -0.036 0.000 1.399 88 I HN 0.791 nan 8.210 nan 0.000 0.535 89 F N 7.413 127.309 119.950 -0.089 0.000 2.678 89 F HA 0.413 4.439 4.527 -0.835 0.000 0.291 89 F C 0.289 176.053 175.800 -0.061 0.000 1.123 89 F CA 0.120 58.079 58.000 -0.069 0.000 1.395 89 F CB 0.585 39.549 39.000 -0.060 0.000 1.121 89 F HN 0.274 nan 8.300 nan 0.000 0.592 90 L N 1.325 122.592 121.223 0.074 0.000 2.849 90 L HA 0.211 4.050 4.340 -0.835 0.000 0.256 90 L C -1.057 175.808 176.870 -0.008 0.000 0.951 90 L CA -0.582 54.239 54.840 -0.031 0.000 1.003 90 L CB 1.072 43.118 42.059 -0.022 0.000 1.408 90 L HN -0.072 nan 8.230 nan 0.000 0.463 91 E N 2.106 122.280 120.200 -0.043 0.000 2.418 91 E HA 0.037 3.886 4.350 -0.835 0.000 0.261 91 E C -0.020 176.605 176.600 0.042 0.000 1.070 91 E CA -0.126 56.270 56.400 -0.007 0.000 0.931 91 E CB 0.562 30.246 29.700 -0.027 0.000 0.954 91 E HN 0.646 nan 8.360 nan 0.000 0.439 92 N N 1.100 119.859 118.700 0.099 0.000 2.216 92 N HA -0.148 4.092 4.740 -0.835 0.000 0.258 92 N C 0.727 176.301 175.510 0.107 0.000 1.262 92 N CA 0.538 53.709 53.050 0.202 0.000 0.907 92 N CB -0.322 38.216 38.487 0.086 0.000 0.977 92 N HN 0.687 nan 8.380 nan 0.000 0.436 93 S N -3.538 112.214 115.700 0.087 0.000 1.988 93 S HA -0.371 3.598 4.470 -0.835 0.000 0.231 93 S C 1.579 176.184 174.600 0.008 0.000 0.994 93 S CA 2.403 60.623 58.200 0.034 0.000 1.876 93 S CB -2.772 60.431 63.200 0.005 0.000 2.008 93 S HN 0.681 nan 8.310 nan 0.000 0.530 94 T N 1.974 116.490 114.554 -0.063 0.000 2.896 94 T HA 0.040 3.889 4.350 -0.835 0.000 0.270 94 T C 0.484 175.035 174.700 -0.248 0.000 1.104 94 T CA 1.498 63.487 62.100 -0.185 0.000 1.115 94 T CB -0.693 67.976 68.868 -0.330 0.000 0.843 94 T HN 0.499 nan 8.240 nan 0.000 0.523 95 F N 2.726 122.624 119.950 -0.087 0.000 2.423 95 F HA 0.226 4.253 4.527 -0.834 0.000 0.356 95 F C 0.101 175.851 175.800 -0.084 0.000 1.170 95 F CA -1.404 56.523 58.000 -0.121 0.000 1.163 95 F CB 0.321 39.215 39.000 -0.177 0.000 1.318 95 F HN -0.049 nan 8.300 nan 0.000 0.569 96 D N 4.306 124.751 120.400 0.074 0.000 2.493 96 D HA 0.006 4.146 4.640 -0.835 0.000 0.235 96 D C 0.322 176.628 176.300 0.010 0.000 1.117 96 D CA -0.205 53.814 54.000 0.032 0.000 0.930 96 D CB 0.542 41.348 40.800 0.010 0.000 1.010 96 D HN 0.498 nan 8.370 nan 0.000 0.514 97 E N 1.670 121.874 120.200 0.006 0.000 0.794 97 E HA -0.228 3.622 4.350 -0.835 0.000 0.205 97 E C -0.361 176.205 176.600 -0.058 0.000 0.535 97 E CA 0.463 56.851 56.400 -0.020 0.000 0.544 97 E CB -0.970 28.709 29.700 -0.034 0.000 1.012 97 E HN 0.541 nan 8.360 nan 0.000 0.248 98 L N 1.931 123.090 121.223 -0.108 0.000 2.623 98 L HA 0.141 3.980 4.340 -0.835 0.000 0.281 98 L C 1.830 178.498 176.870 -0.337 0.000 1.150 98 L CA 0.733 55.409 54.840 -0.274 0.000 0.965 98 L CB -0.366 41.434 42.059 -0.430 0.000 1.303 98 L HN 0.754 nan 8.230 nan 0.000 0.467 99 G N 2.253 110.981 108.800 -0.121 0.000 4.655 99 G HA2 -0.379 3.080 3.960 -0.835 0.000 0.220 99 G HA3 -0.379 3.080 3.960 -0.835 0.000 0.220 99 G C 0.307 175.317 174.900 0.184 0.000 1.403 99 G CA 0.710 45.882 45.100 0.120 0.000 0.931 99 G HN 0.475 nan 8.290 nan 0.000 0.654 100 Y N 0.132 120.444 120.300 0.020 0.000 2.639 100 Y HA 0.715 4.764 4.550 -0.834 0.000 0.105 100 Y C 1.105 177.003 175.900 -0.003 0.000 0.906 100 Y CA 0.639 58.756 58.100 0.029 0.000 1.834 100 Y CB 0.224 38.727 38.460 0.071 0.000 1.159 100 Y HN 0.749 nan 8.280 nan 0.000 0.238 101 S N -0.750 115.083 115.700 0.223 0.000 2.546 101 S HA 0.434 4.403 4.470 -0.835 0.000 0.274 101 S C -1.160 173.467 174.600 0.045 0.000 1.121 101 S CA -0.575 57.666 58.200 0.069 0.000 0.887 101 S CB 1.292 64.507 63.200 0.025 0.000 1.094 101 S HN 0.250 nan 8.310 nan 0.000 0.474 102 T N 5.015 119.546 114.554 -0.038 0.000 3.182 102 T HA 0.099 3.948 4.350 -0.835 0.000 0.274 102 T C 1.666 176.310 174.700 -0.094 0.000 0.997 102 T CA -0.352 61.712 62.100 -0.060 0.000 1.082 102 T CB -0.640 68.124 68.868 -0.173 0.000 1.005 102 T HN 0.703 nan 8.240 nan 0.000 0.688 103 N N 2.278 120.942 118.700 -0.060 0.000 2.309 103 N HA -0.080 4.159 4.740 -0.835 0.000 0.182 103 N C 0.157 175.604 175.510 -0.106 0.000 1.018 103 N CA 0.840 53.815 53.050 -0.124 0.000 0.876 103 N CB 0.239 38.601 38.487 -0.208 0.000 0.972 103 N HN 0.524 nan 8.380 nan 0.000 0.434 104 D N -1.623 118.765 120.400 -0.020 0.000 2.654 104 D HA 0.385 4.524 4.640 -0.835 0.000 0.231 104 D C -1.809 174.598 176.300 0.178 0.000 1.239 104 D CA -0.726 53.267 54.000 -0.011 0.000 0.790 104 D CB 1.181 41.977 40.800 -0.008 0.000 1.480 104 D HN 0.170 nan 8.370 nan 0.000 0.442 105 Y N -0.363 120.058 120.300 0.203 0.000 2.534 105 Y HA 0.799 4.849 4.550 -0.834 0.000 0.345 105 Y C -1.272 174.835 175.900 0.344 0.000 1.031 105 Y CA -1.132 57.178 58.100 0.349 0.000 1.022 105 Y CB 1.835 40.529 38.460 0.390 0.000 1.292 105 Y HN 0.191 nan 8.280 nan 0.000 0.459 106 S N 2.245 118.321 115.700 0.627 0.000 2.677 106 S HA 0.703 4.672 4.470 -0.835 0.000 0.283 106 S C -1.643 173.417 174.600 0.766 0.000 1.159 106 S CA -0.576 57.971 58.200 0.577 0.000 1.001 106 S CB 0.930 64.397 63.200 0.446 0.000 1.032 106 S HN 0.693 nan 8.310 nan 0.000 0.487 107 V N 4.731 124.974 119.914 0.548 0.000 2.567 107 V HA 0.493 4.112 4.120 -0.835 0.000 0.289 107 V C 0.799 176.819 176.094 -0.123 0.000 1.049 107 V CA -0.689 61.806 62.300 0.325 0.000 0.969 107 V CB 1.523 33.483 31.823 0.228 0.000 0.995 107 V HN 1.013 nan 8.190 nan 0.000 0.471 108 S N 6.027 121.252 115.700 -0.792 0.000 2.573 108 S HA 0.162 4.131 4.470 -0.835 0.000 0.277 108 S C -1.114 173.223 174.600 -0.437 0.000 1.346 108 S CA -0.572 56.800 58.200 -1.379 0.000 1.034 108 S CB 0.682 62.999 63.200 -1.472 0.000 0.879 108 S HN 0.682 nan 8.310 nan 0.000 0.528 109 P HA -0.135 nan 4.420 nan 0.000 0.218 109 P C 0.508 177.768 177.300 -0.066 0.000 1.148 109 P CA 1.554 64.601 63.100 -0.088 0.000 0.822 109 P CB -0.340 31.332 31.700 -0.047 0.000 0.784 110 D N -1.288 119.051 120.400 -0.101 0.000 2.328 110 D HA -0.022 4.118 4.640 -0.835 0.000 0.226 110 D C 0.642 176.921 176.300 -0.036 0.000 1.066 110 D CA -0.319 53.646 54.000 -0.059 0.000 0.861 110 D CB -0.699 40.054 40.800 -0.077 0.000 0.912 110 D HN -0.053 nan 8.370 nan 0.000 0.521 111 R N -1.143 119.338 120.500 -0.030 0.000 3.863 111 R HA -0.257 3.582 4.340 -0.835 0.000 0.313 111 R C 0.968 177.236 176.300 -0.052 0.000 1.202 111 R CA 1.234 57.363 56.100 0.048 0.000 0.852 111 R CB -2.280 28.110 30.300 0.150 0.000 1.292 111 R HN 0.379 nan 8.270 nan 0.000 0.519 112 Q N -1.190 118.517 119.800 -0.154 0.000 2.354 112 Q HA 0.135 3.975 4.340 -0.835 0.000 0.203 112 Q C -0.184 175.298 176.000 -0.865 0.000 0.933 112 Q CA 0.811 56.335 55.803 -0.466 0.000 0.901 112 Q CB 0.394 28.872 28.738 -0.432 0.000 1.007 112 Q HN 0.225 nan 8.270 nan 0.000 0.495 113 F N -0.975 118.904 119.950 -0.119 0.000 2.643 113 F HA 0.534 4.560 4.527 -0.834 0.000 0.314 113 F C -0.683 175.154 175.800 0.061 0.000 1.096 113 F CA -1.173 56.799 58.000 -0.046 0.000 0.953 113 F CB 1.639 40.621 39.000 -0.031 0.000 1.345 113 F HN -0.237 nan 8.300 nan 0.000 0.468 114 I N 2.013 122.835 120.570 0.421 0.000 2.619 114 I HA 0.459 4.128 4.170 -0.835 0.000 0.292 114 I C -1.777 174.621 176.117 0.469 0.000 1.100 114 I CA -0.733 60.841 61.300 0.456 0.000 1.043 114 I CB 1.873 40.087 38.000 0.357 0.000 1.239 114 I HN 0.473 nan 8.210 nan 0.000 0.420 115 L N 7.450 129.065 121.223 0.652 0.000 2.289 115 L HA 0.506 4.345 4.340 -0.835 0.000 0.285 115 L C -1.198 176.075 176.870 0.673 0.000 1.049 115 L CA -0.440 54.689 54.840 0.481 0.000 0.804 115 L CB 1.173 43.407 42.059 0.292 0.000 1.195 115 L HN 0.532 nan 8.230 nan 0.000 0.428 116 F N 2.848 123.018 119.950 0.367 0.000 2.469 116 F HA 0.355 4.381 4.527 -0.835 0.000 0.332 116 F C 0.248 176.246 175.800 0.329 0.000 1.103 116 F CA -0.911 57.304 58.000 0.358 0.000 0.979 116 F CB 2.138 41.317 39.000 0.300 0.000 1.137 116 F HN 0.466 nan 8.300 nan 0.000 0.463 117 E N 4.367 124.807 120.200 0.400 0.000 2.171 117 E HA 0.338 4.188 4.350 -0.835 0.000 0.271 117 E C -1.716 174.928 176.600 0.073 0.000 0.916 117 E CA -0.504 55.908 56.400 0.020 0.000 0.774 117 E CB 1.702 31.408 29.700 0.009 0.000 1.128 117 E HN 0.585 nan 8.360 nan 0.000 0.403 118 Y N 1.609 121.800 120.300 -0.181 0.000 2.715 118 Y HA 0.449 4.498 4.550 -0.834 0.000 0.331 118 Y C -0.098 175.709 175.900 -0.155 0.000 1.197 118 Y CA -1.386 56.658 58.100 -0.092 0.000 1.079 118 Y CB 0.467 38.934 38.460 0.012 0.000 1.298 118 Y HN 0.572 nan 8.280 nan 0.000 0.477 119 N N -0.415 118.264 118.700 -0.035 0.000 2.721 119 N HA -0.306 3.934 4.740 -0.835 0.000 0.249 119 N C -1.164 174.178 175.510 -0.281 0.000 1.072 119 N CA 0.924 53.796 53.050 -0.296 0.000 0.710 119 N CB -1.565 36.738 38.487 -0.306 0.000 0.993 119 N HN 0.795 nan 8.380 nan 0.000 0.547 120 Y N -0.214 119.892 120.300 -0.324 0.000 2.632 120 Y HA 0.257 4.306 4.550 -0.835 0.000 0.329 120 Y C 0.060 175.819 175.900 -0.235 0.000 1.174 120 Y CA 0.066 57.986 58.100 -0.300 0.000 1.469 120 Y CB 0.568 38.826 38.460 -0.336 0.000 1.242 120 Y HN -0.022 nan 8.280 nan 0.000 0.540 121 V N 8.328 127.877 119.914 -0.607 0.000 2.380 121 V HA 0.143 3.762 4.120 -0.835 0.000 0.272 121 V C -0.107 175.678 176.094 -0.515 0.000 1.011 121 V CA -1.335 60.718 62.300 -0.411 0.000 0.826 121 V CB 0.811 32.479 31.823 -0.258 0.000 1.040 121 V HN 0.769 nan 8.190 nan 0.000 0.441 122 K N 3.267 123.385 120.400 -0.470 0.000 2.559 122 K HA -0.011 3.808 4.320 -0.835 0.000 0.279 122 K C 0.512 176.993 176.600 -0.199 0.000 0.967 122 K CA 0.814 56.964 56.287 -0.229 0.000 1.000 122 K CB 0.966 33.531 32.500 0.108 0.000 0.890 122 K HN 0.784 nan 8.250 nan 0.000 0.501 123 Q N 2.841 122.512 119.800 -0.215 0.000 2.175 123 Q HA 0.162 4.002 4.340 -0.835 0.000 0.177 123 Q C 0.287 176.161 176.000 -0.210 0.000 0.636 123 Q CA -0.436 55.082 55.803 -0.475 0.000 0.657 123 Q CB 0.099 28.375 28.738 -0.768 0.000 1.760 123 Q HN 0.771 nan 8.270 nan 0.000 0.417 124 W N 0.084 121.362 121.300 -0.037 0.000 1.763 124 W HA 0.291 4.449 4.660 -0.837 0.000 0.645 124 W C 2.011 178.507 176.519 -0.038 0.000 1.367 124 W CA -0.466 56.885 57.345 0.010 0.000 1.064 124 W CB -0.159 29.259 29.460 -0.070 0.000 3.517 124 W HN 0.243 nan 8.180 nan 0.000 0.762 125 R N -0.921 119.663 120.500 0.139 0.000 2.127 125 R HA -0.024 3.815 4.340 -0.835 0.000 0.217 125 R C 1.761 177.864 176.300 -0.328 0.000 1.074 125 R CA 1.525 57.529 56.100 -0.160 0.000 0.991 125 R CB -0.305 29.760 30.300 -0.392 0.000 0.895 125 R HN 0.385 nan 8.270 nan 0.000 0.450 126 H N -1.363 117.760 119.070 0.090 0.000 2.926 126 H HA 0.262 4.319 4.556 -0.833 0.000 0.249 126 H C 0.388 175.752 175.328 0.059 0.000 0.963 126 H CA 0.534 56.646 56.048 0.106 0.000 1.158 126 H CB 0.180 29.977 29.762 0.058 0.000 1.445 126 H HN 0.163 nan 8.280 nan 0.000 0.452 127 S N 1.373 117.028 115.700 -0.074 0.000 2.600 127 S HA 0.352 4.321 4.470 -0.835 0.000 0.265 127 S C -0.267 174.183 174.600 -0.251 0.000 1.325 127 S CA -0.330 57.553 58.200 -0.529 0.000 1.002 127 S CB 0.707 63.185 63.200 -1.204 0.000 0.921 127 S HN 0.469 nan 8.310 nan 0.000 0.554 128 Y N -3.152 116.968 120.300 -0.299 0.000 2.879 128 Y HA 0.533 4.581 4.550 -0.836 0.000 0.385 128 Y C -0.815 174.981 175.900 -0.174 0.000 1.153 128 Y CA -0.853 57.037 58.100 -0.350 0.000 1.245 128 Y CB 0.118 38.226 38.460 -0.586 0.000 1.472 128 Y HN 0.990 nan 8.280 nan 0.000 0.490 129 T N -0.030 114.549 114.554 0.043 0.000 2.940 129 T HA 1.061 4.910 4.350 -0.835 0.000 0.288 129 T C -0.344 174.364 174.700 0.015 0.000 1.045 129 T CA -0.140 62.008 62.100 0.080 0.000 1.018 129 T CB 1.814 70.665 68.868 -0.028 0.000 1.151 129 T HN 2.192 nan 8.240 nan 0.000 0.529 130 A N 0.441 123.242 122.820 -0.032 0.000 2.483 130 A HA 0.719 4.538 4.320 -0.835 0.000 0.294 130 A C -0.882 176.432 177.584 -0.450 0.000 1.077 130 A CA -0.962 50.889 52.037 -0.309 0.000 0.633 130 A CB 0.702 19.450 19.000 -0.420 0.000 1.318 130 A HN 0.923 nan 8.150 nan 0.000 0.455 131 S N -0.697 114.505 115.700 -0.830 0.000 2.532 131 S HA 0.805 4.775 4.470 -0.835 0.000 0.301 131 S C -1.674 172.313 174.600 -1.022 0.000 1.083 131 S CA -0.131 57.539 58.200 -0.883 0.000 1.025 131 S CB 0.862 63.277 63.200 -1.308 0.000 1.056 131 S HN 0.464 nan 8.310 nan 0.000 0.494 132 Y N 0.456 120.574 120.300 -0.303 0.000 2.477 132 Y HA 0.499 4.548 4.550 -0.835 0.000 0.347 132 Y C -0.214 175.752 175.900 0.109 0.000 0.981 132 Y CA -0.980 57.092 58.100 -0.046 0.000 1.033 132 Y CB 1.496 39.877 38.460 -0.132 0.000 1.245 132 Y HN 0.469 nan 8.280 nan 0.000 0.455 133 D N 2.462 123.105 120.400 0.406 0.000 2.342 133 D HA 0.578 4.718 4.640 -0.835 0.000 0.243 133 D C -0.817 175.571 176.300 0.147 0.000 1.019 133 D CA -0.301 53.859 54.000 0.267 0.000 0.864 133 D CB 2.286 43.262 40.800 0.294 0.000 1.315 133 D HN 0.398 nan 8.370 nan 0.000 0.468 134 I N 1.781 122.393 120.570 0.070 0.000 2.406 134 I HA 0.264 3.934 4.170 -0.835 0.000 0.290 134 I C -1.067 175.101 176.117 0.086 0.000 0.999 134 I CA -1.021 60.331 61.300 0.086 0.000 1.124 134 I CB 1.616 39.651 38.000 0.057 0.000 1.289 134 I HN 0.219 nan 8.210 nan 0.000 0.441 135 Y N 5.395 125.630 120.300 -0.108 0.000 2.335 135 Y HA 0.300 4.349 4.550 -0.834 0.000 0.338 135 Y C -0.189 175.721 175.900 0.017 0.000 0.977 135 Y CA -0.640 57.367 58.100 -0.155 0.000 1.114 135 Y CB 1.221 39.397 38.460 -0.474 0.000 1.182 135 Y HN 0.488 nan 8.280 nan 0.000 0.463 136 D N 6.337 126.529 120.400 -0.347 0.000 2.336 136 D HA 0.080 4.220 4.640 -0.835 0.000 0.249 136 D C 0.670 176.637 176.300 -0.556 0.000 1.213 136 D CA 0.315 54.103 54.000 -0.354 0.000 0.870 136 D CB 1.014 41.661 40.800 -0.255 0.000 1.076 136 D HN 0.871 nan 8.370 nan 0.000 0.483 137 L N 3.590 124.564 121.223 -0.415 0.000 2.465 137 L HA -0.074 3.765 4.340 -0.835 0.000 0.224 137 L C 1.883 178.564 176.870 -0.316 0.000 1.145 137 L CA 0.234 54.894 54.840 -0.300 0.000 0.834 137 L CB -0.187 41.706 42.059 -0.278 0.000 0.944 137 L HN 0.361 nan 8.230 nan 0.000 0.451 138 N N 0.701 119.187 118.700 -0.357 0.000 2.202 138 N HA -0.076 4.164 4.740 -0.835 0.000 0.191 138 N C 1.559 176.929 175.510 -0.234 0.000 1.054 138 N CA 0.843 53.731 53.050 -0.269 0.000 0.877 138 N CB -0.223 38.105 38.487 -0.265 0.000 1.057 138 N HN 0.191 nan 8.380 nan 0.000 0.456 139 K N 0.996 121.252 120.400 -0.240 0.000 2.286 139 K HA -0.003 3.816 4.320 -0.835 0.000 0.203 139 K C 0.038 176.493 176.600 -0.242 0.000 1.045 139 K CA 0.488 56.653 56.287 -0.203 0.000 0.935 139 K CB -0.012 32.378 32.500 -0.184 0.000 0.737 139 K HN 0.232 nan 8.250 nan 0.000 0.460 140 R N 0.285 120.573 120.500 -0.352 0.000 3.770 140 R HA -0.195 3.644 4.340 -0.835 0.000 0.305 140 R C -0.431 175.573 176.300 -0.494 0.000 1.184 140 R CA 0.786 56.654 56.100 -0.388 0.000 0.823 140 R CB -2.157 28.057 30.300 -0.144 0.000 1.285 140 R HN 0.465 nan 8.270 nan 0.000 0.499 141 Q N -0.039 119.402 119.800 -0.599 0.000 2.427 141 Q HA 0.679 4.518 4.340 -0.835 0.000 0.232 141 Q C -0.269 175.393 176.000 -0.563 0.000 1.018 141 Q CA -0.979 54.581 55.803 -0.406 0.000 0.965 141 Q CB 1.487 30.095 28.738 -0.216 0.000 1.232 141 Q HN 0.194 nan 8.270 nan 0.000 0.510 142 L N 1.232 122.345 121.223 -0.184 0.000 2.317 142 L HA 0.417 4.256 4.340 -0.835 0.000 0.281 142 L C -1.176 175.665 176.870 -0.048 0.000 1.024 142 L CA -0.953 53.862 54.840 -0.041 0.000 0.810 142 L CB 1.055 43.171 42.059 0.095 0.000 1.240 142 L HN 0.497 nan 8.230 nan 0.000 0.427 143 I N 3.309 123.865 120.570 -0.024 0.000 2.556 143 I HA 0.100 3.769 4.170 -0.835 0.000 0.284 143 I C 1.252 177.362 176.117 -0.011 0.000 1.114 143 I CA 0.598 61.886 61.300 -0.020 0.000 1.418 143 I CB 1.372 39.359 38.000 -0.021 0.000 1.394 143 I HN 0.734 nan 8.210 nan 0.000 0.552 144 T N 1.071 115.614 114.554 -0.018 0.000 2.955 144 T HA 0.164 4.014 4.350 -0.835 0.000 0.251 144 T C 0.428 175.116 174.700 -0.020 0.000 1.002 144 T CA -0.382 61.711 62.100 -0.012 0.000 0.970 144 T CB 0.034 68.896 68.868 -0.009 0.000 1.091 144 T HN 0.541 nan 8.240 nan 0.000 0.495 145 E N 2.462 122.646 120.200 -0.027 0.000 2.266 145 E HA 0.228 4.077 4.350 -0.835 0.000 0.277 145 E C -0.685 175.890 176.600 -0.042 0.000 1.018 145 E CA -0.434 55.948 56.400 -0.030 0.000 0.840 145 E CB 0.558 30.243 29.700 -0.026 0.000 1.082 145 E HN 0.156 nan 8.360 nan 0.000 0.395 146 E N 1.189 121.360 120.200 -0.048 0.000 2.393 146 E HA -0.214 3.636 4.350 -0.835 0.000 0.169 146 E C -0.744 175.806 176.600 -0.084 0.000 1.591 146 E CA 0.596 56.958 56.400 -0.064 0.000 0.661 146 E CB -1.278 28.391 29.700 -0.053 0.000 1.097 146 E HN 0.559 nan 8.360 nan 0.000 0.356 147 R N 0.760 121.204 120.500 -0.095 0.000 2.543 147 R HA 0.467 4.306 4.340 -0.835 0.000 0.268 147 R C 1.057 177.238 176.300 -0.200 0.000 1.067 147 R CA -0.914 55.121 56.100 -0.109 0.000 1.142 147 R CB 0.759 31.022 30.300 -0.062 0.000 1.110 147 R HN 0.122 nan 8.270 nan 0.000 0.549 148 I N 2.942 123.366 120.570 -0.243 0.000 2.556 148 I HA 0.118 3.788 4.170 -0.835 0.000 0.284 148 I C -1.792 174.070 176.117 -0.425 0.000 1.114 148 I CA -2.467 58.554 61.300 -0.465 0.000 1.418 148 I CB 0.105 37.815 38.000 -0.483 0.000 1.394 148 I HN 0.325 nan 8.210 nan 0.000 0.552 149 P HA -0.043 nan 4.420 nan 0.000 0.267 149 P C -0.010 177.142 177.300 -0.246 0.000 1.195 149 P CA 0.093 62.839 63.100 -0.590 0.000 0.773 149 P CB 0.421 31.320 31.700 -1.335 0.000 0.837 150 N N 2.615 121.268 118.700 -0.077 0.000 2.530 150 N HA 0.001 4.240 4.740 -0.835 0.000 0.273 150 N C -0.169 175.450 175.510 0.180 0.000 1.173 150 N CA -0.256 52.803 53.050 0.015 0.000 0.967 150 N CB -0.008 38.499 38.487 0.033 0.000 1.109 150 N HN 0.356 nan 8.380 nan 0.000 0.453 151 N N 0.544 119.298 118.700 0.090 0.000 2.869 151 N HA -0.134 4.106 4.740 -0.835 0.000 0.249 151 N C -1.006 174.638 175.510 0.225 0.000 1.104 151 N CA 0.543 53.660 53.050 0.111 0.000 0.760 151 N CB -1.863 36.675 38.487 0.085 0.000 1.108 151 N HN 0.514 nan 8.380 nan 0.000 0.555 152 T N 1.052 115.760 114.554 0.256 0.000 2.902 152 T HA 0.045 3.894 4.350 -0.835 0.000 0.301 152 T C 1.734 176.607 174.700 0.287 0.000 1.012 152 T CA 0.328 62.608 62.100 0.300 0.000 1.151 152 T CB 1.012 69.967 68.868 0.146 0.000 0.946 152 T HN 0.179 nan 8.240 nan 0.000 0.542 153 Q N 1.663 121.625 119.800 0.269 0.000 2.302 153 Q HA 0.162 4.001 4.340 -0.835 0.000 0.202 153 Q C 0.133 176.351 176.000 0.362 0.000 0.936 153 Q CA 0.392 56.372 55.803 0.296 0.000 0.886 153 Q CB 0.742 29.626 28.738 0.244 0.000 0.986 153 Q HN 0.731 nan 8.270 nan 0.000 0.487 154 W N -0.044 121.265 121.300 0.014 0.000 3.818 154 W HA 0.484 4.643 4.660 -0.835 0.000 0.283 154 W C -2.391 174.078 176.519 -0.085 0.000 1.265 154 W CA -0.727 56.581 57.345 -0.062 0.000 1.226 154 W CB 0.933 30.295 29.460 -0.164 0.000 1.281 154 W HN -0.082 nan 8.180 nan 0.000 0.539 155 I N 4.541 124.430 120.570 -1.134 0.000 2.827 155 I HA 0.703 4.372 4.170 -0.835 0.000 0.298 155 I C -1.598 173.939 176.117 -0.967 0.000 1.235 155 I CA -0.130 60.659 61.300 -0.851 0.000 1.021 155 I CB 2.609 40.033 38.000 -0.960 0.000 1.259 155 I HN 0.344 nan 8.210 nan 0.000 0.427 156 T N 4.553 118.810 114.554 -0.495 0.000 3.097 156 T HA 0.379 4.229 4.350 -0.835 0.000 0.332 156 T C -1.640 173.082 174.700 0.037 0.000 1.269 156 T CA -0.312 61.651 62.100 -0.229 0.000 1.076 156 T CB 0.528 69.441 68.868 0.076 0.000 1.209 156 T HN 0.575 nan 8.240 nan 0.000 0.474 157 W N 3.168 124.544 121.300 0.126 0.000 2.126 157 W HA 0.447 4.607 4.660 -0.834 0.000 0.346 157 W C 1.328 177.849 176.519 0.004 0.000 1.279 157 W CA -0.624 56.772 57.345 0.086 0.000 1.259 157 W CB 0.693 30.196 29.460 0.072 0.000 1.133 157 W HN 0.822 nan 8.180 nan 0.000 0.592 158 S N 1.280 116.936 115.700 -0.073 0.000 2.624 158 S HA 0.238 4.207 4.470 -0.835 0.000 0.263 158 S C -1.899 172.532 174.600 -0.281 0.000 1.287 158 S CA -1.064 56.571 58.200 -0.942 0.000 0.990 158 S CB 0.871 63.233 63.200 -1.397 0.000 0.950 158 S HN 0.254 nan 8.310 nan 0.000 0.561 159 P HA -0.006 nan 4.420 nan 0.000 0.215 159 P C 0.348 177.611 177.300 -0.061 0.000 1.157 159 P CA 1.010 64.085 63.100 -0.041 0.000 0.868 159 P CB -0.185 31.506 31.700 -0.016 0.000 0.788 160 V N -5.773 114.057 119.914 -0.141 0.000 2.680 160 V HA 0.870 4.489 4.120 -0.835 0.000 0.309 160 V C 0.479 176.461 176.094 -0.188 0.000 1.052 160 V CA -0.179 62.045 62.300 -0.126 0.000 0.908 160 V CB 0.811 32.572 31.823 -0.104 0.000 1.001 160 V HN 0.532 nan 8.190 nan 0.000 0.431 161 G N 3.520 112.209 108.800 -0.185 0.000 2.554 161 G HA2 -0.172 3.287 3.960 -0.835 0.000 0.253 161 G HA3 -0.172 3.287 3.960 -0.835 0.000 0.253 161 G C 0.237 174.992 174.900 -0.241 0.000 1.172 161 G CA 0.774 45.699 45.100 -0.291 0.000 0.950 161 G HN 2.502 nan 8.290 nan 0.000 0.557 162 H N -0.883 118.139 119.070 -0.080 0.000 3.591 162 H HA 0.407 4.463 4.556 -0.835 0.000 0.232 162 H C 0.393 175.835 175.328 0.191 0.000 1.304 162 H CA -0.172 55.848 56.048 -0.046 0.000 1.112 162 H CB -0.303 29.425 29.762 -0.056 0.000 2.909 162 H HN 0.523 nan 8.280 nan 0.000 0.595 163 K N 1.338 121.860 120.400 0.203 0.000 2.136 163 K HA 0.509 4.329 4.320 -0.835 0.000 0.237 163 K C -0.393 176.402 176.600 0.325 0.000 1.048 163 K CA -0.316 56.065 56.287 0.156 0.000 0.880 163 K CB 1.124 33.491 32.500 -0.221 0.000 1.105 163 K HN 0.135 nan 8.250 nan 0.000 0.507 164 L N -0.202 121.219 121.223 0.330 0.000 2.472 164 L HA 0.505 4.344 4.340 -0.835 0.000 0.260 164 L C -1.520 175.598 176.870 0.414 0.000 0.963 164 L CA -0.803 54.196 54.840 0.265 0.000 0.829 164 L CB 2.272 44.316 42.059 -0.024 0.000 1.348 164 L HN 0.745 nan 8.230 nan 0.000 0.408 165 A N 2.321 125.334 122.820 0.322 0.000 2.393 165 A HA 0.887 4.707 4.320 -0.835 0.000 0.306 165 A C -1.777 175.800 177.584 -0.011 0.000 1.050 165 A CA -0.362 51.693 52.037 0.031 0.000 0.724 165 A CB 1.523 20.349 19.000 -0.290 0.000 1.248 165 A HN 0.664 nan 8.150 nan 0.000 0.424 166 Y N -0.782 119.451 120.300 -0.113 0.000 2.609 166 Y HA 0.736 4.785 4.550 -0.835 0.000 0.336 166 Y C -1.444 174.453 175.900 -0.005 0.000 1.129 166 Y CA -1.541 56.476 58.100 -0.139 0.000 1.040 166 Y CB 0.736 39.047 38.460 -0.248 0.000 1.310 166 Y HN 0.499 nan 8.280 nan 0.000 0.460 167 V N 1.842 121.923 119.914 0.280 0.000 2.628 167 V HA 0.529 4.148 4.120 -0.835 0.000 0.306 167 V C -1.438 174.908 176.094 0.418 0.000 1.045 167 V CA -0.666 61.782 62.300 0.245 0.000 0.905 167 V CB 1.721 33.605 31.823 0.101 0.000 0.997 167 V HN 0.906 nan 8.190 nan 0.000 0.436 168 W N 3.707 125.086 121.300 0.133 0.000 3.439 168 W HA 0.421 4.581 4.660 -0.832 0.000 0.323 168 W C 0.130 176.674 176.519 0.041 0.000 1.174 168 W CA -0.653 56.726 57.345 0.056 0.000 1.224 168 W CB 1.204 30.637 29.460 -0.044 0.000 1.348 168 W HN 0.772 nan 8.180 nan 0.000 0.498 169 N N 5.528 123.886 118.700 -0.571 0.000 2.707 169 N HA -0.362 3.878 4.740 -0.835 0.000 0.253 169 N C 0.049 175.415 175.510 -0.241 0.000 0.998 169 N CA 1.175 53.898 53.050 -0.545 0.000 0.751 169 N CB -0.999 36.962 38.487 -0.875 0.000 0.920 169 N HN 0.836 nan 8.380 nan 0.000 0.539 170 N N -1.280 117.331 118.700 -0.148 0.000 2.708 170 N HA -0.183 4.056 4.740 -0.835 0.000 0.251 170 N C -1.284 174.166 175.510 -0.101 0.000 1.123 170 N CA 0.997 53.975 53.050 -0.120 0.000 0.739 170 N CB -0.288 38.064 38.487 -0.224 0.000 1.113 170 N HN 0.466 nan 8.380 nan 0.000 0.561 171 D N 0.144 120.522 120.400 -0.036 0.000 2.490 171 D HA 0.487 4.627 4.640 -0.835 0.000 0.232 171 D C 0.118 176.342 176.300 -0.127 0.000 1.053 171 D CA -0.422 53.490 54.000 -0.146 0.000 0.914 171 D CB 1.675 42.364 40.800 -0.184 0.000 1.431 171 D HN -0.018 nan 8.370 nan 0.000 0.483 172 I N 1.198 121.493 120.570 -0.458 0.000 2.428 172 I HA 0.270 3.939 4.170 -0.835 0.000 0.296 172 I C -0.840 174.820 176.117 -0.762 0.000 0.985 172 I CA -0.499 60.511 61.300 -0.483 0.000 1.260 172 I CB 0.694 38.325 38.000 -0.615 0.000 1.389 172 I HN 0.155 nan 8.210 nan 0.000 0.484 173 Y N 3.840 123.729 120.300 -0.686 0.000 2.457 173 Y HA 0.505 4.554 4.550 -0.835 0.000 0.343 173 Y C -0.491 175.021 175.900 -0.647 0.000 0.994 173 Y CA -0.938 56.694 58.100 -0.780 0.000 1.031 173 Y CB 2.010 39.713 38.460 -1.263 0.000 1.246 173 Y HN 0.089 nan 8.280 nan 0.000 0.449 174 V N 3.849 123.621 119.914 -0.236 0.000 2.378 174 V HA 0.401 4.021 4.120 -0.835 0.000 0.288 174 V C -0.586 175.529 176.094 0.036 0.000 1.016 174 V CA -1.304 60.960 62.300 -0.060 0.000 0.840 174 V CB 1.351 33.173 31.823 -0.002 0.000 0.994 174 V HN 0.613 nan 8.190 nan 0.000 0.431 175 K N 3.952 124.413 120.400 0.102 0.000 2.354 175 K HA 0.373 4.192 4.320 -0.835 0.000 0.257 175 K C 0.594 177.264 176.600 0.116 0.000 1.062 175 K CA -0.188 56.155 56.287 0.094 0.000 0.971 175 K CB 0.965 33.516 32.500 0.084 0.000 1.305 175 K HN 0.619 nan 8.250 nan 0.000 0.449 176 N N 1.519 120.281 118.700 0.104 0.000 2.043 176 N HA -0.135 4.105 4.740 -0.835 0.000 0.193 176 N C -0.004 175.578 175.510 0.119 0.000 1.037 176 N CA 1.089 54.209 53.050 0.117 0.000 0.851 176 N CB 0.276 38.815 38.487 0.087 0.000 1.027 176 N HN 0.431 nan 8.380 nan 0.000 0.422 177 E N -0.462 119.764 120.200 0.043 0.000 2.207 177 E HA 0.202 4.052 4.350 -0.835 0.000 0.270 177 E C -1.770 174.740 176.600 -0.151 0.000 0.927 177 E CA -2.019 54.345 56.400 -0.061 0.000 0.799 177 E CB 1.480 31.166 29.700 -0.024 0.000 1.172 177 E HN -0.067 nan 8.360 nan 0.000 0.404 178 P HA -0.169 nan 4.420 nan 0.000 0.210 178 P C 1.028 178.226 177.300 -0.170 0.000 1.189 178 P CA 1.417 64.332 63.100 -0.309 0.000 0.920 178 P CB 0.148 31.500 31.700 -0.581 0.000 0.782 179 N N -0.232 118.380 118.700 -0.147 0.000 2.348 179 N HA -0.116 4.124 4.740 -0.835 0.000 0.185 179 N C 0.633 176.111 175.510 -0.053 0.000 1.019 179 N CA 1.045 54.048 53.050 -0.077 0.000 0.880 179 N CB -1.011 37.447 38.487 -0.049 0.000 0.965 179 N HN 0.116 nan 8.380 nan 0.000 0.437 180 L N 1.331 122.524 121.223 -0.049 0.000 2.479 180 L HA 0.138 3.977 4.340 -0.835 0.000 0.248 180 L C 1.310 178.169 176.870 -0.019 0.000 1.205 180 L CA -0.119 54.707 54.840 -0.023 0.000 0.817 180 L CB 0.795 42.849 42.059 -0.009 0.000 1.162 180 L HN 0.276 nan 8.230 nan 0.000 0.486 181 S N 0.046 115.743 115.700 -0.005 0.000 2.624 181 S HA 0.345 4.315 4.470 -0.835 0.000 0.263 181 S C -0.001 174.609 174.600 0.018 0.000 1.287 181 S CA -0.513 57.687 58.200 0.000 0.000 0.990 181 S CB 1.197 64.401 63.200 0.006 0.000 0.950 181 S HN 0.633 nan 8.310 nan 0.000 0.561 182 S N 0.391 116.111 115.700 0.033 0.000 2.565 182 S HA 0.486 4.455 4.470 -0.835 0.000 0.290 182 S C -0.651 173.975 174.600 0.043 0.000 1.150 182 S CA -0.789 57.444 58.200 0.055 0.000 1.058 182 S CB 1.187 64.453 63.200 0.110 0.000 1.032 182 S HN 0.854 nan 8.310 nan 0.000 0.510 183 Q N 1.768 121.566 119.800 -0.003 0.000 2.340 183 Q HA 0.352 4.191 4.340 -0.835 0.000 0.259 183 Q C -0.345 175.533 176.000 -0.203 0.000 0.964 183 Q CA -0.386 55.389 55.803 -0.047 0.000 0.900 183 Q CB 0.949 29.673 28.738 -0.024 0.000 1.228 183 Q HN 0.736 nan 8.270 nan 0.000 0.449 184 R N 4.560 124.869 120.500 -0.319 0.000 2.489 184 R HA 0.096 3.935 4.340 -0.835 0.000 0.287 184 R C 0.171 176.117 176.300 -0.590 0.000 1.053 184 R CA -0.049 55.549 56.100 -0.836 0.000 1.036 184 R CB 0.434 30.081 30.300 -1.087 0.000 0.966 184 R HN 0.787 nan 8.270 nan 0.000 0.432 185 I N 2.163 122.314 120.570 -0.698 0.000 3.526 185 I HA 0.008 3.677 4.170 -0.835 0.000 0.294 185 I C 0.950 176.819 176.117 -0.413 0.000 1.229 185 I CA 0.766 61.806 61.300 -0.433 0.000 1.408 185 I CB -0.448 37.287 38.000 -0.441 0.000 1.127 185 I HN 0.670 nan 8.210 nan 0.000 0.439 186 T N -4.075 110.087 114.554 -0.653 0.000 2.896 186 T HA 0.428 4.277 4.350 -0.835 0.000 0.297 186 T C -0.714 173.613 174.700 -0.621 0.000 1.108 186 T CA -0.499 61.331 62.100 -0.448 0.000 1.004 186 T CB 1.985 70.574 68.868 -0.464 0.000 1.159 186 T HN 0.124 nan 8.240 nan 0.000 0.499 187 W N -0.209 120.982 121.300 -0.182 0.000 2.534 187 W HA 0.216 4.375 4.660 -0.834 0.000 0.339 187 W C 2.251 178.721 176.519 -0.083 0.000 0.961 187 W CA 0.184 57.459 57.345 -0.116 0.000 1.545 187 W CB 0.020 29.427 29.460 -0.089 0.000 1.104 187 W HN 0.927 nan 8.180 nan 0.000 0.538 188 T N -2.076 112.518 114.554 0.067 0.000 3.055 188 T HA 0.150 3.999 4.350 -0.835 0.000 0.265 188 T C 1.407 176.102 174.700 -0.007 0.000 1.111 188 T CA 0.582 62.706 62.100 0.040 0.000 1.118 188 T CB -0.550 68.342 68.868 0.041 0.000 0.909 188 T HN 0.023 nan 8.240 nan 0.000 0.501 189 G N 1.385 110.149 108.800 -0.060 0.000 2.138 189 G HA2 0.274 3.733 3.960 -0.835 0.000 0.244 189 G HA3 0.274 3.733 3.960 -0.835 0.000 0.244 189 G C -0.560 174.276 174.900 -0.107 0.000 1.166 189 G CA -0.286 44.755 45.100 -0.100 0.000 0.902 189 G HN 0.670 nan 8.290 nan 0.000 0.460 190 K N 1.829 122.137 120.400 -0.153 0.000 2.535 190 K HA 0.219 4.038 4.320 -0.835 0.000 0.251 190 K C -0.141 176.320 176.600 -0.232 0.000 0.942 190 K CA -0.750 55.449 56.287 -0.146 0.000 0.798 190 K CB 1.733 34.188 32.500 -0.075 0.000 1.267 190 K HN 0.640 nan 8.250 nan 0.000 0.434 191 E N 3.560 123.639 120.200 -0.200 0.000 2.452 191 E HA -0.134 3.715 4.350 -0.835 0.000 0.261 191 E C -0.316 176.206 176.600 -0.130 0.000 0.987 191 E CA 0.889 57.171 56.400 -0.198 0.000 0.926 191 E CB 0.156 29.776 29.700 -0.133 0.000 0.934 191 E HN 0.809 nan 8.360 nan 0.000 0.452 192 N N 1.480 120.124 118.700 -0.095 0.000 2.815 192 N HA -0.260 3.979 4.740 -0.835 0.000 0.247 192 N C 0.229 175.831 175.510 0.154 0.000 1.030 192 N CA 0.649 53.771 53.050 0.120 0.000 0.881 192 N CB -0.406 38.141 38.487 0.100 0.000 1.134 192 N HN 0.334 nan 8.380 nan 0.000 0.582 193 V N -0.876 119.043 119.914 0.010 0.000 3.141 193 V HA 0.274 3.893 4.120 -0.835 0.000 0.225 193 V C 0.079 176.274 176.094 0.169 0.000 1.352 193 V CA 0.471 62.843 62.300 0.119 0.000 1.316 193 V CB 0.862 32.716 31.823 0.052 0.000 1.126 193 V HN 0.087 nan 8.190 nan 0.000 0.493 194 I N 0.841 121.386 120.570 -0.041 0.000 2.466 194 I HA 0.482 4.151 4.170 -0.835 0.000 0.289 194 I C -1.573 174.492 176.117 -0.086 0.000 1.026 194 I CA -0.705 60.641 61.300 0.077 0.000 1.078 194 I CB 1.387 39.416 38.000 0.049 0.000 1.249 194 I HN 0.175 nan 8.210 nan 0.000 0.429 195 Y N 4.431 124.825 120.300 0.157 0.000 2.328 195 Y HA 0.433 4.481 4.550 -0.836 0.000 0.336 195 Y C 0.322 176.280 175.900 0.097 0.000 0.960 195 Y CA -0.922 57.275 58.100 0.161 0.000 1.134 195 Y CB 1.214 39.863 38.460 0.316 0.000 1.166 195 Y HN 0.394 nan 8.280 nan 0.000 0.464 196 N N 2.200 120.960 118.700 0.099 0.000 2.476 196 N HA 0.392 4.631 4.740 -0.835 0.000 0.257 196 N C 0.785 176.240 175.510 -0.092 0.000 0.970 196 N CA 0.406 53.438 53.050 -0.029 0.000 0.938 196 N CB 1.833 40.177 38.487 -0.237 0.000 1.144 196 N HN 0.986 nan 8.380 nan 0.000 0.500 197 G N 0.555 109.337 108.800 -0.029 0.000 2.217 197 G HA2 -0.268 3.191 3.960 -0.835 0.000 0.246 197 G HA3 -0.268 3.191 3.960 -0.835 0.000 0.246 197 G C -0.056 174.742 174.900 -0.169 0.000 0.990 197 G CA 0.539 45.567 45.100 -0.120 0.000 0.627 197 G HN 0.702 nan 8.290 nan 0.000 0.522 198 V N -1.563 118.307 119.914 -0.073 0.000 3.007 198 V HA 0.913 4.532 4.120 -0.835 0.000 0.311 198 V C 0.268 176.447 176.094 0.141 0.000 1.120 198 V CA -0.031 62.104 62.300 -0.275 0.000 0.980 198 V CB 1.428 32.719 31.823 -0.886 0.000 1.033 198 V HN 1.095 nan 8.190 nan 0.000 0.429 199 T N 0.360 114.937 114.554 0.038 0.000 2.882 199 T HA 0.469 4.318 4.350 -0.835 0.000 0.287 199 T C -0.027 174.495 174.700 -0.296 0.000 1.014 199 T CA -0.117 61.824 62.100 -0.264 0.000 1.049 199 T CB 1.039 69.767 68.868 -0.234 0.000 1.001 199 T HN 1.055 nan 8.240 nan 0.000 0.525 200 D N 0.263 120.176 120.400 -0.812 0.000 2.403 200 D HA 0.020 4.159 4.640 -0.835 0.000 0.278 200 D C 0.996 177.188 176.300 -0.180 0.000 1.230 200 D CA -0.952 52.603 54.000 -0.741 0.000 1.062 200 D CB -0.088 40.170 40.800 -0.902 0.000 1.119 200 D HN 0.674 nan 8.370 nan 0.000 0.557 201 W N -0.418 120.807 121.300 -0.126 0.000 2.354 201 W HA -0.142 4.024 4.660 -0.824 0.000 0.315 201 W C 2.216 178.610 176.519 -0.208 0.000 1.206 201 W CA 1.835 59.118 57.345 -0.102 0.000 1.290 201 W CB -0.434 28.923 29.460 -0.171 0.000 1.152 201 W HN 0.147 nan 8.180 nan 0.000 0.489 202 V N -0.105 119.840 119.914 0.052 0.000 2.515 202 V HA -0.276 3.343 4.120 -0.835 0.000 0.250 202 V C 1.729 177.609 176.094 -0.356 0.000 1.058 202 V CA 1.781 64.004 62.300 -0.129 0.000 1.064 202 V CB -0.667 31.098 31.823 -0.097 0.000 0.675 202 V HN 0.272 nan 8.190 nan 0.000 0.461 203 Y N 0.207 120.210 120.300 -0.495 0.000 2.457 203 Y HA -0.047 4.002 4.550 -0.836 0.000 0.292 203 Y C 2.516 178.107 175.900 -0.515 0.000 1.125 203 Y CA 1.698 59.412 58.100 -0.644 0.000 1.254 203 Y CB 0.159 38.008 38.460 -1.018 0.000 1.012 203 Y HN 0.363 nan 8.280 nan 0.000 0.555 204 E N 0.041 120.078 120.200 -0.273 0.000 2.086 204 E HA -0.197 3.653 4.350 -0.835 0.000 0.190 204 E C 1.812 178.302 176.600 -0.183 0.000 0.975 204 E CA 1.019 57.330 56.400 -0.149 0.000 0.813 204 E CB 0.194 29.834 29.700 -0.100 0.000 0.768 204 E HN 0.308 nan 8.360 nan 0.000 0.457 205 E N 0.420 120.321 120.200 -0.499 0.000 2.076 205 E HA -0.116 3.733 4.350 -0.835 0.000 0.190 205 E C 1.433 177.891 176.600 -0.236 0.000 0.979 205 E CA 1.261 57.358 56.400 -0.505 0.000 0.807 205 E CB 0.284 29.250 29.700 -1.224 0.000 0.761 205 E HN 0.176 nan 8.360 nan 0.000 0.454 206 E N -1.028 119.011 120.200 -0.268 0.000 2.465 206 E HA 0.119 3.968 4.350 -0.835 0.000 0.209 206 E C 1.564 178.038 176.600 -0.210 0.000 0.951 206 E CA 0.363 56.667 56.400 -0.160 0.000 0.997 206 E CB 1.141 30.745 29.700 -0.160 0.000 1.025 206 E HN 0.171 nan 8.360 nan 0.000 0.500 207 V N -0.378 119.336 119.914 -0.333 0.000 3.212 207 V HA 0.111 3.731 4.120 -0.835 0.000 0.244 207 V C 1.231 177.375 176.094 0.082 0.000 1.151 207 V CA 0.677 62.784 62.300 -0.322 0.000 1.119 207 V CB 0.008 31.348 31.823 -0.805 0.000 0.838 207 V HN 0.040 nan 8.190 nan 0.000 0.470 208 F N -0.094 119.838 119.950 -0.031 0.000 2.778 208 F HA 0.360 4.387 4.527 -0.833 0.000 0.314 208 F C 1.596 177.339 175.800 -0.094 0.000 1.073 208 F CA -0.141 57.861 58.000 0.003 0.000 1.218 208 F CB -0.266 38.779 39.000 0.075 0.000 1.037 208 F HN 0.128 nan 8.300 nan 0.000 0.594 209 S N 0.174 115.888 115.700 0.023 0.000 3.476 209 S HA 0.002 3.972 4.470 -0.835 0.000 0.309 209 S C 0.189 174.305 174.600 -0.806 0.000 1.222 209 S CA 0.569 58.613 58.200 -0.260 0.000 0.922 209 S CB -1.874 61.245 63.200 -0.135 0.000 1.023 209 S HN 0.682 nan 8.310 nan 0.000 0.591 210 A N -0.767 121.857 122.820 -0.327 0.000 2.606 210 A HA 0.754 4.573 4.320 -0.835 0.000 0.293 210 A C -0.098 177.491 177.584 0.007 0.000 1.082 210 A CA -0.464 51.419 52.037 -0.256 0.000 0.685 210 A CB 0.339 19.227 19.000 -0.185 0.000 1.284 210 A HN 0.231 nan 8.150 nan 0.000 0.408 211 Y N 1.476 121.642 120.300 -0.222 0.000 2.263 211 Y HA 0.065 4.116 4.550 -0.832 0.000 0.292 211 Y C 1.798 177.494 175.900 -0.340 0.000 1.130 211 Y CA 1.281 59.248 58.100 -0.221 0.000 1.179 211 Y CB -0.181 38.141 38.460 -0.230 0.000 0.998 211 Y HN 0.743 nan 8.280 nan 0.000 0.532 212 S N 0.538 115.812 115.700 -0.711 0.000 2.568 212 S HA 0.391 4.361 4.470 -0.835 0.000 0.282 212 S C 0.184 174.506 174.600 -0.463 0.000 1.338 212 S CA 0.112 57.724 58.200 -0.980 0.000 1.045 212 S CB 0.649 62.914 63.200 -1.558 0.000 0.873 212 S HN 0.474 nan 8.310 nan 0.000 0.516 213 A N 4.727 127.202 122.820 -0.575 0.000 3.165 213 A HA 0.512 4.331 4.320 -0.835 0.000 0.212 213 A C -0.659 176.234 177.584 -1.151 0.000 0.935 213 A CA -0.494 51.179 52.037 -0.607 0.000 1.100 213 A CB -0.034 19.071 19.000 0.175 0.000 1.260 213 A HN 0.750 nan 8.150 nan 0.000 0.532 214 L N 0.874 121.208 121.223 -1.481 0.000 2.409 214 L HA 0.613 4.452 4.340 -0.835 0.000 0.272 214 L C -1.437 174.821 176.870 -1.021 0.000 0.980 214 L CA -0.461 53.834 54.840 -0.908 0.000 0.826 214 L CB 1.791 43.635 42.059 -0.359 0.000 1.268 214 L HN 0.499 nan 8.230 nan 0.000 0.407 215 W N 3.379 124.768 121.300 0.149 0.000 2.631 215 W HA 0.225 4.384 4.660 -0.835 0.000 0.321 215 W C -0.892 175.927 176.519 0.499 0.000 1.004 215 W CA -1.155 56.396 57.345 0.344 0.000 1.291 215 W CB 1.148 30.824 29.460 0.360 0.000 1.300 215 W HN 0.471 nan 8.180 nan 0.000 0.422 216 W N 2.271 123.817 121.300 0.411 0.000 2.150 216 W HA 0.225 4.384 4.660 -0.834 0.000 0.341 216 W C 1.338 177.741 176.519 -0.194 0.000 1.276 216 W CA 0.263 57.713 57.345 0.175 0.000 1.238 216 W CB 0.827 30.348 29.460 0.101 0.000 1.128 216 W HN 0.194 nan 8.180 nan 0.000 0.581 217 S N 1.729 117.262 115.700 -0.278 0.000 2.614 217 S HA 0.189 4.158 4.470 -0.835 0.000 0.265 217 S C -1.837 172.508 174.600 -0.425 0.000 1.303 217 S CA -1.048 56.449 58.200 -1.171 0.000 1.000 217 S CB 1.084 63.824 63.200 -0.766 0.000 0.935 217 S HN 0.274 nan 8.310 nan 0.000 0.551 218 P HA -0.104 nan 4.420 nan 0.000 0.217 218 P C 0.747 178.006 177.300 -0.068 0.000 1.148 218 P CA 1.309 64.362 63.100 -0.079 0.000 0.834 218 P CB -0.033 31.665 31.700 -0.003 0.000 0.783 219 N N -2.424 116.219 118.700 -0.094 0.000 2.187 219 N HA 0.091 4.330 4.740 -0.835 0.000 0.212 219 N C 0.712 176.139 175.510 -0.138 0.000 1.152 219 N CA 0.593 53.589 53.050 -0.090 0.000 0.872 219 N CB 0.384 38.837 38.487 -0.055 0.000 1.025 219 N HN 0.031 nan 8.380 nan 0.000 0.514 220 G N 0.537 109.248 108.800 -0.148 0.000 2.143 220 G HA2 -0.284 3.175 3.960 -0.835 0.000 0.249 220 G HA3 -0.284 3.175 3.960 -0.835 0.000 0.249 220 G C 0.912 175.791 174.900 -0.034 0.000 0.981 220 G CA 0.992 45.977 45.100 -0.191 0.000 0.665 220 G HN 0.343 nan 8.290 nan 0.000 0.528 221 T N -0.028 114.477 114.554 -0.081 0.000 2.698 221 T HA 0.247 4.096 4.350 -0.835 0.000 0.260 221 T C 0.962 175.479 174.700 -0.304 0.000 1.044 221 T CA 1.255 63.194 62.100 -0.268 0.000 1.149 221 T CB -0.065 68.527 68.868 -0.460 0.000 0.864 221 T HN 0.293 nan 8.240 nan 0.000 0.419 222 F N 0.477 120.475 119.950 0.079 0.000 2.399 222 F HA 0.633 4.659 4.527 -0.835 0.000 0.328 222 F C -0.205 175.741 175.800 0.243 0.000 1.084 222 F CA -1.436 56.671 58.000 0.178 0.000 1.053 222 F CB 1.014 40.160 39.000 0.244 0.000 1.209 222 F HN -0.062 nan 8.300 nan 0.000 0.502 223 L N 2.476 123.921 121.223 0.369 0.000 2.406 223 L HA 0.802 4.641 4.340 -0.835 0.000 0.270 223 L C -0.857 176.146 176.870 0.221 0.000 0.982 223 L CA -0.357 54.529 54.840 0.076 0.000 0.843 223 L CB 0.974 42.801 42.059 -0.387 0.000 1.225 223 L HN 0.676 nan 8.230 nan 0.000 0.412 224 A N 4.428 127.456 122.820 0.347 0.000 2.312 224 A HA 0.809 4.628 4.320 -0.835 0.000 0.328 224 A C -1.391 176.296 177.584 0.172 0.000 1.158 224 A CA -0.285 51.864 52.037 0.188 0.000 0.821 224 A CB 0.690 19.873 19.000 0.305 0.000 1.170 224 A HN 0.895 nan 8.150 nan 0.000 0.490 225 Y N -1.428 118.771 120.300 -0.169 0.000 2.625 225 Y HA 0.790 4.839 4.550 -0.835 0.000 0.338 225 Y C -0.326 175.517 175.900 -0.094 0.000 1.123 225 Y CA -1.012 57.014 58.100 -0.124 0.000 1.046 225 Y CB 0.990 39.337 38.460 -0.189 0.000 1.299 225 Y HN 0.909 nan 8.280 nan 0.000 0.464 226 A N 1.892 124.793 122.820 0.136 0.000 2.325 226 A HA 0.662 4.481 4.320 -0.835 0.000 0.333 226 A C -1.199 176.269 177.584 -0.193 0.000 1.155 226 A CA -0.846 51.146 52.037 -0.076 0.000 0.814 226 A CB 1.662 20.624 19.000 -0.064 0.000 1.206 226 A HN 0.826 nan 8.150 nan 0.000 0.482 227 Q N 1.125 120.742 119.800 -0.305 0.000 2.330 227 Q HA 0.626 4.465 4.340 -0.835 0.000 0.269 227 Q C -2.014 173.729 176.000 -0.429 0.000 1.022 227 Q CA -0.401 55.323 55.803 -0.132 0.000 0.796 227 Q CB 1.013 29.919 28.738 0.279 0.000 1.271 227 Q HN 0.583 nan 8.270 nan 0.000 0.450 228 F N 2.220 122.270 119.950 0.168 0.000 2.480 228 F HA 0.431 4.459 4.527 -0.832 0.000 0.329 228 F C 0.360 176.285 175.800 0.208 0.000 1.091 228 F CA -0.938 57.116 58.000 0.089 0.000 0.972 228 F CB 1.484 40.429 39.000 -0.091 0.000 1.150 228 F HN 0.456 nan 8.300 nan 0.000 0.467 229 N N 1.991 120.890 118.700 0.331 0.000 2.524 229 N HA 0.188 4.428 4.740 -0.835 0.000 0.261 229 N C -0.693 174.962 175.510 0.242 0.000 0.998 229 N CA -0.238 52.972 53.050 0.266 0.000 0.915 229 N CB 0.960 39.554 38.487 0.178 0.000 1.187 229 N HN 0.529 nan 8.380 nan 0.000 0.507 230 D N 1.694 122.262 120.400 0.281 0.000 2.342 230 D HA 0.075 4.214 4.640 -0.835 0.000 0.221 230 D C 1.224 177.626 176.300 0.170 0.000 1.101 230 D CA 0.244 54.380 54.000 0.226 0.000 0.837 230 D CB 0.399 41.373 40.800 0.291 0.000 0.938 230 D HN 0.486 nan 8.370 nan 0.000 0.508 231 T N 0.636 115.278 114.554 0.147 0.000 2.680 231 T HA -0.197 3.652 4.350 -0.835 0.000 0.268 231 T C 1.318 176.068 174.700 0.083 0.000 1.033 231 T CA 1.325 63.487 62.100 0.105 0.000 1.152 231 T CB 0.033 68.953 68.868 0.087 0.000 0.859 231 T HN 0.328 nan 8.240 nan 0.000 0.452 232 E N 0.214 120.461 120.200 0.079 0.000 2.476 232 E HA 0.156 4.006 4.350 -0.835 0.000 0.196 232 E C -0.376 176.263 176.600 0.064 0.000 1.029 232 E CA -0.197 56.239 56.400 0.061 0.000 0.896 232 E CB 0.641 30.370 29.700 0.048 0.000 1.012 232 E HN 0.217 nan 8.360 nan 0.000 0.475 233 V N 3.723 123.687 119.914 0.083 0.000 2.508 233 V HA 0.102 3.721 4.120 -0.835 0.000 0.281 233 V C -2.027 174.117 176.094 0.083 0.000 1.041 233 V CA -1.499 60.854 62.300 0.088 0.000 1.016 233 V CB 0.463 32.352 31.823 0.109 0.000 0.984 233 V HN 0.031 nan 8.190 nan 0.000 0.478 234 P HA 0.187 nan 4.420 nan 0.000 0.269 234 P C -0.668 176.670 177.300 0.063 0.000 1.215 234 P CA -0.174 62.963 63.100 0.062 0.000 0.780 234 P CB 0.475 32.211 31.700 0.060 0.000 0.898 235 L N 2.562 123.802 121.223 0.029 0.000 2.275 235 L HA 0.416 4.255 4.340 -0.835 0.000 0.288 235 L C 0.337 177.173 176.870 -0.056 0.000 1.046 235 L CA -0.938 53.903 54.840 0.000 0.000 0.805 235 L CB 0.948 42.999 42.059 -0.013 0.000 1.193 235 L HN 0.314 nan 8.230 nan 0.000 0.426 236 I N 3.247 123.747 120.570 -0.116 0.000 2.365 236 I HA 0.257 3.926 4.170 -0.835 0.000 0.291 236 I C -0.328 175.638 176.117 -0.250 0.000 1.004 236 I CA 0.278 61.432 61.300 -0.244 0.000 1.311 236 I CB 0.843 38.521 38.000 -0.537 0.000 1.401 236 I HN 0.571 nan 8.210 nan 0.000 0.491 237 E N 7.376 127.451 120.200 -0.209 0.000 2.293 237 E HA 0.538 4.387 4.350 -0.835 0.000 0.270 237 E C -1.770 174.749 176.600 -0.135 0.000 0.879 237 E CA -0.641 55.612 56.400 -0.244 0.000 0.756 237 E CB 2.196 31.797 29.700 -0.166 0.000 1.208 237 E HN 0.598 nan 8.360 nan 0.000 0.428 238 Y N -1.984 118.216 120.300 -0.167 0.000 2.638 238 Y HA 0.561 4.599 4.550 -0.854 0.000 0.335 238 Y C -0.707 175.096 175.900 -0.161 0.000 1.155 238 Y CA -1.270 56.731 58.100 -0.165 0.000 1.046 238 Y CB 0.933 39.286 38.460 -0.179 0.000 1.303 238 Y HN 0.231 nan 8.280 nan 0.000 0.460 239 S N 1.546 117.231 115.700 -0.025 0.000 2.565 239 S HA 0.471 4.440 4.470 -0.835 0.000 0.274 239 S C -1.462 172.933 174.600 -0.342 0.000 1.309 239 S CA -0.418 57.605 58.200 -0.297 0.000 1.043 239 S CB 0.436 63.278 63.200 -0.597 0.000 0.939 239 S HN 0.524 nan 8.310 nan 0.000 0.504 240 F N 2.713 122.392 119.950 -0.451 0.000 2.445 240 F HA 0.409 4.444 4.527 -0.820 0.000 0.348 240 F C -0.222 175.342 175.800 -0.393 0.000 1.125 240 F CA -0.881 56.945 58.000 -0.290 0.000 0.983 240 F CB 0.639 39.594 39.000 -0.075 0.000 1.198 240 F HN 0.671 nan 8.300 nan 0.000 0.436 241 Y N 2.808 122.833 120.300 -0.459 0.000 2.475 241 Y HA 0.070 4.033 4.550 -0.978 0.000 0.289 241 Y C 1.776 177.598 175.900 -0.131 0.000 1.121 241 Y CA 1.099 59.063 58.100 -0.228 0.000 1.257 241 Y CB -0.586 37.736 38.460 -0.230 0.000 1.026 241 Y HN 0.742 nan 8.280 nan 0.000 0.555 242 S N -0.089 115.510 115.700 -0.168 0.000 3.443 242 S HA -0.288 3.682 4.470 -0.835 0.000 0.635 242 S C -0.133 174.542 174.600 0.126 0.000 2.555 242 S CA 0.314 58.634 58.200 0.200 0.000 2.778 242 S CB -1.311 62.108 63.200 0.365 0.000 0.331 242 S HN 0.624 nan 8.310 nan 0.000 1.765 243 D N 1.259 121.754 120.400 0.158 0.000 2.455 243 D HA 0.079 4.218 4.640 -0.835 0.000 0.241 243 D C 1.432 177.777 176.300 0.076 0.000 1.138 243 D CA 0.760 54.822 54.000 0.105 0.000 0.877 243 D CB 0.824 41.686 40.800 0.103 0.000 1.187 243 D HN 0.638 nan 8.370 nan 0.000 0.451 244 E N 1.935 122.165 120.200 0.051 0.000 2.236 244 E HA -0.313 3.536 4.350 -0.835 0.000 0.205 244 E C 1.486 178.104 176.600 0.030 0.000 1.028 244 E CA 1.842 58.261 56.400 0.031 0.000 0.827 244 E CB 0.060 29.772 29.700 0.020 0.000 0.735 244 E HN 0.537 nan 8.360 nan 0.000 0.470 245 S N -0.170 115.555 115.700 0.042 0.000 2.522 245 S HA -0.003 3.966 4.470 -0.835 0.000 0.227 245 S C 1.049 175.679 174.600 0.049 0.000 0.986 245 S CA -0.218 58.005 58.200 0.039 0.000 0.929 245 S CB -0.101 63.124 63.200 0.041 0.000 0.769 245 S HN 0.298 nan 8.310 nan 0.000 0.529 246 L N 2.430 123.692 121.223 0.065 0.000 2.433 246 L HA 0.154 3.993 4.340 -0.835 0.000 0.275 246 L C 1.490 178.400 176.870 0.067 0.000 1.128 246 L CA -0.012 54.879 54.840 0.085 0.000 0.875 246 L CB 0.858 42.983 42.059 0.111 0.000 1.171 246 L HN 0.370 nan 8.230 nan 0.000 0.463 247 Q N 3.844 123.691 119.800 0.079 0.000 2.230 247 Q HA -0.064 3.775 4.340 -0.835 0.000 0.202 247 Q C -0.852 175.072 176.000 -0.126 0.000 0.963 247 Q CA 1.148 56.947 55.803 -0.006 0.000 0.866 247 Q CB 0.267 29.029 28.738 0.040 0.000 0.931 247 Q HN 0.618 nan 8.270 nan 0.000 0.452 248 Y N -0.219 120.099 120.300 0.030 0.000 2.442 248 Y HA 0.387 4.434 4.550 -0.839 0.000 0.344 248 Y C -2.199 173.718 175.900 0.028 0.000 0.976 248 Y CA -2.985 55.130 58.100 0.025 0.000 1.040 248 Y CB 1.585 40.051 38.460 0.010 0.000 1.228 248 Y HN 0.042 nan 8.280 nan 0.000 0.451 249 P HA 0.168 nan 4.420 nan 0.000 0.272 249 P C -0.891 176.429 177.300 0.033 0.000 1.223 249 P CA -0.549 62.579 63.100 0.046 0.000 0.784 249 P CB 0.867 32.547 31.700 -0.033 0.000 0.923 250 K N 0.472 120.878 120.400 0.009 0.000 2.118 250 K HA 0.518 4.337 4.320 -0.835 0.000 0.254 250 K C -0.459 176.109 176.600 -0.053 0.000 0.961 250 K CA -0.306 55.987 56.287 0.009 0.000 0.876 250 K CB 0.752 33.283 32.500 0.052 0.000 1.077 250 K HN 0.295 nan 8.250 nan 0.000 0.440 251 T N 1.750 116.258 114.554 -0.077 0.000 2.770 251 T HA 0.276 4.125 4.350 -0.835 0.000 0.297 251 T C -0.636 173.951 174.700 -0.187 0.000 0.997 251 T CA -0.661 61.358 62.100 -0.135 0.000 0.949 251 T CB 0.727 69.524 68.868 -0.118 0.000 0.941 251 T HN 0.167 nan 8.240 nan 0.000 0.457 252 V N 5.288 125.013 119.914 -0.314 0.000 2.614 252 V HA 0.334 3.953 4.120 -0.835 0.000 0.291 252 V C 0.532 176.354 176.094 -0.454 0.000 1.049 252 V CA -0.169 61.890 62.300 -0.402 0.000 1.038 252 V CB 0.667 32.137 31.823 -0.590 0.000 0.980 252 V HN 0.703 nan 8.190 nan 0.000 0.481 253 R N 5.247 125.600 120.500 -0.245 0.000 2.513 253 R HA 0.726 4.565 4.340 -0.835 0.000 0.301 253 R C -1.292 174.972 176.300 -0.060 0.000 0.968 253 R CA -0.501 55.498 56.100 -0.168 0.000 0.872 253 R CB 1.900 32.143 30.300 -0.094 0.000 1.177 253 R HN 0.603 nan 8.270 nan 0.000 0.444 254 I N 3.375 123.906 120.570 -0.064 0.000 2.569 254 I HA 0.336 4.005 4.170 -0.835 0.000 0.290 254 I C -2.447 173.713 176.117 0.071 0.000 1.088 254 I CA -2.672 58.660 61.300 0.053 0.000 1.047 254 I CB 2.802 40.787 38.000 -0.024 0.000 1.237 254 I HN 0.250 nan 8.210 nan 0.000 0.421 255 P HA 0.069 nan 4.420 nan 0.000 0.269 255 P C -1.471 175.932 177.300 0.172 0.000 1.252 255 P CA 0.244 63.440 63.100 0.159 0.000 0.780 255 P CB -0.083 31.741 31.700 0.207 0.000 0.829 256 Y N 6.805 127.083 120.300 -0.036 0.000 2.333 256 Y HA 0.388 4.446 4.550 -0.819 0.000 0.324 256 Y C -2.674 173.201 175.900 -0.043 0.000 1.033 256 Y CA -3.050 54.991 58.100 -0.099 0.000 1.224 256 Y CB 1.709 40.014 38.460 -0.259 0.000 1.120 256 Y HN 0.285 nan 8.280 nan 0.000 0.457 257 P HA 0.237 nan 4.420 nan 0.000 0.287 257 P C -1.044 176.322 177.300 0.110 0.000 1.294 257 P CA -0.188 62.964 63.100 0.086 0.000 0.776 257 P CB 1.435 33.156 31.700 0.035 0.000 0.889 258 K N 1.997 122.519 120.400 0.203 0.000 2.090 258 K HA 0.540 4.359 4.320 -0.835 0.000 0.249 258 K C 0.363 177.049 176.600 0.143 0.000 0.995 258 K CA -0.851 55.563 56.287 0.212 0.000 0.914 258 K CB 0.957 33.585 32.500 0.213 0.000 1.057 258 K HN 0.463 nan 8.250 nan 0.000 0.462 259 A N 0.902 123.828 122.820 0.178 0.000 2.600 259 A HA 0.146 3.966 4.320 -0.835 0.000 0.253 259 A C 1.239 178.861 177.584 0.063 0.000 0.997 259 A CA 1.300 53.437 52.037 0.166 0.000 0.820 259 A CB -1.310 17.861 19.000 0.285 0.000 0.888 259 A HN 0.964 nan 8.150 nan 0.000 0.508 260 G N 0.871 109.701 108.800 0.049 0.000 2.184 260 G HA2 0.109 3.568 3.960 -0.835 0.000 0.264 260 G HA3 0.109 3.568 3.960 -0.835 0.000 0.264 260 G C 0.616 175.523 174.900 0.012 0.000 0.975 260 G CA 0.961 46.064 45.100 0.005 0.000 0.642 260 G HN 2.304 nan 8.290 nan 0.000 0.536 261 A N -0.434 122.408 122.820 0.037 0.000 2.252 261 A HA 0.751 4.570 4.320 -0.835 0.000 0.305 261 A C 0.415 178.021 177.584 0.038 0.000 1.097 261 A CA 0.163 52.224 52.037 0.040 0.000 0.849 261 A CB 0.544 19.581 19.000 0.063 0.000 1.142 261 A HN 0.535 nan 8.150 nan 0.000 0.499 262 E N 0.992 121.214 120.200 0.036 0.000 2.493 262 E HA 0.050 3.900 4.350 -0.835 0.000 0.255 262 E C -0.347 176.282 176.600 0.047 0.000 0.999 262 E CA 0.518 56.937 56.400 0.032 0.000 0.934 262 E CB -0.040 29.681 29.700 0.034 0.000 0.940 262 E HN 0.527 nan 8.360 nan 0.000 0.473 263 N N 4.399 123.122 118.700 0.037 0.000 2.489 263 N HA 0.399 4.638 4.740 -0.835 0.000 0.284 263 N C -2.475 173.087 175.510 0.087 0.000 1.158 263 N CA -1.723 51.366 53.050 0.065 0.000 0.965 263 N CB 0.731 39.246 38.487 0.047 0.000 1.195 263 N HN 0.345 nan 8.380 nan 0.000 0.506 264 P HA 0.081 nan 4.420 nan 0.000 0.271 264 P C -0.369 177.043 177.300 0.186 0.000 1.218 264 P CA -0.108 63.098 63.100 0.177 0.000 0.780 264 P CB 0.338 32.160 31.700 0.203 0.000 0.901 265 T N -0.562 114.083 114.554 0.152 0.000 2.881 265 T HA 0.543 4.392 4.350 -0.835 0.000 0.278 265 T C -0.027 174.776 174.700 0.172 0.000 0.982 265 T CA -0.771 61.387 62.100 0.097 0.000 0.989 265 T CB 1.385 70.283 68.868 0.050 0.000 1.058 265 T HN 0.331 nan 8.240 nan 0.000 0.529 266 V N 0.053 120.049 119.914 0.137 0.000 3.007 266 V HA 0.733 4.352 4.120 -0.835 0.000 0.311 266 V C -1.579 174.589 176.094 0.123 0.000 1.120 266 V CA -0.919 61.465 62.300 0.140 0.000 0.980 266 V CB 2.152 34.143 31.823 0.281 0.000 1.033 266 V HN 1.009 nan 8.190 nan 0.000 0.429 267 K N 4.338 124.736 120.400 -0.003 0.000 2.464 267 K HA 0.518 4.337 4.320 -0.835 0.000 0.253 267 K C -1.921 174.535 176.600 -0.241 0.000 0.933 267 K CA -0.448 55.763 56.287 -0.126 0.000 0.801 267 K CB 2.733 35.089 32.500 -0.240 0.000 1.271 267 K HN 0.543 nan 8.250 nan 0.000 0.430 268 F N 2.559 122.218 119.950 -0.485 0.000 2.480 268 F HA 0.587 4.613 4.527 -0.835 0.000 0.329 268 F C -1.324 173.983 175.800 -0.821 0.000 1.091 268 F CA -0.718 56.994 58.000 -0.481 0.000 0.972 268 F CB 0.812 39.671 39.000 -0.235 0.000 1.150 268 F HN 0.386 nan 8.300 nan 0.000 0.467 269 F N 4.108 123.340 119.950 -1.197 0.000 2.578 269 F HA 0.625 4.651 4.527 -0.835 0.000 0.311 269 F C -1.014 174.284 175.800 -0.837 0.000 1.094 269 F CA -1.162 56.309 58.000 -0.883 0.000 0.923 269 F CB 2.130 40.503 39.000 -1.044 0.000 1.230 269 F HN 0.066 nan 8.300 nan 0.000 0.450 270 V N 3.853 123.692 119.914 -0.125 0.000 2.378 270 V HA 0.466 4.085 4.120 -0.835 0.000 0.288 270 V C -0.605 175.702 176.094 0.354 0.000 1.016 270 V CA -0.780 61.530 62.300 0.017 0.000 0.840 270 V CB 1.507 33.165 31.823 -0.274 0.000 0.994 270 V HN 0.513 nan 8.190 nan 0.000 0.431 271 V N 3.384 123.517 119.914 0.365 0.000 2.427 271 V HA 0.368 3.988 4.120 -0.835 0.000 0.286 271 V C -0.091 176.246 176.094 0.405 0.000 1.034 271 V CA -0.508 62.007 62.300 0.359 0.000 0.893 271 V CB 1.939 33.897 31.823 0.226 0.000 0.982 271 V HN 0.856 nan 8.190 nan 0.000 0.452 272 D N 3.322 123.925 120.400 0.337 0.000 2.393 272 D HA 0.115 4.254 4.640 -0.835 0.000 0.232 272 D C 1.381 177.696 176.300 0.024 0.000 1.192 272 D CA -0.002 54.052 54.000 0.090 0.000 0.882 272 D CB 1.544 42.437 40.800 0.154 0.000 1.038 272 D HN 0.743 nan 8.370 nan 0.000 0.499 273 T N 1.113 115.657 114.554 -0.016 0.000 3.113 273 T HA -0.029 3.820 4.350 -0.835 0.000 0.263 273 T C 1.691 176.396 174.700 0.007 0.000 1.143 273 T CA 0.384 62.510 62.100 0.043 0.000 1.090 273 T CB 0.044 69.003 68.868 0.150 0.000 0.922 273 T HN 0.287 nan 8.240 nan 0.000 0.521 274 R N 1.329 121.795 120.500 -0.055 0.000 2.081 274 R HA -0.059 3.781 4.340 -0.835 0.000 0.235 274 R C 2.711 179.010 176.300 -0.002 0.000 1.131 274 R CA 1.881 57.955 56.100 -0.044 0.000 0.960 274 R CB -0.644 29.609 30.300 -0.079 0.000 0.856 274 R HN 0.652 nan 8.270 nan 0.000 0.436 275 T N -1.376 113.188 114.554 0.017 0.000 3.107 275 T HA 0.178 4.028 4.350 -0.835 0.000 0.249 275 T C 0.710 175.432 174.700 0.037 0.000 1.096 275 T CA -0.193 61.926 62.100 0.032 0.000 1.012 275 T CB -0.072 68.824 68.868 0.048 0.000 0.977 275 T HN 0.007 nan 8.240 nan 0.000 0.527 276 L N 2.792 124.037 121.223 0.036 0.000 2.745 276 L HA 0.182 4.022 4.340 -0.835 0.000 0.273 276 L C 0.395 177.286 176.870 0.034 0.000 1.156 276 L CA 0.094 54.956 54.840 0.037 0.000 0.982 276 L CB -0.219 41.862 42.059 0.037 0.000 1.295 276 L HN 0.300 nan 8.230 nan 0.000 0.483 277 S N 4.801 120.522 115.700 0.036 0.000 2.548 277 S HA 0.480 4.449 4.470 -0.835 0.000 0.276 277 S C -1.629 172.995 174.600 0.040 0.000 1.129 277 S CA -1.266 56.954 58.200 0.034 0.000 0.931 277 S CB 1.976 65.194 63.200 0.030 0.000 1.068 277 S HN 0.354 nan 8.310 nan 0.000 0.480 278 P HA -0.090 nan 4.420 nan 0.000 0.219 278 P C 0.206 177.531 177.300 0.041 0.000 1.144 278 P CA 1.193 64.322 63.100 0.049 0.000 0.806 278 P CB -0.008 31.718 31.700 0.043 0.000 0.771 279 N N -0.655 118.063 118.700 0.029 0.000 2.275 279 N HA 0.312 4.551 4.740 -0.835 0.000 0.236 279 N C -0.044 175.476 175.510 0.017 0.000 1.154 279 N CA -0.050 53.011 53.050 0.019 0.000 0.866 279 N CB 0.717 39.212 38.487 0.015 0.000 1.093 279 N HN 0.121 nan 8.380 nan 0.000 0.515 280 A N -0.030 122.805 122.820 0.025 0.000 2.401 280 A HA 0.640 4.459 4.320 -0.835 0.000 0.310 280 A C 0.381 177.982 177.584 0.029 0.000 1.075 280 A CA -0.606 51.447 52.037 0.026 0.000 0.746 280 A CB 1.022 20.041 19.000 0.033 0.000 1.277 280 A HN 0.145 nan 8.150 nan 0.000 0.425 281 S N 0.580 116.295 115.700 0.024 0.000 2.596 281 S HA 0.455 4.424 4.470 -0.835 0.000 0.260 281 S C 0.162 174.792 174.600 0.050 0.000 1.336 281 S CA -0.368 57.847 58.200 0.025 0.000 0.993 281 S CB 0.547 63.759 63.200 0.020 0.000 0.923 281 S HN 0.988 nan 8.310 nan 0.000 0.567 282 V N 1.832 121.782 119.914 0.059 0.000 2.546 282 V HA 0.312 3.932 4.120 -0.835 0.000 0.284 282 V C 0.449 176.602 176.094 0.098 0.000 1.050 282 V CA -0.509 61.835 62.300 0.073 0.000 0.981 282 V CB 1.188 33.050 31.823 0.064 0.000 0.990 282 V HN 1.018 nan 8.190 nan 0.000 0.474 283 T N 4.280 118.909 114.554 0.126 0.000 2.738 283 T HA 0.521 4.370 4.350 -0.835 0.000 0.298 283 T C -0.044 174.804 174.700 0.247 0.000 0.962 283 T CA -0.327 61.882 62.100 0.180 0.000 0.972 283 T CB 0.537 69.517 68.868 0.186 0.000 0.928 283 T HN 0.918 nan 8.240 nan 0.000 0.474 284 S N 2.929 118.794 115.700 0.276 0.000 2.536 284 S HA 0.626 4.595 4.470 -0.835 0.000 0.271 284 S C -1.555 173.303 174.600 0.430 0.000 1.134 284 S CA -1.021 57.388 58.200 0.348 0.000 0.897 284 S CB 1.374 64.712 63.200 0.231 0.000 1.094 284 S HN 0.552 nan 8.310 nan 0.000 0.473 285 Y N 1.800 122.332 120.300 0.386 0.000 2.387 285 Y HA 0.543 4.592 4.550 -0.834 0.000 0.336 285 Y C -0.109 175.958 175.900 0.279 0.000 1.067 285 Y CA -0.579 57.743 58.100 0.370 0.000 1.114 285 Y CB 1.700 40.499 38.460 0.565 0.000 1.208 285 Y HN 0.883 nan 8.280 nan 0.000 0.458 286 Q N 6.335 125.880 119.800 -0.425 0.000 2.314 286 Q HA 0.468 4.307 4.340 -0.835 0.000 0.259 286 Q C -1.374 174.351 176.000 -0.458 0.000 0.951 286 Q CA -0.543 55.008 55.803 -0.419 0.000 0.909 286 Q CB 0.841 29.344 28.738 -0.393 0.000 1.236 286 Q HN 0.764 nan 8.270 nan 0.000 0.444 287 I N 4.747 125.227 120.570 -0.150 0.000 2.331 287 I HA 0.260 3.929 4.170 -0.835 0.000 0.292 287 I C 0.256 176.406 176.117 0.056 0.000 0.998 287 I CA -0.868 60.468 61.300 0.060 0.000 1.267 287 I CB 1.370 39.507 38.000 0.229 0.000 1.386 287 I HN 0.399 nan 8.210 nan 0.000 0.476 288 V N 5.104 125.001 119.914 -0.028 0.000 2.834 288 V HA 0.667 4.287 4.120 -0.835 0.000 0.313 288 V C -2.415 173.483 176.094 -0.326 0.000 1.060 288 V CA -2.009 60.186 62.300 -0.175 0.000 0.989 288 V CB 1.163 32.867 31.823 -0.197 0.000 1.041 288 V HN 0.546 nan 8.190 nan 0.000 0.459 289 P HA 0.397 nan 4.420 nan 0.000 0.274 289 P C -2.767 174.167 177.300 -0.610 0.000 1.237 289 P CA -1.442 60.894 63.100 -1.273 0.000 0.793 289 P CB -0.017 30.348 31.700 -2.226 0.000 0.977 290 P HA -0.058 nan 4.420 nan 0.000 0.271 290 P C 0.923 178.084 177.300 -0.232 0.000 1.233 290 P CA 0.247 63.226 63.100 -0.201 0.000 0.795 290 P CB 0.049 31.698 31.700 -0.084 0.000 0.936 291 A N 1.274 124.005 122.820 -0.148 0.000 1.933 291 A HA -0.192 3.628 4.320 -0.835 0.000 0.218 291 A C 2.120 179.611 177.584 -0.155 0.000 1.175 291 A CA 2.273 54.223 52.037 -0.145 0.000 0.628 291 A CB -1.819 17.125 19.000 -0.093 0.000 0.814 291 A HN 0.622 nan 8.150 nan 0.000 0.444 292 S N -0.731 114.897 115.700 -0.119 0.000 2.419 292 S HA -0.083 3.886 4.470 -0.835 0.000 0.233 292 S C 1.558 176.015 174.600 -0.239 0.000 1.016 292 S CA 1.471 59.580 58.200 -0.151 0.000 0.974 292 S CB -0.467 62.713 63.200 -0.034 0.000 0.786 292 S HN 0.258 nan 8.310 nan 0.000 0.492 293 V N 0.989 120.768 119.914 -0.224 0.000 2.795 293 V HA 0.227 3.846 4.120 -0.835 0.000 0.243 293 V C 2.180 178.054 176.094 -0.367 0.000 1.069 293 V CA 0.521 62.661 62.300 -0.266 0.000 1.089 293 V CB -0.439 31.218 31.823 -0.278 0.000 0.756 293 V HN 0.434 nan 8.190 nan 0.000 0.471 294 L N -0.116 120.845 121.223 -0.435 0.000 2.450 294 L HA -0.150 3.689 4.340 -0.835 0.000 0.224 294 L C 2.106 178.865 176.870 -0.185 0.000 1.149 294 L CA 1.311 55.919 54.840 -0.387 0.000 0.816 294 L CB -0.158 41.695 42.059 -0.343 0.000 0.932 294 L HN 0.370 nan 8.230 nan 0.000 0.449 295 I N -0.763 119.708 120.570 -0.165 0.000 2.058 295 I HA -0.169 3.500 4.170 -0.835 0.000 0.235 295 I C 1.569 177.644 176.117 -0.071 0.000 1.053 295 I CA 1.606 62.838 61.300 -0.114 0.000 1.313 295 I CB -0.065 37.858 38.000 -0.128 0.000 1.039 295 I HN 0.233 nan 8.210 nan 0.000 0.396 296 G N -1.138 107.627 108.800 -0.060 0.000 3.008 296 G HA2 0.213 3.672 3.960 -0.835 0.000 0.181 296 G HA3 0.213 3.672 3.960 -0.835 0.000 0.181 296 G C -1.137 173.778 174.900 0.024 0.000 1.309 296 G CA -0.395 44.686 45.100 -0.031 0.000 1.009 296 G HN 0.157 nan 8.290 nan 0.000 0.584 297 D N 0.636 121.011 120.400 -0.042 0.000 2.400 297 D HA 0.378 4.518 4.640 -0.835 0.000 0.238 297 D C 0.437 176.669 176.300 -0.113 0.000 1.157 297 D CA 0.659 54.580 54.000 -0.133 0.000 0.889 297 D CB 0.534 41.218 40.800 -0.193 0.000 1.199 297 D HN 0.560 nan 8.370 nan 0.000 0.436 298 H N -1.592 117.315 119.070 -0.273 0.000 2.902 298 H HA 0.409 4.465 4.556 -0.834 0.000 0.297 298 H C -1.401 173.736 175.328 -0.319 0.000 1.406 298 H CA -0.762 55.130 56.048 -0.259 0.000 1.134 298 H CB 0.295 30.024 29.762 -0.055 0.000 1.833 298 H HN 0.342 nan 8.280 nan 0.000 0.527 299 Y N -0.311 120.232 120.300 0.406 0.000 2.609 299 Y HA 0.500 4.549 4.550 -0.835 0.000 0.342 299 Y C -0.705 175.549 175.900 0.590 0.000 1.058 299 Y CA -1.142 57.191 58.100 0.389 0.000 1.055 299 Y CB 2.003 40.502 38.460 0.064 0.000 1.292 299 Y HN 0.505 nan 8.280 nan 0.000 0.476 300 L N 2.099 123.758 121.223 0.727 0.000 2.298 300 L HA 0.482 4.321 4.340 -0.835 0.000 0.284 300 L C 0.080 177.213 176.870 0.438 0.000 1.013 300 L CA -0.445 54.564 54.840 0.282 0.000 0.824 300 L CB 0.775 42.865 42.059 0.052 0.000 1.221 300 L HN 0.952 nan 8.230 nan 0.000 0.418 301 C N 1.528 120.965 119.300 0.228 0.000 3.038 301 C HA 0.869 4.828 4.460 -0.835 0.000 0.279 301 C C 0.779 175.865 174.990 0.159 0.000 1.276 301 C CA -0.039 59.166 59.018 0.311 0.000 1.697 301 C CB -1.003 26.829 27.740 0.153 0.000 2.032 301 C HN 0.914 nan 8.230 nan 0.000 0.636 302 G N -0.124 108.582 108.800 -0.157 0.000 2.655 302 G HA2 0.542 4.001 3.960 -0.835 0.000 0.296 302 G HA3 0.542 4.001 3.960 -0.835 0.000 0.296 302 G C -1.892 172.582 174.900 -0.710 0.000 1.485 302 G CA -0.175 44.684 45.100 -0.402 0.000 0.869 302 G HN 0.212 nan 8.290 nan 0.000 0.540 303 V N 0.917 120.307 119.914 -0.874 0.000 2.577 303 V HA 0.813 4.432 4.120 -0.835 0.000 0.303 303 V C -0.434 175.190 176.094 -0.784 0.000 1.042 303 V CA -0.597 61.022 62.300 -1.135 0.000 0.872 303 V CB 2.160 32.724 31.823 -2.098 0.000 0.998 303 V HN 0.927 nan 8.190 nan 0.000 0.423 304 T N 3.182 117.348 114.554 -0.648 0.000 3.050 304 T HA 0.321 4.171 4.350 -0.835 0.000 0.310 304 T C -0.919 173.545 174.700 -0.393 0.000 0.978 304 T CA -0.450 61.426 62.100 -0.372 0.000 1.013 304 T CB 0.684 69.431 68.868 -0.202 0.000 1.000 304 T HN 0.529 nan 8.240 nan 0.000 0.447 305 W N 2.491 123.687 121.300 -0.173 0.000 2.253 305 W HA 0.335 4.494 4.660 -0.835 0.000 0.322 305 W C 1.160 177.556 176.519 -0.206 0.000 1.342 305 W CA -0.315 56.945 57.345 -0.142 0.000 1.218 305 W CB 0.689 30.156 29.460 0.012 0.000 1.205 305 W HN 0.462 nan 8.180 nan 0.000 0.551 306 V N 1.909 121.796 119.914 -0.045 0.000 2.581 306 V HA 0.077 3.697 4.120 -0.835 0.000 0.240 306 V C 0.792 176.910 176.094 0.041 0.000 1.054 306 V CA 1.539 63.702 62.300 -0.230 0.000 1.076 306 V CB -0.104 31.358 31.823 -0.602 0.000 0.748 306 V HN 0.668 nan 8.190 nan 0.000 0.474 307 T N -4.584 110.065 114.554 0.159 0.000 2.821 307 T HA 0.312 4.161 4.350 -0.835 0.000 0.306 307 T C 0.328 175.176 174.700 0.246 0.000 1.313 307 T CA -0.537 61.665 62.100 0.170 0.000 1.012 307 T CB 1.919 70.868 68.868 0.134 0.000 1.298 307 T HN -0.081 nan 8.240 nan 0.000 0.502 308 E N 0.356 120.649 120.200 0.155 0.000 2.284 308 E HA -0.165 3.684 4.350 -0.835 0.000 0.200 308 E C 1.020 177.788 176.600 0.280 0.000 1.008 308 E CA 1.464 57.950 56.400 0.142 0.000 0.829 308 E CB 0.137 29.908 29.700 0.119 0.000 0.744 308 E HN 0.785 nan 8.360 nan 0.000 0.491 309 E N -0.581 119.790 120.200 0.284 0.000 2.601 309 E HA 0.105 3.954 4.350 -0.835 0.000 0.219 309 E C 0.213 177.051 176.600 0.397 0.000 0.964 309 E CA -0.169 56.392 56.400 0.267 0.000 1.050 309 E CB 0.784 30.581 29.700 0.162 0.000 1.068 309 E HN -0.121 nan 8.360 nan 0.000 0.496 310 R N 1.551 122.299 120.500 0.412 0.000 2.451 310 R HA 0.462 4.302 4.340 -0.835 0.000 0.307 310 R C -1.584 174.792 176.300 0.126 0.000 0.965 310 R CA -0.380 55.877 56.100 0.263 0.000 0.865 310 R CB 1.015 31.364 30.300 0.082 0.000 1.174 310 R HN 0.019 nan 8.270 nan 0.000 0.455 311 I N 2.696 123.211 120.570 -0.093 0.000 2.465 311 I HA 0.324 3.994 4.170 -0.835 0.000 0.291 311 I C -0.962 174.838 176.117 -0.528 0.000 1.014 311 I CA -0.397 60.557 61.300 -0.577 0.000 1.093 311 I CB 2.138 39.405 38.000 -1.221 0.000 1.267 311 I HN 0.609 nan 8.210 nan 0.000 0.431 312 S N 7.883 123.219 115.700 -0.607 0.000 2.422 312 S HA 0.563 4.532 4.470 -0.835 0.000 0.308 312 S C -0.706 173.558 174.600 -0.559 0.000 1.097 312 S CA -0.668 57.248 58.200 -0.473 0.000 1.099 312 S CB 0.257 63.242 63.200 -0.359 0.000 0.976 312 S HN 0.512 nan 8.310 nan 0.000 0.471 313 L N 4.612 125.526 121.223 -0.515 0.000 2.309 313 L HA 0.556 4.396 4.340 -0.835 0.000 0.282 313 L C 0.031 176.604 176.870 -0.496 0.000 1.036 313 L CA -0.583 53.841 54.840 -0.692 0.000 0.806 313 L CB 1.754 43.373 42.059 -0.734 0.000 1.220 313 L HN 0.627 nan 8.230 nan 0.000 0.429 314 Q N 2.563 121.999 119.800 -0.605 0.000 2.309 314 Q HA 0.374 4.213 4.340 -0.835 0.000 0.270 314 Q C -1.909 173.900 176.000 -0.318 0.000 1.023 314 Q CA -0.580 55.030 55.803 -0.322 0.000 0.758 314 Q CB 1.419 30.011 28.738 -0.242 0.000 1.247 314 Q HN 0.457 nan 8.270 nan 0.000 0.455 315 W N 3.723 125.003 121.300 -0.033 0.000 2.647 315 W HA 0.715 4.874 4.660 -0.835 0.000 0.353 315 W C -0.520 176.064 176.519 0.108 0.000 1.080 315 W CA -0.665 56.711 57.345 0.052 0.000 1.208 315 W CB 1.232 30.694 29.460 0.003 0.000 1.396 315 W HN 0.529 nan 8.180 nan 0.000 0.573 316 I N 1.056 121.896 120.570 0.450 0.000 2.802 316 I HA 0.465 4.135 4.170 -0.835 0.000 0.298 316 I C -0.342 175.994 176.117 0.365 0.000 1.176 316 I CA -1.250 60.266 61.300 0.360 0.000 1.025 316 I CB 1.585 39.758 38.000 0.288 0.000 1.243 316 I HN 0.412 nan 8.210 nan 0.000 0.424 317 R N 3.974 124.645 120.500 0.285 0.000 2.560 317 R HA 0.322 4.161 4.340 -0.835 0.000 0.270 317 R C 1.032 177.416 176.300 0.140 0.000 1.074 317 R CA -0.357 55.841 56.100 0.163 0.000 1.140 317 R CB 0.661 31.012 30.300 0.086 0.000 1.073 317 R HN 0.572 nan 8.270 nan 0.000 0.527 318 R N 1.711 122.193 120.500 -0.029 0.000 2.103 318 R HA -0.245 3.594 4.340 -0.835 0.000 0.242 318 R C 1.858 178.224 176.300 0.111 0.000 1.142 318 R CA 2.061 58.140 56.100 -0.036 0.000 0.960 318 R CB -0.355 29.854 30.300 -0.152 0.000 0.858 318 R HN 0.793 nan 8.270 nan 0.000 0.439 319 A N 0.137 122.992 122.820 0.059 0.000 1.873 319 A HA -0.251 3.568 4.320 -0.835 0.000 0.218 319 A C 1.077 178.708 177.584 0.079 0.000 1.193 319 A CA 2.098 54.167 52.037 0.053 0.000 0.629 319 A CB -0.251 18.771 19.000 0.036 0.000 0.826 319 A HN 0.659 nan 8.150 nan 0.000 0.447 320 Q N -2.745 117.134 119.800 0.131 0.000 2.464 320 Q HA -0.172 3.667 4.340 -0.835 0.000 0.246 320 Q C -0.367 175.723 176.000 0.149 0.000 0.763 320 Q CA 0.700 56.590 55.803 0.146 0.000 1.233 320 Q CB -1.886 26.899 28.738 0.079 0.000 1.361 320 Q HN 0.962 nan 8.270 nan 0.000 0.699 321 N N -0.073 118.713 118.700 0.143 0.000 2.328 321 N HA 0.208 4.447 4.740 -0.835 0.000 0.247 321 N C -0.972 174.648 175.510 0.182 0.000 1.165 321 N CA -0.031 53.090 53.050 0.118 0.000 0.873 321 N CB 0.347 38.874 38.487 0.067 0.000 1.125 321 N HN 0.329 nan 8.380 nan 0.000 0.513 322 Y N 0.771 121.103 120.300 0.054 0.000 2.252 322 Y HA 0.375 4.424 4.550 -0.835 0.000 0.318 322 Y C -1.469 174.477 175.900 0.077 0.000 1.220 322 Y CA -1.134 56.998 58.100 0.053 0.000 1.207 322 Y CB 0.477 38.958 38.460 0.035 0.000 1.244 322 Y HN 0.177 nan 8.280 nan 0.000 0.404 323 S N 6.308 121.996 115.700 -0.021 0.000 2.638 323 S HA 0.903 4.872 4.470 -0.835 0.000 0.302 323 S C -1.332 173.227 174.600 -0.067 0.000 1.096 323 S CA -0.769 57.477 58.200 0.077 0.000 0.953 323 S CB 2.453 65.698 63.200 0.074 0.000 1.107 323 S HN 0.825 nan 8.310 nan 0.000 0.503 324 I N 1.138 121.754 120.570 0.076 0.000 2.722 324 I HA 0.485 4.155 4.170 -0.835 0.000 0.292 324 I C -1.776 174.404 176.117 0.106 0.000 1.267 324 I CA -1.192 60.145 61.300 0.061 0.000 1.036 324 I CB 1.615 39.685 38.000 0.116 0.000 1.281 324 I HN 0.790 nan 8.210 nan 0.000 0.423 325 I N 5.743 126.355 120.570 0.070 0.000 2.365 325 I HA 0.265 3.934 4.170 -0.835 0.000 0.291 325 I C -0.928 175.254 176.117 0.107 0.000 1.004 325 I CA -0.050 61.261 61.300 0.019 0.000 1.311 325 I CB 1.289 39.224 38.000 -0.108 0.000 1.401 325 I HN 0.480 nan 8.210 nan 0.000 0.491 326 D N 7.321 127.758 120.400 0.062 0.000 2.469 326 D HA 0.399 4.538 4.640 -0.835 0.000 0.251 326 D C -0.640 175.670 176.300 0.016 0.000 1.173 326 D CA -0.323 53.729 54.000 0.087 0.000 0.882 326 D CB 0.975 41.853 40.800 0.131 0.000 1.129 326 D HN 0.240 nan 8.370 nan 0.000 0.549 327 I N 3.713 124.320 120.570 0.063 0.000 2.337 327 I HA 0.244 3.913 4.170 -0.835 0.000 0.291 327 I C -0.138 176.004 176.117 0.041 0.000 1.046 327 I CA -0.523 60.787 61.300 0.017 0.000 1.324 327 I CB 0.725 38.784 38.000 0.099 0.000 1.409 327 I HN 0.283 nan 8.210 nan 0.000 0.494 328 C N 5.200 124.506 119.300 0.010 0.000 2.329 328 C HA 0.440 4.399 4.460 -0.835 0.000 0.329 328 C C -0.171 174.963 174.990 0.240 0.000 1.275 328 C CA -0.662 58.431 59.018 0.126 0.000 1.726 328 C CB 0.770 28.591 27.740 0.136 0.000 2.291 328 C HN 0.614 nan 8.230 nan 0.000 0.514 329 D N 0.999 121.543 120.400 0.240 0.000 2.362 329 D HA 0.225 4.364 4.640 -0.835 0.000 0.247 329 D C -0.663 175.654 176.300 0.029 0.000 1.050 329 D CA -0.240 53.878 54.000 0.198 0.000 0.839 329 D CB 1.444 42.297 40.800 0.088 0.000 1.283 329 D HN 0.578 nan 8.370 nan 0.000 0.477 330 Y N 1.360 121.390 120.300 -0.450 0.000 2.497 330 Y HA 0.122 4.172 4.550 -0.835 0.000 0.334 330 Y C 0.078 175.675 175.900 -0.505 0.000 1.199 330 Y CA 0.182 57.649 58.100 -1.055 0.000 1.425 330 Y CB 0.742 38.356 38.460 -1.409 0.000 1.291 330 Y HN 0.161 nan 8.280 nan 0.000 0.562 331 D N 4.903 124.655 120.400 -1.081 0.000 2.472 331 D HA 0.141 4.281 4.640 -0.835 0.000 0.234 331 D C 0.302 176.045 176.300 -0.928 0.000 1.088 331 D CA -0.246 53.329 54.000 -0.709 0.000 0.882 331 D CB 0.613 41.112 40.800 -0.502 0.000 1.037 331 D HN 0.773 nan 8.370 nan 0.000 0.520 332 E N 1.131 121.015 120.200 -0.526 0.000 2.273 332 E HA -0.215 3.634 4.350 -0.835 0.000 0.198 332 E C 1.492 177.987 176.600 -0.176 0.000 1.002 332 E CA 1.300 57.576 56.400 -0.208 0.000 0.828 332 E CB 0.109 29.837 29.700 0.046 0.000 0.747 332 E HN 0.521 nan 8.360 nan 0.000 0.491 333 S N -0.402 115.175 115.700 -0.205 0.000 2.501 333 S HA -0.024 3.946 4.470 -0.835 0.000 0.220 333 S C 1.826 176.344 174.600 -0.137 0.000 0.997 333 S CA 0.966 59.090 58.200 -0.127 0.000 0.919 333 S CB 0.161 63.304 63.200 -0.096 0.000 0.778 333 S HN 0.298 nan 8.310 nan 0.000 0.523 334 T N -4.420 109.994 114.554 -0.234 0.000 2.986 334 T HA 0.553 4.402 4.350 -0.835 0.000 0.264 334 T C 1.610 176.185 174.700 -0.209 0.000 0.964 334 T CA 0.553 62.542 62.100 -0.185 0.000 0.895 334 T CB 0.099 68.858 68.868 -0.183 0.000 1.163 334 T HN 1.063 nan 8.240 nan 0.000 0.517 335 G N 2.328 110.887 108.800 -0.402 0.000 2.212 335 G HA2 -0.288 3.172 3.960 -0.835 0.000 0.266 335 G HA3 -0.288 3.172 3.960 -0.835 0.000 0.266 335 G C 0.345 174.995 174.900 -0.417 0.000 0.978 335 G CA 0.127 45.070 45.100 -0.262 0.000 0.632 335 G HN 0.672 nan 8.290 nan 0.000 0.537 336 R N -1.089 119.030 120.500 -0.636 0.000 2.707 336 R HA 0.387 4.226 4.340 -0.835 0.000 0.270 336 R C -0.591 175.071 176.300 -1.064 0.000 1.083 336 R CA 0.144 55.579 56.100 -1.109 0.000 1.182 336 R CB 0.376 30.256 30.300 -0.699 0.000 1.084 336 R HN 0.242 nan 8.270 nan 0.000 0.528 337 W N 1.945 122.555 121.300 -1.150 0.000 2.424 337 W HA 0.419 4.579 4.660 -0.834 0.000 0.318 337 W C -0.315 176.127 176.519 -0.128 0.000 1.016 337 W CA -0.332 56.830 57.345 -0.305 0.000 1.268 337 W CB 0.827 30.318 29.460 0.052 0.000 1.297 337 W HN 0.276 nan 8.180 nan 0.000 0.428 338 I N 3.506 124.110 120.570 0.057 0.000 2.488 338 I HA 0.508 4.177 4.170 -0.835 0.000 0.299 338 I C 0.640 176.824 176.117 0.111 0.000 0.984 338 I CA -0.635 60.706 61.300 0.069 0.000 1.250 338 I CB 1.486 39.475 38.000 -0.017 0.000 1.389 338 I HN 0.371 nan 8.210 nan 0.000 0.488 339 S N 3.082 118.841 115.700 0.097 0.000 2.671 339 S HA 0.880 4.850 4.470 -0.835 0.000 0.299 339 S C -0.581 174.053 174.600 0.057 0.000 1.116 339 S CA -0.606 57.645 58.200 0.084 0.000 0.912 339 S CB 2.119 65.371 63.200 0.087 0.000 1.130 339 S HN 0.801 nan 8.310 nan 0.000 0.501 340 S N -0.472 115.259 115.700 0.052 0.000 2.567 340 S HA 0.431 4.400 4.470 -0.835 0.000 0.270 340 S C 0.528 175.143 174.600 0.026 0.000 1.152 340 S CA -0.342 57.878 58.200 0.034 0.000 0.835 340 S CB 0.530 63.749 63.200 0.031 0.000 1.115 340 S HN 0.876 nan 8.310 nan 0.000 0.459 341 V N 1.952 121.872 119.914 0.008 0.000 2.282 341 V HA -0.208 3.411 4.120 -0.835 0.000 0.249 341 V C 3.154 179.231 176.094 -0.028 0.000 1.057 341 V CA 2.769 65.063 62.300 -0.009 0.000 1.032 341 V CB -1.790 30.026 31.823 -0.012 0.000 0.645 341 V HN 1.099 nan 8.190 nan 0.000 0.447 342 A N -0.452 122.361 122.820 -0.013 0.000 1.986 342 A HA -0.257 3.562 4.320 -0.835 0.000 0.220 342 A C 2.293 179.867 177.584 -0.017 0.000 1.171 342 A CA 2.058 54.085 52.037 -0.017 0.000 0.640 342 A CB -0.505 18.503 19.000 0.013 0.000 0.811 342 A HN 0.515 nan 8.150 nan 0.000 0.451 343 R N -0.366 120.157 120.500 0.038 0.000 2.426 343 R HA 0.158 3.997 4.340 -0.835 0.000 0.263 343 R C -0.444 175.958 176.300 0.171 0.000 0.961 343 R CA -0.018 56.170 56.100 0.147 0.000 1.086 343 R CB 0.150 30.546 30.300 0.160 0.000 1.186 343 R HN 0.667 nan 8.270 nan 0.000 0.537 344 Q N -0.317 119.471 119.800 -0.021 0.000 2.309 344 Q HA 0.306 4.145 4.340 -0.835 0.000 0.264 344 Q C -1.210 174.691 176.000 -0.164 0.000 1.008 344 Q CA -0.790 55.046 55.803 0.056 0.000 0.853 344 Q CB 2.142 30.901 28.738 0.034 0.000 1.314 344 Q HN 0.194 nan 8.270 nan 0.000 0.448 345 H N 0.967 120.088 119.070 0.086 0.000 2.823 345 H HA 0.414 4.469 4.556 -0.835 0.000 0.332 345 H C -0.848 174.494 175.328 0.023 0.000 0.980 345 H CA -0.425 55.685 56.048 0.103 0.000 1.286 345 H CB 0.824 30.710 29.762 0.207 0.000 1.541 345 H HN 0.446 nan 8.280 nan 0.000 0.521 346 I N 1.887 122.489 120.570 0.054 0.000 2.342 346 I HA 0.239 3.909 4.170 -0.835 0.000 0.291 346 I C 0.285 176.329 176.117 -0.121 0.000 1.010 346 I CA -0.251 60.974 61.300 -0.125 0.000 1.308 346 I CB 1.219 39.083 38.000 -0.226 0.000 1.400 346 I HN 0.533 nan 8.210 nan 0.000 0.488 347 E N 7.554 127.643 120.200 -0.186 0.000 2.176 347 E HA 0.607 4.457 4.350 -0.835 0.000 0.267 347 E C -1.163 175.335 176.600 -0.171 0.000 0.893 347 E CA -0.647 55.691 56.400 -0.102 0.000 0.761 347 E CB 2.017 31.699 29.700 -0.031 0.000 1.133 347 E HN 0.651 nan 8.360 nan 0.000 0.409 348 I N -0.189 120.318 120.570 -0.105 0.000 3.206 348 I HA 0.720 4.389 4.170 -0.835 0.000 0.313 348 I C -0.887 175.223 176.117 -0.013 0.000 1.103 348 I CA -0.802 60.463 61.300 -0.059 0.000 0.985 348 I CB 2.366 40.348 38.000 -0.029 0.000 1.240 348 I HN 0.331 nan 8.210 nan 0.000 0.464 349 S N 0.043 115.745 115.700 0.002 0.000 2.548 349 S HA 0.511 4.480 4.470 -0.835 0.000 0.276 349 S C 0.213 174.797 174.600 -0.027 0.000 1.129 349 S CA 0.075 58.264 58.200 -0.018 0.000 0.931 349 S CB 1.643 64.812 63.200 -0.050 0.000 1.068 349 S HN 0.898 nan 8.310 nan 0.000 0.480 350 T N -0.312 114.223 114.554 -0.032 0.000 3.015 350 T HA 0.062 3.911 4.350 -0.835 0.000 0.250 350 T C 1.529 176.190 174.700 -0.065 0.000 1.057 350 T CA 0.905 62.986 62.100 -0.033 0.000 1.066 350 T CB -0.414 68.445 68.868 -0.017 0.000 0.959 350 T HN 0.665 nan 8.240 nan 0.000 0.488 351 T N -1.762 112.737 114.554 -0.091 0.000 3.037 351 T HA 0.605 4.455 4.350 -0.835 0.000 0.251 351 T C 1.179 175.655 174.700 -0.373 0.000 1.079 351 T CA 0.408 62.431 62.100 -0.128 0.000 1.067 351 T CB 0.349 69.216 68.868 -0.003 0.000 0.948 351 T HN 0.633 nan 8.240 nan 0.000 0.496 352 G N 0.635 109.079 108.800 -0.593 0.000 2.704 352 G HA2 0.452 3.912 3.960 -0.835 0.000 0.118 352 G HA3 0.452 3.912 3.960 -0.835 0.000 0.118 352 G C -1.781 172.903 174.900 -0.360 0.000 1.197 352 G CA -0.521 44.136 45.100 -0.739 0.000 1.152 352 G HN 0.528 nan 8.290 nan 0.000 0.571 353 W N 0.513 121.569 121.300 -0.406 0.000 2.509 353 W HA 0.782 4.943 4.660 -0.831 0.000 0.351 353 W C -0.306 176.225 176.519 0.021 0.000 1.107 353 W CA -1.378 55.884 57.345 -0.139 0.000 1.264 353 W CB 1.168 30.527 29.460 -0.168 0.000 1.312 353 W HN 0.274 nan 8.180 nan 0.000 0.608 354 V N 4.280 124.274 119.914 0.132 0.000 2.614 354 V HA 0.510 4.129 4.120 -0.835 0.000 0.291 354 V C 1.090 177.250 176.094 0.110 0.000 1.049 354 V CA 1.001 63.341 62.300 0.065 0.000 1.038 354 V CB -0.031 31.838 31.823 0.076 0.000 0.980 354 V HN 1.271 nan 8.190 nan 0.000 0.481 355 G N 5.446 114.261 108.800 0.024 0.000 2.806 355 G HA2 -0.250 3.210 3.960 -0.835 0.000 0.236 355 G HA3 -0.250 3.210 3.960 -0.835 0.000 0.236 355 G C 0.511 175.475 174.900 0.106 0.000 1.387 355 G CA 0.526 45.661 45.100 0.058 0.000 0.884 355 G HN 0.682 nan 8.290 nan 0.000 0.560 356 R N -1.321 119.257 120.500 0.131 0.000 2.051 356 R HA 0.201 4.040 4.340 -0.835 0.000 0.225 356 R C 1.968 178.291 176.300 0.038 0.000 1.155 356 R CA 1.954 58.119 56.100 0.109 0.000 0.945 356 R CB -0.072 30.320 30.300 0.153 0.000 0.840 356 R HN 0.429 nan 8.270 nan 0.000 0.432 357 F N -0.229 119.858 119.950 0.228 0.000 2.798 357 F HA 0.303 4.329 4.527 -0.835 0.000 0.328 357 F C 0.165 176.028 175.800 0.106 0.000 1.098 357 F CA -0.430 57.670 58.000 0.167 0.000 1.172 357 F CB 0.820 39.919 39.000 0.166 0.000 1.072 357 F HN -0.053 nan 8.300 nan 0.000 0.555 358 R N -0.686 119.968 120.500 0.257 0.000 3.062 358 R HA 0.231 4.070 4.340 -0.835 0.000 0.279 358 R C -3.512 172.875 176.300 0.146 0.000 1.003 358 R CA -1.379 54.822 56.100 0.167 0.000 0.872 358 R CB 0.115 30.501 30.300 0.143 0.000 1.280 358 R HN -0.322 nan 8.270 nan 0.000 0.516 359 P HA 0.060 nan 4.420 nan 0.000 0.267 359 P C -0.076 177.262 177.300 0.063 0.000 1.200 359 P CA 0.157 63.300 63.100 0.071 0.000 0.772 359 P CB 0.508 32.231 31.700 0.039 0.000 0.855 360 A N 3.259 126.116 122.820 0.061 0.000 2.448 360 A HA 0.103 3.922 4.320 -0.835 0.000 0.239 360 A C 0.611 178.213 177.584 0.030 0.000 1.080 360 A CA -0.109 51.971 52.037 0.072 0.000 0.779 360 A CB -0.166 18.882 19.000 0.079 0.000 1.026 360 A HN 0.502 nan 8.150 nan 0.000 0.499 361 E N 1.711 121.943 120.200 0.055 0.000 2.301 361 E HA 0.320 4.169 4.350 -0.835 0.000 0.275 361 E C -2.376 174.214 176.600 -0.016 0.000 1.030 361 E CA -1.805 54.581 56.400 -0.024 0.000 0.852 361 E CB 0.590 30.264 29.700 -0.043 0.000 1.060 361 E HN 0.457 nan 8.360 nan 0.000 0.401 362 P HA 0.106 nan 4.420 nan 0.000 0.276 362 P C -0.591 176.543 177.300 -0.277 0.000 1.230 362 P CA 0.068 62.946 63.100 -0.369 0.000 0.776 362 P CB 0.651 31.768 31.700 -0.971 0.000 0.888 363 H N 3.278 122.267 119.070 -0.135 0.000 2.691 363 H HA 0.252 4.307 4.556 -0.835 0.000 0.281 363 H C 0.009 175.389 175.328 0.086 0.000 1.121 363 H CA -0.408 55.665 56.048 0.042 0.000 1.254 363 H CB 0.082 29.907 29.762 0.106 0.000 1.390 363 H HN 0.314 nan 8.280 nan 0.000 0.491 364 F N 1.594 121.648 119.950 0.173 0.000 2.410 364 F HA 0.041 4.067 4.527 -0.835 0.000 0.334 364 F C 1.638 177.578 175.800 0.233 0.000 1.134 364 F CA -0.410 57.721 58.000 0.218 0.000 1.227 364 F CB 0.751 39.810 39.000 0.098 0.000 1.194 364 F HN 0.314 nan 8.300 nan 0.000 0.571 365 T N -1.970 112.851 114.554 0.446 0.000 2.904 365 T HA 0.149 3.998 4.350 -0.835 0.000 0.290 365 T C 1.291 176.158 174.700 0.277 0.000 1.018 365 T CA -0.228 62.067 62.100 0.325 0.000 1.075 365 T CB 1.439 70.490 68.868 0.305 0.000 0.986 365 T HN 0.692 nan 8.240 nan 0.000 0.523 366 S N 1.406 117.231 115.700 0.209 0.000 2.378 366 S HA -0.270 3.699 4.470 -0.835 0.000 0.229 366 S C 1.682 176.380 174.600 0.164 0.000 1.052 366 S CA 2.250 60.552 58.200 0.171 0.000 1.084 366 S CB -1.097 62.186 63.200 0.138 0.000 0.950 366 S HN 0.926 nan 8.310 nan 0.000 0.440 367 D N -0.167 120.332 120.400 0.165 0.000 2.350 367 D HA 0.044 4.183 4.640 -0.835 0.000 0.216 367 D C 1.578 177.980 176.300 0.170 0.000 0.968 367 D CA 1.032 55.123 54.000 0.150 0.000 0.894 367 D CB -1.142 39.743 40.800 0.141 0.000 0.909 367 D HN 0.779 nan 8.370 nan 0.000 0.520 368 G N 1.206 110.141 108.800 0.226 0.000 2.166 368 G HA2 -0.378 3.081 3.960 -0.835 0.000 0.260 368 G HA3 -0.378 3.081 3.960 -0.835 0.000 0.260 368 G C 0.691 175.783 174.900 0.320 0.000 0.986 368 G CA 0.557 45.817 45.100 0.267 0.000 0.683 368 G HN 0.498 nan 8.290 nan 0.000 0.527 369 N N -0.080 118.787 118.700 0.280 0.000 2.422 369 N HA 0.298 4.537 4.740 -0.835 0.000 0.181 369 N C 0.892 176.579 175.510 0.296 0.000 1.080 369 N CA 0.748 53.951 53.050 0.255 0.000 0.893 369 N CB 0.266 38.861 38.487 0.180 0.000 0.973 369 N HN 0.682 nan 8.380 nan 0.000 0.456 370 S N -0.297 115.613 115.700 0.350 0.000 2.638 370 S HA 0.717 4.687 4.470 -0.835 0.000 0.274 370 S C -1.155 173.628 174.600 0.306 0.000 1.157 370 S CA -1.106 57.266 58.200 0.287 0.000 0.826 370 S CB 1.489 64.854 63.200 0.275 0.000 1.139 370 S HN 0.183 nan 8.310 nan 0.000 0.474 371 F N -1.806 118.068 119.950 -0.127 0.000 2.686 371 F HA 0.828 4.855 4.527 -0.834 0.000 0.311 371 F C -2.297 173.278 175.800 -0.375 0.000 1.128 371 F CA -1.487 56.318 58.000 -0.325 0.000 0.946 371 F CB 0.682 39.080 39.000 -1.004 0.000 1.336 371 F HN 0.591 nan 8.300 nan 0.000 0.457 372 Y N 1.339 121.662 120.300 0.039 0.000 2.429 372 Y HA 0.696 4.745 4.550 -0.835 0.000 0.342 372 Y C -0.325 175.624 175.900 0.082 0.000 1.004 372 Y CA -0.951 57.145 58.100 -0.006 0.000 1.075 372 Y CB 2.143 40.553 38.460 -0.083 0.000 1.214 372 Y HN 0.771 nan 8.280 nan 0.000 0.455 373 K N 3.296 123.793 120.400 0.162 0.000 2.583 373 K HA 0.431 4.250 4.320 -0.835 0.000 0.260 373 K C -1.888 174.773 176.600 0.102 0.000 0.931 373 K CA -0.516 55.831 56.287 0.100 0.000 0.849 373 K CB 1.412 33.891 32.500 -0.034 0.000 1.347 373 K HN 0.746 nan 8.250 nan 0.000 0.425 374 I N 6.192 126.808 120.570 0.077 0.000 2.517 374 I HA 0.209 3.879 4.170 -0.835 0.000 0.285 374 I C 0.412 176.590 176.117 0.102 0.000 1.106 374 I CA -0.214 61.137 61.300 0.084 0.000 1.402 374 I CB -0.005 38.022 38.000 0.044 0.000 1.399 374 I HN 0.501 nan 8.210 nan 0.000 0.535 375 I N 1.616 122.289 120.570 0.172 0.000 3.095 375 I HA 0.526 4.195 4.170 -0.835 0.000 0.310 375 I C -0.195 176.053 176.117 0.218 0.000 1.196 375 I CA -0.836 60.564 61.300 0.167 0.000 0.985 375 I CB 2.083 40.194 38.000 0.185 0.000 1.250 375 I HN 0.274 nan 8.210 nan 0.000 0.446 376 S N 2.554 118.314 115.700 0.101 0.000 2.572 376 S HA 0.191 4.161 4.470 -0.835 0.000 0.279 376 S C 0.209 174.849 174.600 0.067 0.000 1.341 376 S CA -0.441 57.767 58.200 0.013 0.000 1.043 376 S CB 0.130 63.273 63.200 -0.095 0.000 0.887 376 S HN 0.629 nan 8.310 nan 0.000 0.516 377 N N 1.295 119.932 118.700 -0.105 0.000 2.285 377 N HA 0.092 4.331 4.740 -0.835 0.000 0.262 377 N C 0.866 176.303 175.510 -0.120 0.000 1.299 377 N CA -0.151 52.747 53.050 -0.254 0.000 0.930 377 N CB 0.199 38.557 38.487 -0.215 0.000 1.157 377 N HN 0.520 nan 8.380 nan 0.000 0.532 378 E N 0.222 120.341 120.200 -0.136 0.000 2.442 378 E HA 0.034 3.883 4.350 -0.835 0.000 0.195 378 E C 0.213 176.774 176.600 -0.065 0.000 1.030 378 E CA 0.715 57.075 56.400 -0.067 0.000 0.869 378 E CB 0.106 29.769 29.700 -0.061 0.000 0.857 378 E HN 0.567 nan 8.360 nan 0.000 0.505 379 E N -0.532 119.625 120.200 -0.071 0.000 2.538 379 E HA 0.261 4.110 4.350 -0.835 0.000 0.207 379 E C 0.548 177.103 176.600 -0.075 0.000 1.002 379 E CA 0.210 56.599 56.400 -0.017 0.000 0.952 379 E CB 0.862 30.603 29.700 0.068 0.000 1.031 379 E HN 0.222 nan 8.360 nan 0.000 0.476 380 G N 1.070 109.781 108.800 -0.149 0.000 2.143 380 G HA2 -0.306 3.153 3.960 -0.835 0.000 0.248 380 G HA3 -0.306 3.153 3.960 -0.835 0.000 0.248 380 G C -0.402 174.229 174.900 -0.448 0.000 0.991 380 G CA 0.009 44.931 45.100 -0.297 0.000 0.689 380 G HN 0.259 nan 8.290 nan 0.000 0.522 381 Y N 0.436 120.616 120.300 -0.200 0.000 2.342 381 Y HA 0.549 4.599 4.550 -0.834 0.000 0.334 381 Y C 0.864 176.585 175.900 -0.298 0.000 1.067 381 Y CA -0.992 56.960 58.100 -0.246 0.000 1.128 381 Y CB 1.106 39.424 38.460 -0.237 0.000 1.200 381 Y HN -0.152 nan 8.280 nan 0.000 0.464 382 K N 4.513 124.771 120.400 -0.237 0.000 2.412 382 K HA 0.153 3.973 4.320 -0.835 0.000 0.284 382 K C -0.665 175.639 176.600 -0.494 0.000 1.046 382 K CA 0.277 56.426 56.287 -0.231 0.000 0.999 382 K CB -0.088 32.318 32.500 -0.157 0.000 0.941 382 K HN 0.729 nan 8.250 nan 0.000 0.474 383 H N 1.466 120.512 119.070 -0.040 0.000 3.012 383 H HA 0.332 4.388 4.556 -0.834 0.000 0.367 383 H C -0.008 175.436 175.328 0.193 0.000 1.211 383 H CA -0.834 55.179 56.048 -0.059 0.000 1.139 383 H CB 1.521 31.119 29.762 -0.273 0.000 1.838 383 H HN 0.361 nan 8.280 nan 0.000 0.550 384 I N 1.709 122.380 120.570 0.169 0.000 2.517 384 I HA -0.014 3.656 4.170 -0.835 0.000 0.285 384 I C 0.626 176.766 176.117 0.039 0.000 1.106 384 I CA 0.386 61.729 61.300 0.073 0.000 1.402 384 I CB 0.104 38.067 38.000 -0.062 0.000 1.399 384 I HN 0.170 nan 8.210 nan 0.000 0.535 385 c N 6.536 125.052 118.600 -0.141 0.000 2.435 385 c HA 0.362 4.432 4.570 -0.835 0.000 0.333 385 c C 0.026 173.962 174.090 -0.257 0.000 1.202 385 c CA -0.444 55.569 56.329 -0.526 0.000 1.830 385 c CB 0.962 42.870 42.510 -1.003 0.000 2.326 385 c HN 0.797 nan 8.230 nan 0.000 0.507 386 H N 3.067 121.799 119.070 -0.564 0.000 2.517 386 H HA 0.556 4.612 4.556 -0.835 0.000 0.317 386 H C -1.237 173.636 175.328 -0.759 0.000 1.080 386 H CA -0.437 55.186 56.048 -0.709 0.000 1.301 386 H CB 0.525 29.927 29.762 -0.600 0.000 1.425 386 H HN 0.556 nan 8.280 nan 0.000 0.471 387 F N 2.231 121.749 119.950 -0.719 0.000 2.507 387 F HA 0.257 4.283 4.527 -0.834 0.000 0.327 387 F C -0.157 175.260 175.800 -0.638 0.000 1.068 387 F CA -0.916 56.534 58.000 -0.917 0.000 0.965 387 F CB 1.856 39.697 39.000 -1.932 0.000 1.192 387 F HN 0.486 nan 8.300 nan 0.000 0.476 388 Q N 1.403 121.090 119.800 -0.188 0.000 2.347 388 Q HA 0.248 4.087 4.340 -0.835 0.000 0.262 388 Q C 0.910 177.046 176.000 0.226 0.000 0.980 388 Q CA -0.144 55.650 55.803 -0.014 0.000 0.867 388 Q CB 1.578 30.283 28.738 -0.054 0.000 1.242 388 Q HN 0.763 nan 8.270 nan 0.000 0.453 389 T N 1.400 116.146 114.554 0.319 0.000 2.680 389 T HA -0.233 3.617 4.350 -0.835 0.000 0.268 389 T C 0.693 175.648 174.700 0.425 0.000 1.033 389 T CA 2.303 64.682 62.100 0.466 0.000 1.152 389 T CB -0.022 69.095 68.868 0.415 0.000 0.859 389 T HN 0.648 nan 8.240 nan 0.000 0.452 390 D N -0.415 120.136 120.400 0.252 0.000 2.368 390 D HA 0.161 4.300 4.640 -0.835 0.000 0.218 390 D C 0.643 176.994 176.300 0.084 0.000 1.112 390 D CA -0.154 53.940 54.000 0.156 0.000 0.834 390 D CB 0.292 41.155 40.800 0.106 0.000 0.953 390 D HN 0.055 nan 8.370 nan 0.000 0.505 391 K N -0.370 120.094 120.400 0.106 0.000 2.354 391 K HA 0.498 4.318 4.320 -0.835 0.000 0.238 391 K C 0.758 177.344 176.600 -0.024 0.000 1.068 391 K CA -0.510 55.787 56.287 0.017 0.000 0.925 391 K CB 1.325 33.814 32.500 -0.017 0.000 1.286 391 K HN 0.032 nan 8.250 nan 0.000 0.500 392 S N -1.406 114.256 115.700 -0.064 0.000 2.589 392 S HA 0.176 4.146 4.470 -0.835 0.000 0.235 392 S C 0.176 174.719 174.600 -0.096 0.000 1.051 392 S CA -0.302 57.852 58.200 -0.077 0.000 0.978 392 S CB 0.062 63.207 63.200 -0.092 0.000 0.929 392 S HN 0.426 nan 8.310 nan 0.000 0.523 393 N N 1.712 120.322 118.700 -0.149 0.000 2.524 393 N HA 0.609 4.848 4.740 -0.835 0.000 0.283 393 N C -0.364 174.900 175.510 -0.410 0.000 1.142 393 N CA -0.217 52.693 53.050 -0.233 0.000 0.984 393 N CB 1.452 39.829 38.487 -0.183 0.000 1.155 393 N HN 0.626 nan 8.380 nan 0.000 0.467 394 c N -0.843 117.414 118.600 -0.573 0.000 2.971 394 c HA 0.841 4.911 4.570 -0.835 0.000 0.310 394 c C -0.596 173.120 174.090 -0.622 0.000 1.285 394 c CA -0.695 55.113 56.329 -0.870 0.000 1.593 394 c CB 1.209 42.684 42.510 -1.726 0.000 2.076 394 c HN 0.607 nan 8.230 nan 0.000 0.472 395 T N 2.131 116.339 114.554 -0.576 0.000 2.841 395 T HA 0.514 4.364 4.350 -0.835 0.000 0.285 395 T C -0.724 173.753 174.700 -0.372 0.000 0.991 395 T CA 0.075 61.967 62.100 -0.348 0.000 0.966 395 T CB 0.616 69.383 68.868 -0.169 0.000 0.962 395 T HN 0.525 nan 8.240 nan 0.000 0.438 396 F N 2.759 122.572 119.950 -0.228 0.000 2.459 396 F HA 0.311 4.337 4.527 -0.835 0.000 0.346 396 F C 1.615 177.227 175.800 -0.314 0.000 1.128 396 F CA -0.663 57.194 58.000 -0.238 0.000 1.268 396 F CB 0.591 39.459 39.000 -0.220 0.000 1.161 396 F HN 0.598 nan 8.300 nan 0.000 0.583 397 I N -1.113 119.347 120.570 -0.183 0.000 4.240 397 I HA 0.294 3.963 4.170 -0.835 0.000 0.331 397 I C -0.365 175.660 176.117 -0.153 0.000 1.381 397 I CA 0.002 61.032 61.300 -0.450 0.000 1.136 397 I CB 0.220 37.681 38.000 -0.899 0.000 1.137 397 I HN 0.476 nan 8.210 nan 0.000 0.411 398 T N 0.349 114.827 114.554 -0.125 0.000 2.909 398 T HA 0.699 4.548 4.350 -0.835 0.000 0.299 398 T C -0.758 173.517 174.700 -0.708 0.000 1.073 398 T CA -0.682 61.302 62.100 -0.193 0.000 0.999 398 T CB 2.666 71.481 68.868 -0.089 0.000 1.098 398 T HN 0.302 nan 8.240 nan 0.000 0.477 399 K N 0.288 120.180 120.400 -0.847 0.000 2.555 399 K HA 0.883 4.703 4.320 -0.835 0.000 0.279 399 K C -0.331 175.772 176.600 -0.830 0.000 0.986 399 K CA -0.745 54.814 56.287 -1.213 0.000 0.880 399 K CB 1.533 33.685 32.500 -0.580 0.000 1.474 399 K HN 1.709 nan 8.250 nan 0.000 0.433 400 G N -0.914 107.456 108.800 -0.716 0.000 2.339 400 G HA2 0.378 3.837 3.960 -0.835 0.000 0.381 400 G HA3 0.378 3.837 3.960 -0.835 0.000 0.381 400 G C -1.325 173.184 174.900 -0.653 0.000 1.400 400 G CA -0.349 44.531 45.100 -0.368 0.000 1.002 400 G HN 0.876 nan 8.290 nan 0.000 0.633 401 A N 1.204 123.815 122.820 -0.349 0.000 3.118 401 A HA 0.636 4.456 4.320 -0.835 0.000 0.256 401 A C 0.251 177.708 177.584 -0.211 0.000 1.667 401 A CA 0.656 52.251 52.037 -0.736 0.000 1.338 401 A CB -1.136 17.692 19.000 -0.286 0.000 1.127 401 A HN 1.816 nan 8.150 nan 0.000 0.634 402 W N -0.771 120.293 121.300 -0.392 0.000 2.926 402 W HA 0.594 4.753 4.660 -0.835 0.000 0.361 402 W C -1.152 175.338 176.519 -0.048 0.000 1.195 402 W CA -0.799 56.502 57.345 -0.072 0.000 1.177 402 W CB 0.246 29.670 29.460 -0.061 0.000 1.453 402 W HN 0.253 nan 8.180 nan 0.000 0.571 403 E N 0.595 120.895 120.200 0.166 0.000 2.336 403 E HA 0.520 4.369 4.350 -0.835 0.000 0.267 403 E C -1.291 175.313 176.600 0.005 0.000 0.906 403 E CA -1.222 55.097 56.400 -0.135 0.000 0.781 403 E CB 3.339 33.060 29.700 0.035 0.000 1.261 403 E HN 0.155 nan 8.360 nan 0.000 0.436 404 V N 3.402 123.204 119.914 -0.186 0.000 2.383 404 V HA 0.050 3.669 4.120 -0.835 0.000 0.275 404 V C 1.142 177.275 176.094 0.064 0.000 1.036 404 V CA -0.252 62.031 62.300 -0.028 0.000 0.889 404 V CB 0.782 32.484 31.823 -0.202 0.000 0.985 404 V HN 0.643 nan 8.190 nan 0.000 0.459 405 I N 3.402 124.053 120.570 0.135 0.000 2.233 405 I HA 0.198 3.868 4.170 -0.835 0.000 0.243 405 I C 1.165 177.369 176.117 0.146 0.000 1.093 405 I CA 1.199 62.583 61.300 0.140 0.000 1.380 405 I CB -1.061 36.975 38.000 0.060 0.000 1.067 405 I HN 0.722 nan 8.210 nan 0.000 0.413 406 G N 0.388 109.277 108.800 0.148 0.000 2.632 406 G HA2 0.559 4.018 3.960 -0.835 0.000 0.292 406 G HA3 0.559 4.018 3.960 -0.835 0.000 0.292 406 G C -1.235 173.731 174.900 0.111 0.000 1.465 406 G CA -0.629 44.547 45.100 0.126 0.000 0.824 406 G HN -0.016 nan 8.290 nan 0.000 0.509 407 I N 1.301 121.860 120.570 -0.019 0.000 2.365 407 I HA 0.258 3.927 4.170 -0.835 0.000 0.291 407 I C 0.751 176.815 176.117 -0.089 0.000 1.004 407 I CA -0.555 60.659 61.300 -0.143 0.000 1.311 407 I CB 1.806 39.454 38.000 -0.587 0.000 1.401 407 I HN 0.501 nan 8.210 nan 0.000 0.491 408 E N 4.491 124.661 120.200 -0.049 0.000 2.251 408 E HA 0.308 4.157 4.350 -0.835 0.000 0.194 408 E C 0.126 176.556 176.600 -0.283 0.000 0.964 408 E CA 0.244 56.596 56.400 -0.079 0.000 0.868 408 E CB 0.931 30.611 29.700 -0.033 0.000 0.828 408 E HN 0.736 nan 8.360 nan 0.000 0.481 409 A N 0.461 123.057 122.820 -0.374 0.000 2.597 409 A HA 0.563 4.382 4.320 -0.835 0.000 0.292 409 A C -2.048 175.454 177.584 -0.137 0.000 1.057 409 A CA -0.643 51.163 52.037 -0.385 0.000 0.674 409 A CB 1.160 19.530 19.000 -1.049 0.000 1.278 409 A HN 0.029 nan 8.150 nan 0.000 0.416 410 L N 1.723 122.928 121.223 -0.030 0.000 2.573 410 L HA 0.583 4.423 4.340 -0.835 0.000 0.260 410 L C 0.303 177.216 176.870 0.071 0.000 0.997 410 L CA 0.448 55.302 54.840 0.023 0.000 0.890 410 L CB 1.270 43.344 42.059 0.025 0.000 1.179 410 L HN 1.129 nan 8.230 nan 0.000 0.439 411 T N -0.456 114.171 114.554 0.121 0.000 2.810 411 T HA 0.329 4.178 4.350 -0.835 0.000 0.277 411 T C 1.280 176.036 174.700 0.093 0.000 0.973 411 T CA 0.046 62.226 62.100 0.134 0.000 0.949 411 T CB 0.965 69.960 68.868 0.213 0.000 1.075 411 T HN 0.626 nan 8.240 nan 0.000 0.537 412 S N -0.441 115.311 115.700 0.086 0.000 2.507 412 S HA -0.067 3.903 4.470 -0.835 0.000 0.235 412 S C 0.699 175.300 174.600 0.001 0.000 0.988 412 S CA 0.683 58.919 58.200 0.060 0.000 0.944 412 S CB -0.408 62.831 63.200 0.065 0.000 0.762 412 S HN 0.744 nan 8.310 nan 0.000 0.526 413 D N -0.317 120.060 120.400 -0.037 0.000 2.856 413 D HA 0.232 4.371 4.640 -0.835 0.000 0.283 413 D C 0.065 176.151 176.300 -0.357 0.000 1.051 413 D CA 0.565 54.416 54.000 -0.248 0.000 0.965 413 D CB -0.067 40.481 40.800 -0.420 0.000 1.201 413 D HN 0.415 nan 8.370 nan 0.000 0.474 414 Y N 0.150 120.433 120.300 -0.029 0.000 2.565 414 Y HA 0.533 4.583 4.550 -0.835 0.000 0.325 414 Y C 0.131 175.928 175.900 -0.171 0.000 1.221 414 Y CA -1.136 56.877 58.100 -0.146 0.000 1.316 414 Y CB 1.436 39.710 38.460 -0.311 0.000 1.404 414 Y HN -0.199 nan 8.280 nan 0.000 0.527 415 L N 1.778 122.945 121.223 -0.094 0.000 2.482 415 L HA 0.439 4.278 4.340 -0.835 0.000 0.269 415 L C -2.206 174.581 176.870 -0.139 0.000 0.967 415 L CA -0.994 53.776 54.840 -0.116 0.000 0.851 415 L CB 0.517 42.453 42.059 -0.206 0.000 1.242 415 L HN 0.611 nan 8.230 nan 0.000 0.404 416 Y N 6.040 126.231 120.300 -0.181 0.000 2.330 416 Y HA 0.590 4.639 4.550 -0.835 0.000 0.336 416 Y C 0.007 175.831 175.900 -0.125 0.000 1.036 416 Y CA -0.271 57.684 58.100 -0.242 0.000 1.125 416 Y CB 1.242 39.399 38.460 -0.505 0.000 1.194 416 Y HN 0.580 nan 8.280 nan 0.000 0.469 417 Y N 0.660 121.000 120.300 0.067 0.000 2.677 417 Y HA 0.816 4.865 4.550 -0.835 0.000 0.334 417 Y C -1.795 174.201 175.900 0.160 0.000 1.154 417 Y CA -1.991 56.150 58.100 0.068 0.000 1.070 417 Y CB 1.234 39.715 38.460 0.036 0.000 1.294 417 Y HN 0.284 nan 8.280 nan 0.000 0.475 418 I N 2.957 123.763 120.570 0.394 0.000 2.436 418 I HA 0.576 4.246 4.170 -0.835 0.000 0.289 418 I C -0.624 175.728 176.117 0.391 0.000 1.010 418 I CA -0.360 61.126 61.300 0.310 0.000 1.098 418 I CB 1.648 39.758 38.000 0.183 0.000 1.266 418 I HN 0.911 nan 8.210 nan 0.000 0.434 419 S N 3.850 119.766 115.700 0.360 0.000 2.671 419 S HA 0.463 4.432 4.470 -0.835 0.000 0.277 419 S C -0.301 174.395 174.600 0.160 0.000 1.165 419 S CA -0.841 57.514 58.200 0.258 0.000 0.822 419 S CB 1.966 65.373 63.200 0.344 0.000 1.150 419 S HN 0.597 nan 8.310 nan 0.000 0.479 420 N N -0.511 118.273 118.700 0.139 0.000 2.321 420 N HA 0.113 4.352 4.740 -0.835 0.000 0.242 420 N C 0.546 176.089 175.510 0.055 0.000 1.141 420 N CA -0.177 52.914 53.050 0.068 0.000 0.864 420 N CB 0.188 38.691 38.487 0.028 0.000 1.100 420 N HN 0.862 nan 8.380 nan 0.000 0.510 421 E N 0.309 120.453 120.200 -0.094 0.000 2.072 421 E HA -0.222 3.627 4.350 -0.835 0.000 0.190 421 E C -0.001 176.483 176.600 -0.193 0.000 0.982 421 E CA 0.225 56.382 56.400 -0.405 0.000 0.803 421 E CB -0.250 28.579 29.700 -1.451 0.000 0.755 421 E HN 0.514 nan 8.360 nan 0.000 0.453 422 H N 1.155 120.160 119.070 -0.108 0.000 3.173 422 H HA -0.066 3.990 4.556 -0.835 0.000 0.311 422 H C -0.047 175.261 175.328 -0.034 0.000 0.972 422 H CA 1.120 57.147 56.048 -0.035 0.000 1.384 422 H CB 0.316 30.092 29.762 0.023 0.000 1.349 422 H HN 0.047 nan 8.280 nan 0.000 0.582 423 K N 3.295 123.384 120.400 -0.519 0.000 2.960 423 K HA -0.212 3.608 4.320 -0.835 0.000 0.259 423 K C 1.279 177.830 176.600 -0.081 0.000 1.025 423 K CA 1.161 57.263 56.287 -0.309 0.000 0.756 423 K CB -1.646 30.666 32.500 -0.313 0.000 1.221 423 K HN 1.043 nan 8.250 nan 0.000 0.483 424 G N -0.010 108.751 108.800 -0.065 0.000 2.243 424 G HA2 -0.397 3.063 3.960 -0.835 0.000 0.276 424 G HA3 -0.397 3.063 3.960 -0.835 0.000 0.276 424 G C 0.215 175.153 174.900 0.064 0.000 0.997 424 G CA 1.230 46.348 45.100 0.030 0.000 0.693 424 G HN 0.617 nan 8.290 nan 0.000 0.529 425 M N -0.465 119.104 119.600 -0.052 0.000 2.143 425 M HA 0.442 4.422 4.480 -0.835 0.000 0.348 425 M C -0.954 175.146 176.300 -0.333 0.000 1.375 425 M CA -1.754 53.328 55.300 -0.362 0.000 1.124 425 M CB 1.341 33.618 32.600 -0.538 0.000 1.669 425 M HN -0.085 nan 8.290 nan 0.000 0.469 426 P HA -0.089 nan 4.420 nan 0.000 0.223 426 P C 1.046 178.238 177.300 -0.180 0.000 1.144 426 P CA 1.561 64.567 63.100 -0.155 0.000 0.783 426 P CB -0.093 31.578 31.700 -0.048 0.000 0.771 427 G N -0.420 108.193 108.800 -0.312 0.000 3.327 427 G HA2 0.320 3.779 3.960 -0.835 0.000 0.240 427 G HA3 0.320 3.779 3.960 -0.835 0.000 0.240 427 G C 0.591 175.457 174.900 -0.057 0.000 1.222 427 G CA 0.014 45.031 45.100 -0.138 0.000 0.871 427 G HN 0.435 nan 8.290 nan 0.000 0.525 428 G N -0.137 108.586 108.800 -0.130 0.000 2.453 428 G HA2 0.648 4.108 3.960 -0.835 0.000 0.323 428 G HA3 0.648 4.108 3.960 -0.835 0.000 0.323 428 G C -0.890 173.880 174.900 -0.217 0.000 1.198 428 G CA -0.789 44.255 45.100 -0.093 0.000 0.959 428 G HN 0.076 nan 8.290 nan 0.000 0.482 429 R N 1.310 121.649 120.500 -0.268 0.000 2.575 429 R HA 0.500 4.340 4.340 -0.835 0.000 0.293 429 R C -1.180 175.124 176.300 0.008 0.000 0.983 429 R CA -0.865 55.087 56.100 -0.247 0.000 0.887 429 R CB 1.992 31.912 30.300 -0.633 0.000 1.184 429 R HN 0.581 nan 8.270 nan 0.000 0.445 430 N N 1.531 120.265 118.700 0.057 0.000 2.329 430 N HA 0.298 4.538 4.740 -0.835 0.000 0.282 430 N C -1.383 174.040 175.510 -0.145 0.000 1.198 430 N CA -0.787 52.199 53.050 -0.107 0.000 0.790 430 N CB 2.684 41.016 38.487 -0.258 0.000 1.579 430 N HN 0.239 nan 8.380 nan 0.000 0.475 431 L N 2.541 123.493 121.223 -0.452 0.000 2.290 431 L HA 0.444 4.283 4.340 -0.835 0.000 0.284 431 L C -1.304 175.164 176.870 -0.671 0.000 1.078 431 L CA 0.072 54.679 54.840 -0.387 0.000 0.815 431 L CB -0.273 41.552 42.059 -0.389 0.000 1.162 431 L HN 0.400 nan 8.230 nan 0.000 0.435 432 Y N 4.099 124.068 120.300 -0.552 0.000 2.562 432 Y HA 0.659 4.708 4.550 -0.835 0.000 0.343 432 Y C -0.122 175.364 175.900 -0.690 0.000 1.025 432 Y CA -0.859 56.832 58.100 -0.682 0.000 1.082 432 Y CB 1.526 39.382 38.460 -1.007 0.000 1.264 432 Y HN 0.498 nan 8.280 nan 0.000 0.478 433 R N 3.092 123.358 120.500 -0.390 0.000 2.483 433 R HA 0.585 4.424 4.340 -0.835 0.000 0.303 433 R C -1.947 174.237 176.300 -0.193 0.000 0.987 433 R CA -0.484 55.314 56.100 -0.503 0.000 0.881 433 R CB 1.082 30.940 30.300 -0.737 0.000 1.177 433 R HN 0.906 nan 8.270 nan 0.000 0.451 434 I N 3.307 123.843 120.570 -0.056 0.000 2.412 434 I HA 0.232 3.901 4.170 -0.835 0.000 0.296 434 I C -0.470 175.707 176.117 0.100 0.000 0.987 434 I CA -0.745 60.621 61.300 0.111 0.000 1.180 434 I CB 1.722 39.868 38.000 0.243 0.000 1.340 434 I HN 0.728 nan 8.210 nan 0.000 0.455 435 Q N 6.032 125.900 119.800 0.113 0.000 2.323 435 Q HA 0.107 3.946 4.340 -0.835 0.000 0.257 435 Q C 0.243 176.250 176.000 0.012 0.000 1.022 435 Q CA -0.623 55.179 55.803 -0.000 0.000 0.919 435 Q CB 1.080 29.808 28.738 -0.017 0.000 1.220 435 Q HN 0.774 nan 8.270 nan 0.000 0.427 436 L N 3.878 125.077 121.223 -0.039 0.000 2.197 436 L HA -0.251 3.589 4.340 -0.835 0.000 0.215 436 L C 1.732 178.610 176.870 0.013 0.000 1.095 436 L CA 1.824 56.705 54.840 0.069 0.000 0.764 436 L CB -1.043 41.016 42.059 0.001 0.000 0.897 436 L HN 0.780 nan 8.230 nan 0.000 0.436 437 N N -2.100 116.542 118.700 -0.096 0.000 2.336 437 N HA -0.049 4.190 4.740 -0.835 0.000 0.189 437 N C -0.010 175.366 175.510 -0.223 0.000 1.113 437 N CA 0.259 53.220 53.050 -0.148 0.000 0.858 437 N CB 0.018 38.441 38.487 -0.107 0.000 0.970 437 N HN 0.285 nan 8.380 nan 0.000 0.471 438 D N -0.057 120.224 120.400 -0.199 0.000 2.411 438 D HA 0.019 4.158 4.640 -0.835 0.000 0.239 438 D C -0.434 175.851 176.300 -0.026 0.000 1.307 438 D CA -0.449 53.452 54.000 -0.165 0.000 0.930 438 D CB -0.037 40.717 40.800 -0.077 0.000 1.395 438 D HN -0.096 nan 8.370 nan 0.000 0.536 439 Y N 1.031 121.356 120.300 0.042 0.000 2.736 439 Y HA -0.076 3.973 4.550 -0.834 0.000 0.298 439 Y C 2.297 178.234 175.900 0.061 0.000 1.156 439 Y CA 0.667 58.804 58.100 0.061 0.000 1.384 439 Y CB -0.690 37.811 38.460 0.070 0.000 0.976 439 Y HN 0.268 nan 8.280 nan 0.000 0.556 440 T N -0.852 113.793 114.554 0.152 0.000 2.976 440 T HA -0.028 3.822 4.350 -0.835 0.000 0.257 440 T C 0.856 175.614 174.700 0.095 0.000 1.051 440 T CA 0.349 62.513 62.100 0.107 0.000 1.141 440 T CB -0.051 68.851 68.868 0.056 0.000 0.881 440 T HN 0.184 nan 8.240 nan 0.000 0.461 441 K N 2.497 122.946 120.400 0.082 0.000 2.083 441 K HA 0.338 4.158 4.320 -0.835 0.000 0.246 441 K C -0.793 175.865 176.600 0.097 0.000 1.160 441 K CA -0.166 56.165 56.287 0.073 0.000 1.060 441 K CB 0.245 32.776 32.500 0.052 0.000 1.417 441 K HN 0.072 nan 8.250 nan 0.000 0.329 442 V N 1.682 121.657 119.914 0.100 0.000 2.555 442 V HA 0.501 4.121 4.120 -0.835 0.000 0.302 442 V C -0.601 175.535 176.094 0.070 0.000 1.038 442 V CA -0.237 62.131 62.300 0.114 0.000 0.887 442 V CB 1.979 33.911 31.823 0.182 0.000 0.991 442 V HN 0.646 nan 8.190 nan 0.000 0.434 443 T N 5.118 119.684 114.554 0.019 0.000 2.906 443 T HA 0.456 4.306 4.350 -0.835 0.000 0.295 443 T C -1.108 173.496 174.700 -0.160 0.000 1.075 443 T CA -0.464 61.606 62.100 -0.050 0.000 1.005 443 T CB 1.359 70.179 68.868 -0.080 0.000 1.136 443 T HN 1.018 nan 8.240 nan 0.000 0.498 444 C N 5.664 124.809 119.300 -0.259 0.000 2.281 444 C HA 0.573 4.532 4.460 -0.835 0.000 0.323 444 C C 1.509 176.216 174.990 -0.471 0.000 1.270 444 C CA -0.746 57.931 59.018 -0.569 0.000 1.559 444 C CB -1.481 25.871 27.740 -0.648 0.000 2.239 444 C HN 0.974 nan 8.230 nan 0.000 0.488 445 L N 4.202 125.117 121.223 -0.513 0.000 2.418 445 L HA 0.055 3.894 4.340 -0.835 0.000 0.218 445 L C 2.179 178.757 176.870 -0.487 0.000 1.125 445 L CA 1.141 55.739 54.840 -0.404 0.000 0.835 445 L CB -0.232 41.613 42.059 -0.357 0.000 0.953 445 L HN 0.862 nan 8.230 nan 0.000 0.454 446 S N -3.010 112.282 115.700 -0.680 0.000 2.524 446 S HA -0.016 3.953 4.470 -0.835 0.000 0.222 446 S C 1.935 176.150 174.600 -0.642 0.000 1.040 446 S CA -0.073 57.601 58.200 -0.877 0.000 0.915 446 S CB -0.382 61.829 63.200 -1.648 0.000 0.831 446 S HN 0.302 nan 8.310 nan 0.000 0.492 447 C N 2.306 121.237 119.300 -0.614 0.000 2.363 447 C HA -0.097 3.862 4.460 -0.835 0.000 0.274 447 C C 2.461 177.243 174.990 -0.347 0.000 1.183 447 C CA 1.617 60.267 59.018 -0.614 0.000 1.771 447 C CB -1.067 26.298 27.740 -0.625 0.000 2.059 447 C HN 0.593 nan 8.230 nan 0.000 0.455 448 E N -0.192 119.873 120.200 -0.226 0.000 2.481 448 E HA 0.195 4.044 4.350 -0.835 0.000 0.198 448 E C 1.867 178.432 176.600 -0.058 0.000 1.027 448 E CA -0.110 56.229 56.400 -0.101 0.000 0.900 448 E CB -0.239 29.417 29.700 -0.073 0.000 0.993 448 E HN 0.553 nan 8.360 nan 0.000 0.482 449 L N 0.137 121.320 121.223 -0.067 0.000 1.990 449 L HA -0.176 3.663 4.340 -0.835 0.000 0.213 449 L C -0.095 176.792 176.870 0.028 0.000 1.072 449 L CA 1.294 56.133 54.840 -0.002 0.000 0.755 449 L CB -0.120 41.956 42.059 0.029 0.000 0.889 449 L HN 0.118 nan 8.230 nan 0.000 0.432 450 N N -2.011 116.720 118.700 0.052 0.000 2.751 450 N HA 0.096 4.335 4.740 -0.835 0.000 0.234 450 N C -2.091 173.445 175.510 0.043 0.000 1.403 450 N CA -0.671 52.401 53.050 0.036 0.000 0.747 450 N CB 0.980 39.480 38.487 0.022 0.000 1.326 450 N HN -0.111 nan 8.380 nan 0.000 0.532 451 P HA -0.218 nan 4.420 nan 0.000 0.217 451 P C 0.456 177.795 177.300 0.066 0.000 1.148 451 P CA 1.527 64.664 63.100 0.061 0.000 0.828 451 P CB 0.647 32.385 31.700 0.064 0.000 0.783 452 E N -0.400 119.823 120.200 0.038 0.000 2.075 452 E HA -0.055 3.794 4.350 -0.835 0.000 0.190 452 E C 2.293 178.900 176.600 0.011 0.000 0.969 452 E CA 0.705 57.121 56.400 0.028 0.000 0.815 452 E CB -0.503 29.205 29.700 0.014 0.000 0.776 452 E HN 0.314 nan 8.360 nan 0.000 0.457 453 R N -0.184 120.310 120.500 -0.011 0.000 2.161 453 R HA 0.074 3.913 4.340 -0.835 0.000 0.213 453 R C -0.035 176.218 176.300 -0.077 0.000 1.055 453 R CA 0.607 56.679 56.100 -0.048 0.000 0.996 453 R CB 0.290 30.550 30.300 -0.067 0.000 0.901 453 R HN 0.005 nan 8.270 nan 0.000 0.456 454 c N 1.107 119.671 118.600 -0.061 0.000 2.321 454 c HA 0.416 4.485 4.570 -0.835 0.000 0.323 454 c C 0.038 174.132 174.090 0.006 0.000 1.191 454 c CA -0.692 55.538 56.329 -0.164 0.000 1.455 454 c CB 1.336 43.681 42.510 -0.275 0.000 2.083 454 c HN 0.553 nan 8.230 nan 0.000 0.442 455 Q N 0.301 120.105 119.800 0.007 0.000 2.126 455 Q HA 0.185 4.024 4.340 -0.835 0.000 0.233 455 Q C -0.748 175.356 176.000 0.174 0.000 0.788 455 Q CA 0.152 56.038 55.803 0.139 0.000 0.968 455 Q CB 1.276 30.095 28.738 0.136 0.000 1.163 455 Q HN 0.773 nan 8.270 nan 0.000 0.471 456 Y N 0.555 120.834 120.300 -0.035 0.000 2.338 456 Y HA 0.439 4.489 4.550 -0.834 0.000 0.328 456 Y C -1.452 174.440 175.900 -0.013 0.000 0.965 456 Y CA -1.163 56.969 58.100 0.054 0.000 1.208 456 Y CB 0.726 39.229 38.460 0.073 0.000 1.132 456 Y HN -0.114 nan 8.280 nan 0.000 0.469 457 Y N 1.749 122.129 120.300 0.134 0.000 2.605 457 Y HA 0.699 4.749 4.550 -0.834 0.000 0.343 457 Y C -0.160 175.868 175.900 0.215 0.000 1.036 457 Y CA -0.834 57.329 58.100 0.105 0.000 1.065 457 Y CB 2.362 40.782 38.460 -0.067 0.000 1.288 457 Y HN 0.491 nan 8.280 nan 0.000 0.481 458 S N 0.427 116.377 115.700 0.415 0.000 2.618 458 S HA 0.989 4.958 4.470 -0.835 0.000 0.277 458 S C -1.313 173.442 174.600 0.258 0.000 1.138 458 S CA -0.600 57.833 58.200 0.388 0.000 0.844 458 S CB 2.043 65.598 63.200 0.591 0.000 1.127 458 S HN 1.105 nan 8.310 nan 0.000 0.474 459 A N 0.428 123.395 122.820 0.245 0.000 2.527 459 A HA 0.910 4.729 4.320 -0.835 0.000 0.293 459 A C -0.661 177.090 177.584 0.278 0.000 1.117 459 A CA -0.734 51.422 52.037 0.197 0.000 0.723 459 A CB 1.722 20.777 19.000 0.093 0.000 1.313 459 A HN 1.379 nan 8.150 nan 0.000 0.411 460 S N 0.316 116.169 115.700 0.255 0.000 2.756 460 S HA 0.678 4.648 4.470 -0.835 0.000 0.303 460 S C -1.431 173.320 174.600 0.252 0.000 1.135 460 S CA -0.359 58.069 58.200 0.381 0.000 1.066 460 S CB -0.200 63.285 63.200 0.476 0.000 1.008 460 S HN 0.425 nan 8.310 nan 0.000 0.482 461 F N 3.033 122.999 119.950 0.026 0.000 2.377 461 F HA 0.474 4.500 4.527 -0.835 0.000 0.328 461 F C 1.394 176.748 175.800 -0.743 0.000 1.094 461 F CA -0.305 57.537 58.000 -0.263 0.000 1.093 461 F CB 1.453 40.306 39.000 -0.246 0.000 1.214 461 F HN 0.636 nan 8.300 nan 0.000 0.518 462 S N 0.992 116.110 115.700 -0.970 0.000 2.641 462 S HA 0.176 4.145 4.470 -0.835 0.000 0.261 462 S C 1.004 175.442 174.600 -0.269 0.000 1.257 462 S CA -0.404 57.087 58.200 -1.181 0.000 0.983 462 S CB 0.302 62.909 63.200 -0.989 0.000 0.990 462 S HN 0.722 nan 8.310 nan 0.000 0.572 463 N N 0.848 119.530 118.700 -0.030 0.000 2.060 463 N HA -0.161 4.078 4.740 -0.835 0.000 0.195 463 N C 1.277 176.831 175.510 0.074 0.000 1.028 463 N CA 1.496 54.599 53.050 0.089 0.000 0.861 463 N CB -0.237 38.342 38.487 0.154 0.000 1.029 463 N HN 0.587 nan 8.380 nan 0.000 0.428 464 K N -0.197 120.243 120.400 0.068 0.000 2.358 464 K HA 0.344 4.164 4.320 -0.835 0.000 0.200 464 K C -0.017 176.611 176.600 0.046 0.000 1.030 464 K CA 0.207 56.535 56.287 0.069 0.000 1.097 464 K CB 1.141 33.692 32.500 0.085 0.000 0.862 464 K HN 0.186 nan 8.250 nan 0.000 0.534 465 A N 1.563 124.397 122.820 0.023 0.000 3.256 465 A HA -0.200 3.619 4.320 -0.835 0.000 0.244 465 A C 0.873 178.448 177.584 -0.015 0.000 1.350 465 A CA 0.785 52.854 52.037 0.054 0.000 0.831 465 A CB -1.975 16.983 19.000 -0.071 0.000 1.046 465 A HN 0.350 nan 8.150 nan 0.000 0.602 466 K N -1.805 118.555 120.400 -0.067 0.000 2.243 466 K HA 0.216 4.035 4.320 -0.835 0.000 0.201 466 K C 0.174 176.386 176.600 -0.646 0.000 1.051 466 K CA 1.295 57.429 56.287 -0.255 0.000 0.970 466 K CB 0.186 32.626 32.500 -0.099 0.000 0.755 466 K HN 0.717 nan 8.250 nan 0.000 0.465 467 Y N -0.978 119.193 120.300 -0.216 0.000 2.644 467 Y HA 0.335 4.384 4.550 -0.835 0.000 0.338 467 Y C -0.733 174.887 175.900 -0.467 0.000 1.119 467 Y CA -1.572 56.333 58.100 -0.326 0.000 1.060 467 Y CB 1.702 40.001 38.460 -0.267 0.000 1.294 467 Y HN -0.050 nan 8.280 nan 0.000 0.472 468 Y N -1.485 118.630 120.300 -0.308 0.000 2.656 468 Y HA 0.510 4.559 4.550 -0.835 0.000 0.334 468 Y C -1.585 174.283 175.900 -0.054 0.000 1.179 468 Y CA -1.454 56.367 58.100 -0.466 0.000 1.050 468 Y CB 1.509 39.235 38.460 -1.224 0.000 1.308 468 Y HN 0.577 nan 8.280 nan 0.000 0.456 469 Q N 2.318 122.233 119.800 0.192 0.000 2.316 469 Q HA 0.587 4.426 4.340 -0.835 0.000 0.264 469 Q C -1.961 174.137 176.000 0.163 0.000 0.987 469 Q CA -0.857 55.039 55.803 0.155 0.000 0.852 469 Q CB 1.802 30.626 28.738 0.143 0.000 1.287 469 Q HN 0.948 nan 8.270 nan 0.000 0.448 470 L N 4.867 126.174 121.223 0.140 0.000 2.280 470 L HA 0.502 4.341 4.340 -0.835 0.000 0.287 470 L C -0.479 176.376 176.870 -0.025 0.000 1.023 470 L CA -0.531 54.369 54.840 0.101 0.000 0.819 470 L CB 1.143 43.246 42.059 0.074 0.000 1.212 470 L HN 0.577 nan 8.230 nan 0.000 0.420 471 R N 2.833 123.236 120.500 -0.163 0.000 2.207 471 R HA 0.305 4.144 4.340 -0.835 0.000 0.334 471 R C -0.593 175.131 176.300 -0.961 0.000 1.013 471 R CA -0.482 55.166 56.100 -0.753 0.000 0.858 471 R CB 1.359 31.199 30.300 -0.767 0.000 1.094 471 R HN 0.520 nan 8.270 nan 0.000 0.457 472 c N 4.954 122.930 118.600 -1.040 0.000 2.265 472 c HA 0.420 4.490 4.570 -0.835 0.000 0.332 472 c C 0.555 174.142 174.090 -0.839 0.000 1.248 472 c CA -0.668 55.048 56.329 -1.021 0.000 1.727 472 c CB -1.023 40.974 42.510 -0.854 0.000 2.348 472 c HN 0.973 nan 8.230 nan 0.000 0.519 473 F N 4.285 124.091 119.950 -0.240 0.000 2.727 473 F HA 0.447 4.474 4.527 -0.833 0.000 0.302 473 F C 1.541 177.297 175.800 -0.074 0.000 1.097 473 F CA 0.670 58.598 58.000 -0.121 0.000 1.330 473 F CB 0.161 39.096 39.000 -0.108 0.000 1.084 473 F HN 0.964 nan 8.300 nan 0.000 0.578 474 G N -0.047 108.763 108.800 0.016 0.000 2.320 474 G HA2 0.123 3.583 3.960 -0.835 0.000 0.297 474 G HA3 0.123 3.583 3.960 -0.835 0.000 0.297 474 G C -2.528 172.380 174.900 0.013 0.000 1.344 474 G CA -0.707 44.421 45.100 0.046 0.000 0.851 474 G HN -0.316 nan 8.290 nan 0.000 0.567 475 P HA 0.096 nan 4.420 nan 0.000 0.226 475 P C 1.301 178.625 177.300 0.041 0.000 1.153 475 P CA 1.500 64.643 63.100 0.071 0.000 0.777 475 P CB 0.258 31.995 31.700 0.061 0.000 0.794 476 G N 0.235 108.996 108.800 -0.066 0.000 2.510 476 G HA2 0.403 3.862 3.960 -0.835 0.000 0.280 476 G HA3 0.403 3.862 3.960 -0.835 0.000 0.280 476 G C -0.276 174.388 174.900 -0.393 0.000 1.386 476 G CA -0.776 44.211 45.100 -0.189 0.000 1.047 476 G HN 0.039 nan 8.290 nan 0.000 0.527 477 L N 1.221 122.134 121.223 -0.518 0.000 2.485 477 L HA 0.123 3.962 4.340 -0.835 0.000 0.275 477 L C -1.806 174.906 176.870 -0.263 0.000 1.207 477 L CA -1.136 53.351 54.840 -0.588 0.000 0.855 477 L CB 0.537 42.366 42.059 -0.384 0.000 1.114 477 L HN 0.242 nan 8.230 nan 0.000 0.485 478 P HA 0.036 nan 4.420 nan 0.000 0.266 478 P C -0.985 176.264 177.300 -0.086 0.000 1.193 478 P CA 0.038 63.099 63.100 -0.065 0.000 0.770 478 P CB 0.574 32.379 31.700 0.175 0.000 0.836 479 L N 4.307 125.363 121.223 -0.278 0.000 2.438 479 L HA 0.489 4.328 4.340 -0.835 0.000 0.270 479 L C -1.782 174.882 176.870 -0.343 0.000 0.972 479 L CA -0.537 54.197 54.840 -0.176 0.000 0.831 479 L CB 1.098 43.062 42.059 -0.160 0.000 1.273 479 L HN 0.217 nan 8.230 nan 0.000 0.405 480 Y N 2.710 122.940 120.300 -0.116 0.000 2.335 480 Y HA 0.778 4.827 4.550 -0.835 0.000 0.338 480 Y C 0.470 176.259 175.900 -0.185 0.000 0.977 480 Y CA -0.448 57.565 58.100 -0.146 0.000 1.114 480 Y CB 2.180 40.557 38.460 -0.139 0.000 1.182 480 Y HN 0.681 nan 8.280 nan 0.000 0.463 481 T N 0.545 115.079 114.554 -0.032 0.000 2.883 481 T HA 0.734 4.583 4.350 -0.835 0.000 0.296 481 T C -1.710 172.940 174.700 -0.084 0.000 1.117 481 T CA -0.889 61.160 62.100 -0.086 0.000 1.006 481 T CB 1.922 70.786 68.868 -0.006 0.000 1.191 481 T HN 0.407 nan 8.240 nan 0.000 0.508 482 L N 1.126 122.207 121.223 -0.235 0.000 2.346 482 L HA 0.807 4.647 4.340 -0.835 0.000 0.274 482 L C -1.386 175.228 176.870 -0.428 0.000 1.007 482 L CA -0.270 54.459 54.840 -0.184 0.000 0.818 482 L CB 1.540 43.507 42.059 -0.153 0.000 1.284 482 L HN 0.945 nan 8.230 nan 0.000 0.424 483 H N 0.817 119.623 119.070 -0.440 0.000 2.928 483 H HA 0.598 4.653 4.556 -0.835 0.000 0.371 483 H C -1.043 173.974 175.328 -0.519 0.000 1.186 483 H CA -0.676 55.017 56.048 -0.592 0.000 1.134 483 H CB 1.965 31.086 29.762 -1.068 0.000 1.824 483 H HN 0.501 nan 8.280 nan 0.000 0.554 484 S N 0.152 115.712 115.700 -0.234 0.000 2.442 484 S HA 0.221 4.190 4.470 -0.835 0.000 0.297 484 S C 0.650 175.080 174.600 -0.283 0.000 1.131 484 S CA -0.533 57.456 58.200 -0.351 0.000 1.092 484 S CB 0.698 63.796 63.200 -0.169 0.000 0.998 484 S HN 0.645 nan 8.310 nan 0.000 0.478 485 S N 3.136 118.645 115.700 -0.320 0.000 2.428 485 S HA -0.092 3.877 4.470 -0.835 0.000 0.230 485 S C 2.184 176.736 174.600 -0.080 0.000 1.014 485 S CA 1.200 59.374 58.200 -0.043 0.000 0.957 485 S CB -0.264 62.914 63.200 -0.037 0.000 0.784 485 S HN 0.923 nan 8.310 nan 0.000 0.499 486 S N 2.020 117.630 115.700 -0.149 0.000 2.359 486 S HA -0.117 3.852 4.470 -0.835 0.000 0.224 486 S C 1.775 176.352 174.600 -0.038 0.000 1.035 486 S CA 1.564 59.717 58.200 -0.079 0.000 1.018 486 S CB -0.413 62.734 63.200 -0.088 0.000 0.876 486 S HN 0.605 nan 8.310 nan 0.000 0.448 487 S N -0.650 115.026 115.700 -0.041 0.000 2.687 487 S HA 0.255 4.224 4.470 -0.835 0.000 0.247 487 S C -0.526 174.068 174.600 -0.009 0.000 1.050 487 S CA 0.124 58.314 58.200 -0.016 0.000 1.063 487 S CB 0.042 63.238 63.200 -0.007 0.000 1.039 487 S HN 0.244 nan 8.310 nan 0.000 0.580 488 D N 1.252 121.650 120.400 -0.003 0.000 2.848 488 D HA -0.102 4.038 4.640 -0.835 0.000 0.245 488 D C -0.431 175.893 176.300 0.040 0.000 1.122 488 D CA 1.106 55.130 54.000 0.041 0.000 0.769 488 D CB -0.890 39.925 40.800 0.025 0.000 1.025 488 D HN 0.569 nan 8.370 nan 0.000 0.423 489 K N 0.583 120.990 120.400 0.012 0.000 2.207 489 K HA 0.386 4.205 4.320 -0.835 0.000 0.255 489 K C 0.914 177.454 176.600 -0.100 0.000 0.941 489 K CA -0.653 55.623 56.287 -0.020 0.000 0.825 489 K CB 1.529 34.013 32.500 -0.027 0.000 1.119 489 K HN -0.150 nan 8.250 nan 0.000 0.430 490 E N 3.511 123.634 120.200 -0.129 0.000 2.339 490 E HA -0.207 3.643 4.350 -0.835 0.000 0.201 490 E C 0.791 177.160 176.600 -0.385 0.000 1.015 490 E CA 1.498 57.718 56.400 -0.301 0.000 0.841 490 E CB -0.246 29.363 29.700 -0.152 0.000 0.754 490 E HN 0.729 nan 8.360 nan 0.000 0.508 491 L N -1.126 119.964 121.223 -0.222 0.000 3.492 491 L HA -0.437 3.402 4.340 -0.835 0.000 0.053 491 L C 0.861 177.643 176.870 -0.147 0.000 4.364 491 L CA 3.280 58.027 54.840 -0.154 0.000 0.630 491 L CB -0.966 40.995 42.059 -0.164 0.000 3.505 491 L HN 0.642 nan 8.230 nan 0.000 0.720 492 R N -3.008 117.365 120.500 -0.213 0.000 2.780 492 R HA 0.598 4.437 4.340 -0.835 0.000 0.280 492 R C -1.659 174.522 176.300 -0.198 0.000 1.016 492 R CA -0.592 55.410 56.100 -0.164 0.000 0.854 492 R CB 1.029 31.263 30.300 -0.110 0.000 1.293 492 R HN -0.065 nan 8.270 nan 0.000 0.483 493 V N 2.596 122.419 119.914 -0.151 0.000 2.427 493 V HA 0.285 3.904 4.120 -0.835 0.000 0.286 493 V C 1.031 177.008 176.094 -0.196 0.000 1.034 493 V CA -0.588 61.623 62.300 -0.147 0.000 0.893 493 V CB 1.431 33.204 31.823 -0.085 0.000 0.982 493 V HN 0.654 nan 8.190 nan 0.000 0.452 494 L N 2.468 123.512 121.223 -0.297 0.000 2.298 494 L HA 0.384 4.224 4.340 -0.835 0.000 0.209 494 L C 0.550 177.301 176.870 -0.199 0.000 1.084 494 L CA 0.495 55.010 54.840 -0.542 0.000 0.816 494 L CB 0.233 41.496 42.059 -1.327 0.000 0.967 494 L HN 0.657 nan 8.230 nan 0.000 0.460 495 E N 0.468 120.642 120.200 -0.043 0.000 2.531 495 E HA 0.042 3.891 4.350 -0.835 0.000 0.323 495 E C -0.973 175.701 176.600 0.124 0.000 0.908 495 E CA -0.230 56.220 56.400 0.083 0.000 0.792 495 E CB 0.772 30.534 29.700 0.103 0.000 1.360 495 E HN 0.188 nan 8.360 nan 0.000 0.394 496 D N 3.733 124.171 120.400 0.063 0.000 2.363 496 D HA 0.053 4.192 4.640 -0.835 0.000 0.214 496 D C -0.350 175.971 176.300 0.035 0.000 1.093 496 D CA -0.213 53.811 54.000 0.039 0.000 0.837 496 D CB -0.055 40.748 40.800 0.006 0.000 0.948 496 D HN 0.469 nan 8.370 nan 0.000 0.507 497 N N 0.835 119.570 118.700 0.058 0.000 2.708 497 N HA -0.221 4.019 4.740 -0.835 0.000 0.249 497 N C 1.103 176.628 175.510 0.025 0.000 1.097 497 N CA 0.977 54.056 53.050 0.048 0.000 0.710 497 N CB -1.538 36.978 38.487 0.048 0.000 1.032 497 N HN 0.512 nan 8.380 nan 0.000 0.551 498 S N -1.304 114.408 115.700 0.020 0.000 2.442 498 S HA 0.007 3.976 4.470 -0.835 0.000 0.236 498 S C 2.034 176.650 174.600 0.027 0.000 1.007 498 S CA 0.857 59.066 58.200 0.015 0.000 0.965 498 S CB 0.008 63.215 63.200 0.012 0.000 0.773 498 S HN 0.498 nan 8.310 nan 0.000 0.504 499 A N 1.900 124.740 122.820 0.033 0.000 1.873 499 A HA 0.146 3.965 4.320 -0.835 0.000 0.215 499 A C 2.180 179.804 177.584 0.068 0.000 1.186 499 A CA 1.382 53.443 52.037 0.040 0.000 0.616 499 A CB -0.905 18.113 19.000 0.030 0.000 0.823 499 A HN 0.503 nan 8.150 nan 0.000 0.442 500 L N 0.702 121.974 121.223 0.082 0.000 1.970 500 L HA -0.217 3.622 4.340 -0.835 0.000 0.212 500 L C 2.130 179.072 176.870 0.121 0.000 1.071 500 L CA 2.781 57.703 54.840 0.136 0.000 0.751 500 L CB -0.837 41.303 42.059 0.134 0.000 0.889 500 L HN 0.588 nan 8.230 nan 0.000 0.432 501 D N -0.612 119.820 120.400 0.054 0.000 2.170 501 D HA -0.336 3.803 4.640 -0.835 0.000 0.193 501 D C 2.111 178.446 176.300 0.059 0.000 1.004 501 D CA 1.905 55.922 54.000 0.028 0.000 0.860 501 D CB 0.116 40.912 40.800 -0.006 0.000 0.931 501 D HN 0.297 nan 8.370 nan 0.000 0.448 502 K N 0.477 120.916 120.400 0.064 0.000 2.020 502 K HA -0.160 3.660 4.320 -0.835 0.000 0.212 502 K C 2.366 179.029 176.600 0.105 0.000 1.050 502 K CA 1.617 57.945 56.287 0.069 0.000 0.929 502 K CB -0.485 32.049 32.500 0.056 0.000 0.714 502 K HN 0.236 nan 8.250 nan 0.000 0.443 503 M N 0.099 119.790 119.600 0.153 0.000 2.213 503 M HA -0.092 3.887 4.480 -0.835 0.000 0.263 503 M C 2.062 178.548 176.300 0.310 0.000 1.062 503 M CA 1.376 56.822 55.300 0.243 0.000 1.105 503 M CB -0.322 32.468 32.600 0.316 0.000 1.385 503 M HN 0.080 nan 8.290 nan 0.000 0.417 504 L N 0.400 121.759 121.223 0.227 0.000 2.109 504 L HA -0.170 3.669 4.340 -0.835 0.000 0.207 504 L C 2.338 179.264 176.870 0.093 0.000 1.086 504 L CA 0.900 55.814 54.840 0.125 0.000 0.760 504 L CB -0.801 41.294 42.059 0.061 0.000 0.910 504 L HN 0.458 nan 8.230 nan 0.000 0.437 505 Q N -0.426 119.426 119.800 0.087 0.000 2.408 505 Q HA -0.108 3.731 4.340 -0.835 0.000 0.214 505 Q C 0.081 176.130 176.000 0.082 0.000 0.957 505 Q CA 0.523 56.367 55.803 0.069 0.000 0.965 505 Q CB -0.200 28.569 28.738 0.052 0.000 0.991 505 Q HN 0.388 nan 8.270 nan 0.000 0.505 506 D N 0.422 120.887 120.400 0.108 0.000 2.785 506 D HA 0.182 4.322 4.640 -0.835 0.000 0.324 506 D C -1.517 174.862 176.300 0.133 0.000 1.523 506 D CA -0.116 53.951 54.000 0.112 0.000 0.789 506 D CB 1.361 42.230 40.800 0.116 0.000 1.171 506 D HN 0.132 nan 8.370 nan 0.000 0.447 507 V N 0.823 120.808 119.914 0.117 0.000 2.950 507 V HA 0.254 3.873 4.120 -0.835 0.000 0.295 507 V C -1.504 174.640 176.094 0.083 0.000 1.297 507 V CA -0.598 61.769 62.300 0.113 0.000 0.962 507 V CB 2.178 34.076 31.823 0.126 0.000 1.081 507 V HN -0.032 nan 8.190 nan 0.000 0.432 508 Q N 6.292 126.142 119.800 0.083 0.000 2.381 508 Q HA 0.360 4.199 4.340 -0.835 0.000 0.243 508 Q C -0.291 175.743 176.000 0.057 0.000 1.154 508 Q CA -0.009 55.840 55.803 0.078 0.000 0.899 508 Q CB 0.660 29.427 28.738 0.049 0.000 1.396 508 Q HN 0.581 nan 8.270 nan 0.000 0.485 509 M N 4.082 123.704 119.600 0.038 0.000 2.288 509 M HA 0.388 4.367 4.480 -0.835 0.000 0.334 509 M C -1.998 174.294 176.300 -0.014 0.000 1.150 509 M CA -2.436 52.859 55.300 -0.007 0.000 1.118 509 M CB 0.315 32.903 32.600 -0.020 0.000 1.501 509 M HN 0.350 nan 8.290 nan 0.000 0.462 510 P HA 0.226 nan 4.420 nan 0.000 0.276 510 P C -0.921 176.331 177.300 -0.080 0.000 1.252 510 P CA -0.385 62.666 63.100 -0.081 0.000 0.802 510 P CB 0.745 32.369 31.700 -0.128 0.000 1.035 511 S N 0.101 115.738 115.700 -0.105 0.000 2.472 511 S HA 0.505 4.474 4.470 -0.835 0.000 0.303 511 S C -0.461 174.058 174.600 -0.135 0.000 1.099 511 S CA -0.782 57.358 58.200 -0.100 0.000 1.077 511 S CB 1.551 64.688 63.200 -0.106 0.000 1.031 511 S HN 0.508 nan 8.310 nan 0.000 0.487 512 K N 1.920 122.264 120.400 -0.094 0.000 2.244 512 K HA 0.473 4.292 4.320 -0.835 0.000 0.260 512 K C -1.141 175.410 176.600 -0.082 0.000 0.951 512 K CA -0.612 55.619 56.287 -0.094 0.000 0.826 512 K CB 1.175 33.640 32.500 -0.058 0.000 1.108 512 K HN 0.778 nan 8.250 nan 0.000 0.433 513 K N 4.924 125.262 120.400 -0.104 0.000 2.443 513 K HA 0.331 4.151 4.320 -0.835 0.000 0.252 513 K C -1.486 175.045 176.600 -0.115 0.000 0.933 513 K CA -0.773 55.457 56.287 -0.096 0.000 0.792 513 K CB 1.191 33.615 32.500 -0.126 0.000 1.185 513 K HN 0.462 nan 8.250 nan 0.000 0.425 514 L N 2.724 123.910 121.223 -0.062 0.000 2.360 514 L HA 0.535 4.375 4.340 -0.835 0.000 0.271 514 L C -0.381 176.421 176.870 -0.113 0.000 1.057 514 L CA 0.238 55.055 54.840 -0.038 0.000 0.803 514 L CB 1.534 43.686 42.059 0.155 0.000 1.207 514 L HN 0.783 nan 8.230 nan 0.000 0.445 515 D N -0.050 120.183 120.400 -0.279 0.000 2.764 515 D HA 0.427 4.566 4.640 -0.835 0.000 0.293 515 D C -1.669 174.389 176.300 -0.405 0.000 1.287 515 D CA -0.227 53.543 54.000 -0.382 0.000 0.768 515 D CB 1.925 42.482 40.800 -0.404 0.000 1.288 515 D HN 0.121 nan 8.370 nan 0.000 0.426 516 V N 1.274 120.976 119.914 -0.353 0.000 2.769 516 V HA 0.744 4.364 4.120 -0.835 0.000 0.312 516 V C 0.174 176.348 176.094 0.134 0.000 1.058 516 V CA -0.646 61.475 62.300 -0.298 0.000 0.952 516 V CB 1.699 33.097 31.823 -0.708 0.000 1.019 516 V HN 0.529 nan 8.190 nan 0.000 0.445 517 I N 0.164 120.857 120.570 0.206 0.000 2.994 517 I HA 0.654 4.324 4.170 -0.835 0.000 0.306 517 I C -1.033 175.158 176.117 0.124 0.000 1.195 517 I CA -0.876 60.516 61.300 0.153 0.000 1.001 517 I CB 2.531 40.582 38.000 0.085 0.000 1.244 517 I HN 0.543 nan 8.210 nan 0.000 0.437 518 N N 3.283 122.004 118.700 0.036 0.000 2.419 518 N HA 0.696 4.935 4.740 -0.835 0.000 0.277 518 N C -1.668 173.840 175.510 -0.004 0.000 1.006 518 N CA -0.490 52.569 53.050 0.016 0.000 0.923 518 N CB 1.310 39.780 38.487 -0.027 0.000 1.140 518 N HN 0.596 nan 8.380 nan 0.000 0.488 519 L N 3.320 124.568 121.223 0.043 0.000 2.381 519 L HA 0.350 4.189 4.340 -0.835 0.000 0.274 519 L C -0.384 176.270 176.870 -0.361 0.000 0.988 519 L CA -1.047 53.652 54.840 -0.234 0.000 0.824 519 L CB 1.547 43.448 42.059 -0.264 0.000 1.263 519 L HN 0.883 nan 8.230 nan 0.000 0.410 520 H N 1.154 120.272 119.070 0.081 0.000 2.458 520 H HA -0.222 3.833 4.556 -0.835 0.000 0.322 520 H C 1.029 176.372 175.328 0.025 0.000 1.038 520 H CA 0.730 56.800 56.048 0.037 0.000 1.120 520 H CB -1.740 28.031 29.762 0.014 0.000 1.489 520 H HN 1.014 nan 8.280 nan 0.000 0.399 521 G N -2.448 106.391 108.800 0.065 0.000 2.345 521 G HA2 -0.315 3.145 3.960 -0.835 0.000 0.218 521 G HA3 -0.315 3.145 3.960 -0.835 0.000 0.218 521 G C 0.561 175.439 174.900 -0.036 0.000 1.058 521 G CA 0.017 45.132 45.100 0.024 0.000 0.632 521 G HN 0.797 nan 8.290 nan 0.000 0.508 522 T N 2.897 117.409 114.554 -0.070 0.000 2.897 522 T HA 0.491 4.340 4.350 -0.835 0.000 0.294 522 T C 0.481 174.890 174.700 -0.485 0.000 1.004 522 T CA 0.404 62.306 62.100 -0.329 0.000 1.106 522 T CB 1.152 69.691 68.868 -0.549 0.000 0.949 522 T HN 0.708 nan 8.240 nan 0.000 0.520 523 K N 2.784 122.935 120.400 -0.415 0.000 2.297 523 K HA 0.483 4.302 4.320 -0.835 0.000 0.286 523 K C -1.141 175.244 176.600 -0.358 0.000 1.053 523 K CA -0.330 55.790 56.287 -0.278 0.000 0.940 523 K CB 0.415 32.821 32.500 -0.158 0.000 1.019 523 K HN 0.393 nan 8.250 nan 0.000 0.475 524 F N 1.661 121.664 119.950 0.088 0.000 2.561 524 F HA 0.441 4.468 4.527 -0.833 0.000 0.321 524 F C -0.553 175.337 175.800 0.150 0.000 1.065 524 F CA -1.061 57.053 58.000 0.190 0.000 0.934 524 F CB 1.374 40.596 39.000 0.371 0.000 1.215 524 F HN 0.477 nan 8.300 nan 0.000 0.471 525 W N 2.007 123.537 121.300 0.385 0.000 2.512 525 W HA 0.542 4.701 4.660 -0.835 0.000 0.335 525 W C -0.822 175.965 176.519 0.446 0.000 1.088 525 W CA -0.649 56.897 57.345 0.335 0.000 1.236 525 W CB 0.935 30.508 29.460 0.188 0.000 1.307 525 W HN 0.403 nan 8.180 nan 0.000 0.567 526 Y N -0.250 120.396 120.300 0.577 0.000 2.655 526 Y HA 0.699 4.748 4.550 -0.835 0.000 0.336 526 Y C -1.191 174.918 175.900 0.348 0.000 1.154 526 Y CA -1.775 56.648 58.100 0.539 0.000 1.055 526 Y CB 1.349 40.271 38.460 0.771 0.000 1.295 526 Y HN 0.551 nan 8.280 nan 0.000 0.465 527 Q N 2.154 122.162 119.800 0.346 0.000 2.340 527 Q HA 0.694 4.533 4.340 -0.835 0.000 0.276 527 Q C -2.015 174.061 176.000 0.126 0.000 1.048 527 Q CA -1.094 54.767 55.803 0.095 0.000 0.832 527 Q CB 3.142 31.936 28.738 0.093 0.000 1.373 527 Q HN 0.861 nan 8.270 nan 0.000 0.409 528 M N 2.771 122.379 119.600 0.013 0.000 2.326 528 M HA 0.465 4.445 4.480 -0.835 0.000 0.306 528 M C -1.190 175.042 176.300 -0.115 0.000 1.054 528 M CA -0.990 54.283 55.300 -0.046 0.000 0.922 528 M CB 2.174 34.736 32.600 -0.063 0.000 1.632 528 M HN 0.622 nan 8.290 nan 0.000 0.436 529 I N 5.221 125.719 120.570 -0.119 0.000 2.291 529 I HA 0.341 4.010 4.170 -0.835 0.000 0.290 529 I C -0.468 175.518 176.117 -0.218 0.000 1.050 529 I CA -0.312 60.898 61.300 -0.150 0.000 1.245 529 I CB 0.142 38.067 38.000 -0.125 0.000 1.405 529 I HN 0.621 nan 8.210 nan 0.000 0.478 530 L N 8.412 129.462 121.223 -0.289 0.000 2.289 530 L HA 0.437 4.276 4.340 -0.835 0.000 0.285 530 L C -2.077 174.626 176.870 -0.278 0.000 1.049 530 L CA -1.676 52.916 54.840 -0.413 0.000 0.804 530 L CB 0.800 42.439 42.059 -0.700 0.000 1.195 530 L HN 0.258 nan 8.230 nan 0.000 0.428 531 P HA 0.057 nan 4.420 nan 0.000 0.272 531 P C -2.520 174.773 177.300 -0.011 0.000 1.243 531 P CA -0.619 62.395 63.100 -0.142 0.000 0.803 531 P CB -0.142 31.439 31.700 -0.199 0.000 0.974 532 P HA 0.210 nan 4.420 nan 0.000 0.278 532 P C -0.928 176.555 177.300 0.305 0.000 1.258 532 P CA 0.023 63.219 63.100 0.160 0.000 0.811 532 P CB 0.037 31.809 31.700 0.119 0.000 1.063 533 H N -1.596 117.530 119.070 0.095 0.000 2.677 533 H HA -0.204 3.851 4.556 -0.834 0.000 0.321 533 H C -0.439 174.987 175.328 0.163 0.000 1.171 533 H CA -0.270 55.841 56.048 0.105 0.000 1.139 533 H CB -2.670 27.139 29.762 0.078 0.000 1.515 533 H HN 0.288 nan 8.280 nan 0.000 0.423 534 F N 2.050 122.070 119.950 0.117 0.000 2.484 534 F HA 0.078 4.104 4.527 -0.835 0.000 0.355 534 F C 0.629 176.520 175.800 0.152 0.000 1.170 534 F CA -0.448 57.621 58.000 0.115 0.000 1.025 534 F CB 0.129 39.112 39.000 -0.028 0.000 1.107 534 F HN 0.276 nan 8.300 nan 0.000 0.589 535 D N 5.035 125.304 120.400 -0.218 0.000 2.411 535 D HA 0.113 4.252 4.640 -0.835 0.000 0.225 535 D C 0.892 176.891 176.300 -0.502 0.000 1.156 535 D CA -0.272 53.568 54.000 -0.267 0.000 0.874 535 D CB 1.044 41.753 40.800 -0.152 0.000 1.034 535 D HN 0.374 nan 8.370 nan 0.000 0.502 536 K N 1.006 121.161 120.400 -0.408 0.000 2.281 536 K HA -0.124 3.696 4.320 -0.835 0.000 0.203 536 K C 1.916 178.441 176.600 -0.124 0.000 1.046 536 K CA 1.164 57.313 56.287 -0.230 0.000 0.938 536 K CB -0.092 32.423 32.500 0.026 0.000 0.737 536 K HN 0.447 nan 8.250 nan 0.000 0.458 537 S N -0.118 115.495 115.700 -0.145 0.000 2.481 537 S HA -0.064 3.905 4.470 -0.835 0.000 0.231 537 S C 0.890 175.385 174.600 -0.175 0.000 0.996 537 S CA 0.207 58.337 58.200 -0.117 0.000 0.942 537 S CB -0.053 63.090 63.200 -0.094 0.000 0.768 537 S HN 0.157 nan 8.310 nan 0.000 0.520 538 K N 1.561 121.782 120.400 -0.298 0.000 2.144 538 K HA 0.267 4.086 4.320 -0.835 0.000 0.270 538 K C -0.903 175.434 176.600 -0.438 0.000 1.005 538 K CA -0.431 55.599 56.287 -0.429 0.000 0.932 538 K CB 0.554 32.649 32.500 -0.674 0.000 1.021 538 K HN 0.108 nan 8.250 nan 0.000 0.462 539 K N 3.500 123.695 120.400 -0.341 0.000 2.263 539 K HA 0.184 4.003 4.320 -0.835 0.000 0.272 539 K C -1.274 175.200 176.600 -0.210 0.000 1.033 539 K CA -0.438 55.732 56.287 -0.195 0.000 0.884 539 K CB 0.823 33.246 32.500 -0.128 0.000 1.107 539 K HN 0.420 nan 8.250 nan 0.000 0.460 540 Y N 3.693 124.001 120.300 0.013 0.000 2.323 540 Y HA 0.228 4.277 4.550 -0.835 0.000 0.331 540 Y C -1.816 174.024 175.900 -0.099 0.000 1.092 540 Y CA -2.474 55.620 58.100 -0.011 0.000 1.150 540 Y CB 0.875 39.397 38.460 0.103 0.000 1.200 540 Y HN 0.468 nan 8.280 nan 0.000 0.472 541 P HA 0.021 nan 4.420 nan 0.000 0.271 541 P C -0.990 176.160 177.300 -0.249 0.000 1.218 541 P CA 0.014 62.841 63.100 -0.455 0.000 0.780 541 P CB 1.444 32.514 31.700 -1.050 0.000 0.901 542 L N 4.098 125.212 121.223 -0.182 0.000 2.365 542 L HA 0.535 4.374 4.340 -0.835 0.000 0.273 542 L C -1.296 175.706 176.870 0.221 0.000 1.000 542 L CA -1.113 53.753 54.840 0.043 0.000 0.819 542 L CB 1.713 43.814 42.059 0.070 0.000 1.284 542 L HN 0.361 nan 8.230 nan 0.000 0.418 543 L N 5.571 126.946 121.223 0.254 0.000 2.356 543 L HA 0.483 4.322 4.340 -0.835 0.000 0.277 543 L C -1.007 176.067 176.870 0.339 0.000 0.996 543 L CA -0.739 54.321 54.840 0.368 0.000 0.822 543 L CB 1.977 44.226 42.059 0.317 0.000 1.256 543 L HN 0.502 nan 8.230 nan 0.000 0.413 544 I N 3.994 124.813 120.570 0.416 0.000 2.321 544 I HA 0.308 3.978 4.170 -0.835 0.000 0.291 544 I C 0.091 176.394 176.117 0.310 0.000 0.998 544 I CA -0.244 61.274 61.300 0.363 0.000 1.227 544 I CB 1.458 39.721 38.000 0.438 0.000 1.368 544 I HN 0.652 nan 8.210 nan 0.000 0.466 545 E N 5.701 126.038 120.200 0.229 0.000 2.134 545 E HA 0.497 4.347 4.350 -0.835 0.000 0.278 545 E C -1.430 175.182 176.600 0.019 0.000 0.959 545 E CA -0.415 55.997 56.400 0.020 0.000 0.783 545 E CB 1.822 31.599 29.700 0.128 0.000 1.095 545 E HN 0.439 nan 8.360 nan 0.000 0.399 546 V N 5.698 125.565 119.914 -0.078 0.000 2.735 546 V HA 0.346 3.965 4.120 -0.835 0.000 0.310 546 V C -1.293 174.868 176.094 0.112 0.000 1.061 546 V CA -0.337 61.999 62.300 0.061 0.000 0.913 546 V CB 1.553 33.428 31.823 0.087 0.000 1.005 546 V HN 0.909 nan 8.190 nan 0.000 0.428 547 Y N 5.543 125.882 120.300 0.066 0.000 2.891 547 Y HA 0.597 4.645 4.550 -0.837 0.000 0.228 547 Y C 1.615 177.628 175.900 0.188 0.000 1.000 547 Y CA 1.476 59.648 58.100 0.120 0.000 1.491 547 Y CB -0.027 38.486 38.460 0.089 0.000 1.394 547 Y HN 1.251 nan 8.280 nan 0.000 0.477 548 A N 0.713 123.596 122.820 0.105 0.000 2.872 548 A HA -0.116 3.703 4.320 -0.835 0.000 0.273 548 A C 0.764 178.120 177.584 -0.380 0.000 1.442 548 A CA 0.892 52.919 52.037 -0.016 0.000 0.801 548 A CB -2.299 16.764 19.000 0.104 0.000 1.031 548 A HN 0.908 nan 8.150 nan 0.000 0.582 549 G N -0.619 107.686 108.800 -0.824 0.000 2.504 549 G HA2 0.604 4.063 3.960 -0.835 0.000 0.288 549 G HA3 0.604 4.063 3.960 -0.835 0.000 0.288 549 G C -2.054 172.468 174.900 -0.631 0.000 1.182 549 G CA -1.200 43.002 45.100 -1.496 0.000 0.894 549 G HN 0.313 nan 8.290 nan 0.000 0.521 550 P HA -0.073 nan 4.420 nan 0.000 0.263 550 P C 0.893 178.018 177.300 -0.292 0.000 1.175 550 P CA 0.321 63.087 63.100 -0.556 0.000 0.761 550 P CB 0.675 31.608 31.700 -1.278 0.000 0.794 551 C N 1.990 121.203 119.300 -0.145 0.000 4.252 551 C HA -0.182 3.777 4.460 -0.835 0.000 0.285 551 C C 1.281 176.314 174.990 0.073 0.000 1.466 551 C CA 1.309 60.246 59.018 -0.134 0.000 1.946 551 C CB -2.628 24.922 27.740 -0.317 0.000 1.366 551 C HN 0.837 nan 8.230 nan 0.000 0.783 552 S N -0.116 115.689 115.700 0.176 0.000 2.608 552 S HA 0.443 4.413 4.470 -0.835 0.000 0.261 552 S C -0.423 174.348 174.600 0.285 0.000 1.314 552 S CA 0.529 58.935 58.200 0.344 0.000 0.992 552 S CB 1.305 64.805 63.200 0.500 0.000 0.935 552 S HN 0.887 nan 8.310 nan 0.000 0.564 553 Q N -0.278 119.707 119.800 0.308 0.000 2.759 553 Q HA 0.269 4.108 4.340 -0.835 0.000 0.225 553 Q C -0.658 175.455 176.000 0.188 0.000 0.823 553 Q CA -0.544 55.423 55.803 0.274 0.000 0.828 553 Q CB 0.677 29.647 28.738 0.388 0.000 1.425 553 Q HN 0.619 nan 8.270 nan 0.000 0.449 554 K N 1.314 121.817 120.400 0.172 0.000 2.393 554 K HA 0.190 4.010 4.320 -0.835 0.000 0.193 554 K C -0.128 176.550 176.600 0.131 0.000 1.026 554 K CA 0.280 56.651 56.287 0.139 0.000 1.064 554 K CB 0.913 33.514 32.500 0.168 0.000 0.833 554 K HN 0.335 nan 8.250 nan 0.000 0.521 555 V N 3.696 123.698 119.914 0.146 0.000 2.313 555 V HA 0.143 3.762 4.120 -0.835 0.000 0.278 555 V C -0.559 175.594 176.094 0.098 0.000 1.017 555 V CA -0.727 61.661 62.300 0.146 0.000 0.823 555 V CB 1.181 33.138 31.823 0.224 0.000 1.010 555 V HN 0.286 nan 8.190 nan 0.000 0.443 556 D N 2.362 122.808 120.400 0.077 0.000 2.825 556 D HA 0.328 4.467 4.640 -0.835 0.000 0.327 556 D C 0.555 176.900 176.300 0.075 0.000 1.277 556 D CA 0.107 54.164 54.000 0.094 0.000 0.950 556 D CB 1.407 42.295 40.800 0.148 0.000 1.438 556 D HN 0.319 nan 8.370 nan 0.000 0.526 557 T N -2.645 111.998 114.554 0.148 0.000 3.092 557 T HA 0.297 4.146 4.350 -0.835 0.000 0.258 557 T C 0.591 175.312 174.700 0.035 0.000 1.031 557 T CA -0.309 61.857 62.100 0.111 0.000 0.925 557 T CB -0.493 68.473 68.868 0.163 0.000 1.036 557 T HN 0.297 nan 8.240 nan 0.000 0.544 558 V N 2.807 122.613 119.914 -0.180 0.000 2.788 558 V HA 0.177 3.797 4.120 -0.835 0.000 0.307 558 V C 0.300 176.373 176.094 -0.034 0.000 1.069 558 V CA -0.491 61.648 62.300 -0.270 0.000 1.173 558 V CB -0.386 31.133 31.823 -0.507 0.000 0.925 558 V HN 0.548 nan 8.190 nan 0.000 0.492 559 F N 6.127 126.032 119.950 -0.075 0.000 2.396 559 F HA 0.627 4.654 4.527 -0.833 0.000 0.343 559 F C 0.418 176.202 175.800 -0.027 0.000 1.104 559 F CA -0.408 57.568 58.000 -0.040 0.000 1.161 559 F CB 0.518 39.511 39.000 -0.011 0.000 1.146 559 F HN 0.427 nan 8.300 nan 0.000 0.522 560 R N 5.680 125.627 120.500 -0.922 0.000 2.604 560 R HA 0.480 4.320 4.340 -0.835 0.000 0.281 560 R C -2.008 173.817 176.300 -0.792 0.000 1.020 560 R CA -1.205 54.491 56.100 -0.674 0.000 0.899 560 R CB 1.953 32.069 30.300 -0.308 0.000 1.205 560 R HN 0.500 nan 8.270 nan 0.000 0.450 561 L N 2.700 123.650 121.223 -0.455 0.000 2.283 561 L HA 0.356 4.195 4.340 -0.835 0.000 0.281 561 L C -0.009 176.829 176.870 -0.053 0.000 1.033 561 L CA 0.226 54.891 54.840 -0.292 0.000 0.848 561 L CB 0.886 42.959 42.059 0.024 0.000 1.226 561 L HN 0.803 nan 8.230 nan 0.000 0.429 562 S N 1.930 117.503 115.700 -0.211 0.000 2.874 562 S HA 0.326 4.295 4.470 -0.835 0.000 0.318 562 S C 0.491 174.756 174.600 -0.558 0.000 1.109 562 S CA -0.628 57.382 58.200 -0.317 0.000 0.878 562 S CB 0.487 63.601 63.200 -0.144 0.000 1.307 562 S HN 0.510 nan 8.310 nan 0.000 0.592 563 W N 1.248 122.013 121.300 -0.892 0.000 2.388 563 W HA 0.184 4.347 4.660 -0.829 0.000 0.294 563 W C 2.366 178.843 176.519 -0.070 0.000 1.212 563 W CA 1.744 58.761 57.345 -0.548 0.000 1.271 563 W CB -1.060 28.207 29.460 -0.322 0.000 1.126 563 W HN 0.807 nan 8.180 nan 0.000 0.535 564 A N -0.172 122.601 122.820 -0.078 0.000 1.933 564 A HA -0.190 3.630 4.320 -0.835 0.000 0.218 564 A C 1.950 179.416 177.584 -0.198 0.000 1.175 564 A CA 2.461 54.383 52.037 -0.192 0.000 0.628 564 A CB -1.297 17.674 19.000 -0.048 0.000 0.814 564 A HN 0.289 nan 8.150 nan 0.000 0.444 565 T N -0.963 113.480 114.554 -0.185 0.000 2.665 565 T HA -0.256 3.593 4.350 -0.835 0.000 0.268 565 T C 1.816 176.490 174.700 -0.043 0.000 1.035 565 T CA 1.906 63.851 62.100 -0.258 0.000 1.151 565 T CB -0.540 67.947 68.868 -0.636 0.000 0.862 565 T HN 0.704 nan 8.240 nan 0.000 0.438 566 Y N 2.075 122.431 120.300 0.093 0.000 2.181 566 Y HA -0.014 4.035 4.550 -0.835 0.000 0.288 566 Y C 1.938 177.850 175.900 0.019 0.000 1.146 566 Y CA 0.861 59.093 58.100 0.219 0.000 1.164 566 Y CB -0.762 37.861 38.460 0.272 0.000 0.982 566 Y HN 0.145 nan 8.280 nan 0.000 0.515 567 L N 0.212 121.010 121.223 -0.708 0.000 2.046 567 L HA -0.175 3.664 4.340 -0.835 0.000 0.208 567 L C 2.855 179.488 176.870 -0.395 0.000 1.077 567 L CA 1.233 55.623 54.840 -0.750 0.000 0.747 567 L CB -1.117 40.554 42.059 -0.646 0.000 0.896 567 L HN 0.378 nan 8.230 nan 0.000 0.432 568 A N -0.644 122.012 122.820 -0.274 0.000 1.832 568 A HA -0.229 3.590 4.320 -0.835 0.000 0.214 568 A C 2.534 180.035 177.584 -0.138 0.000 1.200 568 A CA 1.947 53.867 52.037 -0.196 0.000 0.610 568 A CB -1.002 17.889 19.000 -0.182 0.000 0.842 568 A HN 0.332 nan 8.150 nan 0.000 0.444 569 S N -1.302 114.344 115.700 -0.091 0.000 2.369 569 S HA -0.188 3.782 4.470 -0.835 0.000 0.225 569 S C 1.992 176.596 174.600 0.007 0.000 1.043 569 S CA 2.622 60.817 58.200 -0.008 0.000 1.074 569 S CB -0.551 62.705 63.200 0.092 0.000 0.962 569 S HN 0.613 nan 8.310 nan 0.000 0.433 570 T N 0.785 115.338 114.554 -0.002 0.000 3.033 570 T HA 0.196 4.045 4.350 -0.835 0.000 0.248 570 T C 1.464 176.142 174.700 -0.037 0.000 1.040 570 T CA 0.516 62.635 62.100 0.032 0.000 1.133 570 T CB -0.097 68.897 68.868 0.210 0.000 0.895 570 T HN 0.276 nan 8.240 nan 0.000 0.465 571 E N 1.354 121.440 120.200 -0.189 0.000 2.479 571 E HA 0.162 4.011 4.350 -0.835 0.000 0.193 571 E C 0.047 176.619 176.600 -0.046 0.000 1.049 571 E CA -0.103 56.221 56.400 -0.128 0.000 0.870 571 E CB -0.430 29.117 29.700 -0.255 0.000 0.944 571 E HN 0.529 nan 8.360 nan 0.000 0.492 572 N N 0.571 119.240 118.700 -0.052 0.000 2.725 572 N HA -0.193 4.046 4.740 -0.835 0.000 0.251 572 N C -0.900 174.619 175.510 0.015 0.000 1.031 572 N CA 0.194 53.253 53.050 0.015 0.000 0.720 572 N CB -0.990 37.593 38.487 0.159 0.000 0.930 572 N HN 0.184 nan 8.380 nan 0.000 0.543 573 I N 1.056 121.576 120.570 -0.084 0.000 2.433 573 I HA 0.379 4.048 4.170 -0.835 0.000 0.292 573 I C 0.421 176.463 176.117 -0.125 0.000 1.001 573 I CA -0.852 60.411 61.300 -0.062 0.000 1.119 573 I CB 1.521 39.509 38.000 -0.020 0.000 1.289 573 I HN 0.026 nan 8.210 nan 0.000 0.438 574 I N 6.442 126.951 120.570 -0.101 0.000 2.428 574 I HA 0.247 3.916 4.170 -0.835 0.000 0.289 574 I C -0.404 175.691 176.117 -0.036 0.000 1.019 574 I CA -0.462 60.769 61.300 -0.114 0.000 1.351 574 I CB 1.295 39.261 38.000 -0.057 0.000 1.412 574 I HN 0.183 nan 8.210 nan 0.000 0.513 575 V N 5.816 125.701 119.914 -0.049 0.000 2.487 575 V HA 0.790 4.409 4.120 -0.835 0.000 0.298 575 V C 0.049 176.157 176.094 0.024 0.000 1.028 575 V CA -0.472 61.842 62.300 0.023 0.000 0.860 575 V CB 1.407 33.235 31.823 0.009 0.000 0.991 575 V HN 0.866 nan 8.190 nan 0.000 0.427 576 A N 3.426 126.289 122.820 0.071 0.000 2.479 576 A HA 0.978 4.797 4.320 -0.835 0.000 0.296 576 A C -0.498 177.197 177.584 0.184 0.000 1.121 576 A CA -0.595 51.476 52.037 0.057 0.000 0.743 576 A CB 2.166 21.065 19.000 -0.169 0.000 1.323 576 A HN 0.695 nan 8.150 nan 0.000 0.415 577 S N -0.438 115.415 115.700 0.254 0.000 2.549 577 S HA 0.753 4.723 4.470 -0.835 0.000 0.280 577 S C -1.619 173.291 174.600 0.516 0.000 1.109 577 S CA -0.283 58.115 58.200 0.331 0.000 0.905 577 S CB 1.352 64.693 63.200 0.234 0.000 1.081 577 S HN 0.833 nan 8.310 nan 0.000 0.477 578 F N 1.997 122.144 119.950 0.328 0.000 2.547 578 F HA 0.491 4.517 4.527 -0.835 0.000 0.316 578 F C -1.454 174.493 175.800 0.245 0.000 1.121 578 F CA -0.888 57.322 58.000 0.350 0.000 0.911 578 F CB 1.427 40.620 39.000 0.323 0.000 1.179 578 F HN 0.377 nan 8.300 nan 0.000 0.443 579 D N 4.640 124.696 120.400 -0.573 0.000 2.443 579 D HA 0.395 4.534 4.640 -0.835 0.000 0.221 579 D C 0.387 176.125 176.300 -0.937 0.000 1.097 579 D CA 0.163 53.901 54.000 -0.436 0.000 0.865 579 D CB 1.440 42.214 40.800 -0.045 0.000 1.034 579 D HN 0.765 nan 8.370 nan 0.000 0.511 580 G N 1.414 109.742 108.800 -0.787 0.000 2.849 580 G HA2 0.284 3.743 3.960 -0.835 0.000 0.174 580 G HA3 0.284 3.743 3.960 -0.835 0.000 0.174 580 G C 0.080 174.784 174.900 -0.327 0.000 1.370 580 G CA -0.683 43.917 45.100 -0.834 0.000 1.040 580 G HN 0.282 nan 8.290 nan 0.000 0.582 581 R N -0.447 119.972 120.500 -0.134 0.000 2.537 581 R HA 0.388 4.227 4.340 -0.835 0.000 0.280 581 R C 1.178 177.559 176.300 0.135 0.000 1.058 581 R CA 1.334 57.530 56.100 0.161 0.000 1.057 581 R CB 0.620 31.096 30.300 0.292 0.000 0.973 581 R HN 1.010 nan 8.270 nan 0.000 0.438 582 G N 1.156 110.040 108.800 0.139 0.000 2.279 582 G HA2 -0.352 3.107 3.960 -0.835 0.000 0.223 582 G HA3 -0.352 3.107 3.960 -0.835 0.000 0.223 582 G C 0.325 175.240 174.900 0.025 0.000 1.015 582 G CA 0.166 45.314 45.100 0.081 0.000 0.621 582 G HN 0.739 nan 8.290 nan 0.000 0.506 583 S N 0.457 116.172 115.700 0.026 0.000 2.641 583 S HA 0.601 4.570 4.470 -0.835 0.000 0.251 583 S C 0.874 175.463 174.600 -0.018 0.000 1.332 583 S CA 0.896 59.106 58.200 0.018 0.000 0.968 583 S CB 1.228 64.456 63.200 0.046 0.000 0.987 583 S HN 1.911 nan 8.310 nan 0.000 0.587 584 G N -2.211 106.551 108.800 -0.064 0.000 3.140 584 G HA2 0.524 3.983 3.960 -0.835 0.000 0.271 584 G HA3 0.524 3.983 3.960 -0.835 0.000 0.271 584 G C -1.325 173.463 174.900 -0.186 0.000 1.370 584 G CA -0.967 43.963 45.100 -0.284 0.000 1.014 584 G HN 0.913 nan 8.290 nan 0.000 0.541 585 Y N -1.641 118.680 120.300 0.035 0.000 3.477 585 Y HA -0.192 3.857 4.550 -0.835 0.000 0.216 585 Y C 1.152 177.089 175.900 0.061 0.000 1.296 585 Y CA 1.003 59.127 58.100 0.041 0.000 1.535 585 Y CB -2.202 36.294 38.460 0.061 0.000 1.482 585 Y HN 0.573 nan 8.280 nan 0.000 0.597 586 Q N -0.778 119.069 119.800 0.079 0.000 1.930 586 Q HA 0.455 4.294 4.340 -0.835 0.000 0.190 586 Q C 0.768 176.690 176.000 -0.131 0.000 0.766 586 Q CA 0.174 56.049 55.803 0.120 0.000 0.931 586 Q CB 1.839 30.665 28.738 0.148 0.000 1.227 586 Q HN 0.716 nan 8.270 nan 0.000 0.417 587 G N 0.772 109.360 108.800 -0.353 0.000 2.617 587 G HA2 -0.160 3.299 3.960 -0.835 0.000 0.686 587 G HA3 -0.160 3.299 3.960 -0.835 0.000 0.686 587 G C -0.591 173.999 174.900 -0.518 0.000 1.214 587 G CA -0.489 44.162 45.100 -0.747 0.000 0.796 587 G HN 0.042 nan 8.290 nan 0.000 0.654 588 D N 0.160 120.215 120.400 -0.574 0.000 2.144 588 D HA -0.048 4.092 4.640 -0.835 0.000 0.199 588 D C 2.447 178.508 176.300 -0.398 0.000 0.984 588 D CA 1.526 55.142 54.000 -0.640 0.000 0.834 588 D CB 0.026 40.434 40.800 -0.653 0.000 0.955 588 D HN 0.569 nan 8.370 nan 0.000 0.465 589 K N 0.122 120.350 120.400 -0.287 0.000 2.001 589 K HA -0.147 3.672 4.320 -0.835 0.000 0.214 589 K C 2.220 178.790 176.600 -0.050 0.000 1.050 589 K CA 1.004 57.212 56.287 -0.131 0.000 0.934 589 K CB -0.217 32.215 32.500 -0.113 0.000 0.718 589 K HN 0.191 nan 8.250 nan 0.000 0.443 590 I N 0.611 121.148 120.570 -0.055 0.000 2.202 590 I HA -0.280 3.390 4.170 -0.835 0.000 0.242 590 I C 2.675 178.824 176.117 0.055 0.000 1.091 590 I CA 1.090 62.434 61.300 0.073 0.000 1.368 590 I CB -0.131 37.943 38.000 0.123 0.000 1.058 590 I HN 0.300 nan 8.210 nan 0.000 0.410 591 M N -0.019 119.537 119.600 -0.074 0.000 2.132 591 M HA -0.227 3.752 4.480 -0.835 0.000 0.263 591 M C 1.958 178.282 176.300 0.040 0.000 1.065 591 M CA 1.926 57.187 55.300 -0.066 0.000 1.122 591 M CB -0.343 32.123 32.600 -0.223 0.000 1.365 591 M HN 0.248 nan 8.290 nan 0.000 0.411 592 H N -0.397 118.563 119.070 -0.183 0.000 2.556 592 H HA 0.126 4.181 4.556 -0.835 0.000 0.268 592 H C 1.908 177.236 175.328 0.000 0.000 0.996 592 H CA 0.086 56.006 56.048 -0.213 0.000 1.157 592 H CB 0.184 29.727 29.762 -0.364 0.000 1.355 592 H HN 0.548 nan 8.280 nan 0.000 0.597 593 A N 1.612 124.539 122.820 0.179 0.000 1.892 593 A HA -0.197 3.623 4.320 -0.835 0.000 0.218 593 A C 2.132 179.813 177.584 0.162 0.000 1.188 593 A CA 1.647 53.820 52.037 0.227 0.000 0.631 593 A CB -0.727 18.457 19.000 0.307 0.000 0.822 593 A HN 0.598 nan 8.150 nan 0.000 0.447 594 I N -2.420 118.213 120.570 0.104 0.000 3.749 594 I HA 0.086 3.755 4.170 -0.835 0.000 0.314 594 I C 0.501 176.590 176.117 -0.047 0.000 1.267 594 I CA -0.292 60.965 61.300 -0.072 0.000 1.169 594 I CB -0.778 37.187 38.000 -0.060 0.000 1.009 594 I HN 0.272 nan 8.210 nan 0.000 0.444 595 N N 3.065 121.815 118.700 0.083 0.000 2.357 595 N HA -0.116 4.123 4.740 -0.835 0.000 0.257 595 N C 0.292 175.764 175.510 -0.064 0.000 1.250 595 N CA 0.482 53.601 53.050 0.115 0.000 0.862 595 N CB 0.336 38.877 38.487 0.090 0.000 1.066 595 N HN 0.440 nan 8.380 nan 0.000 0.468 596 R N 0.328 120.770 120.500 -0.098 0.000 4.016 596 R HA -0.208 3.631 4.340 -0.835 0.000 0.385 596 R C -0.171 175.993 176.300 -0.227 0.000 1.158 596 R CA 1.698 57.683 56.100 -0.191 0.000 1.117 596 R CB -1.325 28.849 30.300 -0.210 0.000 1.635 596 R HN 0.796 nan 8.270 nan 0.000 0.560 597 R N 0.039 120.433 120.500 -0.177 0.000 2.648 597 R HA 0.284 4.124 4.340 -0.835 0.000 0.341 597 R C -0.346 175.894 176.300 -0.100 0.000 1.154 597 R CA -0.674 55.386 56.100 -0.066 0.000 1.228 597 R CB 0.235 30.485 30.300 -0.083 0.000 1.311 597 R HN -0.042 nan 8.270 nan 0.000 0.659 598 L N 0.929 122.060 121.223 -0.153 0.000 2.514 598 L HA 0.183 4.022 4.340 -0.835 0.000 0.280 598 L C 1.237 178.194 176.870 0.145 0.000 1.223 598 L CA 1.587 56.386 54.840 -0.069 0.000 0.864 598 L CB 0.510 42.360 42.059 -0.348 0.000 1.118 598 L HN 0.846 nan 8.230 nan 0.000 0.494 599 G N 0.795 109.766 108.800 0.286 0.000 2.194 599 G HA2 -0.306 3.153 3.960 -0.835 0.000 0.236 599 G HA3 -0.306 3.153 3.960 -0.835 0.000 0.236 599 G C 0.574 175.529 174.900 0.092 0.000 0.987 599 G CA 0.533 45.781 45.100 0.248 0.000 0.635 599 G HN 0.758 nan 8.290 nan 0.000 0.520 600 T N -2.216 112.372 114.554 0.057 0.000 3.538 600 T HA 0.456 4.305 4.350 -0.835 0.000 0.204 600 T C 1.801 176.628 174.700 0.211 0.000 0.870 600 T CA 1.192 63.322 62.100 0.051 0.000 1.727 600 T CB -0.306 68.486 68.868 -0.126 0.000 1.685 600 T HN 0.108 nan 8.240 nan 0.000 0.454 601 F N 3.488 123.483 119.950 0.075 0.000 2.095 601 F HA 0.007 4.034 4.527 -0.834 0.000 0.298 601 F C 2.866 178.715 175.800 0.082 0.000 1.104 601 F CA 1.233 59.275 58.000 0.071 0.000 1.232 601 F CB -1.197 37.840 39.000 0.061 0.000 0.987 601 F HN 0.534 nan 8.300 nan 0.000 0.475 602 E N 1.097 121.460 120.200 0.272 0.000 2.118 602 E HA -0.157 3.692 4.350 -0.835 0.000 0.195 602 E C 2.127 178.830 176.600 0.172 0.000 0.992 602 E CA 1.703 58.219 56.400 0.193 0.000 0.804 602 E CB -1.163 28.633 29.700 0.160 0.000 0.741 602 E HN 0.285 nan 8.360 nan 0.000 0.458 603 V N 1.771 121.773 119.914 0.146 0.000 2.244 603 V HA -0.232 3.388 4.120 -0.835 0.000 0.244 603 V C 2.462 178.611 176.094 0.091 0.000 1.042 603 V CA 2.196 64.541 62.300 0.075 0.000 1.006 603 V CB -0.720 31.105 31.823 0.003 0.000 0.641 603 V HN 0.212 nan 8.190 nan 0.000 0.446 604 E N 0.320 120.595 120.200 0.125 0.000 2.049 604 E HA -0.301 3.549 4.350 -0.835 0.000 0.198 604 E C 1.965 178.627 176.600 0.102 0.000 1.007 604 E CA 1.888 58.357 56.400 0.116 0.000 0.809 604 E CB -0.322 29.471 29.700 0.155 0.000 0.749 604 E HN 0.595 nan 8.360 nan 0.000 0.450 605 D N 0.126 120.611 120.400 0.142 0.000 2.158 605 D HA -0.172 3.967 4.640 -0.835 0.000 0.197 605 D C 2.029 178.358 176.300 0.048 0.000 0.995 605 D CA 0.939 55.005 54.000 0.110 0.000 0.846 605 D CB -0.048 40.858 40.800 0.177 0.000 0.941 605 D HN 0.103 nan 8.370 nan 0.000 0.456 606 Q N -0.188 119.692 119.800 0.134 0.000 2.079 606 Q HA -0.070 3.769 4.340 -0.835 0.000 0.200 606 Q C 2.539 178.597 176.000 0.098 0.000 0.974 606 Q CA 0.692 56.586 55.803 0.151 0.000 0.840 606 Q CB -0.178 28.663 28.738 0.171 0.000 0.898 606 Q HN 0.446 nan 8.270 nan 0.000 0.430 607 I N 0.683 121.322 120.570 0.115 0.000 2.142 607 I HA -0.281 3.388 4.170 -0.835 0.000 0.240 607 I C 2.510 178.606 176.117 -0.035 0.000 1.078 607 I CA 1.370 62.760 61.300 0.151 0.000 1.343 607 I CB -0.399 37.676 38.000 0.126 0.000 1.046 607 I HN 0.255 nan 8.210 nan 0.000 0.405 608 E N 1.186 121.327 120.200 -0.097 0.000 2.097 608 E HA -0.271 3.578 4.350 -0.835 0.000 0.196 608 E C 2.202 178.571 176.600 -0.386 0.000 1.000 608 E CA 1.563 57.846 56.400 -0.195 0.000 0.804 608 E CB -0.046 29.560 29.700 -0.157 0.000 0.740 608 E HN 0.512 nan 8.360 nan 0.000 0.454 609 A N -0.199 122.271 122.820 -0.583 0.000 1.968 609 A HA -0.094 3.726 4.320 -0.835 0.000 0.217 609 A C 2.319 179.256 177.584 -1.077 0.000 1.169 609 A CA 1.615 53.020 52.037 -1.054 0.000 0.638 609 A CB -0.600 17.393 19.000 -1.678 0.000 0.812 609 A HN 0.304 nan 8.150 nan 0.000 0.446 610 T N -0.236 114.026 114.554 -0.488 0.000 2.821 610 T HA -0.116 3.733 4.350 -0.835 0.000 0.267 610 T C 2.024 176.562 174.700 -0.270 0.000 1.046 610 T CA 1.283 63.264 62.100 -0.197 0.000 1.139 610 T CB -0.221 68.626 68.868 -0.035 0.000 0.871 610 T HN 0.466 nan 8.240 nan 0.000 0.454 611 R N 1.082 121.399 120.500 -0.305 0.000 2.097 611 R HA -0.133 3.706 4.340 -0.835 0.000 0.236 611 R C 2.767 178.913 176.300 -0.258 0.000 1.135 611 R CA 1.671 57.621 56.100 -0.250 0.000 0.934 611 R CB -0.404 29.768 30.300 -0.213 0.000 0.846 611 R HN 0.535 nan 8.270 nan 0.000 0.431 612 Q N -0.329 119.254 119.800 -0.362 0.000 2.077 612 Q HA -0.199 3.640 4.340 -0.835 0.000 0.206 612 Q C 2.080 177.950 176.000 -0.216 0.000 0.989 612 Q CA 1.639 57.248 55.803 -0.323 0.000 0.853 612 Q CB -0.263 28.211 28.738 -0.439 0.000 0.907 612 Q HN 0.264 nan 8.270 nan 0.000 0.418 613 F N 0.881 120.685 119.950 -0.244 0.000 2.161 613 F HA -0.199 3.827 4.527 -0.835 0.000 0.300 613 F C 2.779 178.454 175.800 -0.208 0.000 1.089 613 F CA 1.424 59.293 58.000 -0.218 0.000 1.282 613 F CB -1.200 37.696 39.000 -0.174 0.000 1.010 613 F HN 0.114 nan 8.300 nan 0.000 0.485 614 S N -0.394 115.289 115.700 -0.029 0.000 2.453 614 S HA -0.101 3.868 4.470 -0.835 0.000 0.231 614 S C 1.914 176.433 174.600 -0.135 0.000 1.005 614 S CA 0.402 58.543 58.200 -0.099 0.000 0.949 614 S CB -0.254 62.868 63.200 -0.131 0.000 0.774 614 S HN 0.215 nan 8.310 nan 0.000 0.510 615 K N 1.366 121.686 120.400 -0.134 0.000 2.026 615 K HA 0.097 3.917 4.320 -0.835 0.000 0.208 615 K C 1.160 177.662 176.600 -0.165 0.000 1.048 615 K CA 0.583 56.791 56.287 -0.132 0.000 0.929 615 K CB -0.820 31.610 32.500 -0.117 0.000 0.713 615 K HN 0.526 nan 8.250 nan 0.000 0.439 616 M N 0.080 119.549 119.600 -0.218 0.000 2.233 616 M HA -0.073 3.906 4.480 -0.835 0.000 0.307 616 M C 1.686 177.719 176.300 -0.445 0.000 1.026 616 M CA 0.682 55.757 55.300 -0.375 0.000 1.109 616 M CB 0.074 32.288 32.600 -0.642 0.000 1.463 616 M HN 0.219 nan 8.290 nan 0.000 0.436 617 G N 1.159 109.713 108.800 -0.411 0.000 2.494 617 G HA2 -0.054 3.405 3.960 -0.835 0.000 0.216 617 G HA3 -0.054 3.405 3.960 -0.835 0.000 0.216 617 G C 0.838 175.628 174.900 -0.184 0.000 1.140 617 G CA 0.147 45.106 45.100 -0.235 0.000 0.801 617 G HN 0.792 nan 8.290 nan 0.000 0.536 618 F N 0.452 120.470 119.950 0.113 0.000 2.811 618 F HA 0.461 4.487 4.527 -0.835 0.000 0.301 618 F C 0.201 176.121 175.800 0.199 0.000 1.151 618 F CA -1.157 56.942 58.000 0.165 0.000 1.412 618 F CB -0.543 38.723 39.000 0.444 0.000 1.113 618 F HN -0.202 nan 8.300 nan 0.000 0.579 619 V N 2.207 122.079 119.914 -0.071 0.000 2.370 619 V HA 0.105 3.724 4.120 -0.835 0.000 0.279 619 V C -0.245 175.816 176.094 -0.055 0.000 1.029 619 V CA -0.826 61.472 62.300 -0.004 0.000 0.870 619 V CB 1.202 32.957 31.823 -0.113 0.000 0.984 619 V HN 0.101 nan 8.190 nan 0.000 0.451 620 D N 4.679 125.054 120.400 -0.042 0.000 2.551 620 D HA -0.004 4.135 4.640 -0.835 0.000 0.223 620 D C 1.383 177.630 176.300 -0.089 0.000 1.144 620 D CA -0.245 53.706 54.000 -0.082 0.000 1.025 620 D CB 0.444 41.181 40.800 -0.104 0.000 1.085 620 D HN 0.759 nan 8.370 nan 0.000 0.506 621 D N 1.814 122.160 120.400 -0.089 0.000 2.369 621 D HA -0.248 3.891 4.640 -0.835 0.000 0.213 621 D C 0.630 176.882 176.300 -0.080 0.000 0.982 621 D CA 0.679 54.621 54.000 -0.096 0.000 0.931 621 D CB 0.213 40.952 40.800 -0.103 0.000 0.889 621 D HN 0.209 nan 8.370 nan 0.000 0.487 622 K N -0.248 120.114 120.400 -0.063 0.000 2.417 622 K HA 0.217 4.036 4.320 -0.835 0.000 0.196 622 K C 0.304 176.901 176.600 -0.006 0.000 1.023 622 K CA -0.002 56.264 56.287 -0.034 0.000 1.122 622 K CB 0.580 33.063 32.500 -0.028 0.000 0.850 622 K HN 0.022 nan 8.250 nan 0.000 0.521 623 R N 0.764 121.239 120.500 -0.042 0.000 2.718 623 R HA 0.381 4.220 4.340 -0.835 0.000 0.266 623 R C -1.138 175.104 176.300 -0.096 0.000 1.776 623 R CA -0.111 55.962 56.100 -0.046 0.000 1.567 623 R CB 0.604 30.759 30.300 -0.242 0.000 1.336 623 R HN 0.019 nan 8.270 nan 0.000 0.619 624 I N 1.048 121.720 120.570 0.169 0.000 2.582 624 I HA 0.657 4.326 4.170 -0.835 0.000 0.292 624 I C -0.380 176.048 176.117 0.518 0.000 1.066 624 I CA -0.867 60.576 61.300 0.237 0.000 1.053 624 I CB 2.209 40.200 38.000 -0.015 0.000 1.241 624 I HN 0.398 nan 8.210 nan 0.000 0.421 625 A N 6.382 129.604 122.820 0.670 0.000 2.485 625 A HA 0.911 4.731 4.320 -0.835 0.000 0.292 625 A C -1.430 176.530 177.584 0.627 0.000 1.147 625 A CA -0.638 51.775 52.037 0.626 0.000 0.750 625 A CB 2.222 21.472 19.000 0.417 0.000 1.331 625 A HN 0.716 nan 8.150 nan 0.000 0.419 626 I N 0.975 121.799 120.570 0.424 0.000 2.607 626 I HA 0.649 4.318 4.170 -0.835 0.000 0.290 626 I C -1.728 174.593 176.117 0.341 0.000 1.129 626 I CA -0.630 60.831 61.300 0.269 0.000 1.042 626 I CB 1.356 39.209 38.000 -0.244 0.000 1.242 626 I HN 0.909 nan 8.210 nan 0.000 0.421 627 W N 7.680 129.097 121.300 0.195 0.000 2.950 627 W HA 0.879 5.036 4.660 -0.839 0.000 0.340 627 W C -1.409 175.248 176.519 0.230 0.000 1.139 627 W CA -1.122 56.350 57.345 0.212 0.000 1.188 627 W CB 1.571 31.214 29.460 0.305 0.000 1.426 627 W HN 0.772 nan 8.180 nan 0.000 0.531 628 G N 1.449 110.293 108.800 0.073 0.000 2.667 628 G HA2 0.402 3.862 3.960 -0.835 0.000 0.294 628 G HA3 0.402 3.862 3.960 -0.835 0.000 0.294 628 G C -2.728 172.206 174.900 0.056 0.000 1.467 628 G CA -0.720 44.246 45.100 -0.225 0.000 0.852 628 G HN 0.582 nan 8.290 nan 0.000 0.521 629 W N 1.546 122.785 121.300 -0.102 0.000 2.606 629 W HA 0.613 4.773 4.660 -0.833 0.000 0.332 629 W C 0.885 177.472 176.519 0.113 0.000 1.052 629 W CA 0.433 57.802 57.345 0.039 0.000 1.223 629 W CB 1.823 31.307 29.460 0.039 0.000 1.383 629 W HN 1.044 nan 8.180 nan 0.000 0.524 630 S N 2.304 118.262 115.700 0.431 0.000 4.114 630 S HA -0.426 3.543 4.470 -0.835 0.000 0.618 630 S C 1.171 175.904 174.600 0.221 0.000 1.937 630 S CA 1.771 60.212 58.200 0.401 0.000 4.228 630 S CB -1.787 61.776 63.200 0.605 0.000 0.216 630 S HN 0.700 nan 8.310 nan 0.000 0.528 631 Y N 2.258 122.609 120.300 0.085 0.000 2.114 631 Y HA -0.052 3.999 4.550 -0.833 0.000 0.282 631 Y C 2.465 178.363 175.900 -0.003 0.000 1.165 631 Y CA 2.731 60.791 58.100 -0.066 0.000 1.148 631 Y CB -1.132 37.062 38.460 -0.444 0.000 0.972 631 Y HN 0.551 nan 8.280 nan 0.000 0.504 632 G N -1.187 107.728 108.800 0.191 0.000 2.479 632 G HA2 -0.238 3.221 3.960 -0.835 0.000 0.220 632 G HA3 -0.238 3.221 3.960 -0.835 0.000 0.220 632 G C 1.812 176.772 174.900 0.100 0.000 1.115 632 G CA 0.828 46.023 45.100 0.158 0.000 0.757 632 G HN 0.604 nan 8.290 nan 0.000 0.560 633 G N -0.727 108.142 108.800 0.116 0.000 2.551 633 G HA2 -0.053 3.406 3.960 -0.835 0.000 0.216 633 G HA3 -0.053 3.406 3.960 -0.835 0.000 0.216 633 G C 1.457 176.396 174.900 0.065 0.000 1.137 633 G CA 0.871 46.020 45.100 0.081 0.000 0.798 633 G HN 0.426 nan 8.290 nan 0.000 0.536 634 Y N 1.241 121.465 120.300 -0.127 0.000 2.153 634 Y HA 0.009 4.057 4.550 -0.837 0.000 0.289 634 Y C 2.645 178.455 175.900 -0.151 0.000 1.119 634 Y CA 1.227 59.191 58.100 -0.228 0.000 1.116 634 Y CB -0.530 37.627 38.460 -0.504 0.000 1.004 634 Y HN -0.013 nan 8.280 nan 0.000 0.501 635 V N 0.240 119.984 119.914 -0.284 0.000 2.252 635 V HA -0.392 3.228 4.120 -0.835 0.000 0.249 635 V C 2.362 178.319 176.094 -0.227 0.000 1.056 635 V CA 2.697 64.836 62.300 -0.269 0.000 1.022 635 V CB -1.269 30.578 31.823 0.041 0.000 0.641 635 V HN 0.542 nan 8.190 nan 0.000 0.445 636 T N -0.441 114.043 114.554 -0.117 0.000 2.737 636 T HA -0.209 3.641 4.350 -0.835 0.000 0.269 636 T C 2.081 176.701 174.700 -0.134 0.000 1.040 636 T CA 1.989 64.025 62.100 -0.106 0.000 1.142 636 T CB -0.246 68.638 68.868 0.027 0.000 0.861 636 T HN 0.524 nan 8.240 nan 0.000 0.456 637 S N 0.594 116.235 115.700 -0.097 0.000 2.387 637 S HA 0.049 4.018 4.470 -0.835 0.000 0.226 637 S C 2.103 176.616 174.600 -0.146 0.000 1.026 637 S CA 0.713 58.874 58.200 -0.064 0.000 0.972 637 S CB -0.182 63.035 63.200 0.029 0.000 0.814 637 S HN 0.326 nan 8.310 nan 0.000 0.477 638 M N 0.961 120.394 119.600 -0.278 0.000 2.099 638 M HA -0.024 3.955 4.480 -0.835 0.000 0.262 638 M C 2.245 178.401 176.300 -0.241 0.000 1.067 638 M CA 1.066 56.202 55.300 -0.275 0.000 1.124 638 M CB -1.528 30.825 32.600 -0.411 0.000 1.353 638 M HN 0.154 nan 8.290 nan 0.000 0.410 639 V N 1.155 120.912 119.914 -0.262 0.000 2.252 639 V HA -0.293 3.326 4.120 -0.835 0.000 0.249 639 V C 2.589 178.503 176.094 -0.301 0.000 1.056 639 V CA 1.757 63.897 62.300 -0.268 0.000 1.022 639 V CB -0.700 30.869 31.823 -0.423 0.000 0.641 639 V HN 0.426 nan 8.190 nan 0.000 0.445 640 L N 0.120 121.094 121.223 -0.415 0.000 2.131 640 L HA -0.090 3.750 4.340 -0.835 0.000 0.210 640 L C 2.387 178.802 176.870 -0.758 0.000 1.092 640 L CA 1.641 56.147 54.840 -0.557 0.000 0.759 640 L CB -0.964 40.661 42.059 -0.723 0.000 0.903 640 L HN 0.499 nan 8.230 nan 0.000 0.435 641 G N -1.007 107.352 108.800 -0.735 0.000 2.920 641 G HA2 0.094 3.553 3.960 -0.835 0.000 0.208 641 G HA3 0.094 3.553 3.960 -0.835 0.000 0.208 641 G C 1.613 176.385 174.900 -0.215 0.000 1.159 641 G CA 0.538 45.341 45.100 -0.495 0.000 0.784 641 G HN 0.408 nan 8.290 nan 0.000 0.535 642 A N 0.226 122.932 122.820 -0.191 0.000 2.066 642 A HA 0.397 4.217 4.320 -0.835 0.000 0.218 642 A C 2.143 179.686 177.584 -0.068 0.000 1.157 642 A CA 1.383 53.363 52.037 -0.094 0.000 0.670 642 A CB -0.531 18.432 19.000 -0.062 0.000 0.804 642 A HN 1.489 nan 8.150 nan 0.000 0.453 643 G N -0.181 108.563 108.800 -0.094 0.000 2.273 643 G HA2 -0.266 3.193 3.960 -0.835 0.000 0.280 643 G HA3 -0.266 3.193 3.960 -0.835 0.000 0.280 643 G C 0.815 175.702 174.900 -0.021 0.000 1.047 643 G CA 1.181 46.246 45.100 -0.058 0.000 0.869 643 G HN 1.488 nan 8.290 nan 0.000 0.502 644 S N -1.001 114.701 115.700 0.002 0.000 2.558 644 S HA 0.383 4.353 4.470 -0.835 0.000 0.217 644 S C 2.287 176.892 174.600 0.008 0.000 0.975 644 S CA 1.157 59.367 58.200 0.017 0.000 0.912 644 S CB 0.170 63.402 63.200 0.054 0.000 0.776 644 S HN 2.287 nan 8.310 nan 0.000 0.526 645 G N 0.737 109.546 108.800 0.015 0.000 2.200 645 G HA2 -0.304 3.155 3.960 -0.835 0.000 0.267 645 G HA3 -0.304 3.155 3.960 -0.835 0.000 0.267 645 G C 0.737 175.627 174.900 -0.017 0.000 0.993 645 G CA 0.593 45.697 45.100 0.005 0.000 0.701 645 G HN 0.642 nan 8.290 nan 0.000 0.524 646 V N -0.968 118.929 119.914 -0.029 0.000 2.535 646 V HA 0.256 3.875 4.120 -0.835 0.000 0.246 646 V C 1.221 177.109 176.094 -0.343 0.000 1.045 646 V CA 1.371 63.536 62.300 -0.224 0.000 1.058 646 V CB -0.308 31.292 31.823 -0.371 0.000 0.689 646 V HN 0.295 nan 8.190 nan 0.000 0.461 647 F N 0.030 119.996 119.950 0.027 0.000 2.421 647 F HA 0.402 4.430 4.527 -0.832 0.000 0.337 647 F C 1.119 176.964 175.800 0.075 0.000 1.105 647 F CA -0.559 57.484 58.000 0.072 0.000 1.049 647 F CB 1.303 40.348 39.000 0.075 0.000 1.139 647 F HN -0.242 nan 8.300 nan 0.000 0.479 648 K N 1.464 122.030 120.400 0.277 0.000 2.186 648 K HA 0.100 3.919 4.320 -0.835 0.000 0.202 648 K C -0.130 176.601 176.600 0.219 0.000 1.052 648 K CA 0.892 57.305 56.287 0.210 0.000 0.965 648 K CB 0.245 32.878 32.500 0.222 0.000 0.746 648 K HN 0.817 nan 8.250 nan 0.000 0.457 649 c N -3.317 115.457 118.600 0.290 0.000 3.295 649 c HA 0.874 4.944 4.570 -0.835 0.000 0.341 649 c C -0.324 173.986 174.090 0.367 0.000 1.418 649 c CA -0.638 55.877 56.329 0.311 0.000 1.240 649 c CB 1.095 43.749 42.510 0.239 0.000 1.562 649 c HN 0.315 nan 8.230 nan 0.000 0.457 650 G N -0.063 108.999 108.800 0.438 0.000 2.673 650 G HA2 0.720 4.179 3.960 -0.835 0.000 0.292 650 G HA3 0.720 4.179 3.960 -0.835 0.000 0.292 650 G C -1.990 173.102 174.900 0.319 0.000 1.450 650 G CA -0.701 44.621 45.100 0.369 0.000 0.837 650 G HN 1.028 nan 8.290 nan 0.000 0.505 651 I N 0.680 121.406 120.570 0.261 0.000 2.466 651 I HA 0.622 4.291 4.170 -0.835 0.000 0.289 651 I C 0.153 176.384 176.117 0.190 0.000 1.026 651 I CA -0.998 60.341 61.300 0.065 0.000 1.078 651 I CB 2.290 40.255 38.000 -0.059 0.000 1.249 651 I HN 0.646 nan 8.210 nan 0.000 0.429 652 A N 6.459 129.312 122.820 0.054 0.000 2.287 652 A HA 0.768 4.587 4.320 -0.835 0.000 0.317 652 A C -0.743 176.760 177.584 -0.135 0.000 1.220 652 A CA -0.507 51.569 52.037 0.064 0.000 0.835 652 A CB 1.063 20.182 19.000 0.198 0.000 1.180 652 A HN 0.447 nan 8.150 nan 0.000 0.500 653 V N 2.202 121.979 119.914 -0.227 0.000 2.384 653 V HA 0.573 4.192 4.120 -0.835 0.000 0.287 653 V C 0.878 176.591 176.094 -0.636 0.000 1.020 653 V CA 0.237 62.180 62.300 -0.595 0.000 0.850 653 V CB 0.772 31.888 31.823 -1.178 0.000 0.987 653 V HN 2.050 nan 8.190 nan 0.000 0.436 654 A N 5.959 128.388 122.820 -0.652 0.000 2.154 654 A HA -0.104 3.715 4.320 -0.835 0.000 0.274 654 A C -2.103 175.337 177.584 -0.240 0.000 1.373 654 A CA 0.490 52.022 52.037 -0.843 0.000 0.751 654 A CB -1.340 17.340 19.000 -0.533 0.000 1.149 654 A HN 0.593 nan 8.150 nan 0.000 0.337 655 P HA 0.535 nan 4.420 nan 0.000 0.292 655 P C -0.119 177.142 177.300 -0.064 0.000 1.300 655 P CA -0.585 62.502 63.100 -0.022 0.000 0.900 655 P CB 1.796 33.508 31.700 0.019 0.000 1.139 656 V N 2.179 121.933 119.914 -0.266 0.000 2.614 656 V HA 0.085 3.704 4.120 -0.835 0.000 0.291 656 V C 1.740 177.599 176.094 -0.392 0.000 1.049 656 V CA 1.021 62.974 62.300 -0.579 0.000 1.038 656 V CB 0.649 31.622 31.823 -1.417 0.000 0.980 656 V HN 0.851 nan 8.190 nan 0.000 0.481 657 S N 3.095 118.632 115.700 -0.271 0.000 2.575 657 S HA 0.249 4.218 4.470 -0.835 0.000 0.230 657 S C 0.415 174.929 174.600 -0.143 0.000 1.062 657 S CA -0.177 57.972 58.200 -0.085 0.000 0.913 657 S CB 0.232 63.437 63.200 0.008 0.000 0.837 657 S HN 0.680 nan 8.310 nan 0.000 0.487 658 K N -0.266 119.975 120.400 -0.266 0.000 2.656 658 K HA 0.309 4.129 4.320 -0.835 0.000 0.253 658 K C -0.963 175.420 176.600 -0.362 0.000 1.002 658 K CA -0.685 55.397 56.287 -0.341 0.000 0.880 658 K CB 0.398 32.558 32.500 -0.566 0.000 1.232 658 K HN 0.156 nan 8.250 nan 0.000 0.456 659 W N 2.333 123.574 121.300 -0.098 0.000 2.389 659 W HA -0.128 4.038 4.660 -0.824 0.000 0.267 659 W C 0.987 177.621 176.519 0.191 0.000 1.219 659 W CA 0.771 58.131 57.345 0.025 0.000 1.189 659 W CB 0.246 29.668 29.460 -0.064 0.000 1.129 659 W HN 0.701 nan 8.180 nan 0.000 0.581 660 E N -1.246 119.091 120.200 0.228 0.000 2.511 660 E HA -0.137 3.712 4.350 -0.835 0.000 0.196 660 E C 0.909 177.579 176.600 0.118 0.000 1.066 660 E CA 0.464 56.937 56.400 0.121 0.000 0.871 660 E CB -0.145 29.504 29.700 -0.086 0.000 0.863 660 E HN 0.401 nan 8.360 nan 0.000 0.520 661 Y N -1.471 118.902 120.300 0.122 0.000 2.497 661 Y HA 0.080 4.144 4.550 -0.810 0.000 0.265 661 Y C 0.667 176.598 175.900 0.051 0.000 1.111 661 Y CA -0.459 57.659 58.100 0.029 0.000 1.288 661 Y CB -0.183 38.243 38.460 -0.056 0.000 1.082 661 Y HN 0.013 nan 8.280 nan 0.000 0.536 662 Y N 2.468 122.869 120.300 0.168 0.000 2.326 662 Y HA 0.258 4.304 4.550 -0.841 0.000 0.324 662 Y C 0.606 176.686 175.900 0.300 0.000 1.291 662 Y CA -1.919 56.282 58.100 0.169 0.000 1.348 662 Y CB 0.262 38.843 38.460 0.201 0.000 1.294 662 Y HN 0.243 nan 8.280 nan 0.000 0.525 663 D N -0.239 119.795 120.400 -0.609 0.000 2.370 663 D HA -0.032 4.108 4.640 -0.835 0.000 0.235 663 D C 0.812 177.054 176.300 -0.097 0.000 1.228 663 D CA 0.711 54.460 54.000 -0.419 0.000 0.884 663 D CB 0.488 40.826 40.800 -0.770 0.000 1.201 663 D HN 0.439 nan 8.370 nan 0.000 0.456 664 S N -0.190 115.480 115.700 -0.050 0.000 2.458 664 S HA -0.054 3.915 4.470 -0.835 0.000 0.223 664 S C 1.847 176.468 174.600 0.035 0.000 1.019 664 S CA 0.409 58.642 58.200 0.056 0.000 0.937 664 S CB -0.474 62.771 63.200 0.075 0.000 0.788 664 S HN 0.375 nan 8.310 nan 0.000 0.511 665 V N 1.024 120.902 119.914 -0.060 0.000 2.295 665 V HA -0.147 3.472 4.120 -0.835 0.000 0.246 665 V C 2.221 178.234 176.094 -0.136 0.000 1.049 665 V CA 2.129 64.313 62.300 -0.193 0.000 1.024 665 V CB -0.923 30.633 31.823 -0.444 0.000 0.648 665 V HN 0.592 nan 8.190 nan 0.000 0.447 666 Y N 1.351 121.583 120.300 -0.113 0.000 2.092 666 Y HA -0.260 3.792 4.550 -0.830 0.000 0.282 666 Y C 2.775 178.613 175.900 -0.104 0.000 1.126 666 Y CA 2.474 60.563 58.100 -0.018 0.000 1.111 666 Y CB -0.758 37.939 38.460 0.395 0.000 0.987 666 Y HN 0.229 nan 8.280 nan 0.000 0.489 667 T N 0.473 115.274 114.554 0.412 0.000 2.597 667 T HA -0.290 3.560 4.350 -0.835 0.000 0.267 667 T C 1.570 176.228 174.700 -0.071 0.000 1.053 667 T CA 2.147 64.390 62.100 0.239 0.000 1.165 667 T CB -0.519 68.628 68.868 0.464 0.000 0.863 667 T HN 0.446 nan 8.240 nan 0.000 0.427 668 E N 0.225 120.419 120.200 -0.010 0.000 2.331 668 E HA -0.123 3.726 4.350 -0.835 0.000 0.199 668 E C 2.296 178.764 176.600 -0.219 0.000 1.008 668 E CA 0.491 56.869 56.400 -0.038 0.000 0.843 668 E CB -0.118 29.606 29.700 0.041 0.000 0.761 668 E HN 0.338 nan 8.360 nan 0.000 0.507 669 R N -0.188 120.007 120.500 -0.508 0.000 2.148 669 R HA -0.111 3.728 4.340 -0.835 0.000 0.223 669 R C 0.770 176.523 176.300 -0.912 0.000 1.088 669 R CA 1.130 56.755 56.100 -0.790 0.000 0.985 669 R CB 0.205 29.736 30.300 -1.282 0.000 0.880 669 R HN 0.212 nan 8.270 nan 0.000 0.451 670 Y N -2.401 117.574 120.300 -0.542 0.000 2.500 670 Y HA 0.326 4.374 4.550 -0.836 0.000 0.246 670 Y C 1.022 176.672 175.900 -0.416 0.000 1.146 670 Y CA -0.352 57.402 58.100 -0.577 0.000 1.230 670 Y CB 0.904 38.874 38.460 -0.817 0.000 1.214 670 Y HN -0.046 nan 8.280 nan 0.000 0.526 671 M N -0.735 118.719 119.600 -0.243 0.000 2.231 671 M HA 0.400 4.379 4.480 -0.835 0.000 0.347 671 M C 1.051 177.322 176.300 -0.048 0.000 0.901 671 M CA 0.730 55.870 55.300 -0.268 0.000 1.064 671 M CB 0.361 32.578 32.600 -0.638 0.000 1.861 671 M HN 0.279 nan 8.290 nan 0.000 0.638 672 G N 2.179 110.976 108.800 -0.005 0.000 2.601 672 G HA2 -0.242 3.217 3.960 -0.835 0.000 0.252 672 G HA3 -0.242 3.217 3.960 -0.835 0.000 0.252 672 G C -0.484 174.534 174.900 0.196 0.000 1.294 672 G CA -0.635 44.504 45.100 0.065 0.000 0.912 672 G HN 0.343 nan 8.290 nan 0.000 0.574 673 L N 1.912 123.218 121.223 0.139 0.000 2.357 673 L HA 0.433 4.272 4.340 -0.835 0.000 0.273 673 L C -1.450 175.423 176.870 0.006 0.000 1.080 673 L CA -1.787 53.100 54.840 0.079 0.000 0.803 673 L CB 1.797 43.862 42.059 0.010 0.000 1.174 673 L HN 0.449 nan 8.230 nan 0.000 0.443 674 P HA 0.061 nan 4.420 nan 0.000 0.226 674 P C -0.602 176.548 177.300 -0.250 0.000 1.783 674 P CA -0.055 62.641 63.100 -0.674 0.000 0.980 674 P CB -0.394 30.594 31.700 -1.186 0.000 1.967 675 T N -2.343 112.154 114.554 -0.094 0.000 2.906 675 T HA 0.473 4.322 4.350 -0.835 0.000 0.295 675 T C -2.302 172.396 174.700 -0.003 0.000 1.061 675 T CA -2.375 59.696 62.100 -0.048 0.000 1.000 675 T CB 2.179 71.026 68.868 -0.035 0.000 1.103 675 T HN -0.172 nan 8.240 nan 0.000 0.486 676 P HA 0.089 nan 4.420 nan 0.000 0.242 676 P C 0.356 177.668 177.300 0.021 0.000 1.197 676 P CA 0.577 63.690 63.100 0.023 0.000 0.765 676 P CB 0.095 31.805 31.700 0.017 0.000 0.936 677 E N -0.984 119.222 120.200 0.010 0.000 2.479 677 E HA 0.026 3.875 4.350 -0.835 0.000 0.193 677 E C 0.962 177.567 176.600 0.008 0.000 1.049 677 E CA 0.217 56.620 56.400 0.006 0.000 0.870 677 E CB 0.074 29.773 29.700 -0.002 0.000 0.944 677 E HN 0.213 nan 8.360 nan 0.000 0.492 678 D N -0.451 119.960 120.400 0.019 0.000 3.268 678 D HA 0.119 4.258 4.640 -0.835 0.000 0.173 678 D C -0.119 176.209 176.300 0.047 0.000 1.219 678 D CA -0.246 53.769 54.000 0.025 0.000 1.514 678 D CB -0.074 40.744 40.800 0.030 0.000 1.174 678 D HN -0.041 nan 8.370 nan 0.000 0.170 679 N N 0.402 119.165 118.700 0.104 0.000 2.282 679 N HA 0.056 4.296 4.740 -0.835 0.000 0.240 679 N C 1.310 177.008 175.510 0.313 0.000 1.182 679 N CA -0.134 53.014 53.050 0.164 0.000 0.874 679 N CB 0.711 39.278 38.487 0.134 0.000 1.126 679 N HN 0.025 nan 8.380 nan 0.000 0.516 680 L N 1.325 122.667 121.223 0.200 0.000 2.051 680 L HA -0.235 3.605 4.340 -0.835 0.000 0.214 680 L C 1.457 178.464 176.870 0.229 0.000 1.076 680 L CA 1.991 56.931 54.840 0.166 0.000 0.758 680 L CB -0.531 41.560 42.059 0.053 0.000 0.890 680 L HN 0.234 nan 8.230 nan 0.000 0.433 681 D N -1.399 119.133 120.400 0.220 0.000 2.123 681 D HA -0.240 3.900 4.640 -0.835 0.000 0.196 681 D C 1.965 178.391 176.300 0.210 0.000 0.992 681 D CA 1.633 55.753 54.000 0.201 0.000 0.833 681 D CB -0.233 40.696 40.800 0.215 0.000 0.954 681 D HN 0.450 nan 8.370 nan 0.000 0.455 682 Y N -0.850 119.501 120.300 0.086 0.000 2.546 682 Y HA -0.021 4.028 4.550 -0.835 0.000 0.287 682 Y C 1.800 177.732 175.900 0.054 0.000 1.158 682 Y CA 0.038 58.161 58.100 0.038 0.000 1.307 682 Y CB -0.275 38.167 38.460 -0.030 0.000 1.036 682 Y HN 0.030 nan 8.280 nan 0.000 0.532 683 Y N -0.415 119.981 120.300 0.160 0.000 2.231 683 Y HA -0.064 3.984 4.550 -0.837 0.000 0.294 683 Y C 2.331 178.285 175.900 0.090 0.000 1.120 683 Y CA 1.169 59.345 58.100 0.127 0.000 1.141 683 Y CB -0.040 38.474 38.460 0.090 0.000 1.022 683 Y HN -0.149 nan 8.280 nan 0.000 0.523 684 R N 0.405 121.046 120.500 0.235 0.000 2.115 684 R HA -0.126 3.714 4.340 -0.835 0.000 0.230 684 R C 1.229 177.570 176.300 0.068 0.000 1.111 684 R CA 1.427 57.596 56.100 0.115 0.000 0.976 684 R CB -0.391 29.953 30.300 0.073 0.000 0.870 684 R HN 0.420 nan 8.270 nan 0.000 0.445 685 N N -0.077 118.648 118.700 0.042 0.000 2.230 685 N HA -0.042 4.197 4.740 -0.835 0.000 0.202 685 N C 0.162 175.685 175.510 0.022 0.000 1.119 685 N CA 0.297 53.344 53.050 -0.005 0.000 0.851 685 N CB 0.553 38.989 38.487 -0.085 0.000 0.990 685 N HN 0.002 nan 8.380 nan 0.000 0.497 686 S N -1.084 114.677 115.700 0.101 0.000 2.574 686 S HA 0.089 4.059 4.470 -0.835 0.000 0.242 686 S C 0.467 175.219 174.600 0.253 0.000 0.982 686 S CA -0.512 57.801 58.200 0.188 0.000 0.977 686 S CB -0.702 62.661 63.200 0.272 0.000 0.814 686 S HN 0.343 nan 8.310 nan 0.000 0.464 687 T N -0.973 113.664 114.554 0.139 0.000 2.856 687 T HA 0.446 4.296 4.350 -0.835 0.000 0.292 687 T C 1.282 176.021 174.700 0.065 0.000 0.980 687 T CA -0.609 61.546 62.100 0.091 0.000 1.091 687 T CB 1.320 70.200 68.868 0.020 0.000 0.936 687 T HN -0.032 nan 8.240 nan 0.000 0.503 688 V N 3.351 123.300 119.914 0.058 0.000 2.594 688 V HA -0.148 3.471 4.120 -0.835 0.000 0.253 688 V C 2.464 178.535 176.094 -0.039 0.000 1.069 688 V CA 1.714 64.016 62.300 0.004 0.000 1.082 688 V CB -0.941 30.869 31.823 -0.022 0.000 0.680 688 V HN 0.867 nan 8.190 nan 0.000 0.469 689 M N 0.686 120.259 119.600 -0.045 0.000 2.296 689 M HA -0.111 3.869 4.480 -0.835 0.000 0.265 689 M C 2.286 178.565 176.300 -0.035 0.000 1.064 689 M CA 1.738 56.996 55.300 -0.070 0.000 1.109 689 M CB -0.710 31.863 32.600 -0.045 0.000 1.396 689 M HN 0.502 nan 8.290 nan 0.000 0.430 690 S N 0.147 115.844 115.700 -0.006 0.000 2.507 690 S HA -0.082 3.887 4.470 -0.835 0.000 0.235 690 S C 1.640 176.249 174.600 0.015 0.000 0.988 690 S CA 0.678 58.881 58.200 0.004 0.000 0.944 690 S CB -0.357 62.849 63.200 0.009 0.000 0.762 690 S HN 0.560 nan 8.310 nan 0.000 0.526 691 R N 0.134 120.655 120.500 0.036 0.000 2.509 691 R HA 0.483 4.323 4.340 -0.835 0.000 0.300 691 R C 2.004 178.408 176.300 0.174 0.000 0.985 691 R CA 0.399 56.548 56.100 0.082 0.000 1.092 691 R CB -0.070 30.281 30.300 0.084 0.000 1.237 691 R HN 0.415 nan 8.270 nan 0.000 0.546 692 A N 1.726 124.585 122.820 0.066 0.000 1.903 692 A HA -0.295 3.525 4.320 -0.835 0.000 0.219 692 A C 1.980 179.646 177.584 0.138 0.000 1.191 692 A CA 1.909 53.952 52.037 0.009 0.000 0.638 692 A CB -0.248 18.692 19.000 -0.099 0.000 0.823 692 A HN 0.231 nan 8.150 nan 0.000 0.451 693 E N 0.099 120.354 120.200 0.091 0.000 2.118 693 E HA -0.175 3.674 4.350 -0.835 0.000 0.195 693 E C 1.766 178.425 176.600 0.099 0.000 0.992 693 E CA 1.652 58.101 56.400 0.082 0.000 0.804 693 E CB -0.448 29.281 29.700 0.047 0.000 0.741 693 E HN 0.797 nan 8.360 nan 0.000 0.458 694 N N -1.117 117.635 118.700 0.087 0.000 2.364 694 N HA -0.138 4.101 4.740 -0.835 0.000 0.183 694 N C 1.044 176.532 175.510 -0.037 0.000 1.022 694 N CA 0.367 53.418 53.050 0.001 0.000 0.883 694 N CB -0.154 38.288 38.487 -0.075 0.000 0.965 694 N HN 0.131 nan 8.380 nan 0.000 0.438 695 F N 1.610 121.515 119.950 -0.075 0.000 2.333 695 F HA -0.064 3.966 4.527 -0.828 0.000 0.300 695 F C 1.942 177.745 175.800 0.006 0.000 1.083 695 F CA 0.892 58.846 58.000 -0.076 0.000 1.395 695 F CB -0.088 38.818 39.000 -0.156 0.000 1.056 695 F HN -0.078 nan 8.300 nan 0.000 0.529 696 K N -0.043 120.455 120.400 0.164 0.000 2.360 696 K HA -0.212 3.607 4.320 -0.835 0.000 0.201 696 K C 1.559 178.214 176.600 0.092 0.000 1.046 696 K CA 1.216 57.581 56.287 0.129 0.000 0.940 696 K CB -0.273 32.283 32.500 0.094 0.000 0.748 696 K HN 0.449 nan 8.250 nan 0.000 0.465 697 Q N 0.125 119.955 119.800 0.051 0.000 2.408 697 Q HA 0.031 3.870 4.340 -0.835 0.000 0.205 697 Q C 0.504 176.526 176.000 0.037 0.000 0.919 697 Q CA 0.113 55.934 55.803 0.029 0.000 0.932 697 Q CB 0.641 29.377 28.738 -0.004 0.000 1.058 697 Q HN 0.147 nan 8.270 nan 0.000 0.517 698 V N -3.195 116.747 119.914 0.047 0.000 3.158 698 V HA 0.475 4.094 4.120 -0.835 0.000 0.311 698 V C -1.136 175.071 176.094 0.188 0.000 1.181 698 V CA -1.348 61.004 62.300 0.087 0.000 1.054 698 V CB 2.140 33.974 31.823 0.019 0.000 1.085 698 V HN -0.067 nan 8.190 nan 0.000 0.446 699 E N 0.956 121.300 120.200 0.240 0.000 2.109 699 E HA 0.437 4.286 4.350 -0.835 0.000 0.278 699 E C -1.904 175.048 176.600 0.586 0.000 0.954 699 E CA -0.340 56.270 56.400 0.350 0.000 0.779 699 E CB 1.618 31.442 29.700 0.206 0.000 1.093 699 E HN 0.653 nan 8.360 nan 0.000 0.401 700 Y N 3.656 124.220 120.300 0.440 0.000 2.341 700 Y HA 0.389 4.440 4.550 -0.832 0.000 0.338 700 Y C -1.394 174.654 175.900 0.246 0.000 0.965 700 Y CA -1.211 57.111 58.100 0.371 0.000 1.108 700 Y CB 0.848 39.558 38.460 0.418 0.000 1.180 700 Y HN 0.445 nan 8.280 nan 0.000 0.458 701 L N 8.075 129.090 121.223 -0.347 0.000 2.298 701 L HA 0.468 4.307 4.340 -0.835 0.000 0.284 701 L C -1.706 174.727 176.870 -0.729 0.000 1.013 701 L CA -1.094 53.366 54.840 -0.635 0.000 0.824 701 L CB 1.088 42.419 42.059 -1.214 0.000 1.221 701 L HN 0.660 nan 8.230 nan 0.000 0.418 702 L N 6.703 127.570 121.223 -0.593 0.000 2.296 702 L HA 0.619 4.458 4.340 -0.835 0.000 0.286 702 L C -0.780 175.943 176.870 -0.246 0.000 1.023 702 L CA -0.011 54.535 54.840 -0.491 0.000 0.812 702 L CB 1.362 43.202 42.059 -0.366 0.000 1.223 702 L HN 0.424 nan 8.230 nan 0.000 0.421 703 I N 4.625 125.068 120.570 -0.212 0.000 2.647 703 I HA 0.517 4.186 4.170 -0.835 0.000 0.295 703 I C -0.974 175.123 176.117 -0.033 0.000 1.078 703 I CA -0.768 60.453 61.300 -0.131 0.000 1.048 703 I CB 2.037 39.917 38.000 -0.199 0.000 1.239 703 I HN 0.543 nan 8.210 nan 0.000 0.421 704 H N 2.078 121.182 119.070 0.057 0.000 3.068 704 H HA 0.427 4.501 4.556 -0.803 0.000 0.342 704 H C -1.033 174.508 175.328 0.355 0.000 1.284 704 H CA -0.580 55.569 56.048 0.167 0.000 1.181 704 H CB 2.533 32.361 29.762 0.110 0.000 1.898 704 H HN 0.766 nan 8.280 nan 0.000 0.540 705 G N 0.435 109.603 108.800 0.613 0.000 2.332 705 G HA2 0.285 3.744 3.960 -0.835 0.000 0.310 705 G HA3 0.285 3.744 3.960 -0.835 0.000 0.310 705 G C 1.034 176.161 174.900 0.378 0.000 1.123 705 G CA 0.090 45.465 45.100 0.460 0.000 0.873 705 G HN 0.612 nan 8.290 nan 0.000 0.460 706 T N -0.819 113.796 114.554 0.102 0.000 3.098 706 T HA 0.084 3.933 4.350 -0.835 0.000 0.266 706 T C 1.527 176.126 174.700 -0.169 0.000 1.145 706 T CA 1.263 63.197 62.100 -0.277 0.000 1.092 706 T CB 0.162 68.814 68.868 -0.360 0.000 0.908 706 T HN 0.714 nan 8.240 nan 0.000 0.526 707 A N 0.707 123.517 122.820 -0.017 0.000 2.637 707 A HA 0.334 4.153 4.320 -0.835 0.000 0.293 707 A C 0.280 177.819 177.584 -0.076 0.000 1.216 707 A CA -0.549 51.464 52.037 -0.040 0.000 0.956 707 A CB -0.061 19.119 19.000 0.300 0.000 1.174 707 A HN 0.389 nan 8.150 nan 0.000 0.525 708 D N 1.412 121.781 120.400 -0.053 0.000 2.358 708 D HA 0.019 4.158 4.640 -0.835 0.000 0.258 708 D C 0.281 176.523 176.300 -0.096 0.000 1.223 708 D CA 0.213 54.290 54.000 0.128 0.000 0.886 708 D CB 0.853 41.905 40.800 0.420 0.000 1.120 708 D HN 0.551 nan 8.370 nan 0.000 0.482 709 D N 2.423 122.839 120.400 0.027 0.000 2.346 709 D HA -0.117 4.022 4.640 -0.835 0.000 0.206 709 D C 0.938 177.262 176.300 0.040 0.000 1.001 709 D CA -0.129 53.828 54.000 -0.072 0.000 0.871 709 D CB 0.349 41.054 40.800 -0.158 0.000 0.943 709 D HN 0.191 nan 8.370 nan 0.000 0.518 710 N N 0.848 119.659 118.700 0.186 0.000 2.255 710 N HA -0.050 4.189 4.740 -0.835 0.000 0.192 710 N C -0.022 175.539 175.510 0.084 0.000 1.049 710 N CA 0.701 53.879 53.050 0.213 0.000 0.886 710 N CB 0.193 38.681 38.487 0.001 0.000 1.064 710 N HN -0.101 nan 8.380 nan 0.000 0.457 711 V N 2.815 122.735 119.914 0.010 0.000 2.304 711 V HA 0.205 3.824 4.120 -0.835 0.000 0.269 711 V C -0.502 175.714 176.094 0.202 0.000 1.036 711 V CA -0.474 61.877 62.300 0.085 0.000 0.840 711 V CB -0.266 31.640 31.823 0.139 0.000 1.036 711 V HN 0.325 nan 8.190 nan 0.000 0.466 712 H N 3.417 122.450 119.070 -0.063 0.000 2.972 712 H HA -0.047 4.007 4.556 -0.836 0.000 0.343 712 H C 0.840 175.970 175.328 -0.329 0.000 1.054 712 H CA -0.070 55.851 56.048 -0.212 0.000 1.412 712 H CB 0.852 30.417 29.762 -0.328 0.000 1.385 712 H HN 0.652 nan 8.280 nan 0.000 0.600 713 F N 2.228 121.929 119.950 -0.415 0.000 2.236 713 F HA -0.277 4.187 4.527 -0.105 0.000 0.302 713 F C 2.589 178.096 175.800 -0.488 0.000 1.073 713 F CA 1.648 59.236 58.000 -0.686 0.000 1.336 713 F CB -0.176 38.592 39.000 -0.388 0.000 1.040 713 F HN 0.661 nan 8.300 nan 0.000 0.507 714 Q N 0.300 119.932 119.800 -0.280 0.000 2.133 714 Q HA -0.308 3.532 4.340 -0.835 0.000 0.208 714 Q C 2.011 177.704 176.000 -0.511 0.000 0.991 714 Q CA 2.203 57.791 55.803 -0.360 0.000 0.867 714 Q CB -0.553 27.964 28.738 -0.367 0.000 0.911 714 Q HN 0.575 nan 8.270 nan 0.000 0.417 715 Q N -0.001 119.516 119.800 -0.471 0.000 2.077 715 Q HA -0.145 3.695 4.340 -0.835 0.000 0.206 715 Q C 2.262 178.107 176.000 -0.257 0.000 0.989 715 Q CA 1.903 57.528 55.803 -0.297 0.000 0.853 715 Q CB -0.135 28.544 28.738 -0.098 0.000 0.907 715 Q HN 0.384 nan 8.270 nan 0.000 0.418 716 S N 0.305 115.754 115.700 -0.418 0.000 2.446 716 S HA 0.040 4.009 4.470 -0.835 0.000 0.225 716 S C 1.959 176.309 174.600 -0.416 0.000 1.016 716 S CA 0.616 58.605 58.200 -0.351 0.000 0.943 716 S CB 0.017 63.020 63.200 -0.328 0.000 0.786 716 S HN 0.455 nan 8.310 nan 0.000 0.508 717 A N 1.496 123.947 122.820 -0.615 0.000 1.873 717 A HA -0.098 3.722 4.320 -0.835 0.000 0.215 717 A C 2.147 179.613 177.584 -0.196 0.000 1.186 717 A CA 1.040 52.840 52.037 -0.395 0.000 0.616 717 A CB -0.467 18.335 19.000 -0.328 0.000 0.823 717 A HN 0.319 nan 8.150 nan 0.000 0.442 718 Q N -0.897 118.781 119.800 -0.202 0.000 2.119 718 Q HA -0.141 3.699 4.340 -0.835 0.000 0.201 718 Q C 2.117 178.081 176.000 -0.059 0.000 0.972 718 Q CA 1.445 57.194 55.803 -0.091 0.000 0.847 718 Q CB -0.523 28.185 28.738 -0.049 0.000 0.903 718 Q HN 0.612 nan 8.270 nan 0.000 0.433 719 L N 0.975 122.144 121.223 -0.090 0.000 2.027 719 L HA -0.136 3.703 4.340 -0.835 0.000 0.206 719 L C 2.307 179.086 176.870 -0.152 0.000 1.074 719 L CA 2.364 57.134 54.840 -0.117 0.000 0.745 719 L CB -0.894 41.096 42.059 -0.114 0.000 0.898 719 L HN 0.206 nan 8.230 nan 0.000 0.433 720 S N -1.119 114.538 115.700 -0.072 0.000 2.423 720 S HA -0.245 3.725 4.470 -0.835 0.000 0.231 720 S C 2.108 176.787 174.600 0.131 0.000 1.014 720 S CA 1.242 59.511 58.200 0.115 0.000 0.965 720 S CB -0.619 62.760 63.200 0.297 0.000 0.785 720 S HN 0.587 nan 8.310 nan 0.000 0.495 721 K N 1.481 121.900 120.400 0.033 0.000 2.103 721 K HA 0.142 3.962 4.320 -0.835 0.000 0.204 721 K C 2.253 178.860 176.600 0.011 0.000 1.052 721 K CA 0.948 57.254 56.287 0.033 0.000 0.945 721 K CB -0.571 31.932 32.500 0.005 0.000 0.722 721 K HN 0.431 nan 8.250 nan 0.000 0.443 722 A N 1.136 123.933 122.820 -0.037 0.000 1.898 722 A HA -0.081 3.739 4.320 -0.835 0.000 0.216 722 A C 2.051 179.587 177.584 -0.079 0.000 1.181 722 A CA 1.125 53.128 52.037 -0.057 0.000 0.620 722 A CB -0.544 18.404 19.000 -0.087 0.000 0.819 722 A HN 0.296 nan 8.150 nan 0.000 0.442 723 L N -0.743 120.386 121.223 -0.156 0.000 2.056 723 L HA -0.135 3.705 4.340 -0.835 0.000 0.207 723 L C 2.499 179.416 176.870 0.078 0.000 1.078 723 L CA 0.880 55.613 54.840 -0.178 0.000 0.749 723 L CB -0.607 41.070 42.059 -0.637 0.000 0.901 723 L HN 0.228 nan 8.230 nan 0.000 0.433 724 V N -0.017 120.006 119.914 0.182 0.000 2.343 724 V HA -0.294 3.325 4.120 -0.835 0.000 0.247 724 V C 1.929 178.078 176.094 0.093 0.000 1.051 724 V CA 1.929 64.336 62.300 0.178 0.000 1.036 724 V CB -0.449 31.458 31.823 0.141 0.000 0.654 724 V HN 0.429 nan 8.190 nan 0.000 0.451 725 D N 0.077 120.511 120.400 0.057 0.000 2.310 725 D HA -0.020 4.119 4.640 -0.835 0.000 0.212 725 D C 1.750 178.069 176.300 0.031 0.000 0.965 725 D CA 1.240 55.261 54.000 0.035 0.000 0.879 725 D CB -0.046 40.766 40.800 0.020 0.000 0.921 725 D HN 0.482 nan 8.370 nan 0.000 0.510 726 A N -0.598 122.240 122.820 0.031 0.000 2.345 726 A HA 0.483 4.302 4.320 -0.835 0.000 0.225 726 A C 1.685 179.301 177.584 0.053 0.000 1.243 726 A CA 0.620 52.675 52.037 0.031 0.000 0.875 726 A CB -0.113 18.895 19.000 0.013 0.000 0.929 726 A HN 0.152 nan 8.150 nan 0.000 0.502 727 G N -0.741 108.101 108.800 0.069 0.000 2.179 727 G HA2 -0.211 3.248 3.960 -0.835 0.000 0.257 727 G HA3 -0.211 3.248 3.960 -0.835 0.000 0.257 727 G C 0.226 175.193 174.900 0.112 0.000 1.010 727 G CA 0.397 45.546 45.100 0.082 0.000 0.736 727 G HN 0.730 nan 8.290 nan 0.000 0.513 728 V N 0.419 120.418 119.914 0.141 0.000 2.649 728 V HA 0.471 4.090 4.120 -0.835 0.000 0.292 728 V C 0.463 176.752 176.094 0.324 0.000 1.055 728 V CA -0.141 62.275 62.300 0.194 0.000 1.023 728 V CB 1.752 33.663 31.823 0.147 0.000 0.992 728 V HN 0.398 nan 8.190 nan 0.000 0.480 729 D N 3.257 123.840 120.400 0.305 0.000 2.175 729 D HA 0.661 4.801 4.640 -0.835 0.000 0.248 729 D C -0.612 175.980 176.300 0.487 0.000 1.047 729 D CA -0.063 54.121 54.000 0.308 0.000 0.883 729 D CB 1.089 41.987 40.800 0.163 0.000 1.180 729 D HN 0.310 nan 8.370 nan 0.000 0.438 730 F N -0.418 119.612 119.950 0.133 0.000 3.169 730 F HA 0.493 4.514 4.527 -0.844 0.000 0.325 730 F C -1.558 174.305 175.800 0.105 0.000 1.175 730 F CA -1.022 57.082 58.000 0.175 0.000 0.887 730 F CB 0.659 39.807 39.000 0.247 0.000 1.457 730 F HN 0.209 nan 8.300 nan 0.000 0.496 731 Q N 0.429 120.299 119.800 0.117 0.000 2.377 731 Q HA 0.687 4.526 4.340 -0.835 0.000 0.271 731 Q C -1.204 174.740 176.000 -0.094 0.000 1.077 731 Q CA -0.935 54.831 55.803 -0.062 0.000 0.820 731 Q CB 2.823 31.607 28.738 0.076 0.000 1.347 731 Q HN 0.887 nan 8.270 nan 0.000 0.444 732 T N -1.383 113.083 114.554 -0.147 0.000 2.883 732 T HA 0.780 4.629 4.350 -0.835 0.000 0.296 732 T C -0.873 173.718 174.700 -0.180 0.000 1.117 732 T CA -0.873 61.157 62.100 -0.116 0.000 1.006 732 T CB 1.714 70.556 68.868 -0.045 0.000 1.191 732 T HN 0.476 nan 8.240 nan 0.000 0.508 733 M N 2.525 121.995 119.600 -0.217 0.000 2.284 733 M HA 0.491 4.470 4.480 -0.835 0.000 0.229 733 M C -2.132 173.937 176.300 -0.384 0.000 0.984 733 M CA -1.169 53.847 55.300 -0.473 0.000 1.016 733 M CB 0.880 33.121 32.600 -0.599 0.000 2.379 733 M HN 0.920 nan 8.290 nan 0.000 0.459 734 W N 4.442 125.546 121.300 -0.327 0.000 2.375 734 W HA 0.754 5.010 4.660 -0.673 0.000 0.336 734 W C -1.929 174.335 176.519 -0.424 0.000 1.160 734 W CA -0.707 56.547 57.345 -0.152 0.000 1.266 734 W CB 0.304 29.753 29.460 -0.019 0.000 1.195 734 W HN 0.605 nan 8.180 nan 0.000 0.599 735 Y N 2.252 122.724 120.300 0.287 0.000 2.426 735 Y HA 0.272 4.320 4.550 -0.837 0.000 0.325 735 Y C 0.379 176.401 175.900 0.204 0.000 0.989 735 Y CA -1.404 56.764 58.100 0.113 0.000 1.284 735 Y CB 1.214 39.690 38.460 0.026 0.000 1.104 735 Y HN 0.446 nan 8.280 nan 0.000 0.481 736 T N 5.019 119.785 114.554 0.354 0.000 2.750 736 T HA -0.049 3.800 4.350 -0.835 0.000 0.277 736 T C 0.216 174.981 174.700 0.109 0.000 0.996 736 T CA 0.903 63.116 62.100 0.188 0.000 1.195 736 T CB -0.214 68.718 68.868 0.106 0.000 0.963 736 T HN 0.690 nan 8.240 nan 0.000 0.516 737 D N 0.950 121.377 120.400 0.045 0.000 3.077 737 D HA -0.126 4.013 4.640 -0.835 0.000 0.217 737 D C 0.390 176.786 176.300 0.161 0.000 1.162 737 D CA 1.093 55.056 54.000 -0.063 0.000 0.943 737 D CB -0.315 40.280 40.800 -0.341 0.000 1.122 737 D HN 0.567 nan 8.370 nan 0.000 0.413 738 E N 0.763 121.083 120.200 0.200 0.000 2.283 738 E HA 0.337 4.186 4.350 -0.835 0.000 0.267 738 E C 0.677 177.439 176.600 0.271 0.000 1.045 738 E CA -0.286 56.252 56.400 0.231 0.000 0.884 738 E CB 1.191 31.012 29.700 0.201 0.000 1.106 738 E HN 0.298 nan 8.360 nan 0.000 0.408 739 D N -1.067 119.507 120.400 0.289 0.000 2.595 739 D HA 0.032 4.171 4.640 -0.835 0.000 0.268 739 D C 1.027 177.555 176.300 0.379 0.000 1.181 739 D CA -0.367 53.830 54.000 0.328 0.000 1.085 739 D CB -0.169 40.843 40.800 0.353 0.000 1.186 739 D HN 0.389 nan 8.370 nan 0.000 0.621 740 H N -1.368 117.876 119.070 0.290 0.000 2.496 740 H HA 0.003 4.055 4.556 -0.841 0.000 0.296 740 H C 1.747 177.312 175.328 0.395 0.000 1.107 740 H CA 2.207 58.453 56.048 0.330 0.000 1.263 740 H CB -0.305 29.634 29.762 0.296 0.000 1.369 740 H HN 0.515 nan 8.280 nan 0.000 0.541 741 G N -0.691 108.278 108.800 0.282 0.000 3.088 741 G HA2 0.090 3.549 3.960 -0.835 0.000 0.217 741 G HA3 0.090 3.549 3.960 -0.835 0.000 0.217 741 G C 0.566 175.622 174.900 0.260 0.000 1.159 741 G CA 0.150 45.325 45.100 0.125 0.000 0.760 741 G HN 0.478 nan 8.290 nan 0.000 0.550 742 I N 0.388 121.147 120.570 0.313 0.000 3.906 742 I HA -0.348 3.322 4.170 -0.835 0.000 0.126 742 I C 1.658 177.881 176.117 0.177 0.000 1.081 742 I CA 0.338 61.763 61.300 0.209 0.000 2.733 742 I CB -1.125 36.967 38.000 0.154 0.000 1.518 742 I HN 0.287 nan 8.210 nan 0.000 0.341 743 A N 1.343 124.247 122.820 0.141 0.000 2.308 743 A HA 0.205 4.024 4.320 -0.835 0.000 0.217 743 A C 1.268 178.888 177.584 0.060 0.000 1.216 743 A CA 0.565 52.653 52.037 0.085 0.000 0.864 743 A CB 0.057 19.073 19.000 0.026 0.000 0.902 743 A HN 0.670 nan 8.150 nan 0.000 0.499 744 S N -0.503 115.245 115.700 0.080 0.000 2.569 744 S HA 0.011 3.980 4.470 -0.835 0.000 0.274 744 S C 0.857 175.498 174.600 0.069 0.000 1.353 744 S CA 0.425 58.667 58.200 0.069 0.000 1.023 744 S CB 0.155 63.401 63.200 0.077 0.000 0.876 744 S HN 0.530 nan 8.310 nan 0.000 0.540 745 N N 0.829 119.561 118.700 0.053 0.000 2.025 745 N HA -0.142 4.097 4.740 -0.835 0.000 0.194 745 N C 1.714 177.276 175.510 0.086 0.000 1.044 745 N CA 1.707 54.794 53.050 0.061 0.000 0.851 745 N CB -0.218 38.289 38.487 0.034 0.000 1.036 745 N HN 0.554 nan 8.380 nan 0.000 0.422 746 M N 0.705 120.341 119.600 0.060 0.000 2.159 746 M HA -0.039 3.940 4.480 -0.835 0.000 0.263 746 M C 2.238 178.563 176.300 0.043 0.000 1.063 746 M CA 0.862 56.196 55.300 0.056 0.000 1.110 746 M CB -1.459 31.166 32.600 0.042 0.000 1.374 746 M HN 0.176 nan 8.290 nan 0.000 0.411 747 A N -0.827 121.991 122.820 -0.002 0.000 1.873 747 A HA -0.217 3.602 4.320 -0.835 0.000 0.215 747 A C 2.110 179.616 177.584 -0.130 0.000 1.186 747 A CA 2.167 54.109 52.037 -0.159 0.000 0.616 747 A CB -1.147 17.745 19.000 -0.179 0.000 0.823 747 A HN 0.566 nan 8.150 nan 0.000 0.442 748 H N -0.106 118.925 119.070 -0.065 0.000 2.319 748 H HA -0.187 3.868 4.556 -0.836 0.000 0.297 748 H C 2.146 177.529 175.328 0.092 0.000 1.097 748 H CA 2.480 58.551 56.048 0.039 0.000 1.285 748 H CB -0.230 29.563 29.762 0.053 0.000 1.368 748 H HN 0.607 nan 8.280 nan 0.000 0.495 749 Q N -1.014 118.788 119.800 0.004 0.000 2.020 749 Q HA -0.201 3.638 4.340 -0.835 0.000 0.202 749 Q C 2.323 178.296 176.000 -0.046 0.000 0.982 749 Q CA 1.418 57.185 55.803 -0.059 0.000 0.838 749 Q CB -0.308 28.438 28.738 0.013 0.000 0.899 749 Q HN 0.635 nan 8.270 nan 0.000 0.423 750 H N 0.823 119.838 119.070 -0.092 0.000 2.319 750 H HA -0.125 3.933 4.556 -0.830 0.000 0.299 750 H C 2.089 177.368 175.328 -0.081 0.000 1.092 750 H CA 1.609 57.623 56.048 -0.056 0.000 1.302 750 H CB -0.135 29.633 29.762 0.010 0.000 1.373 750 H HN 0.294 nan 8.280 nan 0.000 0.497 751 I N 0.070 120.595 120.570 -0.075 0.000 2.226 751 I HA -0.332 3.338 4.170 -0.835 0.000 0.245 751 I C 1.874 177.734 176.117 -0.427 0.000 1.100 751 I CA 1.329 62.502 61.300 -0.212 0.000 1.374 751 I CB -0.288 37.410 38.000 -0.503 0.000 1.057 751 I HN 0.118 nan 8.210 nan 0.000 0.413 752 Y N 0.978 121.035 120.300 -0.404 0.000 2.200 752 Y HA -0.198 3.854 4.550 -0.830 0.000 0.290 752 Y C 2.751 178.404 175.900 -0.412 0.000 1.137 752 Y CA 1.946 59.683 58.100 -0.606 0.000 1.163 752 Y CB -0.989 37.115 38.460 -0.593 0.000 0.988 752 Y HN 0.143 nan 8.280 nan 0.000 0.518 753 T N -1.547 112.900 114.554 -0.178 0.000 2.746 753 T HA -0.251 3.598 4.350 -0.835 0.000 0.267 753 T C 1.550 175.996 174.700 -0.424 0.000 1.039 753 T CA 1.984 63.912 62.100 -0.287 0.000 1.142 753 T CB -0.444 68.240 68.868 -0.307 0.000 0.866 753 T HN 0.426 nan 8.240 nan 0.000 0.444 754 H N 0.731 119.562 119.070 -0.400 0.000 2.326 754 H HA 0.149 4.208 4.556 -0.828 0.000 0.301 754 H C 2.159 177.402 175.328 -0.143 0.000 1.081 754 H CA 1.398 57.277 56.048 -0.282 0.000 1.334 754 H CB -0.185 29.459 29.762 -0.195 0.000 1.385 754 H HN 0.258 nan 8.280 nan 0.000 0.504 755 M N -0.745 118.785 119.600 -0.117 0.000 2.296 755 M HA -0.126 3.853 4.480 -0.835 0.000 0.265 755 M C 2.186 178.632 176.300 0.243 0.000 1.064 755 M CA 1.217 56.470 55.300 -0.079 0.000 1.109 755 M CB 0.149 32.460 32.600 -0.482 0.000 1.396 755 M HN 0.187 nan 8.290 nan 0.000 0.430 756 S N -0.670 115.189 115.700 0.265 0.000 2.371 756 S HA -0.104 3.865 4.470 -0.835 0.000 0.224 756 S C 1.582 176.360 174.600 0.297 0.000 1.029 756 S CA 0.947 59.414 58.200 0.446 0.000 0.978 756 S CB -0.539 62.970 63.200 0.515 0.000 0.833 756 S HN 0.587 nan 8.310 nan 0.000 0.466 757 H N -0.548 118.584 119.070 0.103 0.000 2.389 757 H HA -0.031 4.024 4.556 -0.835 0.000 0.299 757 H C 1.992 177.320 175.328 -0.001 0.000 1.081 757 H CA 1.340 57.396 56.048 0.015 0.000 1.345 757 H CB -0.155 29.555 29.762 -0.087 0.000 1.393 757 H HN 0.400 nan 8.280 nan 0.000 0.520 758 F N 1.285 121.222 119.950 -0.021 0.000 2.134 758 F HA -0.193 3.837 4.527 -0.829 0.000 0.299 758 F C 2.113 177.869 175.800 -0.072 0.000 1.097 758 F CA 1.100 59.059 58.000 -0.068 0.000 1.264 758 F CB -0.302 38.647 39.000 -0.086 0.000 1.001 758 F HN 0.021 nan 8.300 nan 0.000 0.479 759 L N 0.258 121.560 121.223 0.132 0.000 2.056 759 L HA -0.198 3.641 4.340 -0.835 0.000 0.207 759 L C 2.406 179.132 176.870 -0.241 0.000 1.078 759 L CA 1.445 56.197 54.840 -0.147 0.000 0.749 759 L CB -0.535 41.521 42.059 -0.005 0.000 0.901 759 L HN 0.103 nan 8.230 nan 0.000 0.433 760 K N -0.558 119.838 120.400 -0.006 0.000 2.283 760 K HA -0.195 3.624 4.320 -0.835 0.000 0.202 760 K C 1.992 178.591 176.600 -0.002 0.000 1.048 760 K CA 0.750 57.073 56.287 0.060 0.000 0.948 760 K CB -0.017 32.559 32.500 0.126 0.000 0.742 760 K HN 0.340 nan 8.250 nan 0.000 0.458 761 Q N 1.052 120.792 119.800 -0.101 0.000 2.163 761 Q HA -0.126 3.714 4.340 -0.835 0.000 0.198 761 Q C 2.178 178.065 176.000 -0.189 0.000 0.954 761 Q CA 1.232 56.953 55.803 -0.136 0.000 0.851 761 Q CB -0.521 28.110 28.738 -0.177 0.000 0.928 761 Q HN 0.332 nan 8.270 nan 0.000 0.459 762 c N 0.403 118.780 118.600 -0.372 0.000 2.422 762 c HA -0.030 4.040 4.570 -0.835 0.000 0.279 762 c C 1.890 175.969 174.090 -0.018 0.000 1.305 762 c CA 0.420 56.538 56.329 -0.352 0.000 1.757 762 c CB -1.234 40.910 42.510 -0.611 0.000 1.962 762 c HN 0.504 nan 8.230 nan 0.000 0.499 763 F N 2.124 122.050 119.950 -0.041 0.000 2.695 763 F HA 0.239 4.267 4.527 -0.832 0.000 0.303 763 F C 1.569 177.362 175.800 -0.012 0.000 1.091 763 F CA 0.315 58.310 58.000 -0.007 0.000 1.300 763 F CB -1.096 37.914 39.000 0.017 0.000 1.071 763 F HN 0.365 nan 8.300 nan 0.000 0.578 764 S N 0.406 116.189 115.700 0.138 0.000 3.436 764 S HA -0.233 3.736 4.470 -0.835 0.000 0.393 764 S C -0.461 174.189 174.600 0.083 0.000 0.914 764 S CA 0.126 58.369 58.200 0.071 0.000 1.317 764 S CB -2.638 60.592 63.200 0.051 0.000 0.920 764 S HN 0.318 nan 8.310 nan 0.000 0.564 765 L N 1.542 122.822 121.223 0.095 0.000 2.319 765 L HA 0.781 4.621 4.340 -0.835 0.000 0.267 765 L C -1.402 175.506 176.870 0.064 0.000 1.011 765 L CA -2.252 52.642 54.840 0.091 0.000 0.818 765 L CB 1.395 43.535 42.059 0.135 0.000 1.316 765 L HN 0.281 nan 8.230 nan 0.000 0.432 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.128 63.100 0.046 0.000 0.800 766 P CB 0.000 31.721 31.700 0.035 0.000 0.726