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 2bua_1_D DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.625 174.600 0.041 0.000 1.055 39 S CA 0.000 58.212 58.200 0.020 0.000 1.107 39 S CB 0.000 63.215 63.200 0.026 0.000 0.593 40 R N 1.587 122.125 120.500 0.062 0.000 2.980 40 R HA 0.416 4.756 4.340 -0.000 0.000 0.285 40 R C 0.276 176.626 176.300 0.084 0.000 1.072 40 R CA -0.033 56.114 56.100 0.078 0.000 1.203 40 R CB 0.202 30.559 30.300 0.095 0.000 1.163 40 R HN 0.344 nan 8.270 nan 0.000 0.545 41 R N -0.170 120.391 120.500 0.102 0.000 2.583 41 R HA 0.178 4.518 4.340 -0.000 0.000 0.268 41 R C 0.060 176.437 176.300 0.129 0.000 1.101 41 R CA -0.223 55.945 56.100 0.113 0.000 1.180 41 R CB 0.810 31.192 30.300 0.137 0.000 1.128 41 R HN 0.669 nan 8.270 nan 0.000 0.568 42 T N -2.366 112.271 114.554 0.139 0.000 2.950 42 T HA 0.205 4.555 4.350 -0.000 0.000 0.288 42 T C -0.707 174.120 174.700 0.213 0.000 1.035 42 T CA -0.713 61.484 62.100 0.162 0.000 1.028 42 T CB 0.867 69.824 68.868 0.148 0.000 1.109 42 T HN 0.465 nan 8.240 nan 0.000 0.514 43 Y N 2.834 123.191 120.300 0.095 0.000 2.480 43 Y HA 0.368 4.917 4.550 -0.000 0.000 0.341 43 Y C 0.969 177.009 175.900 0.234 0.000 1.031 43 Y CA -0.167 58.006 58.100 0.122 0.000 1.295 43 Y CB -0.053 38.427 38.460 0.033 0.000 1.162 43 Y HN 1.006 nan 8.280 nan 0.000 0.523 44 T N 3.020 117.542 114.554 -0.054 0.000 2.881 44 T HA 0.161 4.510 4.350 -0.000 0.000 0.278 44 T C 0.941 175.512 174.700 -0.216 0.000 0.982 44 T CA -0.805 61.297 62.100 0.004 0.000 0.989 44 T CB 1.298 70.161 68.868 -0.009 0.000 1.058 44 T HN 0.685 nan 8.240 nan 0.000 0.529 45 L N 1.364 122.296 121.223 -0.485 0.000 2.042 45 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 45 L C 2.524 179.249 176.870 -0.241 0.000 1.076 45 L CA 2.163 56.601 54.840 -0.671 0.000 0.749 45 L CB -1.619 39.910 42.059 -0.884 0.000 0.893 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.555 113.885 114.554 -0.191 0.000 2.788 46 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 46 T C 1.503 176.131 174.700 -0.121 0.000 1.044 46 T CA 1.406 63.431 62.100 -0.124 0.000 1.139 46 T CB -0.366 68.448 68.868 -0.088 0.000 0.867 46 T HN 0.402 nan 8.240 nan 0.000 0.454 47 D N 0.100 120.403 120.400 -0.162 0.000 2.144 47 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 47 D C 1.734 177.986 176.300 -0.080 0.000 0.984 47 D CA 1.037 54.939 54.000 -0.164 0.000 0.834 47 D CB -0.287 40.334 40.800 -0.298 0.000 0.955 47 D HN 0.423 nan 8.370 nan 0.000 0.465 48 Y N 1.602 121.765 120.300 -0.228 0.000 2.130 48 Y HA -0.076 4.473 4.550 -0.000 0.000 0.287 48 Y C 2.257 178.185 175.900 0.047 0.000 1.124 48 Y CA 1.138 59.259 58.100 0.035 0.000 1.118 48 Y CB -0.692 37.835 38.460 0.111 0.000 0.994 48 Y HN -0.142 nan 8.280 nan 0.000 0.497 49 L N 0.206 121.250 121.223 -0.298 0.000 2.127 49 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 49 L C 1.893 178.664 176.870 -0.164 0.000 1.089 49 L CA 1.488 56.131 54.840 -0.329 0.000 0.757 49 L CB -0.515 41.429 42.059 -0.192 0.000 0.899 49 L HN 0.146 nan 8.230 nan 0.000 0.434 50 K N -0.739 119.593 120.400 -0.112 0.000 2.374 50 K HA 0.177 4.497 4.320 -0.000 0.000 0.196 50 K C 0.830 177.402 176.600 -0.046 0.000 1.023 50 K CA 0.065 56.310 56.287 -0.070 0.000 1.103 50 K CB 0.581 33.039 32.500 -0.070 0.000 0.848 50 K HN 0.049 nan 8.250 nan 0.000 0.528 51 S N 1.021 116.711 115.700 -0.018 0.000 3.614 51 S HA -0.147 4.323 4.470 -0.000 0.000 0.360 51 S C 1.252 175.874 174.600 0.036 0.000 1.023 51 S CA 1.072 59.310 58.200 0.063 0.000 1.114 51 S CB -1.763 61.463 63.200 0.043 0.000 0.907 51 S HN 0.650 nan 8.310 nan 0.000 0.470 52 T N -2.411 112.119 114.554 -0.040 0.000 2.929 52 T HA 0.012 4.361 4.350 -0.000 0.000 0.271 52 T C 0.357 174.846 174.700 -0.352 0.000 1.085 52 T CA 0.851 62.809 62.100 -0.238 0.000 1.125 52 T CB -0.358 68.270 68.868 -0.400 0.000 0.874 52 T HN 0.385 nan 8.240 nan 0.000 0.494 53 F N 2.127 122.164 119.950 0.146 0.000 2.291 53 F HA 0.582 5.109 4.527 -0.000 0.000 0.368 53 F C 0.485 176.396 175.800 0.186 0.000 1.085 53 F CA -1.551 56.565 58.000 0.193 0.000 1.165 53 F CB 0.707 39.896 39.000 0.314 0.000 1.429 53 F HN -0.130 nan 8.300 nan 0.000 0.503 54 R N 1.722 122.362 120.500 0.233 0.000 2.401 54 R HA 0.432 4.771 4.340 -0.000 0.000 0.299 54 R C -1.131 175.297 176.300 0.214 0.000 1.064 54 R CA -0.090 56.121 56.100 0.184 0.000 1.000 54 R CB 0.543 30.893 30.300 0.085 0.000 0.973 54 R HN 0.367 nan 8.270 nan 0.000 0.438 55 V N 6.281 126.342 119.914 0.245 0.000 2.333 55 V HA 0.285 4.405 4.120 -0.000 0.000 0.274 55 V C 0.208 176.430 176.094 0.214 0.000 1.028 55 V CA -0.572 61.891 62.300 0.271 0.000 0.851 55 V CB 1.204 33.255 31.823 0.380 0.000 1.000 55 V HN 0.713 nan 8.190 nan 0.000 0.456 56 K N 4.532 124.991 120.400 0.098 0.000 2.098 56 K HA 0.686 5.006 4.320 -0.000 0.000 0.257 56 K C -0.602 175.990 176.600 -0.014 0.000 0.999 56 K CA -0.167 56.053 56.287 -0.112 0.000 0.924 56 K CB 1.169 33.584 32.500 -0.142 0.000 1.028 56 K HN 0.585 nan 8.250 nan 0.000 0.466 57 F N -1.367 118.533 119.950 -0.082 0.000 2.849 57 F HA 0.522 5.049 4.527 -0.000 0.000 0.341 57 F C -1.262 174.232 175.800 -0.510 0.000 1.185 57 F CA -1.338 56.401 58.000 -0.437 0.000 1.007 57 F CB 0.766 39.690 39.000 -0.127 0.000 1.454 57 F HN 0.352 nan 8.300 nan 0.000 0.518 58 Y N 0.545 120.459 120.300 -0.643 0.000 2.359 58 Y HA 0.482 5.032 4.550 -0.000 0.000 0.336 58 Y C -1.173 174.729 175.900 0.004 0.000 1.098 58 Y CA -0.656 57.272 58.100 -0.287 0.000 1.272 58 Y CB 1.391 39.538 38.460 -0.522 0.000 1.112 58 Y HN 0.734 nan 8.280 nan 0.000 0.481 59 T N 7.161 121.836 114.554 0.201 0.000 2.744 59 T HA 0.604 4.954 4.350 -0.000 0.000 0.291 59 T C -0.785 174.002 174.700 0.145 0.000 0.957 59 T CA -0.364 61.843 62.100 0.179 0.000 1.002 59 T CB 0.257 69.224 68.868 0.165 0.000 0.919 59 T HN 0.514 nan 8.240 nan 0.000 0.468 60 L N 1.552 122.812 121.223 0.062 0.000 2.327 60 L HA 0.752 5.092 4.340 -0.000 0.000 0.258 60 L C -0.802 176.033 176.870 -0.059 0.000 1.024 60 L CA -1.050 53.777 54.840 -0.022 0.000 0.825 60 L CB 1.651 43.439 42.059 -0.452 0.000 1.386 60 L HN 0.409 nan 8.230 nan 0.000 0.417 61 Q N 0.862 120.662 119.800 0.000 0.000 2.309 61 Q HA 0.387 4.727 4.340 -0.000 0.000 0.270 61 Q C -1.818 174.233 176.000 0.086 0.000 1.023 61 Q CA -0.290 55.554 55.803 0.068 0.000 0.758 61 Q CB 1.630 30.449 28.738 0.134 0.000 1.247 61 Q HN 0.648 nan 8.270 nan 0.000 0.455 62 W N 3.920 125.340 121.300 0.201 0.000 2.216 62 W HA 0.175 4.835 4.660 -0.000 0.000 0.326 62 W C 1.195 177.813 176.519 0.164 0.000 1.319 62 W CA -0.268 57.204 57.345 0.210 0.000 1.213 62 W CB 0.480 30.058 29.460 0.196 0.000 1.171 62 W HN 0.660 nan 8.180 nan 0.000 0.557 63 I N 0.377 121.172 120.570 0.375 0.000 4.225 63 I HA 0.392 4.562 4.170 -0.000 0.000 0.327 63 I C 0.333 176.560 176.117 0.183 0.000 1.422 63 I CA -0.195 61.234 61.300 0.216 0.000 1.150 63 I CB -0.180 37.878 38.000 0.097 0.000 1.192 63 I HN 0.275 nan 8.210 nan 0.000 0.440 64 S N 0.264 116.111 115.700 0.245 0.000 2.714 64 S HA 0.205 4.675 4.470 -0.000 0.000 0.280 64 S C -0.393 174.352 174.600 0.242 0.000 1.200 64 S CA 0.081 58.391 58.200 0.183 0.000 0.900 64 S CB 0.770 64.009 63.200 0.064 0.000 1.235 64 S HN 0.231 nan 8.310 nan 0.000 0.512 65 D N -0.066 120.491 120.400 0.263 0.000 2.349 65 D HA 0.077 4.716 4.640 -0.000 0.000 0.224 65 D C 1.059 177.638 176.300 0.464 0.000 1.029 65 D CA 1.136 55.303 54.000 0.278 0.000 0.879 65 D CB -0.418 40.529 40.800 0.246 0.000 0.906 65 D HN 0.798 nan 8.370 nan 0.000 0.528 66 H N -2.057 117.216 119.070 0.337 0.000 3.566 66 H HA 0.401 4.957 4.556 -0.000 0.000 0.259 66 H C -0.708 174.775 175.328 0.258 0.000 1.184 66 H CA -0.432 55.811 56.048 0.325 0.000 1.107 66 H CB -0.332 29.577 29.762 0.245 0.000 1.726 66 H HN 0.063 nan 8.280 nan 0.000 0.743 67 E N 1.007 121.230 120.200 0.039 0.000 2.312 67 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 67 E C -1.558 175.180 176.600 0.228 0.000 0.894 67 E CA -1.244 55.144 56.400 -0.019 0.000 0.773 67 E CB 2.894 32.468 29.700 -0.210 0.000 1.241 67 E HN 0.288 nan 8.360 nan 0.000 0.432 68 Y N -0.833 119.459 120.300 -0.013 0.000 2.581 68 Y HA 0.540 5.090 4.550 -0.000 0.000 0.337 68 Y C -1.979 173.920 175.900 -0.001 0.000 1.108 68 Y CA -1.285 56.736 58.100 -0.130 0.000 1.033 68 Y CB 0.688 38.739 38.460 -0.681 0.000 1.318 68 Y HN 0.362 nan 8.280 nan 0.000 0.459 69 L N 3.489 124.866 121.223 0.258 0.000 2.343 69 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 69 L C -1.295 175.862 176.870 0.479 0.000 1.056 69 L CA -1.061 53.924 54.840 0.242 0.000 0.804 69 L CB 1.588 43.709 42.059 0.104 0.000 1.203 69 L HN 0.802 nan 8.230 nan 0.000 0.440 70 Y N 2.217 122.707 120.300 0.316 0.000 2.401 70 Y HA 0.275 4.825 4.550 -0.000 0.000 0.330 70 Y C -0.601 175.409 175.900 0.182 0.000 1.071 70 Y CA -1.254 56.986 58.100 0.233 0.000 1.049 70 Y CB 1.515 40.122 38.460 0.244 0.000 1.239 70 Y HN 0.448 nan 8.280 nan 0.000 0.437 71 K N 5.392 125.522 120.400 -0.452 0.000 2.310 71 K HA 0.245 4.565 4.320 -0.000 0.000 0.290 71 K C -0.907 175.276 176.600 -0.696 0.000 1.077 71 K CA -0.244 55.829 56.287 -0.357 0.000 0.922 71 K CB 0.501 32.951 32.500 -0.083 0.000 1.057 71 K HN 0.820 nan 8.250 nan 0.000 0.479 72 Q N 4.392 123.989 119.800 -0.338 0.000 2.347 72 Q HA 0.111 4.450 4.340 -0.000 0.000 0.265 72 Q C -1.195 174.761 176.000 -0.073 0.000 1.024 72 Q CA -0.189 55.502 55.803 -0.188 0.000 0.731 72 Q CB 0.877 29.680 28.738 0.108 0.000 1.245 72 Q HN 0.781 nan 8.270 nan 0.000 0.472 73 E N 3.286 123.428 120.200 -0.096 0.000 2.553 73 E HA -0.313 4.037 4.350 -0.000 0.000 0.264 73 E C -0.461 176.102 176.600 -0.062 0.000 1.068 73 E CA 0.583 56.945 56.400 -0.064 0.000 0.774 73 E CB -1.085 28.602 29.700 -0.022 0.000 1.349 73 E HN 0.958 nan 8.360 nan 0.000 0.404 74 N N -1.368 117.266 118.700 -0.111 0.000 2.878 74 N HA -0.164 4.575 4.740 -0.000 0.000 0.247 74 N C -0.878 174.682 175.510 0.082 0.000 1.021 74 N CA 1.389 54.364 53.050 -0.125 0.000 0.873 74 N CB -0.984 37.434 38.487 -0.115 0.000 1.128 74 N HN 0.368 nan 8.380 nan 0.000 0.571 75 N N 0.442 119.168 118.700 0.044 0.000 2.361 75 N HA 0.543 5.283 4.740 -0.000 0.000 0.302 75 N C -0.168 175.370 175.510 0.047 0.000 1.074 75 N CA -0.333 52.766 53.050 0.081 0.000 0.850 75 N CB 1.434 39.945 38.487 0.039 0.000 1.228 75 N HN 0.091 nan 8.380 nan 0.000 0.491 76 I N 2.615 123.219 120.570 0.057 0.000 2.307 76 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 76 I C -0.522 175.637 176.117 0.070 0.000 1.021 76 I CA -0.461 60.837 61.300 -0.002 0.000 1.224 76 I CB 0.408 38.349 38.000 -0.097 0.000 1.376 76 I HN 0.244 nan 8.210 nan 0.000 0.470 77 L N 6.490 127.761 121.223 0.080 0.000 2.334 77 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 77 L C -0.569 176.257 176.870 -0.074 0.000 1.036 77 L CA -0.964 53.859 54.840 -0.028 0.000 0.807 77 L CB 1.940 43.923 42.059 -0.127 0.000 1.231 77 L HN 0.419 nan 8.230 nan 0.000 0.438 78 L N 2.441 123.531 121.223 -0.221 0.000 2.295 78 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 78 L C -1.048 175.574 176.870 -0.414 0.000 1.018 78 L CA 0.224 54.941 54.840 -0.205 0.000 0.841 78 L CB 0.427 42.450 42.059 -0.058 0.000 1.218 78 L HN 0.184 nan 8.230 nan 0.000 0.424 79 F N 3.553 123.239 119.950 -0.440 0.000 2.399 79 F HA 0.415 4.942 4.527 -0.000 0.000 0.334 79 F C 0.828 176.315 175.800 -0.523 0.000 1.097 79 F CA -0.335 57.316 58.000 -0.581 0.000 1.076 79 F CB 1.109 39.462 39.000 -1.079 0.000 1.162 79 F HN 0.506 nan 8.300 nan 0.000 0.495 80 N N 1.996 120.616 118.700 -0.132 0.000 2.501 80 N HA 0.269 5.009 4.740 -0.000 0.000 0.245 80 N C 0.517 175.951 175.510 -0.126 0.000 0.974 80 N CA 0.002 53.000 53.050 -0.088 0.000 0.941 80 N CB 1.662 40.171 38.487 0.036 0.000 1.122 80 N HN 0.791 nan 8.380 nan 0.000 0.507 81 A N 4.047 126.755 122.820 -0.186 0.000 1.986 81 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 81 A C 1.777 179.079 177.584 -0.469 0.000 1.171 81 A CA 1.503 53.331 52.037 -0.349 0.000 0.640 81 A CB -0.251 18.349 19.000 -0.667 0.000 0.811 81 A HN 0.832 nan 8.150 nan 0.000 0.451 82 E N -1.283 118.634 120.200 -0.472 0.000 2.007 82 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 82 E C 1.561 177.968 176.600 -0.322 0.000 0.999 82 E CA 1.780 57.916 56.400 -0.441 0.000 0.811 82 E CB -0.358 28.868 29.700 -0.790 0.000 0.762 82 E HN 0.844 nan 8.360 nan 0.000 0.450 83 Y N -0.833 119.480 120.300 0.021 0.000 2.466 83 Y HA 0.301 4.851 4.550 -0.000 0.000 0.272 83 Y C 1.758 177.665 175.900 0.011 0.000 1.169 83 Y CA 0.254 58.365 58.100 0.019 0.000 1.285 83 Y CB 0.206 38.680 38.460 0.023 0.000 1.078 83 Y HN 0.223 nan 8.280 nan 0.000 0.523 84 G N 0.776 109.631 108.800 0.091 0.000 2.220 84 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.269 84 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.269 84 G C 0.275 175.256 174.900 0.134 0.000 0.977 84 G CA 0.426 45.581 45.100 0.090 0.000 0.634 84 G HN 0.513 nan 8.290 nan 0.000 0.539 85 N N 0.759 119.535 118.700 0.127 0.000 2.525 85 N HA 0.529 5.269 4.740 -0.000 0.000 0.271 85 N C 0.017 175.506 175.510 -0.034 0.000 1.194 85 N CA 0.591 53.679 53.050 0.064 0.000 0.964 85 N CB 1.468 39.993 38.487 0.064 0.000 1.126 85 N HN 0.908 nan 8.380 nan 0.000 0.452 86 S N -0.612 114.988 115.700 -0.167 0.000 2.632 86 S HA 0.788 5.258 4.470 -0.000 0.000 0.289 86 S C -0.677 173.744 174.600 -0.298 0.000 1.115 86 S CA -0.840 57.089 58.200 -0.451 0.000 0.889 86 S CB 1.216 63.703 63.200 -1.188 0.000 1.116 86 S HN 0.920 nan 8.310 nan 0.000 0.486 87 S N 0.364 115.888 115.700 -0.294 0.000 2.569 87 S HA 0.662 5.132 4.470 -0.000 0.000 0.280 87 S C -0.654 173.867 174.600 -0.132 0.000 1.111 87 S CA -1.045 57.060 58.200 -0.158 0.000 0.887 87 S CB 0.532 63.681 63.200 -0.085 0.000 1.095 87 S HN 0.761 nan 8.310 nan 0.000 0.476 88 I N 2.452 122.974 120.570 -0.081 0.000 2.533 88 I HA 0.160 4.330 4.170 -0.000 0.000 0.284 88 I C 0.405 176.526 176.117 0.006 0.000 1.109 88 I CA -0.104 61.172 61.300 -0.040 0.000 1.412 88 I CB 0.404 38.376 38.000 -0.047 0.000 1.396 88 I HN 0.813 nan 8.210 nan 0.000 0.543 89 F N 7.488 127.377 119.950 -0.103 0.000 2.505 89 F HA 0.336 4.863 4.527 -0.000 0.000 0.289 89 F C 0.109 175.856 175.800 -0.088 0.000 1.101 89 F CA 0.153 58.101 58.000 -0.088 0.000 1.446 89 F CB 0.624 39.576 39.000 -0.080 0.000 1.123 89 F HN 0.294 nan 8.300 nan 0.000 0.564 90 L N 1.316 122.565 121.223 0.043 0.000 2.661 90 L HA 0.274 4.613 4.340 -0.000 0.000 0.263 90 L C -0.842 175.978 176.870 -0.083 0.000 0.956 90 L CA -0.454 54.336 54.840 -0.083 0.000 0.918 90 L CB 1.367 43.396 42.059 -0.051 0.000 1.280 90 L HN -0.043 nan 8.230 nan 0.000 0.416 91 E N 1.710 121.841 120.200 -0.114 0.000 2.437 91 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 91 E C 0.626 177.183 176.600 -0.071 0.000 1.030 91 E CA 0.557 56.910 56.400 -0.078 0.000 0.934 91 E CB 0.633 30.283 29.700 -0.082 0.000 0.943 91 E HN 0.700 nan 8.360 nan 0.000 0.444 92 N N 0.432 119.138 118.700 0.011 0.000 2.348 92 N HA -0.173 4.566 4.740 -0.000 0.000 0.185 92 N C 0.385 175.919 175.510 0.039 0.000 1.019 92 N CA 0.982 54.089 53.050 0.096 0.000 0.880 92 N CB -0.061 38.460 38.487 0.056 0.000 0.965 92 N HN 0.217 nan 8.380 nan 0.000 0.437 93 S N -2.364 113.308 115.700 -0.046 0.000 3.965 93 S HA 0.407 4.877 4.470 -0.000 0.000 0.195 93 S C 0.022 174.532 174.600 -0.150 0.000 1.449 93 S CA -0.536 57.620 58.200 -0.073 0.000 0.965 93 S CB 0.151 63.318 63.200 -0.056 0.000 1.459 93 S HN 0.275 nan 8.310 nan 0.000 0.476 94 T N -0.382 114.026 114.554 -0.242 0.000 3.285 94 T HA 0.171 4.521 4.350 -0.000 0.000 0.263 94 T C 0.456 174.865 174.700 -0.484 0.000 0.836 94 T CA -0.212 61.653 62.100 -0.391 0.000 0.849 94 T CB -0.406 68.106 68.868 -0.594 0.000 1.252 94 T HN 0.411 nan 8.240 nan 0.000 0.617 95 F N 2.880 122.641 119.950 -0.315 0.000 2.367 95 F HA 0.116 4.643 4.527 -0.000 0.000 0.298 95 F C 2.023 177.663 175.800 -0.267 0.000 1.094 95 F CA 0.333 58.103 58.000 -0.382 0.000 1.409 95 F CB -0.369 38.441 39.000 -0.317 0.000 1.064 95 F HN 0.114 nan 8.300 nan 0.000 0.528 96 D N 0.552 120.941 120.400 -0.018 0.000 2.218 96 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 96 D C 0.739 176.996 176.300 -0.072 0.000 1.007 96 D CA 1.573 55.549 54.000 -0.040 0.000 0.879 96 D CB -0.428 40.344 40.800 -0.046 0.000 0.918 96 D HN 0.396 nan 8.370 nan 0.000 0.449 97 E N 0.307 120.441 120.200 -0.111 0.000 2.914 97 E HA 0.310 4.660 4.350 -0.000 0.000 0.246 97 E C -0.395 176.088 176.600 -0.196 0.000 1.146 97 E CA -0.353 55.968 56.400 -0.133 0.000 0.803 97 E CB 0.095 29.738 29.700 -0.096 0.000 1.409 97 E HN 0.179 nan 8.360 nan 0.000 0.392 98 L N 1.671 122.720 121.223 -0.290 0.000 3.025 98 L HA 0.467 4.807 4.340 -0.000 0.000 0.307 98 L C 0.989 177.392 176.870 -0.778 0.000 1.303 98 L CA -0.074 54.494 54.840 -0.454 0.000 0.817 98 L CB 0.646 42.437 42.059 -0.446 0.000 1.227 98 L HN 0.738 nan 8.230 nan 0.000 0.571 99 G N 0.355 108.781 108.800 -0.623 0.000 3.079 99 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.214 99 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.214 99 G C 0.038 174.460 174.900 -0.796 0.000 1.335 99 G CA 0.594 45.158 45.100 -0.892 0.000 0.822 99 G HN 0.379 nan 8.290 nan 0.000 0.545 100 Y N -1.917 118.292 120.300 -0.150 0.000 2.035 100 Y HA 0.639 5.188 4.550 -0.000 0.000 0.227 100 Y C 0.641 176.489 175.900 -0.087 0.000 1.708 100 Y CA -0.428 57.626 58.100 -0.078 0.000 1.022 100 Y CB -0.655 37.794 38.460 -0.018 0.000 4.222 100 Y HN 0.475 nan 8.280 nan 0.000 0.218 101 S N 1.226 117.120 115.700 0.324 0.000 2.533 101 S HA 0.398 4.868 4.470 -0.000 0.000 0.282 101 S C -0.359 174.319 174.600 0.129 0.000 1.304 101 S CA -0.089 58.182 58.200 0.118 0.000 1.063 101 S CB 0.389 63.613 63.200 0.040 0.000 0.881 101 S HN 0.435 nan 8.310 nan 0.000 0.493 102 T N 4.126 118.671 114.554 -0.015 0.000 3.145 102 T HA 0.124 4.474 4.350 -0.000 0.000 0.362 102 T C 1.574 176.243 174.700 -0.051 0.000 1.340 102 T CA -0.789 61.313 62.100 0.003 0.000 1.069 102 T CB -0.116 68.705 68.868 -0.078 0.000 1.129 102 T HN 0.723 nan 8.240 nan 0.000 0.585 103 N N 1.921 120.620 118.700 -0.001 0.000 2.443 103 N HA -0.083 4.656 4.740 -0.000 0.000 0.184 103 N C -0.020 175.466 175.510 -0.040 0.000 1.037 103 N CA 0.887 53.889 53.050 -0.079 0.000 0.896 103 N CB 0.317 38.699 38.487 -0.174 0.000 0.959 103 N HN 0.434 nan 8.380 nan 0.000 0.442 104 D N -1.412 119.033 120.400 0.075 0.000 2.648 104 D HA 0.278 4.917 4.640 -0.000 0.000 0.244 104 D C -1.652 174.852 176.300 0.339 0.000 1.244 104 D CA -0.575 53.498 54.000 0.121 0.000 0.772 104 D CB 1.434 42.276 40.800 0.069 0.000 1.379 104 D HN 0.143 nan 8.370 nan 0.000 0.428 105 Y N -0.940 119.537 120.300 0.294 0.000 2.553 105 Y HA 0.768 5.318 4.550 -0.000 0.000 0.347 105 Y C -1.168 174.921 175.900 0.315 0.000 1.019 105 Y CA -0.979 57.367 58.100 0.410 0.000 1.032 105 Y CB 1.890 40.667 38.460 0.528 0.000 1.284 105 Y HN 0.126 nan 8.280 nan 0.000 0.466 106 S N 2.260 118.260 115.700 0.499 0.000 2.750 106 S HA 0.592 5.062 4.470 -0.000 0.000 0.276 106 S C -1.867 173.092 174.600 0.598 0.000 1.165 106 S CA -0.587 57.873 58.200 0.433 0.000 1.047 106 S CB 0.617 64.019 63.200 0.337 0.000 1.056 106 S HN 0.720 nan 8.310 nan 0.000 0.481 107 V N 5.174 125.349 119.914 0.436 0.000 2.498 107 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 107 V C 0.873 176.894 176.094 -0.122 0.000 1.048 107 V CA -0.552 61.885 62.300 0.228 0.000 0.967 107 V CB 1.328 33.226 31.823 0.125 0.000 0.988 107 V HN 1.011 nan 8.190 nan 0.000 0.473 108 S N 6.832 122.101 115.700 -0.718 0.000 2.566 108 S HA 0.130 4.600 4.470 -0.000 0.000 0.280 108 S C -1.105 173.217 174.600 -0.463 0.000 1.343 108 S CA -0.554 56.834 58.200 -1.354 0.000 1.036 108 S CB 0.588 62.782 63.200 -1.676 0.000 0.866 108 S HN 0.679 nan 8.310 nan 0.000 0.526 109 P HA -0.130 nan 4.420 nan 0.000 0.218 109 P C 0.661 177.916 177.300 -0.075 0.000 1.149 109 P CA 1.446 64.480 63.100 -0.109 0.000 0.817 109 P CB -0.254 31.410 31.700 -0.060 0.000 0.785 110 D N -0.827 119.517 120.400 -0.093 0.000 2.336 110 D HA -0.063 4.577 4.640 -0.000 0.000 0.229 110 D C 0.696 176.976 176.300 -0.034 0.000 1.061 110 D CA -0.225 53.757 54.000 -0.030 0.000 0.875 110 D CB -0.725 40.090 40.800 0.026 0.000 0.904 110 D HN -0.007 nan 8.370 nan 0.000 0.525 111 R N -1.115 119.353 120.500 -0.054 0.000 3.946 111 R HA -0.238 4.101 4.340 -0.000 0.000 0.329 111 R C 1.127 177.388 176.300 -0.066 0.000 1.209 111 R CA 1.306 57.418 56.100 0.020 0.000 0.909 111 R CB -2.246 28.122 30.300 0.114 0.000 1.355 111 R HN 0.351 nan 8.270 nan 0.000 0.539 112 Q N -1.141 118.541 119.800 -0.197 0.000 2.354 112 Q HA 0.123 4.463 4.340 -0.000 0.000 0.203 112 Q C -0.108 175.388 176.000 -0.841 0.000 0.933 112 Q CA 0.824 56.325 55.803 -0.504 0.000 0.901 112 Q CB 0.375 28.770 28.738 -0.572 0.000 1.007 112 Q HN 0.199 nan 8.270 nan 0.000 0.495 113 F N -0.948 118.881 119.950 -0.203 0.000 2.650 113 F HA 0.557 5.084 4.527 -0.000 0.000 0.320 113 F C -0.606 175.197 175.800 0.004 0.000 1.091 113 F CA -1.178 56.761 58.000 -0.100 0.000 0.962 113 F CB 1.653 40.624 39.000 -0.048 0.000 1.363 113 F HN -0.242 nan 8.300 nan 0.000 0.482 114 I N 1.613 122.404 120.570 0.369 0.000 2.722 114 I HA 0.505 4.675 4.170 -0.000 0.000 0.295 114 I C -2.061 174.169 176.117 0.188 0.000 1.161 114 I CA -0.904 60.563 61.300 0.278 0.000 1.032 114 I CB 1.789 39.839 38.000 0.083 0.000 1.244 114 I HN 0.423 nan 8.210 nan 0.000 0.421 115 L N 7.377 128.786 121.223 0.310 0.000 2.295 115 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 115 L C -1.315 175.705 176.870 0.251 0.000 1.035 115 L CA 0.075 55.035 54.840 0.199 0.000 0.806 115 L CB 1.249 43.405 42.059 0.163 0.000 1.214 115 L HN 0.364 nan 8.230 nan 0.000 0.426 116 F N 3.106 123.290 119.950 0.390 0.000 2.402 116 F HA 0.368 4.895 4.527 -0.000 0.000 0.355 116 F C 0.417 176.424 175.800 0.344 0.000 1.123 116 F CA -0.773 57.453 58.000 0.377 0.000 1.021 116 F CB 1.473 40.656 39.000 0.306 0.000 1.160 116 F HN 0.434 nan 8.300 nan 0.000 0.451 117 E N 5.080 125.547 120.200 0.445 0.000 2.174 117 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 117 E C -1.529 175.154 176.600 0.139 0.000 0.992 117 E CA -0.502 55.909 56.400 0.018 0.000 0.803 117 E CB 1.155 30.898 29.700 0.072 0.000 1.090 117 E HN 0.586 nan 8.360 nan 0.000 0.396 118 Y N 1.866 122.087 120.300 -0.132 0.000 2.725 118 Y HA 0.392 4.942 4.550 -0.000 0.000 0.333 118 Y C -0.309 175.640 175.900 0.081 0.000 1.242 118 Y CA -1.399 56.722 58.100 0.035 0.000 1.059 118 Y CB 0.500 39.016 38.460 0.093 0.000 1.306 118 Y HN 0.599 nan 8.280 nan 0.000 0.454 119 N N -0.109 118.777 118.700 0.310 0.000 2.783 119 N HA -0.277 4.463 4.740 -0.000 0.000 0.247 119 N C -1.355 174.173 175.510 0.029 0.000 1.089 119 N CA 0.726 53.884 53.050 0.181 0.000 0.690 119 N CB -1.606 36.927 38.487 0.078 0.000 0.991 119 N HN 0.884 nan 8.380 nan 0.000 0.552 120 Y N -0.013 120.229 120.300 -0.096 0.000 2.632 120 Y HA 0.312 4.862 4.550 -0.000 0.000 0.329 120 Y C 0.085 175.933 175.900 -0.087 0.000 1.174 120 Y CA 0.336 58.355 58.100 -0.136 0.000 1.469 120 Y CB 0.579 38.909 38.460 -0.216 0.000 1.242 120 Y HN 0.041 nan 8.280 nan 0.000 0.540 121 V N 8.057 127.800 119.914 -0.284 0.000 2.398 121 V HA 0.177 4.297 4.120 -0.000 0.000 0.282 121 V C -0.193 175.719 176.094 -0.304 0.000 1.014 121 V CA -1.377 60.812 62.300 -0.185 0.000 0.838 121 V CB 1.145 32.903 31.823 -0.109 0.000 1.018 121 V HN 0.711 nan 8.190 nan 0.000 0.432 122 K N 3.575 123.843 120.400 -0.220 0.000 2.414 122 K HA 0.194 4.514 4.320 -0.000 0.000 0.272 122 K C 0.366 176.852 176.600 -0.191 0.000 0.993 122 K CA 0.333 56.531 56.287 -0.149 0.000 0.964 122 K CB 1.185 33.727 32.500 0.070 0.000 0.925 122 K HN 0.808 nan 8.250 nan 0.000 0.487 123 Q N 2.545 122.190 119.800 -0.258 0.000 2.175 123 Q HA 0.179 4.519 4.340 -0.000 0.000 0.177 123 Q C -0.004 175.798 176.000 -0.330 0.000 0.636 123 Q CA -0.472 54.981 55.803 -0.584 0.000 0.657 123 Q CB 0.187 28.362 28.738 -0.939 0.000 1.760 123 Q HN 0.739 nan 8.270 nan 0.000 0.417 124 W N 0.405 121.698 121.300 -0.011 0.000 1.756 124 W HA 0.382 5.042 4.660 -0.000 0.000 0.638 124 W C 1.864 178.375 176.519 -0.014 0.000 1.472 124 W CA -0.693 56.676 57.345 0.040 0.000 1.437 124 W CB -0.134 29.314 29.460 -0.019 0.000 3.368 124 W HN 0.278 nan 8.180 nan 0.000 0.771 125 R N -0.618 119.991 120.500 0.183 0.000 2.073 125 R HA -0.122 4.218 4.340 -0.000 0.000 0.229 125 R C 1.774 177.944 176.300 -0.217 0.000 1.120 125 R CA 1.606 57.648 56.100 -0.097 0.000 0.967 125 R CB -0.353 29.757 30.300 -0.317 0.000 0.862 125 R HN 0.491 nan 8.270 nan 0.000 0.436 126 H N -1.043 118.089 119.070 0.104 0.000 2.695 126 H HA 0.152 4.708 4.556 -0.000 0.000 0.267 126 H C 0.754 176.141 175.328 0.097 0.000 0.973 126 H CA 0.525 56.653 56.048 0.133 0.000 1.223 126 H CB 0.211 30.036 29.762 0.105 0.000 1.442 126 H HN 0.152 nan 8.280 nan 0.000 0.478 127 S N 1.210 116.868 115.700 -0.069 0.000 2.593 127 S HA 0.351 4.821 4.470 -0.000 0.000 0.269 127 S C -0.300 174.100 174.600 -0.332 0.000 1.334 127 S CA -0.380 57.457 58.200 -0.605 0.000 1.015 127 S CB 0.709 62.994 63.200 -1.525 0.000 0.912 127 S HN 0.458 nan 8.310 nan 0.000 0.541 128 Y N -2.785 117.302 120.300 -0.356 0.000 2.841 128 Y HA 0.563 5.113 4.550 -0.000 0.000 0.373 128 Y C -0.886 174.923 175.900 -0.151 0.000 1.170 128 Y CA -0.823 57.061 58.100 -0.360 0.000 1.196 128 Y CB 0.272 38.350 38.460 -0.638 0.000 1.433 128 Y HN 0.960 nan 8.280 nan 0.000 0.479 129 T N 0.103 114.689 114.554 0.054 0.000 2.932 129 T HA 1.038 5.387 4.350 -0.000 0.000 0.289 129 T C -0.435 174.341 174.700 0.126 0.000 1.039 129 T CA -0.081 62.085 62.100 0.110 0.000 1.024 129 T CB 1.807 70.704 68.868 0.048 0.000 1.090 129 T HN 1.984 nan 8.240 nan 0.000 0.496 130 A N 0.941 123.832 122.820 0.120 0.000 2.564 130 A HA 0.787 5.106 4.320 -0.000 0.000 0.291 130 A C -0.622 176.806 177.584 -0.259 0.000 1.102 130 A CA -0.971 51.003 52.037 -0.106 0.000 0.660 130 A CB 1.081 19.977 19.000 -0.174 0.000 1.283 130 A HN 0.866 nan 8.150 nan 0.000 0.430 131 S N -0.755 114.561 115.700 -0.640 0.000 2.593 131 S HA 0.814 5.284 4.470 -0.000 0.000 0.297 131 S C -1.597 172.453 174.600 -0.917 0.000 1.112 131 S CA -0.078 57.701 58.200 -0.703 0.000 1.043 131 S CB 0.725 63.329 63.200 -0.994 0.000 1.054 131 S HN 0.446 nan 8.310 nan 0.000 0.516 132 Y N 0.189 120.362 120.300 -0.211 0.000 2.492 132 Y HA 0.454 5.004 4.550 -0.000 0.000 0.346 132 Y C -0.434 175.553 175.900 0.144 0.000 0.997 132 Y CA -0.985 57.126 58.100 0.018 0.000 1.025 132 Y CB 1.647 40.047 38.460 -0.101 0.000 1.263 132 Y HN 0.475 nan 8.280 nan 0.000 0.454 133 D N 2.682 123.337 120.400 0.425 0.000 2.481 133 D HA 0.525 5.164 4.640 -0.000 0.000 0.244 133 D C -0.778 175.655 176.300 0.222 0.000 1.057 133 D CA -0.304 53.886 54.000 0.317 0.000 0.848 133 D CB 2.450 43.482 40.800 0.387 0.000 1.388 133 D HN 0.407 nan 8.370 nan 0.000 0.475 134 I N 1.979 122.631 120.570 0.137 0.000 2.336 134 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 134 I C -0.788 175.437 176.117 0.180 0.000 0.991 134 I CA -0.942 60.430 61.300 0.119 0.000 1.227 134 I CB 1.162 39.191 38.000 0.048 0.000 1.366 134 I HN 0.227 nan 8.210 nan 0.000 0.466 135 Y N 5.568 125.869 120.300 0.002 0.000 2.328 135 Y HA 0.256 4.805 4.550 -0.000 0.000 0.337 135 Y C -0.056 175.908 175.900 0.106 0.000 0.966 135 Y CA -0.740 57.364 58.100 0.007 0.000 1.136 135 Y CB 1.058 39.420 38.460 -0.163 0.000 1.170 135 Y HN 0.499 nan 8.280 nan 0.000 0.470 136 D N 6.670 126.914 120.400 -0.259 0.000 2.342 136 D HA 0.043 4.683 4.640 -0.000 0.000 0.260 136 D C 0.871 176.854 176.300 -0.528 0.000 1.278 136 D CA 0.448 54.276 54.000 -0.287 0.000 0.910 136 D CB 0.827 41.504 40.800 -0.205 0.000 1.079 136 D HN 0.877 nan 8.370 nan 0.000 0.496 137 L N 3.558 124.545 121.223 -0.392 0.000 2.275 137 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 137 L C 2.050 178.731 176.870 -0.315 0.000 1.119 137 L CA 0.438 55.116 54.840 -0.269 0.000 0.790 137 L CB -0.254 41.660 42.059 -0.242 0.000 0.919 137 L HN 0.362 nan 8.230 nan 0.000 0.443 138 N N 1.322 119.791 118.700 -0.384 0.000 2.131 138 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 138 N C 1.517 176.882 175.510 -0.240 0.000 1.055 138 N CA 1.316 54.190 53.050 -0.294 0.000 0.853 138 N CB -0.292 38.013 38.487 -0.305 0.000 1.035 138 N HN 0.389 nan 8.380 nan 0.000 0.440 139 K N 1.667 121.919 120.400 -0.246 0.000 2.611 139 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 139 K C -0.211 176.251 176.600 -0.230 0.000 1.026 139 K CA 0.079 56.249 56.287 -0.195 0.000 1.063 139 K CB -0.117 32.286 32.500 -0.162 0.000 0.839 139 K HN 0.059 nan 8.250 nan 0.000 0.505 140 R N 1.372 121.692 120.500 -0.300 0.000 3.211 140 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 140 R C -0.621 175.423 176.300 -0.426 0.000 0.915 140 R CA 0.901 56.798 56.100 -0.338 0.000 0.621 140 R CB -1.707 28.541 30.300 -0.085 0.000 1.008 140 R HN 0.633 nan 8.270 nan 0.000 0.471 141 Q N -0.219 119.226 119.800 -0.593 0.000 2.852 141 Q HA 0.679 5.019 4.340 -0.000 0.000 0.262 141 Q C -0.449 175.254 176.000 -0.496 0.000 1.051 141 Q CA -1.096 54.483 55.803 -0.374 0.000 0.894 141 Q CB 1.543 30.164 28.738 -0.196 0.000 1.381 141 Q HN 0.257 nan 8.270 nan 0.000 0.501 142 L N 1.643 122.789 121.223 -0.128 0.000 2.372 142 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 142 L C -1.247 175.636 176.870 0.022 0.000 0.989 142 L CA -0.946 53.914 54.840 0.034 0.000 0.841 142 L CB 1.013 43.183 42.059 0.186 0.000 1.225 142 L HN 0.534 nan 8.230 nan 0.000 0.414 143 I N 4.181 124.768 120.570 0.029 0.000 2.828 143 I HA -0.093 4.077 4.170 -0.000 0.000 0.292 143 I C 1.574 177.702 176.117 0.018 0.000 1.206 143 I CA 1.036 62.347 61.300 0.019 0.000 1.420 143 I CB 0.958 38.966 38.000 0.013 0.000 1.368 143 I HN 0.737 nan 8.210 nan 0.000 0.556 144 T N 1.621 116.176 114.554 0.003 0.000 2.978 144 T HA 0.150 4.500 4.350 -0.000 0.000 0.248 144 T C 0.504 175.196 174.700 -0.014 0.000 1.018 144 T CA -0.374 61.727 62.100 0.000 0.000 1.026 144 T CB 0.025 68.893 68.868 -0.001 0.000 1.032 144 T HN 0.582 nan 8.240 nan 0.000 0.485 145 E N 1.948 122.137 120.200 -0.018 0.000 2.283 145 E HA 0.219 4.569 4.350 -0.000 0.000 0.271 145 E C -0.671 175.906 176.600 -0.037 0.000 1.031 145 E CA -0.510 55.875 56.400 -0.025 0.000 0.868 145 E CB 0.712 30.401 29.700 -0.018 0.000 1.094 145 E HN 0.135 nan 8.360 nan 0.000 0.401 146 E N 0.875 121.047 120.200 -0.047 0.000 2.252 146 E HA -0.209 4.141 4.350 -0.000 0.000 0.218 146 E C -0.438 176.108 176.600 -0.090 0.000 1.253 146 E CA 0.654 57.017 56.400 -0.063 0.000 0.705 146 E CB -1.275 28.400 29.700 -0.042 0.000 1.172 146 E HN 0.559 nan 8.360 nan 0.000 0.369 147 R N -0.313 120.125 120.500 -0.104 0.000 2.726 147 R HA 0.415 4.755 4.340 -0.000 0.000 0.272 147 R C 1.169 177.333 176.300 -0.227 0.000 1.097 147 R CA -0.532 55.493 56.100 -0.126 0.000 1.198 147 R CB 0.503 30.752 30.300 -0.085 0.000 1.114 147 R HN 0.095 nan 8.270 nan 0.000 0.550 148 I N 2.695 123.101 120.570 -0.272 0.000 2.441 148 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 148 I C -1.753 174.093 176.117 -0.452 0.000 1.049 148 I CA -1.927 59.073 61.300 -0.499 0.000 1.381 148 I CB 0.774 38.472 38.000 -0.503 0.000 1.409 148 I HN 0.267 nan 8.210 nan 0.000 0.523 149 P HA -0.031 nan 4.420 nan 0.000 0.270 149 P C -0.840 176.277 177.300 -0.306 0.000 1.216 149 P CA -0.088 62.624 63.100 -0.647 0.000 0.788 149 P CB 0.393 31.265 31.700 -1.379 0.000 0.883 150 N N 1.603 120.214 118.700 -0.147 0.000 2.509 150 N HA 0.197 4.937 4.740 -0.000 0.000 0.287 150 N C -0.228 175.403 175.510 0.201 0.000 1.121 150 N CA -0.066 52.992 53.050 0.012 0.000 0.977 150 N CB -0.089 38.419 38.487 0.034 0.000 1.167 150 N HN 0.326 nan 8.380 nan 0.000 0.476 151 N N -0.515 118.276 118.700 0.151 0.000 2.815 151 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 151 N C -1.056 174.635 175.510 0.301 0.000 1.114 151 N CA 0.582 53.746 53.050 0.190 0.000 0.717 151 N CB -1.885 36.715 38.487 0.188 0.000 1.074 151 N HN 0.465 nan 8.380 nan 0.000 0.555 152 T N 0.918 115.646 114.554 0.291 0.000 2.870 152 T HA 0.098 4.448 4.350 -0.000 0.000 0.300 152 T C 1.725 176.591 174.700 0.278 0.000 0.989 152 T CA 0.122 62.411 62.100 0.316 0.000 1.139 152 T CB 1.207 70.175 68.868 0.166 0.000 0.920 152 T HN 0.164 nan 8.240 nan 0.000 0.537 153 Q N 1.961 121.916 119.800 0.257 0.000 2.212 153 Q HA 0.119 4.459 4.340 -0.000 0.000 0.199 153 Q C 0.186 176.350 176.000 0.274 0.000 0.950 153 Q CA 0.586 56.543 55.803 0.258 0.000 0.863 153 Q CB 0.601 29.455 28.738 0.193 0.000 0.944 153 Q HN 0.694 nan 8.270 nan 0.000 0.465 154 W N -0.347 120.944 121.300 -0.015 0.000 3.464 154 W HA 0.524 5.183 4.660 -0.000 0.000 0.292 154 W C -2.323 174.144 176.519 -0.086 0.000 1.262 154 W CA -0.716 56.580 57.345 -0.082 0.000 1.202 154 W CB 1.028 30.384 29.460 -0.172 0.000 1.334 154 W HN -0.093 nan 8.180 nan 0.000 0.561 155 I N 4.075 124.037 120.570 -1.013 0.000 2.841 155 I HA 0.602 4.772 4.170 -0.000 0.000 0.298 155 I C -1.656 173.984 176.117 -0.795 0.000 1.304 155 I CA -0.012 60.863 61.300 -0.708 0.000 1.019 155 I CB 2.534 40.025 38.000 -0.848 0.000 1.282 155 I HN 0.360 nan 8.210 nan 0.000 0.432 156 T N 4.625 118.979 114.554 -0.334 0.000 2.942 156 T HA 0.428 4.778 4.350 -0.000 0.000 0.327 156 T C -1.628 173.093 174.700 0.035 0.000 1.360 156 T CA -0.298 61.734 62.100 -0.114 0.000 1.055 156 T CB 0.662 69.673 68.868 0.239 0.000 1.261 156 T HN 0.555 nan 8.240 nan 0.000 0.485 157 W N 2.583 123.913 121.300 0.050 0.000 2.086 157 W HA 0.503 5.163 4.660 -0.000 0.000 0.355 157 W C 1.175 177.530 176.519 -0.275 0.000 1.313 157 W CA -0.590 56.719 57.345 -0.060 0.000 1.358 157 W CB 0.598 30.036 29.460 -0.037 0.000 1.166 157 W HN 0.782 nan 8.180 nan 0.000 0.630 158 S N 0.500 115.960 115.700 -0.401 0.000 2.632 158 S HA 0.213 4.683 4.470 -0.000 0.000 0.267 158 S C -1.963 172.432 174.600 -0.342 0.000 1.276 158 S CA -1.063 56.478 58.200 -1.098 0.000 0.998 158 S CB 0.914 63.239 63.200 -1.457 0.000 0.953 158 S HN 0.240 nan 8.310 nan 0.000 0.547 159 P HA 0.017 nan 4.420 nan 0.000 0.222 159 P C 0.266 177.532 177.300 -0.057 0.000 1.147 159 P CA 0.809 63.889 63.100 -0.033 0.000 0.790 159 P CB -0.142 31.572 31.700 0.024 0.000 0.780 160 V N -7.198 112.633 119.914 -0.137 0.000 3.160 160 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 160 V C 0.494 176.483 176.094 -0.175 0.000 1.181 160 V CA -0.410 61.820 62.300 -0.115 0.000 1.047 160 V CB 1.045 32.815 31.823 -0.089 0.000 1.068 160 V HN 0.349 nan 8.190 nan 0.000 0.441 161 G N 1.543 110.256 108.800 -0.145 0.000 2.566 161 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.280 161 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.280 161 G C 0.242 175.035 174.900 -0.178 0.000 1.225 161 G CA 0.859 45.837 45.100 -0.203 0.000 0.966 161 G HN 2.573 nan 8.290 nan 0.000 0.560 162 H N -0.522 118.507 119.070 -0.068 0.000 2.907 162 H HA 0.438 4.993 4.556 -0.000 0.000 0.233 162 H C 0.361 175.818 175.328 0.215 0.000 1.285 162 H CA -0.160 55.869 56.048 -0.032 0.000 0.981 162 H CB -0.169 29.599 29.762 0.010 0.000 2.255 162 H HN 0.516 nan 8.280 nan 0.000 0.601 163 K N 1.439 121.856 120.400 0.029 0.000 2.138 163 K HA 0.531 4.851 4.320 -0.000 0.000 0.251 163 K C -0.379 176.330 176.600 0.182 0.000 1.015 163 K CA -0.417 55.890 56.287 0.033 0.000 0.917 163 K CB 1.507 33.865 32.500 -0.237 0.000 1.021 163 K HN 0.125 nan 8.250 nan 0.000 0.485 164 L N 0.574 121.902 121.223 0.174 0.000 2.422 164 L HA 0.592 4.932 4.340 -0.000 0.000 0.264 164 L C -1.176 175.876 176.870 0.305 0.000 0.984 164 L CA -0.857 54.049 54.840 0.110 0.000 0.819 164 L CB 2.234 44.206 42.059 -0.144 0.000 1.330 164 L HN 0.727 nan 8.230 nan 0.000 0.410 165 A N 2.308 125.324 122.820 0.326 0.000 2.393 165 A HA 0.879 5.199 4.320 -0.000 0.000 0.306 165 A C -1.737 175.923 177.584 0.126 0.000 1.050 165 A CA -0.388 51.764 52.037 0.190 0.000 0.724 165 A CB 1.491 20.577 19.000 0.143 0.000 1.248 165 A HN 0.671 nan 8.150 nan 0.000 0.424 166 Y N -0.971 119.325 120.300 -0.008 0.000 2.609 166 Y HA 0.731 5.280 4.550 -0.000 0.000 0.336 166 Y C -1.439 174.507 175.900 0.077 0.000 1.129 166 Y CA -1.531 56.551 58.100 -0.031 0.000 1.040 166 Y CB 0.964 39.330 38.460 -0.156 0.000 1.310 166 Y HN 0.447 nan 8.280 nan 0.000 0.460 167 V N 2.184 122.266 119.914 0.281 0.000 2.448 167 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 167 V C -1.456 174.878 176.094 0.400 0.000 1.025 167 V CA -0.560 61.873 62.300 0.222 0.000 0.859 167 V CB 1.328 33.193 31.823 0.070 0.000 0.988 167 V HN 0.866 nan 8.190 nan 0.000 0.431 168 W N 5.188 126.614 121.300 0.209 0.000 3.042 168 W HA 0.469 5.129 4.660 -0.001 0.000 0.337 168 W C 0.229 176.820 176.519 0.120 0.000 1.086 168 W CA -0.755 56.680 57.345 0.151 0.000 1.236 168 W CB 1.195 30.716 29.460 0.102 0.000 1.381 168 W HN 0.783 nan 8.180 nan 0.000 0.472 169 N N 5.381 123.723 118.700 -0.597 0.000 2.735 169 N HA -0.340 4.399 4.740 -0.000 0.000 0.248 169 N C 0.142 175.478 175.510 -0.291 0.000 1.083 169 N CA 1.074 53.756 53.050 -0.613 0.000 0.703 169 N CB -1.156 36.704 38.487 -1.045 0.000 1.005 169 N HN 0.874 nan 8.380 nan 0.000 0.550 170 N N -1.613 116.988 118.700 -0.166 0.000 2.800 170 N HA -0.175 4.565 4.740 -0.000 0.000 0.250 170 N C -1.364 174.070 175.510 -0.127 0.000 1.078 170 N CA 1.061 54.034 53.050 -0.127 0.000 0.804 170 N CB -0.283 38.076 38.487 -0.213 0.000 1.135 170 N HN 0.425 nan 8.380 nan 0.000 0.565 171 D N 0.299 120.639 120.400 -0.101 0.000 2.433 171 D HA 0.488 5.128 4.640 -0.000 0.000 0.236 171 D C 0.097 176.243 176.300 -0.257 0.000 1.026 171 D CA -0.386 53.472 54.000 -0.237 0.000 0.884 171 D CB 1.649 42.252 40.800 -0.329 0.000 1.384 171 D HN 0.014 nan 8.370 nan 0.000 0.477 172 I N 1.371 121.619 120.570 -0.536 0.000 2.428 172 I HA 0.275 4.445 4.170 -0.000 0.000 0.296 172 I C -0.745 174.892 176.117 -0.800 0.000 0.985 172 I CA -0.515 60.459 61.300 -0.543 0.000 1.260 172 I CB 0.654 38.259 38.000 -0.658 0.000 1.389 172 I HN 0.159 nan 8.210 nan 0.000 0.484 173 Y N 3.832 123.740 120.300 -0.653 0.000 2.512 173 Y HA 0.628 5.178 4.550 -0.000 0.000 0.348 173 Y C -0.384 175.167 175.900 -0.582 0.000 0.990 173 Y CA -0.936 56.732 58.100 -0.720 0.000 1.033 173 Y CB 2.107 39.873 38.460 -1.157 0.000 1.259 173 Y HN 0.111 nan 8.280 nan 0.000 0.461 174 V N 2.832 122.638 119.914 -0.181 0.000 2.588 174 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 174 V C -0.883 175.247 176.094 0.059 0.000 1.042 174 V CA -1.415 60.871 62.300 -0.023 0.000 0.877 174 V CB 1.980 33.810 31.823 0.013 0.000 0.996 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 3.246 123.719 120.400 0.121 0.000 2.483 175 K HA 0.445 4.764 4.320 -0.000 0.000 0.256 175 K C 0.463 177.130 176.600 0.112 0.000 0.961 175 K CA -0.333 56.017 56.287 0.106 0.000 0.873 175 K CB 1.661 34.219 32.500 0.096 0.000 1.107 175 K HN 0.615 nan 8.250 nan 0.000 0.432 176 N N 1.385 120.141 118.700 0.094 0.000 2.331 176 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 176 N C -0.372 175.203 175.510 0.108 0.000 1.019 176 N CA 0.792 53.893 53.050 0.084 0.000 0.881 176 N CB 0.410 38.936 38.487 0.064 0.000 0.972 176 N HN 0.436 nan 8.380 nan 0.000 0.435 177 E N -0.695 119.558 120.200 0.089 0.000 2.292 177 E HA 0.187 4.536 4.350 -0.000 0.000 0.272 177 E C -2.025 174.547 176.600 -0.048 0.000 0.881 177 E CA -1.896 54.545 56.400 0.068 0.000 0.754 177 E CB 1.966 31.707 29.700 0.068 0.000 1.201 177 E HN -0.147 nan 8.360 nan 0.000 0.425 178 P HA -0.181 nan 4.420 nan 0.000 0.217 178 P C 0.821 178.036 177.300 -0.142 0.000 1.148 178 P CA 1.367 64.303 63.100 -0.274 0.000 0.828 178 P CB 0.320 31.619 31.700 -0.668 0.000 0.783 179 N N -2.040 116.603 118.700 -0.095 0.000 2.299 179 N HA 0.002 4.742 4.740 -0.000 0.000 0.187 179 N C 0.340 175.837 175.510 -0.021 0.000 1.099 179 N CA 0.318 53.343 53.050 -0.041 0.000 0.867 179 N CB -0.077 38.401 38.487 -0.014 0.000 0.974 179 N HN 0.104 nan 8.380 nan 0.000 0.477 180 L N 1.429 122.645 121.223 -0.012 0.000 2.416 180 L HA 0.308 4.648 4.340 -0.000 0.000 0.262 180 L C 0.431 177.306 176.870 0.008 0.000 1.093 180 L CA -0.315 54.529 54.840 0.007 0.000 0.801 180 L CB 1.467 43.541 42.059 0.024 0.000 1.191 180 L HN -0.002 nan 8.230 nan 0.000 0.459 181 S N 0.732 116.441 115.700 0.016 0.000 2.549 181 S HA 0.113 4.583 4.470 -0.000 0.000 0.283 181 S C 0.386 175.012 174.600 0.043 0.000 1.320 181 S CA -0.508 57.705 58.200 0.020 0.000 1.058 181 S CB 0.642 63.856 63.200 0.025 0.000 0.882 181 S HN 0.684 nan 8.310 nan 0.000 0.498 182 S N 2.357 118.092 115.700 0.058 0.000 2.603 182 S HA 0.353 4.823 4.470 -0.000 0.000 0.268 182 S C -0.415 174.240 174.600 0.091 0.000 1.317 182 S CA -0.713 57.543 58.200 0.093 0.000 1.012 182 S CB 0.706 64.000 63.200 0.157 0.000 0.926 182 S HN 0.663 nan 8.310 nan 0.000 0.539 183 Q N 0.852 120.684 119.800 0.054 0.000 2.322 183 Q HA 0.370 4.710 4.340 -0.000 0.000 0.265 183 Q C -0.564 175.356 176.000 -0.134 0.000 0.985 183 Q CA -0.476 55.331 55.803 0.006 0.000 0.849 183 Q CB 1.243 29.984 28.738 0.005 0.000 1.274 183 Q HN 0.728 nan 8.270 nan 0.000 0.449 184 R N 4.815 125.167 120.500 -0.247 0.000 2.347 184 R HA 0.139 4.478 4.340 -0.000 0.000 0.304 184 R C 0.180 176.105 176.300 -0.624 0.000 1.072 184 R CA -0.076 55.563 56.100 -0.768 0.000 0.980 184 R CB 0.469 30.123 30.300 -1.077 0.000 0.986 184 R HN 0.784 nan 8.270 nan 0.000 0.448 185 I N 2.022 122.157 120.570 -0.724 0.000 3.081 185 I HA -0.029 4.141 4.170 -0.000 0.000 0.274 185 I C 1.127 176.951 176.117 -0.488 0.000 1.178 185 I CA 0.978 61.989 61.300 -0.481 0.000 1.460 185 I CB -0.425 37.277 38.000 -0.495 0.000 1.137 185 I HN 0.599 nan 8.210 nan 0.000 0.443 186 T N -3.911 110.188 114.554 -0.758 0.000 2.906 186 T HA 0.401 4.751 4.350 -0.000 0.000 0.295 186 T C -0.630 173.597 174.700 -0.788 0.000 1.061 186 T CA -0.545 61.222 62.100 -0.555 0.000 1.000 186 T CB 1.861 70.457 68.868 -0.454 0.000 1.103 186 T HN 0.146 nan 8.240 nan 0.000 0.486 187 W N 0.074 121.266 121.300 -0.181 0.000 2.714 187 W HA 0.220 4.881 4.660 0.001 0.000 0.353 187 W C 2.067 178.529 176.519 -0.094 0.000 0.999 187 W CA 0.070 57.340 57.345 -0.124 0.000 1.629 187 W CB -0.068 29.336 29.460 -0.093 0.000 1.106 187 W HN 0.900 nan 8.180 nan 0.000 0.545 188 T N -2.191 112.396 114.554 0.056 0.000 3.088 188 T HA 0.206 4.556 4.350 -0.000 0.000 0.259 188 T C 1.383 176.067 174.700 -0.026 0.000 1.122 188 T CA 0.365 62.482 62.100 0.029 0.000 1.095 188 T CB -0.457 68.431 68.868 0.034 0.000 0.930 188 T HN 0.037 nan 8.240 nan 0.000 0.508 189 G N 1.343 110.094 108.800 -0.081 0.000 2.187 189 G HA2 0.273 4.233 3.960 -0.000 0.000 0.239 189 G HA3 0.273 4.233 3.960 -0.000 0.000 0.239 189 G C -0.530 174.295 174.900 -0.126 0.000 1.200 189 G CA -0.270 44.756 45.100 -0.124 0.000 0.888 189 G HN 0.620 nan 8.290 nan 0.000 0.482 190 K N 1.864 122.159 120.400 -0.176 0.000 2.571 190 K HA 0.165 4.485 4.320 -0.000 0.000 0.252 190 K C -0.289 176.170 176.600 -0.235 0.000 0.956 190 K CA -0.689 55.502 56.287 -0.160 0.000 0.822 190 K CB 1.563 34.007 32.500 -0.093 0.000 1.286 190 K HN 0.641 nan 8.250 nan 0.000 0.439 191 E N 3.482 123.565 120.200 -0.195 0.000 2.652 191 E HA -0.153 4.196 4.350 -0.000 0.000 0.255 191 E C -0.390 176.128 176.600 -0.137 0.000 0.952 191 E CA 1.150 57.440 56.400 -0.183 0.000 0.947 191 E CB -0.011 29.621 29.700 -0.113 0.000 0.912 191 E HN 0.765 nan 8.360 nan 0.000 0.489 192 N N 1.654 120.275 118.700 -0.131 0.000 2.753 192 N HA -0.260 4.479 4.740 -0.000 0.000 0.251 192 N C 0.027 175.584 175.510 0.079 0.000 1.097 192 N CA 0.492 53.583 53.050 0.069 0.000 0.786 192 N CB -0.468 38.072 38.487 0.088 0.000 1.137 192 N HN 0.304 nan 8.380 nan 0.000 0.566 193 V N -1.069 118.803 119.914 -0.071 0.000 3.279 193 V HA 0.274 4.394 4.120 -0.000 0.000 0.213 193 V C 0.178 176.309 176.094 0.060 0.000 1.335 193 V CA 0.379 62.702 62.300 0.038 0.000 1.317 193 V CB 0.704 32.529 31.823 0.005 0.000 1.209 193 V HN 0.080 nan 8.190 nan 0.000 0.525 194 I N 0.937 121.445 120.570 -0.104 0.000 2.406 194 I HA 0.485 4.655 4.170 -0.000 0.000 0.290 194 I C -1.500 174.535 176.117 -0.137 0.000 0.999 194 I CA -0.547 60.756 61.300 0.004 0.000 1.124 194 I CB 1.250 39.255 38.000 0.009 0.000 1.289 194 I HN 0.236 nan 8.210 nan 0.000 0.441 195 Y N 4.461 124.836 120.300 0.124 0.000 2.331 195 Y HA 0.413 4.963 4.550 -0.000 0.000 0.334 195 Y C 0.249 176.213 175.900 0.107 0.000 0.960 195 Y CA -0.832 57.343 58.100 0.125 0.000 1.130 195 Y CB 1.288 39.875 38.460 0.211 0.000 1.164 195 Y HN 0.405 nan 8.280 nan 0.000 0.458 196 N N 2.176 120.950 118.700 0.124 0.000 2.446 196 N HA 0.397 5.137 4.740 -0.000 0.000 0.265 196 N C 0.767 176.247 175.510 -0.049 0.000 0.975 196 N CA 0.406 53.481 53.050 0.043 0.000 0.928 196 N CB 1.874 40.276 38.487 -0.142 0.000 1.160 196 N HN 0.986 nan 8.380 nan 0.000 0.495 197 G N 0.502 109.313 108.800 0.018 0.000 2.217 197 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 197 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 197 G C -0.047 174.738 174.900 -0.193 0.000 0.990 197 G CA 0.558 45.586 45.100 -0.120 0.000 0.627 197 G HN 0.689 nan 8.290 nan 0.000 0.522 198 V N -1.643 118.206 119.914 -0.108 0.000 3.078 198 V HA 0.920 5.040 4.120 -0.000 0.000 0.311 198 V C 0.358 176.413 176.094 -0.065 0.000 1.138 198 V CA -0.039 62.067 62.300 -0.323 0.000 1.007 198 V CB 1.376 32.734 31.823 -0.775 0.000 1.045 198 V HN 1.156 nan 8.190 nan 0.000 0.432 199 T N 0.003 114.421 114.554 -0.227 0.000 2.868 199 T HA 0.458 4.808 4.350 -0.000 0.000 0.292 199 T C -0.077 174.283 174.700 -0.567 0.000 1.028 199 T CA -0.089 61.653 62.100 -0.596 0.000 1.059 199 T CB 1.008 69.555 68.868 -0.536 0.000 0.991 199 T HN 1.095 nan 8.240 nan 0.000 0.531 200 D N 0.166 119.989 120.400 -0.962 0.000 2.478 200 D HA 0.033 4.673 4.640 -0.000 0.000 0.274 200 D C 0.969 177.074 176.300 -0.325 0.000 1.234 200 D CA -1.078 52.381 54.000 -0.902 0.000 1.069 200 D CB 0.020 40.331 40.800 -0.816 0.000 1.113 200 D HN 0.691 nan 8.370 nan 0.000 0.571 201 W N -0.005 121.157 121.300 -0.231 0.000 2.333 201 W HA -0.198 4.461 4.660 -0.000 0.000 0.316 201 W C 2.158 178.518 176.519 -0.265 0.000 1.215 201 W CA 2.183 59.405 57.345 -0.204 0.000 1.278 201 W CB -0.460 28.836 29.460 -0.274 0.000 1.154 201 W HN 0.177 nan 8.180 nan 0.000 0.486 202 V N -0.173 119.705 119.914 -0.060 0.000 2.548 202 V HA -0.278 3.841 4.120 -0.000 0.000 0.249 202 V C 1.825 177.649 176.094 -0.450 0.000 1.055 202 V CA 1.875 64.033 62.300 -0.236 0.000 1.065 202 V CB -0.696 31.052 31.823 -0.126 0.000 0.681 202 V HN 0.274 nan 8.190 nan 0.000 0.462 203 Y N 0.473 120.450 120.300 -0.538 0.000 2.314 203 Y HA -0.115 4.434 4.550 -0.000 0.000 0.293 203 Y C 2.551 178.141 175.900 -0.516 0.000 1.129 203 Y CA 1.937 59.654 58.100 -0.639 0.000 1.201 203 Y CB -0.015 37.789 38.460 -1.093 0.000 0.999 203 Y HN 0.363 nan 8.280 nan 0.000 0.541 204 E N 0.227 120.222 120.200 -0.341 0.000 2.047 204 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 204 E C 1.980 178.462 176.600 -0.196 0.000 0.987 204 E CA 1.481 57.761 56.400 -0.200 0.000 0.799 204 E CB 0.051 29.652 29.700 -0.164 0.000 0.752 204 E HN 0.364 nan 8.360 nan 0.000 0.449 205 E N 0.243 120.135 120.200 -0.513 0.000 2.076 205 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 205 E C 1.669 178.118 176.600 -0.253 0.000 0.979 205 E CA 1.452 57.566 56.400 -0.476 0.000 0.807 205 E CB 0.176 29.249 29.700 -1.046 0.000 0.761 205 E HN 0.217 nan 8.360 nan 0.000 0.454 206 E N -0.806 119.220 120.200 -0.290 0.000 2.372 206 E HA 0.086 4.436 4.350 -0.000 0.000 0.201 206 E C 1.915 178.420 176.600 -0.157 0.000 0.938 206 E CA 0.505 56.805 56.400 -0.166 0.000 0.944 206 E CB 0.700 30.291 29.700 -0.182 0.000 0.937 206 E HN 0.197 nan 8.360 nan 0.000 0.495 207 V N 0.097 119.875 119.914 -0.227 0.000 2.599 207 V HA 0.016 4.136 4.120 -0.000 0.000 0.237 207 V C 1.723 177.987 176.094 0.284 0.000 1.081 207 V CA 0.803 63.050 62.300 -0.088 0.000 1.107 207 V CB -0.298 31.301 31.823 -0.374 0.000 0.808 207 V HN 0.027 nan 8.190 nan 0.000 0.486 208 F N 0.698 120.632 119.950 -0.027 0.000 2.569 208 F HA 0.268 4.795 4.527 -0.000 0.000 0.295 208 F C 1.735 177.495 175.800 -0.066 0.000 1.115 208 F CA 0.111 58.121 58.000 0.016 0.000 1.450 208 F CB -0.794 38.247 39.000 0.070 0.000 1.107 208 F HN 0.158 nan 8.300 nan 0.000 0.563 209 S N -0.053 115.696 115.700 0.082 0.000 3.587 209 S HA 0.012 4.482 4.470 -0.000 0.000 0.337 209 S C 0.137 174.426 174.600 -0.518 0.000 1.119 209 S CA 0.482 58.620 58.200 -0.103 0.000 0.976 209 S CB -1.721 61.456 63.200 -0.040 0.000 0.922 209 S HN 0.674 nan 8.310 nan 0.000 0.503 210 A N -0.707 121.977 122.820 -0.226 0.000 2.601 210 A HA 0.721 5.041 4.320 -0.000 0.000 0.291 210 A C -0.395 177.210 177.584 0.035 0.000 1.075 210 A CA -0.424 51.495 52.037 -0.195 0.000 0.671 210 A CB 0.295 19.224 19.000 -0.119 0.000 1.277 210 A HN 0.380 nan 8.150 nan 0.000 0.417 211 Y N 1.068 121.268 120.300 -0.167 0.000 2.476 211 Y HA 0.265 4.815 4.550 -0.000 0.000 0.283 211 Y C 1.502 177.202 175.900 -0.334 0.000 1.109 211 Y CA 0.761 58.758 58.100 -0.172 0.000 1.246 211 Y CB 0.033 38.430 38.460 -0.105 0.000 1.068 211 Y HN 0.696 nan 8.280 nan 0.000 0.552 212 S N 0.701 116.022 115.700 -0.632 0.000 2.560 212 S HA 0.416 4.886 4.470 -0.000 0.000 0.284 212 S C 0.398 174.662 174.600 -0.560 0.000 1.327 212 S CA 0.344 57.879 58.200 -1.108 0.000 1.055 212 S CB 0.467 62.659 63.200 -1.680 0.000 0.868 212 S HN 0.464 nan 8.310 nan 0.000 0.506 213 A N 5.268 127.683 122.820 -0.675 0.000 2.709 213 A HA 0.476 4.795 4.320 -0.000 0.000 0.241 213 A C -0.523 176.395 177.584 -1.110 0.000 0.879 213 A CA -0.460 51.215 52.037 -0.603 0.000 1.120 213 A CB 0.045 19.072 19.000 0.045 0.000 1.226 213 A HN 0.695 nan 8.150 nan 0.000 0.468 214 L N 0.316 120.762 121.223 -1.295 0.000 2.381 214 L HA 0.648 4.988 4.340 -0.000 0.000 0.268 214 L C -1.198 175.156 176.870 -0.860 0.000 0.997 214 L CA -0.617 53.748 54.840 -0.792 0.000 0.818 214 L CB 1.996 43.850 42.059 -0.343 0.000 1.310 214 L HN 0.433 nan 8.230 nan 0.000 0.416 215 W N 2.243 123.621 121.300 0.130 0.000 2.740 215 W HA 0.199 4.858 4.660 -0.000 0.000 0.316 215 W C -1.157 175.587 176.519 0.375 0.000 1.020 215 W CA -1.099 56.433 57.345 0.312 0.000 1.278 215 W CB 1.042 30.736 29.460 0.390 0.000 1.224 215 W HN 0.479 nan 8.180 nan 0.000 0.393 216 W N 2.403 123.919 121.300 0.360 0.000 2.170 216 W HA 0.238 4.898 4.660 -0.000 0.000 0.336 216 W C 1.333 177.678 176.519 -0.290 0.000 1.283 216 W CA 0.517 57.927 57.345 0.108 0.000 1.224 216 W CB 0.818 30.320 29.460 0.071 0.000 1.132 216 W HN 0.168 nan 8.180 nan 0.000 0.571 217 S N 2.132 117.590 115.700 -0.404 0.000 2.614 217 S HA 0.242 4.712 4.470 -0.000 0.000 0.265 217 S C -1.842 172.522 174.600 -0.393 0.000 1.303 217 S CA -1.089 56.351 58.200 -1.266 0.000 1.000 217 S CB 1.187 63.681 63.200 -1.178 0.000 0.935 217 S HN 0.273 nan 8.310 nan 0.000 0.551 218 P HA -0.117 nan 4.420 nan 0.000 0.216 218 P C 0.668 177.942 177.300 -0.043 0.000 1.154 218 P CA 1.481 64.553 63.100 -0.047 0.000 0.865 218 P CB -0.060 31.658 31.700 0.030 0.000 0.789 219 N N -2.321 116.338 118.700 -0.068 0.000 2.273 219 N HA 0.208 4.948 4.740 -0.000 0.000 0.231 219 N C 0.775 176.225 175.510 -0.100 0.000 1.134 219 N CA 0.453 53.462 53.050 -0.067 0.000 0.856 219 N CB -0.435 38.026 38.487 -0.043 0.000 1.068 219 N HN -0.004 nan 8.380 nan 0.000 0.510 220 G N -0.846 107.901 108.800 -0.087 0.000 2.175 220 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.265 220 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.265 220 G C 1.152 176.088 174.900 0.060 0.000 0.979 220 G CA 1.170 46.244 45.100 -0.043 0.000 0.663 220 G HN 0.406 nan 8.290 nan 0.000 0.533 221 T N -0.308 114.181 114.554 -0.109 0.000 2.770 221 T HA 0.234 4.584 4.350 -0.000 0.000 0.263 221 T C 0.824 175.274 174.700 -0.417 0.000 1.039 221 T CA 1.325 63.209 62.100 -0.360 0.000 1.142 221 T CB -0.048 68.401 68.868 -0.699 0.000 0.868 221 T HN 0.312 nan 8.240 nan 0.000 0.435 222 F N 0.246 120.224 119.950 0.045 0.000 2.507 222 F HA 0.655 5.182 4.527 -0.000 0.000 0.327 222 F C -0.337 175.487 175.800 0.039 0.000 1.068 222 F CA -1.693 56.358 58.000 0.085 0.000 0.965 222 F CB 1.238 40.349 39.000 0.184 0.000 1.192 222 F HN -0.133 nan 8.300 nan 0.000 0.476 223 L N 2.620 123.949 121.223 0.177 0.000 2.372 223 L HA 0.810 5.150 4.340 -0.000 0.000 0.273 223 L C -0.670 176.277 176.870 0.129 0.000 0.989 223 L CA -0.561 54.194 54.840 -0.142 0.000 0.841 223 L CB 0.662 42.356 42.059 -0.609 0.000 1.225 223 L HN 0.680 nan 8.230 nan 0.000 0.414 224 A N 4.692 127.692 122.820 0.300 0.000 2.303 224 A HA 0.786 5.105 4.320 -0.000 0.000 0.317 224 A C -1.365 176.369 177.584 0.250 0.000 1.149 224 A CA -0.241 51.901 52.037 0.176 0.000 0.822 224 A CB 0.609 19.760 19.000 0.250 0.000 1.131 224 A HN 0.908 nan 8.150 nan 0.000 0.493 225 Y N -1.524 118.666 120.300 -0.183 0.000 2.609 225 Y HA 0.749 5.299 4.550 -0.000 0.000 0.336 225 Y C -0.441 175.413 175.900 -0.076 0.000 1.129 225 Y CA -0.946 57.114 58.100 -0.066 0.000 1.040 225 Y CB 0.854 39.214 38.460 -0.166 0.000 1.310 225 Y HN 0.951 nan 8.280 nan 0.000 0.460 226 A N 2.409 125.317 122.820 0.147 0.000 2.325 226 A HA 0.671 4.991 4.320 -0.000 0.000 0.333 226 A C -1.198 176.245 177.584 -0.236 0.000 1.155 226 A CA -0.847 51.118 52.037 -0.119 0.000 0.814 226 A CB 1.699 20.674 19.000 -0.042 0.000 1.206 226 A HN 0.831 nan 8.150 nan 0.000 0.482 227 Q N 1.167 120.742 119.800 -0.375 0.000 2.340 227 Q HA 0.622 4.962 4.340 -0.000 0.000 0.268 227 Q C -2.065 173.649 176.000 -0.477 0.000 1.031 227 Q CA -0.394 55.304 55.803 -0.174 0.000 0.804 227 Q CB 1.068 29.919 28.738 0.189 0.000 1.286 227 Q HN 0.586 nan 8.270 nan 0.000 0.448 228 F N 2.469 122.474 119.950 0.092 0.000 2.458 228 F HA 0.398 4.924 4.527 -0.000 0.000 0.336 228 F C 0.350 176.255 175.800 0.174 0.000 1.114 228 F CA -0.906 57.117 58.000 0.038 0.000 0.987 228 F CB 1.473 40.401 39.000 -0.121 0.000 1.130 228 F HN 0.442 nan 8.300 nan 0.000 0.458 229 N N 2.162 121.032 118.700 0.284 0.000 2.446 229 N HA 0.205 4.944 4.740 -0.000 0.000 0.265 229 N C -0.821 174.830 175.510 0.236 0.000 0.975 229 N CA -0.249 52.942 53.050 0.234 0.000 0.928 229 N CB 1.177 39.752 38.487 0.147 0.000 1.160 229 N HN 0.569 nan 8.380 nan 0.000 0.495 230 D N 1.561 122.120 120.400 0.266 0.000 2.424 230 D HA 0.136 4.776 4.640 -0.000 0.000 0.220 230 D C 1.186 177.583 176.300 0.162 0.000 1.150 230 D CA 0.128 54.266 54.000 0.229 0.000 0.831 230 D CB 0.547 41.533 40.800 0.310 0.000 0.981 230 D HN 0.475 nan 8.370 nan 0.000 0.500 231 T N 0.382 115.014 114.554 0.130 0.000 2.653 231 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 231 T C 1.333 176.079 174.700 0.077 0.000 1.035 231 T CA 1.308 63.462 62.100 0.090 0.000 1.154 231 T CB -0.046 68.865 68.868 0.072 0.000 0.862 231 T HN 0.328 nan 8.240 nan 0.000 0.441 232 E N 0.512 120.758 120.200 0.077 0.000 2.463 232 E HA 0.152 4.502 4.350 -0.000 0.000 0.193 232 E C -0.383 176.258 176.600 0.068 0.000 1.041 232 E CA -0.210 56.228 56.400 0.063 0.000 0.879 232 E CB 0.431 30.162 29.700 0.051 0.000 0.997 232 E HN 0.242 nan 8.360 nan 0.000 0.478 233 V N 3.404 123.371 119.914 0.087 0.000 2.488 233 V HA 0.131 4.251 4.120 -0.000 0.000 0.277 233 V C -2.028 174.115 176.094 0.081 0.000 1.046 233 V CA -1.696 60.658 62.300 0.091 0.000 0.986 233 V CB 0.527 32.419 31.823 0.114 0.000 0.989 233 V HN 0.014 nan 8.190 nan 0.000 0.475 234 P HA 0.227 nan 4.420 nan 0.000 0.269 234 P C -0.676 176.658 177.300 0.057 0.000 1.215 234 P CA -0.193 62.941 63.100 0.057 0.000 0.780 234 P CB 0.495 32.229 31.700 0.057 0.000 0.898 235 L N 2.402 123.639 121.223 0.024 0.000 2.307 235 L HA 0.438 4.778 4.340 -0.000 0.000 0.282 235 L C 0.318 177.150 176.870 -0.063 0.000 1.051 235 L CA -0.898 53.939 54.840 -0.005 0.000 0.804 235 L CB 0.975 43.024 42.059 -0.016 0.000 1.197 235 L HN 0.300 nan 8.230 nan 0.000 0.431 236 I N 2.766 123.258 120.570 -0.130 0.000 2.385 236 I HA 0.288 4.458 4.170 -0.000 0.000 0.294 236 I C -0.381 175.592 176.117 -0.240 0.000 0.988 236 I CA 0.215 61.353 61.300 -0.270 0.000 1.265 236 I CB 0.970 38.595 38.000 -0.625 0.000 1.388 236 I HN 0.577 nan 8.210 nan 0.000 0.480 237 E N 7.131 127.211 120.200 -0.200 0.000 2.293 237 E HA 0.543 4.893 4.350 -0.000 0.000 0.270 237 E C -1.808 174.729 176.600 -0.104 0.000 0.879 237 E CA -0.651 55.625 56.400 -0.206 0.000 0.756 237 E CB 2.296 31.903 29.700 -0.155 0.000 1.208 237 E HN 0.565 nan 8.360 nan 0.000 0.428 238 Y N -2.137 118.068 120.300 -0.159 0.000 2.609 238 Y HA 0.549 5.099 4.550 -0.000 0.000 0.336 238 Y C -0.876 174.941 175.900 -0.138 0.000 1.129 238 Y CA -1.255 56.755 58.100 -0.150 0.000 1.040 238 Y CB 0.927 39.299 38.460 -0.147 0.000 1.310 238 Y HN 0.235 nan 8.280 nan 0.000 0.460 239 S N 1.932 117.617 115.700 -0.026 0.000 2.562 239 S HA 0.490 4.960 4.470 -0.000 0.000 0.275 239 S C -1.425 172.996 174.600 -0.298 0.000 1.281 239 S CA -0.438 57.603 58.200 -0.265 0.000 1.045 239 S CB 0.583 63.490 63.200 -0.489 0.000 0.962 239 S HN 0.536 nan 8.310 nan 0.000 0.503 240 F N 2.684 122.378 119.950 -0.427 0.000 2.460 240 F HA 0.425 4.952 4.527 -0.000 0.000 0.341 240 F C -0.120 175.449 175.800 -0.384 0.000 1.130 240 F CA -1.025 56.811 58.000 -0.273 0.000 0.962 240 F CB 0.635 39.595 39.000 -0.066 0.000 1.171 240 F HN 0.650 nan 8.300 nan 0.000 0.436 241 Y N 2.832 122.886 120.300 -0.409 0.000 2.395 241 Y HA 0.063 4.613 4.550 -0.000 0.000 0.293 241 Y C 1.785 177.573 175.900 -0.185 0.000 1.123 241 Y CA 1.148 59.104 58.100 -0.240 0.000 1.227 241 Y CB -0.676 37.641 38.460 -0.237 0.000 1.012 241 Y HN 0.737 nan 8.280 nan 0.000 0.552 242 S N -0.110 115.424 115.700 -0.278 0.000 3.443 242 S HA -0.329 4.140 4.470 -0.000 0.000 0.635 242 S C -0.162 174.466 174.600 0.047 0.000 2.555 242 S CA 0.236 58.462 58.200 0.045 0.000 2.778 242 S CB -1.434 61.917 63.200 0.252 0.000 0.331 242 S HN 0.619 nan 8.310 nan 0.000 1.765 243 D N 1.005 121.462 120.400 0.094 0.000 2.443 243 D HA 0.209 4.849 4.640 -0.000 0.000 0.239 243 D C 1.441 177.767 176.300 0.043 0.000 1.136 243 D CA 0.877 54.914 54.000 0.062 0.000 0.879 243 D CB 0.493 41.333 40.800 0.067 0.000 1.195 243 D HN 0.547 nan 8.370 nan 0.000 0.443 244 E N 1.462 121.676 120.200 0.023 0.000 2.253 244 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 244 E C 1.306 177.914 176.600 0.013 0.000 1.014 244 E CA 1.406 57.811 56.400 0.009 0.000 0.823 244 E CB 0.016 29.716 29.700 -0.001 0.000 0.736 244 E HN 0.557 nan 8.360 nan 0.000 0.478 245 S N -0.212 115.502 115.700 0.024 0.000 2.522 245 S HA 0.002 4.472 4.470 -0.000 0.000 0.227 245 S C 1.024 175.646 174.600 0.036 0.000 0.986 245 S CA -0.174 58.041 58.200 0.026 0.000 0.929 245 S CB -0.021 63.196 63.200 0.029 0.000 0.769 245 S HN 0.228 nan 8.310 nan 0.000 0.529 246 L N 2.384 123.636 121.223 0.049 0.000 2.369 246 L HA 0.196 4.536 4.340 -0.000 0.000 0.279 246 L C 1.534 178.435 176.870 0.051 0.000 1.108 246 L CA -0.067 54.815 54.840 0.069 0.000 0.852 246 L CB 1.025 43.138 42.059 0.090 0.000 1.169 246 L HN 0.393 nan 8.230 nan 0.000 0.452 247 Q N 3.832 123.667 119.800 0.059 0.000 2.119 247 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 247 Q C -0.646 175.266 176.000 -0.147 0.000 0.972 247 Q CA 1.403 57.185 55.803 -0.035 0.000 0.847 247 Q CB 0.240 28.980 28.738 0.002 0.000 0.903 247 Q HN 0.566 nan 8.270 nan 0.000 0.433 248 Y N 0.096 120.407 120.300 0.019 0.000 2.364 248 Y HA 0.378 4.928 4.550 -0.000 0.000 0.340 248 Y C -2.077 173.828 175.900 0.009 0.000 0.975 248 Y CA -2.975 55.132 58.100 0.012 0.000 1.089 248 Y CB 1.315 39.775 38.460 -0.000 0.000 1.192 248 Y HN 0.083 nan 8.280 nan 0.000 0.454 249 P HA 0.118 nan 4.420 nan 0.000 0.271 249 P C -1.047 176.258 177.300 0.007 0.000 1.218 249 P CA -0.574 62.532 63.100 0.010 0.000 0.780 249 P CB 0.578 32.217 31.700 -0.102 0.000 0.901 250 K N 0.044 120.438 120.400 -0.010 0.000 2.118 250 K HA 0.589 4.909 4.320 -0.000 0.000 0.254 250 K C -0.736 175.823 176.600 -0.069 0.000 0.961 250 K CA -0.702 55.579 56.287 -0.011 0.000 0.876 250 K CB 0.594 33.108 32.500 0.024 0.000 1.077 250 K HN 0.176 nan 8.250 nan 0.000 0.440 251 T N 1.697 116.195 114.554 -0.093 0.000 2.743 251 T HA 0.213 4.563 4.350 -0.000 0.000 0.292 251 T C -0.178 174.399 174.700 -0.205 0.000 0.972 251 T CA -0.709 61.299 62.100 -0.152 0.000 0.967 251 T CB 0.986 69.777 68.868 -0.129 0.000 0.926 251 T HN 0.341 nan 8.240 nan 0.000 0.459 252 V N 5.268 124.968 119.914 -0.357 0.000 2.583 252 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 252 V C 0.465 176.298 176.094 -0.436 0.000 1.051 252 V CA -0.479 61.563 62.300 -0.430 0.000 1.010 252 V CB 0.886 32.291 31.823 -0.697 0.000 0.988 252 V HN 0.721 nan 8.190 nan 0.000 0.478 253 R N 5.043 125.407 120.500 -0.226 0.000 2.476 253 R HA 0.710 5.050 4.340 -0.000 0.000 0.305 253 R C -1.384 174.893 176.300 -0.039 0.000 0.965 253 R CA -0.534 55.477 56.100 -0.149 0.000 0.867 253 R CB 1.989 32.236 30.300 -0.088 0.000 1.176 253 R HN 0.603 nan 8.270 nan 0.000 0.447 254 I N 3.243 123.783 120.570 -0.051 0.000 2.533 254 I HA 0.342 4.511 4.170 -0.000 0.000 0.290 254 I C -2.414 173.734 176.117 0.052 0.000 1.056 254 I CA -2.693 58.632 61.300 0.041 0.000 1.057 254 I CB 2.733 40.689 38.000 -0.074 0.000 1.240 254 I HN 0.234 nan 8.210 nan 0.000 0.423 255 P HA 0.085 nan 4.420 nan 0.000 0.273 255 P C -1.473 175.916 177.300 0.148 0.000 1.319 255 P CA 0.190 63.376 63.100 0.144 0.000 0.885 255 P CB -0.155 31.666 31.700 0.200 0.000 1.015 256 Y N 6.875 127.142 120.300 -0.055 0.000 2.326 256 Y HA 0.469 5.019 4.550 -0.000 0.000 0.329 256 Y C -2.644 173.230 175.900 -0.044 0.000 0.973 256 Y CA -3.001 55.026 58.100 -0.121 0.000 1.162 256 Y CB 1.900 40.172 38.460 -0.314 0.000 1.147 256 Y HN 0.272 nan 8.280 nan 0.000 0.456 257 P HA 0.282 nan 4.420 nan 0.000 0.292 257 P C -1.232 176.113 177.300 0.074 0.000 1.326 257 P CA -0.390 62.743 63.100 0.055 0.000 0.787 257 P CB 1.605 33.319 31.700 0.023 0.000 0.903 258 K N 1.943 122.464 120.400 0.202 0.000 2.090 258 K HA 0.543 4.863 4.320 -0.000 0.000 0.250 258 K C 0.449 177.147 176.600 0.164 0.000 1.004 258 K CA -0.808 55.617 56.287 0.231 0.000 0.919 258 K CB 0.720 33.373 32.500 0.255 0.000 1.045 258 K HN 0.458 nan 8.250 nan 0.000 0.471 259 A N 0.873 123.816 122.820 0.206 0.000 2.592 259 A HA 0.179 4.499 4.320 -0.000 0.000 0.250 259 A C 1.255 178.890 177.584 0.086 0.000 1.017 259 A CA 1.211 53.361 52.037 0.187 0.000 0.794 259 A CB -1.378 17.800 19.000 0.297 0.000 0.917 259 A HN 0.942 nan 8.150 nan 0.000 0.515 260 G N 1.003 109.843 108.800 0.068 0.000 2.184 260 G HA2 0.084 4.044 3.960 -0.000 0.000 0.264 260 G HA3 0.084 4.044 3.960 -0.000 0.000 0.264 260 G C 0.719 175.638 174.900 0.031 0.000 0.975 260 G CA 0.968 46.082 45.100 0.023 0.000 0.642 260 G HN 2.258 nan 8.290 nan 0.000 0.536 261 A N -0.278 122.576 122.820 0.055 0.000 2.267 261 A HA 0.692 5.012 4.320 -0.000 0.000 0.271 261 A C 0.511 178.125 177.584 0.051 0.000 1.131 261 A CA 0.536 52.606 52.037 0.056 0.000 0.818 261 A CB 0.307 19.354 19.000 0.078 0.000 1.118 261 A HN 0.656 nan 8.150 nan 0.000 0.501 262 E N 0.646 120.875 120.200 0.050 0.000 2.366 262 E HA 0.149 4.499 4.350 -0.000 0.000 0.266 262 E C -0.390 176.248 176.600 0.064 0.000 1.015 262 E CA 0.178 56.605 56.400 0.047 0.000 0.906 262 E CB 0.112 29.839 29.700 0.045 0.000 0.979 262 E HN 0.539 nan 8.360 nan 0.000 0.443 263 N N 4.193 122.930 118.700 0.062 0.000 2.476 263 N HA 0.416 5.156 4.740 -0.000 0.000 0.275 263 N C -2.455 173.126 175.510 0.119 0.000 1.190 263 N CA -1.657 51.452 53.050 0.099 0.000 0.977 263 N CB 0.677 39.228 38.487 0.108 0.000 1.200 263 N HN 0.388 nan 8.380 nan 0.000 0.515 264 P HA 0.124 nan 4.420 nan 0.000 0.279 264 P C -0.429 177.000 177.300 0.215 0.000 1.239 264 P CA -0.207 63.020 63.100 0.212 0.000 0.789 264 P CB 0.483 32.341 31.700 0.262 0.000 0.933 265 T N -0.551 114.096 114.554 0.155 0.000 2.881 265 T HA 0.558 4.908 4.350 -0.000 0.000 0.278 265 T C -0.027 174.745 174.700 0.120 0.000 0.982 265 T CA -0.729 61.424 62.100 0.089 0.000 0.989 265 T CB 1.382 70.275 68.868 0.042 0.000 1.058 265 T HN 0.353 nan 8.240 nan 0.000 0.529 266 V N -0.014 119.938 119.914 0.062 0.000 3.114 266 V HA 0.764 4.883 4.120 -0.000 0.000 0.308 266 V C -1.686 174.406 176.094 -0.003 0.000 1.168 266 V CA -0.959 61.321 62.300 -0.033 0.000 1.015 266 V CB 2.264 34.072 31.823 -0.025 0.000 1.050 266 V HN 1.069 nan 8.190 nan 0.000 0.433 267 K N 3.759 124.079 120.400 -0.132 0.000 2.469 267 K HA 0.571 4.891 4.320 -0.000 0.000 0.254 267 K C -1.995 174.416 176.600 -0.315 0.000 0.939 267 K CA -0.432 55.727 56.287 -0.213 0.000 0.812 267 K CB 2.777 35.093 32.500 -0.306 0.000 1.301 267 K HN 0.557 nan 8.250 nan 0.000 0.433 268 F N 2.680 122.287 119.950 -0.571 0.000 2.493 268 F HA 0.552 5.079 4.527 -0.000 0.000 0.329 268 F C -1.538 173.797 175.800 -0.775 0.000 1.126 268 F CA -0.685 57.004 58.000 -0.518 0.000 0.937 268 F CB 0.788 39.622 39.000 -0.276 0.000 1.146 268 F HN 0.368 nan 8.300 nan 0.000 0.442 269 F N 4.620 123.925 119.950 -1.076 0.000 2.563 269 F HA 0.678 5.204 4.527 -0.000 0.000 0.316 269 F C -0.841 174.518 175.800 -0.734 0.000 1.076 269 F CA -1.269 56.268 58.000 -0.772 0.000 0.921 269 F CB 2.033 40.555 39.000 -0.796 0.000 1.209 269 F HN 0.071 nan 8.300 nan 0.000 0.462 270 V N 3.523 123.372 119.914 -0.109 0.000 2.350 270 V HA 0.402 4.521 4.120 -0.000 0.000 0.285 270 V C -0.513 175.736 176.094 0.259 0.000 1.014 270 V CA -0.792 61.480 62.300 -0.047 0.000 0.831 270 V CB 1.353 32.935 31.823 -0.402 0.000 1.000 270 V HN 0.533 nan 8.190 nan 0.000 0.433 271 V N 3.678 123.768 119.914 0.293 0.000 2.407 271 V HA 0.305 4.424 4.120 -0.000 0.000 0.278 271 V C 0.134 176.479 176.094 0.418 0.000 1.037 271 V CA -0.382 62.105 62.300 0.312 0.000 0.900 271 V CB 1.773 33.701 31.823 0.175 0.000 0.983 271 V HN 0.867 nan 8.190 nan 0.000 0.459 272 D N 3.644 124.305 120.400 0.435 0.000 2.365 272 D HA 0.082 4.722 4.640 -0.000 0.000 0.237 272 D C 1.358 177.742 176.300 0.141 0.000 1.190 272 D CA 0.043 54.254 54.000 0.351 0.000 0.867 272 D CB 1.679 42.711 40.800 0.386 0.000 1.050 272 D HN 0.736 nan 8.370 nan 0.000 0.491 273 T N 1.414 116.005 114.554 0.062 0.000 3.072 273 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 273 T C 1.711 176.436 174.700 0.042 0.000 1.127 273 T CA 0.415 62.556 62.100 0.070 0.000 1.107 273 T CB 0.048 69.008 68.868 0.153 0.000 0.910 273 T HN 0.312 nan 8.240 nan 0.000 0.513 274 R N 1.384 121.878 120.500 -0.010 0.000 2.127 274 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 274 R C 2.575 178.892 176.300 0.027 0.000 1.134 274 R CA 1.841 57.935 56.100 -0.009 0.000 0.975 274 R CB -0.602 29.671 30.300 -0.044 0.000 0.865 274 R HN 0.680 nan 8.270 nan 0.000 0.447 275 T N -1.761 112.823 114.554 0.050 0.000 3.107 275 T HA 0.211 4.561 4.350 -0.000 0.000 0.249 275 T C 0.682 175.418 174.700 0.059 0.000 1.096 275 T CA -0.207 61.929 62.100 0.059 0.000 1.012 275 T CB -0.013 68.901 68.868 0.077 0.000 0.977 275 T HN -0.019 nan 8.240 nan 0.000 0.527 276 L N 2.508 123.766 121.223 0.058 0.000 2.534 276 L HA 0.374 4.714 4.340 -0.000 0.000 0.271 276 L C 0.414 177.315 176.870 0.051 0.000 1.178 276 L CA 0.018 54.890 54.840 0.055 0.000 0.907 276 L CB 0.406 42.496 42.059 0.051 0.000 1.164 276 L HN 0.278 nan 8.230 nan 0.000 0.482 277 S N 4.216 119.948 115.700 0.053 0.000 2.537 277 S HA 0.462 4.931 4.470 -0.000 0.000 0.271 277 S C -1.967 172.667 174.600 0.057 0.000 1.148 277 S CA -1.082 57.148 58.200 0.050 0.000 0.868 277 S CB 1.960 65.188 63.200 0.045 0.000 1.115 277 S HN 0.363 nan 8.310 nan 0.000 0.461 278 P HA -0.085 nan 4.420 nan 0.000 0.217 278 P C 0.278 177.615 177.300 0.062 0.000 1.148 278 P CA 1.292 64.431 63.100 0.064 0.000 0.828 278 P CB -0.046 31.688 31.700 0.055 0.000 0.783 279 N N -0.629 118.100 118.700 0.048 0.000 2.273 279 N HA 0.288 5.028 4.740 -0.000 0.000 0.231 279 N C 0.170 175.701 175.510 0.035 0.000 1.134 279 N CA 0.004 53.076 53.050 0.038 0.000 0.856 279 N CB 0.841 39.346 38.487 0.030 0.000 1.068 279 N HN 0.132 nan 8.380 nan 0.000 0.510 280 A N 0.233 123.080 122.820 0.045 0.000 2.384 280 A HA 0.667 4.987 4.320 -0.000 0.000 0.312 280 A C 0.499 178.115 177.584 0.053 0.000 1.113 280 A CA -0.526 51.538 52.037 0.045 0.000 0.779 280 A CB 1.096 20.125 19.000 0.050 0.000 1.307 280 A HN 0.157 nan 8.150 nan 0.000 0.436 281 S N -0.072 115.656 115.700 0.047 0.000 2.661 281 S HA 0.557 5.027 4.470 -0.000 0.000 0.265 281 S C -0.027 174.619 174.600 0.077 0.000 1.225 281 S CA -0.478 57.753 58.200 0.051 0.000 0.986 281 S CB 0.673 63.892 63.200 0.031 0.000 1.008 281 S HN 0.887 nan 8.310 nan 0.000 0.565 282 V N 1.475 121.442 119.914 0.088 0.000 2.432 282 V HA 0.323 4.443 4.120 -0.000 0.000 0.275 282 V C 0.252 176.413 176.094 0.113 0.000 1.043 282 V CA -0.490 61.867 62.300 0.095 0.000 0.925 282 V CB 1.008 32.883 31.823 0.088 0.000 0.985 282 V HN 0.990 nan 8.190 nan 0.000 0.466 283 T N 4.803 119.441 114.554 0.139 0.000 2.747 283 T HA 0.480 4.830 4.350 -0.000 0.000 0.301 283 T C 0.099 174.948 174.700 0.249 0.000 0.952 283 T CA -0.181 62.032 62.100 0.188 0.000 0.983 283 T CB 0.442 69.430 68.868 0.200 0.000 0.930 283 T HN 0.926 nan 8.240 nan 0.000 0.494 284 S N 3.241 119.100 115.700 0.265 0.000 2.588 284 S HA 0.728 5.197 4.470 -0.000 0.000 0.275 284 S C -1.628 173.222 174.600 0.417 0.000 1.130 284 S CA -0.974 57.425 58.200 0.330 0.000 0.855 284 S CB 1.693 65.035 63.200 0.237 0.000 1.116 284 S HN 0.557 nan 8.310 nan 0.000 0.472 285 Y N 0.982 121.473 120.300 0.319 0.000 2.462 285 Y HA 0.555 5.104 4.550 -0.000 0.000 0.346 285 Y C -0.519 175.518 175.900 0.228 0.000 0.976 285 Y CA -0.579 57.702 58.100 0.302 0.000 1.044 285 Y CB 2.023 40.739 38.460 0.426 0.000 1.230 285 Y HN 0.912 nan 8.280 nan 0.000 0.455 286 Q N 6.046 125.560 119.800 -0.477 0.000 2.314 286 Q HA 0.506 4.846 4.340 -0.000 0.000 0.259 286 Q C -1.401 174.304 176.000 -0.490 0.000 0.951 286 Q CA -0.547 54.971 55.803 -0.474 0.000 0.909 286 Q CB 0.826 29.290 28.738 -0.457 0.000 1.236 286 Q HN 0.750 nan 8.270 nan 0.000 0.444 287 I N 5.142 125.614 120.570 -0.163 0.000 2.315 287 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 287 I C 0.187 176.301 176.117 -0.004 0.000 1.006 287 I CA -0.836 60.483 61.300 0.032 0.000 1.265 287 I CB 1.176 39.291 38.000 0.191 0.000 1.387 287 I HN 0.406 nan 8.210 nan 0.000 0.475 288 V N 5.531 125.388 119.914 -0.095 0.000 2.837 288 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 288 V C -2.302 173.550 176.094 -0.403 0.000 1.059 288 V CA -1.862 60.301 62.300 -0.228 0.000 1.004 288 V CB 0.947 32.629 31.823 -0.235 0.000 1.045 288 V HN 0.526 nan 8.190 nan 0.000 0.465 289 P HA 0.395 nan 4.420 nan 0.000 0.274 289 P C -2.811 174.070 177.300 -0.699 0.000 1.246 289 P CA -1.532 60.749 63.100 -1.365 0.000 0.795 289 P CB -0.228 30.097 31.700 -2.291 0.000 1.006 290 P HA 0.015 nan 4.420 nan 0.000 0.269 290 P C 0.847 177.973 177.300 -0.290 0.000 1.215 290 P CA 0.172 63.105 63.100 -0.279 0.000 0.780 290 P CB 0.094 31.701 31.700 -0.155 0.000 0.898 291 A N 2.249 124.948 122.820 -0.200 0.000 1.948 291 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 291 A C 2.091 179.558 177.584 -0.194 0.000 1.177 291 A CA 2.419 54.344 52.037 -0.187 0.000 0.636 291 A CB -1.847 17.076 19.000 -0.128 0.000 0.815 291 A HN 0.630 nan 8.150 nan 0.000 0.449 292 S N -1.125 114.480 115.700 -0.159 0.000 2.493 292 S HA -0.035 4.435 4.470 -0.000 0.000 0.243 292 S C 1.370 175.798 174.600 -0.286 0.000 0.991 292 S CA 1.388 59.472 58.200 -0.193 0.000 0.957 292 S CB -0.249 62.907 63.200 -0.074 0.000 0.756 292 S HN 0.273 nan 8.310 nan 0.000 0.521 293 V N 0.398 120.147 119.914 -0.275 0.000 3.212 293 V HA 0.291 4.411 4.120 -0.000 0.000 0.244 293 V C 2.042 177.895 176.094 -0.402 0.000 1.151 293 V CA 0.286 62.396 62.300 -0.317 0.000 1.119 293 V CB -0.220 31.389 31.823 -0.357 0.000 0.838 293 V HN 0.414 nan 8.190 nan 0.000 0.470 294 L N -0.186 120.782 121.223 -0.425 0.000 2.353 294 L HA -0.128 4.212 4.340 -0.000 0.000 0.220 294 L C 2.219 178.981 176.870 -0.180 0.000 1.133 294 L CA 1.181 55.812 54.840 -0.347 0.000 0.798 294 L CB -0.353 41.526 42.059 -0.299 0.000 0.922 294 L HN 0.336 nan 8.230 nan 0.000 0.445 295 I N -0.397 120.068 120.570 -0.174 0.000 2.091 295 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 295 I C 1.494 177.562 176.117 -0.082 0.000 1.046 295 I CA 1.753 62.977 61.300 -0.126 0.000 1.306 295 I CB -0.442 37.469 38.000 -0.148 0.000 1.018 295 I HN 0.342 nan 8.210 nan 0.000 0.404 296 G N -1.160 107.601 108.800 -0.065 0.000 3.243 296 G HA2 0.259 4.219 3.960 -0.000 0.000 0.248 296 G HA3 0.259 4.219 3.960 -0.000 0.000 0.248 296 G C -1.307 173.612 174.900 0.033 0.000 1.267 296 G CA -0.418 44.665 45.100 -0.029 0.000 0.906 296 G HN -0.006 nan 8.290 nan 0.000 0.592 297 D N 1.087 121.469 120.400 -0.029 0.000 2.423 297 D HA 0.346 4.986 4.640 -0.000 0.000 0.238 297 D C 0.241 176.472 176.300 -0.115 0.000 1.142 297 D CA 0.704 54.638 54.000 -0.110 0.000 0.884 297 D CB 0.563 41.259 40.800 -0.172 0.000 1.199 297 D HN 0.551 nan 8.370 nan 0.000 0.438 298 H N -1.242 117.679 119.070 -0.249 0.000 2.933 298 H HA 0.457 5.013 4.556 -0.000 0.000 0.310 298 H C -1.391 173.798 175.328 -0.231 0.000 1.351 298 H CA -0.786 55.125 56.048 -0.228 0.000 1.137 298 H CB 0.433 30.181 29.762 -0.024 0.000 1.853 298 H HN 0.297 nan 8.280 nan 0.000 0.539 299 Y N -0.174 120.358 120.300 0.387 0.000 2.581 299 Y HA 0.431 4.980 4.550 -0.000 0.000 0.345 299 Y C -0.570 175.649 175.900 0.532 0.000 1.036 299 Y CA -1.165 57.172 58.100 0.394 0.000 1.042 299 Y CB 1.992 40.538 38.460 0.144 0.000 1.289 299 Y HN 0.494 nan 8.280 nan 0.000 0.471 300 L N 2.772 124.391 121.223 0.661 0.000 2.265 300 L HA 0.471 4.810 4.340 -0.000 0.000 0.289 300 L C 0.227 177.334 176.870 0.394 0.000 1.033 300 L CA -0.440 54.479 54.840 0.132 0.000 0.814 300 L CB 0.501 42.510 42.059 -0.083 0.000 1.203 300 L HN 0.944 nan 8.230 nan 0.000 0.423 301 C N 1.649 121.028 119.300 0.132 0.000 3.183 301 C HA 0.867 5.327 4.460 -0.000 0.000 0.285 301 C C 0.700 175.638 174.990 -0.086 0.000 1.313 301 C CA -0.018 59.110 59.018 0.182 0.000 1.711 301 C CB -0.875 26.941 27.740 0.126 0.000 2.135 301 C HN 0.924 nan 8.230 nan 0.000 0.651 302 G N 0.153 108.760 108.800 -0.322 0.000 2.733 302 G HA2 0.561 4.520 3.960 -0.000 0.000 0.297 302 G HA3 0.561 4.520 3.960 -0.000 0.000 0.297 302 G C -1.784 172.691 174.900 -0.708 0.000 1.452 302 G CA -0.174 44.641 45.100 -0.476 0.000 0.940 302 G HN 0.301 nan 8.290 nan 0.000 0.547 303 V N 0.875 120.289 119.914 -0.833 0.000 2.638 303 V HA 0.840 4.959 4.120 -0.000 0.000 0.306 303 V C -0.334 175.314 176.094 -0.744 0.000 1.052 303 V CA -0.661 61.003 62.300 -1.060 0.000 0.885 303 V CB 2.127 32.843 31.823 -1.844 0.000 0.999 303 V HN 0.892 nan 8.190 nan 0.000 0.424 304 T N 3.049 117.226 114.554 -0.628 0.000 3.011 304 T HA 0.355 4.705 4.350 -0.000 0.000 0.303 304 T C -1.054 173.413 174.700 -0.389 0.000 0.997 304 T CA -0.431 61.453 62.100 -0.359 0.000 1.007 304 T CB 0.891 69.638 68.868 -0.201 0.000 1.017 304 T HN 0.546 nan 8.240 nan 0.000 0.443 305 W N 2.627 123.835 121.300 -0.152 0.000 2.266 305 W HA 0.383 5.043 4.660 -0.000 0.000 0.317 305 W C 1.114 177.538 176.519 -0.160 0.000 1.310 305 W CA -0.343 56.934 57.345 -0.114 0.000 1.207 305 W CB 0.741 30.222 29.460 0.034 0.000 1.199 305 W HN 0.465 nan 8.180 nan 0.000 0.544 306 V N 1.684 121.591 119.914 -0.011 0.000 2.521 306 V HA 0.085 4.204 4.120 -0.000 0.000 0.239 306 V C 0.885 177.034 176.094 0.092 0.000 1.053 306 V CA 1.570 63.768 62.300 -0.169 0.000 1.073 306 V CB -0.198 31.298 31.823 -0.546 0.000 0.746 306 V HN 0.676 nan 8.190 nan 0.000 0.476 307 T N -4.278 110.397 114.554 0.203 0.000 2.681 307 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 307 T C 0.342 175.247 174.700 0.343 0.000 1.157 307 T CA -0.492 61.745 62.100 0.227 0.000 1.025 307 T CB 1.844 70.818 68.868 0.177 0.000 1.441 307 T HN -0.050 nan 8.240 nan 0.000 0.504 308 E N 0.446 120.802 120.200 0.259 0.000 2.409 308 E HA -0.031 4.318 4.350 -0.000 0.000 0.198 308 E C 0.723 177.611 176.600 0.480 0.000 1.024 308 E CA 0.951 57.528 56.400 0.295 0.000 0.861 308 E CB 0.120 29.927 29.700 0.178 0.000 0.788 308 E HN 0.740 nan 8.360 nan 0.000 0.521 309 E N -0.029 120.414 120.200 0.405 0.000 2.758 309 E HA 0.160 4.509 4.350 -0.000 0.000 0.215 309 E C 0.169 177.003 176.600 0.389 0.000 0.985 309 E CA -0.164 56.435 56.400 0.331 0.000 1.102 309 E CB 1.012 30.836 29.700 0.207 0.000 1.042 309 E HN -0.123 nan 8.360 nan 0.000 0.480 310 R N 1.680 122.468 120.500 0.480 0.000 2.510 310 R HA 0.467 4.807 4.340 -0.000 0.000 0.294 310 R C -1.802 174.567 176.300 0.116 0.000 1.056 310 R CA -0.393 55.880 56.100 0.289 0.000 0.918 310 R CB 1.243 31.607 30.300 0.106 0.000 1.187 310 R HN 0.071 nan 8.270 nan 0.000 0.437 311 I N 2.411 122.916 120.570 -0.109 0.000 2.569 311 I HA 0.405 4.575 4.170 -0.000 0.000 0.296 311 I C -1.065 174.741 176.117 -0.518 0.000 1.028 311 I CA -0.506 60.434 61.300 -0.598 0.000 1.082 311 I CB 2.282 39.554 38.000 -1.212 0.000 1.264 311 I HN 0.636 nan 8.210 nan 0.000 0.429 312 S N 7.610 122.942 115.700 -0.613 0.000 2.456 312 S HA 0.638 5.107 4.470 -0.000 0.000 0.316 312 S C -0.939 173.323 174.600 -0.564 0.000 1.089 312 S CA -0.657 57.254 58.200 -0.482 0.000 1.101 312 S CB 0.503 63.460 63.200 -0.406 0.000 0.995 312 S HN 0.496 nan 8.310 nan 0.000 0.468 313 L N 4.373 125.293 121.223 -0.505 0.000 2.346 313 L HA 0.579 4.919 4.340 -0.000 0.000 0.276 313 L C -0.146 176.432 176.870 -0.488 0.000 1.006 313 L CA -0.677 53.753 54.840 -0.684 0.000 0.817 313 L CB 1.930 43.516 42.059 -0.789 0.000 1.272 313 L HN 0.612 nan 8.230 nan 0.000 0.421 314 Q N 2.244 121.699 119.800 -0.576 0.000 2.341 314 Q HA 0.398 4.738 4.340 -0.000 0.000 0.268 314 Q C -1.872 173.935 176.000 -0.322 0.000 1.013 314 Q CA -0.520 55.094 55.803 -0.315 0.000 0.798 314 Q CB 1.303 29.893 28.738 -0.246 0.000 1.253 314 Q HN 0.463 nan 8.270 nan 0.000 0.457 315 W N 3.818 125.093 121.300 -0.041 0.000 2.647 315 W HA 0.701 5.361 4.660 -0.000 0.000 0.353 315 W C -0.540 176.041 176.519 0.104 0.000 1.080 315 W CA -0.656 56.720 57.345 0.051 0.000 1.208 315 W CB 1.251 30.718 29.460 0.012 0.000 1.396 315 W HN 0.511 nan 8.180 nan 0.000 0.573 316 I N 1.286 122.121 120.570 0.441 0.000 2.802 316 I HA 0.443 4.613 4.170 -0.000 0.000 0.298 316 I C -0.189 176.125 176.117 0.327 0.000 1.176 316 I CA -1.225 60.283 61.300 0.347 0.000 1.025 316 I CB 1.550 39.724 38.000 0.291 0.000 1.243 316 I HN 0.411 nan 8.210 nan 0.000 0.424 317 R N 3.942 124.595 120.500 0.256 0.000 2.679 317 R HA 0.246 4.586 4.340 -0.000 0.000 0.269 317 R C 1.038 177.379 176.300 0.067 0.000 1.076 317 R CA -0.284 55.891 56.100 0.125 0.000 1.160 317 R CB 0.533 30.871 30.300 0.063 0.000 1.054 317 R HN 0.585 nan 8.270 nan 0.000 0.507 318 R N 1.461 121.912 120.500 -0.082 0.000 2.105 318 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 318 R C 1.848 178.181 176.300 0.055 0.000 1.135 318 R CA 1.978 57.999 56.100 -0.132 0.000 0.967 318 R CB -0.312 29.879 30.300 -0.181 0.000 0.861 318 R HN 0.770 nan 8.270 nan 0.000 0.442 319 A N 0.217 123.060 122.820 0.038 0.000 1.978 319 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 319 A C 0.887 178.511 177.584 0.068 0.000 1.170 319 A CA 1.692 53.756 52.037 0.045 0.000 0.636 319 A CB -0.154 18.867 19.000 0.034 0.000 0.810 319 A HN 0.639 nan 8.150 nan 0.000 0.448 320 Q N -2.154 117.716 119.800 0.118 0.000 2.506 320 Q HA -0.179 4.161 4.340 -0.000 0.000 0.268 320 Q C -0.092 175.989 176.000 0.135 0.000 1.002 320 Q CA 0.652 56.535 55.803 0.135 0.000 1.052 320 Q CB -1.848 26.933 28.738 0.072 0.000 1.383 320 Q HN 0.978 nan 8.270 nan 0.000 0.537 321 N N -0.560 118.222 118.700 0.136 0.000 2.197 321 N HA 0.079 4.819 4.740 -0.000 0.000 0.228 321 N C -0.839 174.763 175.510 0.154 0.000 1.212 321 N CA -0.005 53.111 53.050 0.109 0.000 0.883 321 N CB 0.503 39.032 38.487 0.071 0.000 1.107 321 N HN 0.311 nan 8.380 nan 0.000 0.519 322 Y N 1.688 122.017 120.300 0.047 0.000 2.307 322 Y HA 0.507 5.057 4.550 -0.000 0.000 0.323 322 Y C -1.141 174.799 175.900 0.066 0.000 1.100 322 Y CA -1.087 57.039 58.100 0.044 0.000 1.140 322 Y CB 1.087 39.562 38.460 0.026 0.000 1.159 322 Y HN 0.154 nan 8.280 nan 0.000 0.436 323 S N 6.342 121.990 115.700 -0.087 0.000 2.634 323 S HA 0.868 5.338 4.470 -0.000 0.000 0.296 323 S C -1.339 173.203 174.600 -0.097 0.000 1.104 323 S CA -0.801 57.423 58.200 0.040 0.000 0.920 323 S CB 2.402 65.633 63.200 0.051 0.000 1.111 323 S HN 0.799 nan 8.310 nan 0.000 0.493 324 I N 0.840 121.447 120.570 0.061 0.000 2.752 324 I HA 0.527 4.697 4.170 -0.000 0.000 0.295 324 I C -1.893 174.276 176.117 0.085 0.000 1.219 324 I CA -1.246 60.081 61.300 0.046 0.000 1.030 324 I CB 1.664 39.730 38.000 0.111 0.000 1.259 324 I HN 0.795 nan 8.210 nan 0.000 0.423 325 I N 5.694 126.287 120.570 0.039 0.000 2.336 325 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 325 I C -1.081 175.074 176.117 0.064 0.000 0.991 325 I CA -0.245 61.049 61.300 -0.010 0.000 1.227 325 I CB 1.434 39.351 38.000 -0.139 0.000 1.366 325 I HN 0.469 nan 8.210 nan 0.000 0.466 326 D N 7.530 127.957 120.400 0.044 0.000 2.425 326 D HA 0.447 5.087 4.640 -0.000 0.000 0.240 326 D C -0.701 175.589 176.300 -0.016 0.000 1.080 326 D CA -0.274 53.759 54.000 0.054 0.000 0.836 326 D CB 1.202 42.065 40.800 0.104 0.000 1.125 326 D HN 0.263 nan 8.370 nan 0.000 0.525 327 I N 4.203 124.788 120.570 0.025 0.000 2.306 327 I HA 0.268 4.437 4.170 -0.000 0.000 0.288 327 I C -0.314 175.817 176.117 0.025 0.000 1.036 327 I CA -0.705 60.589 61.300 -0.010 0.000 1.221 327 I CB 0.862 38.906 38.000 0.073 0.000 1.385 327 I HN 0.276 nan 8.210 nan 0.000 0.472 328 C N 4.501 123.811 119.300 0.016 0.000 2.330 328 C HA 0.398 4.858 4.460 -0.000 0.000 0.344 328 C C 0.073 175.209 174.990 0.243 0.000 1.273 328 C CA -0.717 58.383 59.018 0.136 0.000 1.879 328 C CB 0.463 28.318 27.740 0.191 0.000 2.376 328 C HN 0.574 nan 8.230 nan 0.000 0.534 329 D N 0.768 121.269 120.400 0.167 0.000 2.168 329 D HA 0.226 4.866 4.640 -0.000 0.000 0.246 329 D C -0.524 175.709 176.300 -0.111 0.000 1.050 329 D CA -0.178 53.875 54.000 0.089 0.000 0.857 329 D CB 0.952 41.769 40.800 0.028 0.000 1.169 329 D HN 0.595 nan 8.370 nan 0.000 0.453 330 Y N 1.831 121.804 120.300 -0.545 0.000 2.402 330 Y HA 0.094 4.644 4.550 -0.000 0.000 0.333 330 Y C 0.099 175.678 175.900 -0.535 0.000 1.076 330 Y CA -0.080 57.376 58.100 -1.075 0.000 1.299 330 Y CB 0.624 38.262 38.460 -1.370 0.000 1.197 330 Y HN 0.168 nan 8.280 nan 0.000 0.517 331 D N 6.109 125.893 120.400 -1.027 0.000 2.428 331 D HA 0.063 4.703 4.640 -0.000 0.000 0.221 331 D C 0.315 176.045 176.300 -0.949 0.000 1.123 331 D CA -0.019 53.554 54.000 -0.711 0.000 0.869 331 D CB 0.774 41.278 40.800 -0.495 0.000 1.032 331 D HN 0.842 nan 8.370 nan 0.000 0.506 332 E N 1.204 121.037 120.200 -0.611 0.000 2.331 332 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 332 E C 1.496 177.964 176.600 -0.221 0.000 1.008 332 E CA 0.811 57.001 56.400 -0.351 0.000 0.843 332 E CB 0.207 29.887 29.700 -0.032 0.000 0.761 332 E HN 0.440 nan 8.360 nan 0.000 0.507 333 S N -0.638 114.930 115.700 -0.221 0.000 2.556 333 S HA 0.015 4.485 4.470 -0.000 0.000 0.216 333 S C 1.604 176.124 174.600 -0.135 0.000 0.970 333 S CA 0.640 58.762 58.200 -0.130 0.000 0.912 333 S CB 0.359 63.502 63.200 -0.096 0.000 0.790 333 S HN 0.252 nan 8.310 nan 0.000 0.504 334 T N -4.550 109.872 114.554 -0.220 0.000 3.028 334 T HA 0.510 4.860 4.350 -0.000 0.000 0.262 334 T C 1.531 176.114 174.700 -0.196 0.000 0.916 334 T CA 0.628 62.625 62.100 -0.172 0.000 0.873 334 T CB -0.008 68.758 68.868 -0.170 0.000 1.232 334 T HN 1.155 nan 8.240 nan 0.000 0.529 335 G N 2.187 110.766 108.800 -0.369 0.000 2.162 335 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 335 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 335 G C 0.142 174.792 174.900 -0.416 0.000 0.976 335 G CA 0.098 45.038 45.100 -0.267 0.000 0.655 335 G HN 0.724 nan 8.290 nan 0.000 0.533 336 R N -1.282 118.819 120.500 -0.665 0.000 2.528 336 R HA 0.475 4.814 4.340 -0.000 0.000 0.271 336 R C -0.656 175.084 176.300 -0.933 0.000 1.056 336 R CA -0.420 55.059 56.100 -1.036 0.000 1.117 336 R CB 0.597 30.476 30.300 -0.700 0.000 1.085 336 R HN 0.205 nan 8.270 nan 0.000 0.530 337 W N 2.821 123.623 121.300 -0.830 0.000 2.296 337 W HA 0.399 5.059 4.660 -0.001 0.000 0.316 337 W C -0.368 176.103 176.519 -0.080 0.000 1.022 337 W CA -0.291 56.928 57.345 -0.210 0.000 1.324 337 W CB 0.592 30.072 29.460 0.033 0.000 1.227 337 W HN 0.276 nan 8.180 nan 0.000 0.409 338 I N 3.720 124.307 120.570 0.028 0.000 2.440 338 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 338 I C 0.640 176.801 176.117 0.073 0.000 0.995 338 I CA -0.503 60.820 61.300 0.038 0.000 1.306 338 I CB 1.220 39.194 38.000 -0.044 0.000 1.407 338 I HN 0.316 nan 8.210 nan 0.000 0.501 339 S N 3.472 119.211 115.700 0.066 0.000 2.600 339 S HA 0.825 5.295 4.470 -0.000 0.000 0.300 339 S C -0.504 174.112 174.600 0.026 0.000 1.087 339 S CA -0.691 57.540 58.200 0.052 0.000 0.965 339 S CB 1.969 65.199 63.200 0.050 0.000 1.089 339 S HN 0.692 nan 8.310 nan 0.000 0.496 340 S N 0.189 115.903 115.700 0.022 0.000 2.549 340 S HA 0.497 4.967 4.470 -0.000 0.000 0.280 340 S C 0.557 175.156 174.600 -0.003 0.000 1.109 340 S CA -0.759 57.446 58.200 0.007 0.000 0.905 340 S CB 1.017 64.223 63.200 0.010 0.000 1.081 340 S HN 0.628 nan 8.310 nan 0.000 0.477 341 V N 1.810 121.714 119.914 -0.016 0.000 2.568 341 V HA -0.152 3.968 4.120 -0.000 0.000 0.253 341 V C 2.828 178.892 176.094 -0.050 0.000 1.072 341 V CA 2.427 64.708 62.300 -0.032 0.000 1.084 341 V CB -1.539 30.266 31.823 -0.030 0.000 0.676 341 V HN 1.014 nan 8.190 nan 0.000 0.469 342 A N -0.119 122.681 122.820 -0.033 0.000 2.014 342 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 342 A C 2.190 179.745 177.584 -0.047 0.000 1.163 342 A CA 1.051 53.065 52.037 -0.039 0.000 0.652 342 A CB -0.313 18.682 19.000 -0.007 0.000 0.808 342 A HN 0.524 nan 8.150 nan 0.000 0.449 343 R N -0.098 120.403 120.500 0.001 0.000 2.426 343 R HA 0.149 4.488 4.340 -0.000 0.000 0.263 343 R C -0.461 175.876 176.300 0.063 0.000 0.961 343 R CA -0.010 56.144 56.100 0.090 0.000 1.086 343 R CB 0.185 30.564 30.300 0.131 0.000 1.186 343 R HN 0.618 nan 8.270 nan 0.000 0.537 344 Q N 0.211 119.940 119.800 -0.118 0.000 2.282 344 Q HA 0.277 4.617 4.340 -0.000 0.000 0.260 344 Q C -1.062 174.746 176.000 -0.320 0.000 0.964 344 Q CA -0.514 55.242 55.803 -0.079 0.000 0.880 344 Q CB 1.883 30.596 28.738 -0.041 0.000 1.286 344 Q HN 0.197 nan 8.270 nan 0.000 0.445 345 H N 1.163 120.246 119.070 0.022 0.000 2.800 345 H HA 0.401 4.957 4.556 -0.000 0.000 0.322 345 H C -0.716 174.585 175.328 -0.045 0.000 0.979 345 H CA -0.368 55.689 56.048 0.015 0.000 1.277 345 H CB 0.870 30.642 29.762 0.017 0.000 1.484 345 H HN 0.439 nan 8.280 nan 0.000 0.512 346 I N 2.029 122.604 120.570 0.009 0.000 2.472 346 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 346 I C 0.223 176.272 176.117 -0.113 0.000 1.016 346 I CA -0.177 61.043 61.300 -0.133 0.000 1.348 346 I CB 1.253 39.140 38.000 -0.189 0.000 1.417 346 I HN 0.597 nan 8.210 nan 0.000 0.521 347 E N 7.268 127.340 120.200 -0.214 0.000 2.281 347 E HA 0.534 4.884 4.350 -0.000 0.000 0.266 347 E C -1.443 175.046 176.600 -0.186 0.000 0.893 347 E CA -0.573 55.755 56.400 -0.120 0.000 0.798 347 E CB 1.845 31.517 29.700 -0.047 0.000 1.245 347 E HN 0.635 nan 8.360 nan 0.000 0.410 348 I N 0.340 120.836 120.570 -0.124 0.000 3.108 348 I HA 0.749 4.919 4.170 -0.000 0.000 0.312 348 I C -1.029 175.071 176.117 -0.029 0.000 1.095 348 I CA -0.779 60.472 61.300 -0.082 0.000 1.000 348 I CB 2.395 40.365 38.000 -0.050 0.000 1.229 348 I HN 0.341 nan 8.210 nan 0.000 0.454 349 S N 0.522 116.213 115.700 -0.016 0.000 2.557 349 S HA 0.494 4.963 4.470 -0.000 0.000 0.291 349 S C 0.267 174.845 174.600 -0.037 0.000 1.116 349 S CA 0.030 58.206 58.200 -0.040 0.000 0.992 349 S CB 1.428 64.571 63.200 -0.095 0.000 1.028 349 S HN 0.878 nan 8.310 nan 0.000 0.484 350 T N -0.100 114.432 114.554 -0.037 0.000 3.014 350 T HA 0.072 4.421 4.350 -0.000 0.000 0.250 350 T C 1.418 176.087 174.700 -0.051 0.000 1.060 350 T CA 0.812 62.895 62.100 -0.029 0.000 1.040 350 T CB -0.258 68.602 68.868 -0.014 0.000 0.971 350 T HN 0.673 nan 8.240 nan 0.000 0.497 351 T N -2.014 112.494 114.554 -0.077 0.000 3.054 351 T HA 0.652 5.001 4.350 -0.000 0.000 0.255 351 T C 1.056 175.587 174.700 -0.282 0.000 1.035 351 T CA 0.326 62.372 62.100 -0.089 0.000 0.941 351 T CB 0.501 69.376 68.868 0.012 0.000 1.026 351 T HN 0.610 nan 8.240 nan 0.000 0.533 352 G N 0.795 109.326 108.800 -0.448 0.000 2.623 352 G HA2 0.429 4.389 3.960 -0.000 0.000 0.085 352 G HA3 0.429 4.389 3.960 -0.000 0.000 0.085 352 G C -1.781 172.905 174.900 -0.358 0.000 1.116 352 G CA -0.391 44.309 45.100 -0.668 0.000 1.200 352 G HN 0.538 nan 8.290 nan 0.000 0.556 353 W N 0.227 121.250 121.300 -0.461 0.000 2.655 353 W HA 0.820 5.480 4.660 -0.000 0.000 0.358 353 W C -0.421 176.044 176.519 -0.090 0.000 1.100 353 W CA -1.435 55.776 57.345 -0.223 0.000 1.195 353 W CB 1.181 30.487 29.460 -0.258 0.000 1.403 353 W HN 0.307 nan 8.180 nan 0.000 0.589 354 V N 3.543 123.530 119.914 0.122 0.000 2.583 354 V HA 0.612 4.732 4.120 -0.000 0.000 0.287 354 V C 0.996 177.181 176.094 0.152 0.000 1.051 354 V CA 0.858 63.200 62.300 0.070 0.000 1.010 354 V CB 0.077 31.942 31.823 0.071 0.000 0.988 354 V HN 1.304 nan 8.190 nan 0.000 0.478 355 G N 5.373 114.220 108.800 0.077 0.000 2.697 355 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.240 355 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.240 355 G C 0.455 175.454 174.900 0.165 0.000 1.346 355 G CA 0.550 45.715 45.100 0.108 0.000 0.887 355 G HN 0.654 nan 8.290 nan 0.000 0.569 356 R N -1.614 118.976 120.500 0.150 0.000 2.046 356 R HA 0.300 4.640 4.340 -0.000 0.000 0.223 356 R C 2.307 178.614 176.300 0.011 0.000 1.179 356 R CA 1.782 57.926 56.100 0.072 0.000 0.952 356 R CB -0.140 30.160 30.300 0.001 0.000 0.843 356 R HN 0.407 nan 8.270 nan 0.000 0.439 357 F N -0.102 119.978 119.950 0.216 0.000 2.727 357 F HA 0.267 4.794 4.527 -0.000 0.000 0.302 357 F C 0.493 176.349 175.800 0.093 0.000 1.107 357 F CA -0.204 57.888 58.000 0.152 0.000 1.277 357 F CB 0.678 39.778 39.000 0.167 0.000 1.079 357 F HN -0.048 nan 8.300 nan 0.000 0.594 358 R N -0.612 120.053 120.500 0.276 0.000 2.712 358 R HA 0.368 4.708 4.340 -0.000 0.000 0.272 358 R C -3.300 173.094 176.300 0.156 0.000 1.032 358 R CA -1.804 54.403 56.100 0.179 0.000 0.874 358 R CB 0.507 30.897 30.300 0.149 0.000 1.256 358 R HN -0.342 nan 8.270 nan 0.000 0.468 359 P HA 0.056 nan 4.420 nan 0.000 0.269 359 P C -0.304 177.037 177.300 0.068 0.000 1.209 359 P CA -0.017 63.131 63.100 0.080 0.000 0.776 359 P CB 0.694 32.422 31.700 0.047 0.000 0.876 360 A N 3.045 125.907 122.820 0.070 0.000 2.425 360 A HA 0.142 4.462 4.320 -0.000 0.000 0.242 360 A C 0.596 178.197 177.584 0.028 0.000 1.077 360 A CA -0.241 51.845 52.037 0.082 0.000 0.781 360 A CB -0.152 18.914 19.000 0.109 0.000 1.020 360 A HN 0.511 nan 8.150 nan 0.000 0.494 361 E N 1.860 122.080 120.200 0.034 0.000 2.331 361 E HA 0.327 4.677 4.350 -0.000 0.000 0.272 361 E C -2.341 174.201 176.600 -0.097 0.000 1.036 361 E CA -1.599 54.757 56.400 -0.075 0.000 0.864 361 E CB 0.636 30.271 29.700 -0.110 0.000 1.035 361 E HN 0.481 nan 8.360 nan 0.000 0.408 362 P HA 0.187 nan 4.420 nan 0.000 0.282 362 P C -0.660 176.454 177.300 -0.309 0.000 1.249 362 P CA -0.195 62.717 63.100 -0.314 0.000 0.806 362 P CB 0.987 32.173 31.700 -0.856 0.000 0.984 363 H N 2.172 121.212 119.070 -0.049 0.000 2.762 363 H HA 0.290 4.846 4.556 -0.000 0.000 0.310 363 H C -0.196 175.211 175.328 0.132 0.000 1.004 363 H CA -0.300 55.814 56.048 0.111 0.000 1.267 363 H CB 0.271 30.123 29.762 0.151 0.000 1.437 363 H HN 0.298 nan 8.280 nan 0.000 0.498 364 F N 1.548 121.635 119.950 0.229 0.000 2.380 364 F HA 0.104 4.631 4.527 -0.000 0.000 0.325 364 F C 1.610 177.570 175.800 0.267 0.000 1.136 364 F CA -0.482 57.675 58.000 0.260 0.000 1.171 364 F CB 0.884 39.971 39.000 0.146 0.000 1.230 364 F HN 0.333 nan 8.300 nan 0.000 0.554 365 T N -1.923 112.907 114.554 0.460 0.000 2.849 365 T HA 0.146 4.496 4.350 -0.000 0.000 0.284 365 T C 1.151 176.026 174.700 0.291 0.000 1.004 365 T CA -0.620 61.682 62.100 0.337 0.000 1.021 365 T CB 1.132 70.183 68.868 0.304 0.000 1.013 365 T HN 0.510 nan 8.240 nan 0.000 0.527 366 S N 1.225 117.055 115.700 0.218 0.000 2.374 366 S HA -0.168 4.302 4.470 -0.000 0.000 0.227 366 S C 1.903 176.607 174.600 0.174 0.000 1.037 366 S CA 1.681 59.989 58.200 0.181 0.000 1.024 366 S CB -0.600 62.686 63.200 0.143 0.000 0.861 366 S HN 0.948 nan 8.310 nan 0.000 0.456 367 D N 0.236 120.740 120.400 0.172 0.000 2.219 367 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 367 D C 1.461 177.869 176.300 0.179 0.000 0.970 367 D CA 1.014 55.108 54.000 0.157 0.000 0.851 367 D CB -0.639 40.247 40.800 0.142 0.000 0.943 367 D HN 0.525 nan 8.370 nan 0.000 0.488 368 G N 1.139 110.084 108.800 0.242 0.000 2.143 368 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.249 368 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.249 368 G C 0.618 175.714 174.900 0.326 0.000 0.981 368 G CA 0.392 45.667 45.100 0.292 0.000 0.665 368 G HN 0.471 nan 8.290 nan 0.000 0.528 369 N N -0.100 118.761 118.700 0.269 0.000 2.412 369 N HA 0.305 5.045 4.740 -0.000 0.000 0.184 369 N C 0.806 176.454 175.510 0.229 0.000 1.101 369 N CA 0.694 53.878 53.050 0.224 0.000 0.881 369 N CB 0.249 38.829 38.487 0.155 0.000 0.969 369 N HN 0.703 nan 8.380 nan 0.000 0.459 370 S N -0.259 115.609 115.700 0.280 0.000 2.588 370 S HA 0.651 5.121 4.470 -0.000 0.000 0.269 370 S C -1.275 173.436 174.600 0.185 0.000 1.157 370 S CA -1.107 57.189 58.200 0.159 0.000 0.824 370 S CB 1.228 64.501 63.200 0.122 0.000 1.126 370 S HN 0.163 nan 8.310 nan 0.000 0.464 371 F N -1.417 118.408 119.950 -0.208 0.000 2.662 371 F HA 0.863 5.390 4.527 -0.000 0.000 0.312 371 F C -2.175 173.426 175.800 -0.332 0.000 1.113 371 F CA -1.475 56.297 58.000 -0.379 0.000 0.951 371 F CB 0.727 39.045 39.000 -1.136 0.000 1.344 371 F HN 0.594 nan 8.300 nan 0.000 0.462 372 Y N 1.239 121.628 120.300 0.148 0.000 2.393 372 Y HA 0.665 5.215 4.550 -0.000 0.000 0.341 372 Y C -0.342 175.691 175.900 0.221 0.000 0.988 372 Y CA -0.952 57.217 58.100 0.115 0.000 1.078 372 Y CB 2.154 40.614 38.460 -0.001 0.000 1.203 372 Y HN 0.764 nan 8.280 nan 0.000 0.453 373 K N 3.279 123.884 120.400 0.341 0.000 2.543 373 K HA 0.535 4.855 4.320 -0.000 0.000 0.255 373 K C -1.730 175.007 176.600 0.228 0.000 0.934 373 K CA -0.552 55.901 56.287 0.276 0.000 0.810 373 K CB 1.589 34.199 32.500 0.184 0.000 1.315 373 K HN 0.741 nan 8.250 nan 0.000 0.433 374 I N 6.201 126.874 120.570 0.171 0.000 2.471 374 I HA 0.235 4.404 4.170 -0.000 0.000 0.286 374 I C 0.303 176.507 176.117 0.145 0.000 1.079 374 I CA -0.214 61.168 61.300 0.137 0.000 1.398 374 I CB 0.229 38.288 38.000 0.099 0.000 1.403 374 I HN 0.543 nan 8.210 nan 0.000 0.530 375 I N 1.395 122.075 120.570 0.183 0.000 3.195 375 I HA 0.481 4.650 4.170 -0.000 0.000 0.313 375 I C -0.545 175.688 176.117 0.192 0.000 1.237 375 I CA -0.874 60.533 61.300 0.177 0.000 0.963 375 I CB 2.147 40.277 38.000 0.216 0.000 1.278 375 I HN 0.218 nan 8.210 nan 0.000 0.460 376 S N 2.839 118.605 115.700 0.110 0.000 2.528 376 S HA 0.248 4.718 4.470 -0.000 0.000 0.277 376 S C -0.080 174.575 174.600 0.093 0.000 1.297 376 S CA -0.601 57.614 58.200 0.025 0.000 1.052 376 S CB 0.176 63.336 63.200 -0.066 0.000 0.917 376 S HN 0.771 nan 8.310 nan 0.000 0.492 377 N N 2.481 121.122 118.700 -0.098 0.000 2.431 377 N HA 0.170 4.909 4.740 -0.000 0.000 0.289 377 N C 0.636 176.048 175.510 -0.163 0.000 1.277 377 N CA -0.547 52.291 53.050 -0.354 0.000 0.972 377 N CB -0.050 37.844 38.487 -0.988 0.000 1.143 377 N HN 0.354 nan 8.380 nan 0.000 0.578 378 E N -0.360 119.731 120.200 -0.182 0.000 2.130 378 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 378 E C 0.908 177.463 176.600 -0.074 0.000 0.998 378 E CA 1.753 58.097 56.400 -0.093 0.000 0.806 378 E CB -0.341 29.304 29.700 -0.092 0.000 0.738 378 E HN 0.748 nan 8.360 nan 0.000 0.459 379 E N -0.712 119.448 120.200 -0.067 0.000 2.489 379 E HA 0.158 4.508 4.350 -0.000 0.000 0.193 379 E C 0.833 177.452 176.600 0.033 0.000 1.057 379 E CA 0.326 56.743 56.400 0.028 0.000 0.866 379 E CB 0.308 30.061 29.700 0.089 0.000 0.916 379 E HN 0.359 nan 8.360 nan 0.000 0.500 380 G N 0.817 109.569 108.800 -0.079 0.000 2.157 380 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.239 380 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.239 380 G C -0.326 174.330 174.900 -0.407 0.000 0.982 380 G CA -0.188 44.762 45.100 -0.250 0.000 0.650 380 G HN 0.213 nan 8.290 nan 0.000 0.527 381 Y N 0.687 120.855 120.300 -0.220 0.000 2.334 381 Y HA 0.579 5.128 4.550 -0.000 0.000 0.328 381 Y C 0.951 176.648 175.900 -0.337 0.000 1.130 381 Y CA -0.696 57.237 58.100 -0.279 0.000 1.163 381 Y CB 1.121 39.417 38.460 -0.272 0.000 1.207 381 Y HN -0.020 nan 8.280 nan 0.000 0.471 382 K N 4.115 124.338 120.400 -0.296 0.000 2.285 382 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 382 K C -0.796 175.489 176.600 -0.526 0.000 1.072 382 K CA -0.306 55.823 56.287 -0.264 0.000 0.913 382 K CB 0.363 32.771 32.500 -0.154 0.000 1.067 382 K HN 0.641 nan 8.250 nan 0.000 0.479 383 H N 1.332 120.364 119.070 -0.064 0.000 2.908 383 H HA 0.367 4.923 4.556 -0.000 0.000 0.350 383 H C -0.165 175.214 175.328 0.084 0.000 1.217 383 H CA -0.940 55.047 56.048 -0.102 0.000 1.168 383 H CB 1.392 31.002 29.762 -0.253 0.000 1.891 383 H HN 0.336 nan 8.280 nan 0.000 0.566 384 I N 1.310 121.954 120.570 0.122 0.000 2.396 384 I HA 0.047 4.217 4.170 -0.000 0.000 0.289 384 I C 0.329 176.462 176.117 0.026 0.000 1.056 384 I CA 0.093 61.424 61.300 0.051 0.000 1.365 384 I CB 0.349 38.290 38.000 -0.099 0.000 1.407 384 I HN 0.130 nan 8.210 nan 0.000 0.509 385 c N 6.584 125.133 118.600 -0.084 0.000 2.382 385 c HA 0.318 4.887 4.570 -0.000 0.000 0.327 385 c C 0.077 173.972 174.090 -0.326 0.000 1.250 385 c CA -0.435 55.604 56.329 -0.484 0.000 1.707 385 c CB 0.634 42.560 42.510 -0.974 0.000 2.272 385 c HN 0.759 nan 8.230 nan 0.000 0.506 386 H N 3.920 122.629 119.070 -0.601 0.000 2.652 386 H HA 0.478 5.034 4.556 -0.000 0.000 0.298 386 H C -1.151 173.686 175.328 -0.818 0.000 1.076 386 H CA -0.316 55.315 56.048 -0.694 0.000 1.360 386 H CB 0.413 29.880 29.762 -0.493 0.000 1.421 386 H HN 0.579 nan 8.280 nan 0.000 0.464 387 F N 2.517 121.943 119.950 -0.873 0.000 2.470 387 F HA 0.188 4.715 4.527 -0.000 0.000 0.329 387 F C 0.104 175.359 175.800 -0.907 0.000 1.072 387 F CA -0.852 56.515 58.000 -1.054 0.000 0.989 387 F CB 1.825 39.728 39.000 -1.828 0.000 1.193 387 F HN 0.512 nan 8.300 nan 0.000 0.481 388 Q N 0.535 120.118 119.800 -0.362 0.000 2.290 388 Q HA 0.311 4.651 4.340 -0.000 0.000 0.259 388 Q C 0.774 176.814 176.000 0.067 0.000 0.941 388 Q CA -0.066 55.633 55.803 -0.175 0.000 0.912 388 Q CB 1.757 30.412 28.738 -0.138 0.000 1.244 388 Q HN 0.763 nan 8.270 nan 0.000 0.441 389 T N 1.994 116.658 114.554 0.184 0.000 2.721 389 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 389 T C 0.195 175.136 174.700 0.403 0.000 1.038 389 T CA 2.015 64.357 62.100 0.403 0.000 1.145 389 T CB -0.128 68.973 68.868 0.388 0.000 0.858 389 T HN 0.780 nan 8.240 nan 0.000 0.459 390 D N -0.061 120.472 120.400 0.222 0.000 2.463 390 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 390 D C 0.015 176.357 176.300 0.070 0.000 1.174 390 D CA -0.362 53.719 54.000 0.135 0.000 0.829 390 D CB 0.261 41.114 40.800 0.087 0.000 0.993 390 D HN 0.081 nan 8.370 nan 0.000 0.497 391 K N -0.167 120.294 120.400 0.103 0.000 2.426 391 K HA 0.349 4.669 4.320 -0.000 0.000 0.251 391 K C 0.518 177.154 176.600 0.059 0.000 0.941 391 K CA -0.603 55.703 56.287 0.031 0.000 0.808 391 K CB 1.816 34.308 32.500 -0.013 0.000 1.265 391 K HN 0.000 nan 8.250 nan 0.000 0.432 392 S N -0.258 115.436 115.700 -0.010 0.000 2.501 392 S HA -0.081 4.389 4.470 -0.000 0.000 0.220 392 S C 0.479 175.098 174.600 0.031 0.000 0.997 392 S CA -0.024 58.185 58.200 0.015 0.000 0.919 392 S CB -0.601 62.575 63.200 -0.039 0.000 0.778 392 S HN 0.711 nan 8.310 nan 0.000 0.523 393 N N 1.405 120.069 118.700 -0.059 0.000 2.499 393 N HA 0.482 5.222 4.740 -0.000 0.000 0.281 393 N C -0.131 175.177 175.510 -0.336 0.000 1.098 393 N CA -0.587 52.368 53.050 -0.158 0.000 0.979 393 N CB 1.027 39.432 38.487 -0.138 0.000 1.121 393 N HN 0.468 nan 8.380 nan 0.000 0.466 394 c N -0.261 118.012 118.600 -0.546 0.000 2.771 394 c HA 0.810 5.380 4.570 -0.000 0.000 0.333 394 c C -0.396 173.302 174.090 -0.653 0.000 1.267 394 c CA -0.662 55.129 56.329 -0.898 0.000 1.721 394 c CB 1.157 42.520 42.510 -1.912 0.000 2.222 394 c HN 0.728 nan 8.230 nan 0.000 0.485 395 T N 1.909 116.100 114.554 -0.606 0.000 2.840 395 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 395 T C -0.782 173.699 174.700 -0.364 0.000 0.991 395 T CA 0.125 62.019 62.100 -0.343 0.000 0.964 395 T CB 0.411 69.210 68.868 -0.116 0.000 0.954 395 T HN 0.493 nan 8.240 nan 0.000 0.438 396 F N 3.299 123.129 119.950 -0.200 0.000 2.529 396 F HA 0.243 4.770 4.527 -0.000 0.000 0.365 396 F C 1.640 177.278 175.800 -0.270 0.000 1.102 396 F CA -0.717 57.151 58.000 -0.220 0.000 1.271 396 F CB 0.449 39.328 39.000 -0.203 0.000 1.120 396 F HN 0.581 nan 8.300 nan 0.000 0.579 397 I N -0.619 119.825 120.570 -0.210 0.000 4.082 397 I HA 0.276 4.446 4.170 -0.000 0.000 0.337 397 I C -0.046 175.910 176.117 -0.268 0.000 1.352 397 I CA 0.045 61.017 61.300 -0.548 0.000 1.097 397 I CB 0.104 37.452 38.000 -1.086 0.000 1.048 397 I HN 0.485 nan 8.210 nan 0.000 0.393 398 T N -0.016 114.426 114.554 -0.186 0.000 2.900 398 T HA 0.711 5.060 4.350 -0.000 0.000 0.303 398 T C -0.828 173.462 174.700 -0.683 0.000 1.142 398 T CA -0.670 61.282 62.100 -0.246 0.000 1.007 398 T CB 2.815 71.591 68.868 -0.154 0.000 1.156 398 T HN 0.311 nan 8.240 nan 0.000 0.490 399 K N 0.215 120.050 120.400 -0.943 0.000 2.579 399 K HA 0.872 5.192 4.320 -0.000 0.000 0.284 399 K C -0.283 175.673 176.600 -1.073 0.000 0.990 399 K CA -0.414 55.024 56.287 -1.415 0.000 0.880 399 K CB 1.343 33.430 32.500 -0.688 0.000 1.488 399 K HN 1.869 nan 8.250 nan 0.000 0.425 400 G N -0.918 107.337 108.800 -0.908 0.000 2.351 400 G HA2 0.405 4.365 3.960 -0.000 0.000 0.353 400 G HA3 0.405 4.365 3.960 -0.000 0.000 0.353 400 G C -1.328 173.089 174.900 -0.805 0.000 1.358 400 G CA -0.237 44.496 45.100 -0.612 0.000 0.995 400 G HN 0.990 nan 8.290 nan 0.000 0.611 401 A N 0.881 123.362 122.820 -0.565 0.000 3.202 401 A HA 0.649 4.969 4.320 -0.000 0.000 0.258 401 A C 0.238 177.730 177.584 -0.154 0.000 1.572 401 A CA 0.556 52.058 52.037 -0.891 0.000 1.241 401 A CB -1.105 17.637 19.000 -0.430 0.000 1.127 401 A HN 1.708 nan 8.150 nan 0.000 0.648 402 W N -0.948 120.289 121.300 -0.105 0.000 2.923 402 W HA 0.659 5.319 4.660 -0.000 0.000 0.373 402 W C -1.132 175.428 176.519 0.069 0.000 1.205 402 W CA -0.775 56.624 57.345 0.090 0.000 1.180 402 W CB 0.338 29.821 29.460 0.037 0.000 1.477 402 W HN 0.224 nan 8.180 nan 0.000 0.581 403 E N 0.628 121.028 120.200 0.332 0.000 2.343 403 E HA 0.474 4.824 4.350 -0.000 0.000 0.270 403 E C -1.286 175.432 176.600 0.197 0.000 0.895 403 E CA -1.173 55.219 56.400 -0.012 0.000 0.767 403 E CB 3.335 33.056 29.700 0.035 0.000 1.248 403 E HN 0.148 nan 8.360 nan 0.000 0.440 404 V N 3.425 123.328 119.914 -0.018 0.000 2.461 404 V HA 0.041 4.161 4.120 -0.000 0.000 0.275 404 V C 1.164 177.349 176.094 0.152 0.000 1.047 404 V CA -0.166 62.211 62.300 0.128 0.000 0.955 404 V CB 0.745 32.532 31.823 -0.060 0.000 0.988 404 V HN 0.677 nan 8.190 nan 0.000 0.471 405 I N 3.142 123.839 120.570 0.213 0.000 2.333 405 I HA 0.239 4.409 4.170 -0.000 0.000 0.246 405 I C 1.117 177.355 176.117 0.202 0.000 1.106 405 I CA 1.217 62.644 61.300 0.212 0.000 1.411 405 I CB -0.880 37.202 38.000 0.137 0.000 1.082 405 I HN 0.760 nan 8.210 nan 0.000 0.420 406 G N 0.591 109.506 108.800 0.193 0.000 2.519 406 G HA2 0.477 4.437 3.960 -0.000 0.000 0.292 406 G HA3 0.477 4.437 3.960 -0.000 0.000 0.292 406 G C -1.244 173.737 174.900 0.135 0.000 1.507 406 G CA -0.658 44.542 45.100 0.167 0.000 0.806 406 G HN -0.033 nan 8.290 nan 0.000 0.523 407 I N 1.639 122.209 120.570 0.000 0.000 2.352 407 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 407 I C 0.909 176.934 176.117 -0.154 0.000 1.036 407 I CA -0.505 60.688 61.300 -0.178 0.000 1.336 407 I CB 1.692 39.307 38.000 -0.642 0.000 1.407 407 I HN 0.518 nan 8.210 nan 0.000 0.497 408 E N 4.719 124.893 120.200 -0.044 0.000 2.166 408 E HA 0.237 4.587 4.350 -0.000 0.000 0.192 408 E C 0.266 176.772 176.600 -0.157 0.000 0.967 408 E CA 0.389 56.780 56.400 -0.014 0.000 0.840 408 E CB 0.688 30.431 29.700 0.072 0.000 0.795 408 E HN 0.739 nan 8.360 nan 0.000 0.470 409 A N 0.299 122.938 122.820 -0.302 0.000 2.609 409 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 409 A C -1.907 175.604 177.584 -0.121 0.000 1.096 409 A CA -0.599 51.232 52.037 -0.343 0.000 0.684 409 A CB 1.488 19.871 19.000 -1.028 0.000 1.282 409 A HN 0.044 nan 8.150 nan 0.000 0.412 410 L N 0.986 122.186 121.223 -0.038 0.000 2.580 410 L HA 0.706 5.046 4.340 -0.000 0.000 0.266 410 L C -0.003 176.903 176.870 0.059 0.000 0.955 410 L CA 0.482 55.328 54.840 0.009 0.000 0.886 410 L CB 1.922 43.997 42.059 0.027 0.000 1.263 410 L HN 1.219 nan 8.230 nan 0.000 0.406 411 T N -0.244 114.360 114.554 0.082 0.000 2.905 411 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 411 T C 1.019 175.749 174.700 0.051 0.000 1.031 411 T CA 0.056 62.214 62.100 0.097 0.000 1.002 411 T CB 1.270 70.237 68.868 0.165 0.000 1.200 411 T HN 0.666 nan 8.240 nan 0.000 0.560 412 S N -0.658 115.069 115.700 0.046 0.000 2.515 412 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 412 S C 0.748 175.309 174.600 -0.066 0.000 0.987 412 S CA 0.653 58.864 58.200 0.018 0.000 0.936 412 S CB -0.417 62.803 63.200 0.033 0.000 0.766 412 S HN 0.707 nan 8.310 nan 0.000 0.528 413 D N -0.537 119.781 120.400 -0.137 0.000 2.431 413 D HA 0.251 4.891 4.640 -0.000 0.000 0.227 413 D C -0.276 175.631 176.300 -0.655 0.000 1.030 413 D CA 0.611 54.353 54.000 -0.429 0.000 0.897 413 D CB 0.282 40.724 40.800 -0.596 0.000 1.058 413 D HN 0.448 nan 8.370 nan 0.000 0.500 414 Y N -0.269 119.976 120.300 -0.091 0.000 2.634 414 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 414 Y C -0.561 175.168 175.900 -0.286 0.000 1.058 414 Y CA -1.154 56.809 58.100 -0.228 0.000 1.081 414 Y CB 2.294 40.521 38.460 -0.389 0.000 1.295 414 Y HN -0.303 nan 8.280 nan 0.000 0.487 415 L N 1.564 122.654 121.223 -0.221 0.000 2.406 415 L HA 0.584 4.924 4.340 -0.000 0.000 0.272 415 L C -2.008 174.692 176.870 -0.284 0.000 0.980 415 L CA -0.569 54.128 54.840 -0.238 0.000 0.831 415 L CB 1.084 42.941 42.059 -0.337 0.000 1.253 415 L HN 0.598 nan 8.230 nan 0.000 0.406 416 Y N 4.668 124.850 120.300 -0.197 0.000 2.342 416 Y HA 0.601 5.151 4.550 -0.000 0.000 0.334 416 Y C -0.302 175.544 175.900 -0.089 0.000 1.067 416 Y CA -0.395 57.561 58.100 -0.240 0.000 1.128 416 Y CB 1.321 39.457 38.460 -0.540 0.000 1.200 416 Y HN 0.540 nan 8.280 nan 0.000 0.464 417 Y N -0.446 119.881 120.300 0.044 0.000 2.705 417 Y HA 0.824 5.373 4.550 -0.000 0.000 0.332 417 Y C -1.875 174.102 175.900 0.127 0.000 1.221 417 Y CA -2.068 56.060 58.100 0.048 0.000 1.059 417 Y CB 1.200 39.670 38.460 0.015 0.000 1.298 417 Y HN 0.404 nan 8.280 nan 0.000 0.459 418 I N 2.651 123.413 120.570 0.320 0.000 2.465 418 I HA 0.641 4.811 4.170 -0.000 0.000 0.291 418 I C -0.599 175.723 176.117 0.341 0.000 1.014 418 I CA -0.579 60.860 61.300 0.233 0.000 1.093 418 I CB 2.144 40.232 38.000 0.146 0.000 1.267 418 I HN 0.878 nan 8.210 nan 0.000 0.431 419 S N 3.163 119.028 115.700 0.274 0.000 2.685 419 S HA 0.456 4.926 4.470 -0.000 0.000 0.282 419 S C -0.547 174.127 174.600 0.123 0.000 1.159 419 S CA -0.836 57.510 58.200 0.244 0.000 0.833 419 S CB 1.818 65.186 63.200 0.279 0.000 1.151 419 S HN 0.649 nan 8.310 nan 0.000 0.485 420 N N -0.477 118.301 118.700 0.131 0.000 2.389 420 N HA 0.132 4.872 4.740 -0.000 0.000 0.260 420 N C 0.516 176.039 175.510 0.022 0.000 1.191 420 N CA -0.209 52.877 53.050 0.060 0.000 0.885 420 N CB 0.231 38.745 38.487 0.044 0.000 1.162 420 N HN 0.857 nan 8.380 nan 0.000 0.512 421 E N 0.299 120.379 120.200 -0.200 0.000 2.072 421 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 421 E C -0.079 176.383 176.600 -0.231 0.000 0.985 421 E CA 0.392 56.437 56.400 -0.591 0.000 0.801 421 E CB -0.194 28.460 29.700 -1.744 0.000 0.750 421 E HN 0.483 nan 8.360 nan 0.000 0.452 422 H N 0.909 119.904 119.070 -0.125 0.000 3.094 422 H HA -0.037 4.519 4.556 -0.000 0.000 0.320 422 H C 0.145 175.453 175.328 -0.034 0.000 1.000 422 H CA 1.136 57.159 56.048 -0.042 0.000 1.413 422 H CB 0.357 30.122 29.762 0.006 0.000 1.405 422 H HN 0.088 nan 8.280 nan 0.000 0.586 423 K N 2.935 123.073 120.400 -0.437 0.000 3.185 423 K HA -0.211 4.109 4.320 -0.000 0.000 0.298 423 K C 0.991 177.556 176.600 -0.057 0.000 1.178 423 K CA 1.331 57.453 56.287 -0.276 0.000 0.882 423 K CB -1.532 30.794 32.500 -0.290 0.000 1.218 423 K HN 1.104 nan 8.250 nan 0.000 0.454 424 G N -0.269 108.511 108.800 -0.033 0.000 2.225 424 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 424 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 424 G C 0.021 174.971 174.900 0.083 0.000 1.024 424 G CA 0.629 45.771 45.100 0.070 0.000 0.784 424 G HN 0.298 nan 8.290 nan 0.000 0.507 425 M N 1.072 120.636 119.600 -0.061 0.000 2.151 425 M HA 0.193 4.673 4.480 -0.000 0.000 0.349 425 M C -0.710 175.407 176.300 -0.304 0.000 1.284 425 M CA -1.871 53.230 55.300 -0.331 0.000 1.173 425 M CB 1.308 33.725 32.600 -0.305 0.000 1.469 425 M HN -0.035 nan 8.290 nan 0.000 0.439 426 P HA -0.102 nan 4.420 nan 0.000 0.222 426 P C 0.952 178.146 177.300 -0.178 0.000 1.147 426 P CA 1.220 64.222 63.100 -0.163 0.000 0.790 426 P CB 0.108 31.755 31.700 -0.088 0.000 0.780 427 G N -0.556 108.056 108.800 -0.314 0.000 3.314 427 G HA2 0.344 4.303 3.960 -0.000 0.000 0.238 427 G HA3 0.344 4.303 3.960 -0.000 0.000 0.238 427 G C 0.565 175.472 174.900 0.012 0.000 1.184 427 G CA 0.024 45.048 45.100 -0.128 0.000 0.806 427 G HN 0.430 nan 8.290 nan 0.000 0.536 428 G N -0.144 108.621 108.800 -0.058 0.000 2.453 428 G HA2 0.663 4.623 3.960 -0.000 0.000 0.323 428 G HA3 0.663 4.623 3.960 -0.000 0.000 0.323 428 G C -0.873 173.954 174.900 -0.122 0.000 1.198 428 G CA -0.785 44.318 45.100 0.006 0.000 0.959 428 G HN 0.086 nan 8.290 nan 0.000 0.482 429 R N 1.060 121.443 120.500 -0.195 0.000 2.628 429 R HA 0.511 4.851 4.340 -0.000 0.000 0.288 429 R C -1.193 175.111 176.300 0.005 0.000 0.980 429 R CA -0.867 55.099 56.100 -0.223 0.000 0.891 429 R CB 2.276 32.209 30.300 -0.612 0.000 1.188 429 R HN 0.598 nan 8.270 nan 0.000 0.450 430 N N 1.240 119.964 118.700 0.040 0.000 2.396 430 N HA 0.291 5.031 4.740 -0.000 0.000 0.275 430 N C -1.461 173.982 175.510 -0.111 0.000 1.218 430 N CA -0.784 52.218 53.050 -0.080 0.000 0.812 430 N CB 2.605 40.962 38.487 -0.218 0.000 1.592 430 N HN 0.252 nan 8.380 nan 0.000 0.480 431 L N 2.174 123.182 121.223 -0.357 0.000 2.276 431 L HA 0.480 4.820 4.340 -0.000 0.000 0.286 431 L C -1.396 175.167 176.870 -0.512 0.000 1.061 431 L CA 0.029 54.688 54.840 -0.303 0.000 0.807 431 L CB -0.191 41.683 42.059 -0.307 0.000 1.177 431 L HN 0.405 nan 8.230 nan 0.000 0.429 432 Y N 4.252 124.215 120.300 -0.562 0.000 2.562 432 Y HA 0.677 5.227 4.550 -0.000 0.000 0.343 432 Y C -0.121 175.399 175.900 -0.634 0.000 1.025 432 Y CA -0.774 56.919 58.100 -0.678 0.000 1.082 432 Y CB 1.660 39.495 38.460 -1.041 0.000 1.264 432 Y HN 0.513 nan 8.280 nan 0.000 0.478 433 R N 2.769 123.081 120.500 -0.314 0.000 2.575 433 R HA 0.670 5.010 4.340 -0.000 0.000 0.293 433 R C -2.009 174.195 176.300 -0.159 0.000 0.983 433 R CA -0.649 55.192 56.100 -0.432 0.000 0.887 433 R CB 1.567 31.486 30.300 -0.635 0.000 1.184 433 R HN 0.884 nan 8.270 nan 0.000 0.445 434 I N 3.035 123.567 120.570 -0.064 0.000 2.465 434 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 434 I C -0.618 175.565 176.117 0.111 0.000 1.014 434 I CA -0.734 60.623 61.300 0.094 0.000 1.093 434 I CB 2.080 40.186 38.000 0.178 0.000 1.267 434 I HN 0.668 nan 8.210 nan 0.000 0.431 435 Q N 5.031 124.926 119.800 0.158 0.000 2.297 435 Q HA 0.100 4.440 4.340 -0.000 0.000 0.267 435 Q C 0.461 176.491 176.000 0.050 0.000 1.006 435 Q CA -0.414 55.422 55.803 0.055 0.000 0.896 435 Q CB 1.343 30.105 28.738 0.040 0.000 1.186 435 Q HN 0.650 nan 8.270 nan 0.000 0.392 436 L N 3.317 124.507 121.223 -0.055 0.000 2.275 436 L HA -0.181 4.158 4.340 -0.000 0.000 0.215 436 L C 1.498 178.360 176.870 -0.013 0.000 1.119 436 L CA 1.527 56.399 54.840 0.054 0.000 0.790 436 L CB -0.658 41.378 42.059 -0.038 0.000 0.919 436 L HN 0.671 nan 8.230 nan 0.000 0.443 437 N N -1.948 116.685 118.700 -0.113 0.000 2.270 437 N HA 0.026 4.766 4.740 -0.000 0.000 0.198 437 N C -0.449 174.933 175.510 -0.213 0.000 1.117 437 N CA 0.140 53.094 53.050 -0.161 0.000 0.845 437 N CB 0.168 38.583 38.487 -0.120 0.000 0.980 437 N HN 0.178 nan 8.380 nan 0.000 0.486 438 D N -0.672 119.608 120.400 -0.201 0.000 2.491 438 D HA 0.052 4.692 4.640 -0.000 0.000 0.232 438 D C -0.667 175.634 176.300 0.000 0.000 1.334 438 D CA -0.548 53.358 54.000 -0.157 0.000 0.909 438 D CB -0.419 40.339 40.800 -0.070 0.000 1.513 438 D HN -0.068 nan 8.370 nan 0.000 0.514 439 Y N 1.074 121.382 120.300 0.013 0.000 2.736 439 Y HA -0.039 4.511 4.550 -0.000 0.000 0.298 439 Y C 2.274 178.195 175.900 0.035 0.000 1.156 439 Y CA 0.808 58.924 58.100 0.025 0.000 1.384 439 Y CB -0.887 37.589 38.460 0.027 0.000 0.976 439 Y HN 0.337 nan 8.280 nan 0.000 0.556 440 T N -0.690 113.953 114.554 0.147 0.000 2.896 440 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 440 T C 0.831 175.588 174.700 0.095 0.000 1.050 440 T CA 0.651 62.811 62.100 0.100 0.000 1.140 440 T CB -0.060 68.839 68.868 0.051 0.000 0.877 440 T HN 0.157 nan 8.240 nan 0.000 0.457 441 K N 2.200 122.655 120.400 0.091 0.000 2.219 441 K HA 0.407 4.727 4.320 -0.000 0.000 0.280 441 K C -1.067 175.597 176.600 0.107 0.000 1.104 441 K CA -0.182 56.156 56.287 0.085 0.000 0.925 441 K CB 1.074 33.619 32.500 0.074 0.000 1.261 441 K HN 0.033 nan 8.250 nan 0.000 0.445 442 V N 2.691 122.666 119.914 0.102 0.000 2.531 442 V HA 0.402 4.522 4.120 -0.000 0.000 0.301 442 V C -0.965 175.174 176.094 0.076 0.000 1.034 442 V CA -0.205 62.164 62.300 0.115 0.000 0.865 442 V CB 2.020 33.955 31.823 0.187 0.000 0.995 442 V HN 0.618 nan 8.190 nan 0.000 0.424 443 T N 5.836 120.393 114.554 0.005 0.000 2.855 443 T HA 0.345 4.695 4.350 -0.000 0.000 0.281 443 T C -0.556 174.031 174.700 -0.188 0.000 1.007 443 T CA -0.276 61.781 62.100 -0.072 0.000 1.009 443 T CB 1.259 70.059 68.868 -0.114 0.000 0.983 443 T HN 0.910 nan 8.240 nan 0.000 0.455 444 C N 5.281 124.396 119.300 -0.309 0.000 2.246 444 C HA 0.443 4.903 4.460 -0.000 0.000 0.329 444 C C 1.669 176.344 174.990 -0.525 0.000 1.221 444 C CA -0.676 57.917 59.018 -0.709 0.000 1.697 444 C CB -2.117 25.103 27.740 -0.867 0.000 2.312 444 C HN 0.984 nan 8.230 nan 0.000 0.509 445 L N 4.544 125.459 121.223 -0.512 0.000 2.395 445 L HA 0.032 4.372 4.340 -0.000 0.000 0.218 445 L C 2.276 178.874 176.870 -0.452 0.000 1.130 445 L CA 1.251 55.866 54.840 -0.375 0.000 0.826 445 L CB -0.280 41.609 42.059 -0.284 0.000 0.941 445 L HN 0.886 nan 8.230 nan 0.000 0.451 446 S N -3.015 112.307 115.700 -0.630 0.000 2.524 446 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 446 S C 1.963 176.213 174.600 -0.583 0.000 1.040 446 S CA 0.009 57.743 58.200 -0.777 0.000 0.915 446 S CB -0.364 62.015 63.200 -1.368 0.000 0.831 446 S HN 0.314 nan 8.310 nan 0.000 0.492 447 C N 2.224 121.167 119.300 -0.596 0.000 2.336 447 C HA -0.118 4.342 4.460 -0.000 0.000 0.272 447 C C 2.335 177.133 174.990 -0.319 0.000 1.160 447 C CA 1.720 60.379 59.018 -0.598 0.000 1.783 447 C CB -1.192 26.054 27.740 -0.823 0.000 2.050 447 C HN 0.622 nan 8.230 nan 0.000 0.443 448 E N -0.125 119.937 120.200 -0.229 0.000 2.465 448 E HA 0.213 4.563 4.350 -0.000 0.000 0.195 448 E C 1.727 178.293 176.600 -0.057 0.000 1.028 448 E CA -0.115 56.225 56.400 -0.100 0.000 0.899 448 E CB -0.190 29.464 29.700 -0.077 0.000 1.032 448 E HN 0.569 nan 8.360 nan 0.000 0.468 449 L N -0.259 120.928 121.223 -0.060 0.000 2.017 449 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 449 L C 0.212 177.099 176.870 0.029 0.000 1.073 449 L CA 1.075 55.912 54.840 -0.004 0.000 0.745 449 L CB -0.036 42.036 42.059 0.022 0.000 0.894 449 L HN 0.083 nan 8.230 nan 0.000 0.432 450 N N -1.816 116.917 118.700 0.055 0.000 2.700 450 N HA 0.089 4.828 4.740 -0.000 0.000 0.242 450 N C -2.010 173.529 175.510 0.047 0.000 1.541 450 N CA -0.583 52.490 53.050 0.038 0.000 0.764 450 N CB 0.952 39.453 38.487 0.024 0.000 1.319 450 N HN -0.109 nan 8.380 nan 0.000 0.518 451 P HA -0.243 nan 4.420 nan 0.000 0.218 451 P C 0.502 177.839 177.300 0.061 0.000 1.150 451 P CA 1.542 64.684 63.100 0.070 0.000 0.841 451 P CB 0.603 32.345 31.700 0.071 0.000 0.784 452 E N -0.646 119.574 120.200 0.034 0.000 2.102 452 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 452 E C 2.269 178.871 176.600 0.004 0.000 0.971 452 E CA 0.577 56.989 56.400 0.021 0.000 0.821 452 E CB -0.384 29.322 29.700 0.009 0.000 0.777 452 E HN 0.319 nan 8.360 nan 0.000 0.460 453 R N -0.196 120.296 120.500 -0.014 0.000 2.173 453 R HA 0.082 4.422 4.340 -0.000 0.000 0.208 453 R C -0.087 176.167 176.300 -0.076 0.000 1.035 453 R CA 0.507 56.578 56.100 -0.050 0.000 1.004 453 R CB 0.391 30.651 30.300 -0.068 0.000 0.917 453 R HN 0.009 nan 8.270 nan 0.000 0.462 454 c N 0.837 119.404 118.600 -0.055 0.000 2.344 454 c HA 0.413 4.982 4.570 -0.000 0.000 0.326 454 c C -0.002 174.092 174.090 0.007 0.000 1.201 454 c CA -0.697 55.547 56.329 -0.142 0.000 1.410 454 c CB 1.442 43.800 42.510 -0.252 0.000 2.070 454 c HN 0.517 nan 8.230 nan 0.000 0.445 455 Q N 0.366 120.174 119.800 0.013 0.000 2.113 455 Q HA 0.190 4.530 4.340 -0.000 0.000 0.225 455 Q C -0.894 175.219 176.000 0.189 0.000 0.786 455 Q CA 0.098 55.988 55.803 0.144 0.000 0.989 455 Q CB 1.350 30.167 28.738 0.132 0.000 1.174 455 Q HN 0.791 nan 8.270 nan 0.000 0.470 456 Y N 0.541 120.813 120.300 -0.045 0.000 2.402 456 Y HA 0.399 4.949 4.550 -0.000 0.000 0.325 456 Y C -1.602 174.297 175.900 -0.001 0.000 1.009 456 Y CA -1.073 57.052 58.100 0.042 0.000 1.278 456 Y CB 0.713 39.211 38.460 0.063 0.000 1.105 456 Y HN -0.097 nan 8.280 nan 0.000 0.476 457 Y N 1.975 122.296 120.300 0.036 0.000 2.598 457 Y HA 0.712 5.262 4.550 -0.000 0.000 0.340 457 Y C 0.110 176.076 175.900 0.110 0.000 1.038 457 Y CA -0.732 57.407 58.100 0.066 0.000 1.100 457 Y CB 2.317 40.746 38.460 -0.051 0.000 1.281 457 Y HN 0.482 nan 8.280 nan 0.000 0.488 458 S N 0.585 116.517 115.700 0.387 0.000 2.627 458 S HA 0.984 5.454 4.470 -0.000 0.000 0.283 458 S C -1.299 173.461 174.600 0.267 0.000 1.127 458 S CA -0.570 57.829 58.200 0.332 0.000 0.863 458 S CB 2.033 65.509 63.200 0.460 0.000 1.121 458 S HN 1.092 nan 8.310 nan 0.000 0.479 459 A N 0.458 123.426 122.820 0.248 0.000 2.556 459 A HA 0.885 5.205 4.320 -0.000 0.000 0.294 459 A C -0.706 177.041 177.584 0.272 0.000 1.091 459 A CA -0.671 51.493 52.037 0.211 0.000 0.704 459 A CB 1.720 20.801 19.000 0.135 0.000 1.300 459 A HN 1.388 nan 8.150 nan 0.000 0.406 460 S N 0.653 116.494 115.700 0.235 0.000 2.779 460 S HA 0.687 5.157 4.470 -0.000 0.000 0.293 460 S C -1.439 173.304 174.600 0.237 0.000 1.150 460 S CA -0.351 58.058 58.200 0.349 0.000 1.057 460 S CB -0.197 63.264 63.200 0.436 0.000 1.021 460 S HN 0.439 nan 8.310 nan 0.000 0.485 461 F N 3.048 123.019 119.950 0.035 0.000 2.379 461 F HA 0.486 5.012 4.527 -0.000 0.000 0.332 461 F C 1.367 176.753 175.800 -0.691 0.000 1.096 461 F CA -0.358 57.489 58.000 -0.255 0.000 1.105 461 F CB 1.493 40.335 39.000 -0.264 0.000 1.189 461 F HN 0.622 nan 8.300 nan 0.000 0.515 462 S N 1.258 116.351 115.700 -1.011 0.000 2.641 462 S HA 0.306 4.776 4.470 -0.000 0.000 0.261 462 S C -0.179 174.249 174.600 -0.287 0.000 1.257 462 S CA -1.021 56.490 58.200 -1.148 0.000 0.983 462 S CB 0.179 62.659 63.200 -1.200 0.000 0.990 462 S HN 0.653 nan 8.310 nan 0.000 0.572 463 N N 0.969 119.628 118.700 -0.069 0.000 2.454 463 N HA 0.101 4.841 4.740 -0.000 0.000 0.254 463 N C -0.010 175.521 175.510 0.035 0.000 1.228 463 N CA -0.129 52.947 53.050 0.044 0.000 0.900 463 N CB 0.076 38.631 38.487 0.112 0.000 1.089 463 N HN 0.650 nan 8.380 nan 0.000 0.449 464 K N 0.629 121.058 120.400 0.050 0.000 3.426 464 K HA -0.304 4.016 4.320 -0.000 0.000 0.315 464 K C 0.042 176.655 176.600 0.021 0.000 1.293 464 K CA 0.543 56.859 56.287 0.049 0.000 0.955 464 K CB -1.309 31.230 32.500 0.065 0.000 1.238 464 K HN 0.880 nan 8.250 nan 0.000 0.441 465 A N -0.079 122.737 122.820 -0.008 0.000 2.745 465 A HA -0.320 4.000 4.320 -0.000 0.000 0.296 465 A C 1.055 178.635 177.584 -0.007 0.000 1.500 465 A CA 1.986 54.029 52.037 0.011 0.000 0.766 465 A CB -1.337 17.566 19.000 -0.162 0.000 1.030 465 A HN 0.511 nan 8.150 nan 0.000 0.489 466 K N -1.985 118.356 120.400 -0.098 0.000 2.186 466 K HA 0.168 4.488 4.320 -0.000 0.000 0.202 466 K C 0.077 176.336 176.600 -0.569 0.000 1.052 466 K CA 1.241 57.346 56.287 -0.304 0.000 0.965 466 K CB 0.194 32.490 32.500 -0.340 0.000 0.746 466 K HN 0.707 nan 8.250 nan 0.000 0.457 467 Y N -0.764 119.477 120.300 -0.098 0.000 2.576 467 Y HA 0.340 4.890 4.550 -0.000 0.000 0.346 467 Y C -0.752 174.977 175.900 -0.284 0.000 1.018 467 Y CA -1.599 56.419 58.100 -0.137 0.000 1.050 467 Y CB 1.664 40.094 38.460 -0.049 0.000 1.280 467 Y HN -0.037 nan 8.280 nan 0.000 0.474 468 Y N -1.179 119.019 120.300 -0.170 0.000 2.552 468 Y HA 0.509 5.059 4.550 -0.000 0.000 0.337 468 Y C -1.383 174.505 175.900 -0.020 0.000 1.094 468 Y CA -1.486 56.361 58.100 -0.422 0.000 1.028 468 Y CB 1.464 39.048 38.460 -1.460 0.000 1.321 468 Y HN 0.611 nan 8.280 nan 0.000 0.456 469 Q N 3.376 123.295 119.800 0.198 0.000 2.257 469 Q HA 0.584 4.923 4.340 -0.000 0.000 0.255 469 Q C -1.825 174.270 176.000 0.159 0.000 0.920 469 Q CA -0.747 55.142 55.803 0.142 0.000 0.927 469 Q CB 1.453 30.279 28.738 0.147 0.000 1.229 469 Q HN 0.961 nan 8.270 nan 0.000 0.433 470 L N 4.329 125.638 121.223 0.143 0.000 2.317 470 L HA 0.553 4.892 4.340 -0.000 0.000 0.281 470 L C -0.441 176.454 176.870 0.042 0.000 1.024 470 L CA -0.618 54.306 54.840 0.141 0.000 0.810 470 L CB 1.436 43.553 42.059 0.096 0.000 1.240 470 L HN 0.651 nan 8.230 nan 0.000 0.427 471 R N 2.709 123.199 120.500 -0.016 0.000 2.409 471 R HA 0.336 4.676 4.340 -0.000 0.000 0.313 471 R C -1.118 174.743 176.300 -0.732 0.000 0.953 471 R CA -0.523 55.256 56.100 -0.536 0.000 0.849 471 R CB 1.755 31.799 30.300 -0.427 0.000 1.171 471 R HN 0.555 nan 8.270 nan 0.000 0.458 472 c N 4.629 122.636 118.600 -0.989 0.000 2.273 472 c HA 0.475 5.045 4.570 -0.000 0.000 0.328 472 c C 0.411 173.981 174.090 -0.868 0.000 1.275 472 c CA -0.553 55.178 56.329 -0.996 0.000 1.704 472 c CB -0.741 41.239 42.510 -0.883 0.000 2.326 472 c HN 0.963 nan 8.230 nan 0.000 0.517 473 F N 4.420 124.252 119.950 -0.198 0.000 2.653 473 F HA 0.480 5.007 4.527 -0.000 0.000 0.304 473 F C 1.430 177.204 175.800 -0.043 0.000 1.092 473 F CA 0.658 58.614 58.000 -0.072 0.000 1.279 473 F CB 0.212 39.200 39.000 -0.021 0.000 1.044 473 F HN 1.010 nan 8.300 nan 0.000 0.564 474 G N 0.255 109.071 108.800 0.027 0.000 2.359 474 G HA2 0.079 4.038 3.960 -0.000 0.000 0.293 474 G HA3 0.079 4.038 3.960 -0.000 0.000 0.293 474 G C -2.516 172.389 174.900 0.008 0.000 1.300 474 G CA -0.684 44.444 45.100 0.047 0.000 0.888 474 G HN -0.295 nan 8.290 nan 0.000 0.541 475 P HA 0.110 nan 4.420 nan 0.000 0.230 475 P C 1.280 178.620 177.300 0.067 0.000 1.158 475 P CA 1.517 64.658 63.100 0.068 0.000 0.769 475 P CB 0.216 31.946 31.700 0.051 0.000 0.807 476 G N 0.317 109.093 108.800 -0.040 0.000 2.510 476 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 476 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 476 G C -0.286 174.398 174.900 -0.360 0.000 1.386 476 G CA -0.780 44.227 45.100 -0.155 0.000 1.047 476 G HN 0.035 nan 8.290 nan 0.000 0.527 477 L N 1.265 122.182 121.223 -0.510 0.000 2.490 477 L HA 0.140 4.480 4.340 -0.000 0.000 0.274 477 L C -1.865 174.816 176.870 -0.314 0.000 1.201 477 L CA -1.206 53.252 54.840 -0.636 0.000 0.869 477 L CB 0.505 42.291 42.059 -0.455 0.000 1.123 477 L HN 0.233 nan 8.230 nan 0.000 0.484 478 P HA -0.007 nan 4.420 nan 0.000 0.264 478 P C -0.912 176.309 177.300 -0.132 0.000 1.179 478 P CA 0.122 63.140 63.100 -0.137 0.000 0.763 478 P CB 0.507 32.273 31.700 0.109 0.000 0.806 479 L N 4.617 125.650 121.223 -0.317 0.000 2.476 479 L HA 0.466 4.805 4.340 -0.000 0.000 0.269 479 L C -1.828 174.844 176.870 -0.330 0.000 0.965 479 L CA -0.581 54.147 54.840 -0.186 0.000 0.845 479 L CB 0.938 42.896 42.059 -0.167 0.000 1.259 479 L HN 0.191 nan 8.230 nan 0.000 0.403 480 Y N 2.596 122.809 120.300 -0.145 0.000 2.341 480 Y HA 0.804 5.354 4.550 -0.000 0.000 0.337 480 Y C 0.594 176.374 175.900 -0.201 0.000 1.014 480 Y CA -0.459 57.546 58.100 -0.157 0.000 1.111 480 Y CB 2.126 40.494 38.460 -0.153 0.000 1.194 480 Y HN 0.686 nan 8.280 nan 0.000 0.462 481 T N 1.264 115.795 114.554 -0.038 0.000 2.896 481 T HA 0.601 4.951 4.350 -0.000 0.000 0.297 481 T C -1.625 172.981 174.700 -0.158 0.000 1.108 481 T CA -0.931 61.091 62.100 -0.130 0.000 1.004 481 T CB 1.853 70.697 68.868 -0.040 0.000 1.159 481 T HN 0.520 nan 8.240 nan 0.000 0.499 482 L N 2.052 123.071 121.223 -0.340 0.000 2.322 482 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 482 L C -1.364 175.206 176.870 -0.500 0.000 1.014 482 L CA -0.418 54.259 54.840 -0.272 0.000 0.815 482 L CB 1.114 43.048 42.059 -0.207 0.000 1.247 482 L HN 0.942 nan 8.230 nan 0.000 0.421 483 H N 1.273 120.075 119.070 -0.447 0.000 2.797 483 H HA 0.443 4.999 4.556 -0.000 0.000 0.372 483 H C -0.640 174.473 175.328 -0.358 0.000 1.168 483 H CA -0.452 55.264 56.048 -0.552 0.000 1.163 483 H CB 1.979 31.098 29.762 -1.071 0.000 1.778 483 H HN 0.516 nan 8.280 nan 0.000 0.551 484 S N -0.057 115.627 115.700 -0.026 0.000 2.525 484 S HA 0.235 4.705 4.470 -0.000 0.000 0.290 484 S C 0.582 175.197 174.600 0.024 0.000 1.152 484 S CA -0.568 57.642 58.200 0.018 0.000 1.072 484 S CB 0.871 64.109 63.200 0.064 0.000 1.027 484 S HN 0.631 nan 8.310 nan 0.000 0.500 485 S N 2.778 118.470 115.700 -0.013 0.000 2.461 485 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 485 S C 2.066 176.687 174.600 0.035 0.000 1.005 485 S CA 1.029 59.301 58.200 0.121 0.000 0.942 485 S CB -0.203 63.054 63.200 0.094 0.000 0.776 485 S HN 0.880 nan 8.310 nan 0.000 0.514 486 S N 2.103 117.785 115.700 -0.030 0.000 2.348 486 S HA -0.043 4.426 4.470 -0.000 0.000 0.219 486 S C 1.820 176.422 174.600 0.003 0.000 1.033 486 S CA 1.125 59.317 58.200 -0.013 0.000 0.974 486 S CB -0.522 62.661 63.200 -0.028 0.000 0.868 486 S HN 0.527 nan 8.310 nan 0.000 0.459 487 S N 0.141 115.848 115.700 0.011 0.000 2.540 487 S HA 0.230 4.700 4.470 -0.000 0.000 0.218 487 S C 0.100 174.716 174.600 0.028 0.000 0.977 487 S CA 0.335 58.546 58.200 0.019 0.000 0.918 487 S CB -0.275 62.939 63.200 0.022 0.000 0.806 487 S HN 0.300 nan 8.310 nan 0.000 0.496 488 D N 1.083 121.513 120.400 0.050 0.000 3.068 488 D HA -0.190 4.449 4.640 -0.000 0.000 0.219 488 D C 0.104 176.456 176.300 0.087 0.000 1.175 488 D CA 1.417 55.467 54.000 0.082 0.000 0.942 488 D CB -1.109 39.712 40.800 0.035 0.000 1.127 488 D HN 0.708 nan 8.370 nan 0.000 0.404 489 K N 1.125 121.557 120.400 0.053 0.000 2.295 489 K HA 0.112 4.432 4.320 -0.000 0.000 0.270 489 K C 0.194 176.784 176.600 -0.016 0.000 1.011 489 K CA -0.277 56.026 56.287 0.027 0.000 0.953 489 K CB 0.662 33.167 32.500 0.008 0.000 0.956 489 K HN 0.026 nan 8.250 nan 0.000 0.477 490 E N 5.799 125.944 120.200 -0.092 0.000 1.963 490 E HA 0.009 4.359 4.350 -0.000 0.000 0.274 490 E C 0.885 177.316 176.600 -0.281 0.000 1.061 490 E CA -0.536 55.636 56.400 -0.379 0.000 0.847 490 E CB 0.329 29.834 29.700 -0.325 0.000 1.083 490 E HN 0.594 nan 8.360 nan 0.000 0.402 491 L N 3.991 125.053 121.223 -0.269 0.000 2.013 491 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 491 L C 1.397 178.168 176.870 -0.164 0.000 1.073 491 L CA 1.921 56.668 54.840 -0.155 0.000 0.753 491 L CB -1.674 40.318 42.059 -0.111 0.000 0.890 491 L HN 0.736 nan 8.230 nan 0.000 0.432 492 R N -2.655 117.703 120.500 -0.237 0.000 2.780 492 R HA 0.396 4.736 4.340 -0.000 0.000 0.280 492 R C -1.688 174.467 176.300 -0.243 0.000 1.016 492 R CA -0.770 55.211 56.100 -0.199 0.000 0.854 492 R CB 1.446 31.654 30.300 -0.154 0.000 1.293 492 R HN -0.260 nan 8.270 nan 0.000 0.483 493 V N 2.886 122.682 119.914 -0.196 0.000 2.364 493 V HA 0.223 4.342 4.120 -0.000 0.000 0.272 493 V C 1.329 177.267 176.094 -0.261 0.000 1.036 493 V CA -0.489 61.695 62.300 -0.194 0.000 0.880 493 V CB 1.127 32.876 31.823 -0.125 0.000 0.991 493 V HN 0.627 nan 8.190 nan 0.000 0.460 494 L N 2.768 123.758 121.223 -0.389 0.000 2.162 494 L HA 0.238 4.578 4.340 -0.000 0.000 0.205 494 L C 0.758 177.374 176.870 -0.423 0.000 1.086 494 L CA 0.830 55.239 54.840 -0.718 0.000 0.778 494 L CB 0.163 41.389 42.059 -1.388 0.000 0.928 494 L HN 0.676 nan 8.230 nan 0.000 0.446 495 E N -0.115 119.973 120.200 -0.187 0.000 2.406 495 E HA 0.072 4.422 4.350 -0.000 0.000 0.297 495 E C -1.195 175.428 176.600 0.038 0.000 0.917 495 E CA -0.321 56.059 56.400 -0.034 0.000 0.795 495 E CB 0.998 30.691 29.700 -0.013 0.000 1.285 495 E HN 0.148 nan 8.360 nan 0.000 0.400 496 D N 3.374 123.777 120.400 0.006 0.000 2.469 496 D HA 0.127 4.767 4.640 -0.000 0.000 0.215 496 D C -0.293 176.004 176.300 -0.005 0.000 1.154 496 D CA -0.256 53.743 54.000 -0.002 0.000 0.832 496 D CB -0.066 40.715 40.800 -0.030 0.000 1.008 496 D HN 0.464 nan 8.370 nan 0.000 0.506 497 N N 0.775 119.483 118.700 0.014 0.000 2.708 497 N HA -0.218 4.521 4.740 -0.000 0.000 0.249 497 N C 1.047 176.557 175.510 -0.001 0.000 1.097 497 N CA 0.934 53.991 53.050 0.012 0.000 0.710 497 N CB -1.358 37.135 38.487 0.009 0.000 1.032 497 N HN 0.501 nan 8.380 nan 0.000 0.551 498 S N -1.275 114.423 115.700 -0.003 0.000 2.419 498 S HA -0.051 4.419 4.470 -0.000 0.000 0.233 498 S C 2.056 176.666 174.600 0.016 0.000 1.016 498 S CA 0.964 59.163 58.200 -0.002 0.000 0.974 498 S CB -0.050 63.148 63.200 -0.004 0.000 0.786 498 S HN 0.501 nan 8.310 nan 0.000 0.492 499 A N 1.953 124.788 122.820 0.025 0.000 1.873 499 A HA 0.113 4.433 4.320 -0.000 0.000 0.215 499 A C 2.214 179.843 177.584 0.075 0.000 1.186 499 A CA 1.486 53.549 52.037 0.042 0.000 0.616 499 A CB -0.895 18.126 19.000 0.035 0.000 0.823 499 A HN 0.537 nan 8.150 nan 0.000 0.442 500 L N 0.460 121.734 121.223 0.084 0.000 2.046 500 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 500 L C 1.867 178.801 176.870 0.107 0.000 1.077 500 L CA 2.798 57.721 54.840 0.138 0.000 0.747 500 L CB -0.849 41.286 42.059 0.128 0.000 0.896 500 L HN 0.503 nan 8.230 nan 0.000 0.432 501 D N -0.736 119.689 120.400 0.040 0.000 2.116 501 D HA -0.286 4.354 4.640 -0.000 0.000 0.193 501 D C 2.182 178.510 176.300 0.046 0.000 0.998 501 D CA 1.523 55.532 54.000 0.014 0.000 0.836 501 D CB 0.005 40.797 40.800 -0.013 0.000 0.951 501 D HN 0.229 nan 8.370 nan 0.000 0.449 502 K N -0.067 120.369 120.400 0.059 0.000 2.009 502 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 502 K C 2.123 178.789 176.600 0.110 0.000 1.049 502 K CA 1.561 57.889 56.287 0.069 0.000 0.929 502 K CB -0.356 32.181 32.500 0.061 0.000 0.714 502 K HN 0.223 nan 8.250 nan 0.000 0.440 503 M N 0.046 119.745 119.600 0.166 0.000 2.108 503 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 503 M C 2.055 178.528 176.300 0.289 0.000 1.066 503 M CA 1.588 57.058 55.300 0.283 0.000 1.107 503 M CB -0.369 32.493 32.600 0.436 0.000 1.356 503 M HN 0.120 nan 8.290 nan 0.000 0.406 504 L N 0.177 121.500 121.223 0.166 0.000 2.291 504 L HA -0.177 4.162 4.340 -0.000 0.000 0.214 504 L C 2.610 179.502 176.870 0.036 0.000 1.120 504 L CA 0.830 55.687 54.840 0.028 0.000 0.799 504 L CB -0.697 41.352 42.059 -0.015 0.000 0.925 504 L HN 0.476 nan 8.230 nan 0.000 0.446 505 Q N -0.810 119.025 119.800 0.058 0.000 2.488 505 Q HA -0.184 4.156 4.340 -0.000 0.000 0.211 505 Q C 1.238 177.276 176.000 0.064 0.000 0.967 505 Q CA 1.096 56.926 55.803 0.046 0.000 0.926 505 Q CB -0.182 28.580 28.738 0.039 0.000 0.992 505 Q HN 0.409 nan 8.270 nan 0.000 0.506 506 D N 0.710 121.166 120.400 0.093 0.000 2.339 506 D HA 0.053 4.693 4.640 -0.000 0.000 0.217 506 D C -0.461 175.910 176.300 0.118 0.000 1.050 506 D CA 0.005 54.069 54.000 0.108 0.000 0.856 506 D CB 0.998 41.878 40.800 0.134 0.000 0.922 506 D HN 0.130 nan 8.370 nan 0.000 0.518 507 V N 0.821 120.793 119.914 0.097 0.000 2.823 507 V HA 0.290 4.410 4.120 -0.000 0.000 0.312 507 V C -0.985 175.150 176.094 0.067 0.000 1.072 507 V CA -0.709 61.647 62.300 0.093 0.000 0.937 507 V CB 2.114 33.984 31.823 0.078 0.000 1.013 507 V HN -0.115 nan 8.190 nan 0.000 0.430 508 Q N 5.861 125.719 119.800 0.096 0.000 2.513 508 Q HA 0.301 4.641 4.340 -0.000 0.000 0.227 508 Q C -0.367 175.668 176.000 0.059 0.000 1.257 508 Q CA -0.065 55.798 55.803 0.101 0.000 0.915 508 Q CB 0.490 29.326 28.738 0.163 0.000 1.507 508 Q HN 0.573 nan 8.270 nan 0.000 0.543 509 M N 3.812 123.414 119.600 0.004 0.000 2.250 509 M HA 0.342 4.822 4.480 -0.000 0.000 0.344 509 M C -1.925 174.341 176.300 -0.057 0.000 1.150 509 M CA -2.170 53.101 55.300 -0.048 0.000 1.147 509 M CB 0.193 32.751 32.600 -0.070 0.000 1.498 509 M HN 0.336 nan 8.290 nan 0.000 0.461 510 P HA 0.294 nan 4.420 nan 0.000 0.279 510 P C -1.014 176.215 177.300 -0.119 0.000 1.276 510 P CA -0.417 62.617 63.100 -0.111 0.000 0.801 510 P CB 0.753 32.369 31.700 -0.141 0.000 1.127 511 S N -1.085 114.528 115.700 -0.144 0.000 2.568 511 S HA 0.544 5.014 4.470 -0.000 0.000 0.302 511 S C -0.558 173.953 174.600 -0.149 0.000 1.082 511 S CA -0.835 57.289 58.200 -0.127 0.000 1.009 511 S CB 1.795 64.921 63.200 -0.123 0.000 1.069 511 S HN 0.470 nan 8.310 nan 0.000 0.500 512 K N 1.416 121.754 120.400 -0.102 0.000 2.307 512 K HA 0.386 4.706 4.320 -0.000 0.000 0.263 512 K C -1.031 175.526 176.600 -0.072 0.000 0.973 512 K CA -0.511 55.722 56.287 -0.091 0.000 0.846 512 K CB 0.956 33.422 32.500 -0.057 0.000 1.100 512 K HN 0.732 nan 8.250 nan 0.000 0.438 513 K N 5.340 125.687 120.400 -0.088 0.000 2.292 513 K HA 0.337 4.657 4.320 -0.000 0.000 0.257 513 K C -1.462 175.105 176.600 -0.056 0.000 0.940 513 K CA -0.765 55.483 56.287 -0.066 0.000 0.811 513 K CB 0.999 33.442 32.500 -0.096 0.000 1.120 513 K HN 0.425 nan 8.250 nan 0.000 0.428 514 L N 3.238 124.448 121.223 -0.021 0.000 2.329 514 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 514 L C -0.297 176.542 176.870 -0.052 0.000 1.014 514 L CA -0.042 54.799 54.840 0.002 0.000 0.814 514 L CB 1.702 43.857 42.059 0.160 0.000 1.257 514 L HN 0.793 nan 8.230 nan 0.000 0.424 515 D N 0.684 120.887 120.400 -0.329 0.000 2.838 515 D HA 0.642 5.282 4.640 -0.000 0.000 0.334 515 D C -1.610 174.346 176.300 -0.575 0.000 1.315 515 D CA -0.146 53.603 54.000 -0.419 0.000 0.917 515 D CB 2.165 42.767 40.800 -0.330 0.000 1.435 515 D HN 0.123 nan 8.370 nan 0.000 0.517 516 V N 0.758 120.455 119.914 -0.362 0.000 3.102 516 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 516 V C -0.237 175.967 176.094 0.183 0.000 1.135 516 V CA -0.739 61.423 62.300 -0.230 0.000 1.022 516 V CB 2.060 33.507 31.823 -0.627 0.000 1.056 516 V HN 0.580 nan 8.190 nan 0.000 0.436 517 I N -0.446 120.266 120.570 0.237 0.000 3.102 517 I HA 0.702 4.872 4.170 -0.000 0.000 0.310 517 I C -1.304 174.903 176.117 0.150 0.000 1.246 517 I CA -0.819 60.589 61.300 0.180 0.000 0.979 517 I CB 2.703 40.772 38.000 0.115 0.000 1.267 517 I HN 0.443 nan 8.210 nan 0.000 0.451 518 N N 3.215 121.953 118.700 0.064 0.000 2.430 518 N HA 0.778 5.517 4.740 -0.000 0.000 0.292 518 N C -1.511 174.024 175.510 0.041 0.000 1.051 518 N CA -0.317 52.769 53.050 0.059 0.000 0.917 518 N CB 1.822 40.308 38.487 -0.002 0.000 1.164 518 N HN 0.525 nan 8.380 nan 0.000 0.484 519 L N 2.327 123.621 121.223 0.118 0.000 2.476 519 L HA 0.311 4.651 4.340 -0.000 0.000 0.269 519 L C -0.580 176.202 176.870 -0.148 0.000 0.965 519 L CA -0.753 53.988 54.840 -0.164 0.000 0.845 519 L CB 1.462 43.446 42.059 -0.125 0.000 1.259 519 L HN 0.827 nan 8.230 nan 0.000 0.403 520 H N 1.088 120.224 119.070 0.110 0.000 2.741 520 H HA -0.193 4.363 4.556 -0.000 0.000 0.305 520 H C 1.231 176.590 175.328 0.051 0.000 1.169 520 H CA 0.854 56.942 56.048 0.066 0.000 1.144 520 H CB -1.596 28.203 29.762 0.061 0.000 1.397 520 H HN 1.102 nan 8.280 nan 0.000 0.409 521 G N -1.285 107.561 108.800 0.075 0.000 2.168 521 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.263 521 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.263 521 G C 0.300 175.204 174.900 0.006 0.000 0.977 521 G CA 0.635 45.756 45.100 0.035 0.000 0.659 521 G HN 0.738 nan 8.290 nan 0.000 0.533 522 T N 0.976 115.538 114.554 0.012 0.000 2.823 522 T HA 0.557 4.907 4.350 -0.000 0.000 0.279 522 T C 0.179 174.673 174.700 -0.343 0.000 0.998 522 T CA -0.354 61.630 62.100 -0.193 0.000 0.994 522 T CB 1.607 70.300 68.868 -0.292 0.000 0.960 522 T HN 0.592 nan 8.240 nan 0.000 0.448 523 K N 2.497 122.673 120.400 -0.372 0.000 2.258 523 K HA 0.584 4.904 4.320 -0.000 0.000 0.284 523 K C -1.289 175.051 176.600 -0.432 0.000 1.051 523 K CA -0.456 55.667 56.287 -0.274 0.000 0.923 523 K CB 0.555 32.943 32.500 -0.186 0.000 1.046 523 K HN 0.364 nan 8.250 nan 0.000 0.474 524 F N 1.356 121.362 119.950 0.093 0.000 2.561 524 F HA 0.438 4.965 4.527 -0.000 0.000 0.321 524 F C -0.478 175.405 175.800 0.138 0.000 1.065 524 F CA -0.903 57.179 58.000 0.136 0.000 0.934 524 F CB 1.180 40.239 39.000 0.099 0.000 1.215 524 F HN 0.500 nan 8.300 nan 0.000 0.471 525 W N 1.635 123.108 121.300 0.289 0.000 2.359 525 W HA 0.546 5.206 4.660 -0.000 0.000 0.344 525 W C -0.804 175.955 176.519 0.400 0.000 1.170 525 W CA -0.450 57.052 57.345 0.261 0.000 1.296 525 W CB 0.798 30.340 29.460 0.136 0.000 1.197 525 W HN 0.414 nan 8.180 nan 0.000 0.618 526 Y N -0.552 120.099 120.300 0.584 0.000 2.638 526 Y HA 0.610 5.160 4.550 -0.000 0.000 0.335 526 Y C -1.133 174.990 175.900 0.372 0.000 1.155 526 Y CA -1.828 56.605 58.100 0.555 0.000 1.046 526 Y CB 0.976 39.939 38.460 0.838 0.000 1.303 526 Y HN 0.586 nan 8.280 nan 0.000 0.460 527 Q N 2.415 122.458 119.800 0.405 0.000 2.456 527 Q HA 0.814 5.154 4.340 -0.000 0.000 0.283 527 Q C -1.777 174.329 176.000 0.176 0.000 1.084 527 Q CA -1.257 54.648 55.803 0.171 0.000 0.801 527 Q CB 3.496 32.308 28.738 0.123 0.000 1.434 527 Q HN 0.841 nan 8.270 nan 0.000 0.419 528 M N 2.103 121.728 119.600 0.041 0.000 2.271 528 M HA 0.423 4.903 4.480 -0.000 0.000 0.285 528 M C -1.373 174.843 176.300 -0.140 0.000 1.059 528 M CA -0.831 54.432 55.300 -0.062 0.000 0.940 528 M CB 2.305 34.839 32.600 -0.111 0.000 1.636 528 M HN 0.595 nan 8.290 nan 0.000 0.460 529 I N 5.041 125.521 120.570 -0.150 0.000 2.301 529 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 529 I C -0.383 175.564 176.117 -0.284 0.000 1.046 529 I CA -0.265 60.924 61.300 -0.184 0.000 1.282 529 I CB 0.286 38.199 38.000 -0.145 0.000 1.409 529 I HN 0.647 nan 8.210 nan 0.000 0.484 530 L N 8.314 129.313 121.223 -0.374 0.000 2.307 530 L HA 0.438 4.778 4.340 -0.000 0.000 0.282 530 L C -2.174 174.478 176.870 -0.363 0.000 1.051 530 L CA -1.801 52.699 54.840 -0.567 0.000 0.804 530 L CB 1.144 42.655 42.059 -0.914 0.000 1.197 530 L HN 0.256 nan 8.230 nan 0.000 0.431 531 P HA 0.085 nan 4.420 nan 0.000 0.268 531 P C -2.468 174.826 177.300 -0.010 0.000 1.208 531 P CA -0.822 62.210 63.100 -0.113 0.000 0.777 531 P CB -0.071 31.602 31.700 -0.045 0.000 0.875 532 P HA 0.000 nan 4.420 nan 0.000 0.268 532 P C -0.640 176.806 177.300 0.244 0.000 1.208 532 P CA 0.511 63.677 63.100 0.110 0.000 0.777 532 P CB -0.224 31.601 31.700 0.208 0.000 0.875 533 H N -1.425 117.685 119.070 0.067 0.000 2.692 533 H HA -0.214 4.341 4.556 -0.000 0.000 0.316 533 H C -0.188 175.210 175.328 0.117 0.000 1.176 533 H CA -0.002 56.091 56.048 0.074 0.000 1.142 533 H CB -2.508 27.288 29.762 0.058 0.000 1.475 533 H HN 0.285 nan 8.280 nan 0.000 0.423 534 F N 2.080 122.025 119.950 -0.007 0.000 2.571 534 F HA 0.139 4.665 4.527 -0.000 0.000 0.390 534 F C 0.578 176.390 175.800 0.021 0.000 1.043 534 F CA -0.604 57.356 58.000 -0.068 0.000 1.164 534 F CB 0.349 39.207 39.000 -0.237 0.000 1.049 534 F HN 0.335 nan 8.300 nan 0.000 0.552 535 D N 6.483 126.655 120.400 -0.380 0.000 2.473 535 D HA 0.115 4.755 4.640 -0.000 0.000 0.226 535 D C 0.773 176.724 176.300 -0.582 0.000 1.089 535 D CA -0.599 53.196 54.000 -0.342 0.000 0.883 535 D CB 0.680 41.427 40.800 -0.089 0.000 1.029 535 D HN 0.457 nan 8.370 nan 0.000 0.517 536 K N 2.060 122.035 120.400 -0.708 0.000 2.589 536 K HA -0.143 4.177 4.320 -0.000 0.000 0.195 536 K C 0.981 177.542 176.600 -0.064 0.000 1.042 536 K CA 0.510 56.545 56.287 -0.420 0.000 0.940 536 K CB -0.461 31.963 32.500 -0.127 0.000 0.776 536 K HN 0.269 nan 8.250 nan 0.000 0.487 537 S N 0.390 116.032 115.700 -0.097 0.000 2.324 537 S HA -0.035 4.435 4.470 -0.000 0.000 0.210 537 S C 0.858 175.437 174.600 -0.034 0.000 1.027 537 S CA -0.012 58.165 58.200 -0.039 0.000 0.945 537 S CB -0.088 63.078 63.200 -0.057 0.000 0.908 537 S HN 0.484 nan 8.310 nan 0.000 0.496 538 K N 1.359 121.697 120.400 -0.103 0.000 2.339 538 K HA -0.018 4.302 4.320 -0.000 0.000 0.260 538 K C -0.866 175.632 176.600 -0.170 0.000 0.989 538 K CA 0.521 56.682 56.287 -0.210 0.000 0.888 538 K CB 0.209 32.460 32.500 -0.415 0.000 0.983 538 K HN 0.226 nan 8.250 nan 0.000 0.515 539 K N 2.771 123.034 120.400 -0.229 0.000 2.367 539 K HA 0.193 4.513 4.320 -0.000 0.000 0.263 539 K C -1.327 175.172 176.600 -0.169 0.000 1.000 539 K CA -0.537 55.704 56.287 -0.078 0.000 0.891 539 K CB 0.889 33.356 32.500 -0.054 0.000 1.117 539 K HN 0.342 nan 8.250 nan 0.000 0.443 540 Y N 2.806 123.144 120.300 0.063 0.000 2.403 540 Y HA 0.288 4.838 4.550 -0.000 0.000 0.323 540 Y C -1.846 173.990 175.900 -0.107 0.000 1.226 540 Y CA -2.554 55.547 58.100 0.001 0.000 1.235 540 Y CB 0.265 38.777 38.460 0.086 0.000 1.248 540 Y HN 0.474 nan 8.280 nan 0.000 0.489 541 P HA 0.189 nan 4.420 nan 0.000 0.274 541 P C -1.097 176.054 177.300 -0.250 0.000 1.246 541 P CA -0.272 62.540 63.100 -0.480 0.000 0.795 541 P CB 1.493 32.452 31.700 -1.235 0.000 1.006 542 L N 1.769 122.876 121.223 -0.194 0.000 2.381 542 L HA 0.464 4.804 4.340 -0.000 0.000 0.274 542 L C -1.166 175.844 176.870 0.234 0.000 0.988 542 L CA -1.176 53.687 54.840 0.039 0.000 0.824 542 L CB 1.677 43.774 42.059 0.062 0.000 1.263 542 L HN 0.199 nan 8.230 nan 0.000 0.410 543 L N 6.211 127.588 121.223 0.257 0.000 2.325 543 L HA 0.539 4.879 4.340 -0.000 0.000 0.281 543 L C -0.921 176.154 176.870 0.341 0.000 1.004 543 L CA -0.212 54.851 54.840 0.372 0.000 0.823 543 L CB 1.355 43.601 42.059 0.312 0.000 1.236 543 L HN 0.364 nan 8.230 nan 0.000 0.415 544 I N 4.215 125.037 120.570 0.421 0.000 2.315 544 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 544 I C 0.162 176.512 176.117 0.388 0.000 1.006 544 I CA -0.125 61.408 61.300 0.389 0.000 1.265 544 I CB 1.232 39.507 38.000 0.458 0.000 1.387 544 I HN 0.715 nan 8.210 nan 0.000 0.475 545 E N 6.133 126.525 120.200 0.319 0.000 2.113 545 E HA 0.470 4.820 4.350 -0.000 0.000 0.273 545 E C -1.472 175.196 176.600 0.115 0.000 0.924 545 E CA -0.399 56.105 56.400 0.173 0.000 0.764 545 E CB 1.840 31.706 29.700 0.276 0.000 1.104 545 E HN 0.432 nan 8.360 nan 0.000 0.406 546 V N 5.717 125.645 119.914 0.023 0.000 2.815 546 V HA 0.415 4.535 4.120 -0.000 0.000 0.314 546 V C -1.074 175.128 176.094 0.181 0.000 1.064 546 V CA -0.218 62.163 62.300 0.136 0.000 0.952 546 V CB 1.697 33.613 31.823 0.155 0.000 1.020 546 V HN 0.945 nan 8.190 nan 0.000 0.439 547 Y N 4.591 124.959 120.300 0.112 0.000 3.274 547 Y HA 0.450 5.000 4.550 -0.000 0.000 0.174 547 Y C 1.606 177.631 175.900 0.208 0.000 0.880 547 Y CA 0.257 58.446 58.100 0.149 0.000 1.793 547 Y CB 0.452 38.980 38.460 0.113 0.000 1.409 547 Y HN 0.936 nan 8.280 nan 0.000 0.368 548 A N 1.388 124.239 122.820 0.051 0.000 2.945 548 A HA -0.215 4.105 4.320 -0.000 0.000 0.263 548 A C 0.679 178.036 177.584 -0.378 0.000 1.293 548 A CA 0.999 52.987 52.037 -0.081 0.000 0.944 548 A CB -2.521 16.580 19.000 0.169 0.000 1.093 548 A HN 0.833 nan 8.150 nan 0.000 0.786 549 G N -0.286 107.931 108.800 -0.971 0.000 2.569 549 G HA2 0.488 4.447 3.960 -0.000 0.000 0.249 549 G HA3 0.488 4.447 3.960 -0.000 0.000 0.249 549 G C -1.772 172.606 174.900 -0.871 0.000 1.216 549 G CA -0.578 43.657 45.100 -1.441 0.000 0.845 549 G HN 0.419 nan 8.290 nan 0.000 0.568 550 P HA 0.002 nan 4.420 nan 0.000 0.264 550 P C 0.625 177.634 177.300 -0.484 0.000 1.193 550 P CA 0.268 63.001 63.100 -0.612 0.000 0.763 550 P CB 0.817 31.854 31.700 -1.105 0.000 0.810 551 C N 2.141 121.248 119.300 -0.320 0.000 4.475 551 C HA -0.137 4.323 4.460 -0.000 0.000 0.280 551 C C 0.999 175.849 174.990 -0.234 0.000 1.338 551 C CA 1.138 59.938 59.018 -0.364 0.000 1.893 551 C CB -2.600 24.752 27.740 -0.646 0.000 1.299 551 C HN 0.833 nan 8.230 nan 0.000 0.767 552 S N -0.066 115.491 115.700 -0.238 0.000 2.672 552 S HA 0.637 5.107 4.470 -0.000 0.000 0.276 552 S C -0.604 174.018 174.600 0.038 0.000 1.207 552 S CA -0.006 58.088 58.200 -0.177 0.000 1.002 552 S CB 1.742 64.391 63.200 -0.919 0.000 0.998 552 S HN 0.773 nan 8.310 nan 0.000 0.542 553 Q N 0.119 120.036 119.800 0.196 0.000 2.650 553 Q HA 0.312 4.652 4.340 -0.000 0.000 0.239 553 Q C -0.458 175.672 176.000 0.216 0.000 0.893 553 Q CA -0.594 55.350 55.803 0.236 0.000 0.755 553 Q CB 0.791 29.737 28.738 0.347 0.000 1.349 553 Q HN 0.639 nan 8.270 nan 0.000 0.461 554 K N 1.200 121.713 120.400 0.187 0.000 2.361 554 K HA 0.160 4.480 4.320 -0.000 0.000 0.196 554 K C 0.084 176.782 176.600 0.163 0.000 1.039 554 K CA 0.381 56.788 56.287 0.199 0.000 1.001 554 K CB 0.819 33.452 32.500 0.221 0.000 0.795 554 K HN 0.351 nan 8.250 nan 0.000 0.495 555 V N 4.047 124.056 119.914 0.158 0.000 2.304 555 V HA 0.105 4.225 4.120 -0.000 0.000 0.269 555 V C -0.434 175.706 176.094 0.076 0.000 1.036 555 V CA -0.690 61.699 62.300 0.147 0.000 0.840 555 V CB 0.639 32.597 31.823 0.226 0.000 1.036 555 V HN 0.286 nan 8.190 nan 0.000 0.466 556 D N 2.309 122.735 120.400 0.044 0.000 2.798 556 D HA 0.396 5.036 4.640 -0.000 0.000 0.308 556 D C 0.475 176.769 176.300 -0.009 0.000 1.187 556 D CA -0.077 53.933 54.000 0.016 0.000 1.033 556 D CB 1.521 42.323 40.800 0.003 0.000 1.445 556 D HN 0.292 nan 8.370 nan 0.000 0.550 557 T N -2.166 112.392 114.554 0.006 0.000 3.243 557 T HA 0.386 4.736 4.350 -0.000 0.000 0.264 557 T C 0.098 174.770 174.700 -0.048 0.000 1.000 557 T CA -0.472 61.638 62.100 0.016 0.000 0.901 557 T CB -0.778 68.143 68.868 0.088 0.000 1.083 557 T HN 0.259 nan 8.240 nan 0.000 0.559 558 V N 2.429 122.217 119.914 -0.211 0.000 2.649 558 V HA 0.381 4.501 4.120 -0.000 0.000 0.292 558 V C 0.094 176.184 176.094 -0.006 0.000 1.055 558 V CA -1.004 61.172 62.300 -0.207 0.000 1.023 558 V CB 0.396 31.971 31.823 -0.414 0.000 0.992 558 V HN 0.616 nan 8.190 nan 0.000 0.480 559 F N 6.160 126.082 119.950 -0.047 0.000 2.438 559 F HA 0.562 5.089 4.527 -0.000 0.000 0.356 559 F C 0.466 176.265 175.800 -0.001 0.000 1.099 559 F CA -0.190 57.797 58.000 -0.022 0.000 1.185 559 F CB 0.252 39.252 39.000 0.001 0.000 1.115 559 F HN 0.412 nan 8.300 nan 0.000 0.526 560 R N 6.406 126.472 120.500 -0.723 0.000 2.533 560 R HA 0.373 4.713 4.340 -0.000 0.000 0.288 560 R C -1.878 174.038 176.300 -0.640 0.000 1.039 560 R CA -1.192 54.598 56.100 -0.518 0.000 0.909 560 R CB 1.777 31.947 30.300 -0.217 0.000 1.195 560 R HN 0.471 nan 8.270 nan 0.000 0.438 561 L N 3.212 124.182 121.223 -0.420 0.000 2.302 561 L HA 0.258 4.597 4.340 -0.000 0.000 0.285 561 L C 0.278 177.132 176.870 -0.027 0.000 1.090 561 L CA 0.307 54.979 54.840 -0.280 0.000 0.866 561 L CB 0.380 42.449 42.059 0.015 0.000 1.244 561 L HN 0.744 nan 8.230 nan 0.000 0.435 562 S N 1.601 117.197 115.700 -0.174 0.000 2.806 562 S HA 0.308 4.778 4.470 -0.000 0.000 0.315 562 S C 0.585 174.863 174.600 -0.536 0.000 1.127 562 S CA -0.687 57.366 58.200 -0.245 0.000 0.918 562 S CB 0.584 63.736 63.200 -0.080 0.000 1.240 562 S HN 0.522 nan 8.310 nan 0.000 0.552 563 W N 1.147 121.894 121.300 -0.922 0.000 2.388 563 W HA 0.124 4.783 4.660 -0.000 0.000 0.294 563 W C 2.309 178.737 176.519 -0.153 0.000 1.212 563 W CA 1.695 58.627 57.345 -0.688 0.000 1.271 563 W CB -0.977 28.195 29.460 -0.480 0.000 1.126 563 W HN 0.816 nan 8.180 nan 0.000 0.535 564 A N -0.411 122.332 122.820 -0.127 0.000 1.972 564 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 564 A C 1.932 179.386 177.584 -0.216 0.000 1.169 564 A CA 2.276 54.186 52.037 -0.212 0.000 0.635 564 A CB -1.232 17.742 19.000 -0.044 0.000 0.810 564 A HN 0.278 nan 8.150 nan 0.000 0.446 565 T N -1.190 113.255 114.554 -0.182 0.000 2.720 565 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 565 T C 1.804 176.498 174.700 -0.010 0.000 1.037 565 T CA 1.778 63.753 62.100 -0.210 0.000 1.144 565 T CB -0.440 68.138 68.868 -0.482 0.000 0.864 565 T HN 0.703 nan 8.240 nan 0.000 0.444 566 Y N 1.961 122.288 120.300 0.045 0.000 2.220 566 Y HA 0.056 4.606 4.550 -0.000 0.000 0.291 566 Y C 1.909 177.771 175.900 -0.064 0.000 1.129 566 Y CA 0.800 58.971 58.100 0.120 0.000 1.161 566 Y CB -0.745 37.786 38.460 0.120 0.000 0.997 566 Y HN 0.115 nan 8.280 nan 0.000 0.522 567 L N 0.205 120.958 121.223 -0.784 0.000 2.131 567 L HA -0.191 4.148 4.340 -0.000 0.000 0.210 567 L C 2.744 179.353 176.870 -0.436 0.000 1.092 567 L CA 1.270 55.609 54.840 -0.836 0.000 0.759 567 L CB -0.910 40.692 42.059 -0.761 0.000 0.903 567 L HN 0.414 nan 8.230 nan 0.000 0.435 568 A N -1.232 121.413 122.820 -0.293 0.000 1.878 568 A HA -0.139 4.181 4.320 -0.000 0.000 0.213 568 A C 2.502 180.021 177.584 -0.109 0.000 1.192 568 A CA 1.449 53.376 52.037 -0.184 0.000 0.619 568 A CB -0.530 18.359 19.000 -0.185 0.000 0.837 568 A HN 0.293 nan 8.150 nan 0.000 0.446 569 S N -0.960 114.697 115.700 -0.071 0.000 2.356 569 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 569 S C 1.994 176.623 174.600 0.049 0.000 1.032 569 S CA 2.385 60.600 58.200 0.025 0.000 1.005 569 S CB -0.384 62.885 63.200 0.116 0.000 0.867 569 S HN 0.571 nan 8.310 nan 0.000 0.449 570 T N 1.162 115.728 114.554 0.019 0.000 2.953 570 T HA 0.177 4.527 4.350 -0.000 0.000 0.247 570 T C 1.368 176.055 174.700 -0.022 0.000 1.029 570 T CA 0.524 62.654 62.100 0.051 0.000 1.144 570 T CB -0.125 68.866 68.868 0.206 0.000 0.870 570 T HN 0.296 nan 8.240 nan 0.000 0.446 571 E N 1.341 121.438 120.200 -0.172 0.000 2.489 571 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 571 E C -0.030 176.547 176.600 -0.038 0.000 1.057 571 E CA -0.081 56.249 56.400 -0.117 0.000 0.866 571 E CB -0.397 29.165 29.700 -0.231 0.000 0.916 571 E HN 0.424 nan 8.360 nan 0.000 0.500 572 N N 0.567 119.259 118.700 -0.014 0.000 2.725 572 N HA -0.194 4.545 4.740 -0.000 0.000 0.251 572 N C -0.935 174.643 175.510 0.113 0.000 1.031 572 N CA 0.446 53.553 53.050 0.094 0.000 0.720 572 N CB -1.139 37.456 38.487 0.182 0.000 0.930 572 N HN 0.244 nan 8.380 nan 0.000 0.543 573 I N 0.411 120.968 120.570 -0.021 0.000 2.460 573 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 573 I C 0.537 176.600 176.117 -0.090 0.000 0.989 573 I CA -0.907 60.374 61.300 -0.031 0.000 1.173 573 I CB 1.459 39.444 38.000 -0.025 0.000 1.338 573 I HN -0.005 nan 8.210 nan 0.000 0.456 574 I N 5.847 126.371 120.570 -0.076 0.000 2.342 574 I HA 0.242 4.411 4.170 -0.000 0.000 0.291 574 I C -0.571 175.507 176.117 -0.065 0.000 1.010 574 I CA -0.568 60.649 61.300 -0.137 0.000 1.308 574 I CB 1.364 39.288 38.000 -0.127 0.000 1.400 574 I HN 0.166 nan 8.210 nan 0.000 0.488 575 V N 6.512 126.377 119.914 -0.082 0.000 2.334 575 V HA 0.647 4.767 4.120 -0.000 0.000 0.281 575 V C 0.257 176.356 176.094 0.010 0.000 1.016 575 V CA -0.416 61.886 62.300 0.004 0.000 0.832 575 V CB 1.188 33.011 31.823 -0.000 0.000 0.999 575 V HN 0.841 nan 8.190 nan 0.000 0.439 576 A N 3.945 126.793 122.820 0.047 0.000 2.354 576 A HA 0.968 5.288 4.320 -0.000 0.000 0.321 576 A C -0.221 177.469 177.584 0.177 0.000 1.125 576 A CA -0.537 51.519 52.037 0.031 0.000 0.799 576 A CB 1.886 20.752 19.000 -0.223 0.000 1.293 576 A HN 0.670 nan 8.150 nan 0.000 0.452 577 S N -0.494 115.358 115.700 0.254 0.000 2.569 577 S HA 0.770 5.240 4.470 -0.000 0.000 0.280 577 S C -1.574 173.350 174.600 0.540 0.000 1.111 577 S CA -0.290 58.120 58.200 0.349 0.000 0.887 577 S CB 1.384 64.744 63.200 0.267 0.000 1.095 577 S HN 0.829 nan 8.310 nan 0.000 0.476 578 F N 1.777 121.934 119.950 0.346 0.000 2.574 578 F HA 0.473 4.999 4.527 -0.000 0.000 0.313 578 F C -1.664 174.298 175.800 0.269 0.000 1.130 578 F CA -0.704 57.525 58.000 0.382 0.000 0.936 578 F CB 1.473 40.701 39.000 0.380 0.000 1.219 578 F HN 0.390 nan 8.300 nan 0.000 0.445 579 D N 4.465 124.597 120.400 -0.447 0.000 2.427 579 D HA 0.438 5.077 4.640 -0.000 0.000 0.226 579 D C 0.246 176.061 176.300 -0.808 0.000 1.076 579 D CA 0.126 53.903 54.000 -0.372 0.000 0.849 579 D CB 1.713 42.490 40.800 -0.038 0.000 1.052 579 D HN 0.790 nan 8.370 nan 0.000 0.515 580 G N 1.543 109.938 108.800 -0.675 0.000 3.019 580 G HA2 0.300 4.260 3.960 -0.000 0.000 0.152 580 G HA3 0.300 4.260 3.960 -0.000 0.000 0.152 580 G C 0.003 174.690 174.900 -0.355 0.000 1.320 580 G CA -0.660 43.962 45.100 -0.796 0.000 1.013 580 G HN 0.288 nan 8.290 nan 0.000 0.593 581 R N -0.326 120.017 120.500 -0.261 0.000 2.537 581 R HA 0.396 4.736 4.340 -0.000 0.000 0.280 581 R C 1.122 177.454 176.300 0.053 0.000 1.058 581 R CA 1.395 57.508 56.100 0.022 0.000 1.057 581 R CB 0.640 30.976 30.300 0.059 0.000 0.973 581 R HN 1.022 nan 8.270 nan 0.000 0.438 582 G N 1.281 110.121 108.800 0.066 0.000 2.284 582 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.216 582 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.216 582 G C 0.195 175.061 174.900 -0.058 0.000 1.009 582 G CA 0.066 45.181 45.100 0.024 0.000 0.625 582 G HN 0.718 nan 8.290 nan 0.000 0.501 583 S N 0.538 116.203 115.700 -0.058 0.000 2.587 583 S HA 0.603 5.073 4.470 -0.000 0.000 0.260 583 S C 0.853 175.400 174.600 -0.089 0.000 1.353 583 S CA 0.677 58.827 58.200 -0.083 0.000 0.995 583 S CB 1.573 64.756 63.200 -0.028 0.000 0.912 583 S HN 1.767 nan 8.310 nan 0.000 0.568 584 G N -1.235 107.484 108.800 -0.134 0.000 2.820 584 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 584 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 584 G C -1.064 173.721 174.900 -0.191 0.000 1.323 584 G CA -1.045 43.858 45.100 -0.329 0.000 1.055 584 G HN 0.932 nan 8.290 nan 0.000 0.520 585 Y N -2.245 118.046 120.300 -0.015 0.000 4.668 585 Y HA -0.208 4.342 4.550 -0.000 0.000 0.234 585 Y C 1.347 177.257 175.900 0.017 0.000 1.056 585 Y CA 1.042 59.147 58.100 0.009 0.000 2.025 585 Y CB -2.126 36.361 38.460 0.046 0.000 1.613 585 Y HN 0.531 nan 8.280 nan 0.000 0.653 586 Q N -0.126 119.689 119.800 0.026 0.000 2.086 586 Q HA 0.511 4.850 4.340 -0.000 0.000 0.220 586 Q C 0.808 176.658 176.000 -0.249 0.000 0.792 586 Q CA 0.213 56.034 55.803 0.030 0.000 1.062 586 Q CB 1.732 30.522 28.738 0.087 0.000 1.198 586 Q HN 0.578 nan 8.270 nan 0.000 0.466 587 G N 0.742 109.266 108.800 -0.460 0.000 2.650 587 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 587 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 587 G C -0.554 173.985 174.900 -0.600 0.000 1.205 587 G CA -0.674 43.915 45.100 -0.851 0.000 0.781 587 G HN 0.109 nan 8.290 nan 0.000 0.648 588 D N 0.052 120.060 120.400 -0.653 0.000 2.218 588 D HA -0.075 4.565 4.640 -0.000 0.000 0.204 588 D C 2.258 178.206 176.300 -0.587 0.000 0.976 588 D CA 1.392 54.908 54.000 -0.806 0.000 0.853 588 D CB 0.087 40.392 40.800 -0.825 0.000 0.939 588 D HN 0.606 nan 8.370 nan 0.000 0.481 589 K N 0.687 120.846 120.400 -0.402 0.000 2.001 589 K HA -0.171 4.148 4.320 -0.000 0.000 0.214 589 K C 2.000 178.515 176.600 -0.141 0.000 1.050 589 K CA 1.230 57.382 56.287 -0.224 0.000 0.934 589 K CB -0.297 32.090 32.500 -0.189 0.000 0.718 589 K HN 0.151 nan 8.250 nan 0.000 0.443 590 I N 0.615 121.105 120.570 -0.133 0.000 2.353 590 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 590 I C 2.709 178.821 176.117 -0.009 0.000 1.119 590 I CA 0.824 62.124 61.300 0.000 0.000 1.417 590 I CB -0.099 37.944 38.000 0.072 0.000 1.078 590 I HN 0.372 nan 8.210 nan 0.000 0.421 591 M N 0.173 119.694 119.600 -0.132 0.000 2.099 591 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 591 M C 1.922 178.268 176.300 0.077 0.000 1.067 591 M CA 1.946 57.194 55.300 -0.085 0.000 1.124 591 M CB -0.285 32.171 32.600 -0.240 0.000 1.353 591 M HN 0.242 nan 8.290 nan 0.000 0.410 592 H N -0.461 118.500 119.070 -0.182 0.000 2.553 592 H HA 0.148 4.704 4.556 -0.000 0.000 0.269 592 H C 1.835 177.171 175.328 0.014 0.000 1.011 592 H CA 0.046 55.982 56.048 -0.187 0.000 1.150 592 H CB 0.086 29.628 29.762 -0.367 0.000 1.339 592 H HN 0.532 nan 8.280 nan 0.000 0.604 593 A N 1.621 124.546 122.820 0.174 0.000 1.940 593 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 593 A C 2.100 179.885 177.584 0.334 0.000 1.176 593 A CA 1.219 53.393 52.037 0.228 0.000 0.631 593 A CB -0.612 18.503 19.000 0.191 0.000 0.814 593 A HN 0.589 nan 8.150 nan 0.000 0.446 594 I N -2.810 117.914 120.570 0.256 0.000 3.810 594 I HA 0.137 4.306 4.170 -0.000 0.000 0.322 594 I C 0.402 176.573 176.117 0.090 0.000 1.288 594 I CA -0.405 60.977 61.300 0.137 0.000 1.143 594 I CB -0.734 37.319 38.000 0.088 0.000 1.012 594 I HN 0.241 nan 8.210 nan 0.000 0.423 595 N N 2.934 121.742 118.700 0.180 0.000 2.357 595 N HA -0.076 4.664 4.740 -0.000 0.000 0.257 595 N C 0.202 175.704 175.510 -0.012 0.000 1.250 595 N CA 0.265 53.424 53.050 0.183 0.000 0.862 595 N CB 0.346 38.918 38.487 0.141 0.000 1.066 595 N HN 0.398 nan 8.380 nan 0.000 0.468 596 R N 0.319 120.782 120.500 -0.062 0.000 4.000 596 R HA -0.206 4.134 4.340 -0.000 0.000 0.348 596 R C -0.221 175.922 176.300 -0.262 0.000 1.204 596 R CA 1.581 57.574 56.100 -0.178 0.000 0.987 596 R CB -1.464 28.719 30.300 -0.194 0.000 1.446 596 R HN 0.784 nan 8.270 nan 0.000 0.555 597 R N -0.213 120.174 120.500 -0.188 0.000 2.583 597 R HA 0.261 4.601 4.340 -0.000 0.000 0.282 597 R C -0.459 175.795 176.300 -0.076 0.000 1.288 597 R CA -0.672 55.360 56.100 -0.115 0.000 1.415 597 R CB 0.171 30.346 30.300 -0.207 0.000 1.331 597 R HN -0.036 nan 8.270 nan 0.000 0.719 598 L N 0.897 122.061 121.223 -0.098 0.000 2.483 598 L HA 0.234 4.574 4.340 -0.000 0.000 0.276 598 L C 1.262 178.279 176.870 0.245 0.000 1.213 598 L CA 1.509 56.360 54.840 0.019 0.000 0.843 598 L CB 0.551 42.469 42.059 -0.235 0.000 1.107 598 L HN 0.828 nan 8.230 nan 0.000 0.487 599 G N 0.708 109.734 108.800 0.378 0.000 2.175 599 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 599 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 599 G C 0.583 175.546 174.900 0.106 0.000 0.982 599 G CA 0.611 45.902 45.100 0.320 0.000 0.641 599 G HN 0.785 nan 8.290 nan 0.000 0.527 600 T N -2.563 112.012 114.554 0.035 0.000 3.608 600 T HA 0.436 4.786 4.350 -0.000 0.000 0.213 600 T C 1.807 176.540 174.700 0.055 0.000 0.897 600 T CA 1.213 63.276 62.100 -0.062 0.000 1.533 600 T CB -0.244 68.428 68.868 -0.327 0.000 1.504 600 T HN 0.137 nan 8.240 nan 0.000 0.446 601 F N 3.483 123.481 119.950 0.079 0.000 2.134 601 F HA 0.079 4.605 4.527 -0.000 0.000 0.299 601 F C 2.811 178.648 175.800 0.062 0.000 1.097 601 F CA 1.052 59.081 58.000 0.049 0.000 1.264 601 F CB -0.894 38.113 39.000 0.012 0.000 1.001 601 F HN 0.491 nan 8.300 nan 0.000 0.479 602 E N 0.782 121.136 120.200 0.257 0.000 2.204 602 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 602 E C 2.106 178.817 176.600 0.184 0.000 0.989 602 E CA 1.340 57.855 56.400 0.193 0.000 0.824 602 E CB -1.043 28.763 29.700 0.177 0.000 0.756 602 E HN 0.294 nan 8.360 nan 0.000 0.477 603 V N 1.734 121.741 119.914 0.155 0.000 2.323 603 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 603 V C 2.346 178.503 176.094 0.105 0.000 1.041 603 V CA 2.056 64.409 62.300 0.088 0.000 1.025 603 V CB -0.541 31.286 31.823 0.007 0.000 0.656 603 V HN 0.214 nan 8.190 nan 0.000 0.451 604 E N 0.106 120.390 120.200 0.139 0.000 2.077 604 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 604 E C 1.905 178.587 176.600 0.137 0.000 0.989 604 E CA 1.509 57.996 56.400 0.145 0.000 0.800 604 E CB -0.200 29.622 29.700 0.204 0.000 0.746 604 E HN 0.561 nan 8.360 nan 0.000 0.452 605 D N 0.354 120.857 120.400 0.171 0.000 2.219 605 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 605 D C 1.959 178.319 176.300 0.100 0.000 0.970 605 D CA 0.731 54.825 54.000 0.155 0.000 0.851 605 D CB -0.064 40.867 40.800 0.218 0.000 0.943 605 D HN 0.109 nan 8.370 nan 0.000 0.488 606 Q N 0.059 119.961 119.800 0.170 0.000 2.119 606 Q HA -0.018 4.322 4.340 -0.000 0.000 0.201 606 Q C 2.526 178.605 176.000 0.132 0.000 0.972 606 Q CA 0.483 56.396 55.803 0.184 0.000 0.847 606 Q CB 0.008 28.868 28.738 0.204 0.000 0.903 606 Q HN 0.430 nan 8.270 nan 0.000 0.433 607 I N 0.625 121.277 120.570 0.137 0.000 2.202 607 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 607 I C 2.392 178.496 176.117 -0.021 0.000 1.091 607 I CA 1.184 62.586 61.300 0.170 0.000 1.368 607 I CB -0.226 37.869 38.000 0.158 0.000 1.058 607 I HN 0.134 nan 8.210 nan 0.000 0.410 608 E N 1.627 121.772 120.200 -0.092 0.000 2.106 608 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 608 E C 2.047 178.402 176.600 -0.407 0.000 0.984 608 E CA 1.651 57.931 56.400 -0.200 0.000 0.806 608 E CB -0.158 29.446 29.700 -0.161 0.000 0.750 608 E HN 0.406 nan 8.360 nan 0.000 0.458 609 A N -0.501 121.955 122.820 -0.606 0.000 1.930 609 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 609 A C 2.434 179.356 177.584 -1.103 0.000 1.175 609 A CA 1.927 53.286 52.037 -1.130 0.000 0.627 609 A CB -0.933 16.930 19.000 -1.896 0.000 0.815 609 A HN 0.347 nan 8.150 nan 0.000 0.443 610 T N -0.876 113.397 114.554 -0.468 0.000 2.821 610 T HA -0.110 4.239 4.350 -0.000 0.000 0.267 610 T C 2.044 176.602 174.700 -0.236 0.000 1.046 610 T CA 1.434 63.456 62.100 -0.131 0.000 1.139 610 T CB -0.193 68.703 68.868 0.047 0.000 0.871 610 T HN 0.542 nan 8.240 nan 0.000 0.454 611 R N 0.828 121.155 120.500 -0.287 0.000 2.081 611 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 611 R C 2.479 178.622 176.300 -0.261 0.000 1.131 611 R CA 1.377 57.331 56.100 -0.244 0.000 0.960 611 R CB -0.069 30.109 30.300 -0.203 0.000 0.856 611 R HN 0.473 nan 8.270 nan 0.000 0.436 612 Q N -0.938 118.629 119.800 -0.388 0.000 2.172 612 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 612 Q C 1.793 177.623 176.000 -0.283 0.000 0.964 612 Q CA 1.079 56.664 55.803 -0.363 0.000 0.855 612 Q CB 0.028 28.485 28.738 -0.467 0.000 0.918 612 Q HN 0.293 nan 8.270 nan 0.000 0.444 613 F N 0.902 120.691 119.950 -0.269 0.000 2.146 613 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 613 F C 2.731 178.377 175.800 -0.257 0.000 1.096 613 F CA 1.364 59.203 58.000 -0.267 0.000 1.275 613 F CB -1.070 37.794 39.000 -0.226 0.000 1.008 613 F HN 0.065 nan 8.300 nan 0.000 0.480 614 S N -0.363 115.315 115.700 -0.037 0.000 2.474 614 S HA -0.149 4.320 4.470 -0.000 0.000 0.235 614 S C 1.715 176.231 174.600 -0.139 0.000 0.997 614 S CA 0.831 58.970 58.200 -0.100 0.000 0.949 614 S CB -0.548 62.580 63.200 -0.120 0.000 0.766 614 S HN 0.415 nan 8.310 nan 0.000 0.517 615 K N 0.241 120.552 120.400 -0.148 0.000 2.365 615 K HA 0.251 4.570 4.320 -0.000 0.000 0.197 615 K C 0.214 176.709 176.600 -0.174 0.000 1.042 615 K CA 0.212 56.414 56.287 -0.142 0.000 0.987 615 K CB -0.114 32.310 32.500 -0.125 0.000 0.779 615 K HN 0.469 nan 8.250 nan 0.000 0.484 616 M N 0.888 120.333 119.600 -0.257 0.000 2.251 616 M HA 0.030 4.510 4.480 -0.000 0.000 0.346 616 M C 1.361 177.369 176.300 -0.486 0.000 1.499 616 M CA -0.044 55.021 55.300 -0.391 0.000 1.128 616 M CB 0.992 33.227 32.600 -0.608 0.000 1.809 616 M HN 0.210 nan 8.290 nan 0.000 0.464 617 G N 3.486 112.133 108.800 -0.256 0.000 2.697 617 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.223 617 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.223 617 G C 0.763 175.633 174.900 -0.050 0.000 1.083 617 G CA 0.966 45.989 45.100 -0.128 0.000 0.722 617 G HN 0.849 nan 8.290 nan 0.000 0.604 618 F N -0.427 119.590 119.950 0.112 0.000 2.692 618 F HA 0.633 5.160 4.527 -0.000 0.000 0.303 618 F C -0.063 175.880 175.800 0.238 0.000 1.114 618 F CA -1.584 56.530 58.000 0.190 0.000 1.361 618 F CB -0.297 38.882 39.000 0.298 0.000 1.063 618 F HN -0.126 nan 8.300 nan 0.000 0.550 619 V N 1.252 121.214 119.914 0.080 0.000 2.555 619 V HA 0.228 4.347 4.120 -0.000 0.000 0.302 619 V C -0.800 175.300 176.094 0.011 0.000 1.038 619 V CA -0.856 61.502 62.300 0.096 0.000 0.887 619 V CB 1.757 33.568 31.823 -0.020 0.000 0.991 619 V HN 0.043 nan 8.190 nan 0.000 0.434 620 D N 3.533 123.934 120.400 0.001 0.000 2.422 620 D HA 0.084 4.724 4.640 -0.000 0.000 0.227 620 D C 1.231 177.495 176.300 -0.060 0.000 1.190 620 D CA -0.313 53.659 54.000 -0.047 0.000 0.905 620 D CB 0.885 41.637 40.800 -0.079 0.000 1.034 620 D HN 0.723 nan 8.370 nan 0.000 0.507 621 D N 2.888 123.252 120.400 -0.061 0.000 2.311 621 D HA -0.216 4.423 4.640 -0.000 0.000 0.212 621 D C 0.807 177.075 176.300 -0.052 0.000 0.972 621 D CA 0.661 54.619 54.000 -0.071 0.000 0.887 621 D CB 0.207 40.961 40.800 -0.078 0.000 0.915 621 D HN 0.408 nan 8.370 nan 0.000 0.497 622 K N -0.085 120.294 120.400 -0.036 0.000 2.459 622 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 622 K C 0.595 177.213 176.600 0.030 0.000 1.030 622 K CA 0.097 56.380 56.287 -0.007 0.000 1.026 622 K CB 0.474 32.969 32.500 -0.008 0.000 0.809 622 K HN 0.015 nan 8.250 nan 0.000 0.504 623 R N 1.152 121.654 120.500 0.003 0.000 2.629 623 R HA 0.360 4.700 4.340 -0.000 0.000 0.277 623 R C -1.029 175.306 176.300 0.058 0.000 1.637 623 R CA -0.133 55.995 56.100 0.047 0.000 1.663 623 R CB 0.710 30.900 30.300 -0.183 0.000 1.228 623 R HN -0.019 nan 8.270 nan 0.000 0.632 624 I N 1.101 121.805 120.570 0.224 0.000 2.465 624 I HA 0.641 4.811 4.170 -0.000 0.000 0.291 624 I C -0.253 176.158 176.117 0.490 0.000 1.014 624 I CA -0.853 60.601 61.300 0.256 0.000 1.093 624 I CB 2.088 40.076 38.000 -0.020 0.000 1.267 624 I HN 0.358 nan 8.210 nan 0.000 0.431 625 A N 6.825 130.013 122.820 0.614 0.000 2.515 625 A HA 0.881 5.201 4.320 -0.000 0.000 0.296 625 A C -1.420 176.509 177.584 0.575 0.000 1.094 625 A CA -0.573 51.803 52.037 0.564 0.000 0.718 625 A CB 2.152 21.360 19.000 0.346 0.000 1.307 625 A HN 0.723 nan 8.150 nan 0.000 0.408 626 I N 1.534 122.357 120.570 0.421 0.000 2.647 626 I HA 0.759 4.928 4.170 -0.000 0.000 0.295 626 I C -1.588 174.763 176.117 0.390 0.000 1.078 626 I CA -0.617 60.865 61.300 0.303 0.000 1.048 626 I CB 1.512 39.421 38.000 -0.152 0.000 1.239 626 I HN 0.913 nan 8.210 nan 0.000 0.421 627 W N 7.079 128.497 121.300 0.198 0.000 3.075 627 W HA 0.867 5.527 4.660 -0.000 0.000 0.334 627 W C -1.432 175.213 176.519 0.210 0.000 1.243 627 W CA -1.071 56.393 57.345 0.199 0.000 1.170 627 W CB 1.116 30.737 29.460 0.269 0.000 1.452 627 W HN 0.814 nan 8.180 nan 0.000 0.572 628 G N 0.436 109.153 108.800 -0.138 0.000 2.489 628 G HA2 0.392 4.352 3.960 -0.000 0.000 0.291 628 G HA3 0.392 4.352 3.960 -0.000 0.000 0.291 628 G C -2.710 172.080 174.900 -0.182 0.000 1.487 628 G CA -0.815 44.037 45.100 -0.413 0.000 0.795 628 G HN 0.581 nan 8.290 nan 0.000 0.513 629 W N 1.106 122.223 121.300 -0.305 0.000 2.570 629 W HA 0.565 5.224 4.660 -0.000 0.000 0.337 629 W C 1.017 177.485 176.519 -0.086 0.000 1.067 629 W CA 0.580 57.825 57.345 -0.167 0.000 1.229 629 W CB 1.637 30.974 29.460 -0.205 0.000 1.355 629 W HN 1.001 nan 8.180 nan 0.000 0.555 630 S N 1.682 117.563 115.700 0.302 0.000 4.150 630 S HA -0.433 4.037 4.470 -0.000 0.000 0.551 630 S C 0.944 175.659 174.600 0.192 0.000 1.874 630 S CA 1.942 60.299 58.200 0.261 0.000 4.241 630 S CB -1.575 61.813 63.200 0.315 0.000 0.292 630 S HN 0.735 nan 8.310 nan 0.000 0.469 631 Y N 3.059 123.454 120.300 0.157 0.000 2.224 631 Y HA 0.039 4.589 4.550 -0.000 0.000 0.289 631 Y C 2.438 178.536 175.900 0.330 0.000 1.146 631 Y CA 2.022 60.304 58.100 0.303 0.000 1.182 631 Y CB -0.996 37.763 38.460 0.499 0.000 0.983 631 Y HN 0.499 nan 8.280 nan 0.000 0.524 632 G N -0.947 108.134 108.800 0.468 0.000 2.448 632 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.219 632 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.219 632 G C 1.878 176.873 174.900 0.158 0.000 1.127 632 G CA 0.766 46.050 45.100 0.307 0.000 0.766 632 G HN 0.573 nan 8.290 nan 0.000 0.552 633 G N -0.358 108.520 108.800 0.129 0.000 2.421 633 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 633 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 633 G C 1.574 176.532 174.900 0.096 0.000 1.143 633 G CA 0.981 46.130 45.100 0.082 0.000 0.784 633 G HN 0.421 nan 8.290 nan 0.000 0.541 634 Y N 1.448 121.703 120.300 -0.076 0.000 2.163 634 Y HA -0.059 4.491 4.550 -0.000 0.000 0.288 634 Y C 2.646 178.495 175.900 -0.085 0.000 1.136 634 Y CA 1.338 59.334 58.100 -0.174 0.000 1.147 634 Y CB -0.411 37.789 38.460 -0.433 0.000 0.987 634 Y HN 0.017 nan 8.280 nan 0.000 0.509 635 V N -0.244 119.565 119.914 -0.174 0.000 2.427 635 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 635 V C 2.289 178.293 176.094 -0.151 0.000 1.051 635 V CA 2.323 64.507 62.300 -0.193 0.000 1.048 635 V CB -1.109 30.783 31.823 0.114 0.000 0.666 635 V HN 0.476 nan 8.190 nan 0.000 0.456 636 T N -0.126 114.396 114.554 -0.054 0.000 2.708 636 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 636 T C 2.144 176.797 174.700 -0.078 0.000 1.037 636 T CA 1.945 64.017 62.100 -0.047 0.000 1.146 636 T CB -0.219 68.696 68.868 0.077 0.000 0.865 636 T HN 0.530 nan 8.240 nan 0.000 0.435 637 S N 1.101 116.793 115.700 -0.014 0.000 2.383 637 S HA 0.004 4.474 4.470 -0.000 0.000 0.227 637 S C 2.117 176.661 174.600 -0.092 0.000 1.026 637 S CA 0.841 59.056 58.200 0.025 0.000 0.981 637 S CB -0.248 63.026 63.200 0.123 0.000 0.818 637 S HN 0.294 nan 8.310 nan 0.000 0.472 638 M N 0.970 120.432 119.600 -0.230 0.000 2.117 638 M HA -0.016 4.464 4.480 -0.000 0.000 0.262 638 M C 2.230 178.389 176.300 -0.234 0.000 1.065 638 M CA 1.082 56.226 55.300 -0.260 0.000 1.114 638 M CB -1.423 30.912 32.600 -0.441 0.000 1.361 638 M HN 0.173 nan 8.290 nan 0.000 0.408 639 V N 0.686 120.449 119.914 -0.252 0.000 2.261 639 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 639 V C 2.549 178.453 176.094 -0.317 0.000 1.047 639 V CA 1.431 63.577 62.300 -0.256 0.000 1.015 639 V CB -0.662 30.941 31.823 -0.367 0.000 0.642 639 V HN 0.406 nan 8.190 nan 0.000 0.446 640 L N 0.403 121.369 121.223 -0.429 0.000 2.189 640 L HA -0.140 4.200 4.340 -0.000 0.000 0.214 640 L C 2.233 178.612 176.870 -0.819 0.000 1.097 640 L CA 1.637 56.139 54.840 -0.565 0.000 0.764 640 L CB -0.801 40.853 42.059 -0.676 0.000 0.900 640 L HN 0.515 nan 8.230 nan 0.000 0.436 641 G N -1.539 106.795 108.800 -0.777 0.000 3.042 641 G HA2 0.188 4.147 3.960 -0.000 0.000 0.212 641 G HA3 0.188 4.147 3.960 -0.000 0.000 0.212 641 G C 1.451 176.210 174.900 -0.235 0.000 1.166 641 G CA 0.491 45.239 45.100 -0.587 0.000 0.767 641 G HN 0.389 nan 8.290 nan 0.000 0.546 642 A N -0.020 122.685 122.820 -0.191 0.000 2.123 642 A HA 0.446 4.766 4.320 -0.000 0.000 0.214 642 A C 2.078 179.629 177.584 -0.055 0.000 1.152 642 A CA 1.217 53.203 52.037 -0.085 0.000 0.728 642 A CB -0.387 18.585 19.000 -0.047 0.000 0.814 642 A HN 1.421 nan 8.150 nan 0.000 0.464 643 G N 0.077 108.831 108.800 -0.076 0.000 2.221 643 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.265 643 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.265 643 G C 0.977 175.874 174.900 -0.005 0.000 1.041 643 G CA 1.249 46.325 45.100 -0.039 0.000 0.807 643 G HN 1.444 nan 8.290 nan 0.000 0.502 644 S N -0.967 114.746 115.700 0.022 0.000 2.481 644 S HA 0.325 4.795 4.470 -0.000 0.000 0.231 644 S C 2.464 177.076 174.600 0.019 0.000 0.996 644 S CA 1.406 59.627 58.200 0.036 0.000 0.942 644 S CB -0.107 63.146 63.200 0.088 0.000 0.768 644 S HN 2.365 nan 8.310 nan 0.000 0.520 645 G N 0.296 109.113 108.800 0.028 0.000 2.189 645 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 645 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 645 G C 0.783 175.673 174.900 -0.016 0.000 0.975 645 G CA 0.513 45.619 45.100 0.011 0.000 0.644 645 G HN 0.691 nan 8.290 nan 0.000 0.537 646 V N -0.630 119.260 119.914 -0.040 0.000 2.488 646 V HA 0.258 4.377 4.120 -0.000 0.000 0.246 646 V C 1.229 177.100 176.094 -0.371 0.000 1.046 646 V CA 1.497 63.645 62.300 -0.253 0.000 1.053 646 V CB -0.366 31.188 31.823 -0.448 0.000 0.679 646 V HN 0.298 nan 8.190 nan 0.000 0.458 647 F N -0.126 119.842 119.950 0.030 0.000 2.421 647 F HA 0.425 4.952 4.527 -0.000 0.000 0.337 647 F C 1.077 176.919 175.800 0.069 0.000 1.105 647 F CA -0.631 57.410 58.000 0.069 0.000 1.049 647 F CB 1.451 40.495 39.000 0.073 0.000 1.139 647 F HN -0.261 nan 8.300 nan 0.000 0.479 648 K N 1.351 121.913 120.400 0.271 0.000 2.128 648 K HA 0.134 4.454 4.320 -0.000 0.000 0.202 648 K C -0.101 176.620 176.600 0.202 0.000 1.050 648 K CA 0.858 57.262 56.287 0.195 0.000 0.966 648 K CB 0.288 32.898 32.500 0.185 0.000 0.759 648 K HN 0.804 nan 8.250 nan 0.000 0.454 649 c N -2.414 116.338 118.600 0.255 0.000 3.291 649 c HA 0.916 5.486 4.570 -0.000 0.000 0.316 649 c C -0.190 174.108 174.090 0.347 0.000 1.391 649 c CA -0.651 55.845 56.329 0.278 0.000 1.394 649 c CB 1.102 43.704 42.510 0.153 0.000 1.744 649 c HN 0.360 nan 8.230 nan 0.000 0.461 650 G N 0.009 109.075 108.800 0.443 0.000 2.673 650 G HA2 0.708 4.668 3.960 -0.000 0.000 0.292 650 G HA3 0.708 4.668 3.960 -0.000 0.000 0.292 650 G C -1.975 173.148 174.900 0.372 0.000 1.450 650 G CA -0.671 44.664 45.100 0.392 0.000 0.837 650 G HN 0.971 nan 8.290 nan 0.000 0.505 651 I N 0.729 121.479 120.570 0.301 0.000 2.466 651 I HA 0.635 4.805 4.170 -0.000 0.000 0.289 651 I C 0.144 176.367 176.117 0.177 0.000 1.026 651 I CA -0.968 60.390 61.300 0.097 0.000 1.078 651 I CB 2.301 40.330 38.000 0.047 0.000 1.249 651 I HN 0.659 nan 8.210 nan 0.000 0.429 652 A N 6.344 129.171 122.820 0.012 0.000 2.304 652 A HA 0.795 5.115 4.320 -0.000 0.000 0.314 652 A C -0.842 176.662 177.584 -0.134 0.000 1.187 652 A CA -0.521 51.534 52.037 0.031 0.000 0.810 652 A CB 1.235 20.330 19.000 0.158 0.000 1.183 652 A HN 0.433 nan 8.150 nan 0.000 0.487 653 V N 2.070 121.846 119.914 -0.230 0.000 2.384 653 V HA 0.573 4.693 4.120 -0.000 0.000 0.287 653 V C 0.941 176.735 176.094 -0.499 0.000 1.020 653 V CA 0.287 62.279 62.300 -0.514 0.000 0.850 653 V CB 0.828 32.009 31.823 -1.070 0.000 0.987 653 V HN 2.116 nan 8.190 nan 0.000 0.436 654 A N 5.607 128.128 122.820 -0.498 0.000 2.415 654 A HA -0.108 4.212 4.320 -0.000 0.000 0.292 654 A C -1.723 175.753 177.584 -0.179 0.000 1.452 654 A CA 0.544 52.204 52.037 -0.628 0.000 0.750 654 A CB -1.521 17.263 19.000 -0.361 0.000 1.099 654 A HN 0.622 nan 8.150 nan 0.000 0.391 655 P HA 0.474 nan 4.420 nan 0.000 0.279 655 P C 0.072 177.346 177.300 -0.044 0.000 1.252 655 P CA -0.350 62.743 63.100 -0.011 0.000 0.811 655 P CB 1.440 33.163 31.700 0.038 0.000 1.035 656 V N 1.804 121.601 119.914 -0.195 0.000 2.649 656 V HA 0.130 4.250 4.120 -0.000 0.000 0.292 656 V C 1.649 177.550 176.094 -0.321 0.000 1.055 656 V CA 0.809 62.848 62.300 -0.435 0.000 1.023 656 V CB 0.936 32.117 31.823 -1.070 0.000 0.992 656 V HN 0.852 nan 8.190 nan 0.000 0.480 657 S N 2.706 118.252 115.700 -0.258 0.000 2.619 657 S HA 0.297 4.767 4.470 -0.000 0.000 0.238 657 S C 0.321 174.783 174.600 -0.231 0.000 1.068 657 S CA -0.246 57.880 58.200 -0.124 0.000 0.926 657 S CB 0.288 63.479 63.200 -0.016 0.000 0.864 657 S HN 0.629 nan 8.310 nan 0.000 0.493 658 K N -0.311 119.865 120.400 -0.372 0.000 2.581 658 K HA 0.317 4.637 4.320 -0.000 0.000 0.249 658 K C -1.034 175.299 176.600 -0.447 0.000 0.966 658 K CA -0.690 55.321 56.287 -0.460 0.000 0.811 658 K CB 0.776 32.858 32.500 -0.697 0.000 1.223 658 K HN 0.184 nan 8.250 nan 0.000 0.438 659 W N 2.222 123.451 121.300 -0.118 0.000 2.387 659 W HA -0.102 4.558 4.660 -0.000 0.000 0.272 659 W C 1.113 177.755 176.519 0.204 0.000 1.224 659 W CA 0.636 57.999 57.345 0.029 0.000 1.210 659 W CB 0.317 29.750 29.460 -0.046 0.000 1.125 659 W HN 0.722 nan 8.180 nan 0.000 0.572 660 E N -1.139 119.215 120.200 0.257 0.000 2.478 660 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 660 E C 1.117 177.847 176.600 0.216 0.000 1.046 660 E CA 0.635 57.139 56.400 0.173 0.000 0.870 660 E CB -0.164 29.519 29.700 -0.028 0.000 0.818 660 E HN 0.386 nan 8.360 nan 0.000 0.527 661 Y N -1.430 118.966 120.300 0.161 0.000 2.510 661 Y HA 0.068 4.618 4.550 -0.000 0.000 0.273 661 Y C 0.762 176.745 175.900 0.139 0.000 1.119 661 Y CA -0.391 57.763 58.100 0.090 0.000 1.286 661 Y CB -0.333 38.125 38.460 -0.004 0.000 1.061 661 Y HN 0.012 nan 8.280 nan 0.000 0.542 662 Y N 2.175 122.627 120.300 0.253 0.000 2.295 662 Y HA 0.247 4.797 4.550 -0.000 0.000 0.331 662 Y C 0.429 176.544 175.900 0.357 0.000 1.311 662 Y CA -1.867 56.390 58.100 0.262 0.000 1.430 662 Y CB 0.263 38.933 38.460 0.349 0.000 1.339 662 Y HN 0.210 nan 8.280 nan 0.000 0.552 663 D N -0.532 119.635 120.400 -0.388 0.000 2.382 663 D HA 0.072 4.712 4.640 -0.000 0.000 0.240 663 D C 0.998 177.299 176.300 0.000 0.000 1.146 663 D CA 0.402 54.234 54.000 -0.281 0.000 0.897 663 D CB 0.835 41.248 40.800 -0.645 0.000 1.197 663 D HN 0.480 nan 8.370 nan 0.000 0.432 664 S N 1.254 116.959 115.700 0.009 0.000 2.359 664 S HA -0.236 4.233 4.470 -0.000 0.000 0.224 664 S C 1.880 176.526 174.600 0.075 0.000 1.035 664 S CA 1.251 59.502 58.200 0.086 0.000 1.018 664 S CB -0.995 62.257 63.200 0.087 0.000 0.876 664 S HN 0.434 nan 8.310 nan 0.000 0.448 665 V N 0.814 120.719 119.914 -0.015 0.000 2.255 665 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 665 V C 2.320 178.379 176.094 -0.059 0.000 1.051 665 V CA 2.253 64.481 62.300 -0.120 0.000 1.018 665 V CB -1.116 30.471 31.823 -0.393 0.000 0.641 665 V HN 0.618 nan 8.190 nan 0.000 0.445 666 Y N 1.263 121.540 120.300 -0.039 0.000 2.133 666 Y HA -0.218 4.332 4.550 -0.000 0.000 0.287 666 Y C 2.712 178.664 175.900 0.086 0.000 1.134 666 Y CA 2.289 60.446 58.100 0.095 0.000 1.133 666 Y CB -0.565 38.133 38.460 0.397 0.000 0.987 666 Y HN 0.225 nan 8.280 nan 0.000 0.502 667 T N 0.327 115.113 114.554 0.387 0.000 2.674 667 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 667 T C 1.597 176.275 174.700 -0.037 0.000 1.039 667 T CA 1.944 64.182 62.100 0.231 0.000 1.150 667 T CB -0.347 68.804 68.868 0.471 0.000 0.864 667 T HN 0.420 nan 8.240 nan 0.000 0.427 668 E N 0.505 120.717 120.200 0.020 0.000 2.204 668 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 668 E C 2.339 178.820 176.600 -0.198 0.000 0.990 668 E CA 0.594 56.985 56.400 -0.015 0.000 0.821 668 E CB -0.129 29.605 29.700 0.057 0.000 0.750 668 E HN 0.326 nan 8.360 nan 0.000 0.477 669 R N -0.048 120.197 120.500 -0.425 0.000 2.105 669 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 669 R C 1.174 176.922 176.300 -0.921 0.000 1.135 669 R CA 1.601 57.259 56.100 -0.736 0.000 0.967 669 R CB 0.003 29.598 30.300 -1.175 0.000 0.861 669 R HN 0.243 nan 8.270 nan 0.000 0.442 670 Y N -2.368 117.614 120.300 -0.531 0.000 2.498 670 Y HA 0.241 4.791 4.550 -0.000 0.000 0.259 670 Y C 1.642 177.327 175.900 -0.358 0.000 1.086 670 Y CA -0.061 57.713 58.100 -0.543 0.000 1.287 670 Y CB 0.471 38.468 38.460 -0.771 0.000 1.146 670 Y HN -0.042 nan 8.280 nan 0.000 0.523 671 M N -0.341 119.118 119.600 -0.235 0.000 2.308 671 M HA 0.375 4.854 4.480 -0.000 0.000 0.269 671 M C 1.009 177.285 176.300 -0.040 0.000 1.040 671 M CA 0.763 55.910 55.300 -0.255 0.000 1.024 671 M CB -0.283 31.958 32.600 -0.598 0.000 1.465 671 M HN 0.325 nan 8.290 nan 0.000 0.517 672 G N 1.871 110.677 108.800 0.010 0.000 2.698 672 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.233 672 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.233 672 G C -0.520 174.505 174.900 0.209 0.000 1.352 672 G CA -0.777 44.372 45.100 0.082 0.000 0.879 672 G HN 0.354 nan 8.290 nan 0.000 0.567 673 L N 1.785 123.098 121.223 0.149 0.000 2.350 673 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 673 L C -1.289 175.593 176.870 0.019 0.000 1.099 673 L CA -1.690 53.203 54.840 0.089 0.000 0.808 673 L CB 1.677 43.751 42.059 0.025 0.000 1.149 673 L HN 0.458 nan 8.230 nan 0.000 0.442 674 P HA 0.052 nan 4.420 nan 0.000 0.220 674 P C -0.435 176.710 177.300 -0.258 0.000 1.778 674 P CA -0.121 62.566 63.100 -0.689 0.000 0.912 674 P CB -0.467 30.460 31.700 -1.288 0.000 1.861 675 T N -3.150 111.346 114.554 -0.097 0.000 2.912 675 T HA 0.426 4.776 4.350 -0.000 0.000 0.288 675 T C -1.852 172.847 174.700 -0.001 0.000 1.030 675 T CA -2.488 59.585 62.100 -0.045 0.000 1.020 675 T CB 1.888 70.740 68.868 -0.026 0.000 1.056 675 T HN -0.198 nan 8.240 nan 0.000 0.480 676 P HA -0.089 nan 4.420 nan 0.000 0.223 676 P C 0.660 177.978 177.300 0.030 0.000 1.144 676 P CA 1.061 64.175 63.100 0.023 0.000 0.783 676 P CB 0.209 31.918 31.700 0.015 0.000 0.771 677 E N -0.798 119.415 120.200 0.020 0.000 2.216 677 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 677 E C 1.594 178.212 176.600 0.030 0.000 0.988 677 E CA 0.741 57.153 56.400 0.021 0.000 0.834 677 E CB -0.331 29.375 29.700 0.011 0.000 0.772 677 E HN 0.286 nan 8.360 nan 0.000 0.479 678 D N -0.488 119.936 120.400 0.039 0.000 2.910 678 D HA 0.098 4.738 4.640 -0.000 0.000 0.241 678 D C 0.341 176.696 176.300 0.090 0.000 1.346 678 D CA 0.064 54.097 54.000 0.054 0.000 1.227 678 D CB -0.026 40.808 40.800 0.056 0.000 0.926 678 D HN -0.028 nan 8.370 nan 0.000 0.212 679 N N 0.249 119.040 118.700 0.152 0.000 2.282 679 N HA 0.025 4.764 4.740 -0.000 0.000 0.240 679 N C 1.440 177.172 175.510 0.371 0.000 1.182 679 N CA -0.170 53.021 53.050 0.235 0.000 0.874 679 N CB 0.674 39.288 38.487 0.213 0.000 1.126 679 N HN 0.013 nan 8.380 nan 0.000 0.516 680 L N 1.398 122.759 121.223 0.230 0.000 2.051 680 L HA -0.238 4.102 4.340 -0.000 0.000 0.214 680 L C 1.442 178.452 176.870 0.233 0.000 1.076 680 L CA 2.003 56.951 54.840 0.181 0.000 0.758 680 L CB -0.531 41.560 42.059 0.054 0.000 0.890 680 L HN 0.187 nan 8.230 nan 0.000 0.433 681 D N -1.307 119.215 120.400 0.203 0.000 2.133 681 D HA -0.250 4.390 4.640 -0.000 0.000 0.195 681 D C 2.023 178.385 176.300 0.103 0.000 0.997 681 D CA 1.793 55.876 54.000 0.139 0.000 0.840 681 D CB -0.312 40.568 40.800 0.133 0.000 0.947 681 D HN 0.475 nan 8.370 nan 0.000 0.452 682 Y N -0.950 119.409 120.300 0.098 0.000 2.544 682 Y HA -0.035 4.515 4.550 -0.000 0.000 0.286 682 Y C 1.845 177.787 175.900 0.069 0.000 1.141 682 Y CA 0.191 58.321 58.100 0.049 0.000 1.299 682 Y CB -0.248 38.201 38.460 -0.018 0.000 1.030 682 Y HN 0.050 nan 8.280 nan 0.000 0.543 683 Y N -0.530 119.869 120.300 0.166 0.000 2.243 683 Y HA -0.105 4.445 4.550 -0.000 0.000 0.293 683 Y C 2.390 178.347 175.900 0.094 0.000 1.124 683 Y CA 1.233 59.420 58.100 0.146 0.000 1.159 683 Y CB -0.072 38.453 38.460 0.108 0.000 1.008 683 Y HN -0.129 nan 8.280 nan 0.000 0.527 684 R N 0.347 120.979 120.500 0.219 0.000 2.092 684 R HA -0.120 4.219 4.340 -0.000 0.000 0.231 684 R C 1.447 177.777 176.300 0.049 0.000 1.119 684 R CA 1.400 57.560 56.100 0.099 0.000 0.970 684 R CB -0.353 29.982 30.300 0.058 0.000 0.864 684 R HN 0.380 nan 8.270 nan 0.000 0.440 685 N N 0.153 118.860 118.700 0.012 0.000 2.313 685 N HA -0.046 4.694 4.740 -0.000 0.000 0.207 685 N C 0.230 175.748 175.510 0.014 0.000 1.141 685 N CA 0.555 53.589 53.050 -0.027 0.000 0.830 685 N CB 0.584 39.001 38.487 -0.118 0.000 1.008 685 N HN 0.072 nan 8.380 nan 0.000 0.481 686 S N -1.525 114.231 115.700 0.094 0.000 2.629 686 S HA 0.063 4.533 4.470 -0.000 0.000 0.236 686 S C 0.623 175.360 174.600 0.229 0.000 1.010 686 S CA -0.349 57.967 58.200 0.192 0.000 0.981 686 S CB -0.529 62.847 63.200 0.293 0.000 0.919 686 S HN 0.343 nan 8.310 nan 0.000 0.514 687 T N -0.600 114.023 114.554 0.115 0.000 2.899 687 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 687 T C 1.315 176.054 174.700 0.066 0.000 1.033 687 T CA -0.452 61.680 62.100 0.053 0.000 1.084 687 T CB 1.201 70.058 68.868 -0.019 0.000 0.979 687 T HN -0.042 nan 8.240 nan 0.000 0.532 688 V N 2.031 121.975 119.914 0.051 0.000 2.548 688 V HA -0.104 4.016 4.120 -0.000 0.000 0.249 688 V C 2.607 178.682 176.094 -0.030 0.000 1.055 688 V CA 1.487 63.800 62.300 0.021 0.000 1.065 688 V CB -0.948 30.877 31.823 0.003 0.000 0.681 688 V HN 0.820 nan 8.190 nan 0.000 0.462 689 M N 1.250 120.815 119.600 -0.059 0.000 2.106 689 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 689 M C 2.369 178.642 176.300 -0.045 0.000 1.068 689 M CA 2.266 57.517 55.300 -0.082 0.000 1.100 689 M CB -1.077 31.486 32.600 -0.061 0.000 1.351 689 M HN 0.520 nan 8.290 nan 0.000 0.404 690 S N -0.192 115.498 115.700 -0.016 0.000 2.493 690 S HA -0.118 4.352 4.470 -0.000 0.000 0.243 690 S C 1.634 176.241 174.600 0.012 0.000 0.991 690 S CA 0.867 59.065 58.200 -0.003 0.000 0.957 690 S CB -0.526 62.675 63.200 0.001 0.000 0.756 690 S HN 0.568 nan 8.310 nan 0.000 0.521 691 R N 0.049 120.570 120.500 0.035 0.000 2.546 691 R HA 0.472 4.812 4.340 -0.000 0.000 0.320 691 R C 1.988 178.391 176.300 0.171 0.000 1.021 691 R CA 0.401 56.549 56.100 0.081 0.000 1.088 691 R CB -0.032 30.319 30.300 0.084 0.000 1.278 691 R HN 0.434 nan 8.270 nan 0.000 0.557 692 A N 1.576 124.435 122.820 0.066 0.000 1.892 692 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 692 A C 1.994 179.651 177.584 0.121 0.000 1.188 692 A CA 1.834 53.875 52.037 0.006 0.000 0.631 692 A CB -0.236 18.697 19.000 -0.111 0.000 0.822 692 A HN 0.236 nan 8.150 nan 0.000 0.447 693 E N 0.377 120.624 120.200 0.079 0.000 2.097 693 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 693 E C 1.705 178.364 176.600 0.099 0.000 1.000 693 E CA 1.882 58.327 56.400 0.074 0.000 0.804 693 E CB -0.512 29.214 29.700 0.043 0.000 0.740 693 E HN 0.799 nan 8.360 nan 0.000 0.454 694 N N -1.198 117.559 118.700 0.096 0.000 2.443 694 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 694 N C 0.940 176.441 175.510 -0.015 0.000 1.037 694 N CA 0.352 53.413 53.050 0.019 0.000 0.896 694 N CB -0.156 38.296 38.487 -0.058 0.000 0.959 694 N HN 0.141 nan 8.380 nan 0.000 0.442 695 F N 1.536 121.442 119.950 -0.073 0.000 2.546 695 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 695 F C 1.872 177.676 175.800 0.008 0.000 1.120 695 F CA 0.736 58.691 58.000 -0.076 0.000 1.456 695 F CB -0.044 38.858 39.000 -0.162 0.000 1.088 695 F HN -0.078 nan 8.300 nan 0.000 0.572 696 K N -0.049 120.451 120.400 0.166 0.000 2.360 696 K HA -0.186 4.134 4.320 -0.000 0.000 0.201 696 K C 1.476 178.135 176.600 0.098 0.000 1.046 696 K CA 1.085 57.451 56.287 0.131 0.000 0.945 696 K CB -0.250 32.308 32.500 0.096 0.000 0.750 696 K HN 0.415 nan 8.250 nan 0.000 0.464 697 Q N 0.342 120.179 119.800 0.061 0.000 2.403 697 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 697 Q C 0.281 176.315 176.000 0.056 0.000 0.932 697 Q CA 0.017 55.846 55.803 0.044 0.000 0.945 697 Q CB 0.623 29.369 28.738 0.013 0.000 1.045 697 Q HN 0.147 nan 8.270 nan 0.000 0.511 698 V N -3.774 116.188 119.914 0.079 0.000 3.181 698 V HA 0.470 4.590 4.120 -0.000 0.000 0.308 698 V C -1.304 174.920 176.094 0.217 0.000 1.214 698 V CA -1.316 61.055 62.300 0.118 0.000 1.053 698 V CB 2.325 34.183 31.823 0.059 0.000 1.069 698 V HN -0.070 nan 8.190 nan 0.000 0.441 699 E N 1.301 121.656 120.200 0.258 0.000 2.115 699 E HA 0.434 4.784 4.350 -0.000 0.000 0.282 699 E C -1.904 175.054 176.600 0.597 0.000 0.987 699 E CA -0.363 56.259 56.400 0.370 0.000 0.797 699 E CB 1.623 31.456 29.700 0.221 0.000 1.086 699 E HN 0.661 nan 8.360 nan 0.000 0.397 700 Y N 3.591 124.155 120.300 0.441 0.000 2.393 700 Y HA 0.420 4.970 4.550 -0.000 0.000 0.341 700 Y C -1.380 174.635 175.900 0.192 0.000 0.988 700 Y CA -1.200 57.117 58.100 0.363 0.000 1.078 700 Y CB 0.923 39.641 38.460 0.430 0.000 1.203 700 Y HN 0.425 nan 8.280 nan 0.000 0.453 701 L N 8.091 129.043 121.223 -0.453 0.000 2.342 701 L HA 0.475 4.815 4.340 -0.000 0.000 0.276 701 L C -1.654 174.762 176.870 -0.756 0.000 0.997 701 L CA -0.705 53.701 54.840 -0.724 0.000 0.838 701 L CB 1.009 42.307 42.059 -1.268 0.000 1.224 701 L HN 0.656 nan 8.230 nan 0.000 0.416 702 L N 6.252 127.116 121.223 -0.600 0.000 2.287 702 L HA 0.575 4.915 4.340 -0.000 0.000 0.287 702 L C -0.779 175.976 176.870 -0.191 0.000 1.022 702 L CA -0.453 54.126 54.840 -0.436 0.000 0.814 702 L CB 1.568 43.462 42.059 -0.275 0.000 1.217 702 L HN 0.596 nan 8.230 nan 0.000 0.420 703 I N 3.826 124.304 120.570 -0.153 0.000 2.608 703 I HA 0.504 4.673 4.170 -0.000 0.000 0.295 703 I C -0.846 175.293 176.117 0.036 0.000 1.049 703 I CA -0.756 60.511 61.300 -0.054 0.000 1.063 703 I CB 2.055 39.984 38.000 -0.118 0.000 1.248 703 I HN 0.517 nan 8.210 nan 0.000 0.424 704 H N 2.568 121.715 119.070 0.128 0.000 3.123 704 H HA 0.361 4.917 4.556 -0.000 0.000 0.346 704 H C -0.843 174.711 175.328 0.378 0.000 1.138 704 H CA -0.587 55.590 56.048 0.215 0.000 1.273 704 H CB 2.405 32.266 29.762 0.166 0.000 1.926 704 H HN 0.759 nan 8.280 nan 0.000 0.524 705 G N 1.142 110.292 108.800 0.582 0.000 2.370 705 G HA2 0.234 4.194 3.960 -0.000 0.000 0.272 705 G HA3 0.234 4.194 3.960 -0.000 0.000 0.272 705 G C 1.094 176.255 174.900 0.435 0.000 1.208 705 G CA 0.184 45.564 45.100 0.466 0.000 0.856 705 G HN 0.642 nan 8.290 nan 0.000 0.500 706 T N -0.559 114.101 114.554 0.178 0.000 3.007 706 T HA 0.070 4.420 4.350 -0.000 0.000 0.270 706 T C 1.705 176.342 174.700 -0.106 0.000 1.107 706 T CA 1.210 63.218 62.100 -0.154 0.000 1.118 706 T CB 0.190 68.870 68.868 -0.313 0.000 0.889 706 T HN 0.644 nan 8.240 nan 0.000 0.506 707 A N 0.884 123.719 122.820 0.025 0.000 2.545 707 A HA 0.284 4.604 4.320 -0.000 0.000 0.277 707 A C 0.503 177.989 177.584 -0.164 0.000 1.301 707 A CA -0.496 51.505 52.037 -0.059 0.000 0.935 707 A CB -0.208 19.027 19.000 0.392 0.000 1.093 707 A HN 0.393 nan 8.150 nan 0.000 0.519 708 D N 1.583 121.947 120.400 -0.061 0.000 2.363 708 D HA -0.026 4.614 4.640 -0.000 0.000 0.263 708 D C 0.293 176.541 176.300 -0.087 0.000 1.258 708 D CA 0.266 54.334 54.000 0.114 0.000 0.907 708 D CB 0.697 41.737 40.800 0.400 0.000 1.107 708 D HN 0.558 nan 8.370 nan 0.000 0.495 709 D N 2.576 122.983 120.400 0.012 0.000 2.323 709 D HA -0.140 4.500 4.640 -0.000 0.000 0.209 709 D C 0.977 177.239 176.300 -0.064 0.000 0.973 709 D CA -0.014 53.934 54.000 -0.086 0.000 0.874 709 D CB 0.373 41.083 40.800 -0.150 0.000 0.930 709 D HN 0.247 nan 8.370 nan 0.000 0.521 710 N N 0.897 119.656 118.700 0.100 0.000 2.335 710 N HA -0.052 4.688 4.740 -0.000 0.000 0.197 710 N C 0.010 175.467 175.510 -0.088 0.000 1.045 710 N CA 0.548 53.665 53.050 0.112 0.000 0.928 710 N CB 0.442 38.912 38.487 -0.029 0.000 1.118 710 N HN -0.099 nan 8.380 nan 0.000 0.471 711 V N 3.243 123.111 119.914 -0.077 0.000 2.284 711 V HA 0.194 4.314 4.120 -0.000 0.000 0.260 711 V C -0.413 175.767 176.094 0.144 0.000 1.084 711 V CA -0.396 61.923 62.300 0.031 0.000 0.894 711 V CB -0.639 31.232 31.823 0.080 0.000 1.119 711 V HN 0.286 nan 8.190 nan 0.000 0.484 712 H N 2.958 121.987 119.070 -0.069 0.000 3.016 712 H HA -0.077 4.479 4.556 -0.000 0.000 0.345 712 H C 0.872 176.047 175.328 -0.256 0.000 1.066 712 H CA 0.015 55.949 56.048 -0.190 0.000 1.390 712 H CB 0.762 30.322 29.762 -0.338 0.000 1.344 712 H HN 0.613 nan 8.280 nan 0.000 0.605 713 F N 2.056 121.785 119.950 -0.368 0.000 2.236 713 F HA -0.285 4.242 4.527 -0.000 0.000 0.302 713 F C 2.567 178.088 175.800 -0.466 0.000 1.073 713 F CA 1.712 59.291 58.000 -0.703 0.000 1.336 713 F CB -0.222 38.539 39.000 -0.399 0.000 1.040 713 F HN 0.655 nan 8.300 nan 0.000 0.507 714 Q N 0.189 119.833 119.800 -0.261 0.000 2.096 714 Q HA -0.316 4.023 4.340 -0.000 0.000 0.208 714 Q C 2.119 177.854 176.000 -0.442 0.000 0.993 714 Q CA 2.316 57.914 55.803 -0.343 0.000 0.862 714 Q CB -0.378 28.133 28.738 -0.379 0.000 0.915 714 Q HN 0.565 nan 8.270 nan 0.000 0.416 715 Q N -0.255 119.329 119.800 -0.360 0.000 2.077 715 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 715 Q C 2.262 178.152 176.000 -0.184 0.000 0.989 715 Q CA 1.897 57.603 55.803 -0.161 0.000 0.853 715 Q CB -0.194 28.534 28.738 -0.017 0.000 0.907 715 Q HN 0.347 nan 8.270 nan 0.000 0.418 716 S N 0.296 115.781 115.700 -0.357 0.000 2.414 716 S HA 0.026 4.496 4.470 -0.000 0.000 0.227 716 S C 1.975 176.327 174.600 -0.414 0.000 1.022 716 S CA 0.649 58.651 58.200 -0.329 0.000 0.958 716 S CB -0.022 62.977 63.200 -0.335 0.000 0.797 716 S HN 0.464 nan 8.310 nan 0.000 0.493 717 A N 1.417 123.870 122.820 -0.612 0.000 1.902 717 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 717 A C 2.131 179.606 177.584 -0.181 0.000 1.181 717 A CA 1.093 52.904 52.037 -0.378 0.000 0.623 717 A CB -0.433 18.394 19.000 -0.289 0.000 0.818 717 A HN 0.341 nan 8.150 nan 0.000 0.443 718 Q N -0.987 118.711 119.800 -0.171 0.000 2.123 718 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 718 Q C 2.090 178.054 176.000 -0.059 0.000 0.966 718 Q CA 1.245 57.011 55.803 -0.063 0.000 0.845 718 Q CB -0.491 28.270 28.738 0.038 0.000 0.907 718 Q HN 0.605 nan 8.270 nan 0.000 0.439 719 L N 1.079 122.246 121.223 -0.094 0.000 2.027 719 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 719 L C 2.335 179.077 176.870 -0.213 0.000 1.074 719 L CA 2.377 57.132 54.840 -0.142 0.000 0.745 719 L CB -1.012 40.971 42.059 -0.127 0.000 0.898 719 L HN 0.208 nan 8.230 nan 0.000 0.433 720 S N -0.809 114.799 115.700 -0.152 0.000 2.382 720 S HA -0.284 4.186 4.470 -0.000 0.000 0.228 720 S C 2.140 176.729 174.600 -0.019 0.000 1.027 720 S CA 1.392 59.538 58.200 -0.091 0.000 0.991 720 S CB -0.696 62.624 63.200 0.199 0.000 0.823 720 S HN 0.583 nan 8.310 nan 0.000 0.469 721 K N 1.595 121.984 120.400 -0.019 0.000 2.148 721 K HA 0.088 4.408 4.320 -0.000 0.000 0.204 721 K C 2.183 178.765 176.600 -0.030 0.000 1.050 721 K CA 1.050 57.339 56.287 0.004 0.000 0.942 721 K CB -0.602 31.897 32.500 -0.003 0.000 0.724 721 K HN 0.458 nan 8.250 nan 0.000 0.446 722 A N 0.853 123.622 122.820 -0.085 0.000 1.968 722 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 722 A C 2.003 179.504 177.584 -0.139 0.000 1.169 722 A CA 0.935 52.913 52.037 -0.099 0.000 0.638 722 A CB -0.400 18.529 19.000 -0.119 0.000 0.812 722 A HN 0.300 nan 8.150 nan 0.000 0.446 723 L N -0.806 120.268 121.223 -0.248 0.000 2.109 723 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 723 L C 2.463 179.304 176.870 -0.048 0.000 1.086 723 L CA 0.716 55.370 54.840 -0.309 0.000 0.760 723 L CB -0.491 41.068 42.059 -0.834 0.000 0.910 723 L HN 0.219 nan 8.230 nan 0.000 0.437 724 V N -0.088 119.864 119.914 0.063 0.000 2.343 724 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 724 V C 2.010 178.147 176.094 0.072 0.000 1.051 724 V CA 1.839 64.229 62.300 0.149 0.000 1.036 724 V CB -0.458 31.460 31.823 0.158 0.000 0.654 724 V HN 0.431 nan 8.190 nan 0.000 0.451 725 D N 0.433 120.852 120.400 0.031 0.000 2.219 725 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 725 D C 1.959 178.269 176.300 0.018 0.000 0.970 725 D CA 1.442 55.455 54.000 0.021 0.000 0.851 725 D CB -0.123 40.680 40.800 0.006 0.000 0.943 725 D HN 0.481 nan 8.370 nan 0.000 0.488 726 A N -0.275 122.551 122.820 0.009 0.000 2.251 726 A HA 0.415 4.735 4.320 -0.000 0.000 0.209 726 A C 1.693 179.301 177.584 0.039 0.000 1.187 726 A CA 0.879 52.925 52.037 0.014 0.000 0.823 726 A CB -0.144 18.851 19.000 -0.008 0.000 0.846 726 A HN 0.207 nan 8.150 nan 0.000 0.486 727 G N -0.972 107.863 108.800 0.059 0.000 2.176 727 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.252 727 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.252 727 G C 0.041 175.005 174.900 0.107 0.000 1.024 727 G CA 0.212 45.359 45.100 0.078 0.000 0.755 727 G HN 0.778 nan 8.290 nan 0.000 0.507 728 V N 0.429 120.421 119.914 0.130 0.000 2.465 728 V HA 0.504 4.623 4.120 -0.000 0.000 0.279 728 V C 0.360 176.655 176.094 0.336 0.000 1.045 728 V CA -0.462 61.946 62.300 0.181 0.000 0.938 728 V CB 1.782 33.673 31.823 0.112 0.000 0.986 728 V HN 0.385 nan 8.190 nan 0.000 0.467 729 D N 3.961 124.547 120.400 0.309 0.000 2.210 729 D HA 0.639 5.278 4.640 -0.000 0.000 0.249 729 D C -0.726 175.861 176.300 0.478 0.000 1.078 729 D CA 0.027 54.218 54.000 0.320 0.000 0.875 729 D CB 0.916 41.816 40.800 0.168 0.000 1.175 729 D HN 0.333 nan 8.370 nan 0.000 0.440 730 F N -0.243 119.791 119.950 0.139 0.000 2.741 730 F HA 0.456 4.983 4.527 -0.000 0.000 0.313 730 F C -1.089 174.775 175.800 0.108 0.000 1.153 730 F CA -1.107 57.002 58.000 0.181 0.000 0.931 730 F CB 0.656 39.805 39.000 0.247 0.000 1.335 730 F HN 0.189 nan 8.300 nan 0.000 0.460 731 Q N 0.498 120.333 119.800 0.059 0.000 2.215 731 Q HA 0.740 5.080 4.340 -0.000 0.000 0.256 731 Q C -1.071 174.850 176.000 -0.133 0.000 0.972 731 Q CA -0.927 54.817 55.803 -0.098 0.000 0.889 731 Q CB 2.283 31.035 28.738 0.023 0.000 1.281 731 Q HN 0.831 nan 8.270 nan 0.000 0.456 732 T N 1.084 115.545 114.554 -0.155 0.000 2.896 732 T HA 0.680 5.030 4.350 -0.000 0.000 0.297 732 T C -1.689 172.920 174.700 -0.151 0.000 1.108 732 T CA -0.588 61.451 62.100 -0.102 0.000 1.004 732 T CB 1.252 70.087 68.868 -0.055 0.000 1.159 732 T HN 0.501 nan 8.240 nan 0.000 0.499 733 M N 3.236 122.745 119.600 -0.151 0.000 2.310 733 M HA 0.460 4.939 4.480 -0.000 0.000 0.242 733 M C -2.248 173.905 176.300 -0.245 0.000 1.000 733 M CA -0.538 54.541 55.300 -0.369 0.000 0.970 733 M CB 0.863 33.193 32.600 -0.450 0.000 2.191 733 M HN 0.698 nan 8.290 nan 0.000 0.470 734 W N 4.570 125.704 121.300 -0.276 0.000 2.448 734 W HA 0.778 5.438 4.660 -0.000 0.000 0.339 734 W C -2.000 174.254 176.519 -0.441 0.000 1.124 734 W CA -0.860 56.397 57.345 -0.147 0.000 1.262 734 W CB 0.375 29.795 29.460 -0.066 0.000 1.251 734 W HN 0.605 nan 8.180 nan 0.000 0.597 735 Y N 2.473 122.930 120.300 0.261 0.000 2.426 735 Y HA 0.287 4.837 4.550 -0.000 0.000 0.325 735 Y C 0.418 176.430 175.900 0.187 0.000 0.989 735 Y CA -1.209 56.957 58.100 0.110 0.000 1.284 735 Y CB 1.207 39.688 38.460 0.034 0.000 1.104 735 Y HN 0.442 nan 8.280 nan 0.000 0.481 736 T N 4.498 119.230 114.554 0.296 0.000 2.822 736 T HA -0.044 4.306 4.350 -0.000 0.000 0.288 736 T C 0.245 175.009 174.700 0.108 0.000 0.991 736 T CA 0.680 62.871 62.100 0.151 0.000 1.176 736 T CB -0.097 68.796 68.868 0.042 0.000 0.951 736 T HN 0.687 nan 8.240 nan 0.000 0.526 737 D N 0.767 121.209 120.400 0.070 0.000 3.077 737 D HA -0.127 4.512 4.640 -0.000 0.000 0.217 737 D C 0.186 176.618 176.300 0.220 0.000 1.162 737 D CA 1.109 55.115 54.000 0.010 0.000 0.943 737 D CB -0.381 40.227 40.800 -0.320 0.000 1.122 737 D HN 0.588 nan 8.370 nan 0.000 0.413 738 E N 1.040 121.378 120.200 0.230 0.000 2.283 738 E HA 0.303 4.653 4.350 -0.000 0.000 0.278 738 E C 0.708 177.474 176.600 0.276 0.000 1.027 738 E CA -0.298 56.249 56.400 0.245 0.000 0.843 738 E CB 1.148 30.977 29.700 0.215 0.000 1.062 738 E HN 0.358 nan 8.360 nan 0.000 0.401 739 D N 0.075 120.648 120.400 0.289 0.000 2.453 739 D HA -0.035 4.605 4.640 -0.000 0.000 0.282 739 D C 1.159 177.661 176.300 0.338 0.000 1.222 739 D CA -0.149 54.042 54.000 0.318 0.000 1.079 739 D CB 0.010 41.026 40.800 0.360 0.000 1.128 739 D HN 0.402 nan 8.370 nan 0.000 0.568 740 H N -1.386 117.834 119.070 0.251 0.000 2.422 740 H HA 0.002 4.558 4.556 -0.000 0.000 0.298 740 H C 2.033 177.529 175.328 0.281 0.000 1.098 740 H CA 2.233 58.432 56.048 0.253 0.000 1.315 740 H CB -0.565 29.338 29.762 0.234 0.000 1.382 740 H HN 0.495 nan 8.280 nan 0.000 0.523 741 G N -0.128 108.761 108.800 0.148 0.000 2.430 741 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.216 741 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.216 741 G C 0.679 175.694 174.900 0.191 0.000 1.146 741 G CA 0.417 45.531 45.100 0.023 0.000 0.793 741 G HN 0.541 nan 8.290 nan 0.000 0.537 742 I N -0.149 120.549 120.570 0.213 0.000 6.833 742 I HA -0.285 3.885 4.170 -0.000 0.000 0.126 742 I C 1.330 177.537 176.117 0.151 0.000 1.810 742 I CA 0.122 61.522 61.300 0.165 0.000 2.119 742 I CB -1.306 36.786 38.000 0.153 0.000 3.512 742 I HN 0.273 nan 8.210 nan 0.000 0.194 743 A N 1.102 123.988 122.820 0.111 0.000 2.430 743 A HA 0.344 4.664 4.320 -0.000 0.000 0.243 743 A C 1.121 178.736 177.584 0.051 0.000 1.254 743 A CA 0.565 52.640 52.037 0.063 0.000 0.914 743 A CB 0.148 19.149 19.000 0.002 0.000 0.998 743 A HN 0.653 nan 8.150 nan 0.000 0.515 744 S N -0.416 115.330 115.700 0.076 0.000 2.579 744 S HA 0.064 4.534 4.470 -0.000 0.000 0.275 744 S C 0.777 175.423 174.600 0.076 0.000 1.345 744 S CA 0.324 58.565 58.200 0.067 0.000 1.031 744 S CB 0.112 63.359 63.200 0.077 0.000 0.892 744 S HN 0.506 nan 8.310 nan 0.000 0.529 745 N N 1.084 119.818 118.700 0.056 0.000 2.061 745 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 745 N C 1.613 177.182 175.510 0.098 0.000 1.030 745 N CA 1.717 54.809 53.050 0.071 0.000 0.856 745 N CB -0.271 38.236 38.487 0.035 0.000 1.023 745 N HN 0.517 nan 8.380 nan 0.000 0.424 746 M N 0.433 120.076 119.600 0.072 0.000 2.200 746 M HA 0.049 4.529 4.480 -0.000 0.000 0.265 746 M C 2.256 178.604 176.300 0.080 0.000 1.066 746 M CA 0.762 56.106 55.300 0.073 0.000 1.127 746 M CB -1.250 31.385 32.600 0.057 0.000 1.379 746 M HN 0.159 nan 8.290 nan 0.000 0.420 747 A N -0.957 121.891 122.820 0.046 0.000 1.897 747 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 747 A C 2.072 179.600 177.584 -0.095 0.000 1.181 747 A CA 2.005 53.999 52.037 -0.071 0.000 0.620 747 A CB -1.038 17.892 19.000 -0.116 0.000 0.821 747 A HN 0.555 nan 8.150 nan 0.000 0.443 748 H N 0.029 119.070 119.070 -0.049 0.000 2.289 748 H HA -0.172 4.384 4.556 -0.000 0.000 0.296 748 H C 2.087 177.467 175.328 0.088 0.000 1.091 748 H CA 2.462 58.532 56.048 0.036 0.000 1.274 748 H CB -0.281 29.518 29.762 0.061 0.000 1.364 748 H HN 0.572 nan 8.280 nan 0.000 0.490 749 Q N -1.111 118.649 119.800 -0.067 0.000 2.124 749 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 749 Q C 2.258 178.218 176.000 -0.066 0.000 0.977 749 Q CA 1.314 57.049 55.803 -0.114 0.000 0.850 749 Q CB -0.193 28.531 28.738 -0.024 0.000 0.901 749 Q HN 0.639 nan 8.270 nan 0.000 0.429 750 H N 0.738 119.758 119.070 -0.083 0.000 2.357 750 H HA -0.064 4.492 4.556 -0.000 0.000 0.301 750 H C 2.017 177.314 175.328 -0.051 0.000 1.082 750 H CA 1.261 57.294 56.048 -0.026 0.000 1.342 750 H CB -0.014 29.787 29.762 0.065 0.000 1.389 750 H HN 0.277 nan 8.280 nan 0.000 0.511 751 I N 0.095 120.607 120.570 -0.097 0.000 2.252 751 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 751 I C 1.764 177.630 176.117 -0.419 0.000 1.102 751 I CA 1.232 62.381 61.300 -0.251 0.000 1.385 751 I CB -0.265 37.380 38.000 -0.592 0.000 1.064 751 I HN 0.121 nan 8.210 nan 0.000 0.414 752 Y N 0.908 120.980 120.300 -0.380 0.000 2.352 752 Y HA -0.178 4.372 4.550 -0.000 0.000 0.292 752 Y C 2.697 178.368 175.900 -0.381 0.000 1.136 752 Y CA 1.700 59.459 58.100 -0.568 0.000 1.227 752 Y CB -0.839 37.314 38.460 -0.512 0.000 0.991 752 Y HN 0.161 nan 8.280 nan 0.000 0.545 753 T N -1.785 112.670 114.554 -0.166 0.000 2.812 753 T HA -0.201 4.149 4.350 -0.000 0.000 0.264 753 T C 1.567 176.058 174.700 -0.349 0.000 1.042 753 T CA 1.762 63.711 62.100 -0.253 0.000 1.140 753 T CB -0.394 68.323 68.868 -0.252 0.000 0.870 753 T HN 0.411 nan 8.240 nan 0.000 0.445 754 H N 0.924 119.807 119.070 -0.312 0.000 2.357 754 H HA 0.134 4.690 4.556 -0.000 0.000 0.301 754 H C 2.126 177.398 175.328 -0.094 0.000 1.082 754 H CA 1.483 57.429 56.048 -0.171 0.000 1.342 754 H CB -0.220 29.474 29.762 -0.114 0.000 1.389 754 H HN 0.241 nan 8.280 nan 0.000 0.511 755 M N -0.841 118.669 119.600 -0.150 0.000 2.229 755 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 755 M C 2.315 178.695 176.300 0.133 0.000 1.063 755 M CA 1.234 56.452 55.300 -0.137 0.000 1.114 755 M CB 0.121 32.416 32.600 -0.509 0.000 1.387 755 M HN 0.198 nan 8.290 nan 0.000 0.420 756 S N -0.643 115.151 115.700 0.156 0.000 2.368 756 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 756 S C 1.686 176.378 174.600 0.154 0.000 1.029 756 S CA 0.945 59.338 58.200 0.322 0.000 0.988 756 S CB -0.453 62.952 63.200 0.342 0.000 0.838 756 S HN 0.468 nan 8.310 nan 0.000 0.462 757 H N 0.079 119.197 119.070 0.080 0.000 2.321 757 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 757 H C 1.935 177.254 175.328 -0.016 0.000 1.087 757 H CA 1.140 57.191 56.048 0.006 0.000 1.319 757 H CB -0.855 28.865 29.762 -0.070 0.000 1.379 757 H HN 0.431 nan 8.280 nan 0.000 0.501 758 F N 1.127 121.041 119.950 -0.060 0.000 2.069 758 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 758 F C 2.532 178.274 175.800 -0.097 0.000 1.113 758 F CA 1.068 59.006 58.000 -0.104 0.000 1.214 758 F CB -0.642 38.268 39.000 -0.149 0.000 0.978 758 F HN 0.014 nan 8.300 nan 0.000 0.474 759 L N 0.162 121.408 121.223 0.037 0.000 2.012 759 L HA -0.280 4.059 4.340 -0.000 0.000 0.210 759 L C 2.445 179.120 176.870 -0.325 0.000 1.073 759 L CA 1.891 56.592 54.840 -0.230 0.000 0.748 759 L CB -0.524 41.495 42.059 -0.066 0.000 0.891 759 L HN 0.173 nan 8.230 nan 0.000 0.431 760 K N -1.014 119.346 120.400 -0.067 0.000 2.148 760 K HA -0.179 4.140 4.320 -0.000 0.000 0.204 760 K C 2.126 178.712 176.600 -0.024 0.000 1.050 760 K CA 0.910 57.212 56.287 0.023 0.000 0.942 760 K CB -0.006 32.560 32.500 0.110 0.000 0.724 760 K HN 0.353 nan 8.250 nan 0.000 0.446 761 Q N 0.220 119.955 119.800 -0.108 0.000 2.050 761 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 761 Q C 2.449 178.346 176.000 -0.172 0.000 0.980 761 Q CA 1.378 57.099 55.803 -0.136 0.000 0.840 761 Q CB -0.562 28.061 28.738 -0.191 0.000 0.898 761 Q HN 0.422 nan 8.270 nan 0.000 0.424 762 c N 0.094 118.493 118.600 -0.335 0.000 2.422 762 c HA -0.093 4.477 4.570 -0.000 0.000 0.279 762 c C 2.123 176.208 174.090 -0.008 0.000 1.305 762 c CA 0.314 56.467 56.329 -0.293 0.000 1.757 762 c CB -1.032 41.157 42.510 -0.536 0.000 1.962 762 c HN 0.343 nan 8.230 nan 0.000 0.499 763 F N 1.681 121.597 119.950 -0.057 0.000 2.765 763 F HA 0.244 4.771 4.527 -0.000 0.000 0.302 763 F C 1.698 177.484 175.800 -0.022 0.000 1.111 763 F CA 0.455 58.442 58.000 -0.022 0.000 1.359 763 F CB -1.127 37.869 39.000 -0.007 0.000 1.097 763 F HN 0.227 nan 8.300 nan 0.000 0.577 764 S N 0.749 116.531 115.700 0.137 0.000 3.641 764 S HA -0.200 4.270 4.470 -0.000 0.000 0.346 764 S C 0.069 174.712 174.600 0.073 0.000 1.074 764 S CA 0.120 58.363 58.200 0.071 0.000 1.026 764 S CB -2.143 61.089 63.200 0.053 0.000 0.908 764 S HN 0.229 nan 8.310 nan 0.000 0.479 765 L N 2.042 123.325 121.223 0.099 0.000 2.289 765 L HA 0.482 4.821 4.340 -0.000 0.000 0.285 765 L C -0.938 175.972 176.870 0.067 0.000 1.049 765 L CA -1.856 53.036 54.840 0.087 0.000 0.804 765 L CB 0.401 42.535 42.059 0.124 0.000 1.195 765 L HN 0.073 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.128 63.100 0.047 0.000 0.800 766 P CB 0.000 31.720 31.700 0.033 0.000 0.726