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_B 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 0.000 174.623 174.600 0.039 0.000 1.055 39 S CA 0.000 58.211 58.200 0.018 0.000 1.107 39 S CB 0.000 63.214 63.200 0.024 0.000 0.593 40 R N 1.583 122.119 120.500 0.060 0.000 3.073 40 R HA 0.410 4.408 4.340 -0.569 0.000 0.290 40 R C 0.269 176.618 176.300 0.082 0.000 1.130 40 R CA -0.014 56.132 56.100 0.076 0.000 1.186 40 R CB 0.194 30.550 30.300 0.092 0.000 1.166 40 R HN 0.345 nan 8.270 nan 0.000 0.563 41 R N -0.164 120.396 120.500 0.100 0.000 2.546 41 R HA 0.180 4.178 4.340 -0.569 0.000 0.266 41 R C 0.041 176.417 176.300 0.127 0.000 1.086 41 R CA -0.234 55.933 56.100 0.112 0.000 1.160 41 R CB 0.853 31.235 30.300 0.136 0.000 1.138 41 R HN 0.668 nan 8.270 nan 0.000 0.567 42 T N -2.321 112.315 114.554 0.137 0.000 2.952 42 T HA 0.202 4.210 4.350 -0.569 0.000 0.286 42 T C -0.684 174.142 174.700 0.210 0.000 1.024 42 T CA -0.711 61.484 62.100 0.159 0.000 1.029 42 T CB 0.866 69.822 68.868 0.146 0.000 1.094 42 T HN 0.465 nan 8.240 nan 0.000 0.515 43 Y N 2.875 123.229 120.300 0.090 0.000 2.537 43 Y HA 0.362 4.570 4.550 -0.570 0.000 0.339 43 Y C 0.972 177.010 175.900 0.230 0.000 1.066 43 Y CA -0.154 58.016 58.100 0.117 0.000 1.357 43 Y CB -0.074 38.403 38.460 0.027 0.000 1.175 43 Y HN 1.004 nan 8.280 nan 0.000 0.525 44 T N 3.031 117.555 114.554 -0.050 0.000 2.881 44 T HA 0.163 4.171 4.350 -0.569 0.000 0.278 44 T C 0.945 175.513 174.700 -0.220 0.000 0.982 44 T CA -0.804 61.299 62.100 0.005 0.000 0.989 44 T CB 1.302 70.165 68.868 -0.008 0.000 1.058 44 T HN 0.684 nan 8.240 nan 0.000 0.529 45 L N 1.375 122.303 121.223 -0.493 0.000 2.042 45 L HA -0.002 3.996 4.340 -0.569 0.000 0.210 45 L C 2.525 179.244 176.870 -0.252 0.000 1.076 45 L CA 2.183 56.615 54.840 -0.681 0.000 0.749 45 L CB -1.634 39.891 42.059 -0.889 0.000 0.893 45 L HN 0.962 nan 8.230 nan 0.000 0.432 46 T N -0.557 113.878 114.554 -0.198 0.000 2.788 46 T HA -0.155 3.853 4.350 -0.569 0.000 0.268 46 T C 1.517 176.141 174.700 -0.126 0.000 1.044 46 T CA 1.429 63.451 62.100 -0.130 0.000 1.139 46 T CB -0.386 68.427 68.868 -0.092 0.000 0.867 46 T HN 0.406 nan 8.240 nan 0.000 0.454 47 D N 0.082 120.382 120.400 -0.166 0.000 2.123 47 D HA -0.090 4.209 4.640 -0.569 0.000 0.196 47 D C 1.750 178.000 176.300 -0.083 0.000 0.992 47 D CA 1.054 54.955 54.000 -0.165 0.000 0.833 47 D CB -0.294 40.331 40.800 -0.292 0.000 0.954 47 D HN 0.418 nan 8.370 nan 0.000 0.455 48 Y N 1.624 121.782 120.300 -0.237 0.000 2.130 48 Y HA -0.080 4.128 4.550 -0.571 0.000 0.287 48 Y C 2.265 178.184 175.900 0.032 0.000 1.124 48 Y CA 1.139 59.251 58.100 0.020 0.000 1.118 48 Y CB -0.706 37.806 38.460 0.087 0.000 0.994 48 Y HN -0.140 nan 8.280 nan 0.000 0.497 49 L N 0.198 121.230 121.223 -0.318 0.000 2.127 49 L HA -0.228 3.770 4.340 -0.569 0.000 0.211 49 L C 1.874 178.639 176.870 -0.176 0.000 1.089 49 L CA 1.475 56.103 54.840 -0.354 0.000 0.757 49 L CB -0.511 41.419 42.059 -0.215 0.000 0.899 49 L HN 0.143 nan 8.230 nan 0.000 0.434 50 K N -0.759 119.569 120.400 -0.120 0.000 2.374 50 K HA 0.181 4.159 4.320 -0.569 0.000 0.196 50 K C 0.825 177.396 176.600 -0.048 0.000 1.023 50 K CA 0.054 56.297 56.287 -0.074 0.000 1.103 50 K CB 0.613 33.069 32.500 -0.074 0.000 0.848 50 K HN 0.041 nan 8.250 nan 0.000 0.528 51 S N 1.035 116.723 115.700 -0.020 0.000 3.614 51 S HA -0.147 3.981 4.470 -0.569 0.000 0.360 51 S C 1.253 175.873 174.600 0.033 0.000 1.023 51 S CA 1.076 59.312 58.200 0.061 0.000 1.114 51 S CB -1.745 61.480 63.200 0.043 0.000 0.907 51 S HN 0.649 nan 8.310 nan 0.000 0.470 52 T N -2.417 112.112 114.554 -0.042 0.000 2.929 52 T HA 0.013 4.022 4.350 -0.569 0.000 0.271 52 T C 0.358 174.846 174.700 -0.355 0.000 1.085 52 T CA 0.848 62.804 62.100 -0.239 0.000 1.125 52 T CB -0.356 68.273 68.868 -0.398 0.000 0.874 52 T HN 0.386 nan 8.240 nan 0.000 0.494 53 F N 2.127 122.162 119.950 0.142 0.000 2.291 53 F HA 0.581 4.766 4.527 -0.570 0.000 0.368 53 F C 0.487 176.395 175.800 0.181 0.000 1.085 53 F CA -1.550 56.562 58.000 0.188 0.000 1.165 53 F CB 0.703 39.887 39.000 0.307 0.000 1.429 53 F HN -0.130 nan 8.300 nan 0.000 0.503 54 R N 1.719 122.355 120.500 0.227 0.000 2.401 54 R HA 0.428 4.426 4.340 -0.569 0.000 0.299 54 R C -1.127 175.299 176.300 0.209 0.000 1.064 54 R CA -0.084 56.124 56.100 0.180 0.000 1.000 54 R CB 0.533 30.882 30.300 0.081 0.000 0.973 54 R HN 0.366 nan 8.270 nan 0.000 0.438 55 V N 6.270 126.328 119.914 0.240 0.000 2.350 55 V HA 0.286 4.064 4.120 -0.569 0.000 0.276 55 V C 0.217 176.437 176.094 0.210 0.000 1.028 55 V CA -0.568 61.892 62.300 0.267 0.000 0.860 55 V CB 1.213 33.260 31.823 0.373 0.000 0.990 55 V HN 0.713 nan 8.190 nan 0.000 0.453 56 K N 4.503 124.960 120.400 0.096 0.000 2.098 56 K HA 0.691 4.670 4.320 -0.569 0.000 0.257 56 K C -0.606 175.987 176.600 -0.012 0.000 0.999 56 K CA -0.172 56.047 56.287 -0.113 0.000 0.924 56 K CB 1.183 33.597 32.500 -0.143 0.000 1.028 56 K HN 0.586 nan 8.250 nan 0.000 0.466 57 F N -1.400 118.497 119.950 -0.088 0.000 2.849 57 F HA 0.522 4.707 4.527 -0.569 0.000 0.341 57 F C -1.265 174.221 175.800 -0.524 0.000 1.185 57 F CA -1.329 56.403 58.000 -0.446 0.000 1.007 57 F CB 0.769 39.690 39.000 -0.133 0.000 1.454 57 F HN 0.351 nan 8.300 nan 0.000 0.518 58 Y N 0.548 120.461 120.300 -0.646 0.000 2.359 58 Y HA 0.478 4.686 4.550 -0.569 0.000 0.336 58 Y C -1.179 174.724 175.900 0.004 0.000 1.098 58 Y CA -0.663 57.264 58.100 -0.288 0.000 1.272 58 Y CB 1.379 39.525 38.460 -0.522 0.000 1.112 58 Y HN 0.731 nan 8.280 nan 0.000 0.481 59 T N 7.136 121.809 114.554 0.199 0.000 2.744 59 T HA 0.602 4.611 4.350 -0.569 0.000 0.291 59 T C -0.757 174.028 174.700 0.142 0.000 0.957 59 T CA -0.359 61.846 62.100 0.175 0.000 1.002 59 T CB 0.240 69.203 68.868 0.159 0.000 0.919 59 T HN 0.515 nan 8.240 nan 0.000 0.468 60 L N 1.556 122.814 121.223 0.059 0.000 2.327 60 L HA 0.757 4.756 4.340 -0.569 0.000 0.258 60 L C -0.801 176.029 176.870 -0.067 0.000 1.024 60 L CA -1.048 53.775 54.840 -0.030 0.000 0.825 60 L CB 1.653 43.435 42.059 -0.461 0.000 1.386 60 L HN 0.406 nan 8.230 nan 0.000 0.417 61 Q N 0.833 120.626 119.800 -0.012 0.000 2.309 61 Q HA 0.384 4.383 4.340 -0.569 0.000 0.270 61 Q C -1.840 174.205 176.000 0.076 0.000 1.023 61 Q CA -0.285 55.553 55.803 0.060 0.000 0.758 61 Q CB 1.646 30.462 28.738 0.130 0.000 1.247 61 Q HN 0.648 nan 8.270 nan 0.000 0.455 62 W N 3.960 125.378 121.300 0.197 0.000 2.216 62 W HA 0.185 4.504 4.660 -0.570 0.000 0.326 62 W C 1.186 177.803 176.519 0.162 0.000 1.319 62 W CA -0.284 57.185 57.345 0.208 0.000 1.213 62 W CB 0.484 30.060 29.460 0.193 0.000 1.171 62 W HN 0.658 nan 8.180 nan 0.000 0.557 63 I N 0.446 121.241 120.570 0.374 0.000 4.225 63 I HA 0.399 4.228 4.170 -0.569 0.000 0.327 63 I C 0.315 176.541 176.117 0.181 0.000 1.422 63 I CA -0.205 61.224 61.300 0.214 0.000 1.150 63 I CB -0.192 37.864 38.000 0.095 0.000 1.192 63 I HN 0.273 nan 8.210 nan 0.000 0.440 64 S N 0.227 116.074 115.700 0.246 0.000 2.671 64 S HA 0.194 4.322 4.470 -0.569 0.000 0.270 64 S C -0.396 174.350 174.600 0.243 0.000 1.166 64 S CA 0.068 58.379 58.200 0.184 0.000 0.868 64 S CB 0.753 63.993 63.200 0.067 0.000 1.190 64 S HN 0.234 nan 8.310 nan 0.000 0.494 65 D N -0.052 120.506 120.400 0.264 0.000 2.349 65 D HA 0.070 4.369 4.640 -0.569 0.000 0.224 65 D C 1.068 177.645 176.300 0.462 0.000 1.029 65 D CA 1.188 55.355 54.000 0.278 0.000 0.879 65 D CB -0.425 40.521 40.800 0.244 0.000 0.906 65 D HN 0.801 nan 8.370 nan 0.000 0.528 66 H N -2.088 117.182 119.070 0.334 0.000 3.566 66 H HA 0.398 4.613 4.556 -0.569 0.000 0.259 66 H C -0.698 174.782 175.328 0.254 0.000 1.184 66 H CA -0.432 55.807 56.048 0.318 0.000 1.107 66 H CB -0.318 29.586 29.762 0.237 0.000 1.726 66 H HN 0.064 nan 8.280 nan 0.000 0.743 67 E N 1.017 121.238 120.200 0.036 0.000 2.312 67 E HA 0.489 4.497 4.350 -0.569 0.000 0.267 67 E C -1.542 175.196 176.600 0.230 0.000 0.894 67 E CA -1.241 55.146 56.400 -0.022 0.000 0.773 67 E CB 2.879 32.450 29.700 -0.215 0.000 1.241 67 E HN 0.289 nan 8.360 nan 0.000 0.432 68 Y N -0.802 119.489 120.300 -0.016 0.000 2.581 68 Y HA 0.545 4.753 4.550 -0.569 0.000 0.337 68 Y C -1.962 173.936 175.900 -0.003 0.000 1.108 68 Y CA -1.292 56.728 58.100 -0.134 0.000 1.033 68 Y CB 0.702 38.751 38.460 -0.685 0.000 1.318 68 Y HN 0.360 nan 8.280 nan 0.000 0.459 69 L N 3.409 124.791 121.223 0.265 0.000 2.343 69 L HA 0.533 4.531 4.340 -0.569 0.000 0.275 69 L C -1.309 175.850 176.870 0.482 0.000 1.056 69 L CA -1.064 53.924 54.840 0.246 0.000 0.804 69 L CB 1.609 43.733 42.059 0.108 0.000 1.203 69 L HN 0.804 nan 8.230 nan 0.000 0.440 70 Y N 2.212 122.704 120.300 0.320 0.000 2.401 70 Y HA 0.271 4.479 4.550 -0.569 0.000 0.330 70 Y C -0.606 175.406 175.900 0.185 0.000 1.071 70 Y CA -1.245 56.997 58.100 0.236 0.000 1.049 70 Y CB 1.502 40.113 38.460 0.252 0.000 1.239 70 Y HN 0.448 nan 8.280 nan 0.000 0.437 71 K N 5.394 125.527 120.400 -0.445 0.000 2.310 71 K HA 0.246 4.224 4.320 -0.569 0.000 0.290 71 K C -0.902 175.290 176.600 -0.680 0.000 1.077 71 K CA -0.238 55.840 56.287 -0.347 0.000 0.922 71 K CB 0.505 32.961 32.500 -0.074 0.000 1.057 71 K HN 0.819 nan 8.250 nan 0.000 0.479 72 Q N 4.400 124.004 119.800 -0.327 0.000 2.347 72 Q HA 0.110 4.108 4.340 -0.569 0.000 0.265 72 Q C -1.202 174.756 176.000 -0.070 0.000 1.024 72 Q CA -0.185 55.511 55.803 -0.179 0.000 0.731 72 Q CB 0.866 29.672 28.738 0.114 0.000 1.245 72 Q HN 0.783 nan 8.270 nan 0.000 0.472 73 E N 3.276 123.419 120.200 -0.094 0.000 2.553 73 E HA -0.311 3.698 4.350 -0.569 0.000 0.264 73 E C -0.454 176.109 176.600 -0.062 0.000 1.068 73 E CA 0.577 56.939 56.400 -0.063 0.000 0.774 73 E CB -1.083 28.604 29.700 -0.022 0.000 1.349 73 E HN 0.957 nan 8.360 nan 0.000 0.404 74 N N -1.393 117.241 118.700 -0.109 0.000 2.878 74 N HA -0.165 4.233 4.740 -0.569 0.000 0.247 74 N C -0.863 174.697 175.510 0.083 0.000 1.021 74 N CA 1.398 54.374 53.050 -0.123 0.000 0.873 74 N CB -0.981 37.438 38.487 -0.113 0.000 1.128 74 N HN 0.368 nan 8.380 nan 0.000 0.571 75 N N 0.455 119.182 118.700 0.045 0.000 2.361 75 N HA 0.541 4.940 4.740 -0.569 0.000 0.302 75 N C -0.152 175.387 175.510 0.049 0.000 1.074 75 N CA -0.329 52.770 53.050 0.082 0.000 0.850 75 N CB 1.419 39.930 38.487 0.039 0.000 1.228 75 N HN 0.092 nan 8.380 nan 0.000 0.491 76 I N 2.598 123.204 120.570 0.059 0.000 2.307 76 I HA 0.269 4.097 4.170 -0.569 0.000 0.289 76 I C -0.521 175.641 176.117 0.075 0.000 1.021 76 I CA -0.459 60.842 61.300 0.002 0.000 1.224 76 I CB 0.401 38.347 38.000 -0.089 0.000 1.376 76 I HN 0.243 nan 8.210 nan 0.000 0.470 77 L N 6.513 127.786 121.223 0.082 0.000 2.334 77 L HA 0.500 4.499 4.340 -0.569 0.000 0.275 77 L C -0.561 176.266 176.870 -0.072 0.000 1.036 77 L CA -0.960 53.864 54.840 -0.027 0.000 0.807 77 L CB 1.943 43.926 42.059 -0.127 0.000 1.231 77 L HN 0.420 nan 8.230 nan 0.000 0.438 78 L N 2.559 123.652 121.223 -0.217 0.000 2.277 78 L HA 0.501 4.499 4.340 -0.569 0.000 0.284 78 L C -1.031 175.592 176.870 -0.411 0.000 1.028 78 L CA 0.226 54.944 54.840 -0.203 0.000 0.835 78 L CB 0.397 42.422 42.059 -0.058 0.000 1.215 78 L HN 0.184 nan 8.230 nan 0.000 0.425 79 F N 3.560 123.244 119.950 -0.444 0.000 2.399 79 F HA 0.411 4.596 4.527 -0.569 0.000 0.334 79 F C 0.841 176.321 175.800 -0.534 0.000 1.097 79 F CA -0.328 57.318 58.000 -0.591 0.000 1.076 79 F CB 1.091 39.433 39.000 -1.097 0.000 1.162 79 F HN 0.506 nan 8.300 nan 0.000 0.495 80 N N 2.011 120.629 118.700 -0.138 0.000 2.501 80 N HA 0.268 4.667 4.740 -0.569 0.000 0.245 80 N C 0.518 175.949 175.510 -0.131 0.000 0.974 80 N CA 0.004 52.998 53.050 -0.093 0.000 0.941 80 N CB 1.655 40.162 38.487 0.033 0.000 1.122 80 N HN 0.791 nan 8.380 nan 0.000 0.507 81 A N 4.059 126.763 122.820 -0.192 0.000 1.986 81 A HA -0.201 3.778 4.320 -0.569 0.000 0.220 81 A C 1.778 179.078 177.584 -0.472 0.000 1.171 81 A CA 1.499 53.325 52.037 -0.351 0.000 0.640 81 A CB -0.250 18.353 19.000 -0.661 0.000 0.811 81 A HN 0.832 nan 8.150 nan 0.000 0.451 82 E N -1.269 118.644 120.200 -0.478 0.000 2.012 82 E HA -0.208 3.801 4.350 -0.569 0.000 0.197 82 E C 1.573 177.978 176.600 -0.326 0.000 1.007 82 E CA 1.786 57.919 56.400 -0.446 0.000 0.816 82 E CB -0.364 28.859 29.700 -0.795 0.000 0.762 82 E HN 0.842 nan 8.360 nan 0.000 0.451 83 Y N -0.825 119.486 120.300 0.018 0.000 2.466 83 Y HA 0.298 4.506 4.550 -0.569 0.000 0.272 83 Y C 1.761 177.666 175.900 0.009 0.000 1.169 83 Y CA 0.263 58.373 58.100 0.017 0.000 1.285 83 Y CB 0.195 38.668 38.460 0.021 0.000 1.078 83 Y HN 0.229 nan 8.280 nan 0.000 0.523 84 G N 0.761 109.613 108.800 0.088 0.000 2.220 84 G HA2 -0.378 3.240 3.960 -0.569 0.000 0.269 84 G HA3 -0.378 3.240 3.960 -0.569 0.000 0.269 84 G C 0.267 175.246 174.900 0.132 0.000 0.977 84 G CA 0.417 45.570 45.100 0.087 0.000 0.634 84 G HN 0.512 nan 8.290 nan 0.000 0.539 85 N N 0.763 119.537 118.700 0.125 0.000 2.525 85 N HA 0.532 4.931 4.740 -0.569 0.000 0.271 85 N C 0.020 175.509 175.510 -0.034 0.000 1.194 85 N CA 0.584 53.672 53.050 0.063 0.000 0.964 85 N CB 1.476 40.001 38.487 0.064 0.000 1.126 85 N HN 0.905 nan 8.380 nan 0.000 0.452 86 S N -0.600 115.001 115.700 -0.166 0.000 2.632 86 S HA 0.791 4.920 4.470 -0.569 0.000 0.289 86 S C -0.672 173.751 174.600 -0.295 0.000 1.115 86 S CA -0.837 57.095 58.200 -0.447 0.000 0.889 86 S CB 1.217 63.714 63.200 -1.172 0.000 1.116 86 S HN 0.922 nan 8.310 nan 0.000 0.486 87 S N 0.322 115.847 115.700 -0.292 0.000 2.569 87 S HA 0.660 4.789 4.470 -0.569 0.000 0.280 87 S C -0.672 173.849 174.600 -0.132 0.000 1.111 87 S CA -1.043 57.062 58.200 -0.157 0.000 0.887 87 S CB 0.526 63.675 63.200 -0.085 0.000 1.095 87 S HN 0.760 nan 8.310 nan 0.000 0.476 88 I N 2.471 122.992 120.570 -0.081 0.000 2.533 88 I HA 0.162 3.990 4.170 -0.569 0.000 0.284 88 I C 0.412 176.531 176.117 0.003 0.000 1.109 88 I CA -0.111 61.164 61.300 -0.041 0.000 1.412 88 I CB 0.401 38.372 38.000 -0.048 0.000 1.396 88 I HN 0.811 nan 8.210 nan 0.000 0.543 89 F N 7.495 127.383 119.950 -0.103 0.000 2.505 89 F HA 0.330 4.515 4.527 -0.569 0.000 0.289 89 F C 0.136 175.883 175.800 -0.089 0.000 1.101 89 F CA 0.175 58.122 58.000 -0.088 0.000 1.446 89 F CB 0.619 39.571 39.000 -0.080 0.000 1.123 89 F HN 0.293 nan 8.300 nan 0.000 0.564 90 L N 1.319 122.560 121.223 0.029 0.000 2.661 90 L HA 0.272 4.270 4.340 -0.569 0.000 0.263 90 L C -0.832 175.985 176.870 -0.088 0.000 0.956 90 L CA -0.452 54.333 54.840 -0.092 0.000 0.918 90 L CB 1.342 43.364 42.059 -0.061 0.000 1.280 90 L HN -0.040 nan 8.230 nan 0.000 0.416 91 E N 1.677 121.807 120.200 -0.117 0.000 2.437 91 E HA -0.034 3.974 4.350 -0.569 0.000 0.263 91 E C 0.627 177.183 176.600 -0.073 0.000 1.030 91 E CA 0.580 56.931 56.400 -0.080 0.000 0.934 91 E CB 0.629 30.279 29.700 -0.084 0.000 0.943 91 E HN 0.702 nan 8.360 nan 0.000 0.444 92 N N 0.395 119.101 118.700 0.009 0.000 2.348 92 N HA -0.172 4.227 4.740 -0.569 0.000 0.185 92 N C 0.383 175.916 175.510 0.038 0.000 1.019 92 N CA 0.970 54.077 53.050 0.095 0.000 0.880 92 N CB -0.050 38.471 38.487 0.056 0.000 0.965 92 N HN 0.218 nan 8.380 nan 0.000 0.437 93 S N -2.346 113.326 115.700 -0.047 0.000 3.965 93 S HA 0.409 4.537 4.470 -0.569 0.000 0.195 93 S C 0.020 174.530 174.600 -0.150 0.000 1.449 93 S CA -0.539 57.617 58.200 -0.074 0.000 0.965 93 S CB 0.155 63.321 63.200 -0.057 0.000 1.459 93 S HN 0.273 nan 8.310 nan 0.000 0.476 94 T N -0.358 114.051 114.554 -0.242 0.000 3.285 94 T HA 0.170 4.178 4.350 -0.569 0.000 0.263 94 T C 0.454 174.866 174.700 -0.480 0.000 0.836 94 T CA -0.211 61.656 62.100 -0.388 0.000 0.849 94 T CB -0.410 68.105 68.868 -0.589 0.000 1.252 94 T HN 0.412 nan 8.240 nan 0.000 0.617 95 F N 2.883 122.644 119.950 -0.314 0.000 2.367 95 F HA 0.116 4.301 4.527 -0.569 0.000 0.298 95 F C 2.023 177.664 175.800 -0.266 0.000 1.094 95 F CA 0.332 58.102 58.000 -0.382 0.000 1.409 95 F CB -0.372 38.436 39.000 -0.319 0.000 1.064 95 F HN 0.115 nan 8.300 nan 0.000 0.528 96 D N 0.553 120.942 120.400 -0.017 0.000 2.218 96 D HA -0.196 4.102 4.640 -0.569 0.000 0.194 96 D C 0.738 176.995 176.300 -0.071 0.000 1.007 96 D CA 1.572 55.548 54.000 -0.039 0.000 0.879 96 D CB -0.427 40.346 40.800 -0.046 0.000 0.918 96 D HN 0.396 nan 8.370 nan 0.000 0.449 97 E N 0.306 120.441 120.200 -0.109 0.000 2.914 97 E HA 0.310 4.319 4.350 -0.569 0.000 0.246 97 E C -0.393 176.091 176.600 -0.193 0.000 1.146 97 E CA -0.353 55.969 56.400 -0.130 0.000 0.803 97 E CB 0.097 29.741 29.700 -0.094 0.000 1.409 97 E HN 0.178 nan 8.360 nan 0.000 0.392 98 L N 1.668 122.720 121.223 -0.286 0.000 3.186 98 L HA 0.467 4.465 4.340 -0.569 0.000 0.317 98 L C 0.988 177.395 176.870 -0.771 0.000 1.296 98 L CA -0.074 54.497 54.840 -0.447 0.000 0.870 98 L CB 0.646 42.442 42.059 -0.438 0.000 1.302 98 L HN 0.738 nan 8.230 nan 0.000 0.590 99 G N 0.352 108.780 108.800 -0.620 0.000 3.079 99 G HA2 -0.371 3.247 3.960 -0.569 0.000 0.214 99 G HA3 -0.371 3.247 3.960 -0.569 0.000 0.214 99 G C 0.037 174.458 174.900 -0.798 0.000 1.335 99 G CA 0.590 45.154 45.100 -0.893 0.000 0.822 99 G HN 0.376 nan 8.290 nan 0.000 0.545 100 Y N -1.903 118.308 120.300 -0.148 0.000 2.035 100 Y HA 0.640 4.850 4.550 -0.568 0.000 0.227 100 Y C 0.645 176.493 175.900 -0.086 0.000 1.708 100 Y CA -0.432 57.622 58.100 -0.076 0.000 1.022 100 Y CB -0.659 37.791 38.460 -0.017 0.000 4.222 100 Y HN 0.476 nan 8.280 nan 0.000 0.218 101 S N 1.230 117.125 115.700 0.324 0.000 2.533 101 S HA 0.397 4.526 4.470 -0.569 0.000 0.282 101 S C -0.356 174.321 174.600 0.128 0.000 1.304 101 S CA -0.085 58.185 58.200 0.116 0.000 1.063 101 S CB 0.380 63.602 63.200 0.037 0.000 0.881 101 S HN 0.435 nan 8.310 nan 0.000 0.493 102 T N 4.123 118.667 114.554 -0.017 0.000 3.145 102 T HA 0.124 4.133 4.350 -0.569 0.000 0.362 102 T C 1.570 176.238 174.700 -0.054 0.000 1.340 102 T CA -0.789 61.311 62.100 -0.001 0.000 1.069 102 T CB -0.120 68.695 68.868 -0.088 0.000 1.129 102 T HN 0.723 nan 8.240 nan 0.000 0.585 103 N N 1.912 120.610 118.700 -0.002 0.000 2.443 103 N HA -0.083 4.316 4.740 -0.569 0.000 0.184 103 N C -0.023 175.462 175.510 -0.041 0.000 1.037 103 N CA 0.870 53.873 53.050 -0.080 0.000 0.896 103 N CB 0.317 38.700 38.487 -0.173 0.000 0.959 103 N HN 0.435 nan 8.380 nan 0.000 0.442 104 D N -1.414 119.030 120.400 0.073 0.000 2.648 104 D HA 0.276 4.575 4.640 -0.569 0.000 0.244 104 D C -1.654 174.847 176.300 0.336 0.000 1.244 104 D CA -0.576 53.495 54.000 0.118 0.000 0.772 104 D CB 1.395 42.235 40.800 0.067 0.000 1.379 104 D HN 0.139 nan 8.370 nan 0.000 0.428 105 Y N -0.934 119.543 120.300 0.295 0.000 2.581 105 Y HA 0.772 4.980 4.550 -0.569 0.000 0.345 105 Y C -1.164 174.928 175.900 0.320 0.000 1.036 105 Y CA -0.988 57.361 58.100 0.415 0.000 1.042 105 Y CB 1.888 40.669 38.460 0.534 0.000 1.289 105 Y HN 0.129 nan 8.280 nan 0.000 0.471 106 S N 2.209 118.214 115.700 0.509 0.000 2.750 106 S HA 0.587 4.716 4.470 -0.569 0.000 0.276 106 S C -1.873 173.086 174.600 0.598 0.000 1.165 106 S CA -0.588 57.876 58.200 0.440 0.000 1.047 106 S CB 0.592 63.998 63.200 0.344 0.000 1.056 106 S HN 0.724 nan 8.310 nan 0.000 0.481 107 V N 5.150 125.324 119.914 0.433 0.000 2.498 107 V HA 0.448 4.227 4.120 -0.569 0.000 0.279 107 V C 0.890 176.903 176.094 -0.135 0.000 1.048 107 V CA -0.539 61.893 62.300 0.221 0.000 0.967 107 V CB 1.340 33.238 31.823 0.124 0.000 0.988 107 V HN 1.011 nan 8.190 nan 0.000 0.473 108 S N 6.783 122.045 115.700 -0.731 0.000 2.566 108 S HA 0.135 4.263 4.470 -0.569 0.000 0.280 108 S C -1.122 173.199 174.600 -0.465 0.000 1.343 108 S CA -0.563 56.825 58.200 -1.354 0.000 1.036 108 S CB 0.591 62.784 63.200 -1.678 0.000 0.866 108 S HN 0.678 nan 8.310 nan 0.000 0.526 109 P HA -0.124 nan 4.420 nan 0.000 0.218 109 P C 0.653 177.907 177.300 -0.076 0.000 1.149 109 P CA 1.417 64.451 63.100 -0.110 0.000 0.817 109 P CB -0.252 31.413 31.700 -0.059 0.000 0.785 110 D N -0.809 119.534 120.400 -0.094 0.000 2.336 110 D HA -0.061 4.237 4.640 -0.569 0.000 0.229 110 D C 0.696 176.974 176.300 -0.036 0.000 1.061 110 D CA -0.236 53.745 54.000 -0.031 0.000 0.875 110 D CB -0.717 40.098 40.800 0.025 0.000 0.904 110 D HN -0.009 nan 8.370 nan 0.000 0.525 111 R N -1.093 119.372 120.500 -0.057 0.000 3.946 111 R HA -0.239 3.759 4.340 -0.569 0.000 0.329 111 R C 1.131 177.389 176.300 -0.070 0.000 1.209 111 R CA 1.311 57.420 56.100 0.015 0.000 0.909 111 R CB -2.237 28.130 30.300 0.111 0.000 1.355 111 R HN 0.351 nan 8.270 nan 0.000 0.539 112 Q N -1.135 118.542 119.800 -0.205 0.000 2.354 112 Q HA 0.119 4.117 4.340 -0.569 0.000 0.203 112 Q C -0.097 175.386 176.000 -0.862 0.000 0.933 112 Q CA 0.828 56.321 55.803 -0.518 0.000 0.901 112 Q CB 0.367 28.750 28.738 -0.591 0.000 1.007 112 Q HN 0.198 nan 8.270 nan 0.000 0.495 113 F N -0.960 118.868 119.950 -0.204 0.000 2.675 113 F HA 0.561 4.746 4.527 -0.569 0.000 0.324 113 F C -0.598 175.199 175.800 -0.004 0.000 1.106 113 F CA -1.180 56.758 58.000 -0.104 0.000 0.970 113 F CB 1.639 40.609 39.000 -0.051 0.000 1.385 113 F HN -0.244 nan 8.300 nan 0.000 0.489 114 I N 1.568 122.358 120.570 0.366 0.000 2.752 114 I HA 0.502 4.330 4.170 -0.569 0.000 0.295 114 I C -2.075 174.157 176.117 0.192 0.000 1.219 114 I CA -0.894 60.572 61.300 0.277 0.000 1.030 114 I CB 1.808 39.857 38.000 0.082 0.000 1.259 114 I HN 0.422 nan 8.210 nan 0.000 0.423 115 L N 7.325 128.737 121.223 0.316 0.000 2.307 115 L HA 0.542 4.540 4.340 -0.569 0.000 0.284 115 L C -1.324 175.706 176.870 0.266 0.000 1.023 115 L CA 0.063 55.029 54.840 0.210 0.000 0.810 115 L CB 1.278 43.446 42.059 0.181 0.000 1.231 115 L HN 0.363 nan 8.230 nan 0.000 0.423 116 F N 3.094 123.280 119.950 0.393 0.000 2.402 116 F HA 0.370 4.555 4.527 -0.570 0.000 0.355 116 F C 0.404 176.411 175.800 0.345 0.000 1.123 116 F CA -0.774 57.453 58.000 0.378 0.000 1.021 116 F CB 1.493 40.676 39.000 0.306 0.000 1.160 116 F HN 0.433 nan 8.300 nan 0.000 0.451 117 E N 5.102 125.567 120.200 0.443 0.000 2.174 117 E HA 0.361 4.370 4.350 -0.569 0.000 0.282 117 E C -1.547 175.134 176.600 0.135 0.000 0.992 117 E CA -0.512 55.894 56.400 0.011 0.000 0.803 117 E CB 1.182 30.914 29.700 0.053 0.000 1.090 117 E HN 0.586 nan 8.360 nan 0.000 0.396 118 Y N 1.880 122.099 120.300 -0.135 0.000 2.705 118 Y HA 0.396 4.604 4.550 -0.569 0.000 0.332 118 Y C -0.309 175.640 175.900 0.081 0.000 1.221 118 Y CA -1.401 56.720 58.100 0.034 0.000 1.059 118 Y CB 0.517 39.035 38.460 0.096 0.000 1.298 118 Y HN 0.602 nan 8.280 nan 0.000 0.459 119 N N -0.102 118.778 118.700 0.300 0.000 2.783 119 N HA -0.277 4.122 4.740 -0.569 0.000 0.247 119 N C -1.353 174.174 175.510 0.028 0.000 1.089 119 N CA 0.728 53.883 53.050 0.175 0.000 0.690 119 N CB -1.614 36.917 38.487 0.073 0.000 0.991 119 N HN 0.888 nan 8.380 nan 0.000 0.552 120 Y N -0.008 120.233 120.300 -0.099 0.000 2.632 120 Y HA 0.310 4.518 4.550 -0.570 0.000 0.329 120 Y C 0.079 175.927 175.900 -0.087 0.000 1.174 120 Y CA 0.333 58.350 58.100 -0.137 0.000 1.469 120 Y CB 0.573 38.902 38.460 -0.218 0.000 1.242 120 Y HN 0.039 nan 8.280 nan 0.000 0.540 121 V N 8.053 127.807 119.914 -0.266 0.000 2.419 121 V HA 0.182 3.960 4.120 -0.569 0.000 0.287 121 V C -0.202 175.718 176.094 -0.290 0.000 1.017 121 V CA -1.373 60.826 62.300 -0.169 0.000 0.844 121 V CB 1.181 32.944 31.823 -0.101 0.000 1.011 121 V HN 0.712 nan 8.190 nan 0.000 0.429 122 K N 3.608 123.891 120.400 -0.194 0.000 2.414 122 K HA 0.211 4.189 4.320 -0.569 0.000 0.272 122 K C 0.369 176.862 176.600 -0.178 0.000 0.993 122 K CA 0.298 56.507 56.287 -0.129 0.000 0.964 122 K CB 1.195 33.748 32.500 0.088 0.000 0.925 122 K HN 0.810 nan 8.250 nan 0.000 0.487 123 Q N 2.512 122.165 119.800 -0.245 0.000 2.175 123 Q HA 0.179 4.177 4.340 -0.569 0.000 0.177 123 Q C -0.013 175.801 176.000 -0.309 0.000 0.636 123 Q CA -0.472 54.990 55.803 -0.568 0.000 0.657 123 Q CB 0.194 28.379 28.738 -0.923 0.000 1.760 123 Q HN 0.740 nan 8.270 nan 0.000 0.417 124 W N 0.392 121.690 121.300 -0.003 0.000 1.836 124 W HA 0.388 4.703 4.660 -0.574 0.000 0.628 124 W C 1.853 178.369 176.519 -0.005 0.000 1.626 124 W CA -0.709 56.665 57.345 0.050 0.000 1.714 124 W CB -0.126 29.327 29.460 -0.011 0.000 3.166 124 W HN 0.270 nan 8.180 nan 0.000 0.772 125 R N -0.611 120.003 120.500 0.189 0.000 2.073 125 R HA -0.120 3.878 4.340 -0.569 0.000 0.229 125 R C 1.756 177.926 176.300 -0.217 0.000 1.120 125 R CA 1.589 57.635 56.100 -0.090 0.000 0.967 125 R CB -0.342 29.771 30.300 -0.312 0.000 0.862 125 R HN 0.492 nan 8.270 nan 0.000 0.436 126 H N -1.088 118.048 119.070 0.110 0.000 2.695 126 H HA 0.154 4.369 4.556 -0.567 0.000 0.267 126 H C 0.727 176.115 175.328 0.100 0.000 0.973 126 H CA 0.510 56.641 56.048 0.137 0.000 1.223 126 H CB 0.255 30.083 29.762 0.109 0.000 1.442 126 H HN 0.148 nan 8.280 nan 0.000 0.478 127 S N 1.204 116.865 115.700 -0.064 0.000 2.593 127 S HA 0.365 4.493 4.470 -0.569 0.000 0.269 127 S C -0.308 174.092 174.600 -0.333 0.000 1.334 127 S CA -0.399 57.439 58.200 -0.604 0.000 1.015 127 S CB 0.762 63.052 63.200 -1.516 0.000 0.912 127 S HN 0.452 nan 8.310 nan 0.000 0.541 128 Y N -2.737 117.347 120.300 -0.360 0.000 2.841 128 Y HA 0.576 4.784 4.550 -0.571 0.000 0.373 128 Y C -0.887 174.919 175.900 -0.158 0.000 1.170 128 Y CA -0.830 57.051 58.100 -0.364 0.000 1.196 128 Y CB 0.312 38.383 38.460 -0.649 0.000 1.433 128 Y HN 0.951 nan 8.280 nan 0.000 0.479 129 T N 0.082 114.667 114.554 0.050 0.000 2.932 129 T HA 1.033 5.042 4.350 -0.569 0.000 0.289 129 T C -0.450 174.322 174.700 0.121 0.000 1.039 129 T CA -0.062 62.103 62.100 0.108 0.000 1.024 129 T CB 1.795 70.691 68.868 0.047 0.000 1.090 129 T HN 1.957 nan 8.240 nan 0.000 0.496 130 A N 1.019 123.910 122.820 0.119 0.000 2.557 130 A HA 0.797 4.775 4.320 -0.569 0.000 0.292 130 A C -0.611 176.824 177.584 -0.249 0.000 1.139 130 A CA -0.975 50.999 52.037 -0.106 0.000 0.665 130 A CB 1.105 19.995 19.000 -0.184 0.000 1.285 130 A HN 0.868 nan 8.150 nan 0.000 0.433 131 S N -0.758 114.566 115.700 -0.626 0.000 2.593 131 S HA 0.810 4.938 4.470 -0.569 0.000 0.297 131 S C -1.603 172.464 174.600 -0.888 0.000 1.112 131 S CA -0.078 57.714 58.200 -0.681 0.000 1.043 131 S CB 0.726 63.343 63.200 -0.971 0.000 1.054 131 S HN 0.443 nan 8.310 nan 0.000 0.516 132 Y N 0.189 120.368 120.300 -0.202 0.000 2.492 132 Y HA 0.453 4.661 4.550 -0.570 0.000 0.346 132 Y C -0.417 175.571 175.900 0.146 0.000 0.997 132 Y CA -0.988 57.126 58.100 0.024 0.000 1.025 132 Y CB 1.628 40.030 38.460 -0.096 0.000 1.263 132 Y HN 0.475 nan 8.280 nan 0.000 0.454 133 D N 2.699 123.357 120.400 0.429 0.000 2.481 133 D HA 0.528 4.826 4.640 -0.569 0.000 0.244 133 D C -0.765 175.666 176.300 0.218 0.000 1.057 133 D CA -0.303 53.886 54.000 0.316 0.000 0.848 133 D CB 2.438 43.469 40.800 0.385 0.000 1.388 133 D HN 0.408 nan 8.370 nan 0.000 0.475 134 I N 1.981 122.631 120.570 0.134 0.000 2.354 134 I HA 0.235 4.063 4.170 -0.569 0.000 0.292 134 I C -0.795 175.426 176.117 0.174 0.000 0.989 134 I CA -0.947 60.422 61.300 0.115 0.000 1.188 134 I CB 1.175 39.201 38.000 0.043 0.000 1.342 134 I HN 0.225 nan 8.210 nan 0.000 0.457 135 Y N 5.564 125.859 120.300 -0.008 0.000 2.328 135 Y HA 0.256 4.464 4.550 -0.569 0.000 0.337 135 Y C -0.041 175.922 175.900 0.106 0.000 0.966 135 Y CA -0.718 57.380 58.100 -0.003 0.000 1.136 135 Y CB 1.056 39.406 38.460 -0.184 0.000 1.170 135 Y HN 0.497 nan 8.280 nan 0.000 0.470 136 D N 6.650 126.900 120.400 -0.251 0.000 2.344 136 D HA 0.045 4.344 4.640 -0.569 0.000 0.253 136 D C 0.860 176.847 176.300 -0.521 0.000 1.255 136 D CA 0.441 54.277 54.000 -0.273 0.000 0.894 136 D CB 0.831 41.515 40.800 -0.193 0.000 1.067 136 D HN 0.874 nan 8.370 nan 0.000 0.492 137 L N 3.552 124.543 121.223 -0.386 0.000 2.275 137 L HA -0.143 3.855 4.340 -0.569 0.000 0.215 137 L C 2.045 178.727 176.870 -0.313 0.000 1.119 137 L CA 0.426 55.107 54.840 -0.266 0.000 0.790 137 L CB -0.249 41.665 42.059 -0.242 0.000 0.919 137 L HN 0.361 nan 8.230 nan 0.000 0.443 138 N N 1.326 119.797 118.700 -0.382 0.000 2.131 138 N HA -0.136 4.262 4.740 -0.569 0.000 0.190 138 N C 1.509 176.876 175.510 -0.239 0.000 1.055 138 N CA 1.305 54.180 53.050 -0.292 0.000 0.853 138 N CB -0.291 38.015 38.487 -0.303 0.000 1.035 138 N HN 0.385 nan 8.380 nan 0.000 0.440 139 K N 1.688 121.941 120.400 -0.245 0.000 2.611 139 K HA 0.116 4.094 4.320 -0.569 0.000 0.193 139 K C -0.219 176.243 176.600 -0.231 0.000 1.026 139 K CA 0.075 56.245 56.287 -0.195 0.000 1.063 139 K CB -0.127 32.277 32.500 -0.161 0.000 0.839 139 K HN 0.060 nan 8.250 nan 0.000 0.505 140 R N 1.381 121.700 120.500 -0.300 0.000 3.211 140 R HA -0.227 3.772 4.340 -0.569 0.000 0.240 140 R C -0.620 175.422 176.300 -0.430 0.000 0.915 140 R CA 0.904 56.799 56.100 -0.341 0.000 0.621 140 R CB -1.692 28.555 30.300 -0.088 0.000 1.008 140 R HN 0.634 nan 8.270 nan 0.000 0.471 141 Q N -0.220 119.222 119.800 -0.597 0.000 2.852 141 Q HA 0.680 4.679 4.340 -0.569 0.000 0.262 141 Q C -0.460 175.242 176.000 -0.497 0.000 1.051 141 Q CA -1.097 54.479 55.803 -0.378 0.000 0.894 141 Q CB 1.567 30.187 28.738 -0.197 0.000 1.381 141 Q HN 0.259 nan 8.270 nan 0.000 0.501 142 L N 1.643 122.789 121.223 -0.129 0.000 2.372 142 L HA 0.409 4.407 4.340 -0.569 0.000 0.273 142 L C -1.251 175.632 176.870 0.021 0.000 0.989 142 L CA -0.950 53.910 54.840 0.033 0.000 0.841 142 L CB 1.011 43.182 42.059 0.187 0.000 1.225 142 L HN 0.536 nan 8.230 nan 0.000 0.414 143 I N 4.194 124.780 120.570 0.028 0.000 2.828 143 I HA -0.091 3.737 4.170 -0.569 0.000 0.292 143 I C 1.574 177.701 176.117 0.017 0.000 1.206 143 I CA 1.033 62.343 61.300 0.017 0.000 1.420 143 I CB 0.962 38.967 38.000 0.009 0.000 1.368 143 I HN 0.736 nan 8.210 nan 0.000 0.556 144 T N 1.616 116.171 114.554 0.002 0.000 2.978 144 T HA 0.149 4.158 4.350 -0.569 0.000 0.248 144 T C 0.500 175.192 174.700 -0.014 0.000 1.018 144 T CA -0.374 61.726 62.100 -0.000 0.000 1.026 144 T CB 0.026 68.893 68.868 -0.001 0.000 1.032 144 T HN 0.581 nan 8.240 nan 0.000 0.485 145 E N 1.969 122.158 120.200 -0.018 0.000 2.248 145 E HA 0.222 4.230 4.350 -0.569 0.000 0.272 145 E C -0.678 175.899 176.600 -0.038 0.000 1.008 145 E CA -0.507 55.878 56.400 -0.025 0.000 0.856 145 E CB 0.729 30.418 29.700 -0.018 0.000 1.120 145 E HN 0.136 nan 8.360 nan 0.000 0.397 146 E N 0.914 121.086 120.200 -0.047 0.000 2.252 146 E HA -0.206 3.802 4.350 -0.569 0.000 0.218 146 E C -0.442 176.104 176.600 -0.090 0.000 1.253 146 E CA 0.642 57.005 56.400 -0.063 0.000 0.705 146 E CB -1.276 28.398 29.700 -0.042 0.000 1.172 146 E HN 0.567 nan 8.360 nan 0.000 0.369 147 R N -0.316 120.123 120.500 -0.103 0.000 2.726 147 R HA 0.415 4.414 4.340 -0.569 0.000 0.272 147 R C 1.171 177.336 176.300 -0.225 0.000 1.097 147 R CA -0.526 55.500 56.100 -0.125 0.000 1.198 147 R CB 0.502 30.752 30.300 -0.084 0.000 1.114 147 R HN 0.093 nan 8.270 nan 0.000 0.550 148 I N 2.669 123.077 120.570 -0.270 0.000 2.441 148 I HA 0.115 3.943 4.170 -0.569 0.000 0.287 148 I C -1.751 174.097 176.117 -0.449 0.000 1.049 148 I CA -1.920 59.081 61.300 -0.497 0.000 1.381 148 I CB 0.778 38.475 38.000 -0.504 0.000 1.409 148 I HN 0.268 nan 8.210 nan 0.000 0.523 149 P HA -0.029 nan 4.420 nan 0.000 0.270 149 P C -0.852 176.267 177.300 -0.302 0.000 1.216 149 P CA -0.088 62.627 63.100 -0.641 0.000 0.788 149 P CB 0.393 31.278 31.700 -1.359 0.000 0.883 150 N N 1.561 120.173 118.700 -0.146 0.000 2.508 150 N HA 0.198 4.596 4.740 -0.569 0.000 0.285 150 N C -0.216 175.414 175.510 0.200 0.000 1.144 150 N CA -0.082 52.975 53.050 0.013 0.000 0.978 150 N CB -0.072 38.436 38.487 0.035 0.000 1.180 150 N HN 0.326 nan 8.380 nan 0.000 0.484 151 N N -0.554 118.236 118.700 0.151 0.000 2.815 151 N HA -0.167 4.231 4.740 -0.569 0.000 0.249 151 N C -1.043 174.648 175.510 0.302 0.000 1.114 151 N CA 0.599 53.764 53.050 0.192 0.000 0.717 151 N CB -1.887 36.715 38.487 0.191 0.000 1.074 151 N HN 0.468 nan 8.380 nan 0.000 0.555 152 T N 0.899 115.628 114.554 0.292 0.000 2.870 152 T HA 0.094 4.102 4.350 -0.569 0.000 0.300 152 T C 1.722 176.589 174.700 0.279 0.000 0.989 152 T CA 0.141 62.430 62.100 0.315 0.000 1.139 152 T CB 1.212 70.177 68.868 0.162 0.000 0.920 152 T HN 0.167 nan 8.240 nan 0.000 0.537 153 Q N 1.889 121.845 119.800 0.260 0.000 2.212 153 Q HA 0.126 4.124 4.340 -0.569 0.000 0.199 153 Q C 0.171 176.341 176.000 0.284 0.000 0.950 153 Q CA 0.559 56.521 55.803 0.264 0.000 0.863 153 Q CB 0.614 29.472 28.738 0.199 0.000 0.944 153 Q HN 0.694 nan 8.270 nan 0.000 0.465 154 W N -0.304 120.988 121.300 -0.012 0.000 3.464 154 W HA 0.527 4.845 4.660 -0.570 0.000 0.292 154 W C -2.324 174.144 176.519 -0.085 0.000 1.262 154 W CA -0.714 56.585 57.345 -0.077 0.000 1.202 154 W CB 1.023 30.382 29.460 -0.168 0.000 1.334 154 W HN -0.090 nan 8.180 nan 0.000 0.561 155 I N 4.019 123.994 120.570 -0.990 0.000 2.841 155 I HA 0.618 4.446 4.170 -0.569 0.000 0.298 155 I C -1.651 173.993 176.117 -0.788 0.000 1.304 155 I CA -0.036 60.847 61.300 -0.695 0.000 1.019 155 I CB 2.550 40.046 38.000 -0.840 0.000 1.282 155 I HN 0.362 nan 8.210 nan 0.000 0.432 156 T N 4.554 118.910 114.554 -0.331 0.000 3.047 156 T HA 0.412 4.420 4.350 -0.569 0.000 0.340 156 T C -1.637 173.083 174.700 0.033 0.000 1.421 156 T CA -0.303 61.730 62.100 -0.111 0.000 1.090 156 T CB 0.620 69.632 68.868 0.240 0.000 1.292 156 T HN 0.552 nan 8.240 nan 0.000 0.480 157 W N 2.666 123.998 121.300 0.052 0.000 2.086 157 W HA 0.497 4.816 4.660 -0.569 0.000 0.355 157 W C 1.203 177.559 176.519 -0.272 0.000 1.313 157 W CA -0.542 56.769 57.345 -0.057 0.000 1.358 157 W CB 0.569 30.008 29.460 -0.035 0.000 1.166 157 W HN 0.782 nan 8.180 nan 0.000 0.630 158 S N 0.482 115.937 115.700 -0.409 0.000 2.632 158 S HA 0.217 4.346 4.470 -0.569 0.000 0.267 158 S C -1.960 172.433 174.600 -0.345 0.000 1.276 158 S CA -1.064 56.463 58.200 -1.122 0.000 0.998 158 S CB 0.941 63.259 63.200 -1.471 0.000 0.953 158 S HN 0.240 nan 8.310 nan 0.000 0.547 159 P HA 0.018 nan 4.420 nan 0.000 0.222 159 P C 0.275 177.541 177.300 -0.057 0.000 1.147 159 P CA 0.816 63.895 63.100 -0.034 0.000 0.790 159 P CB -0.140 31.574 31.700 0.023 0.000 0.780 160 V N -7.193 112.639 119.914 -0.137 0.000 3.160 160 V HA 0.882 4.660 4.120 -0.569 0.000 0.310 160 V C 0.515 176.505 176.094 -0.174 0.000 1.181 160 V CA -0.421 61.810 62.300 -0.114 0.000 1.047 160 V CB 1.015 32.785 31.823 -0.089 0.000 1.068 160 V HN 0.346 nan 8.190 nan 0.000 0.441 161 G N 1.443 110.157 108.800 -0.144 0.000 2.564 161 G HA2 -0.203 3.416 3.960 -0.569 0.000 0.273 161 G HA3 -0.203 3.416 3.960 -0.569 0.000 0.273 161 G C 0.244 175.039 174.900 -0.175 0.000 1.242 161 G CA 0.861 45.840 45.100 -0.202 0.000 0.951 161 G HN 2.567 nan 8.290 nan 0.000 0.564 162 H N -0.546 118.490 119.070 -0.058 0.000 2.907 162 H HA 0.438 4.653 4.556 -0.570 0.000 0.233 162 H C 0.370 175.838 175.328 0.234 0.000 1.285 162 H CA -0.161 55.881 56.048 -0.010 0.000 0.981 162 H CB -0.164 29.620 29.762 0.036 0.000 2.255 162 H HN 0.513 nan 8.280 nan 0.000 0.601 163 K N 1.438 121.857 120.400 0.032 0.000 2.138 163 K HA 0.527 4.506 4.320 -0.569 0.000 0.251 163 K C -0.380 176.326 176.600 0.176 0.000 1.015 163 K CA -0.409 55.897 56.287 0.032 0.000 0.917 163 K CB 1.496 33.852 32.500 -0.238 0.000 1.021 163 K HN 0.126 nan 8.250 nan 0.000 0.485 164 L N 0.590 121.915 121.223 0.170 0.000 2.422 164 L HA 0.594 4.592 4.340 -0.569 0.000 0.264 164 L C -1.175 175.876 176.870 0.302 0.000 0.984 164 L CA -0.857 54.044 54.840 0.103 0.000 0.819 164 L CB 2.232 44.200 42.059 -0.153 0.000 1.330 164 L HN 0.724 nan 8.230 nan 0.000 0.410 165 A N 2.337 125.350 122.820 0.323 0.000 2.393 165 A HA 0.874 4.852 4.320 -0.569 0.000 0.306 165 A C -1.730 175.931 177.584 0.130 0.000 1.050 165 A CA -0.387 51.764 52.037 0.191 0.000 0.724 165 A CB 1.463 20.547 19.000 0.139 0.000 1.248 165 A HN 0.670 nan 8.150 nan 0.000 0.424 166 Y N -0.916 119.378 120.300 -0.010 0.000 2.609 166 Y HA 0.734 4.943 4.550 -0.570 0.000 0.336 166 Y C -1.430 174.515 175.900 0.075 0.000 1.129 166 Y CA -1.528 56.553 58.100 -0.031 0.000 1.040 166 Y CB 0.973 39.340 38.460 -0.156 0.000 1.310 166 Y HN 0.446 nan 8.280 nan 0.000 0.460 167 V N 2.169 122.255 119.914 0.286 0.000 2.448 167 V HA 0.400 4.179 4.120 -0.569 0.000 0.295 167 V C -1.455 174.878 176.094 0.400 0.000 1.025 167 V CA -0.567 61.866 62.300 0.222 0.000 0.859 167 V CB 1.356 33.219 31.823 0.066 0.000 0.988 167 V HN 0.868 nan 8.190 nan 0.000 0.431 168 W N 5.125 126.548 121.300 0.205 0.000 3.042 168 W HA 0.468 4.787 4.660 -0.568 0.000 0.337 168 W C 0.238 176.826 176.519 0.114 0.000 1.086 168 W CA -0.761 56.671 57.345 0.145 0.000 1.236 168 W CB 1.198 30.715 29.460 0.095 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.345 123.679 118.700 -0.609 0.000 2.735 169 N HA -0.342 4.056 4.740 -0.569 0.000 0.248 169 N C 0.143 175.477 175.510 -0.292 0.000 1.083 169 N CA 1.086 53.766 53.050 -0.617 0.000 0.703 169 N CB -1.155 36.704 38.487 -1.047 0.000 1.005 169 N HN 0.873 nan 8.380 nan 0.000 0.550 170 N N -1.640 116.959 118.700 -0.168 0.000 2.800 170 N HA -0.173 4.225 4.740 -0.569 0.000 0.250 170 N C -1.363 174.070 175.510 -0.129 0.000 1.078 170 N CA 1.062 54.034 53.050 -0.131 0.000 0.804 170 N CB -0.285 38.072 38.487 -0.217 0.000 1.135 170 N HN 0.424 nan 8.380 nan 0.000 0.565 171 D N 0.282 120.621 120.400 -0.101 0.000 2.419 171 D HA 0.502 4.800 4.640 -0.569 0.000 0.234 171 D C 0.071 176.221 176.300 -0.250 0.000 1.014 171 D CA -0.373 53.485 54.000 -0.236 0.000 0.919 171 D CB 1.663 42.268 40.800 -0.326 0.000 1.366 171 D HN 0.010 nan 8.370 nan 0.000 0.490 172 I N 1.288 121.536 120.570 -0.536 0.000 2.428 172 I HA 0.296 4.125 4.170 -0.569 0.000 0.296 172 I C -0.790 174.853 176.117 -0.791 0.000 0.985 172 I CA -0.562 60.415 61.300 -0.538 0.000 1.260 172 I CB 0.729 38.338 38.000 -0.651 0.000 1.389 172 I HN 0.160 nan 8.210 nan 0.000 0.484 173 Y N 3.813 123.721 120.300 -0.653 0.000 2.512 173 Y HA 0.639 4.847 4.550 -0.570 0.000 0.348 173 Y C -0.407 175.145 175.900 -0.580 0.000 0.990 173 Y CA -0.944 56.726 58.100 -0.716 0.000 1.033 173 Y CB 2.128 39.899 38.460 -1.149 0.000 1.259 173 Y HN 0.110 nan 8.280 nan 0.000 0.461 174 V N 2.763 122.569 119.914 -0.180 0.000 2.588 174 V HA 0.483 4.261 4.120 -0.569 0.000 0.304 174 V C -0.904 175.224 176.094 0.057 0.000 1.042 174 V CA -1.424 60.861 62.300 -0.025 0.000 0.877 174 V CB 2.005 33.835 31.823 0.013 0.000 0.996 174 V HN 0.620 nan 8.190 nan 0.000 0.425 175 K N 3.226 123.697 120.400 0.120 0.000 2.450 175 K HA 0.447 4.426 4.320 -0.569 0.000 0.257 175 K C 0.470 177.137 176.600 0.111 0.000 0.953 175 K CA -0.334 56.015 56.287 0.104 0.000 0.844 175 K CB 1.664 34.219 32.500 0.093 0.000 1.103 175 K HN 0.616 nan 8.250 nan 0.000 0.429 176 N N 1.383 120.139 118.700 0.094 0.000 2.331 176 N HA -0.080 4.318 4.740 -0.569 0.000 0.180 176 N C -0.367 175.210 175.510 0.111 0.000 1.019 176 N CA 0.785 53.886 53.050 0.085 0.000 0.881 176 N CB 0.411 38.938 38.487 0.066 0.000 0.972 176 N HN 0.435 nan 8.380 nan 0.000 0.435 177 E N -0.687 119.567 120.200 0.090 0.000 2.272 177 E HA 0.188 4.196 4.350 -0.569 0.000 0.269 177 E C -2.020 174.551 176.600 -0.049 0.000 0.877 177 E CA -1.904 54.538 56.400 0.069 0.000 0.755 177 E CB 1.963 31.704 29.700 0.068 0.000 1.192 177 E HN -0.148 nan 8.360 nan 0.000 0.422 178 P HA -0.181 nan 4.420 nan 0.000 0.217 178 P C 0.820 178.031 177.300 -0.148 0.000 1.148 178 P CA 1.366 64.298 63.100 -0.280 0.000 0.828 178 P CB 0.323 31.614 31.700 -0.681 0.000 0.783 179 N N -2.056 116.585 118.700 -0.100 0.000 2.299 179 N HA 0.002 4.400 4.740 -0.569 0.000 0.187 179 N C 0.355 175.852 175.510 -0.023 0.000 1.099 179 N CA 0.312 53.335 53.050 -0.045 0.000 0.867 179 N CB -0.086 38.391 38.487 -0.017 0.000 0.974 179 N HN 0.103 nan 8.380 nan 0.000 0.477 180 L N 1.442 122.657 121.223 -0.013 0.000 2.416 180 L HA 0.304 4.303 4.340 -0.569 0.000 0.262 180 L C 0.431 177.306 176.870 0.007 0.000 1.093 180 L CA -0.297 54.547 54.840 0.006 0.000 0.801 180 L CB 1.441 43.514 42.059 0.024 0.000 1.191 180 L HN 0.001 nan 8.230 nan 0.000 0.459 181 S N 0.705 116.414 115.700 0.015 0.000 2.549 181 S HA 0.120 4.248 4.470 -0.569 0.000 0.283 181 S C 0.381 175.006 174.600 0.042 0.000 1.320 181 S CA -0.523 57.689 58.200 0.020 0.000 1.058 181 S CB 0.675 63.890 63.200 0.024 0.000 0.882 181 S HN 0.683 nan 8.310 nan 0.000 0.498 182 S N 2.387 118.122 115.700 0.057 0.000 2.593 182 S HA 0.336 4.465 4.470 -0.569 0.000 0.269 182 S C -0.400 174.253 174.600 0.089 0.000 1.334 182 S CA -0.695 57.559 58.200 0.091 0.000 1.015 182 S CB 0.668 63.959 63.200 0.152 0.000 0.912 182 S HN 0.664 nan 8.310 nan 0.000 0.541 183 Q N 0.844 120.675 119.800 0.053 0.000 2.322 183 Q HA 0.371 4.370 4.340 -0.569 0.000 0.265 183 Q C -0.556 175.365 176.000 -0.132 0.000 0.985 183 Q CA -0.478 55.329 55.803 0.007 0.000 0.849 183 Q CB 1.247 29.988 28.738 0.006 0.000 1.274 183 Q HN 0.729 nan 8.270 nan 0.000 0.449 184 R N 4.764 125.117 120.500 -0.246 0.000 2.347 184 R HA 0.141 4.139 4.340 -0.569 0.000 0.304 184 R C 0.168 176.093 176.300 -0.624 0.000 1.072 184 R CA -0.074 55.562 56.100 -0.773 0.000 0.980 184 R CB 0.472 30.115 30.300 -1.094 0.000 0.986 184 R HN 0.783 nan 8.270 nan 0.000 0.448 185 I N 1.998 122.129 120.570 -0.731 0.000 3.081 185 I HA -0.025 3.803 4.170 -0.569 0.000 0.274 185 I C 1.115 176.939 176.117 -0.489 0.000 1.178 185 I CA 0.959 61.970 61.300 -0.482 0.000 1.460 185 I CB -0.401 37.304 38.000 -0.493 0.000 1.137 185 I HN 0.602 nan 8.210 nan 0.000 0.443 186 T N -3.903 110.195 114.554 -0.759 0.000 2.906 186 T HA 0.403 4.412 4.350 -0.569 0.000 0.295 186 T C -0.628 173.594 174.700 -0.796 0.000 1.061 186 T CA -0.537 61.228 62.100 -0.558 0.000 1.000 186 T CB 1.877 70.471 68.868 -0.457 0.000 1.103 186 T HN 0.146 nan 8.240 nan 0.000 0.486 187 W N 0.042 121.232 121.300 -0.183 0.000 2.714 187 W HA 0.222 4.540 4.660 -0.569 0.000 0.353 187 W C 2.051 178.512 176.519 -0.096 0.000 0.999 187 W CA 0.062 57.332 57.345 -0.126 0.000 1.629 187 W CB -0.063 29.340 29.460 -0.094 0.000 1.106 187 W HN 0.899 nan 8.180 nan 0.000 0.545 188 T N -2.197 112.389 114.554 0.054 0.000 3.113 188 T HA 0.213 4.222 4.350 -0.569 0.000 0.256 188 T C 1.371 176.054 174.700 -0.029 0.000 1.131 188 T CA 0.354 62.471 62.100 0.027 0.000 1.074 188 T CB -0.437 68.450 68.868 0.032 0.000 0.944 188 T HN 0.035 nan 8.240 nan 0.000 0.516 189 G N 1.319 110.069 108.800 -0.083 0.000 2.187 189 G HA2 0.283 3.902 3.960 -0.569 0.000 0.239 189 G HA3 0.283 3.902 3.960 -0.569 0.000 0.239 189 G C -0.536 174.288 174.900 -0.127 0.000 1.200 189 G CA -0.282 44.742 45.100 -0.126 0.000 0.888 189 G HN 0.611 nan 8.290 nan 0.000 0.482 190 K N 1.818 122.112 120.400 -0.176 0.000 2.575 190 K HA 0.160 4.138 4.320 -0.569 0.000 0.255 190 K C -0.314 176.145 176.600 -0.235 0.000 0.953 190 K CA -0.685 55.505 56.287 -0.161 0.000 0.840 190 K CB 1.578 34.021 32.500 -0.094 0.000 1.303 190 K HN 0.644 nan 8.250 nan 0.000 0.438 191 E N 3.456 123.538 120.200 -0.196 0.000 2.652 191 E HA -0.150 3.859 4.350 -0.569 0.000 0.255 191 E C -0.399 176.119 176.600 -0.137 0.000 0.952 191 E CA 1.133 57.423 56.400 -0.183 0.000 0.947 191 E CB -0.016 29.615 29.700 -0.115 0.000 0.912 191 E HN 0.758 nan 8.360 nan 0.000 0.489 192 N N 1.686 120.309 118.700 -0.130 0.000 2.753 192 N HA -0.260 4.138 4.740 -0.569 0.000 0.251 192 N C -0.002 175.554 175.510 0.078 0.000 1.097 192 N CA 0.478 53.569 53.050 0.068 0.000 0.786 192 N CB -0.461 38.078 38.487 0.087 0.000 1.137 192 N HN 0.303 nan 8.380 nan 0.000 0.566 193 V N -1.118 118.755 119.914 -0.068 0.000 3.415 193 V HA 0.272 4.051 4.120 -0.569 0.000 0.204 193 V C 0.135 176.264 176.094 0.059 0.000 1.365 193 V CA 0.372 62.694 62.300 0.037 0.000 1.310 193 V CB 0.721 32.545 31.823 0.003 0.000 1.231 193 V HN 0.080 nan 8.190 nan 0.000 0.538 194 I N 0.938 121.446 120.570 -0.103 0.000 2.406 194 I HA 0.485 4.313 4.170 -0.569 0.000 0.290 194 I C -1.527 174.505 176.117 -0.142 0.000 0.999 194 I CA -0.532 60.769 61.300 0.001 0.000 1.124 194 I CB 1.282 39.286 38.000 0.006 0.000 1.289 194 I HN 0.240 nan 8.210 nan 0.000 0.441 195 Y N 4.473 124.844 120.300 0.118 0.000 2.326 195 Y HA 0.408 4.615 4.550 -0.571 0.000 0.331 195 Y C 0.244 176.205 175.900 0.102 0.000 0.962 195 Y CA -0.825 57.347 58.100 0.119 0.000 1.167 195 Y CB 1.259 39.842 38.460 0.205 0.000 1.148 195 Y HN 0.404 nan 8.280 nan 0.000 0.463 196 N N 2.188 120.957 118.700 0.117 0.000 2.446 196 N HA 0.397 4.796 4.740 -0.569 0.000 0.265 196 N C 0.792 176.270 175.510 -0.053 0.000 0.975 196 N CA 0.430 53.502 53.050 0.037 0.000 0.928 196 N CB 1.878 40.277 38.487 -0.148 0.000 1.160 196 N HN 0.985 nan 8.380 nan 0.000 0.495 197 G N 0.488 109.295 108.800 0.012 0.000 2.217 197 G HA2 -0.271 3.348 3.960 -0.569 0.000 0.246 197 G HA3 -0.271 3.348 3.960 -0.569 0.000 0.246 197 G C -0.030 174.751 174.900 -0.198 0.000 0.990 197 G CA 0.568 45.593 45.100 -0.125 0.000 0.627 197 G HN 0.687 nan 8.290 nan 0.000 0.522 198 V N -1.661 118.183 119.914 -0.117 0.000 3.078 198 V HA 0.928 4.706 4.120 -0.569 0.000 0.311 198 V C 0.357 176.409 176.094 -0.071 0.000 1.138 198 V CA -0.023 62.077 62.300 -0.334 0.000 1.007 198 V CB 1.397 32.745 31.823 -0.793 0.000 1.045 198 V HN 1.142 nan 8.190 nan 0.000 0.432 199 T N -0.008 114.405 114.554 -0.235 0.000 2.882 199 T HA 0.471 4.479 4.350 -0.569 0.000 0.287 199 T C -0.109 174.249 174.700 -0.570 0.000 1.014 199 T CA -0.133 61.607 62.100 -0.600 0.000 1.049 199 T CB 1.037 69.589 68.868 -0.527 0.000 1.001 199 T HN 1.090 nan 8.240 nan 0.000 0.525 200 D N 0.127 119.945 120.400 -0.971 0.000 2.478 200 D HA 0.033 4.331 4.640 -0.569 0.000 0.274 200 D C 0.950 177.062 176.300 -0.313 0.000 1.234 200 D CA -1.091 52.366 54.000 -0.905 0.000 1.069 200 D CB 0.080 40.383 40.800 -0.829 0.000 1.113 200 D HN 0.695 nan 8.370 nan 0.000 0.571 201 W N 0.043 121.208 121.300 -0.226 0.000 2.335 201 W HA -0.199 4.125 4.660 -0.560 0.000 0.311 201 W C 2.140 178.505 176.519 -0.257 0.000 1.213 201 W CA 2.136 59.364 57.345 -0.195 0.000 1.274 201 W CB -0.429 28.871 29.460 -0.266 0.000 1.148 201 W HN 0.180 nan 8.180 nan 0.000 0.498 202 V N -0.152 119.747 119.914 -0.025 0.000 2.548 202 V HA -0.279 3.499 4.120 -0.569 0.000 0.249 202 V C 1.823 177.668 176.094 -0.415 0.000 1.055 202 V CA 1.868 64.049 62.300 -0.199 0.000 1.065 202 V CB -0.697 31.064 31.823 -0.103 0.000 0.681 202 V HN 0.273 nan 8.190 nan 0.000 0.462 203 Y N 0.476 120.462 120.300 -0.524 0.000 2.314 203 Y HA -0.111 4.097 4.550 -0.570 0.000 0.293 203 Y C 2.546 178.144 175.900 -0.505 0.000 1.129 203 Y CA 1.913 59.636 58.100 -0.628 0.000 1.201 203 Y CB -0.016 37.794 38.460 -1.083 0.000 0.999 203 Y HN 0.367 nan 8.280 nan 0.000 0.541 204 E N 0.203 120.207 120.200 -0.326 0.000 2.047 204 E HA -0.266 3.742 4.350 -0.569 0.000 0.191 204 E C 1.974 178.459 176.600 -0.191 0.000 0.987 204 E CA 1.456 57.742 56.400 -0.190 0.000 0.799 204 E CB 0.058 29.666 29.700 -0.154 0.000 0.752 204 E HN 0.358 nan 8.360 nan 0.000 0.449 205 E N 0.243 120.140 120.200 -0.504 0.000 2.076 205 E HA -0.144 3.864 4.350 -0.569 0.000 0.190 205 E C 1.648 178.099 176.600 -0.248 0.000 0.979 205 E CA 1.426 57.542 56.400 -0.473 0.000 0.807 205 E CB 0.186 29.254 29.700 -1.053 0.000 0.761 205 E HN 0.211 nan 8.360 nan 0.000 0.454 206 E N -0.845 119.185 120.200 -0.282 0.000 2.372 206 E HA 0.092 4.101 4.350 -0.569 0.000 0.201 206 E C 1.879 178.386 176.600 -0.155 0.000 0.938 206 E CA 0.477 56.780 56.400 -0.161 0.000 0.944 206 E CB 0.746 30.339 29.700 -0.179 0.000 0.937 206 E HN 0.193 nan 8.360 nan 0.000 0.495 207 V N 0.068 119.847 119.914 -0.224 0.000 2.599 207 V HA 0.021 3.800 4.120 -0.569 0.000 0.237 207 V C 1.691 177.949 176.094 0.273 0.000 1.081 207 V CA 0.776 63.018 62.300 -0.095 0.000 1.107 207 V CB -0.276 31.306 31.823 -0.401 0.000 0.808 207 V HN 0.028 nan 8.190 nan 0.000 0.486 208 F N 0.703 120.633 119.950 -0.034 0.000 2.569 208 F HA 0.271 4.457 4.527 -0.568 0.000 0.295 208 F C 1.738 177.499 175.800 -0.066 0.000 1.115 208 F CA 0.094 58.102 58.000 0.013 0.000 1.450 208 F CB -0.805 38.238 39.000 0.071 0.000 1.107 208 F HN 0.157 nan 8.300 nan 0.000 0.563 209 S N -0.046 115.703 115.700 0.081 0.000 3.587 209 S HA 0.004 4.132 4.470 -0.569 0.000 0.337 209 S C 0.156 174.442 174.600 -0.523 0.000 1.119 209 S CA 0.496 58.632 58.200 -0.107 0.000 0.976 209 S CB -1.710 61.462 63.200 -0.046 0.000 0.922 209 S HN 0.670 nan 8.310 nan 0.000 0.503 210 A N -0.729 121.959 122.820 -0.221 0.000 2.601 210 A HA 0.722 4.700 4.320 -0.569 0.000 0.291 210 A C -0.390 177.222 177.584 0.046 0.000 1.075 210 A CA -0.423 51.502 52.037 -0.187 0.000 0.671 210 A CB 0.296 19.228 19.000 -0.114 0.000 1.277 210 A HN 0.373 nan 8.150 nan 0.000 0.417 211 Y N 1.048 121.254 120.300 -0.156 0.000 2.476 211 Y HA 0.267 4.477 4.550 -0.567 0.000 0.283 211 Y C 1.491 177.194 175.900 -0.329 0.000 1.109 211 Y CA 0.775 58.776 58.100 -0.164 0.000 1.246 211 Y CB 0.037 38.438 38.460 -0.098 0.000 1.068 211 Y HN 0.688 nan 8.280 nan 0.000 0.552 212 S N 0.644 115.969 115.700 -0.625 0.000 2.560 212 S HA 0.428 4.556 4.470 -0.569 0.000 0.284 212 S C 0.389 174.659 174.600 -0.549 0.000 1.327 212 S CA 0.335 57.875 58.200 -1.100 0.000 1.055 212 S CB 0.487 62.677 63.200 -1.683 0.000 0.868 212 S HN 0.464 nan 8.310 nan 0.000 0.506 213 A N 5.185 127.604 122.820 -0.669 0.000 2.709 213 A HA 0.472 4.451 4.320 -0.569 0.000 0.241 213 A C -0.544 176.380 177.584 -1.101 0.000 0.879 213 A CA -0.456 51.224 52.037 -0.596 0.000 1.120 213 A CB 0.029 19.061 19.000 0.053 0.000 1.226 213 A HN 0.688 nan 8.150 nan 0.000 0.468 214 L N 0.280 120.725 121.223 -1.297 0.000 2.381 214 L HA 0.658 4.656 4.340 -0.569 0.000 0.268 214 L C -1.196 175.131 176.870 -0.905 0.000 0.997 214 L CA -0.630 53.724 54.840 -0.808 0.000 0.818 214 L CB 2.015 43.860 42.059 -0.357 0.000 1.310 214 L HN 0.433 nan 8.230 nan 0.000 0.416 215 W N 2.149 123.526 121.300 0.128 0.000 2.740 215 W HA 0.196 4.515 4.660 -0.570 0.000 0.316 215 W C -1.169 175.565 176.519 0.358 0.000 1.020 215 W CA -1.103 56.426 57.345 0.307 0.000 1.278 215 W CB 1.031 30.730 29.460 0.397 0.000 1.224 215 W HN 0.479 nan 8.180 nan 0.000 0.393 216 W N 2.388 123.893 121.300 0.342 0.000 2.150 216 W HA 0.244 4.563 4.660 -0.569 0.000 0.341 216 W C 1.328 177.660 176.519 -0.313 0.000 1.276 216 W CA 0.519 57.919 57.345 0.093 0.000 1.238 216 W CB 0.812 30.309 29.460 0.062 0.000 1.128 216 W HN 0.169 nan 8.180 nan 0.000 0.581 217 S N 2.046 117.500 115.700 -0.410 0.000 2.632 217 S HA 0.251 4.379 4.470 -0.569 0.000 0.267 217 S C -1.848 172.520 174.600 -0.388 0.000 1.276 217 S CA -1.098 56.352 58.200 -1.250 0.000 0.998 217 S CB 1.208 63.702 63.200 -1.177 0.000 0.953 217 S HN 0.270 nan 8.310 nan 0.000 0.547 218 P HA -0.120 nan 4.420 nan 0.000 0.216 218 P C 0.668 177.943 177.300 -0.042 0.000 1.154 218 P CA 1.485 64.558 63.100 -0.044 0.000 0.865 218 P CB -0.060 31.661 31.700 0.035 0.000 0.789 219 N N -2.271 116.389 118.700 -0.067 0.000 2.273 219 N HA 0.206 4.604 4.740 -0.569 0.000 0.231 219 N C 0.757 176.206 175.510 -0.102 0.000 1.134 219 N CA 0.432 53.441 53.050 -0.067 0.000 0.856 219 N CB -0.481 37.980 38.487 -0.044 0.000 1.068 219 N HN -0.004 nan 8.380 nan 0.000 0.510 220 G N -0.782 107.963 108.800 -0.091 0.000 2.166 220 G HA2 -0.351 3.268 3.960 -0.569 0.000 0.260 220 G HA3 -0.351 3.268 3.960 -0.569 0.000 0.260 220 G C 1.142 176.072 174.900 0.049 0.000 0.986 220 G CA 1.182 46.253 45.100 -0.048 0.000 0.683 220 G HN 0.407 nan 8.290 nan 0.000 0.527 221 T N -0.350 114.132 114.554 -0.120 0.000 2.770 221 T HA 0.234 4.243 4.350 -0.569 0.000 0.263 221 T C 0.819 175.263 174.700 -0.426 0.000 1.039 221 T CA 1.314 63.189 62.100 -0.374 0.000 1.142 221 T CB -0.046 68.391 68.868 -0.719 0.000 0.868 221 T HN 0.305 nan 8.240 nan 0.000 0.435 222 F N 0.226 120.203 119.950 0.045 0.000 2.507 222 F HA 0.659 4.844 4.527 -0.570 0.000 0.327 222 F C -0.336 175.486 175.800 0.037 0.000 1.068 222 F CA -1.705 56.346 58.000 0.084 0.000 0.965 222 F CB 1.243 40.353 39.000 0.184 0.000 1.192 222 F HN -0.132 nan 8.300 nan 0.000 0.476 223 L N 2.577 123.910 121.223 0.183 0.000 2.372 223 L HA 0.811 4.809 4.340 -0.569 0.000 0.273 223 L C -0.711 176.239 176.870 0.134 0.000 0.989 223 L CA -0.558 54.202 54.840 -0.133 0.000 0.841 223 L CB 0.715 42.414 42.059 -0.599 0.000 1.225 223 L HN 0.678 nan 8.230 nan 0.000 0.414 224 A N 4.685 127.684 122.820 0.298 0.000 2.303 224 A HA 0.793 4.771 4.320 -0.569 0.000 0.317 224 A C -1.377 176.352 177.584 0.243 0.000 1.149 224 A CA -0.252 51.891 52.037 0.176 0.000 0.822 224 A CB 0.626 19.788 19.000 0.269 0.000 1.131 224 A HN 0.903 nan 8.150 nan 0.000 0.493 225 Y N -1.484 118.697 120.300 -0.198 0.000 2.609 225 Y HA 0.758 4.966 4.550 -0.570 0.000 0.336 225 Y C -0.440 175.399 175.900 -0.101 0.000 1.129 225 Y CA -0.952 57.099 58.100 -0.081 0.000 1.040 225 Y CB 0.875 39.232 38.460 -0.171 0.000 1.310 225 Y HN 0.953 nan 8.280 nan 0.000 0.460 226 A N 2.287 125.189 122.820 0.137 0.000 2.340 226 A HA 0.676 4.654 4.320 -0.569 0.000 0.331 226 A C -1.243 176.204 177.584 -0.229 0.000 1.140 226 A CA -0.854 51.111 52.037 -0.120 0.000 0.801 226 A CB 1.746 20.728 19.000 -0.030 0.000 1.234 226 A HN 0.828 nan 8.150 nan 0.000 0.469 227 Q N 1.175 120.752 119.800 -0.372 0.000 2.340 227 Q HA 0.624 4.622 4.340 -0.569 0.000 0.268 227 Q C -2.062 173.647 176.000 -0.485 0.000 1.031 227 Q CA -0.392 55.304 55.803 -0.178 0.000 0.804 227 Q CB 1.082 29.934 28.738 0.190 0.000 1.286 227 Q HN 0.589 nan 8.270 nan 0.000 0.448 228 F N 2.421 122.419 119.950 0.081 0.000 2.458 228 F HA 0.404 4.591 4.527 -0.567 0.000 0.336 228 F C 0.354 176.252 175.800 0.163 0.000 1.114 228 F CA -0.907 57.106 58.000 0.021 0.000 0.987 228 F CB 1.479 40.389 39.000 -0.149 0.000 1.130 228 F HN 0.439 nan 8.300 nan 0.000 0.458 229 N N 2.081 120.945 118.700 0.272 0.000 2.446 229 N HA 0.210 4.609 4.740 -0.569 0.000 0.265 229 N C -0.836 174.811 175.510 0.228 0.000 0.975 229 N CA -0.260 52.926 53.050 0.227 0.000 0.928 229 N CB 1.196 39.768 38.487 0.142 0.000 1.160 229 N HN 0.570 nan 8.380 nan 0.000 0.495 230 D N 1.491 122.046 120.400 0.258 0.000 2.424 230 D HA 0.136 4.435 4.640 -0.569 0.000 0.220 230 D C 1.178 177.573 176.300 0.158 0.000 1.150 230 D CA 0.142 54.277 54.000 0.224 0.000 0.831 230 D CB 0.550 41.534 40.800 0.307 0.000 0.981 230 D HN 0.478 nan 8.370 nan 0.000 0.500 231 T N 0.375 115.005 114.554 0.127 0.000 2.653 231 T HA -0.208 3.801 4.350 -0.569 0.000 0.268 231 T C 1.310 176.055 174.700 0.075 0.000 1.035 231 T CA 1.311 63.464 62.100 0.088 0.000 1.154 231 T CB -0.044 68.865 68.868 0.070 0.000 0.862 231 T HN 0.330 nan 8.240 nan 0.000 0.441 232 E N 0.462 120.708 120.200 0.076 0.000 2.444 232 E HA 0.162 4.170 4.350 -0.569 0.000 0.191 232 E C -0.422 176.219 176.600 0.068 0.000 1.041 232 E CA -0.209 56.228 56.400 0.062 0.000 0.883 232 E CB 0.492 30.223 29.700 0.051 0.000 1.024 232 E HN 0.239 nan 8.360 nan 0.000 0.470 233 V N 3.363 123.329 119.914 0.086 0.000 2.461 233 V HA 0.140 3.918 4.120 -0.569 0.000 0.275 233 V C -2.026 174.117 176.094 0.081 0.000 1.047 233 V CA -1.725 60.629 62.300 0.091 0.000 0.955 233 V CB 0.571 32.462 31.823 0.113 0.000 0.988 233 V HN 0.015 nan 8.190 nan 0.000 0.471 234 P HA 0.229 nan 4.420 nan 0.000 0.270 234 P C -0.707 176.626 177.300 0.056 0.000 1.223 234 P CA -0.192 62.943 63.100 0.057 0.000 0.785 234 P CB 0.496 32.230 31.700 0.057 0.000 0.923 235 L N 2.217 123.453 121.223 0.022 0.000 2.309 235 L HA 0.453 4.451 4.340 -0.569 0.000 0.282 235 L C 0.279 177.110 176.870 -0.064 0.000 1.036 235 L CA -0.912 53.924 54.840 -0.007 0.000 0.806 235 L CB 1.052 43.100 42.059 -0.018 0.000 1.220 235 L HN 0.296 nan 8.230 nan 0.000 0.429 236 I N 2.644 123.136 120.570 -0.131 0.000 2.385 236 I HA 0.299 4.128 4.170 -0.569 0.000 0.294 236 I C -0.404 175.567 176.117 -0.242 0.000 0.988 236 I CA 0.223 61.361 61.300 -0.271 0.000 1.265 236 I CB 0.997 38.622 38.000 -0.625 0.000 1.388 236 I HN 0.582 nan 8.210 nan 0.000 0.480 237 E N 7.079 127.157 120.200 -0.204 0.000 2.293 237 E HA 0.548 4.556 4.350 -0.569 0.000 0.270 237 E C -1.816 174.721 176.600 -0.105 0.000 0.879 237 E CA -0.653 55.620 56.400 -0.211 0.000 0.756 237 E CB 2.300 31.905 29.700 -0.158 0.000 1.208 237 E HN 0.566 nan 8.360 nan 0.000 0.428 238 Y N -2.158 118.047 120.300 -0.158 0.000 2.609 238 Y HA 0.549 4.746 4.550 -0.588 0.000 0.336 238 Y C -0.886 174.931 175.900 -0.138 0.000 1.129 238 Y CA -1.260 56.750 58.100 -0.149 0.000 1.040 238 Y CB 0.932 39.305 38.460 -0.146 0.000 1.310 238 Y HN 0.241 nan 8.280 nan 0.000 0.460 239 S N 1.940 117.632 115.700 -0.012 0.000 2.537 239 S HA 0.480 4.608 4.470 -0.569 0.000 0.275 239 S C -1.414 173.018 174.600 -0.280 0.000 1.272 239 S CA -0.426 57.622 58.200 -0.253 0.000 1.050 239 S CB 0.556 63.466 63.200 -0.483 0.000 0.961 239 S HN 0.532 nan 8.310 nan 0.000 0.496 240 F N 2.727 122.427 119.950 -0.417 0.000 2.460 240 F HA 0.423 4.611 4.527 -0.564 0.000 0.341 240 F C -0.109 175.467 175.800 -0.373 0.000 1.130 240 F CA -1.044 56.799 58.000 -0.262 0.000 0.962 240 F CB 0.621 39.587 39.000 -0.056 0.000 1.171 240 F HN 0.649 nan 8.300 nan 0.000 0.436 241 Y N 2.818 122.887 120.300 -0.384 0.000 2.395 241 Y HA 0.055 4.189 4.550 -0.694 0.000 0.293 241 Y C 1.797 177.587 175.900 -0.183 0.000 1.123 241 Y CA 1.165 59.125 58.100 -0.233 0.000 1.227 241 Y CB -0.688 37.632 38.460 -0.233 0.000 1.012 241 Y HN 0.736 nan 8.280 nan 0.000 0.552 242 S N -0.156 115.382 115.700 -0.270 0.000 3.443 242 S HA -0.329 3.799 4.470 -0.569 0.000 0.635 242 S C -0.168 174.457 174.600 0.041 0.000 2.555 242 S CA 0.235 58.457 58.200 0.035 0.000 2.778 242 S CB -1.446 61.900 63.200 0.244 0.000 0.331 242 S HN 0.620 nan 8.310 nan 0.000 1.765 243 D N 0.995 121.449 120.400 0.090 0.000 2.443 243 D HA 0.223 4.521 4.640 -0.569 0.000 0.239 243 D C 1.438 177.763 176.300 0.042 0.000 1.136 243 D CA 0.840 54.875 54.000 0.059 0.000 0.879 243 D CB 0.512 41.351 40.800 0.066 0.000 1.195 243 D HN 0.547 nan 8.370 nan 0.000 0.443 244 E N 1.458 121.671 120.200 0.022 0.000 2.253 244 E HA -0.290 3.719 4.350 -0.569 0.000 0.202 244 E C 1.315 177.922 176.600 0.012 0.000 1.014 244 E CA 1.405 57.810 56.400 0.008 0.000 0.823 244 E CB 0.016 29.715 29.700 -0.002 0.000 0.736 244 E HN 0.556 nan 8.360 nan 0.000 0.478 245 S N -0.198 115.517 115.700 0.024 0.000 2.522 245 S HA -0.003 4.126 4.470 -0.569 0.000 0.227 245 S C 1.034 175.656 174.600 0.036 0.000 0.986 245 S CA -0.166 58.049 58.200 0.026 0.000 0.929 245 S CB -0.038 63.180 63.200 0.029 0.000 0.769 245 S HN 0.231 nan 8.310 nan 0.000 0.529 246 L N 2.370 123.623 121.223 0.049 0.000 2.369 246 L HA 0.187 4.185 4.340 -0.569 0.000 0.279 246 L C 1.547 178.447 176.870 0.051 0.000 1.108 246 L CA -0.049 54.833 54.840 0.069 0.000 0.852 246 L CB 1.016 43.130 42.059 0.090 0.000 1.169 246 L HN 0.398 nan 8.230 nan 0.000 0.452 247 Q N 3.832 123.668 119.800 0.061 0.000 2.119 247 Q HA -0.099 3.899 4.340 -0.569 0.000 0.201 247 Q C -0.643 175.266 176.000 -0.152 0.000 0.972 247 Q CA 1.374 57.157 55.803 -0.033 0.000 0.847 247 Q CB 0.246 28.990 28.738 0.010 0.000 0.903 247 Q HN 0.566 nan 8.270 nan 0.000 0.433 248 Y N 0.102 120.414 120.300 0.020 0.000 2.364 248 Y HA 0.381 4.587 4.550 -0.573 0.000 0.340 248 Y C -2.085 173.822 175.900 0.012 0.000 0.975 248 Y CA -2.974 55.134 58.100 0.014 0.000 1.089 248 Y CB 1.324 39.785 38.460 0.001 0.000 1.192 248 Y HN 0.081 nan 8.280 nan 0.000 0.454 249 P HA 0.128 nan 4.420 nan 0.000 0.271 249 P C -1.046 176.261 177.300 0.010 0.000 1.218 249 P CA -0.599 62.509 63.100 0.013 0.000 0.780 249 P CB 0.590 32.230 31.700 -0.100 0.000 0.901 250 K N 0.100 120.497 120.400 -0.005 0.000 2.123 250 K HA 0.600 4.578 4.320 -0.569 0.000 0.248 250 K C -0.712 175.848 176.600 -0.065 0.000 0.969 250 K CA -0.700 55.583 56.287 -0.007 0.000 0.882 250 K CB 0.563 33.078 32.500 0.026 0.000 1.080 250 K HN 0.176 nan 8.250 nan 0.000 0.441 251 T N 1.604 116.104 114.554 -0.090 0.000 2.749 251 T HA 0.226 4.234 4.350 -0.569 0.000 0.287 251 T C -0.241 174.337 174.700 -0.204 0.000 0.970 251 T CA -0.720 61.290 62.100 -0.150 0.000 0.980 251 T CB 1.057 69.849 68.868 -0.128 0.000 0.924 251 T HN 0.342 nan 8.240 nan 0.000 0.456 252 V N 5.184 124.883 119.914 -0.359 0.000 2.546 252 V HA 0.438 4.217 4.120 -0.569 0.000 0.284 252 V C 0.438 176.266 176.094 -0.443 0.000 1.050 252 V CA -0.510 61.528 62.300 -0.438 0.000 0.981 252 V CB 0.946 32.340 31.823 -0.715 0.000 0.990 252 V HN 0.720 nan 8.190 nan 0.000 0.474 253 R N 4.952 125.313 120.500 -0.233 0.000 2.513 253 R HA 0.721 4.719 4.340 -0.569 0.000 0.301 253 R C -1.392 174.881 176.300 -0.045 0.000 0.968 253 R CA -0.544 55.462 56.100 -0.156 0.000 0.872 253 R CB 2.017 32.262 30.300 -0.092 0.000 1.177 253 R HN 0.603 nan 8.270 nan 0.000 0.444 254 I N 3.195 123.731 120.570 -0.057 0.000 2.533 254 I HA 0.341 4.169 4.170 -0.569 0.000 0.290 254 I C -2.422 173.726 176.117 0.051 0.000 1.056 254 I CA -2.687 58.637 61.300 0.040 0.000 1.057 254 I CB 2.732 40.691 38.000 -0.068 0.000 1.240 254 I HN 0.239 nan 8.210 nan 0.000 0.423 255 P HA 0.086 nan 4.420 nan 0.000 0.274 255 P C -1.476 175.911 177.300 0.145 0.000 1.291 255 P CA 0.184 63.369 63.100 0.141 0.000 0.815 255 P CB -0.140 31.678 31.700 0.197 0.000 0.897 256 Y N 6.878 127.143 120.300 -0.058 0.000 2.338 256 Y HA 0.473 4.689 4.550 -0.556 0.000 0.333 256 Y C -2.648 173.225 175.900 -0.044 0.000 0.968 256 Y CA -2.998 55.027 58.100 -0.124 0.000 1.123 256 Y CB 1.912 40.184 38.460 -0.314 0.000 1.165 256 Y HN 0.273 nan 8.280 nan 0.000 0.452 257 P HA 0.287 nan 4.420 nan 0.000 0.297 257 P C -1.213 176.142 177.300 0.091 0.000 1.342 257 P CA -0.400 62.741 63.100 0.068 0.000 0.801 257 P CB 1.654 33.373 31.700 0.032 0.000 0.920 258 K N 1.903 122.431 120.400 0.213 0.000 2.098 258 K HA 0.544 4.522 4.320 -0.569 0.000 0.244 258 K C 0.460 177.162 176.600 0.170 0.000 1.014 258 K CA -0.807 55.624 56.287 0.240 0.000 0.917 258 K CB 0.687 33.342 32.500 0.257 0.000 1.072 258 K HN 0.455 nan 8.250 nan 0.000 0.477 259 A N 0.799 123.745 122.820 0.210 0.000 2.583 259 A HA 0.197 4.175 4.320 -0.569 0.000 0.249 259 A C 1.229 178.866 177.584 0.087 0.000 1.035 259 A CA 1.174 53.324 52.037 0.190 0.000 0.777 259 A CB -1.385 17.796 19.000 0.301 0.000 0.942 259 A HN 0.930 nan 8.150 nan 0.000 0.516 260 G N 0.983 109.825 108.800 0.069 0.000 2.184 260 G HA2 0.085 3.703 3.960 -0.569 0.000 0.264 260 G HA3 0.085 3.703 3.960 -0.569 0.000 0.264 260 G C 0.702 175.621 174.900 0.032 0.000 0.975 260 G CA 0.948 46.063 45.100 0.024 0.000 0.642 260 G HN 2.226 nan 8.290 nan 0.000 0.536 261 A N -0.333 122.521 122.820 0.057 0.000 2.249 261 A HA 0.710 4.688 4.320 -0.569 0.000 0.281 261 A C 0.501 178.117 177.584 0.052 0.000 1.127 261 A CA 0.501 52.572 52.037 0.057 0.000 0.833 261 A CB 0.325 19.373 19.000 0.080 0.000 1.140 261 A HN 0.640 nan 8.150 nan 0.000 0.502 262 E N 0.572 120.802 120.200 0.051 0.000 2.324 262 E HA 0.175 4.183 4.350 -0.569 0.000 0.271 262 E C -0.429 176.210 176.600 0.065 0.000 1.028 262 E CA 0.140 56.568 56.400 0.048 0.000 0.890 262 E CB 0.149 29.876 29.700 0.045 0.000 1.004 262 E HN 0.539 nan 8.360 nan 0.000 0.431 263 N N 4.084 122.823 118.700 0.064 0.000 2.482 263 N HA 0.431 4.830 4.740 -0.569 0.000 0.279 263 N C -2.464 173.117 175.510 0.119 0.000 1.182 263 N CA -1.688 51.423 53.050 0.101 0.000 0.969 263 N CB 0.704 39.257 38.487 0.109 0.000 1.201 263 N HN 0.385 nan 8.380 nan 0.000 0.523 264 P HA 0.132 nan 4.420 nan 0.000 0.278 264 P C -0.444 176.980 177.300 0.205 0.000 1.238 264 P CA -0.204 63.020 63.100 0.207 0.000 0.794 264 P CB 0.487 32.340 31.700 0.255 0.000 0.955 265 T N -0.779 113.863 114.554 0.147 0.000 2.912 265 T HA 0.580 4.589 4.350 -0.569 0.000 0.280 265 T C -0.065 174.696 174.700 0.103 0.000 0.989 265 T CA -0.754 61.393 62.100 0.079 0.000 0.995 265 T CB 1.409 70.299 68.868 0.038 0.000 1.077 265 T HN 0.355 nan 8.240 nan 0.000 0.531 266 V N -0.071 119.871 119.914 0.046 0.000 3.114 266 V HA 0.766 4.545 4.120 -0.569 0.000 0.308 266 V C -1.715 174.372 176.094 -0.013 0.000 1.168 266 V CA -0.950 61.320 62.300 -0.051 0.000 1.015 266 V CB 2.267 34.062 31.823 -0.047 0.000 1.050 266 V HN 1.072 nan 8.190 nan 0.000 0.433 267 K N 3.661 123.978 120.400 -0.139 0.000 2.477 267 K HA 0.581 4.560 4.320 -0.569 0.000 0.255 267 K C -2.007 174.399 176.600 -0.324 0.000 0.952 267 K CA -0.443 55.716 56.287 -0.215 0.000 0.826 267 K CB 2.797 35.118 32.500 -0.298 0.000 1.331 267 K HN 0.555 nan 8.250 nan 0.000 0.437 268 F N 2.524 122.115 119.950 -0.599 0.000 2.507 268 F HA 0.556 4.741 4.527 -0.570 0.000 0.325 268 F C -1.561 173.752 175.800 -0.812 0.000 1.116 268 F CA -0.667 57.009 58.000 -0.541 0.000 0.930 268 F CB 0.819 39.645 39.000 -0.289 0.000 1.146 268 F HN 0.371 nan 8.300 nan 0.000 0.447 269 F N 4.522 123.827 119.950 -1.074 0.000 2.563 269 F HA 0.691 4.876 4.527 -0.570 0.000 0.316 269 F C -0.874 174.487 175.800 -0.732 0.000 1.076 269 F CA -1.275 56.264 58.000 -0.768 0.000 0.921 269 F CB 2.052 40.573 39.000 -0.798 0.000 1.209 269 F HN 0.075 nan 8.300 nan 0.000 0.462 270 V N 3.374 123.226 119.914 -0.104 0.000 2.376 270 V HA 0.411 4.189 4.120 -0.569 0.000 0.287 270 V C -0.550 175.698 176.094 0.258 0.000 1.015 270 V CA -0.790 61.484 62.300 -0.044 0.000 0.834 270 V CB 1.385 32.966 31.823 -0.403 0.000 1.001 270 V HN 0.536 nan 8.190 nan 0.000 0.428 271 V N 3.623 123.715 119.914 0.296 0.000 2.439 271 V HA 0.314 4.092 4.120 -0.569 0.000 0.282 271 V C 0.097 176.449 176.094 0.430 0.000 1.039 271 V CA -0.369 62.121 62.300 0.317 0.000 0.913 271 V CB 1.804 33.735 31.823 0.181 0.000 0.983 271 V HN 0.879 nan 8.190 nan 0.000 0.460 272 D N 3.595 124.264 120.400 0.448 0.000 2.365 272 D HA 0.087 4.386 4.640 -0.569 0.000 0.237 272 D C 1.354 177.743 176.300 0.148 0.000 1.190 272 D CA 0.024 54.247 54.000 0.371 0.000 0.867 272 D CB 1.670 42.720 40.800 0.417 0.000 1.050 272 D HN 0.729 nan 8.370 nan 0.000 0.491 273 T N 1.430 116.025 114.554 0.067 0.000 3.072 273 T HA -0.043 3.966 4.350 -0.569 0.000 0.266 273 T C 1.696 176.423 174.700 0.044 0.000 1.127 273 T CA 0.428 62.572 62.100 0.072 0.000 1.107 273 T CB 0.022 68.982 68.868 0.154 0.000 0.910 273 T HN 0.315 nan 8.240 nan 0.000 0.513 274 R N 1.353 121.849 120.500 -0.007 0.000 2.127 274 R HA -0.053 3.945 4.340 -0.569 0.000 0.238 274 R C 2.569 178.888 176.300 0.030 0.000 1.134 274 R CA 1.829 57.925 56.100 -0.007 0.000 0.975 274 R CB -0.581 29.695 30.300 -0.041 0.000 0.865 274 R HN 0.685 nan 8.270 nan 0.000 0.447 275 T N -1.823 112.763 114.554 0.054 0.000 3.086 275 T HA 0.212 4.221 4.350 -0.569 0.000 0.250 275 T C 0.696 175.433 174.700 0.061 0.000 1.074 275 T CA -0.216 61.921 62.100 0.062 0.000 0.988 275 T CB 0.007 68.923 68.868 0.080 0.000 0.988 275 T HN -0.020 nan 8.240 nan 0.000 0.530 276 L N 2.547 123.806 121.223 0.060 0.000 2.534 276 L HA 0.365 4.363 4.340 -0.569 0.000 0.271 276 L C 0.420 177.321 176.870 0.053 0.000 1.178 276 L CA 0.040 54.914 54.840 0.056 0.000 0.907 276 L CB 0.363 42.454 42.059 0.053 0.000 1.164 276 L HN 0.281 nan 8.230 nan 0.000 0.482 277 S N 4.208 119.940 115.700 0.054 0.000 2.537 277 S HA 0.464 4.593 4.470 -0.569 0.000 0.271 277 S C -1.980 172.654 174.600 0.057 0.000 1.148 277 S CA -1.076 57.155 58.200 0.051 0.000 0.868 277 S CB 1.965 65.192 63.200 0.046 0.000 1.115 277 S HN 0.361 nan 8.310 nan 0.000 0.461 278 P HA -0.078 nan 4.420 nan 0.000 0.217 278 P C 0.261 177.598 177.300 0.062 0.000 1.148 278 P CA 1.277 64.415 63.100 0.064 0.000 0.828 278 P CB -0.051 31.682 31.700 0.055 0.000 0.783 279 N N -0.586 118.143 118.700 0.048 0.000 2.273 279 N HA 0.291 4.690 4.740 -0.569 0.000 0.231 279 N C 0.137 175.668 175.510 0.036 0.000 1.134 279 N CA -0.001 53.072 53.050 0.038 0.000 0.856 279 N CB 0.843 39.348 38.487 0.030 0.000 1.068 279 N HN 0.130 nan 8.380 nan 0.000 0.510 280 A N 0.242 123.089 122.820 0.046 0.000 2.380 280 A HA 0.663 4.641 4.320 -0.569 0.000 0.315 280 A C 0.498 178.114 177.584 0.054 0.000 1.101 280 A CA -0.532 51.533 52.037 0.046 0.000 0.771 280 A CB 1.093 20.124 19.000 0.051 0.000 1.287 280 A HN 0.159 nan 8.150 nan 0.000 0.436 281 S N 0.006 115.734 115.700 0.047 0.000 2.641 281 S HA 0.544 4.672 4.470 -0.569 0.000 0.261 281 S C -0.006 174.640 174.600 0.077 0.000 1.257 281 S CA -0.481 57.750 58.200 0.051 0.000 0.983 281 S CB 0.668 63.887 63.200 0.031 0.000 0.990 281 S HN 0.886 nan 8.310 nan 0.000 0.572 282 V N 1.526 121.493 119.914 0.089 0.000 2.432 282 V HA 0.310 4.089 4.120 -0.569 0.000 0.275 282 V C 0.284 176.446 176.094 0.114 0.000 1.043 282 V CA -0.482 61.875 62.300 0.096 0.000 0.925 282 V CB 0.946 32.822 31.823 0.088 0.000 0.985 282 V HN 0.988 nan 8.190 nan 0.000 0.466 283 T N 4.857 119.496 114.554 0.141 0.000 2.747 283 T HA 0.473 4.481 4.350 -0.569 0.000 0.301 283 T C 0.123 174.973 174.700 0.250 0.000 0.952 283 T CA -0.167 62.047 62.100 0.190 0.000 0.983 283 T CB 0.436 69.426 68.868 0.202 0.000 0.930 283 T HN 0.929 nan 8.240 nan 0.000 0.494 284 S N 3.261 119.120 115.700 0.266 0.000 2.588 284 S HA 0.731 4.859 4.470 -0.569 0.000 0.275 284 S C -1.627 173.222 174.600 0.415 0.000 1.130 284 S CA -0.972 57.426 58.200 0.330 0.000 0.855 284 S CB 1.703 65.045 63.200 0.237 0.000 1.116 284 S HN 0.560 nan 8.310 nan 0.000 0.472 285 Y N 0.950 121.441 120.300 0.319 0.000 2.462 285 Y HA 0.556 4.764 4.550 -0.569 0.000 0.346 285 Y C -0.530 175.508 175.900 0.229 0.000 0.976 285 Y CA -0.582 57.699 58.100 0.302 0.000 1.044 285 Y CB 2.028 40.745 38.460 0.428 0.000 1.230 285 Y HN 0.917 nan 8.280 nan 0.000 0.455 286 Q N 5.931 125.441 119.800 -0.483 0.000 2.314 286 Q HA 0.517 4.516 4.340 -0.569 0.000 0.259 286 Q C -1.417 174.291 176.000 -0.488 0.000 0.951 286 Q CA -0.549 54.970 55.803 -0.472 0.000 0.909 286 Q CB 0.852 29.325 28.738 -0.442 0.000 1.236 286 Q HN 0.751 nan 8.270 nan 0.000 0.444 287 I N 5.084 125.554 120.570 -0.166 0.000 2.321 287 I HA 0.242 4.070 4.170 -0.569 0.000 0.291 287 I C 0.142 176.255 176.117 -0.006 0.000 0.998 287 I CA -0.873 60.444 61.300 0.029 0.000 1.227 287 I CB 1.264 39.372 38.000 0.179 0.000 1.368 287 I HN 0.415 nan 8.210 nan 0.000 0.466 288 V N 5.414 125.274 119.914 -0.089 0.000 2.837 288 V HA 0.652 4.430 4.120 -0.569 0.000 0.310 288 V C -2.319 173.540 176.094 -0.392 0.000 1.059 288 V CA -1.877 60.293 62.300 -0.217 0.000 1.004 288 V CB 0.964 32.650 31.823 -0.228 0.000 1.045 288 V HN 0.525 nan 8.190 nan 0.000 0.465 289 P HA 0.395 nan 4.420 nan 0.000 0.274 289 P C -2.816 174.068 177.300 -0.694 0.000 1.246 289 P CA -1.525 60.760 63.100 -1.358 0.000 0.795 289 P CB -0.291 30.036 31.700 -2.288 0.000 1.006 290 P HA 0.029 nan 4.420 nan 0.000 0.269 290 P C 0.835 177.960 177.300 -0.292 0.000 1.215 290 P CA 0.152 63.084 63.100 -0.280 0.000 0.780 290 P CB 0.105 31.710 31.700 -0.159 0.000 0.898 291 A N 2.359 125.057 122.820 -0.203 0.000 1.917 291 A HA -0.231 3.748 4.320 -0.569 0.000 0.219 291 A C 2.093 179.558 177.584 -0.198 0.000 1.182 291 A CA 2.485 54.408 52.037 -0.189 0.000 0.633 291 A CB -1.873 17.049 19.000 -0.130 0.000 0.819 291 A HN 0.631 nan 8.150 nan 0.000 0.448 292 S N -1.154 114.448 115.700 -0.163 0.000 2.493 292 S HA -0.035 4.094 4.470 -0.569 0.000 0.243 292 S C 1.363 175.790 174.600 -0.289 0.000 0.991 292 S CA 1.391 59.473 58.200 -0.197 0.000 0.957 292 S CB -0.255 62.900 63.200 -0.076 0.000 0.756 292 S HN 0.280 nan 8.310 nan 0.000 0.521 293 V N 0.371 120.117 119.914 -0.279 0.000 3.212 293 V HA 0.292 4.071 4.120 -0.569 0.000 0.244 293 V C 2.034 177.881 176.094 -0.412 0.000 1.151 293 V CA 0.281 62.386 62.300 -0.324 0.000 1.119 293 V CB -0.206 31.400 31.823 -0.362 0.000 0.838 293 V HN 0.415 nan 8.190 nan 0.000 0.470 294 L N -0.204 120.760 121.223 -0.433 0.000 2.362 294 L HA -0.124 3.875 4.340 -0.569 0.000 0.219 294 L C 2.218 178.974 176.870 -0.189 0.000 1.134 294 L CA 1.180 55.805 54.840 -0.358 0.000 0.807 294 L CB -0.348 41.527 42.059 -0.305 0.000 0.927 294 L HN 0.334 nan 8.230 nan 0.000 0.447 295 I N -0.391 120.070 120.570 -0.181 0.000 2.091 295 I HA -0.275 3.554 4.170 -0.569 0.000 0.240 295 I C 1.500 177.565 176.117 -0.086 0.000 1.046 295 I CA 1.762 62.984 61.300 -0.131 0.000 1.306 295 I CB -0.446 37.463 38.000 -0.151 0.000 1.018 295 I HN 0.342 nan 8.210 nan 0.000 0.404 296 G N -1.174 107.585 108.800 -0.070 0.000 3.243 296 G HA2 0.260 3.878 3.960 -0.569 0.000 0.248 296 G HA3 0.260 3.878 3.960 -0.569 0.000 0.248 296 G C -1.315 173.604 174.900 0.032 0.000 1.267 296 G CA -0.411 44.670 45.100 -0.032 0.000 0.906 296 G HN -0.004 nan 8.290 nan 0.000 0.592 297 D N 1.094 121.479 120.400 -0.025 0.000 2.423 297 D HA 0.350 4.649 4.640 -0.569 0.000 0.238 297 D C 0.257 176.494 176.300 -0.106 0.000 1.142 297 D CA 0.665 54.606 54.000 -0.099 0.000 0.884 297 D CB 0.591 41.290 40.800 -0.168 0.000 1.199 297 D HN 0.546 nan 8.370 nan 0.000 0.438 298 H N -1.165 117.754 119.070 -0.250 0.000 2.933 298 H HA 0.477 4.692 4.556 -0.568 0.000 0.310 298 H C -1.370 173.817 175.328 -0.235 0.000 1.351 298 H CA -0.785 55.126 56.048 -0.228 0.000 1.137 298 H CB 0.473 30.219 29.762 -0.026 0.000 1.853 298 H HN 0.302 nan 8.280 nan 0.000 0.539 299 Y N -0.227 120.303 120.300 0.382 0.000 2.581 299 Y HA 0.419 4.627 4.550 -0.570 0.000 0.345 299 Y C -0.617 175.596 175.900 0.522 0.000 1.036 299 Y CA -1.132 57.195 58.100 0.380 0.000 1.042 299 Y CB 2.031 40.569 38.460 0.130 0.000 1.289 299 Y HN 0.498 nan 8.280 nan 0.000 0.471 300 L N 2.844 124.462 121.223 0.658 0.000 2.265 300 L HA 0.469 4.468 4.340 -0.569 0.000 0.289 300 L C 0.275 177.380 176.870 0.391 0.000 1.033 300 L CA -0.401 54.527 54.840 0.146 0.000 0.814 300 L CB 0.514 42.532 42.059 -0.069 0.000 1.203 300 L HN 0.953 nan 8.230 nan 0.000 0.423 301 C N 1.662 121.040 119.300 0.129 0.000 3.183 301 C HA 0.861 4.979 4.460 -0.569 0.000 0.285 301 C C 0.714 175.653 174.990 -0.086 0.000 1.313 301 C CA -0.004 59.118 59.018 0.174 0.000 1.711 301 C CB -0.879 26.932 27.740 0.117 0.000 2.135 301 C HN 0.919 nan 8.230 nan 0.000 0.651 302 G N 0.139 108.748 108.800 -0.318 0.000 2.733 302 G HA2 0.562 4.181 3.960 -0.569 0.000 0.297 302 G HA3 0.562 4.181 3.960 -0.569 0.000 0.297 302 G C -1.799 172.680 174.900 -0.701 0.000 1.452 302 G CA -0.169 44.647 45.100 -0.473 0.000 0.940 302 G HN 0.297 nan 8.290 nan 0.000 0.547 303 V N 0.798 120.216 119.914 -0.826 0.000 2.638 303 V HA 0.846 4.624 4.120 -0.569 0.000 0.306 303 V C -0.345 175.310 176.094 -0.733 0.000 1.052 303 V CA -0.662 61.009 62.300 -1.048 0.000 0.885 303 V CB 2.178 32.904 31.823 -1.828 0.000 0.999 303 V HN 0.900 nan 8.190 nan 0.000 0.424 304 T N 2.964 117.146 114.554 -0.620 0.000 3.109 304 T HA 0.348 4.356 4.350 -0.569 0.000 0.311 304 T C -1.057 173.411 174.700 -0.387 0.000 1.011 304 T CA -0.439 61.448 62.100 -0.354 0.000 1.026 304 T CB 0.872 69.619 68.868 -0.201 0.000 1.047 304 T HN 0.542 nan 8.240 nan 0.000 0.448 305 W N 2.609 123.820 121.300 -0.149 0.000 2.266 305 W HA 0.376 4.694 4.660 -0.570 0.000 0.317 305 W C 1.127 177.551 176.519 -0.159 0.000 1.310 305 W CA -0.304 56.974 57.345 -0.110 0.000 1.207 305 W CB 0.711 30.194 29.460 0.039 0.000 1.199 305 W HN 0.465 nan 8.180 nan 0.000 0.544 306 V N 1.637 121.543 119.914 -0.012 0.000 2.521 306 V HA 0.091 3.869 4.120 -0.569 0.000 0.239 306 V C 0.871 177.024 176.094 0.098 0.000 1.053 306 V CA 1.557 63.759 62.300 -0.164 0.000 1.073 306 V CB -0.187 31.314 31.823 -0.536 0.000 0.746 306 V HN 0.677 nan 8.190 nan 0.000 0.476 307 T N -4.279 110.401 114.554 0.210 0.000 2.681 307 T HA 0.323 4.332 4.350 -0.569 0.000 0.296 307 T C 0.339 175.253 174.700 0.355 0.000 1.157 307 T CA -0.491 61.749 62.100 0.234 0.000 1.025 307 T CB 1.849 70.826 68.868 0.182 0.000 1.441 307 T HN -0.050 nan 8.240 nan 0.000 0.504 308 E N 0.445 120.807 120.200 0.271 0.000 2.409 308 E HA -0.035 3.973 4.350 -0.569 0.000 0.198 308 E C 0.735 177.636 176.600 0.503 0.000 1.024 308 E CA 0.966 57.551 56.400 0.310 0.000 0.861 308 E CB 0.121 29.933 29.700 0.186 0.000 0.788 308 E HN 0.739 nan 8.360 nan 0.000 0.521 309 E N -0.014 120.437 120.200 0.418 0.000 2.758 309 E HA 0.158 4.167 4.350 -0.569 0.000 0.215 309 E C 0.175 177.009 176.600 0.391 0.000 0.985 309 E CA -0.164 56.438 56.400 0.337 0.000 1.102 309 E CB 0.996 30.822 29.700 0.211 0.000 1.042 309 E HN -0.121 nan 8.360 nan 0.000 0.480 310 R N 1.660 122.452 120.500 0.487 0.000 2.510 310 R HA 0.459 4.458 4.340 -0.569 0.000 0.294 310 R C -1.815 174.550 176.300 0.109 0.000 1.056 310 R CA -0.388 55.886 56.100 0.290 0.000 0.918 310 R CB 1.226 31.591 30.300 0.108 0.000 1.187 310 R HN 0.070 nan 8.270 nan 0.000 0.437 311 I N 2.407 122.908 120.570 -0.115 0.000 2.569 311 I HA 0.417 4.245 4.170 -0.569 0.000 0.296 311 I C -1.055 174.747 176.117 -0.525 0.000 1.028 311 I CA -0.514 60.423 61.300 -0.605 0.000 1.082 311 I CB 2.282 39.554 38.000 -1.213 0.000 1.264 311 I HN 0.647 nan 8.210 nan 0.000 0.429 312 S N 7.566 122.893 115.700 -0.622 0.000 2.456 312 S HA 0.645 4.774 4.470 -0.569 0.000 0.316 312 S C -0.983 173.276 174.600 -0.570 0.000 1.089 312 S CA -0.661 57.244 58.200 -0.492 0.000 1.101 312 S CB 0.567 63.511 63.200 -0.426 0.000 0.995 312 S HN 0.501 nan 8.310 nan 0.000 0.468 313 L N 4.314 125.233 121.223 -0.508 0.000 2.346 313 L HA 0.580 4.579 4.340 -0.569 0.000 0.276 313 L C -0.196 176.383 176.870 -0.484 0.000 1.006 313 L CA -0.676 53.754 54.840 -0.683 0.000 0.817 313 L CB 1.977 43.567 42.059 -0.782 0.000 1.272 313 L HN 0.624 nan 8.230 nan 0.000 0.421 314 Q N 2.236 121.692 119.800 -0.573 0.000 2.341 314 Q HA 0.409 4.408 4.340 -0.569 0.000 0.268 314 Q C -1.898 173.915 176.000 -0.312 0.000 1.013 314 Q CA -0.518 55.100 55.803 -0.307 0.000 0.798 314 Q CB 1.373 29.967 28.738 -0.240 0.000 1.253 314 Q HN 0.465 nan 8.270 nan 0.000 0.457 315 W N 3.822 125.099 121.300 -0.038 0.000 2.706 315 W HA 0.701 5.019 4.660 -0.570 0.000 0.346 315 W C -0.576 176.006 176.519 0.105 0.000 1.071 315 W CA -0.656 56.721 57.345 0.053 0.000 1.206 315 W CB 1.286 30.756 29.460 0.016 0.000 1.413 315 W HN 0.508 nan 8.180 nan 0.000 0.542 316 I N 1.389 122.225 120.570 0.443 0.000 2.802 316 I HA 0.448 4.276 4.170 -0.569 0.000 0.298 316 I C -0.167 176.148 176.117 0.329 0.000 1.176 316 I CA -1.221 60.288 61.300 0.348 0.000 1.025 316 I CB 1.549 39.724 38.000 0.290 0.000 1.243 316 I HN 0.416 nan 8.210 nan 0.000 0.424 317 R N 3.926 124.579 120.500 0.255 0.000 2.707 317 R HA 0.244 4.242 4.340 -0.569 0.000 0.270 317 R C 1.030 177.373 176.300 0.072 0.000 1.083 317 R CA -0.291 55.885 56.100 0.125 0.000 1.182 317 R CB 0.523 30.860 30.300 0.061 0.000 1.084 317 R HN 0.582 nan 8.270 nan 0.000 0.528 318 R N 1.409 121.862 120.500 -0.078 0.000 2.127 318 R HA -0.197 3.801 4.340 -0.569 0.000 0.238 318 R C 1.816 178.150 176.300 0.058 0.000 1.134 318 R CA 1.926 57.950 56.100 -0.126 0.000 0.975 318 R CB -0.282 29.908 30.300 -0.184 0.000 0.865 318 R HN 0.764 nan 8.270 nan 0.000 0.447 319 A N 0.213 123.056 122.820 0.039 0.000 1.972 319 A HA -0.178 3.800 4.320 -0.569 0.000 0.219 319 A C 0.876 178.499 177.584 0.066 0.000 1.169 319 A CA 1.619 53.683 52.037 0.045 0.000 0.635 319 A CB -0.126 18.894 19.000 0.033 0.000 0.810 319 A HN 0.629 nan 8.150 nan 0.000 0.446 320 Q N -2.120 117.751 119.800 0.117 0.000 2.506 320 Q HA -0.178 3.820 4.340 -0.569 0.000 0.268 320 Q C -0.112 175.968 176.000 0.133 0.000 1.002 320 Q CA 0.659 56.541 55.803 0.133 0.000 1.052 320 Q CB -1.846 26.932 28.738 0.067 0.000 1.383 320 Q HN 0.973 nan 8.270 nan 0.000 0.537 321 N N -0.556 118.225 118.700 0.136 0.000 2.197 321 N HA 0.083 4.482 4.740 -0.569 0.000 0.228 321 N C -0.865 174.737 175.510 0.154 0.000 1.212 321 N CA -0.015 53.100 53.050 0.110 0.000 0.883 321 N CB 0.499 39.029 38.487 0.071 0.000 1.107 321 N HN 0.309 nan 8.380 nan 0.000 0.519 322 Y N 1.646 121.974 120.300 0.046 0.000 2.307 322 Y HA 0.510 4.718 4.550 -0.570 0.000 0.323 322 Y C -1.193 174.747 175.900 0.066 0.000 1.100 322 Y CA -1.077 57.049 58.100 0.043 0.000 1.140 322 Y CB 1.090 39.565 38.460 0.025 0.000 1.159 322 Y HN 0.158 nan 8.280 nan 0.000 0.436 323 S N 6.390 122.036 115.700 -0.091 0.000 2.599 323 S HA 0.868 4.996 4.470 -0.569 0.000 0.294 323 S C -1.355 173.189 174.600 -0.094 0.000 1.094 323 S CA -0.798 57.425 58.200 0.039 0.000 0.931 323 S CB 2.400 65.631 63.200 0.052 0.000 1.093 323 S HN 0.804 nan 8.310 nan 0.000 0.488 324 I N 0.895 121.502 120.570 0.063 0.000 2.752 324 I HA 0.538 4.367 4.170 -0.569 0.000 0.295 324 I C -1.887 174.283 176.117 0.088 0.000 1.219 324 I CA -1.291 60.037 61.300 0.047 0.000 1.030 324 I CB 1.687 39.754 38.000 0.110 0.000 1.259 324 I HN 0.797 nan 8.210 nan 0.000 0.423 325 I N 5.622 126.217 120.570 0.042 0.000 2.336 325 I HA 0.305 4.133 4.170 -0.569 0.000 0.292 325 I C -1.117 175.038 176.117 0.063 0.000 0.991 325 I CA -0.253 61.043 61.300 -0.006 0.000 1.227 325 I CB 1.456 39.376 38.000 -0.133 0.000 1.366 325 I HN 0.470 nan 8.210 nan 0.000 0.466 326 D N 7.547 127.972 120.400 0.043 0.000 2.425 326 D HA 0.446 4.745 4.640 -0.569 0.000 0.240 326 D C -0.711 175.576 176.300 -0.021 0.000 1.080 326 D CA -0.272 53.758 54.000 0.051 0.000 0.836 326 D CB 1.192 42.053 40.800 0.102 0.000 1.125 326 D HN 0.264 nan 8.370 nan 0.000 0.525 327 I N 4.229 124.811 120.570 0.020 0.000 2.306 327 I HA 0.272 4.100 4.170 -0.569 0.000 0.288 327 I C -0.325 175.804 176.117 0.021 0.000 1.036 327 I CA -0.707 60.583 61.300 -0.016 0.000 1.221 327 I CB 0.853 38.893 38.000 0.067 0.000 1.385 327 I HN 0.284 nan 8.210 nan 0.000 0.472 328 C N 4.484 123.792 119.300 0.012 0.000 2.319 328 C HA 0.413 4.532 4.460 -0.569 0.000 0.335 328 C C 0.043 175.179 174.990 0.243 0.000 1.274 328 C CA -0.743 58.355 59.018 0.133 0.000 1.806 328 C CB 0.516 28.366 27.740 0.183 0.000 2.329 328 C HN 0.575 nan 8.230 nan 0.000 0.524 329 D N 0.712 121.212 120.400 0.166 0.000 2.168 329 D HA 0.232 4.530 4.640 -0.569 0.000 0.246 329 D C -0.545 175.684 176.300 -0.119 0.000 1.050 329 D CA -0.186 53.866 54.000 0.087 0.000 0.857 329 D CB 0.957 41.772 40.800 0.025 0.000 1.169 329 D HN 0.596 nan 8.370 nan 0.000 0.453 330 Y N 1.759 121.723 120.300 -0.559 0.000 2.402 330 Y HA 0.103 4.312 4.550 -0.569 0.000 0.333 330 Y C 0.068 175.644 175.900 -0.540 0.000 1.076 330 Y CA -0.104 57.345 58.100 -1.085 0.000 1.299 330 Y CB 0.639 38.279 38.460 -1.366 0.000 1.197 330 Y HN 0.166 nan 8.280 nan 0.000 0.517 331 D N 6.024 125.806 120.400 -1.030 0.000 2.396 331 D HA 0.067 4.365 4.640 -0.569 0.000 0.225 331 D C 0.285 176.013 176.300 -0.954 0.000 1.121 331 D CA -0.027 53.546 54.000 -0.712 0.000 0.853 331 D CB 0.813 41.315 40.800 -0.496 0.000 1.043 331 D HN 0.841 nan 8.370 nan 0.000 0.500 332 E N 1.203 121.037 120.200 -0.611 0.000 2.333 332 E HA -0.143 3.865 4.350 -0.569 0.000 0.198 332 E C 1.487 177.954 176.600 -0.223 0.000 1.007 332 E CA 0.745 56.930 56.400 -0.359 0.000 0.845 332 E CB 0.216 29.893 29.700 -0.038 0.000 0.766 332 E HN 0.436 nan 8.360 nan 0.000 0.507 333 S N -0.632 114.934 115.700 -0.223 0.000 2.556 333 S HA 0.016 4.144 4.470 -0.569 0.000 0.216 333 S C 1.597 176.116 174.600 -0.135 0.000 0.970 333 S CA 0.622 58.743 58.200 -0.131 0.000 0.912 333 S CB 0.353 63.496 63.200 -0.096 0.000 0.790 333 S HN 0.249 nan 8.310 nan 0.000 0.504 334 T N -4.561 109.860 114.554 -0.220 0.000 3.028 334 T HA 0.511 4.520 4.350 -0.569 0.000 0.262 334 T C 1.533 176.117 174.700 -0.193 0.000 0.916 334 T CA 0.634 62.631 62.100 -0.171 0.000 0.873 334 T CB -0.003 68.764 68.868 -0.169 0.000 1.232 334 T HN 1.156 nan 8.240 nan 0.000 0.529 335 G N 2.176 110.757 108.800 -0.366 0.000 2.184 335 G HA2 -0.261 3.358 3.960 -0.569 0.000 0.264 335 G HA3 -0.261 3.358 3.960 -0.569 0.000 0.264 335 G C 0.145 174.800 174.900 -0.408 0.000 0.975 335 G CA 0.085 45.030 45.100 -0.258 0.000 0.642 335 G HN 0.725 nan 8.290 nan 0.000 0.536 336 R N -1.253 118.852 120.500 -0.659 0.000 2.560 336 R HA 0.471 4.469 4.340 -0.569 0.000 0.270 336 R C -0.654 175.088 176.300 -0.928 0.000 1.074 336 R CA -0.404 55.079 56.100 -1.028 0.000 1.140 336 R CB 0.589 30.471 30.300 -0.696 0.000 1.073 336 R HN 0.206 nan 8.270 nan 0.000 0.527 337 W N 2.859 123.663 121.300 -0.827 0.000 2.296 337 W HA 0.399 4.718 4.660 -0.568 0.000 0.316 337 W C -0.362 176.105 176.519 -0.086 0.000 1.022 337 W CA -0.291 56.925 57.345 -0.215 0.000 1.324 337 W CB 0.596 30.074 29.460 0.029 0.000 1.227 337 W HN 0.278 nan 8.180 nan 0.000 0.409 338 I N 3.677 124.263 120.570 0.027 0.000 2.428 338 I HA 0.402 4.231 4.170 -0.569 0.000 0.296 338 I C 0.632 176.793 176.117 0.072 0.000 0.985 338 I CA -0.527 60.796 61.300 0.037 0.000 1.260 338 I CB 1.267 39.240 38.000 -0.045 0.000 1.389 338 I HN 0.316 nan 8.210 nan 0.000 0.484 339 S N 3.371 119.110 115.700 0.064 0.000 2.600 339 S HA 0.828 4.957 4.470 -0.569 0.000 0.300 339 S C -0.524 174.091 174.600 0.024 0.000 1.087 339 S CA -0.689 57.541 58.200 0.049 0.000 0.965 339 S CB 1.971 65.200 63.200 0.047 0.000 1.089 339 S HN 0.695 nan 8.310 nan 0.000 0.496 340 S N 0.184 115.896 115.700 0.020 0.000 2.549 340 S HA 0.497 4.626 4.470 -0.569 0.000 0.280 340 S C 0.568 175.165 174.600 -0.005 0.000 1.109 340 S CA -0.748 57.455 58.200 0.006 0.000 0.905 340 S CB 1.007 64.212 63.200 0.009 0.000 1.081 340 S HN 0.639 nan 8.310 nan 0.000 0.477 341 V N 1.828 121.732 119.914 -0.018 0.000 2.568 341 V HA -0.161 3.617 4.120 -0.569 0.000 0.253 341 V C 2.847 178.910 176.094 -0.052 0.000 1.072 341 V CA 2.454 64.734 62.300 -0.033 0.000 1.084 341 V CB -1.551 30.254 31.823 -0.031 0.000 0.676 341 V HN 1.017 nan 8.190 nan 0.000 0.469 342 A N -0.140 122.659 122.820 -0.034 0.000 2.015 342 A HA -0.119 3.859 4.320 -0.569 0.000 0.219 342 A C 2.195 179.751 177.584 -0.047 0.000 1.163 342 A CA 1.082 53.095 52.037 -0.039 0.000 0.646 342 A CB -0.325 18.671 19.000 -0.007 0.000 0.806 342 A HN 0.525 nan 8.150 nan 0.000 0.448 343 R N -0.113 120.387 120.500 0.000 0.000 2.426 343 R HA 0.146 4.144 4.340 -0.569 0.000 0.263 343 R C -0.461 175.874 176.300 0.059 0.000 0.961 343 R CA -0.002 56.152 56.100 0.090 0.000 1.086 343 R CB 0.179 30.556 30.300 0.129 0.000 1.186 343 R HN 0.619 nan 8.270 nan 0.000 0.537 344 Q N 0.209 119.933 119.800 -0.127 0.000 2.282 344 Q HA 0.278 4.276 4.340 -0.569 0.000 0.260 344 Q C -1.079 174.720 176.000 -0.335 0.000 0.964 344 Q CA -0.518 55.231 55.803 -0.090 0.000 0.880 344 Q CB 1.907 30.616 28.738 -0.048 0.000 1.286 344 Q HN 0.197 nan 8.270 nan 0.000 0.445 345 H N 1.189 120.273 119.070 0.022 0.000 2.727 345 H HA 0.408 4.622 4.556 -0.569 0.000 0.330 345 H C -0.708 174.594 175.328 -0.043 0.000 0.986 345 H CA -0.375 55.683 56.048 0.017 0.000 1.251 345 H CB 0.920 30.694 29.762 0.020 0.000 1.493 345 H HN 0.440 nan 8.280 nan 0.000 0.515 346 I N 2.017 122.593 120.570 0.009 0.000 2.440 346 I HA 0.255 4.083 4.170 -0.569 0.000 0.294 346 I C 0.198 176.250 176.117 -0.110 0.000 0.995 346 I CA -0.219 61.002 61.300 -0.132 0.000 1.306 346 I CB 1.302 39.188 38.000 -0.189 0.000 1.407 346 I HN 0.598 nan 8.210 nan 0.000 0.501 347 E N 7.210 127.284 120.200 -0.210 0.000 2.281 347 E HA 0.530 4.539 4.350 -0.569 0.000 0.266 347 E C -1.447 175.042 176.600 -0.185 0.000 0.893 347 E CA -0.566 55.763 56.400 -0.118 0.000 0.798 347 E CB 1.846 31.519 29.700 -0.045 0.000 1.245 347 E HN 0.635 nan 8.360 nan 0.000 0.410 348 I N 0.322 120.818 120.570 -0.123 0.000 3.108 348 I HA 0.754 4.583 4.170 -0.569 0.000 0.312 348 I C -1.003 175.097 176.117 -0.029 0.000 1.095 348 I CA -0.793 60.457 61.300 -0.083 0.000 1.000 348 I CB 2.389 40.359 38.000 -0.051 0.000 1.229 348 I HN 0.341 nan 8.210 nan 0.000 0.454 349 S N 0.422 116.113 115.700 -0.015 0.000 2.571 349 S HA 0.486 4.614 4.470 -0.569 0.000 0.284 349 S C 0.240 174.818 174.600 -0.036 0.000 1.128 349 S CA 0.032 58.208 58.200 -0.040 0.000 0.970 349 S CB 1.419 64.562 63.200 -0.094 0.000 1.039 349 S HN 0.882 nan 8.310 nan 0.000 0.485 350 T N -0.076 114.457 114.554 -0.035 0.000 3.014 350 T HA 0.075 4.083 4.350 -0.569 0.000 0.250 350 T C 1.409 176.079 174.700 -0.049 0.000 1.060 350 T CA 0.812 62.895 62.100 -0.027 0.000 1.040 350 T CB -0.249 68.611 68.868 -0.012 0.000 0.971 350 T HN 0.674 nan 8.240 nan 0.000 0.497 351 T N -2.075 112.434 114.554 -0.074 0.000 3.054 351 T HA 0.652 4.660 4.350 -0.569 0.000 0.255 351 T C 1.065 175.602 174.700 -0.271 0.000 1.035 351 T CA 0.323 62.372 62.100 -0.084 0.000 0.941 351 T CB 0.527 69.405 68.868 0.017 0.000 1.026 351 T HN 0.610 nan 8.240 nan 0.000 0.533 352 G N 0.795 109.334 108.800 -0.435 0.000 2.623 352 G HA2 0.430 4.048 3.960 -0.569 0.000 0.085 352 G HA3 0.430 4.048 3.960 -0.569 0.000 0.085 352 G C -1.778 172.915 174.900 -0.344 0.000 1.116 352 G CA -0.392 44.323 45.100 -0.642 0.000 1.200 352 G HN 0.536 nan 8.290 nan 0.000 0.556 353 W N 0.204 121.228 121.300 -0.459 0.000 2.671 353 W HA 0.821 5.141 4.660 -0.566 0.000 0.360 353 W C -0.418 176.044 176.519 -0.094 0.000 1.128 353 W CA -1.430 55.780 57.345 -0.225 0.000 1.184 353 W CB 1.170 30.476 29.460 -0.257 0.000 1.415 353 W HN 0.306 nan 8.180 nan 0.000 0.604 354 V N 3.468 123.454 119.914 0.120 0.000 2.583 354 V HA 0.617 4.395 4.120 -0.569 0.000 0.287 354 V C 0.991 177.176 176.094 0.151 0.000 1.051 354 V CA 0.843 63.184 62.300 0.069 0.000 1.010 354 V CB 0.090 31.955 31.823 0.070 0.000 0.988 354 V HN 1.302 nan 8.190 nan 0.000 0.478 355 G N 5.351 114.198 108.800 0.078 0.000 2.697 355 G HA2 -0.236 3.382 3.960 -0.569 0.000 0.240 355 G HA3 -0.236 3.382 3.960 -0.569 0.000 0.240 355 G C 0.451 175.451 174.900 0.167 0.000 1.346 355 G CA 0.561 45.728 45.100 0.110 0.000 0.887 355 G HN 0.655 nan 8.290 nan 0.000 0.569 356 R N -1.642 118.951 120.500 0.155 0.000 2.041 356 R HA 0.312 4.311 4.340 -0.569 0.000 0.221 356 R C 2.311 178.619 176.300 0.013 0.000 1.196 356 R CA 1.744 57.892 56.100 0.081 0.000 0.969 356 R CB -0.133 30.174 30.300 0.011 0.000 0.858 356 R HN 0.404 nan 8.270 nan 0.000 0.444 357 F N -0.057 120.026 119.950 0.222 0.000 2.712 357 F HA 0.268 4.453 4.527 -0.569 0.000 0.297 357 F C 0.511 176.368 175.800 0.096 0.000 1.114 357 F CA -0.196 57.898 58.000 0.158 0.000 1.305 357 F CB 0.675 39.778 39.000 0.170 0.000 1.086 357 F HN -0.051 nan 8.300 nan 0.000 0.599 358 R N -0.618 120.047 120.500 0.275 0.000 2.712 358 R HA 0.374 4.372 4.340 -0.569 0.000 0.272 358 R C -3.298 173.095 176.300 0.155 0.000 1.032 358 R CA -1.811 54.395 56.100 0.177 0.000 0.874 358 R CB 0.516 30.904 30.300 0.146 0.000 1.256 358 R HN -0.343 nan 8.270 nan 0.000 0.468 359 P HA 0.062 nan 4.420 nan 0.000 0.269 359 P C -0.323 177.018 177.300 0.068 0.000 1.209 359 P CA -0.036 63.112 63.100 0.081 0.000 0.776 359 P CB 0.701 32.429 31.700 0.047 0.000 0.876 360 A N 2.969 125.832 122.820 0.071 0.000 2.425 360 A HA 0.148 4.126 4.320 -0.569 0.000 0.242 360 A C 0.590 178.192 177.584 0.029 0.000 1.077 360 A CA -0.252 51.835 52.037 0.083 0.000 0.781 360 A CB -0.149 18.918 19.000 0.111 0.000 1.020 360 A HN 0.509 nan 8.150 nan 0.000 0.494 361 E N 1.830 122.050 120.200 0.033 0.000 2.331 361 E HA 0.327 4.336 4.350 -0.569 0.000 0.272 361 E C -2.343 174.200 176.600 -0.096 0.000 1.036 361 E CA -1.594 54.761 56.400 -0.075 0.000 0.864 361 E CB 0.625 30.256 29.700 -0.116 0.000 1.035 361 E HN 0.480 nan 8.360 nan 0.000 0.408 362 P HA 0.190 nan 4.420 nan 0.000 0.282 362 P C -0.666 176.465 177.300 -0.283 0.000 1.249 362 P CA -0.198 62.731 63.100 -0.285 0.000 0.806 362 P CB 0.989 32.203 31.700 -0.809 0.000 0.984 363 H N 2.165 121.216 119.070 -0.030 0.000 2.762 363 H HA 0.290 4.504 4.556 -0.569 0.000 0.310 363 H C -0.194 175.218 175.328 0.140 0.000 1.004 363 H CA -0.302 55.819 56.048 0.121 0.000 1.267 363 H CB 0.276 30.130 29.762 0.154 0.000 1.437 363 H HN 0.298 nan 8.280 nan 0.000 0.498 364 F N 1.552 121.645 119.950 0.239 0.000 2.380 364 F HA 0.103 4.288 4.527 -0.570 0.000 0.325 364 F C 1.620 177.582 175.800 0.270 0.000 1.136 364 F CA -0.464 57.695 58.000 0.265 0.000 1.171 364 F CB 0.877 39.966 39.000 0.148 0.000 1.230 364 F HN 0.334 nan 8.300 nan 0.000 0.554 365 T N -1.968 112.861 114.554 0.458 0.000 2.849 365 T HA 0.149 4.157 4.350 -0.569 0.000 0.284 365 T C 1.144 176.019 174.700 0.291 0.000 1.004 365 T CA -0.623 61.679 62.100 0.337 0.000 1.021 365 T CB 1.134 70.184 68.868 0.303 0.000 1.013 365 T HN 0.505 nan 8.240 nan 0.000 0.527 366 S N 1.170 117.002 115.700 0.219 0.000 2.374 366 S HA -0.162 3.967 4.470 -0.569 0.000 0.227 366 S C 1.901 176.607 174.600 0.176 0.000 1.037 366 S CA 1.650 59.959 58.200 0.183 0.000 1.024 366 S CB -0.591 62.696 63.200 0.145 0.000 0.861 366 S HN 0.944 nan 8.310 nan 0.000 0.456 367 D N 0.214 120.719 120.400 0.175 0.000 2.219 367 D HA 0.009 4.307 4.640 -0.569 0.000 0.205 367 D C 1.464 177.873 176.300 0.182 0.000 0.970 367 D CA 1.015 55.110 54.000 0.159 0.000 0.851 367 D CB -0.627 40.259 40.800 0.144 0.000 0.943 367 D HN 0.519 nan 8.370 nan 0.000 0.488 368 G N 1.147 110.094 108.800 0.246 0.000 2.143 368 G HA2 -0.333 3.285 3.960 -0.569 0.000 0.249 368 G HA3 -0.333 3.285 3.960 -0.569 0.000 0.249 368 G C 0.614 175.712 174.900 0.330 0.000 0.981 368 G CA 0.389 45.669 45.100 0.300 0.000 0.665 368 G HN 0.467 nan 8.290 nan 0.000 0.528 369 N N -0.096 118.766 118.700 0.270 0.000 2.422 369 N HA 0.301 4.700 4.740 -0.569 0.000 0.181 369 N C 0.845 176.494 175.510 0.230 0.000 1.080 369 N CA 0.707 53.892 53.050 0.224 0.000 0.893 369 N CB 0.236 38.817 38.487 0.155 0.000 0.973 369 N HN 0.708 nan 8.380 nan 0.000 0.456 370 S N -0.287 115.581 115.700 0.280 0.000 2.596 370 S HA 0.661 4.790 4.470 -0.569 0.000 0.270 370 S C -1.287 173.421 174.600 0.180 0.000 1.155 370 S CA -1.103 57.192 58.200 0.158 0.000 0.827 370 S CB 1.261 64.531 63.200 0.117 0.000 1.130 370 S HN 0.162 nan 8.310 nan 0.000 0.467 371 F N -1.519 118.302 119.950 -0.215 0.000 2.662 371 F HA 0.854 5.040 4.527 -0.569 0.000 0.312 371 F C -2.205 173.396 175.800 -0.331 0.000 1.113 371 F CA -1.473 56.295 58.000 -0.387 0.000 0.951 371 F CB 0.716 39.020 39.000 -1.160 0.000 1.344 371 F HN 0.596 nan 8.300 nan 0.000 0.462 372 Y N 1.268 121.647 120.300 0.131 0.000 2.393 372 Y HA 0.666 4.874 4.550 -0.570 0.000 0.341 372 Y C -0.336 175.692 175.900 0.213 0.000 0.988 372 Y CA -0.934 57.229 58.100 0.105 0.000 1.078 372 Y CB 2.151 40.607 38.460 -0.006 0.000 1.203 372 Y HN 0.761 nan 8.280 nan 0.000 0.453 373 K N 3.311 123.914 120.400 0.337 0.000 2.543 373 K HA 0.532 4.511 4.320 -0.569 0.000 0.255 373 K C -1.715 175.022 176.600 0.229 0.000 0.934 373 K CA -0.555 55.898 56.287 0.276 0.000 0.810 373 K CB 1.584 34.193 32.500 0.183 0.000 1.315 373 K HN 0.741 nan 8.250 nan 0.000 0.433 374 I N 6.198 126.872 120.570 0.174 0.000 2.471 374 I HA 0.231 4.059 4.170 -0.569 0.000 0.286 374 I C 0.304 176.509 176.117 0.146 0.000 1.079 374 I CA -0.181 61.203 61.300 0.139 0.000 1.398 374 I CB 0.223 38.284 38.000 0.101 0.000 1.403 374 I HN 0.541 nan 8.210 nan 0.000 0.530 375 I N 1.364 122.044 120.570 0.184 0.000 3.195 375 I HA 0.478 4.306 4.170 -0.569 0.000 0.313 375 I C -0.565 175.669 176.117 0.195 0.000 1.237 375 I CA -0.874 60.532 61.300 0.177 0.000 0.963 375 I CB 2.142 40.271 38.000 0.215 0.000 1.278 375 I HN 0.218 nan 8.210 nan 0.000 0.460 376 S N 2.808 118.576 115.700 0.114 0.000 2.528 376 S HA 0.256 4.384 4.470 -0.569 0.000 0.277 376 S C -0.089 174.571 174.600 0.101 0.000 1.297 376 S CA -0.599 57.619 58.200 0.030 0.000 1.052 376 S CB 0.208 63.372 63.200 -0.061 0.000 0.917 376 S HN 0.771 nan 8.310 nan 0.000 0.492 377 N N 2.428 121.076 118.700 -0.088 0.000 2.431 377 N HA 0.175 4.573 4.740 -0.569 0.000 0.289 377 N C 0.634 176.052 175.510 -0.154 0.000 1.277 377 N CA -0.558 52.291 53.050 -0.336 0.000 0.972 377 N CB -0.055 37.843 38.487 -0.980 0.000 1.143 377 N HN 0.356 nan 8.380 nan 0.000 0.578 378 E N -0.347 119.749 120.200 -0.173 0.000 2.130 378 E HA -0.197 3.812 4.350 -0.569 0.000 0.196 378 E C 0.884 177.442 176.600 -0.071 0.000 0.998 378 E CA 1.775 58.123 56.400 -0.088 0.000 0.806 378 E CB -0.346 29.302 29.700 -0.088 0.000 0.738 378 E HN 0.750 nan 8.360 nan 0.000 0.459 379 E N -0.691 119.470 120.200 -0.065 0.000 2.489 379 E HA 0.159 4.168 4.350 -0.569 0.000 0.193 379 E C 0.808 177.428 176.600 0.033 0.000 1.057 379 E CA 0.319 56.736 56.400 0.028 0.000 0.866 379 E CB 0.302 30.055 29.700 0.089 0.000 0.916 379 E HN 0.358 nan 8.360 nan 0.000 0.500 380 G N 0.855 109.608 108.800 -0.078 0.000 2.157 380 G HA2 -0.280 3.339 3.960 -0.569 0.000 0.248 380 G HA3 -0.280 3.339 3.960 -0.569 0.000 0.248 380 G C -0.343 174.316 174.900 -0.402 0.000 0.979 380 G CA -0.160 44.793 45.100 -0.246 0.000 0.650 380 G HN 0.217 nan 8.290 nan 0.000 0.529 381 Y N 0.593 120.764 120.300 -0.214 0.000 2.361 381 Y HA 0.581 4.790 4.550 -0.569 0.000 0.332 381 Y C 0.927 176.628 175.900 -0.332 0.000 1.101 381 Y CA -0.739 57.199 58.100 -0.270 0.000 1.137 381 Y CB 1.162 39.468 38.460 -0.257 0.000 1.207 381 Y HN -0.015 nan 8.280 nan 0.000 0.463 382 K N 4.077 124.300 120.400 -0.296 0.000 2.276 382 K HA 0.300 4.278 4.320 -0.569 0.000 0.285 382 K C -0.813 175.456 176.600 -0.551 0.000 1.062 382 K CA -0.339 55.786 56.287 -0.269 0.000 0.918 382 K CB 0.406 32.814 32.500 -0.153 0.000 1.055 382 K HN 0.642 nan 8.250 nan 0.000 0.477 383 H N 1.311 120.344 119.070 -0.061 0.000 2.941 383 H HA 0.369 4.583 4.556 -0.569 0.000 0.344 383 H C -0.164 175.220 175.328 0.092 0.000 1.235 383 H CA -0.934 55.056 56.048 -0.097 0.000 1.149 383 H CB 1.392 31.002 29.762 -0.254 0.000 1.885 383 H HN 0.338 nan 8.280 nan 0.000 0.558 384 I N 1.312 121.960 120.570 0.129 0.000 2.396 384 I HA 0.051 3.880 4.170 -0.569 0.000 0.289 384 I C 0.342 176.481 176.117 0.037 0.000 1.056 384 I CA 0.080 61.414 61.300 0.058 0.000 1.365 384 I CB 0.362 38.305 38.000 -0.095 0.000 1.407 384 I HN 0.130 nan 8.210 nan 0.000 0.509 385 c N 6.551 125.104 118.600 -0.078 0.000 2.411 385 c HA 0.321 4.550 4.570 -0.569 0.000 0.330 385 c C 0.073 173.970 174.090 -0.321 0.000 1.224 385 c CA -0.427 55.615 56.329 -0.479 0.000 1.770 385 c CB 0.675 42.608 42.510 -0.962 0.000 2.297 385 c HN 0.762 nan 8.230 nan 0.000 0.507 386 H N 3.837 122.549 119.070 -0.598 0.000 2.652 386 H HA 0.484 4.699 4.556 -0.569 0.000 0.298 386 H C -1.164 173.670 175.328 -0.823 0.000 1.076 386 H CA -0.328 55.307 56.048 -0.688 0.000 1.360 386 H CB 0.427 29.897 29.762 -0.487 0.000 1.421 386 H HN 0.579 nan 8.280 nan 0.000 0.464 387 F N 2.514 121.943 119.950 -0.868 0.000 2.492 387 F HA 0.186 4.372 4.527 -0.569 0.000 0.327 387 F C 0.097 175.358 175.800 -0.898 0.000 1.079 387 F CA -0.857 56.513 58.000 -1.050 0.000 0.967 387 F CB 1.832 39.736 39.000 -1.827 0.000 1.169 387 F HN 0.512 nan 8.300 nan 0.000 0.472 388 Q N 0.584 120.171 119.800 -0.354 0.000 2.290 388 Q HA 0.307 4.305 4.340 -0.569 0.000 0.259 388 Q C 0.788 176.833 176.000 0.076 0.000 0.941 388 Q CA -0.046 55.656 55.803 -0.168 0.000 0.912 388 Q CB 1.733 30.390 28.738 -0.134 0.000 1.244 388 Q HN 0.764 nan 8.270 nan 0.000 0.441 389 T N 2.021 116.689 114.554 0.190 0.000 2.721 389 T HA -0.209 3.799 4.350 -0.569 0.000 0.268 389 T C 0.197 175.141 174.700 0.407 0.000 1.038 389 T CA 2.012 64.356 62.100 0.406 0.000 1.145 389 T CB -0.127 68.975 68.868 0.390 0.000 0.858 389 T HN 0.778 nan 8.240 nan 0.000 0.459 390 D N -0.074 120.463 120.400 0.228 0.000 2.463 390 D HA 0.157 4.455 4.640 -0.569 0.000 0.224 390 D C 0.006 176.353 176.300 0.078 0.000 1.174 390 D CA -0.375 53.710 54.000 0.140 0.000 0.829 390 D CB 0.268 41.122 40.800 0.090 0.000 0.993 390 D HN 0.078 nan 8.370 nan 0.000 0.497 391 K N -0.192 120.276 120.400 0.114 0.000 2.426 391 K HA 0.347 4.325 4.320 -0.569 0.000 0.251 391 K C 0.506 177.150 176.600 0.074 0.000 0.941 391 K CA -0.601 55.710 56.287 0.040 0.000 0.808 391 K CB 1.811 34.306 32.500 -0.008 0.000 1.265 391 K HN -0.002 nan 8.250 nan 0.000 0.432 392 S N -0.252 115.448 115.700 0.000 0.000 2.501 392 S HA -0.081 4.048 4.470 -0.569 0.000 0.220 392 S C 0.477 175.098 174.600 0.035 0.000 0.997 392 S CA -0.005 58.210 58.200 0.025 0.000 0.919 392 S CB -0.596 62.585 63.200 -0.033 0.000 0.778 392 S HN 0.710 nan 8.310 nan 0.000 0.523 393 N N 1.467 120.133 118.700 -0.057 0.000 2.499 393 N HA 0.476 4.874 4.740 -0.569 0.000 0.281 393 N C -0.128 175.180 175.510 -0.337 0.000 1.098 393 N CA -0.586 52.370 53.050 -0.158 0.000 0.979 393 N CB 1.003 39.408 38.487 -0.137 0.000 1.121 393 N HN 0.471 nan 8.380 nan 0.000 0.466 394 c N -0.175 118.095 118.600 -0.550 0.000 2.771 394 c HA 0.808 5.036 4.570 -0.569 0.000 0.333 394 c C -0.357 173.339 174.090 -0.658 0.000 1.267 394 c CA -0.669 55.117 56.329 -0.905 0.000 1.721 394 c CB 1.144 42.496 42.510 -1.930 0.000 2.222 394 c HN 0.727 nan 8.230 nan 0.000 0.485 395 T N 1.941 116.131 114.554 -0.606 0.000 2.809 395 T HA 0.492 4.501 4.350 -0.569 0.000 0.284 395 T C -0.761 173.722 174.700 -0.362 0.000 0.992 395 T CA 0.126 62.021 62.100 -0.342 0.000 0.957 395 T CB 0.427 69.225 68.868 -0.115 0.000 0.942 395 T HN 0.494 nan 8.240 nan 0.000 0.439 396 F N 3.229 123.060 119.950 -0.198 0.000 2.529 396 F HA 0.251 4.436 4.527 -0.570 0.000 0.365 396 F C 1.630 177.270 175.800 -0.267 0.000 1.102 396 F CA -0.735 57.136 58.000 -0.216 0.000 1.271 396 F CB 0.466 39.348 39.000 -0.198 0.000 1.120 396 F HN 0.581 nan 8.300 nan 0.000 0.579 397 I N -0.631 119.818 120.570 -0.201 0.000 4.082 397 I HA 0.279 4.107 4.170 -0.569 0.000 0.337 397 I C -0.056 175.903 176.117 -0.262 0.000 1.352 397 I CA 0.049 61.025 61.300 -0.541 0.000 1.097 397 I CB 0.106 37.464 38.000 -1.070 0.000 1.048 397 I HN 0.488 nan 8.210 nan 0.000 0.393 398 T N -0.038 114.410 114.554 -0.176 0.000 2.900 398 T HA 0.711 4.719 4.350 -0.569 0.000 0.303 398 T C -0.847 173.459 174.700 -0.657 0.000 1.142 398 T CA -0.668 61.292 62.100 -0.233 0.000 1.007 398 T CB 2.805 71.588 68.868 -0.141 0.000 1.156 398 T HN 0.311 nan 8.240 nan 0.000 0.490 399 K N 0.213 120.063 120.400 -0.917 0.000 2.579 399 K HA 0.869 4.848 4.320 -0.569 0.000 0.284 399 K C -0.292 175.669 176.600 -1.065 0.000 0.990 399 K CA -0.398 55.057 56.287 -1.386 0.000 0.880 399 K CB 1.345 33.435 32.500 -0.682 0.000 1.488 399 K HN 1.870 nan 8.250 nan 0.000 0.425 400 G N -0.884 107.359 108.800 -0.929 0.000 2.351 400 G HA2 0.409 4.028 3.960 -0.569 0.000 0.353 400 G HA3 0.409 4.028 3.960 -0.569 0.000 0.353 400 G C -1.351 173.059 174.900 -0.816 0.000 1.358 400 G CA -0.234 44.491 45.100 -0.625 0.000 0.995 400 G HN 0.991 nan 8.290 nan 0.000 0.611 401 A N 0.870 123.348 122.820 -0.569 0.000 3.202 401 A HA 0.652 4.631 4.320 -0.569 0.000 0.258 401 A C 0.230 177.721 177.584 -0.156 0.000 1.572 401 A CA 0.532 52.034 52.037 -0.891 0.000 1.241 401 A CB -1.101 17.638 19.000 -0.434 0.000 1.127 401 A HN 1.697 nan 8.150 nan 0.000 0.648 402 W N -0.938 120.302 121.300 -0.100 0.000 2.923 402 W HA 0.662 4.980 4.660 -0.570 0.000 0.373 402 W C -1.145 175.424 176.519 0.084 0.000 1.205 402 W CA -0.775 56.629 57.345 0.099 0.000 1.180 402 W CB 0.347 29.833 29.460 0.044 0.000 1.477 402 W HN 0.225 nan 8.180 nan 0.000 0.581 403 E N 0.660 121.065 120.200 0.342 0.000 2.343 403 E HA 0.463 4.471 4.350 -0.569 0.000 0.270 403 E C -1.260 175.465 176.600 0.209 0.000 0.895 403 E CA -1.169 55.231 56.400 -0.000 0.000 0.767 403 E CB 3.337 33.061 29.700 0.041 0.000 1.248 403 E HN 0.150 nan 8.360 nan 0.000 0.440 404 V N 3.521 123.428 119.914 -0.012 0.000 2.461 404 V HA 0.030 3.808 4.120 -0.569 0.000 0.275 404 V C 1.192 177.378 176.094 0.154 0.000 1.047 404 V CA -0.130 62.249 62.300 0.131 0.000 0.955 404 V CB 0.670 32.457 31.823 -0.060 0.000 0.988 404 V HN 0.681 nan 8.190 nan 0.000 0.471 405 I N 3.144 123.843 120.570 0.215 0.000 2.333 405 I HA 0.239 4.067 4.170 -0.569 0.000 0.246 405 I C 1.116 177.356 176.117 0.204 0.000 1.106 405 I CA 1.226 62.655 61.300 0.215 0.000 1.411 405 I CB -0.900 37.184 38.000 0.141 0.000 1.082 405 I HN 0.762 nan 8.210 nan 0.000 0.420 406 G N 0.604 109.520 108.800 0.194 0.000 2.519 406 G HA2 0.474 4.093 3.960 -0.569 0.000 0.292 406 G HA3 0.474 4.093 3.960 -0.569 0.000 0.292 406 G C -1.229 173.753 174.900 0.137 0.000 1.507 406 G CA -0.668 44.534 45.100 0.169 0.000 0.806 406 G HN -0.032 nan 8.290 nan 0.000 0.523 407 I N 1.617 122.191 120.570 0.007 0.000 2.352 407 I HA 0.217 4.045 4.170 -0.569 0.000 0.290 407 I C 0.902 176.928 176.117 -0.152 0.000 1.036 407 I CA -0.490 60.704 61.300 -0.176 0.000 1.336 407 I CB 1.676 39.289 38.000 -0.646 0.000 1.407 407 I HN 0.519 nan 8.210 nan 0.000 0.497 408 E N 4.704 124.874 120.200 -0.050 0.000 2.166 408 E HA 0.243 4.252 4.350 -0.569 0.000 0.192 408 E C 0.255 176.754 176.600 -0.168 0.000 0.967 408 E CA 0.385 56.772 56.400 -0.023 0.000 0.840 408 E CB 0.709 30.445 29.700 0.058 0.000 0.795 408 E HN 0.740 nan 8.360 nan 0.000 0.470 409 A N 0.328 122.959 122.820 -0.314 0.000 2.609 409 A HA 0.645 4.624 4.320 -0.569 0.000 0.291 409 A C -1.901 175.607 177.584 -0.127 0.000 1.096 409 A CA -0.597 51.228 52.037 -0.353 0.000 0.684 409 A CB 1.497 19.874 19.000 -1.038 0.000 1.282 409 A HN 0.045 nan 8.150 nan 0.000 0.412 410 L N 1.005 122.203 121.223 -0.042 0.000 2.528 410 L HA 0.710 4.708 4.340 -0.569 0.000 0.267 410 L C 0.002 176.908 176.870 0.060 0.000 0.961 410 L CA 0.472 55.317 54.840 0.009 0.000 0.866 410 L CB 1.945 44.017 42.059 0.023 0.000 1.248 410 L HN 1.212 nan 8.230 nan 0.000 0.404 411 T N -0.249 114.356 114.554 0.085 0.000 2.905 411 T HA 0.453 4.461 4.350 -0.569 0.000 0.283 411 T C 1.023 175.756 174.700 0.055 0.000 1.031 411 T CA 0.055 62.215 62.100 0.101 0.000 1.002 411 T CB 1.261 70.230 68.868 0.170 0.000 1.200 411 T HN 0.666 nan 8.240 nan 0.000 0.560 412 S N -0.644 115.086 115.700 0.050 0.000 2.515 412 S HA -0.032 4.097 4.470 -0.569 0.000 0.231 412 S C 0.764 175.327 174.600 -0.061 0.000 0.987 412 S CA 0.680 58.893 58.200 0.022 0.000 0.936 412 S CB -0.425 62.797 63.200 0.036 0.000 0.766 412 S HN 0.706 nan 8.310 nan 0.000 0.528 413 D N -0.510 119.812 120.400 -0.129 0.000 2.463 413 D HA 0.250 4.548 4.640 -0.569 0.000 0.237 413 D C -0.258 175.655 176.300 -0.644 0.000 1.013 413 D CA 0.627 54.375 54.000 -0.421 0.000 0.910 413 D CB 0.263 40.714 40.800 -0.582 0.000 1.080 413 D HN 0.447 nan 8.370 nan 0.000 0.498 414 Y N -0.260 119.986 120.300 -0.091 0.000 2.634 414 Y HA 0.577 4.786 4.550 -0.569 0.000 0.340 414 Y C -0.523 175.207 175.900 -0.282 0.000 1.058 414 Y CA -1.151 56.812 58.100 -0.229 0.000 1.081 414 Y CB 2.270 40.493 38.460 -0.395 0.000 1.295 414 Y HN -0.301 nan 8.280 nan 0.000 0.487 415 L N 1.542 122.635 121.223 -0.216 0.000 2.406 415 L HA 0.583 4.581 4.340 -0.569 0.000 0.272 415 L C -2.013 174.694 176.870 -0.271 0.000 0.980 415 L CA -0.573 54.129 54.840 -0.230 0.000 0.831 415 L CB 1.095 42.956 42.059 -0.330 0.000 1.253 415 L HN 0.600 nan 8.230 nan 0.000 0.406 416 Y N 4.661 124.842 120.300 -0.198 0.000 2.342 416 Y HA 0.605 4.813 4.550 -0.569 0.000 0.334 416 Y C -0.301 175.544 175.900 -0.092 0.000 1.067 416 Y CA -0.398 57.557 58.100 -0.241 0.000 1.128 416 Y CB 1.341 39.477 38.460 -0.539 0.000 1.200 416 Y HN 0.542 nan 8.280 nan 0.000 0.464 417 Y N -0.456 119.871 120.300 0.046 0.000 2.705 417 Y HA 0.830 5.038 4.550 -0.570 0.000 0.332 417 Y C -1.881 174.094 175.900 0.125 0.000 1.221 417 Y CA -2.061 56.067 58.100 0.047 0.000 1.059 417 Y CB 1.212 39.681 38.460 0.016 0.000 1.298 417 Y HN 0.404 nan 8.280 nan 0.000 0.459 418 I N 2.513 123.279 120.570 0.326 0.000 2.509 418 I HA 0.657 4.485 4.170 -0.569 0.000 0.293 418 I C -0.650 175.673 176.117 0.344 0.000 1.020 418 I CA -0.596 60.845 61.300 0.235 0.000 1.088 418 I CB 2.203 40.291 38.000 0.147 0.000 1.267 418 I HN 0.880 nan 8.210 nan 0.000 0.430 419 S N 3.052 118.914 115.700 0.269 0.000 2.671 419 S HA 0.438 4.567 4.470 -0.569 0.000 0.277 419 S C -0.608 174.066 174.600 0.124 0.000 1.165 419 S CA -0.844 57.501 58.200 0.242 0.000 0.822 419 S CB 1.802 65.165 63.200 0.272 0.000 1.150 419 S HN 0.651 nan 8.310 nan 0.000 0.479 420 N N -0.367 118.413 118.700 0.133 0.000 2.389 420 N HA 0.129 4.528 4.740 -0.569 0.000 0.260 420 N C 0.550 176.075 175.510 0.025 0.000 1.191 420 N CA -0.173 52.915 53.050 0.063 0.000 0.885 420 N CB 0.222 38.738 38.487 0.049 0.000 1.162 420 N HN 0.857 nan 8.380 nan 0.000 0.512 421 E N 0.337 120.418 120.200 -0.198 0.000 2.072 421 E HA -0.235 3.773 4.350 -0.569 0.000 0.191 421 E C -0.080 176.385 176.600 -0.225 0.000 0.985 421 E CA 0.421 56.468 56.400 -0.588 0.000 0.801 421 E CB -0.210 28.453 29.700 -1.728 0.000 0.750 421 E HN 0.484 nan 8.360 nan 0.000 0.452 422 H N 0.908 119.906 119.070 -0.120 0.000 3.140 422 H HA -0.046 4.168 4.556 -0.570 0.000 0.316 422 H C 0.146 175.456 175.328 -0.030 0.000 0.986 422 H CA 1.158 57.182 56.048 -0.039 0.000 1.397 422 H CB 0.329 30.094 29.762 0.006 0.000 1.377 422 H HN 0.098 nan 8.280 nan 0.000 0.585 423 K N 2.940 123.079 120.400 -0.436 0.000 3.185 423 K HA -0.210 3.768 4.320 -0.569 0.000 0.298 423 K C 0.995 177.563 176.600 -0.053 0.000 1.178 423 K CA 1.331 57.455 56.287 -0.272 0.000 0.882 423 K CB -1.533 30.795 32.500 -0.286 0.000 1.218 423 K HN 1.104 nan 8.250 nan 0.000 0.454 424 G N -0.252 108.532 108.800 -0.028 0.000 2.225 424 G HA2 -0.350 3.268 3.960 -0.569 0.000 0.267 424 G HA3 -0.350 3.268 3.960 -0.569 0.000 0.267 424 G C 0.016 174.974 174.900 0.095 0.000 1.024 424 G CA 0.639 45.785 45.100 0.077 0.000 0.784 424 G HN 0.298 nan 8.290 nan 0.000 0.507 425 M N 1.046 120.615 119.600 -0.051 0.000 2.094 425 M HA 0.196 4.335 4.480 -0.569 0.000 0.348 425 M C -0.730 175.393 176.300 -0.296 0.000 1.267 425 M CA -1.892 53.212 55.300 -0.326 0.000 1.125 425 M CB 1.349 33.768 32.600 -0.303 0.000 1.527 425 M HN -0.037 nan 8.290 nan 0.000 0.447 426 P HA -0.097 nan 4.420 nan 0.000 0.222 426 P C 0.947 178.144 177.300 -0.171 0.000 1.147 426 P CA 1.205 64.214 63.100 -0.152 0.000 0.790 426 P CB 0.116 31.773 31.700 -0.072 0.000 0.780 427 G N -0.561 108.054 108.800 -0.308 0.000 3.314 427 G HA2 0.343 3.961 3.960 -0.569 0.000 0.238 427 G HA3 0.343 3.961 3.960 -0.569 0.000 0.238 427 G C 0.569 175.476 174.900 0.011 0.000 1.184 427 G CA 0.020 45.045 45.100 -0.126 0.000 0.806 427 G HN 0.426 nan 8.290 nan 0.000 0.536 428 G N -0.135 108.629 108.800 -0.060 0.000 2.453 428 G HA2 0.665 4.283 3.960 -0.569 0.000 0.323 428 G HA3 0.665 4.283 3.960 -0.569 0.000 0.323 428 G C -0.864 173.962 174.900 -0.123 0.000 1.198 428 G CA -0.782 44.319 45.100 0.002 0.000 0.959 428 G HN 0.089 nan 8.290 nan 0.000 0.482 429 R N 1.043 121.428 120.500 -0.191 0.000 2.628 429 R HA 0.505 4.504 4.340 -0.569 0.000 0.288 429 R C -1.201 175.102 176.300 0.005 0.000 0.980 429 R CA -0.865 55.105 56.100 -0.217 0.000 0.891 429 R CB 2.293 32.235 30.300 -0.598 0.000 1.188 429 R HN 0.600 nan 8.270 nan 0.000 0.450 430 N N 1.232 119.957 118.700 0.042 0.000 2.494 430 N HA 0.296 4.694 4.740 -0.569 0.000 0.270 430 N C -1.456 173.992 175.510 -0.103 0.000 1.285 430 N CA -0.787 52.217 53.050 -0.077 0.000 0.812 430 N CB 2.622 40.977 38.487 -0.220 0.000 1.557 430 N HN 0.251 nan 8.380 nan 0.000 0.487 431 L N 2.140 123.155 121.223 -0.347 0.000 2.276 431 L HA 0.482 4.481 4.340 -0.569 0.000 0.286 431 L C -1.411 175.160 176.870 -0.499 0.000 1.061 431 L CA 0.033 54.697 54.840 -0.294 0.000 0.807 431 L CB -0.174 41.702 42.059 -0.306 0.000 1.177 431 L HN 0.406 nan 8.230 nan 0.000 0.429 432 Y N 4.237 124.203 120.300 -0.557 0.000 2.562 432 Y HA 0.676 4.884 4.550 -0.570 0.000 0.343 432 Y C -0.144 175.378 175.900 -0.630 0.000 1.025 432 Y CA -0.781 56.916 58.100 -0.670 0.000 1.082 432 Y CB 1.673 39.517 38.460 -1.027 0.000 1.264 432 Y HN 0.517 nan 8.280 nan 0.000 0.478 433 R N 2.789 123.103 120.500 -0.310 0.000 2.575 433 R HA 0.680 4.678 4.340 -0.569 0.000 0.293 433 R C -2.005 174.201 176.300 -0.158 0.000 0.983 433 R CA -0.655 55.189 56.100 -0.427 0.000 0.887 433 R CB 1.597 31.516 30.300 -0.634 0.000 1.184 433 R HN 0.885 nan 8.270 nan 0.000 0.445 434 I N 2.966 123.497 120.570 -0.065 0.000 2.465 434 I HA 0.265 4.094 4.170 -0.569 0.000 0.291 434 I C -0.649 175.534 176.117 0.110 0.000 1.014 434 I CA -0.739 60.616 61.300 0.093 0.000 1.093 434 I CB 2.107 40.213 38.000 0.177 0.000 1.267 434 I HN 0.670 nan 8.210 nan 0.000 0.431 435 Q N 5.001 124.893 119.800 0.154 0.000 2.297 435 Q HA 0.110 4.109 4.340 -0.569 0.000 0.267 435 Q C 0.441 176.468 176.000 0.046 0.000 1.006 435 Q CA -0.431 55.401 55.803 0.048 0.000 0.896 435 Q CB 1.374 30.133 28.738 0.035 0.000 1.186 435 Q HN 0.651 nan 8.270 nan 0.000 0.392 436 L N 3.317 124.505 121.223 -0.058 0.000 2.275 436 L HA -0.178 3.820 4.340 -0.569 0.000 0.215 436 L C 1.495 178.356 176.870 -0.015 0.000 1.119 436 L CA 1.512 56.384 54.840 0.054 0.000 0.790 436 L CB -0.643 41.395 42.059 -0.036 0.000 0.919 436 L HN 0.669 nan 8.230 nan 0.000 0.443 437 N N -1.962 116.669 118.700 -0.115 0.000 2.270 437 N HA 0.025 4.423 4.740 -0.569 0.000 0.198 437 N C -0.446 174.936 175.510 -0.214 0.000 1.117 437 N CA 0.142 53.094 53.050 -0.163 0.000 0.845 437 N CB 0.170 38.584 38.487 -0.122 0.000 0.980 437 N HN 0.175 nan 8.380 nan 0.000 0.486 438 D N -0.668 119.611 120.400 -0.202 0.000 2.491 438 D HA 0.054 4.352 4.640 -0.569 0.000 0.232 438 D C -0.666 175.634 176.300 0.001 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 -0.071 0.000 1.513 438 D HN -0.066 nan 8.370 nan 0.000 0.514 439 Y N 1.052 121.360 120.300 0.013 0.000 2.736 439 Y HA -0.039 4.170 4.550 -0.569 0.000 0.298 439 Y C 2.273 178.194 175.900 0.035 0.000 1.156 439 Y CA 0.804 58.919 58.100 0.026 0.000 1.384 439 Y CB -0.886 37.591 38.460 0.028 0.000 0.976 439 Y HN 0.335 nan 8.280 nan 0.000 0.556 440 T N -0.695 113.949 114.554 0.150 0.000 2.896 440 T HA -0.048 3.961 4.350 -0.569 0.000 0.263 440 T C 0.828 175.585 174.700 0.096 0.000 1.050 440 T CA 0.633 62.794 62.100 0.101 0.000 1.140 440 T CB -0.058 68.842 68.868 0.052 0.000 0.877 440 T HN 0.157 nan 8.240 nan 0.000 0.457 441 K N 2.205 122.660 120.400 0.091 0.000 2.219 441 K HA 0.406 4.384 4.320 -0.569 0.000 0.280 441 K C -1.065 175.599 176.600 0.106 0.000 1.104 441 K CA -0.178 56.160 56.287 0.085 0.000 0.925 441 K CB 1.068 33.613 32.500 0.074 0.000 1.261 441 K HN 0.033 nan 8.250 nan 0.000 0.445 442 V N 2.719 122.694 119.914 0.102 0.000 2.577 442 V HA 0.399 4.178 4.120 -0.569 0.000 0.303 442 V C -0.968 175.170 176.094 0.074 0.000 1.042 442 V CA -0.211 62.157 62.300 0.114 0.000 0.872 442 V CB 2.030 33.964 31.823 0.185 0.000 0.998 442 V HN 0.625 nan 8.190 nan 0.000 0.423 443 T N 5.773 120.329 114.554 0.004 0.000 2.855 443 T HA 0.349 4.357 4.350 -0.569 0.000 0.281 443 T C -0.561 174.027 174.700 -0.188 0.000 1.007 443 T CA -0.283 61.773 62.100 -0.073 0.000 1.009 443 T CB 1.283 70.084 68.868 -0.113 0.000 0.983 443 T HN 0.902 nan 8.240 nan 0.000 0.455 444 C N 5.159 124.272 119.300 -0.311 0.000 2.225 444 C HA 0.443 4.562 4.460 -0.569 0.000 0.328 444 C C 1.674 176.350 174.990 -0.523 0.000 1.187 444 C CA -0.675 57.917 59.018 -0.710 0.000 1.665 444 C CB -2.124 25.097 27.740 -0.865 0.000 2.253 444 C HN 0.981 nan 8.230 nan 0.000 0.497 445 L N 4.504 125.421 121.223 -0.510 0.000 2.395 445 L HA 0.030 4.028 4.340 -0.569 0.000 0.218 445 L C 2.284 178.884 176.870 -0.451 0.000 1.130 445 L CA 1.277 55.892 54.840 -0.374 0.000 0.826 445 L CB -0.276 41.612 42.059 -0.286 0.000 0.941 445 L HN 0.881 nan 8.230 nan 0.000 0.451 446 S N -3.022 112.301 115.700 -0.627 0.000 2.554 446 S HA -0.025 4.103 4.470 -0.569 0.000 0.227 446 S C 1.957 176.207 174.600 -0.584 0.000 1.050 446 S CA -0.001 57.734 58.200 -0.775 0.000 0.927 446 S CB -0.365 62.012 63.200 -1.372 0.000 0.859 446 S HN 0.314 nan 8.310 nan 0.000 0.494 447 C N 2.180 121.123 119.300 -0.596 0.000 2.353 447 C HA -0.106 4.012 4.460 -0.569 0.000 0.272 447 C C 2.337 177.133 174.990 -0.324 0.000 1.165 447 C CA 1.697 60.352 59.018 -0.604 0.000 1.786 447 C CB -1.176 26.063 27.740 -0.836 0.000 2.071 447 C HN 0.625 nan 8.230 nan 0.000 0.451 448 E N -0.169 119.892 120.200 -0.232 0.000 2.465 448 E HA 0.215 4.223 4.350 -0.569 0.000 0.195 448 E C 1.731 178.296 176.600 -0.058 0.000 1.028 448 E CA -0.120 56.219 56.400 -0.102 0.000 0.899 448 E CB -0.174 29.480 29.700 -0.078 0.000 1.032 448 E HN 0.565 nan 8.360 nan 0.000 0.468 449 L N -0.246 120.940 121.223 -0.061 0.000 2.017 449 L HA -0.079 3.919 4.340 -0.569 0.000 0.208 449 L C 0.211 177.098 176.870 0.027 0.000 1.073 449 L CA 1.089 55.926 54.840 -0.005 0.000 0.745 449 L CB -0.048 42.024 42.059 0.022 0.000 0.894 449 L HN 0.081 nan 8.230 nan 0.000 0.432 450 N N -1.782 116.950 118.700 0.053 0.000 2.700 450 N HA 0.092 4.490 4.740 -0.569 0.000 0.242 450 N C -2.013 173.525 175.510 0.046 0.000 1.541 450 N CA -0.592 52.480 53.050 0.037 0.000 0.764 450 N CB 0.983 39.484 38.487 0.023 0.000 1.319 450 N HN -0.105 nan 8.380 nan 0.000 0.518 451 P HA -0.240 nan 4.420 nan 0.000 0.218 451 P C 0.506 177.841 177.300 0.060 0.000 1.150 451 P CA 1.532 64.673 63.100 0.069 0.000 0.841 451 P CB 0.608 32.350 31.700 0.070 0.000 0.784 452 E N -0.619 119.600 120.200 0.032 0.000 2.102 452 E HA -0.046 3.963 4.350 -0.569 0.000 0.190 452 E C 2.271 178.873 176.600 0.002 0.000 0.971 452 E CA 0.587 56.998 56.400 0.019 0.000 0.821 452 E CB -0.394 29.311 29.700 0.008 0.000 0.777 452 E HN 0.312 nan 8.360 nan 0.000 0.460 453 R N -0.202 120.288 120.500 -0.015 0.000 2.173 453 R HA 0.078 4.077 4.340 -0.569 0.000 0.208 453 R C -0.072 176.182 176.300 -0.076 0.000 1.035 453 R CA 0.525 56.594 56.100 -0.051 0.000 1.004 453 R CB 0.381 30.639 30.300 -0.069 0.000 0.917 453 R HN 0.013 nan 8.270 nan 0.000 0.462 454 c N 0.837 119.403 118.600 -0.057 0.000 2.344 454 c HA 0.413 4.642 4.570 -0.569 0.000 0.326 454 c C 0.009 174.102 174.090 0.006 0.000 1.201 454 c CA -0.698 55.545 56.329 -0.142 0.000 1.410 454 c CB 1.423 43.784 42.510 -0.248 0.000 2.070 454 c HN 0.518 nan 8.230 nan 0.000 0.445 455 Q N 0.360 120.166 119.800 0.011 0.000 2.113 455 Q HA 0.190 4.188 4.340 -0.569 0.000 0.225 455 Q C -0.900 175.211 176.000 0.185 0.000 0.786 455 Q CA 0.099 55.986 55.803 0.141 0.000 0.989 455 Q CB 1.350 30.165 28.738 0.129 0.000 1.174 455 Q HN 0.792 nan 8.270 nan 0.000 0.470 456 Y N 0.523 120.795 120.300 -0.048 0.000 2.402 456 Y HA 0.400 4.609 4.550 -0.569 0.000 0.325 456 Y C -1.603 174.291 175.900 -0.009 0.000 1.009 456 Y CA -1.076 57.047 58.100 0.038 0.000 1.278 456 Y CB 0.723 39.217 38.460 0.057 0.000 1.105 456 Y HN -0.098 nan 8.280 nan 0.000 0.476 457 Y N 1.976 122.296 120.300 0.033 0.000 2.598 457 Y HA 0.718 4.927 4.550 -0.569 0.000 0.340 457 Y C 0.100 176.064 175.900 0.108 0.000 1.038 457 Y CA -0.724 57.415 58.100 0.064 0.000 1.100 457 Y CB 2.326 40.754 38.460 -0.052 0.000 1.281 457 Y HN 0.484 nan 8.280 nan 0.000 0.488 458 S N 0.538 116.466 115.700 0.380 0.000 2.627 458 S HA 0.984 5.113 4.470 -0.569 0.000 0.283 458 S C -1.312 173.446 174.600 0.264 0.000 1.127 458 S CA -0.569 57.827 58.200 0.327 0.000 0.863 458 S CB 2.034 65.508 63.200 0.458 0.000 1.121 458 S HN 1.104 nan 8.310 nan 0.000 0.479 459 A N 0.443 123.410 122.820 0.245 0.000 2.556 459 A HA 0.886 4.865 4.320 -0.569 0.000 0.294 459 A C -0.720 177.027 177.584 0.272 0.000 1.091 459 A CA -0.658 51.505 52.037 0.211 0.000 0.704 459 A CB 1.700 20.780 19.000 0.133 0.000 1.300 459 A HN 1.407 nan 8.150 nan 0.000 0.406 460 S N 0.621 116.463 115.700 0.237 0.000 2.756 460 S HA 0.695 4.823 4.470 -0.569 0.000 0.303 460 S C -1.442 173.299 174.600 0.234 0.000 1.135 460 S CA -0.350 58.059 58.200 0.349 0.000 1.066 460 S CB -0.171 63.290 63.200 0.436 0.000 1.008 460 S HN 0.443 nan 8.310 nan 0.000 0.482 461 F N 3.036 123.009 119.950 0.037 0.000 2.379 461 F HA 0.490 4.676 4.527 -0.570 0.000 0.332 461 F C 1.360 176.747 175.800 -0.688 0.000 1.096 461 F CA -0.371 57.478 58.000 -0.251 0.000 1.105 461 F CB 1.520 40.364 39.000 -0.261 0.000 1.189 461 F HN 0.626 nan 8.300 nan 0.000 0.515 462 S N 1.225 116.320 115.700 -1.009 0.000 2.641 462 S HA 0.311 4.440 4.470 -0.569 0.000 0.261 462 S C -0.178 174.250 174.600 -0.287 0.000 1.257 462 S CA -1.020 56.487 58.200 -1.155 0.000 0.983 462 S CB 0.184 62.649 63.200 -1.225 0.000 0.990 462 S HN 0.653 nan 8.310 nan 0.000 0.572 463 N N 0.934 119.592 118.700 -0.070 0.000 2.441 463 N HA 0.106 4.505 4.740 -0.569 0.000 0.251 463 N C -0.013 175.518 175.510 0.035 0.000 1.242 463 N CA -0.150 52.926 53.050 0.044 0.000 0.898 463 N CB 0.080 38.634 38.487 0.112 0.000 1.100 463 N HN 0.649 nan 8.380 nan 0.000 0.443 464 K N 0.608 121.039 120.400 0.051 0.000 3.426 464 K HA -0.307 3.671 4.320 -0.569 0.000 0.315 464 K C 0.067 176.682 176.600 0.024 0.000 1.293 464 K CA 0.546 56.864 56.287 0.051 0.000 0.955 464 K CB -1.304 31.236 32.500 0.066 0.000 1.238 464 K HN 0.878 nan 8.250 nan 0.000 0.441 465 A N -0.121 122.697 122.820 -0.004 0.000 2.745 465 A HA -0.322 3.656 4.320 -0.569 0.000 0.296 465 A C 1.071 178.653 177.584 -0.003 0.000 1.500 465 A CA 1.998 54.045 52.037 0.018 0.000 0.766 465 A CB -1.364 17.549 19.000 -0.145 0.000 1.030 465 A HN 0.514 nan 8.150 nan 0.000 0.489 466 K N -2.018 118.323 120.400 -0.098 0.000 2.186 466 K HA 0.157 4.136 4.320 -0.569 0.000 0.202 466 K C 0.111 176.360 176.600 -0.585 0.000 1.052 466 K CA 1.275 57.376 56.287 -0.310 0.000 0.965 466 K CB 0.170 32.464 32.500 -0.344 0.000 0.746 466 K HN 0.712 nan 8.250 nan 0.000 0.457 467 Y N -0.814 119.422 120.300 -0.106 0.000 2.605 467 Y HA 0.344 4.553 4.550 -0.569 0.000 0.343 467 Y C -0.749 174.975 175.900 -0.294 0.000 1.036 467 Y CA -1.597 56.415 58.100 -0.147 0.000 1.065 467 Y CB 1.662 40.087 38.460 -0.057 0.000 1.288 467 Y HN -0.037 nan 8.280 nan 0.000 0.481 468 Y N -1.210 118.984 120.300 -0.176 0.000 2.558 468 Y HA 0.501 4.709 4.550 -0.570 0.000 0.333 468 Y C -1.389 174.496 175.900 -0.026 0.000 1.125 468 Y CA -1.477 56.364 58.100 -0.432 0.000 1.039 468 Y CB 1.437 39.009 38.460 -1.479 0.000 1.331 468 Y HN 0.614 nan 8.280 nan 0.000 0.456 469 Q N 3.351 123.270 119.800 0.198 0.000 2.241 469 Q HA 0.598 4.597 4.340 -0.569 0.000 0.254 469 Q C -1.840 174.258 176.000 0.163 0.000 0.917 469 Q CA -0.765 55.124 55.803 0.144 0.000 0.919 469 Q CB 1.494 30.319 28.738 0.145 0.000 1.237 469 Q HN 0.960 nan 8.270 nan 0.000 0.434 470 L N 4.258 125.570 121.223 0.148 0.000 2.317 470 L HA 0.561 4.559 4.340 -0.569 0.000 0.281 470 L C -0.491 176.405 176.870 0.043 0.000 1.024 470 L CA -0.649 54.278 54.840 0.145 0.000 0.810 470 L CB 1.512 43.633 42.059 0.103 0.000 1.240 470 L HN 0.662 nan 8.230 nan 0.000 0.427 471 R N 2.689 123.179 120.500 -0.016 0.000 2.409 471 R HA 0.344 4.342 4.340 -0.569 0.000 0.313 471 R C -1.107 174.762 176.300 -0.718 0.000 0.953 471 R CA -0.522 55.261 56.100 -0.529 0.000 0.849 471 R CB 1.772 31.813 30.300 -0.432 0.000 1.171 471 R HN 0.553 nan 8.270 nan 0.000 0.458 472 c N 4.637 122.650 118.600 -0.979 0.000 2.273 472 c HA 0.478 4.707 4.570 -0.569 0.000 0.328 472 c C 0.393 173.968 174.090 -0.858 0.000 1.275 472 c CA -0.564 55.172 56.329 -0.988 0.000 1.704 472 c CB -0.746 41.236 42.510 -0.880 0.000 2.326 472 c HN 0.966 nan 8.230 nan 0.000 0.517 473 F N 4.434 124.264 119.950 -0.200 0.000 2.653 473 F HA 0.482 4.668 4.527 -0.568 0.000 0.304 473 F C 1.435 177.205 175.800 -0.050 0.000 1.092 473 F CA 0.663 58.617 58.000 -0.078 0.000 1.279 473 F CB 0.207 39.189 39.000 -0.031 0.000 1.044 473 F HN 1.015 nan 8.300 nan 0.000 0.564 474 G N 0.265 109.078 108.800 0.022 0.000 2.359 474 G HA2 0.074 3.693 3.960 -0.569 0.000 0.293 474 G HA3 0.074 3.693 3.960 -0.569 0.000 0.293 474 G C -2.515 172.388 174.900 0.005 0.000 1.300 474 G CA -0.687 44.439 45.100 0.043 0.000 0.888 474 G HN -0.293 nan 8.290 nan 0.000 0.541 475 P HA 0.111 nan 4.420 nan 0.000 0.230 475 P C 1.274 178.612 177.300 0.062 0.000 1.158 475 P CA 1.529 64.666 63.100 0.063 0.000 0.769 475 P CB 0.211 31.940 31.700 0.047 0.000 0.807 476 G N 0.289 109.063 108.800 -0.043 0.000 2.510 476 G HA2 0.415 4.033 3.960 -0.569 0.000 0.280 476 G HA3 0.415 4.033 3.960 -0.569 0.000 0.280 476 G C -0.311 174.373 174.900 -0.361 0.000 1.386 476 G CA -0.788 44.218 45.100 -0.157 0.000 1.047 476 G HN 0.034 nan 8.290 nan 0.000 0.527 477 L N 1.321 122.238 121.223 -0.510 0.000 2.490 477 L HA 0.142 4.140 4.340 -0.569 0.000 0.274 477 L C -1.869 174.814 176.870 -0.312 0.000 1.201 477 L CA -1.204 53.257 54.840 -0.631 0.000 0.869 477 L CB 0.531 42.318 42.059 -0.453 0.000 1.123 477 L HN 0.231 nan 8.230 nan 0.000 0.484 478 P HA -0.014 nan 4.420 nan 0.000 0.264 478 P C -0.908 176.313 177.300 -0.132 0.000 1.179 478 P CA 0.130 63.149 63.100 -0.135 0.000 0.763 478 P CB 0.502 32.267 31.700 0.108 0.000 0.806 479 L N 4.650 125.684 121.223 -0.316 0.000 2.476 479 L HA 0.470 4.468 4.340 -0.569 0.000 0.269 479 L C -1.816 174.853 176.870 -0.335 0.000 0.965 479 L CA -0.587 54.140 54.840 -0.188 0.000 0.845 479 L CB 0.957 42.916 42.059 -0.167 0.000 1.259 479 L HN 0.193 nan 8.230 nan 0.000 0.403 480 Y N 2.574 122.788 120.300 -0.143 0.000 2.341 480 Y HA 0.804 5.012 4.550 -0.570 0.000 0.337 480 Y C 0.573 176.354 175.900 -0.198 0.000 1.014 480 Y CA -0.480 57.526 58.100 -0.155 0.000 1.111 480 Y CB 2.140 40.510 38.460 -0.150 0.000 1.194 480 Y HN 0.685 nan 8.280 nan 0.000 0.462 481 T N 1.278 115.810 114.554 -0.036 0.000 2.896 481 T HA 0.605 4.613 4.350 -0.569 0.000 0.297 481 T C -1.624 172.983 174.700 -0.155 0.000 1.108 481 T CA -0.928 61.096 62.100 -0.126 0.000 1.004 481 T CB 1.862 70.707 68.868 -0.038 0.000 1.159 481 T HN 0.519 nan 8.240 nan 0.000 0.499 482 L N 2.045 123.064 121.223 -0.340 0.000 2.322 482 L HA 0.641 4.639 4.340 -0.569 0.000 0.281 482 L C -1.370 175.194 176.870 -0.510 0.000 1.014 482 L CA -0.420 54.256 54.840 -0.273 0.000 0.815 482 L CB 1.134 43.067 42.059 -0.209 0.000 1.247 482 L HN 0.943 nan 8.230 nan 0.000 0.421 483 H N 1.268 120.071 119.070 -0.444 0.000 2.865 483 H HA 0.446 4.660 4.556 -0.569 0.000 0.372 483 H C -0.654 174.453 175.328 -0.369 0.000 1.173 483 H CA -0.450 55.265 56.048 -0.554 0.000 1.147 483 H CB 1.986 31.104 29.762 -1.073 0.000 1.805 483 H HN 0.516 nan 8.280 nan 0.000 0.553 484 S N -0.062 115.615 115.700 -0.038 0.000 2.525 484 S HA 0.239 4.367 4.470 -0.569 0.000 0.290 484 S C 0.579 175.184 174.600 0.010 0.000 1.152 484 S CA -0.568 57.636 58.200 0.006 0.000 1.072 484 S CB 0.885 64.120 63.200 0.058 0.000 1.027 484 S HN 0.631 nan 8.310 nan 0.000 0.500 485 S N 2.745 118.429 115.700 -0.027 0.000 2.461 485 S HA -0.057 4.071 4.470 -0.569 0.000 0.228 485 S C 2.064 176.682 174.600 0.029 0.000 1.005 485 S CA 1.027 59.295 58.200 0.114 0.000 0.942 485 S CB -0.195 63.061 63.200 0.093 0.000 0.776 485 S HN 0.879 nan 8.310 nan 0.000 0.514 486 S N 2.069 117.748 115.700 -0.036 0.000 2.362 486 S HA -0.042 4.087 4.470 -0.569 0.000 0.221 486 S C 1.818 176.418 174.600 -0.001 0.000 1.032 486 S CA 1.122 59.311 58.200 -0.017 0.000 0.973 486 S CB -0.508 62.673 63.200 -0.032 0.000 0.849 486 S HN 0.526 nan 8.310 nan 0.000 0.465 487 S N 0.144 115.848 115.700 0.007 0.000 2.540 487 S HA 0.229 4.357 4.470 -0.569 0.000 0.218 487 S C 0.100 174.715 174.600 0.025 0.000 0.977 487 S CA 0.332 58.541 58.200 0.016 0.000 0.918 487 S CB -0.271 62.941 63.200 0.020 0.000 0.806 487 S HN 0.298 nan 8.310 nan 0.000 0.496 488 D N 1.091 121.519 120.400 0.047 0.000 3.059 488 D HA -0.190 4.108 4.640 -0.569 0.000 0.222 488 D C 0.101 176.452 176.300 0.085 0.000 1.185 488 D CA 1.412 55.460 54.000 0.080 0.000 0.904 488 D CB -1.111 39.710 40.800 0.034 0.000 1.122 488 D HN 0.706 nan 8.370 nan 0.000 0.410 489 K N 1.124 121.555 120.400 0.051 0.000 2.237 489 K HA 0.115 4.093 4.320 -0.569 0.000 0.270 489 K C 0.192 176.781 176.600 -0.018 0.000 1.015 489 K CA -0.284 56.019 56.287 0.025 0.000 0.949 489 K CB 0.671 33.175 32.500 0.007 0.000 0.976 489 K HN 0.025 nan 8.250 nan 0.000 0.472 490 E N 5.785 125.930 120.200 -0.092 0.000 1.963 490 E HA 0.009 4.017 4.350 -0.569 0.000 0.274 490 E C 0.885 177.318 176.600 -0.279 0.000 1.061 490 E CA -0.537 55.636 56.400 -0.377 0.000 0.847 490 E CB 0.337 29.845 29.700 -0.320 0.000 1.083 490 E HN 0.594 nan 8.360 nan 0.000 0.402 491 L N 4.020 125.082 121.223 -0.269 0.000 2.013 491 L HA -0.159 3.839 4.340 -0.569 0.000 0.212 491 L C 1.395 178.167 176.870 -0.164 0.000 1.073 491 L CA 1.916 56.663 54.840 -0.155 0.000 0.753 491 L CB -1.672 40.320 42.059 -0.112 0.000 0.890 491 L HN 0.737 nan 8.230 nan 0.000 0.432 492 R N -2.655 117.703 120.500 -0.236 0.000 2.780 492 R HA 0.395 4.393 4.340 -0.569 0.000 0.280 492 R C -1.688 174.467 176.300 -0.241 0.000 1.016 492 R CA -0.768 55.213 56.100 -0.198 0.000 0.854 492 R CB 1.441 31.649 30.300 -0.154 0.000 1.293 492 R HN -0.260 nan 8.270 nan 0.000 0.483 493 V N 2.866 122.663 119.914 -0.195 0.000 2.364 493 V HA 0.224 4.003 4.120 -0.569 0.000 0.272 493 V C 1.328 177.267 176.094 -0.259 0.000 1.036 493 V CA -0.490 61.695 62.300 -0.191 0.000 0.880 493 V CB 1.138 32.887 31.823 -0.123 0.000 0.991 493 V HN 0.627 nan 8.190 nan 0.000 0.460 494 L N 2.761 123.753 121.223 -0.385 0.000 2.162 494 L HA 0.241 4.240 4.340 -0.569 0.000 0.205 494 L C 0.758 177.381 176.870 -0.411 0.000 1.086 494 L CA 0.829 55.242 54.840 -0.711 0.000 0.778 494 L CB 0.166 41.395 42.059 -1.384 0.000 0.928 494 L HN 0.676 nan 8.230 nan 0.000 0.446 495 E N -0.138 119.954 120.200 -0.180 0.000 2.406 495 E HA 0.075 4.084 4.350 -0.569 0.000 0.297 495 E C -1.201 175.423 176.600 0.040 0.000 0.917 495 E CA -0.328 56.055 56.400 -0.029 0.000 0.795 495 E CB 1.022 30.718 29.700 -0.006 0.000 1.285 495 E HN 0.147 nan 8.360 nan 0.000 0.400 496 D N 3.335 123.740 120.400 0.008 0.000 2.469 496 D HA 0.130 4.429 4.640 -0.569 0.000 0.215 496 D C -0.293 176.005 176.300 -0.005 0.000 1.154 496 D CA -0.255 53.744 54.000 -0.001 0.000 0.832 496 D CB -0.062 40.721 40.800 -0.030 0.000 1.008 496 D HN 0.464 nan 8.370 nan 0.000 0.506 497 N N 0.743 119.451 118.700 0.014 0.000 2.735 497 N HA -0.214 4.185 4.740 -0.569 0.000 0.248 497 N C 1.018 176.527 175.510 -0.003 0.000 1.083 497 N CA 0.927 53.983 53.050 0.011 0.000 0.703 497 N CB -1.358 37.133 38.487 0.008 0.000 1.005 497 N HN 0.495 nan 8.380 nan 0.000 0.550 498 S N -1.312 114.385 115.700 -0.004 0.000 2.419 498 S HA -0.033 4.096 4.470 -0.569 0.000 0.233 498 S C 2.053 176.662 174.600 0.015 0.000 1.016 498 S CA 0.926 59.124 58.200 -0.003 0.000 0.974 498 S CB -0.027 63.170 63.200 -0.005 0.000 0.786 498 S HN 0.499 nan 8.310 nan 0.000 0.492 499 A N 1.966 124.800 122.820 0.024 0.000 1.873 499 A HA 0.117 4.095 4.320 -0.569 0.000 0.215 499 A C 2.208 179.835 177.584 0.072 0.000 1.186 499 A CA 1.472 53.533 52.037 0.040 0.000 0.616 499 A CB -0.889 18.131 19.000 0.033 0.000 0.823 499 A HN 0.532 nan 8.150 nan 0.000 0.442 500 L N 0.472 121.743 121.223 0.081 0.000 2.046 500 L HA -0.161 3.837 4.340 -0.569 0.000 0.208 500 L C 1.872 178.804 176.870 0.104 0.000 1.077 500 L CA 2.807 57.728 54.840 0.134 0.000 0.747 500 L CB -0.858 41.276 42.059 0.125 0.000 0.896 500 L HN 0.502 nan 8.230 nan 0.000 0.432 501 D N -0.728 119.695 120.400 0.037 0.000 2.116 501 D HA -0.288 4.011 4.640 -0.569 0.000 0.193 501 D C 2.181 178.508 176.300 0.044 0.000 0.998 501 D CA 1.539 55.545 54.000 0.011 0.000 0.836 501 D CB -0.000 40.790 40.800 -0.016 0.000 0.951 501 D HN 0.228 nan 8.370 nan 0.000 0.449 502 K N -0.061 120.373 120.400 0.056 0.000 2.009 502 K HA -0.135 3.843 4.320 -0.569 0.000 0.210 502 K C 2.125 178.789 176.600 0.107 0.000 1.049 502 K CA 1.575 57.902 56.287 0.067 0.000 0.929 502 K CB -0.366 32.169 32.500 0.059 0.000 0.714 502 K HN 0.227 nan 8.250 nan 0.000 0.440 503 M N 0.027 119.725 119.600 0.163 0.000 2.108 503 M HA -0.163 3.975 4.480 -0.569 0.000 0.261 503 M C 2.051 178.525 176.300 0.290 0.000 1.066 503 M CA 1.571 57.041 55.300 0.282 0.000 1.107 503 M CB -0.356 32.505 32.600 0.435 0.000 1.356 503 M HN 0.121 nan 8.290 nan 0.000 0.406 504 L N 0.163 121.484 121.223 0.164 0.000 2.291 504 L HA -0.176 3.823 4.340 -0.569 0.000 0.214 504 L C 2.608 179.497 176.870 0.033 0.000 1.120 504 L CA 0.826 55.681 54.840 0.025 0.000 0.799 504 L CB -0.690 41.358 42.059 -0.020 0.000 0.925 504 L HN 0.475 nan 8.230 nan 0.000 0.446 505 Q N -0.801 119.032 119.800 0.055 0.000 2.488 505 Q HA -0.185 3.814 4.340 -0.569 0.000 0.211 505 Q C 1.232 177.269 176.000 0.062 0.000 0.967 505 Q CA 1.097 56.926 55.803 0.043 0.000 0.926 505 Q CB -0.181 28.580 28.738 0.037 0.000 0.992 505 Q HN 0.407 nan 8.270 nan 0.000 0.506 506 D N 0.706 121.160 120.400 0.090 0.000 2.339 506 D HA 0.055 4.354 4.640 -0.569 0.000 0.217 506 D C -0.481 175.888 176.300 0.115 0.000 1.050 506 D CA 0.004 54.067 54.000 0.105 0.000 0.856 506 D CB 1.003 41.882 40.800 0.132 0.000 0.922 506 D HN 0.130 nan 8.370 nan 0.000 0.518 507 V N 0.804 120.774 119.914 0.094 0.000 2.876 507 V HA 0.287 4.066 4.120 -0.569 0.000 0.312 507 V C -1.005 175.127 176.094 0.064 0.000 1.085 507 V CA -0.712 61.642 62.300 0.090 0.000 0.945 507 V CB 2.127 33.995 31.823 0.074 0.000 1.017 507 V HN -0.116 nan 8.190 nan 0.000 0.428 508 Q N 5.854 125.710 119.800 0.093 0.000 2.513 508 Q HA 0.297 4.296 4.340 -0.569 0.000 0.227 508 Q C -0.354 175.679 176.000 0.055 0.000 1.257 508 Q CA -0.059 55.803 55.803 0.099 0.000 0.915 508 Q CB 0.469 29.304 28.738 0.160 0.000 1.507 508 Q HN 0.571 nan 8.270 nan 0.000 0.543 509 M N 3.779 123.379 119.600 -0.000 0.000 2.255 509 M HA 0.340 4.478 4.480 -0.569 0.000 0.336 509 M C -1.923 174.340 176.300 -0.061 0.000 1.135 509 M CA -2.164 53.105 55.300 -0.053 0.000 1.145 509 M CB 0.172 32.727 32.600 -0.075 0.000 1.473 509 M HN 0.334 nan 8.290 nan 0.000 0.462 510 P HA 0.296 nan 4.420 nan 0.000 0.279 510 P C -1.017 176.208 177.300 -0.124 0.000 1.276 510 P CA -0.420 62.611 63.100 -0.116 0.000 0.801 510 P CB 0.764 32.376 31.700 -0.146 0.000 1.127 511 S N -1.036 114.574 115.700 -0.149 0.000 2.568 511 S HA 0.546 4.675 4.470 -0.569 0.000 0.302 511 S C -0.549 173.959 174.600 -0.154 0.000 1.082 511 S CA -0.832 57.289 58.200 -0.132 0.000 1.009 511 S CB 1.780 64.903 63.200 -0.128 0.000 1.069 511 S HN 0.469 nan 8.310 nan 0.000 0.500 512 K N 1.379 121.716 120.400 -0.106 0.000 2.307 512 K HA 0.383 4.361 4.320 -0.569 0.000 0.263 512 K C -1.041 175.515 176.600 -0.074 0.000 0.973 512 K CA -0.505 55.725 56.287 -0.095 0.000 0.846 512 K CB 0.960 33.423 32.500 -0.062 0.000 1.100 512 K HN 0.730 nan 8.250 nan 0.000 0.438 513 K N 5.340 125.686 120.400 -0.090 0.000 2.292 513 K HA 0.336 4.315 4.320 -0.569 0.000 0.257 513 K C -1.448 175.119 176.600 -0.055 0.000 0.940 513 K CA -0.763 55.484 56.287 -0.067 0.000 0.811 513 K CB 0.985 33.427 32.500 -0.097 0.000 1.120 513 K HN 0.424 nan 8.250 nan 0.000 0.428 514 L N 3.268 124.479 121.223 -0.020 0.000 2.329 514 L HA 0.485 4.484 4.340 -0.569 0.000 0.279 514 L C -0.290 176.552 176.870 -0.046 0.000 1.014 514 L CA -0.041 54.802 54.840 0.005 0.000 0.814 514 L CB 1.699 43.853 42.059 0.158 0.000 1.257 514 L HN 0.792 nan 8.230 nan 0.000 0.424 515 D N 0.705 120.915 120.400 -0.318 0.000 2.838 515 D HA 0.644 4.942 4.640 -0.569 0.000 0.334 515 D C -1.612 174.349 176.300 -0.564 0.000 1.315 515 D CA -0.146 53.608 54.000 -0.409 0.000 0.917 515 D CB 2.152 42.754 40.800 -0.330 0.000 1.435 515 D HN 0.121 nan 8.370 nan 0.000 0.517 516 V N 0.767 120.465 119.914 -0.359 0.000 3.102 516 V HA 0.719 4.497 4.120 -0.569 0.000 0.312 516 V C -0.232 175.971 176.094 0.182 0.000 1.135 516 V CA -0.735 61.428 62.300 -0.228 0.000 1.022 516 V CB 2.057 33.507 31.823 -0.622 0.000 1.056 516 V HN 0.582 nan 8.190 nan 0.000 0.436 517 I N -0.436 120.278 120.570 0.240 0.000 3.102 517 I HA 0.707 4.535 4.170 -0.569 0.000 0.310 517 I C -1.314 174.895 176.117 0.152 0.000 1.246 517 I CA -0.825 60.586 61.300 0.184 0.000 0.979 517 I CB 2.715 40.787 38.000 0.121 0.000 1.267 517 I HN 0.445 nan 8.210 nan 0.000 0.451 518 N N 3.016 121.756 118.700 0.067 0.000 2.399 518 N HA 0.786 5.184 4.740 -0.569 0.000 0.295 518 N C -1.528 174.007 175.510 0.041 0.000 1.048 518 N CA -0.332 52.754 53.050 0.061 0.000 0.886 518 N CB 1.877 40.363 38.487 -0.000 0.000 1.185 518 N HN 0.531 nan 8.380 nan 0.000 0.487 519 L N 2.306 123.597 121.223 0.113 0.000 2.476 519 L HA 0.308 4.306 4.340 -0.569 0.000 0.269 519 L C -0.603 176.165 176.870 -0.171 0.000 0.965 519 L CA -0.742 53.993 54.840 -0.175 0.000 0.845 519 L CB 1.461 43.437 42.059 -0.138 0.000 1.259 519 L HN 0.827 nan 8.230 nan 0.000 0.403 520 H N 1.060 120.197 119.070 0.111 0.000 2.791 520 H HA -0.191 4.023 4.556 -0.570 0.000 0.302 520 H C 1.231 176.591 175.328 0.053 0.000 1.198 520 H CA 0.854 56.942 56.048 0.067 0.000 1.145 520 H CB -1.594 28.206 29.762 0.062 0.000 1.385 520 H HN 1.103 nan 8.280 nan 0.000 0.409 521 G N -1.229 107.615 108.800 0.074 0.000 2.168 521 G HA2 -0.334 3.285 3.960 -0.569 0.000 0.263 521 G HA3 -0.334 3.285 3.960 -0.569 0.000 0.263 521 G C 0.294 175.200 174.900 0.009 0.000 0.977 521 G CA 0.647 45.769 45.100 0.037 0.000 0.659 521 G HN 0.738 nan 8.290 nan 0.000 0.533 522 T N 0.969 115.532 114.554 0.016 0.000 2.823 522 T HA 0.555 4.563 4.350 -0.569 0.000 0.279 522 T C 0.190 174.686 174.700 -0.339 0.000 0.998 522 T CA -0.360 61.628 62.100 -0.187 0.000 0.994 522 T CB 1.603 70.300 68.868 -0.284 0.000 0.960 522 T HN 0.593 nan 8.240 nan 0.000 0.448 523 K N 2.534 122.714 120.400 -0.367 0.000 2.258 523 K HA 0.577 4.556 4.320 -0.569 0.000 0.284 523 K C -1.285 175.057 176.600 -0.429 0.000 1.051 523 K CA -0.443 55.682 56.287 -0.271 0.000 0.923 523 K CB 0.534 32.924 32.500 -0.183 0.000 1.046 523 K HN 0.363 nan 8.250 nan 0.000 0.474 524 F N 1.371 121.384 119.950 0.105 0.000 2.561 524 F HA 0.438 4.624 4.527 -0.568 0.000 0.321 524 F C -0.463 175.430 175.800 0.156 0.000 1.065 524 F CA -0.900 57.193 58.000 0.154 0.000 0.934 524 F CB 1.168 40.244 39.000 0.126 0.000 1.215 524 F HN 0.501 nan 8.300 nan 0.000 0.471 525 W N 1.590 123.072 121.300 0.302 0.000 2.359 525 W HA 0.545 4.863 4.660 -0.570 0.000 0.344 525 W C -0.801 175.967 176.519 0.416 0.000 1.170 525 W CA -0.434 57.075 57.345 0.274 0.000 1.296 525 W CB 0.779 30.328 29.460 0.148 0.000 1.197 525 W HN 0.415 nan 8.180 nan 0.000 0.618 526 Y N -0.588 120.071 120.300 0.599 0.000 2.638 526 Y HA 0.604 4.812 4.550 -0.570 0.000 0.335 526 Y C -1.130 174.997 175.900 0.378 0.000 1.155 526 Y CA -1.825 56.614 58.100 0.566 0.000 1.046 526 Y CB 0.963 39.930 38.460 0.845 0.000 1.303 526 Y HN 0.586 nan 8.280 nan 0.000 0.460 527 Q N 2.415 122.464 119.800 0.415 0.000 2.456 527 Q HA 0.816 4.814 4.340 -0.569 0.000 0.283 527 Q C -1.773 174.334 176.000 0.180 0.000 1.084 527 Q CA -1.262 54.648 55.803 0.179 0.000 0.801 527 Q CB 3.500 32.313 28.738 0.125 0.000 1.434 527 Q HN 0.841 nan 8.270 nan 0.000 0.419 528 M N 2.068 121.693 119.600 0.042 0.000 2.271 528 M HA 0.420 4.559 4.480 -0.569 0.000 0.285 528 M C -1.388 174.828 176.300 -0.140 0.000 1.059 528 M CA -0.830 54.434 55.300 -0.062 0.000 0.940 528 M CB 2.316 34.850 32.600 -0.110 0.000 1.636 528 M HN 0.598 nan 8.290 nan 0.000 0.460 529 I N 5.037 125.516 120.570 -0.152 0.000 2.297 529 I HA 0.364 4.192 4.170 -0.569 0.000 0.291 529 I C -0.361 175.584 176.117 -0.287 0.000 1.033 529 I CA -0.270 60.918 61.300 -0.187 0.000 1.253 529 I CB 0.270 38.181 38.000 -0.149 0.000 1.396 529 I HN 0.646 nan 8.210 nan 0.000 0.476 530 L N 8.309 129.305 121.223 -0.379 0.000 2.307 530 L HA 0.431 4.430 4.340 -0.569 0.000 0.282 530 L C -2.164 174.482 176.870 -0.374 0.000 1.051 530 L CA -1.779 52.717 54.840 -0.574 0.000 0.804 530 L CB 1.056 42.564 42.059 -0.920 0.000 1.197 530 L HN 0.255 nan 8.230 nan 0.000 0.431 531 P HA 0.095 nan 4.420 nan 0.000 0.269 531 P C -2.468 174.819 177.300 -0.023 0.000 1.215 531 P CA -0.864 62.158 63.100 -0.129 0.000 0.780 531 P CB -0.046 31.614 31.700 -0.067 0.000 0.898 532 P HA -0.007 nan 4.420 nan 0.000 0.267 532 P C -0.632 176.811 177.300 0.239 0.000 1.200 532 P CA 0.544 63.707 63.100 0.104 0.000 0.772 532 P CB -0.231 31.594 31.700 0.208 0.000 0.855 533 H N -1.386 117.723 119.070 0.064 0.000 2.692 533 H HA -0.213 4.001 4.556 -0.570 0.000 0.316 533 H C -0.184 175.215 175.328 0.118 0.000 1.176 533 H CA -0.004 56.089 56.048 0.075 0.000 1.142 533 H CB -2.530 27.268 29.762 0.060 0.000 1.475 533 H HN 0.288 nan 8.280 nan 0.000 0.423 534 F N 2.091 122.031 119.950 -0.017 0.000 2.571 534 F HA 0.137 4.323 4.527 -0.569 0.000 0.390 534 F C 0.582 176.390 175.800 0.013 0.000 1.043 534 F CA -0.584 57.367 58.000 -0.083 0.000 1.164 534 F CB 0.341 39.188 39.000 -0.255 0.000 1.049 534 F HN 0.333 nan 8.300 nan 0.000 0.552 535 D N 6.488 126.663 120.400 -0.374 0.000 2.473 535 D HA 0.115 4.413 4.640 -0.569 0.000 0.226 535 D C 0.777 176.728 176.300 -0.582 0.000 1.089 535 D CA -0.598 53.199 54.000 -0.337 0.000 0.883 535 D CB 0.683 41.435 40.800 -0.080 0.000 1.029 535 D HN 0.457 nan 8.370 nan 0.000 0.517 536 K N 2.071 122.041 120.400 -0.716 0.000 2.589 536 K HA -0.143 3.836 4.320 -0.569 0.000 0.195 536 K C 0.984 177.543 176.600 -0.067 0.000 1.042 536 K CA 0.513 56.544 56.287 -0.427 0.000 0.940 536 K CB -0.461 31.959 32.500 -0.132 0.000 0.776 536 K HN 0.270 nan 8.250 nan 0.000 0.487 537 S N 0.395 116.038 115.700 -0.096 0.000 2.324 537 S HA -0.036 4.093 4.470 -0.569 0.000 0.210 537 S C 0.856 175.441 174.600 -0.025 0.000 1.027 537 S CA -0.014 58.165 58.200 -0.035 0.000 0.945 537 S CB -0.091 63.077 63.200 -0.052 0.000 0.908 537 S HN 0.482 nan 8.310 nan 0.000 0.496 538 K N 1.378 121.727 120.400 -0.085 0.000 2.402 538 K HA -0.021 3.957 4.320 -0.569 0.000 0.265 538 K C -0.859 175.672 176.600 -0.114 0.000 0.978 538 K CA 0.517 56.698 56.287 -0.177 0.000 0.913 538 K CB 0.210 32.479 32.500 -0.385 0.000 0.954 538 K HN 0.226 nan 8.250 nan 0.000 0.511 539 K N 2.865 123.161 120.400 -0.173 0.000 2.367 539 K HA 0.182 4.161 4.320 -0.569 0.000 0.263 539 K C -1.343 175.191 176.600 -0.111 0.000 1.000 539 K CA -0.494 55.770 56.287 -0.038 0.000 0.891 539 K CB 0.844 33.321 32.500 -0.039 0.000 1.117 539 K HN 0.349 nan 8.250 nan 0.000 0.443 540 Y N 3.189 123.533 120.300 0.074 0.000 2.352 540 Y HA 0.243 4.451 4.550 -0.570 0.000 0.326 540 Y C -1.865 173.987 175.900 -0.081 0.000 1.166 540 Y CA -2.511 55.602 58.100 0.020 0.000 1.182 540 Y CB 0.546 39.075 38.460 0.114 0.000 1.216 540 Y HN 0.461 nan 8.280 nan 0.000 0.474 541 P HA 0.132 nan 4.420 nan 0.000 0.278 541 P C -0.912 176.237 177.300 -0.252 0.000 1.238 541 P CA -0.136 62.703 63.100 -0.435 0.000 0.794 541 P CB 1.584 32.638 31.700 -1.077 0.000 0.955 542 L N 3.703 124.829 121.223 -0.161 0.000 2.325 542 L HA 0.534 4.532 4.340 -0.569 0.000 0.278 542 L C -0.527 176.485 176.870 0.236 0.000 1.023 542 L CA -1.155 53.712 54.840 0.046 0.000 0.811 542 L CB 1.484 43.590 42.059 0.078 0.000 1.249 542 L HN 0.323 nan 8.230 nan 0.000 0.431 543 L N 5.843 127.221 121.223 0.258 0.000 2.404 543 L HA 0.430 4.428 4.340 -0.569 0.000 0.272 543 L C -1.034 176.042 176.870 0.343 0.000 0.980 543 L CA -0.644 54.421 54.840 0.374 0.000 0.836 543 L CB 1.819 44.064 42.059 0.309 0.000 1.238 543 L HN 0.479 nan 8.230 nan 0.000 0.408 544 I N 3.996 124.818 120.570 0.420 0.000 2.342 544 I HA 0.274 4.102 4.170 -0.569 0.000 0.291 544 I C 0.281 176.635 176.117 0.395 0.000 1.010 544 I CA -0.038 61.495 61.300 0.388 0.000 1.308 544 I CB 1.453 39.723 38.000 0.451 0.000 1.400 544 I HN 0.672 nan 8.210 nan 0.000 0.488 545 E N 6.258 126.655 120.200 0.328 0.000 2.129 545 E HA 0.503 4.512 4.350 -0.569 0.000 0.268 545 E C -1.626 175.046 176.600 0.120 0.000 0.900 545 E CA -0.432 56.088 56.400 0.201 0.000 0.755 545 E CB 2.011 31.915 29.700 0.340 0.000 1.117 545 E HN 0.432 nan 8.360 nan 0.000 0.410 546 V N 5.406 125.333 119.914 0.022 0.000 2.960 546 V HA 0.413 4.191 4.120 -0.569 0.000 0.315 546 V C -1.205 174.999 176.094 0.183 0.000 1.087 546 V CA -0.316 62.064 62.300 0.134 0.000 0.982 546 V CB 1.683 33.601 31.823 0.158 0.000 1.039 546 V HN 0.887 nan 8.190 nan 0.000 0.437 547 Y N 4.172 124.541 120.300 0.116 0.000 3.274 547 Y HA 0.587 4.794 4.550 -0.571 0.000 0.174 547 Y C 1.335 177.379 175.900 0.241 0.000 0.880 547 Y CA 1.263 59.461 58.100 0.163 0.000 1.793 547 Y CB -0.145 38.387 38.460 0.119 0.000 1.409 547 Y HN 1.351 nan 8.280 nan 0.000 0.368 548 A N 0.880 123.680 122.820 -0.032 0.000 2.905 548 A HA -0.080 3.898 4.320 -0.569 0.000 0.260 548 A C 0.790 178.063 177.584 -0.519 0.000 1.398 548 A CA 1.070 53.025 52.037 -0.136 0.000 0.840 548 A CB -2.346 16.723 19.000 0.114 0.000 1.059 548 A HN 1.078 nan 8.150 nan 0.000 0.647 549 G N -0.611 107.409 108.800 -1.299 0.000 2.504 549 G HA2 0.610 4.228 3.960 -0.569 0.000 0.288 549 G HA3 0.610 4.228 3.960 -0.569 0.000 0.288 549 G C -2.091 172.253 174.900 -0.927 0.000 1.182 549 G CA -1.161 42.835 45.100 -1.840 0.000 0.894 549 G HN 0.327 nan 8.290 nan 0.000 0.521 550 P HA -0.065 nan 4.420 nan 0.000 0.259 550 P C 0.702 177.745 177.300 -0.427 0.000 1.163 550 P CA 0.394 63.112 63.100 -0.636 0.000 0.760 550 P CB 0.469 31.381 31.700 -1.314 0.000 0.762 551 C N 2.728 121.880 119.300 -0.247 0.000 4.350 551 C HA -0.136 3.983 4.460 -0.569 0.000 0.302 551 C C 0.835 175.780 174.990 -0.075 0.000 1.390 551 C CA 0.980 59.842 59.018 -0.260 0.000 2.016 551 C CB -2.710 24.749 27.740 -0.468 0.000 1.271 551 C HN 0.785 nan 8.230 nan 0.000 0.760 552 S N 0.014 115.718 115.700 0.007 0.000 2.687 552 S HA 0.673 4.802 4.470 -0.569 0.000 0.283 552 S C -0.631 174.155 174.600 0.310 0.000 1.170 552 S CA -0.150 58.203 58.200 0.255 0.000 1.008 552 S CB 1.818 65.025 63.200 0.012 0.000 1.026 552 S HN 0.830 nan 8.310 nan 0.000 0.541 553 Q N 0.112 120.163 119.800 0.418 0.000 2.878 553 Q HA 0.317 4.316 4.340 -0.569 0.000 0.232 553 Q C -0.442 175.715 176.000 0.262 0.000 0.893 553 Q CA -0.528 55.479 55.803 0.339 0.000 0.742 553 Q CB 0.725 29.701 28.738 0.397 0.000 1.354 553 Q HN 0.611 nan 8.270 nan 0.000 0.466 554 K N 1.086 121.631 120.400 0.241 0.000 2.356 554 K HA 0.168 4.146 4.320 -0.569 0.000 0.195 554 K C 0.032 176.728 176.600 0.159 0.000 1.037 554 K CA 0.366 56.772 56.287 0.198 0.000 1.014 554 K CB 0.830 33.468 32.500 0.230 0.000 0.815 554 K HN 0.345 nan 8.250 nan 0.000 0.507 555 V N 4.031 124.046 119.914 0.169 0.000 2.318 555 V HA 0.110 3.889 4.120 -0.569 0.000 0.271 555 V C -0.413 175.729 176.094 0.081 0.000 1.030 555 V CA -0.633 61.759 62.300 0.153 0.000 0.844 555 V CB 0.754 32.716 31.823 0.232 0.000 1.015 555 V HN 0.303 nan 8.190 nan 0.000 0.460 556 D N 2.348 122.772 120.400 0.041 0.000 2.752 556 D HA 0.356 4.655 4.640 -0.569 0.000 0.313 556 D C 0.377 176.669 176.300 -0.014 0.000 1.225 556 D CA -0.064 53.944 54.000 0.013 0.000 0.976 556 D CB 1.520 42.321 40.800 0.002 0.000 1.443 556 D HN 0.314 nan 8.370 nan 0.000 0.515 557 T N -2.068 112.490 114.554 0.006 0.000 3.243 557 T HA 0.398 4.406 4.350 -0.569 0.000 0.264 557 T C 0.084 174.751 174.700 -0.056 0.000 1.000 557 T CA -0.462 61.645 62.100 0.012 0.000 0.901 557 T CB -0.784 68.135 68.868 0.085 0.000 1.083 557 T HN 0.271 nan 8.240 nan 0.000 0.559 558 V N 2.435 122.214 119.914 -0.225 0.000 2.649 558 V HA 0.386 4.164 4.120 -0.569 0.000 0.292 558 V C 0.094 176.173 176.094 -0.024 0.000 1.055 558 V CA -1.021 61.143 62.300 -0.226 0.000 1.023 558 V CB 0.399 31.958 31.823 -0.440 0.000 0.992 558 V HN 0.621 nan 8.190 nan 0.000 0.480 559 F N 6.178 126.092 119.950 -0.060 0.000 2.438 559 F HA 0.567 4.753 4.527 -0.568 0.000 0.356 559 F C 0.462 176.253 175.800 -0.015 0.000 1.099 559 F CA -0.202 57.778 58.000 -0.034 0.000 1.185 559 F CB 0.266 39.261 39.000 -0.009 0.000 1.115 559 F HN 0.414 nan 8.300 nan 0.000 0.526 560 R N 6.414 126.470 120.500 -0.740 0.000 2.533 560 R HA 0.375 4.374 4.340 -0.569 0.000 0.288 560 R C -1.889 174.022 176.300 -0.649 0.000 1.039 560 R CA -1.187 54.593 56.100 -0.534 0.000 0.909 560 R CB 1.763 31.921 30.300 -0.237 0.000 1.195 560 R HN 0.469 nan 8.270 nan 0.000 0.438 561 L N 3.203 124.168 121.223 -0.430 0.000 2.302 561 L HA 0.261 4.260 4.340 -0.569 0.000 0.285 561 L C 0.304 177.147 176.870 -0.046 0.000 1.090 561 L CA 0.303 54.969 54.840 -0.290 0.000 0.866 561 L CB 0.407 42.468 42.059 0.005 0.000 1.244 561 L HN 0.749 nan 8.230 nan 0.000 0.435 562 S N 1.689 117.272 115.700 -0.194 0.000 2.823 562 S HA 0.310 4.438 4.470 -0.569 0.000 0.316 562 S C 0.575 174.831 174.600 -0.574 0.000 1.116 562 S CA -0.674 57.362 58.200 -0.273 0.000 0.911 562 S CB 0.580 63.715 63.200 -0.109 0.000 1.276 562 S HN 0.524 nan 8.310 nan 0.000 0.565 563 W N 1.102 121.836 121.300 -0.943 0.000 2.402 563 W HA 0.160 4.482 4.660 -0.564 0.000 0.286 563 W C 2.305 178.720 176.519 -0.173 0.000 1.221 563 W CA 1.608 58.523 57.345 -0.715 0.000 1.257 563 W CB -0.966 28.184 29.460 -0.517 0.000 1.120 563 W HN 0.813 nan 8.180 nan 0.000 0.551 564 A N -0.350 122.380 122.820 -0.149 0.000 1.972 564 A HA -0.175 3.803 4.320 -0.569 0.000 0.219 564 A C 1.933 179.382 177.584 -0.225 0.000 1.169 564 A CA 2.300 54.203 52.037 -0.224 0.000 0.635 564 A CB -1.250 17.715 19.000 -0.057 0.000 0.810 564 A HN 0.275 nan 8.150 nan 0.000 0.446 565 T N -1.175 113.263 114.554 -0.193 0.000 2.720 565 T HA -0.209 3.799 4.350 -0.569 0.000 0.268 565 T C 1.799 176.489 174.700 -0.017 0.000 1.037 565 T CA 1.813 63.783 62.100 -0.216 0.000 1.144 565 T CB -0.443 68.136 68.868 -0.482 0.000 0.864 565 T HN 0.710 nan 8.240 nan 0.000 0.444 566 Y N 1.875 122.193 120.300 0.031 0.000 2.220 566 Y HA 0.076 4.284 4.550 -0.570 0.000 0.291 566 Y C 1.904 177.763 175.900 -0.067 0.000 1.129 566 Y CA 0.770 58.934 58.100 0.107 0.000 1.161 566 Y CB -0.711 37.815 38.460 0.110 0.000 0.997 566 Y HN 0.116 nan 8.280 nan 0.000 0.522 567 L N 0.215 120.968 121.223 -0.783 0.000 2.131 567 L HA -0.182 3.816 4.340 -0.569 0.000 0.210 567 L C 2.750 179.359 176.870 -0.435 0.000 1.092 567 L CA 1.254 55.593 54.840 -0.836 0.000 0.759 567 L CB -0.905 40.700 42.059 -0.758 0.000 0.903 567 L HN 0.412 nan 8.230 nan 0.000 0.435 568 A N -1.173 121.472 122.820 -0.293 0.000 1.878 568 A HA -0.145 3.833 4.320 -0.569 0.000 0.213 568 A C 2.506 180.025 177.584 -0.109 0.000 1.192 568 A CA 1.469 53.395 52.037 -0.184 0.000 0.619 568 A CB -0.565 18.323 19.000 -0.187 0.000 0.837 568 A HN 0.296 nan 8.150 nan 0.000 0.446 569 S N -0.947 114.709 115.700 -0.073 0.000 2.356 569 S HA -0.132 3.997 4.470 -0.569 0.000 0.223 569 S C 1.978 176.607 174.600 0.048 0.000 1.032 569 S CA 2.419 60.633 58.200 0.023 0.000 1.005 569 S CB -0.389 62.878 63.200 0.112 0.000 0.867 569 S HN 0.573 nan 8.310 nan 0.000 0.449 570 T N 1.066 115.630 114.554 0.016 0.000 3.021 570 T HA 0.188 4.196 4.350 -0.569 0.000 0.245 570 T C 1.363 176.050 174.700 -0.022 0.000 1.028 570 T CA 0.484 62.613 62.100 0.049 0.000 1.139 570 T CB -0.103 68.886 68.868 0.201 0.000 0.884 570 T HN 0.296 nan 8.240 nan 0.000 0.457 571 E N 1.327 121.424 120.200 -0.172 0.000 2.479 571 E HA 0.157 4.165 4.350 -0.569 0.000 0.193 571 E C -0.047 176.532 176.600 -0.035 0.000 1.049 571 E CA -0.082 56.249 56.400 -0.116 0.000 0.870 571 E CB -0.352 29.209 29.700 -0.232 0.000 0.944 571 E HN 0.417 nan 8.360 nan 0.000 0.492 572 N N 0.584 119.279 118.700 -0.008 0.000 2.725 572 N HA -0.193 4.206 4.740 -0.569 0.000 0.251 572 N C -0.958 174.631 175.510 0.131 0.000 1.031 572 N CA 0.450 53.566 53.050 0.110 0.000 0.720 572 N CB -1.147 37.461 38.487 0.200 0.000 0.930 572 N HN 0.241 nan 8.380 nan 0.000 0.543 573 I N 0.411 120.974 120.570 -0.012 0.000 2.493 573 I HA 0.392 4.221 4.170 -0.569 0.000 0.298 573 I C 0.518 176.586 176.117 -0.083 0.000 0.998 573 I CA -0.910 60.375 61.300 -0.024 0.000 1.137 573 I CB 1.481 39.469 38.000 -0.021 0.000 1.310 573 I HN -0.005 nan 8.210 nan 0.000 0.445 574 I N 5.895 126.424 120.570 -0.068 0.000 2.342 574 I HA 0.240 4.068 4.170 -0.569 0.000 0.291 574 I C -0.564 175.517 176.117 -0.061 0.000 1.010 574 I CA -0.557 60.666 61.300 -0.130 0.000 1.308 574 I CB 1.349 39.281 38.000 -0.114 0.000 1.400 574 I HN 0.168 nan 8.210 nan 0.000 0.488 575 V N 6.529 126.395 119.914 -0.080 0.000 2.357 575 V HA 0.647 4.426 4.120 -0.569 0.000 0.284 575 V C 0.258 176.358 176.094 0.010 0.000 1.018 575 V CA -0.424 61.879 62.300 0.005 0.000 0.841 575 V CB 1.201 33.024 31.823 -0.000 0.000 0.991 575 V HN 0.840 nan 8.190 nan 0.000 0.437 576 A N 3.943 126.792 122.820 0.048 0.000 2.354 576 A HA 0.968 4.946 4.320 -0.569 0.000 0.321 576 A C -0.213 177.480 177.584 0.183 0.000 1.125 576 A CA -0.538 51.519 52.037 0.033 0.000 0.799 576 A CB 1.863 20.732 19.000 -0.218 0.000 1.293 576 A HN 0.674 nan 8.150 nan 0.000 0.452 577 S N -0.494 115.362 115.700 0.260 0.000 2.549 577 S HA 0.761 4.889 4.470 -0.569 0.000 0.280 577 S C -1.570 173.359 174.600 0.549 0.000 1.109 577 S CA -0.291 58.123 58.200 0.355 0.000 0.905 577 S CB 1.373 64.734 63.200 0.270 0.000 1.081 577 S HN 0.829 nan 8.310 nan 0.000 0.477 578 F N 1.801 121.968 119.950 0.360 0.000 2.574 578 F HA 0.484 4.669 4.527 -0.570 0.000 0.313 578 F C -1.658 174.318 175.800 0.294 0.000 1.130 578 F CA -0.708 57.531 58.000 0.398 0.000 0.936 578 F CB 1.479 40.714 39.000 0.390 0.000 1.219 578 F HN 0.389 nan 8.300 nan 0.000 0.445 579 D N 4.460 124.595 120.400 -0.441 0.000 2.427 579 D HA 0.436 4.735 4.640 -0.569 0.000 0.226 579 D C 0.247 176.076 176.300 -0.785 0.000 1.076 579 D CA 0.115 53.907 54.000 -0.346 0.000 0.849 579 D CB 1.699 42.501 40.800 0.003 0.000 1.052 579 D HN 0.791 nan 8.370 nan 0.000 0.515 580 G N 1.504 109.907 108.800 -0.662 0.000 3.019 580 G HA2 0.296 3.915 3.960 -0.569 0.000 0.152 580 G HA3 0.296 3.915 3.960 -0.569 0.000 0.152 580 G C 0.004 174.700 174.900 -0.341 0.000 1.320 580 G CA -0.667 43.959 45.100 -0.790 0.000 1.013 580 G HN 0.287 nan 8.290 nan 0.000 0.593 581 R N -0.291 120.056 120.500 -0.256 0.000 2.522 581 R HA 0.391 4.390 4.340 -0.569 0.000 0.284 581 R C 1.128 177.465 176.300 0.061 0.000 1.032 581 R CA 1.404 57.524 56.100 0.032 0.000 1.049 581 R CB 0.609 30.948 30.300 0.065 0.000 0.956 581 R HN 1.022 nan 8.270 nan 0.000 0.422 582 G N 1.320 110.166 108.800 0.077 0.000 2.284 582 G HA2 -0.328 3.290 3.960 -0.569 0.000 0.216 582 G HA3 -0.328 3.290 3.960 -0.569 0.000 0.216 582 G C 0.199 175.082 174.900 -0.029 0.000 1.009 582 G CA 0.066 45.185 45.100 0.033 0.000 0.625 582 G HN 0.719 nan 8.290 nan 0.000 0.501 583 S N 0.550 116.241 115.700 -0.015 0.000 2.587 583 S HA 0.595 4.723 4.470 -0.569 0.000 0.260 583 S C 0.873 175.456 174.600 -0.029 0.000 1.353 583 S CA 0.674 58.867 58.200 -0.011 0.000 0.995 583 S CB 1.536 64.762 63.200 0.043 0.000 0.912 583 S HN 1.765 nan 8.310 nan 0.000 0.568 584 G N -1.249 107.515 108.800 -0.060 0.000 2.820 584 G HA2 0.520 4.139 3.960 -0.569 0.000 0.291 584 G HA3 0.520 4.139 3.960 -0.569 0.000 0.291 584 G C -1.045 173.771 174.900 -0.140 0.000 1.323 584 G CA -1.042 43.894 45.100 -0.274 0.000 1.055 584 G HN 0.932 nan 8.290 nan 0.000 0.520 585 Y N -2.252 118.057 120.300 0.015 0.000 4.668 585 Y HA -0.208 4.000 4.550 -0.570 0.000 0.234 585 Y C 1.362 177.285 175.900 0.037 0.000 1.056 585 Y CA 1.055 59.174 58.100 0.031 0.000 2.025 585 Y CB -2.114 36.387 38.460 0.067 0.000 1.613 585 Y HN 0.532 nan 8.280 nan 0.000 0.653 586 Q N -0.135 119.694 119.800 0.049 0.000 2.086 586 Q HA 0.510 4.508 4.340 -0.569 0.000 0.220 586 Q C 0.810 176.672 176.000 -0.230 0.000 0.792 586 Q CA 0.216 56.049 55.803 0.050 0.000 1.062 586 Q CB 1.730 30.531 28.738 0.105 0.000 1.198 586 Q HN 0.574 nan 8.270 nan 0.000 0.466 587 G N 0.739 109.274 108.800 -0.442 0.000 2.650 587 G HA2 -0.169 3.449 3.960 -0.569 0.000 0.686 587 G HA3 -0.169 3.449 3.960 -0.569 0.000 0.686 587 G C -0.564 173.982 174.900 -0.591 0.000 1.205 587 G CA -0.686 43.911 45.100 -0.838 0.000 0.781 587 G HN 0.105 nan 8.290 nan 0.000 0.648 588 D N 0.044 120.055 120.400 -0.649 0.000 2.218 588 D HA -0.071 4.227 4.640 -0.569 0.000 0.204 588 D C 2.255 178.199 176.300 -0.594 0.000 0.976 588 D CA 1.370 54.883 54.000 -0.813 0.000 0.853 588 D CB 0.091 40.390 40.800 -0.836 0.000 0.939 588 D HN 0.603 nan 8.370 nan 0.000 0.481 589 K N 0.702 120.861 120.400 -0.402 0.000 2.001 589 K HA -0.168 3.810 4.320 -0.569 0.000 0.214 589 K C 1.996 178.514 176.600 -0.135 0.000 1.050 589 K CA 1.216 57.370 56.287 -0.221 0.000 0.934 589 K CB -0.291 32.097 32.500 -0.185 0.000 0.718 589 K HN 0.149 nan 8.250 nan 0.000 0.443 590 I N 0.623 121.118 120.570 -0.124 0.000 2.353 590 I HA -0.226 3.603 4.170 -0.569 0.000 0.248 590 I C 2.710 178.829 176.117 0.003 0.000 1.119 590 I CA 0.815 62.122 61.300 0.012 0.000 1.417 590 I CB -0.098 37.954 38.000 0.087 0.000 1.078 590 I HN 0.372 nan 8.210 nan 0.000 0.421 591 M N 0.178 119.706 119.600 -0.120 0.000 2.099 591 M HA -0.206 3.932 4.480 -0.569 0.000 0.262 591 M C 1.911 178.263 176.300 0.087 0.000 1.067 591 M CA 1.948 57.206 55.300 -0.070 0.000 1.124 591 M CB -0.283 32.184 32.600 -0.220 0.000 1.353 591 M HN 0.243 nan 8.290 nan 0.000 0.410 592 H N -0.474 118.491 119.070 -0.175 0.000 2.553 592 H HA 0.155 4.369 4.556 -0.569 0.000 0.269 592 H C 1.836 177.172 175.328 0.014 0.000 1.011 592 H CA 0.045 55.983 56.048 -0.184 0.000 1.150 592 H CB 0.094 29.639 29.762 -0.362 0.000 1.339 592 H HN 0.532 nan 8.280 nan 0.000 0.604 593 A N 1.631 124.556 122.820 0.174 0.000 1.940 593 A HA -0.147 3.832 4.320 -0.569 0.000 0.219 593 A C 2.095 179.872 177.584 0.322 0.000 1.176 593 A CA 1.212 53.385 52.037 0.227 0.000 0.631 593 A CB -0.610 18.507 19.000 0.195 0.000 0.814 593 A HN 0.588 nan 8.150 nan 0.000 0.446 594 I N -2.837 117.878 120.570 0.242 0.000 3.810 594 I HA 0.141 3.969 4.170 -0.569 0.000 0.322 594 I C 0.387 176.548 176.117 0.074 0.000 1.288 594 I CA -0.411 60.959 61.300 0.118 0.000 1.143 594 I CB -0.728 37.309 38.000 0.062 0.000 1.012 594 I HN 0.238 nan 8.210 nan 0.000 0.423 595 N N 2.930 121.732 118.700 0.170 0.000 2.412 595 N HA -0.072 4.327 4.740 -0.569 0.000 0.258 595 N C 0.192 175.688 175.510 -0.023 0.000 1.236 595 N CA 0.247 53.401 53.050 0.173 0.000 0.882 595 N CB 0.350 38.920 38.487 0.138 0.000 1.066 595 N HN 0.397 nan 8.380 nan 0.000 0.465 596 R N 0.355 120.811 120.500 -0.073 0.000 4.000 596 R HA -0.206 3.792 4.340 -0.569 0.000 0.348 596 R C -0.220 175.919 176.300 -0.269 0.000 1.204 596 R CA 1.560 57.548 56.100 -0.187 0.000 0.987 596 R CB -1.483 28.697 30.300 -0.200 0.000 1.446 596 R HN 0.779 nan 8.270 nan 0.000 0.555 597 R N -0.271 120.111 120.500 -0.196 0.000 2.583 597 R HA 0.260 4.258 4.340 -0.569 0.000 0.329 597 R C -0.436 175.813 176.300 -0.086 0.000 1.166 597 R CA -0.674 55.353 56.100 -0.121 0.000 1.264 597 R CB 0.164 30.337 30.300 -0.212 0.000 1.324 597 R HN -0.036 nan 8.270 nan 0.000 0.684 598 L N 0.855 122.013 121.223 -0.109 0.000 2.483 598 L HA 0.227 4.225 4.340 -0.569 0.000 0.276 598 L C 1.284 178.294 176.870 0.232 0.000 1.213 598 L CA 1.521 56.362 54.840 0.002 0.000 0.843 598 L CB 0.511 42.425 42.059 -0.242 0.000 1.107 598 L HN 0.820 nan 8.230 nan 0.000 0.487 599 G N 0.603 109.615 108.800 0.353 0.000 2.175 599 G HA2 -0.317 3.301 3.960 -0.569 0.000 0.244 599 G HA3 -0.317 3.301 3.960 -0.569 0.000 0.244 599 G C 0.607 175.553 174.900 0.076 0.000 0.982 599 G CA 0.649 45.909 45.100 0.267 0.000 0.641 599 G HN 0.790 nan 8.290 nan 0.000 0.527 600 T N -2.509 112.054 114.554 0.015 0.000 3.608 600 T HA 0.430 4.439 4.350 -0.569 0.000 0.213 600 T C 1.817 176.545 174.700 0.047 0.000 0.897 600 T CA 1.243 63.299 62.100 -0.074 0.000 1.533 600 T CB -0.257 68.412 68.868 -0.331 0.000 1.504 600 T HN 0.138 nan 8.240 nan 0.000 0.446 601 F N 3.452 123.441 119.950 0.065 0.000 2.134 601 F HA 0.089 4.275 4.527 -0.568 0.000 0.299 601 F C 2.806 178.637 175.800 0.050 0.000 1.097 601 F CA 1.006 59.029 58.000 0.038 0.000 1.264 601 F CB -0.895 38.107 39.000 0.003 0.000 1.001 601 F HN 0.489 nan 8.300 nan 0.000 0.479 602 E N 0.754 121.097 120.200 0.238 0.000 2.204 602 E HA -0.112 3.896 4.350 -0.569 0.000 0.194 602 E C 2.088 178.789 176.600 0.168 0.000 0.989 602 E CA 1.310 57.815 56.400 0.174 0.000 0.824 602 E CB -0.998 28.788 29.700 0.143 0.000 0.756 602 E HN 0.296 nan 8.360 nan 0.000 0.477 603 V N 1.676 121.675 119.914 0.141 0.000 2.346 603 V HA -0.184 3.595 4.120 -0.569 0.000 0.244 603 V C 2.322 178.476 176.094 0.100 0.000 1.037 603 V CA 1.990 64.339 62.300 0.081 0.000 1.029 603 V CB -0.507 31.318 31.823 0.003 0.000 0.663 603 V HN 0.208 nan 8.190 nan 0.000 0.454 604 E N 0.118 120.398 120.200 0.132 0.000 2.077 604 E HA -0.243 3.766 4.350 -0.569 0.000 0.193 604 E C 1.897 178.576 176.600 0.132 0.000 0.989 604 E CA 1.504 57.987 56.400 0.139 0.000 0.800 604 E CB -0.190 29.627 29.700 0.195 0.000 0.746 604 E HN 0.558 nan 8.360 nan 0.000 0.452 605 D N 0.365 120.864 120.400 0.165 0.000 2.219 605 D HA -0.127 4.172 4.640 -0.569 0.000 0.205 605 D C 1.963 178.321 176.300 0.096 0.000 0.970 605 D CA 0.731 54.822 54.000 0.151 0.000 0.851 605 D CB -0.067 40.864 40.800 0.218 0.000 0.943 605 D HN 0.106 nan 8.370 nan 0.000 0.488 606 Q N 0.074 119.975 119.800 0.169 0.000 2.119 606 Q HA -0.024 3.975 4.340 -0.569 0.000 0.201 606 Q C 2.527 178.602 176.000 0.126 0.000 0.972 606 Q CA 0.496 56.409 55.803 0.183 0.000 0.847 606 Q CB -0.011 28.849 28.738 0.204 0.000 0.903 606 Q HN 0.430 nan 8.270 nan 0.000 0.433 607 I N 0.621 121.270 120.570 0.132 0.000 2.202 607 I HA -0.244 3.584 4.170 -0.569 0.000 0.242 607 I C 2.393 178.493 176.117 -0.029 0.000 1.091 607 I CA 1.167 62.564 61.300 0.162 0.000 1.368 607 I CB -0.215 37.876 38.000 0.153 0.000 1.058 607 I HN 0.132 nan 8.210 nan 0.000 0.410 608 E N 1.624 121.765 120.200 -0.097 0.000 2.106 608 E HA -0.174 3.834 4.350 -0.569 0.000 0.192 608 E C 2.051 178.405 176.600 -0.410 0.000 0.984 608 E CA 1.655 57.934 56.400 -0.203 0.000 0.806 608 E CB -0.163 29.440 29.700 -0.162 0.000 0.750 608 E HN 0.404 nan 8.360 nan 0.000 0.458 609 A N -0.491 121.963 122.820 -0.611 0.000 1.930 609 A HA -0.126 3.852 4.320 -0.569 0.000 0.217 609 A C 2.436 179.352 177.584 -1.113 0.000 1.175 609 A CA 1.949 53.308 52.037 -1.131 0.000 0.627 609 A CB -0.945 16.927 19.000 -1.879 0.000 0.815 609 A HN 0.348 nan 8.150 nan 0.000 0.443 610 T N -0.893 113.374 114.554 -0.479 0.000 2.821 610 T HA -0.109 3.899 4.350 -0.569 0.000 0.267 610 T C 2.040 176.596 174.700 -0.240 0.000 1.046 610 T CA 1.430 63.447 62.100 -0.139 0.000 1.139 610 T CB -0.192 68.705 68.868 0.047 0.000 0.871 610 T HN 0.542 nan 8.240 nan 0.000 0.454 611 R N 0.820 121.146 120.500 -0.290 0.000 2.096 611 R HA -0.066 3.932 4.340 -0.569 0.000 0.235 611 R C 2.470 178.614 176.300 -0.260 0.000 1.127 611 R CA 1.353 57.307 56.100 -0.244 0.000 0.968 611 R CB -0.062 30.115 30.300 -0.204 0.000 0.861 611 R HN 0.470 nan 8.270 nan 0.000 0.440 612 Q N -0.953 118.616 119.800 -0.386 0.000 2.172 612 Q HA -0.113 3.886 4.340 -0.569 0.000 0.200 612 Q C 1.762 177.595 176.000 -0.277 0.000 0.964 612 Q CA 1.041 56.629 55.803 -0.359 0.000 0.855 612 Q CB 0.047 28.508 28.738 -0.461 0.000 0.918 612 Q HN 0.292 nan 8.270 nan 0.000 0.444 613 F N 0.851 120.642 119.950 -0.266 0.000 2.146 613 F HA -0.164 4.021 4.527 -0.570 0.000 0.298 613 F C 2.719 178.366 175.800 -0.255 0.000 1.096 613 F CA 1.345 59.187 58.000 -0.264 0.000 1.275 613 F CB -1.039 37.827 39.000 -0.222 0.000 1.008 613 F HN 0.061 nan 8.300 nan 0.000 0.480 614 S N -0.383 115.297 115.700 -0.034 0.000 2.474 614 S HA -0.142 3.986 4.470 -0.569 0.000 0.235 614 S C 1.718 176.235 174.600 -0.138 0.000 0.997 614 S CA 0.791 58.932 58.200 -0.098 0.000 0.949 614 S CB -0.535 62.594 63.200 -0.117 0.000 0.766 614 S HN 0.408 nan 8.310 nan 0.000 0.517 615 K N 0.269 120.582 120.400 -0.146 0.000 2.365 615 K HA 0.248 4.226 4.320 -0.569 0.000 0.197 615 K C 0.211 176.708 176.600 -0.172 0.000 1.042 615 K CA 0.224 56.427 56.287 -0.140 0.000 0.987 615 K CB -0.122 32.304 32.500 -0.123 0.000 0.779 615 K HN 0.469 nan 8.250 nan 0.000 0.484 616 M N 0.908 120.355 119.600 -0.255 0.000 2.251 616 M HA 0.029 4.167 4.480 -0.569 0.000 0.346 616 M C 1.355 177.362 176.300 -0.488 0.000 1.499 616 M CA -0.045 55.019 55.300 -0.392 0.000 1.128 616 M CB 0.978 33.208 32.600 -0.617 0.000 1.809 616 M HN 0.209 nan 8.290 nan 0.000 0.464 617 G N 3.491 112.137 108.800 -0.257 0.000 2.697 617 G HA2 -0.262 3.356 3.960 -0.569 0.000 0.223 617 G HA3 -0.262 3.356 3.960 -0.569 0.000 0.223 617 G C 0.767 175.635 174.900 -0.054 0.000 1.083 617 G CA 0.952 45.975 45.100 -0.129 0.000 0.722 617 G HN 0.850 nan 8.290 nan 0.000 0.604 618 F N -0.417 119.596 119.950 0.106 0.000 2.692 618 F HA 0.624 4.809 4.527 -0.570 0.000 0.303 618 F C -0.079 175.852 175.800 0.218 0.000 1.114 618 F CA -1.584 56.521 58.000 0.176 0.000 1.361 618 F CB -0.283 38.883 39.000 0.276 0.000 1.063 618 F HN -0.129 nan 8.300 nan 0.000 0.550 619 V N 1.551 121.505 119.914 0.067 0.000 2.448 619 V HA 0.190 3.969 4.120 -0.569 0.000 0.295 619 V C -0.635 175.466 176.094 0.012 0.000 1.025 619 V CA -0.892 61.461 62.300 0.089 0.000 0.859 619 V CB 1.593 33.401 31.823 -0.024 0.000 0.988 619 V HN 0.078 nan 8.190 nan 0.000 0.431 620 D N 4.190 124.596 120.400 0.009 0.000 2.402 620 D HA 0.016 4.315 4.640 -0.569 0.000 0.235 620 D C 1.218 177.484 176.300 -0.056 0.000 1.226 620 D CA -0.195 53.780 54.000 -0.042 0.000 0.918 620 D CB 0.870 41.624 40.800 -0.076 0.000 1.043 620 D HN 0.758 nan 8.370 nan 0.000 0.506 621 D N 2.930 123.296 120.400 -0.056 0.000 2.351 621 D HA -0.199 4.099 4.640 -0.569 0.000 0.216 621 D C 0.719 176.990 176.300 -0.048 0.000 0.968 621 D CA 0.626 54.587 54.000 -0.066 0.000 0.899 621 D CB 0.170 40.925 40.800 -0.076 0.000 0.907 621 D HN 0.386 nan 8.370 nan 0.000 0.514 622 K N -0.155 120.224 120.400 -0.034 0.000 2.459 622 K HA 0.108 4.086 4.320 -0.569 0.000 0.193 622 K C 0.625 177.241 176.600 0.027 0.000 1.030 622 K CA 0.131 56.414 56.287 -0.007 0.000 1.026 622 K CB 0.473 32.967 32.500 -0.010 0.000 0.809 622 K HN 0.034 nan 8.250 nan 0.000 0.504 623 R N 1.199 121.697 120.500 -0.002 0.000 2.653 623 R HA 0.343 4.341 4.340 -0.569 0.000 0.269 623 R C -0.998 175.333 176.300 0.053 0.000 1.603 623 R CA -0.131 55.989 56.100 0.033 0.000 1.671 623 R CB 0.650 30.825 30.300 -0.208 0.000 1.300 623 R HN -0.010 nan 8.270 nan 0.000 0.668 624 I N 1.017 121.721 120.570 0.224 0.000 2.433 624 I HA 0.623 4.451 4.170 -0.569 0.000 0.292 624 I C 0.034 176.454 176.117 0.505 0.000 1.001 624 I CA -0.782 60.681 61.300 0.273 0.000 1.119 624 I CB 1.933 39.939 38.000 0.010 0.000 1.289 624 I HN 0.311 nan 8.210 nan 0.000 0.438 625 A N 6.916 130.114 122.820 0.630 0.000 2.437 625 A HA 0.951 4.929 4.320 -0.569 0.000 0.292 625 A C -1.183 176.745 177.584 0.573 0.000 1.173 625 A CA -0.670 51.705 52.037 0.563 0.000 0.785 625 A CB 2.318 21.526 19.000 0.346 0.000 1.351 625 A HN 0.730 nan 8.150 nan 0.000 0.431 626 I N 0.031 120.859 120.570 0.430 0.000 2.787 626 I HA 0.631 4.460 4.170 -0.569 0.000 0.294 626 I C -2.083 174.293 176.117 0.431 0.000 1.365 626 I CA -0.538 60.974 61.300 0.353 0.000 1.029 626 I CB 1.677 39.672 38.000 -0.008 0.000 1.313 626 I HN 0.973 nan 8.210 nan 0.000 0.431 627 W N 6.692 128.127 121.300 0.226 0.000 3.118 627 W HA 0.887 5.203 4.660 -0.574 0.000 0.328 627 W C -1.370 175.298 176.519 0.249 0.000 1.239 627 W CA -1.140 56.343 57.345 0.230 0.000 1.176 627 W CB 1.046 30.684 29.460 0.295 0.000 1.433 627 W HN 0.813 nan 8.180 nan 0.000 0.562 628 G N 0.393 109.123 108.800 -0.117 0.000 2.646 628 G HA2 0.501 4.120 3.960 -0.569 0.000 0.291 628 G HA3 0.501 4.120 3.960 -0.569 0.000 0.291 628 G C -2.783 172.070 174.900 -0.078 0.000 1.445 628 G CA -0.724 44.184 45.100 -0.321 0.000 0.814 628 G HN 0.595 nan 8.290 nan 0.000 0.495 629 W N 1.055 122.225 121.300 -0.217 0.000 2.702 629 W HA 0.557 4.879 4.660 -0.564 0.000 0.331 629 W C 0.751 177.288 176.519 0.030 0.000 1.049 629 W CA 0.322 57.618 57.345 -0.081 0.000 1.230 629 W CB 1.621 31.009 29.460 -0.120 0.000 1.408 629 W HN 1.007 nan 8.180 nan 0.000 0.492 630 S N 2.041 117.964 115.700 0.372 0.000 4.140 630 S HA -0.429 3.700 4.470 -0.569 0.000 0.618 630 S C 0.856 175.616 174.600 0.267 0.000 1.896 630 S CA 1.757 60.176 58.200 0.365 0.000 4.240 630 S CB -1.543 61.955 63.200 0.497 0.000 0.208 630 S HN 0.745 nan 8.310 nan 0.000 0.487 631 Y N 3.054 123.534 120.300 0.300 0.000 2.274 631 Y HA 0.046 4.256 4.550 -0.567 0.000 0.290 631 Y C 2.370 178.456 175.900 0.309 0.000 1.145 631 Y CA 2.069 60.344 58.100 0.291 0.000 1.203 631 Y CB -0.943 37.686 38.460 0.282 0.000 0.984 631 Y HN 0.515 nan 8.280 nan 0.000 0.533 632 G N -1.089 108.035 108.800 0.540 0.000 2.443 632 G HA2 -0.176 3.442 3.960 -0.569 0.000 0.219 632 G HA3 -0.176 3.442 3.960 -0.569 0.000 0.219 632 G C 1.863 176.869 174.900 0.176 0.000 1.131 632 G CA 0.682 45.988 45.100 0.343 0.000 0.775 632 G HN 0.564 nan 8.290 nan 0.000 0.547 633 G N -0.278 108.618 108.800 0.161 0.000 2.408 633 G HA2 -0.147 3.472 3.960 -0.569 0.000 0.215 633 G HA3 -0.147 3.472 3.960 -0.569 0.000 0.215 633 G C 1.534 176.494 174.900 0.100 0.000 1.156 633 G CA 0.934 46.096 45.100 0.104 0.000 0.793 633 G HN 0.386 nan 8.290 nan 0.000 0.535 634 Y N 1.545 121.782 120.300 -0.105 0.000 2.089 634 Y HA -0.124 4.083 4.550 -0.572 0.000 0.282 634 Y C 2.773 178.605 175.900 -0.113 0.000 1.139 634 Y CA 1.625 59.600 58.100 -0.209 0.000 1.123 634 Y CB -0.581 37.587 38.460 -0.487 0.000 0.980 634 Y HN 0.012 nan 8.280 nan 0.000 0.493 635 V N -0.082 119.753 119.914 -0.132 0.000 2.332 635 V HA -0.368 3.411 4.120 -0.569 0.000 0.248 635 V C 2.347 178.364 176.094 -0.128 0.000 1.055 635 V CA 2.491 64.708 62.300 -0.138 0.000 1.038 635 V CB -1.282 30.618 31.823 0.128 0.000 0.651 635 V HN 0.519 nan 8.190 nan 0.000 0.450 636 T N -0.233 114.298 114.554 -0.039 0.000 2.684 636 T HA -0.202 3.807 4.350 -0.569 0.000 0.267 636 T C 2.142 176.799 174.700 -0.072 0.000 1.036 636 T CA 2.031 64.110 62.100 -0.034 0.000 1.148 636 T CB -0.270 68.652 68.868 0.090 0.000 0.863 636 T HN 0.535 nan 8.240 nan 0.000 0.436 637 S N 0.975 116.662 115.700 -0.022 0.000 2.368 637 S HA -0.027 4.102 4.470 -0.569 0.000 0.224 637 S C 2.138 176.664 174.600 -0.125 0.000 1.029 637 S CA 0.915 59.115 58.200 -0.000 0.000 0.988 637 S CB -0.276 62.973 63.200 0.082 0.000 0.838 637 S HN 0.295 nan 8.310 nan 0.000 0.462 638 M N 1.053 120.499 119.600 -0.255 0.000 2.117 638 M HA -0.042 4.097 4.480 -0.569 0.000 0.262 638 M C 2.204 178.363 176.300 -0.235 0.000 1.065 638 M CA 1.069 56.203 55.300 -0.277 0.000 1.114 638 M CB -1.597 30.750 32.600 -0.422 0.000 1.361 638 M HN 0.162 nan 8.290 nan 0.000 0.408 639 V N 0.743 120.509 119.914 -0.248 0.000 2.223 639 V HA -0.273 3.505 4.120 -0.569 0.000 0.244 639 V C 2.595 178.501 176.094 -0.313 0.000 1.045 639 V CA 1.593 63.737 62.300 -0.259 0.000 1.000 639 V CB -0.772 30.812 31.823 -0.398 0.000 0.635 639 V HN 0.407 nan 8.190 nan 0.000 0.445 640 L N 0.466 121.437 121.223 -0.420 0.000 2.089 640 L HA -0.180 3.818 4.340 -0.569 0.000 0.213 640 L C 2.266 178.665 176.870 -0.785 0.000 1.079 640 L CA 1.797 56.309 54.840 -0.547 0.000 0.758 640 L CB -0.968 40.698 42.059 -0.654 0.000 0.891 640 L HN 0.539 nan 8.230 nan 0.000 0.433 641 G N -1.449 106.873 108.800 -0.797 0.000 3.088 641 G HA2 0.195 3.813 3.960 -0.569 0.000 0.212 641 G HA3 0.195 3.813 3.960 -0.569 0.000 0.212 641 G C 1.457 176.211 174.900 -0.245 0.000 1.173 641 G CA 0.495 45.229 45.100 -0.609 0.000 0.779 641 G HN 0.414 nan 8.290 nan 0.000 0.540 642 A N -0.059 122.643 122.820 -0.197 0.000 2.123 642 A HA 0.447 4.425 4.320 -0.569 0.000 0.214 642 A C 2.079 179.628 177.584 -0.059 0.000 1.152 642 A CA 1.206 53.188 52.037 -0.091 0.000 0.728 642 A CB -0.370 18.599 19.000 -0.051 0.000 0.814 642 A HN 1.424 nan 8.150 nan 0.000 0.464 643 G N 0.098 108.850 108.800 -0.080 0.000 2.221 643 G HA2 -0.296 3.323 3.960 -0.569 0.000 0.265 643 G HA3 -0.296 3.323 3.960 -0.569 0.000 0.265 643 G C 0.966 175.861 174.900 -0.008 0.000 1.041 643 G CA 1.241 46.315 45.100 -0.043 0.000 0.807 643 G HN 1.440 nan 8.290 nan 0.000 0.502 644 S N -1.004 114.707 115.700 0.018 0.000 2.489 644 S HA 0.327 4.456 4.470 -0.569 0.000 0.228 644 S C 2.465 177.074 174.600 0.015 0.000 0.995 644 S CA 1.403 59.622 58.200 0.032 0.000 0.934 644 S CB -0.087 63.161 63.200 0.081 0.000 0.771 644 S HN 2.368 nan 8.310 nan 0.000 0.522 645 G N 0.301 109.115 108.800 0.024 0.000 2.189 645 G HA2 -0.316 3.302 3.960 -0.569 0.000 0.267 645 G HA3 -0.316 3.302 3.960 -0.569 0.000 0.267 645 G C 0.790 175.679 174.900 -0.019 0.000 0.975 645 G CA 0.505 45.610 45.100 0.007 0.000 0.644 645 G HN 0.690 nan 8.290 nan 0.000 0.537 646 V N -0.578 119.308 119.914 -0.047 0.000 2.488 646 V HA 0.255 4.034 4.120 -0.569 0.000 0.246 646 V C 1.230 177.100 176.094 -0.374 0.000 1.046 646 V CA 1.519 63.664 62.300 -0.258 0.000 1.053 646 V CB -0.376 31.173 31.823 -0.456 0.000 0.679 646 V HN 0.299 nan 8.190 nan 0.000 0.458 647 F N -0.145 119.824 119.950 0.032 0.000 2.421 647 F HA 0.428 4.614 4.527 -0.567 0.000 0.337 647 F C 1.075 176.919 175.800 0.073 0.000 1.105 647 F CA -0.661 57.382 58.000 0.072 0.000 1.049 647 F CB 1.451 40.498 39.000 0.078 0.000 1.139 647 F HN -0.264 nan 8.300 nan 0.000 0.479 648 K N 1.343 121.907 120.400 0.274 0.000 2.128 648 K HA 0.127 4.106 4.320 -0.569 0.000 0.202 648 K C -0.101 176.624 176.600 0.208 0.000 1.050 648 K CA 0.887 57.294 56.287 0.200 0.000 0.966 648 K CB 0.278 32.893 32.500 0.190 0.000 0.759 648 K HN 0.806 nan 8.250 nan 0.000 0.454 649 c N -2.460 116.297 118.600 0.261 0.000 3.318 649 c HA 0.913 5.141 4.570 -0.569 0.000 0.322 649 c C -0.200 174.103 174.090 0.355 0.000 1.398 649 c CA -0.653 55.849 56.329 0.287 0.000 1.339 649 c CB 1.106 43.716 42.510 0.167 0.000 1.668 649 c HN 0.361 nan 8.230 nan 0.000 0.462 650 G N 0.023 109.093 108.800 0.451 0.000 2.673 650 G HA2 0.715 4.334 3.960 -0.569 0.000 0.292 650 G HA3 0.715 4.334 3.960 -0.569 0.000 0.292 650 G C -1.983 173.150 174.900 0.388 0.000 1.450 650 G CA -0.677 44.664 45.100 0.402 0.000 0.837 650 G HN 0.976 nan 8.290 nan 0.000 0.505 651 I N 0.721 121.487 120.570 0.326 0.000 2.466 651 I HA 0.631 4.459 4.170 -0.569 0.000 0.289 651 I C 0.131 176.377 176.117 0.216 0.000 1.026 651 I CA -0.960 60.420 61.300 0.133 0.000 1.078 651 I CB 2.298 40.358 38.000 0.100 0.000 1.249 651 I HN 0.661 nan 8.210 nan 0.000 0.429 652 A N 6.351 129.202 122.820 0.051 0.000 2.318 652 A HA 0.803 4.781 4.320 -0.569 0.000 0.317 652 A C -0.846 176.684 177.584 -0.090 0.000 1.159 652 A CA -0.523 51.557 52.037 0.072 0.000 0.799 652 A CB 1.250 20.362 19.000 0.186 0.000 1.194 652 A HN 0.432 nan 8.150 nan 0.000 0.479 653 V N 2.049 121.865 119.914 -0.162 0.000 2.384 653 V HA 0.576 4.355 4.120 -0.569 0.000 0.287 653 V C 0.922 176.717 176.094 -0.498 0.000 1.020 653 V CA 0.266 62.286 62.300 -0.466 0.000 0.850 653 V CB 0.831 32.091 31.823 -0.939 0.000 0.987 653 V HN 2.117 nan 8.190 nan 0.000 0.436 654 A N 5.640 128.137 122.820 -0.538 0.000 2.415 654 A HA -0.107 3.871 4.320 -0.569 0.000 0.292 654 A C -1.762 175.712 177.584 -0.184 0.000 1.452 654 A CA 0.531 52.164 52.037 -0.673 0.000 0.750 654 A CB -1.503 17.216 19.000 -0.469 0.000 1.099 654 A HN 0.618 nan 8.150 nan 0.000 0.391 655 P HA 0.485 nan 4.420 nan 0.000 0.279 655 P C 0.056 177.333 177.300 -0.038 0.000 1.252 655 P CA -0.375 62.724 63.100 -0.001 0.000 0.811 655 P CB 1.442 33.170 31.700 0.046 0.000 1.035 656 V N 1.693 121.488 119.914 -0.198 0.000 2.607 656 V HA 0.144 3.922 4.120 -0.569 0.000 0.289 656 V C 1.622 177.541 176.094 -0.292 0.000 1.053 656 V CA 0.771 62.810 62.300 -0.436 0.000 0.996 656 V CB 0.967 32.129 31.823 -1.103 0.000 0.995 656 V HN 0.852 nan 8.190 nan 0.000 0.476 657 S N 2.645 118.207 115.700 -0.229 0.000 2.619 657 S HA 0.298 4.426 4.470 -0.569 0.000 0.238 657 S C 0.322 174.809 174.600 -0.187 0.000 1.068 657 S CA -0.252 57.892 58.200 -0.094 0.000 0.926 657 S CB 0.292 63.487 63.200 -0.007 0.000 0.864 657 S HN 0.621 nan 8.310 nan 0.000 0.493 658 K N -0.283 119.920 120.400 -0.329 0.000 2.581 658 K HA 0.321 4.299 4.320 -0.569 0.000 0.249 658 K C -1.004 175.343 176.600 -0.423 0.000 0.966 658 K CA -0.697 55.335 56.287 -0.426 0.000 0.811 658 K CB 0.792 32.883 32.500 -0.683 0.000 1.223 658 K HN 0.188 nan 8.250 nan 0.000 0.438 659 W N 2.229 123.479 121.300 -0.083 0.000 2.387 659 W HA -0.110 4.213 4.660 -0.561 0.000 0.272 659 W C 1.133 177.780 176.519 0.213 0.000 1.224 659 W CA 0.673 58.045 57.345 0.045 0.000 1.210 659 W CB 0.307 29.749 29.460 -0.030 0.000 1.125 659 W HN 0.726 nan 8.180 nan 0.000 0.572 660 E N -1.126 119.238 120.200 0.272 0.000 2.418 660 E HA -0.171 3.838 4.350 -0.569 0.000 0.197 660 E C 1.158 177.890 176.600 0.221 0.000 1.026 660 E CA 0.667 57.175 56.400 0.180 0.000 0.862 660 E CB -0.185 29.501 29.700 -0.023 0.000 0.799 660 E HN 0.387 nan 8.360 nan 0.000 0.518 661 Y N -1.401 118.997 120.300 0.165 0.000 2.510 661 Y HA 0.061 4.281 4.550 -0.551 0.000 0.273 661 Y C 0.773 176.760 175.900 0.145 0.000 1.119 661 Y CA -0.358 57.799 58.100 0.095 0.000 1.286 661 Y CB -0.355 38.106 38.460 0.002 0.000 1.061 661 Y HN 0.015 nan 8.280 nan 0.000 0.542 662 Y N 2.090 122.545 120.300 0.258 0.000 2.334 662 Y HA 0.253 4.458 4.550 -0.575 0.000 0.325 662 Y C 0.433 176.551 175.900 0.364 0.000 1.308 662 Y CA -1.906 56.355 58.100 0.268 0.000 1.389 662 Y CB 0.266 38.938 38.460 0.353 0.000 1.328 662 Y HN 0.206 nan 8.280 nan 0.000 0.532 663 D N -0.610 119.561 120.400 -0.382 0.000 2.382 663 D HA 0.080 4.379 4.640 -0.569 0.000 0.240 663 D C 0.987 177.290 176.300 0.005 0.000 1.146 663 D CA 0.386 54.227 54.000 -0.266 0.000 0.897 663 D CB 0.826 41.240 40.800 -0.643 0.000 1.197 663 D HN 0.475 nan 8.370 nan 0.000 0.432 664 S N 1.098 116.806 115.700 0.013 0.000 2.359 664 S HA -0.227 3.901 4.470 -0.569 0.000 0.224 664 S C 1.893 176.536 174.600 0.072 0.000 1.035 664 S CA 1.215 59.466 58.200 0.086 0.000 1.018 664 S CB -0.992 62.263 63.200 0.090 0.000 0.876 664 S HN 0.431 nan 8.310 nan 0.000 0.448 665 V N 0.816 120.721 119.914 -0.016 0.000 2.255 665 V HA -0.171 3.607 4.120 -0.569 0.000 0.247 665 V C 2.322 178.373 176.094 -0.072 0.000 1.051 665 V CA 2.254 64.480 62.300 -0.124 0.000 1.018 665 V CB -1.103 30.491 31.823 -0.383 0.000 0.641 665 V HN 0.620 nan 8.190 nan 0.000 0.445 666 Y N 1.265 121.535 120.300 -0.050 0.000 2.153 666 Y HA -0.210 4.000 4.550 -0.567 0.000 0.289 666 Y C 2.709 178.642 175.900 0.056 0.000 1.127 666 Y CA 2.259 60.404 58.100 0.074 0.000 1.131 666 Y CB -0.563 38.123 38.460 0.377 0.000 0.995 666 Y HN 0.228 nan 8.280 nan 0.000 0.505 667 T N 0.340 115.106 114.554 0.353 0.000 2.674 667 T HA -0.213 3.795 4.350 -0.569 0.000 0.265 667 T C 1.603 176.262 174.700 -0.067 0.000 1.039 667 T CA 1.959 64.176 62.100 0.194 0.000 1.150 667 T CB -0.362 68.772 68.868 0.444 0.000 0.864 667 T HN 0.418 nan 8.240 nan 0.000 0.427 668 E N 0.522 120.722 120.200 0.001 0.000 2.153 668 E HA -0.139 3.869 4.350 -0.569 0.000 0.194 668 E C 2.349 178.820 176.600 -0.215 0.000 0.988 668 E CA 0.645 57.028 56.400 -0.029 0.000 0.811 668 E CB -0.141 29.588 29.700 0.048 0.000 0.746 668 E HN 0.323 nan 8.360 nan 0.000 0.466 669 R N -0.070 120.165 120.500 -0.441 0.000 2.117 669 R HA -0.206 3.792 4.340 -0.569 0.000 0.243 669 R C 1.205 176.946 176.300 -0.931 0.000 1.143 669 R CA 1.655 57.306 56.100 -0.748 0.000 0.968 669 R CB -0.016 29.564 30.300 -1.201 0.000 0.863 669 R HN 0.249 nan 8.270 nan 0.000 0.444 670 Y N -2.445 117.527 120.300 -0.547 0.000 2.498 670 Y HA 0.239 4.446 4.550 -0.571 0.000 0.259 670 Y C 1.643 177.319 175.900 -0.373 0.000 1.086 670 Y CA -0.051 57.711 58.100 -0.563 0.000 1.287 670 Y CB 0.457 38.437 38.460 -0.800 0.000 1.146 670 Y HN -0.041 nan 8.280 nan 0.000 0.523 671 M N -0.341 119.107 119.600 -0.253 0.000 2.337 671 M HA 0.373 4.511 4.480 -0.569 0.000 0.256 671 M C 1.024 177.296 176.300 -0.047 0.000 1.075 671 M CA 0.763 55.904 55.300 -0.265 0.000 1.024 671 M CB -0.307 31.930 32.600 -0.605 0.000 1.429 671 M HN 0.330 nan 8.290 nan 0.000 0.497 672 G N 1.870 110.669 108.800 -0.000 0.000 2.698 672 G HA2 -0.242 3.376 3.960 -0.569 0.000 0.233 672 G HA3 -0.242 3.376 3.960 -0.569 0.000 0.233 672 G C -0.502 174.519 174.900 0.202 0.000 1.352 672 G CA -0.760 44.385 45.100 0.075 0.000 0.879 672 G HN 0.355 nan 8.290 nan 0.000 0.567 673 L N 1.832 123.144 121.223 0.147 0.000 2.350 673 L HA 0.412 4.410 4.340 -0.569 0.000 0.275 673 L C -1.298 175.585 176.870 0.022 0.000 1.099 673 L CA -1.691 53.203 54.840 0.089 0.000 0.808 673 L CB 1.714 43.788 42.059 0.025 0.000 1.149 673 L HN 0.461 nan 8.230 nan 0.000 0.442 674 P HA 0.055 nan 4.420 nan 0.000 0.220 674 P C -0.432 176.713 177.300 -0.259 0.000 1.778 674 P CA -0.123 62.567 63.100 -0.682 0.000 0.912 674 P CB -0.441 30.487 31.700 -1.287 0.000 1.861 675 T N -3.148 111.347 114.554 -0.098 0.000 2.912 675 T HA 0.426 4.435 4.350 -0.569 0.000 0.288 675 T C -1.845 172.854 174.700 -0.002 0.000 1.030 675 T CA -2.481 59.592 62.100 -0.045 0.000 1.020 675 T CB 1.881 70.733 68.868 -0.027 0.000 1.056 675 T HN -0.199 nan 8.240 nan 0.000 0.480 676 P HA -0.085 nan 4.420 nan 0.000 0.223 676 P C 0.660 177.978 177.300 0.029 0.000 1.144 676 P CA 1.052 64.166 63.100 0.022 0.000 0.783 676 P CB 0.206 31.914 31.700 0.014 0.000 0.771 677 E N -0.799 119.413 120.200 0.020 0.000 2.216 677 E HA -0.061 3.947 4.350 -0.569 0.000 0.192 677 E C 1.580 178.197 176.600 0.029 0.000 0.988 677 E CA 0.738 57.150 56.400 0.020 0.000 0.834 677 E CB -0.324 29.382 29.700 0.010 0.000 0.772 677 E HN 0.288 nan 8.360 nan 0.000 0.479 678 D N -0.506 119.917 120.400 0.039 0.000 2.910 678 D HA 0.101 4.399 4.640 -0.569 0.000 0.241 678 D C 0.316 176.670 176.300 0.090 0.000 1.346 678 D CA 0.041 54.074 54.000 0.054 0.000 1.227 678 D CB -0.025 40.808 40.800 0.055 0.000 0.926 678 D HN -0.030 nan 8.370 nan 0.000 0.212 679 N N 0.279 119.070 118.700 0.152 0.000 2.282 679 N HA 0.026 4.425 4.740 -0.569 0.000 0.240 679 N C 1.419 177.152 175.510 0.371 0.000 1.182 679 N CA -0.167 53.025 53.050 0.236 0.000 0.874 679 N CB 0.668 39.283 38.487 0.214 0.000 1.126 679 N HN 0.014 nan 8.380 nan 0.000 0.516 680 L N 1.335 122.694 121.223 0.228 0.000 2.051 680 L HA -0.229 3.769 4.340 -0.569 0.000 0.214 680 L C 1.437 178.446 176.870 0.231 0.000 1.076 680 L CA 1.989 56.937 54.840 0.179 0.000 0.758 680 L CB -0.503 41.588 42.059 0.053 0.000 0.890 680 L HN 0.187 nan 8.230 nan 0.000 0.433 681 D N -1.331 119.191 120.400 0.203 0.000 2.133 681 D HA -0.245 4.054 4.640 -0.569 0.000 0.195 681 D C 2.017 178.374 176.300 0.096 0.000 0.997 681 D CA 1.746 55.827 54.000 0.135 0.000 0.840 681 D CB -0.290 40.587 40.800 0.128 0.000 0.947 681 D HN 0.470 nan 8.370 nan 0.000 0.452 682 Y N -0.919 119.440 120.300 0.099 0.000 2.544 682 Y HA -0.037 4.171 4.550 -0.570 0.000 0.286 682 Y C 1.857 177.801 175.900 0.074 0.000 1.141 682 Y CA 0.205 58.335 58.100 0.050 0.000 1.299 682 Y CB -0.243 38.207 38.460 -0.018 0.000 1.030 682 Y HN 0.044 nan 8.280 nan 0.000 0.543 683 Y N -0.491 119.910 120.300 0.168 0.000 2.206 683 Y HA -0.117 4.090 4.550 -0.571 0.000 0.292 683 Y C 2.405 178.365 175.900 0.100 0.000 1.123 683 Y CA 1.272 59.463 58.100 0.152 0.000 1.142 683 Y CB -0.087 38.440 38.460 0.113 0.000 1.006 683 Y HN -0.128 nan 8.280 nan 0.000 0.518 684 R N 0.344 120.977 120.500 0.222 0.000 2.075 684 R HA -0.124 3.874 4.340 -0.569 0.000 0.232 684 R C 1.456 177.785 176.300 0.048 0.000 1.126 684 R CA 1.408 57.567 56.100 0.100 0.000 0.963 684 R CB -0.372 29.962 30.300 0.057 0.000 0.858 684 R HN 0.380 nan 8.270 nan 0.000 0.435 685 N N 0.190 118.896 118.700 0.009 0.000 2.313 685 N HA -0.046 4.352 4.740 -0.569 0.000 0.207 685 N C 0.218 175.730 175.510 0.004 0.000 1.141 685 N CA 0.577 53.608 53.050 -0.033 0.000 0.830 685 N CB 0.566 38.979 38.487 -0.123 0.000 1.008 685 N HN 0.078 nan 8.380 nan 0.000 0.481 686 S N -1.623 114.129 115.700 0.086 0.000 2.629 686 S HA 0.063 4.191 4.470 -0.569 0.000 0.236 686 S C 0.622 175.348 174.600 0.210 0.000 1.010 686 S CA -0.343 57.962 58.200 0.175 0.000 0.981 686 S CB -0.526 62.849 63.200 0.293 0.000 0.919 686 S HN 0.344 nan 8.310 nan 0.000 0.514 687 T N -0.544 114.074 114.554 0.106 0.000 2.899 687 T HA 0.459 4.467 4.350 -0.569 0.000 0.295 687 T C 1.322 176.043 174.700 0.034 0.000 1.033 687 T CA -0.443 61.686 62.100 0.048 0.000 1.084 687 T CB 1.187 70.044 68.868 -0.019 0.000 0.979 687 T HN -0.043 nan 8.240 nan 0.000 0.532 688 V N 2.035 121.958 119.914 0.015 0.000 2.548 688 V HA -0.107 3.671 4.120 -0.569 0.000 0.249 688 V C 2.609 178.674 176.094 -0.049 0.000 1.055 688 V CA 1.509 63.798 62.300 -0.019 0.000 1.065 688 V CB -0.952 30.849 31.823 -0.037 0.000 0.681 688 V HN 0.821 nan 8.190 nan 0.000 0.462 689 M N 1.249 120.807 119.600 -0.071 0.000 2.106 689 M HA -0.185 3.953 4.480 -0.569 0.000 0.259 689 M C 2.352 178.620 176.300 -0.052 0.000 1.068 689 M CA 2.248 57.495 55.300 -0.089 0.000 1.100 689 M CB -1.073 31.488 32.600 -0.065 0.000 1.351 689 M HN 0.519 nan 8.290 nan 0.000 0.404 690 S N -0.229 115.456 115.700 -0.025 0.000 2.493 690 S HA -0.105 4.023 4.470 -0.569 0.000 0.243 690 S C 1.630 176.232 174.600 0.004 0.000 0.991 690 S CA 0.822 59.016 58.200 -0.011 0.000 0.957 690 S CB -0.511 62.685 63.200 -0.007 0.000 0.756 690 S HN 0.563 nan 8.310 nan 0.000 0.521 691 R N 0.023 120.538 120.500 0.025 0.000 2.546 691 R HA 0.468 4.467 4.340 -0.569 0.000 0.320 691 R C 1.985 178.384 176.300 0.165 0.000 1.021 691 R CA 0.404 56.547 56.100 0.072 0.000 1.088 691 R CB -0.027 30.317 30.300 0.074 0.000 1.278 691 R HN 0.432 nan 8.270 nan 0.000 0.557 692 A N 1.596 124.453 122.820 0.061 0.000 1.903 692 A HA -0.281 3.697 4.320 -0.569 0.000 0.219 692 A C 1.991 179.647 177.584 0.119 0.000 1.191 692 A CA 1.856 53.894 52.037 0.002 0.000 0.638 692 A CB -0.247 18.683 19.000 -0.116 0.000 0.823 692 A HN 0.235 nan 8.150 nan 0.000 0.451 693 E N 0.348 120.593 120.200 0.076 0.000 2.097 693 E HA -0.205 3.804 4.350 -0.569 0.000 0.196 693 E C 1.699 178.356 176.600 0.096 0.000 1.000 693 E CA 1.877 58.320 56.400 0.071 0.000 0.804 693 E CB -0.508 29.216 29.700 0.041 0.000 0.740 693 E HN 0.802 nan 8.360 nan 0.000 0.454 694 N N -1.222 117.535 118.700 0.094 0.000 2.443 694 N HA -0.118 4.281 4.740 -0.569 0.000 0.184 694 N C 0.903 176.403 175.510 -0.018 0.000 1.037 694 N CA 0.316 53.376 53.050 0.016 0.000 0.896 694 N CB -0.142 38.306 38.487 -0.064 0.000 0.959 694 N HN 0.139 nan 8.380 nan 0.000 0.442 695 F N 1.540 121.445 119.950 -0.075 0.000 2.546 695 F HA -0.006 4.183 4.527 -0.563 0.000 0.298 695 F C 1.864 177.669 175.800 0.008 0.000 1.120 695 F CA 0.736 58.691 58.000 -0.075 0.000 1.456 695 F CB -0.043 38.861 39.000 -0.159 0.000 1.088 695 F HN -0.076 nan 8.300 nan 0.000 0.572 696 K N -0.061 120.439 120.400 0.166 0.000 2.360 696 K HA -0.177 3.801 4.320 -0.569 0.000 0.201 696 K C 1.454 178.113 176.600 0.099 0.000 1.046 696 K CA 1.039 57.405 56.287 0.131 0.000 0.945 696 K CB -0.237 32.320 32.500 0.096 0.000 0.750 696 K HN 0.412 nan 8.250 nan 0.000 0.464 697 Q N 0.354 120.191 119.800 0.062 0.000 2.360 697 Q HA 0.035 4.033 4.340 -0.569 0.000 0.202 697 Q C 0.240 176.275 176.000 0.058 0.000 0.915 697 Q CA -0.015 55.815 55.803 0.045 0.000 0.943 697 Q CB 0.651 29.397 28.738 0.014 0.000 1.064 697 Q HN 0.141 nan 8.270 nan 0.000 0.511 698 V N -3.813 116.151 119.914 0.083 0.000 3.181 698 V HA 0.469 4.248 4.120 -0.569 0.000 0.308 698 V C -1.296 174.932 176.094 0.224 0.000 1.214 698 V CA -1.308 61.066 62.300 0.123 0.000 1.053 698 V CB 2.330 34.192 31.823 0.065 0.000 1.069 698 V HN -0.070 nan 8.190 nan 0.000 0.441 699 E N 1.348 121.708 120.200 0.266 0.000 2.115 699 E HA 0.425 4.433 4.350 -0.569 0.000 0.282 699 E C -1.902 175.058 176.600 0.600 0.000 0.987 699 E CA -0.361 56.266 56.400 0.377 0.000 0.797 699 E CB 1.573 31.415 29.700 0.236 0.000 1.086 699 E HN 0.658 nan 8.360 nan 0.000 0.397 700 Y N 3.649 124.212 120.300 0.438 0.000 2.393 700 Y HA 0.419 4.628 4.550 -0.568 0.000 0.341 700 Y C -1.365 174.645 175.900 0.185 0.000 0.988 700 Y CA -1.216 57.100 58.100 0.359 0.000 1.078 700 Y CB 0.917 39.634 38.460 0.428 0.000 1.203 700 Y HN 0.420 nan 8.280 nan 0.000 0.453 701 L N 8.143 129.090 121.223 -0.459 0.000 2.342 701 L HA 0.477 4.475 4.340 -0.569 0.000 0.276 701 L C -1.682 174.742 176.870 -0.744 0.000 0.997 701 L CA -0.710 53.699 54.840 -0.718 0.000 0.838 701 L CB 1.034 42.338 42.059 -1.258 0.000 1.224 701 L HN 0.660 nan 8.230 nan 0.000 0.416 702 L N 6.210 127.075 121.223 -0.595 0.000 2.287 702 L HA 0.579 4.578 4.340 -0.569 0.000 0.287 702 L C -0.787 175.969 176.870 -0.190 0.000 1.022 702 L CA -0.457 54.125 54.840 -0.430 0.000 0.814 702 L CB 1.604 43.499 42.059 -0.272 0.000 1.217 702 L HN 0.598 nan 8.230 nan 0.000 0.420 703 I N 3.780 124.260 120.570 -0.150 0.000 2.608 703 I HA 0.507 4.335 4.170 -0.569 0.000 0.295 703 I C -0.882 175.245 176.117 0.016 0.000 1.049 703 I CA -0.765 60.498 61.300 -0.062 0.000 1.063 703 I CB 2.086 40.012 38.000 -0.123 0.000 1.248 703 I HN 0.520 nan 8.210 nan 0.000 0.424 704 H N 2.497 121.631 119.070 0.107 0.000 3.123 704 H HA 0.352 4.582 4.556 -0.544 0.000 0.346 704 H C -0.852 174.688 175.328 0.353 0.000 1.138 704 H CA -0.594 55.567 56.048 0.190 0.000 1.273 704 H CB 2.386 32.241 29.762 0.155 0.000 1.926 704 H HN 0.760 nan 8.280 nan 0.000 0.524 705 G N 1.224 110.352 108.800 0.547 0.000 2.370 705 G HA2 0.230 3.849 3.960 -0.569 0.000 0.272 705 G HA3 0.230 3.849 3.960 -0.569 0.000 0.272 705 G C 1.110 176.257 174.900 0.411 0.000 1.208 705 G CA 0.197 45.560 45.100 0.439 0.000 0.856 705 G HN 0.645 nan 8.290 nan 0.000 0.500 706 T N -0.481 114.165 114.554 0.154 0.000 3.007 706 T HA 0.050 4.058 4.350 -0.569 0.000 0.270 706 T C 1.700 176.323 174.700 -0.129 0.000 1.107 706 T CA 1.238 63.228 62.100 -0.184 0.000 1.118 706 T CB 0.173 68.838 68.868 -0.339 0.000 0.889 706 T HN 0.654 nan 8.240 nan 0.000 0.506 707 A N 0.909 123.732 122.820 0.005 0.000 2.610 707 A HA 0.290 4.268 4.320 -0.569 0.000 0.286 707 A C 0.470 177.953 177.584 -0.169 0.000 1.306 707 A CA -0.506 51.478 52.037 -0.089 0.000 0.942 707 A CB -0.215 19.012 19.000 0.379 0.000 1.112 707 A HN 0.390 nan 8.150 nan 0.000 0.527 708 D N 1.558 121.918 120.400 -0.067 0.000 2.346 708 D HA -0.020 4.278 4.640 -0.569 0.000 0.260 708 D C 0.307 176.566 176.300 -0.068 0.000 1.252 708 D CA 0.213 54.285 54.000 0.121 0.000 0.895 708 D CB 0.712 41.755 40.800 0.405 0.000 1.097 708 D HN 0.552 nan 8.370 nan 0.000 0.489 709 D N 2.603 123.023 120.400 0.033 0.000 2.323 709 D HA -0.144 4.154 4.640 -0.569 0.000 0.209 709 D C 0.969 177.252 176.300 -0.029 0.000 0.973 709 D CA 0.031 54.000 54.000 -0.052 0.000 0.874 709 D CB 0.371 41.092 40.800 -0.131 0.000 0.930 709 D HN 0.254 nan 8.370 nan 0.000 0.521 710 N N 0.820 119.596 118.700 0.126 0.000 2.335 710 N HA -0.050 4.349 4.740 -0.569 0.000 0.197 710 N C -0.016 175.460 175.510 -0.058 0.000 1.045 710 N CA 0.524 53.661 53.050 0.145 0.000 0.928 710 N CB 0.501 38.991 38.487 0.005 0.000 1.118 710 N HN -0.097 nan 8.380 nan 0.000 0.471 711 V N 3.277 123.160 119.914 -0.053 0.000 2.270 711 V HA 0.200 3.978 4.120 -0.569 0.000 0.263 711 V C -0.467 175.717 176.094 0.151 0.000 1.066 711 V CA -0.416 61.913 62.300 0.048 0.000 0.857 711 V CB -0.590 31.293 31.823 0.101 0.000 1.099 711 V HN 0.285 nan 8.190 nan 0.000 0.476 712 H N 2.997 122.029 119.070 -0.063 0.000 3.038 712 H HA -0.079 4.135 4.556 -0.570 0.000 0.338 712 H C 0.882 176.053 175.328 -0.261 0.000 1.041 712 H CA 0.011 55.947 56.048 -0.186 0.000 1.394 712 H CB 0.750 30.314 29.762 -0.330 0.000 1.357 712 H HN 0.608 nan 8.280 nan 0.000 0.600 713 F N 2.102 121.828 119.950 -0.373 0.000 2.192 713 F HA -0.297 4.139 4.527 -0.153 0.000 0.301 713 F C 2.572 178.091 175.800 -0.468 0.000 1.079 713 F CA 1.782 59.361 58.000 -0.701 0.000 1.303 713 F CB -0.232 38.531 39.000 -0.395 0.000 1.024 713 F HN 0.660 nan 8.300 nan 0.000 0.494 714 Q N 0.193 119.834 119.800 -0.264 0.000 2.118 714 Q HA -0.322 3.677 4.340 -0.569 0.000 0.211 714 Q C 2.135 177.867 176.000 -0.446 0.000 0.998 714 Q CA 2.353 57.947 55.803 -0.348 0.000 0.872 714 Q CB -0.396 28.112 28.738 -0.383 0.000 0.925 714 Q HN 0.567 nan 8.270 nan 0.000 0.414 715 Q N -0.239 119.343 119.800 -0.363 0.000 2.096 715 Q HA -0.166 3.832 4.340 -0.569 0.000 0.208 715 Q C 2.267 178.155 176.000 -0.187 0.000 0.993 715 Q CA 1.958 57.664 55.803 -0.162 0.000 0.862 715 Q CB -0.222 28.504 28.738 -0.020 0.000 0.915 715 Q HN 0.355 nan 8.270 nan 0.000 0.416 716 S N 0.296 115.779 115.700 -0.362 0.000 2.414 716 S HA 0.022 4.151 4.470 -0.569 0.000 0.227 716 S C 1.975 176.327 174.600 -0.415 0.000 1.022 716 S CA 0.653 58.654 58.200 -0.332 0.000 0.958 716 S CB -0.033 62.966 63.200 -0.334 0.000 0.797 716 S HN 0.467 nan 8.310 nan 0.000 0.493 717 A N 1.460 123.913 122.820 -0.612 0.000 1.902 717 A HA -0.112 3.866 4.320 -0.569 0.000 0.217 717 A C 2.133 179.607 177.584 -0.185 0.000 1.181 717 A CA 1.091 52.897 52.037 -0.385 0.000 0.623 717 A CB -0.440 18.377 19.000 -0.305 0.000 0.818 717 A HN 0.337 nan 8.150 nan 0.000 0.443 718 Q N -0.975 118.721 119.800 -0.172 0.000 2.167 718 Q HA -0.105 3.894 4.340 -0.569 0.000 0.202 718 Q C 2.082 178.047 176.000 -0.058 0.000 0.970 718 Q CA 1.245 57.010 55.803 -0.063 0.000 0.855 718 Q CB -0.493 28.270 28.738 0.041 0.000 0.911 718 Q HN 0.606 nan 8.270 nan 0.000 0.438 719 L N 1.058 122.224 121.223 -0.094 0.000 2.027 719 L HA -0.135 3.863 4.340 -0.569 0.000 0.206 719 L C 2.335 179.078 176.870 -0.212 0.000 1.074 719 L CA 2.367 57.121 54.840 -0.143 0.000 0.745 719 L CB -1.015 40.967 42.059 -0.128 0.000 0.898 719 L HN 0.207 nan 8.230 nan 0.000 0.433 720 S N -0.755 114.855 115.700 -0.151 0.000 2.382 720 S HA -0.292 3.836 4.470 -0.569 0.000 0.228 720 S C 2.140 176.725 174.600 -0.024 0.000 1.027 720 S CA 1.422 59.569 58.200 -0.089 0.000 0.991 720 S CB -0.723 62.595 63.200 0.197 0.000 0.823 720 S HN 0.572 nan 8.310 nan 0.000 0.469 721 K N 1.705 122.093 120.400 -0.020 0.000 2.097 721 K HA 0.043 4.022 4.320 -0.569 0.000 0.206 721 K C 2.196 178.776 176.600 -0.033 0.000 1.049 721 K CA 1.121 57.408 56.287 0.000 0.000 0.933 721 K CB -0.628 31.868 32.500 -0.006 0.000 0.717 721 K HN 0.463 nan 8.250 nan 0.000 0.442 722 A N 0.814 123.582 122.820 -0.087 0.000 1.968 722 A HA -0.041 3.937 4.320 -0.569 0.000 0.217 722 A C 2.012 179.509 177.584 -0.145 0.000 1.169 722 A CA 0.994 52.969 52.037 -0.102 0.000 0.638 722 A CB -0.409 18.518 19.000 -0.122 0.000 0.812 722 A HN 0.304 nan 8.150 nan 0.000 0.446 723 L N -0.829 120.242 121.223 -0.255 0.000 2.109 723 L HA -0.101 3.897 4.340 -0.569 0.000 0.207 723 L C 2.462 179.297 176.870 -0.059 0.000 1.086 723 L CA 0.702 55.352 54.840 -0.317 0.000 0.760 723 L CB -0.507 41.048 42.059 -0.840 0.000 0.910 723 L HN 0.215 nan 8.230 nan 0.000 0.437 724 V N -0.055 119.892 119.914 0.054 0.000 2.343 724 V HA -0.279 3.500 4.120 -0.569 0.000 0.247 724 V C 2.013 178.148 176.094 0.069 0.000 1.051 724 V CA 1.859 64.246 62.300 0.144 0.000 1.036 724 V CB -0.465 31.450 31.823 0.154 0.000 0.654 724 V HN 0.433 nan 8.190 nan 0.000 0.451 725 D N 0.405 120.821 120.400 0.028 0.000 2.219 725 D HA -0.063 4.236 4.640 -0.569 0.000 0.205 725 D C 1.958 178.267 176.300 0.015 0.000 0.970 725 D CA 1.437 55.448 54.000 0.018 0.000 0.851 725 D CB -0.121 40.680 40.800 0.003 0.000 0.943 725 D HN 0.483 nan 8.370 nan 0.000 0.488 726 A N -0.291 122.532 122.820 0.005 0.000 2.251 726 A HA 0.417 4.396 4.320 -0.569 0.000 0.209 726 A C 1.701 179.307 177.584 0.036 0.000 1.187 726 A CA 0.885 52.928 52.037 0.010 0.000 0.823 726 A CB -0.127 18.866 19.000 -0.012 0.000 0.846 726 A HN 0.207 nan 8.150 nan 0.000 0.486 727 G N -1.004 107.829 108.800 0.055 0.000 2.160 727 G HA2 -0.178 3.440 3.960 -0.569 0.000 0.244 727 G HA3 -0.178 3.440 3.960 -0.569 0.000 0.244 727 G C 0.048 175.011 174.900 0.105 0.000 1.022 727 G CA 0.199 45.344 45.100 0.076 0.000 0.741 727 G HN 0.780 nan 8.290 nan 0.000 0.508 728 V N 0.494 120.483 119.914 0.124 0.000 2.465 728 V HA 0.495 4.273 4.120 -0.569 0.000 0.279 728 V C 0.384 176.677 176.094 0.331 0.000 1.045 728 V CA -0.439 61.966 62.300 0.175 0.000 0.938 728 V CB 1.755 33.639 31.823 0.102 0.000 0.986 728 V HN 0.384 nan 8.190 nan 0.000 0.467 729 D N 4.020 124.605 120.400 0.307 0.000 2.210 729 D HA 0.635 4.934 4.640 -0.569 0.000 0.249 729 D C -0.711 175.879 176.300 0.482 0.000 1.078 729 D CA 0.032 54.226 54.000 0.323 0.000 0.875 729 D CB 0.901 41.803 40.800 0.171 0.000 1.175 729 D HN 0.337 nan 8.370 nan 0.000 0.440 730 F N -0.258 119.775 119.950 0.137 0.000 2.741 730 F HA 0.453 4.632 4.527 -0.580 0.000 0.313 730 F C -1.113 174.750 175.800 0.104 0.000 1.153 730 F CA -1.109 56.998 58.000 0.177 0.000 0.931 730 F CB 0.657 39.801 39.000 0.239 0.000 1.335 730 F HN 0.190 nan 8.300 nan 0.000 0.460 731 Q N 0.532 120.361 119.800 0.048 0.000 2.215 731 Q HA 0.736 4.734 4.340 -0.569 0.000 0.256 731 Q C -1.066 174.845 176.000 -0.148 0.000 0.972 731 Q CA -0.918 54.821 55.803 -0.107 0.000 0.889 731 Q CB 2.281 31.029 28.738 0.016 0.000 1.281 731 Q HN 0.830 nan 8.270 nan 0.000 0.456 732 T N 1.126 115.580 114.554 -0.167 0.000 2.896 732 T HA 0.682 4.690 4.350 -0.569 0.000 0.297 732 T C -1.667 172.937 174.700 -0.161 0.000 1.108 732 T CA -0.588 61.443 62.100 -0.114 0.000 1.004 732 T CB 1.245 70.073 68.868 -0.067 0.000 1.159 732 T HN 0.499 nan 8.240 nan 0.000 0.499 733 M N 3.225 122.729 119.600 -0.160 0.000 2.310 733 M HA 0.461 4.600 4.480 -0.569 0.000 0.242 733 M C -2.241 173.906 176.300 -0.256 0.000 1.000 733 M CA -0.552 54.522 55.300 -0.378 0.000 0.970 733 M CB 0.856 33.182 32.600 -0.456 0.000 2.191 733 M HN 0.700 nan 8.290 nan 0.000 0.470 734 W N 4.457 125.587 121.300 -0.282 0.000 2.448 734 W HA 0.788 5.231 4.660 -0.361 0.000 0.339 734 W C -1.987 174.262 176.519 -0.451 0.000 1.124 734 W CA -0.864 56.390 57.345 -0.152 0.000 1.262 734 W CB 0.385 29.803 29.460 -0.070 0.000 1.251 734 W HN 0.603 nan 8.180 nan 0.000 0.597 735 Y N 2.252 122.701 120.300 0.249 0.000 2.426 735 Y HA 0.292 4.501 4.550 -0.568 0.000 0.325 735 Y C 0.383 176.390 175.900 0.179 0.000 0.989 735 Y CA -1.226 56.935 58.100 0.102 0.000 1.284 735 Y CB 1.272 39.744 38.460 0.020 0.000 1.104 735 Y HN 0.439 nan 8.280 nan 0.000 0.481 736 T N 4.486 119.215 114.554 0.292 0.000 2.866 736 T HA -0.033 3.975 4.350 -0.569 0.000 0.293 736 T C 0.233 174.995 174.700 0.103 0.000 1.005 736 T CA 0.657 62.844 62.100 0.145 0.000 1.162 736 T CB -0.077 68.812 68.868 0.036 0.000 0.968 736 T HN 0.692 nan 8.240 nan 0.000 0.530 737 D N 0.704 121.142 120.400 0.064 0.000 3.077 737 D HA -0.127 4.171 4.640 -0.569 0.000 0.217 737 D C 0.207 176.636 176.300 0.214 0.000 1.162 737 D CA 1.123 55.127 54.000 0.006 0.000 0.943 737 D CB -0.391 40.213 40.800 -0.326 0.000 1.122 737 D HN 0.588 nan 8.370 nan 0.000 0.413 738 E N 1.025 121.359 120.200 0.223 0.000 2.301 738 E HA 0.311 4.320 4.350 -0.569 0.000 0.275 738 E C 0.715 177.479 176.600 0.273 0.000 1.030 738 E CA -0.284 56.260 56.400 0.239 0.000 0.852 738 E CB 1.145 30.968 29.700 0.204 0.000 1.060 738 E HN 0.360 nan 8.360 nan 0.000 0.401 739 D N -0.052 120.524 120.400 0.292 0.000 2.475 739 D HA -0.028 4.271 4.640 -0.569 0.000 0.286 739 D C 1.150 177.662 176.300 0.353 0.000 1.205 739 D CA -0.158 54.038 54.000 0.327 0.000 1.092 739 D CB -0.015 41.009 40.800 0.374 0.000 1.147 739 D HN 0.406 nan 8.370 nan 0.000 0.575 740 H N -1.386 117.850 119.070 0.276 0.000 2.422 740 H HA 0.010 4.222 4.556 -0.574 0.000 0.298 740 H C 2.032 177.580 175.328 0.366 0.000 1.098 740 H CA 2.237 58.461 56.048 0.293 0.000 1.315 740 H CB -0.561 29.371 29.762 0.284 0.000 1.382 740 H HN 0.492 nan 8.280 nan 0.000 0.523 741 G N -0.084 108.857 108.800 0.235 0.000 2.430 741 G HA2 -0.044 3.574 3.960 -0.569 0.000 0.216 741 G HA3 -0.044 3.574 3.960 -0.569 0.000 0.216 741 G C 0.689 175.778 174.900 0.315 0.000 1.146 741 G CA 0.432 45.618 45.100 0.143 0.000 0.793 741 G HN 0.545 nan 8.290 nan 0.000 0.537 742 I N -0.166 120.564 120.570 0.267 0.000 6.833 742 I HA -0.285 3.543 4.170 -0.569 0.000 0.126 742 I C 1.343 177.568 176.117 0.180 0.000 1.810 742 I CA 0.118 61.530 61.300 0.186 0.000 2.119 742 I CB -1.316 36.760 38.000 0.128 0.000 3.512 742 I HN 0.273 nan 8.210 nan 0.000 0.194 743 A N 1.043 123.944 122.820 0.136 0.000 2.430 743 A HA 0.343 4.321 4.320 -0.569 0.000 0.243 743 A C 1.125 178.743 177.584 0.056 0.000 1.254 743 A CA 0.568 52.650 52.037 0.075 0.000 0.914 743 A CB 0.138 19.149 19.000 0.019 0.000 0.998 743 A HN 0.651 nan 8.150 nan 0.000 0.515 744 S N -0.435 115.313 115.700 0.080 0.000 2.579 744 S HA 0.071 4.199 4.470 -0.569 0.000 0.275 744 S C 0.771 175.417 174.600 0.077 0.000 1.345 744 S CA 0.303 58.544 58.200 0.070 0.000 1.031 744 S CB 0.128 63.375 63.200 0.079 0.000 0.892 744 S HN 0.505 nan 8.310 nan 0.000 0.529 745 N N 1.070 119.804 118.700 0.057 0.000 2.061 745 N HA -0.154 4.244 4.740 -0.569 0.000 0.193 745 N C 1.611 177.179 175.510 0.098 0.000 1.030 745 N CA 1.703 54.796 53.050 0.072 0.000 0.856 745 N CB -0.274 38.234 38.487 0.036 0.000 1.023 745 N HN 0.516 nan 8.380 nan 0.000 0.424 746 M N 0.423 120.066 119.600 0.072 0.000 2.254 746 M HA 0.050 4.189 4.480 -0.569 0.000 0.265 746 M C 2.242 178.591 176.300 0.081 0.000 1.066 746 M CA 0.754 56.097 55.300 0.072 0.000 1.123 746 M CB -1.230 31.404 32.600 0.057 0.000 1.388 746 M HN 0.162 nan 8.290 nan 0.000 0.425 747 A N -0.988 121.861 122.820 0.048 0.000 1.897 747 A HA -0.188 3.790 4.320 -0.569 0.000 0.215 747 A C 2.067 179.596 177.584 -0.092 0.000 1.181 747 A CA 1.945 53.940 52.037 -0.070 0.000 0.620 747 A CB -1.014 17.915 19.000 -0.117 0.000 0.821 747 A HN 0.548 nan 8.150 nan 0.000 0.443 748 H N 0.075 119.116 119.070 -0.050 0.000 2.289 748 H HA -0.171 4.042 4.556 -0.571 0.000 0.296 748 H C 2.078 177.454 175.328 0.080 0.000 1.091 748 H CA 2.466 58.535 56.048 0.034 0.000 1.274 748 H CB -0.284 29.513 29.762 0.059 0.000 1.364 748 H HN 0.570 nan 8.280 nan 0.000 0.490 749 Q N -1.123 118.637 119.800 -0.066 0.000 2.119 749 Q HA -0.181 3.817 4.340 -0.569 0.000 0.201 749 Q C 2.260 178.216 176.000 -0.073 0.000 0.972 749 Q CA 1.293 57.023 55.803 -0.122 0.000 0.847 749 Q CB -0.189 28.528 28.738 -0.034 0.000 0.903 749 Q HN 0.637 nan 8.270 nan 0.000 0.433 750 H N 0.769 119.790 119.070 -0.082 0.000 2.357 750 H HA -0.069 4.148 4.556 -0.565 0.000 0.301 750 H C 2.023 177.323 175.328 -0.047 0.000 1.082 750 H CA 1.286 57.319 56.048 -0.025 0.000 1.342 750 H CB -0.022 29.779 29.762 0.066 0.000 1.389 750 H HN 0.278 nan 8.280 nan 0.000 0.511 751 I N 0.100 120.612 120.570 -0.097 0.000 2.252 751 I HA -0.324 3.505 4.170 -0.569 0.000 0.245 751 I C 1.784 177.661 176.117 -0.399 0.000 1.102 751 I CA 1.257 62.413 61.300 -0.240 0.000 1.385 751 I CB -0.271 37.383 38.000 -0.576 0.000 1.064 751 I HN 0.123 nan 8.210 nan 0.000 0.414 752 Y N 0.975 121.055 120.300 -0.367 0.000 2.293 752 Y HA -0.183 4.028 4.550 -0.564 0.000 0.291 752 Y C 2.713 178.390 175.900 -0.372 0.000 1.137 752 Y CA 1.731 59.495 58.100 -0.559 0.000 1.202 752 Y CB -0.900 37.257 38.460 -0.506 0.000 0.990 752 Y HN 0.166 nan 8.280 nan 0.000 0.537 753 T N -1.711 112.744 114.554 -0.165 0.000 2.777 753 T HA -0.215 3.794 4.350 -0.569 0.000 0.266 753 T C 1.582 176.072 174.700 -0.351 0.000 1.040 753 T CA 1.825 63.771 62.100 -0.256 0.000 1.141 753 T CB -0.431 68.281 68.868 -0.260 0.000 0.868 753 T HN 0.410 nan 8.240 nan 0.000 0.444 754 H N 0.918 119.801 119.070 -0.311 0.000 2.353 754 H HA 0.117 4.335 4.556 -0.564 0.000 0.300 754 H C 2.126 177.408 175.328 -0.077 0.000 1.090 754 H CA 1.524 57.474 56.048 -0.164 0.000 1.327 754 H CB -0.240 29.459 29.762 -0.105 0.000 1.383 754 H HN 0.249 nan 8.280 nan 0.000 0.508 755 M N -0.854 118.670 119.600 -0.128 0.000 2.296 755 M HA -0.129 4.009 4.480 -0.569 0.000 0.265 755 M C 2.313 178.711 176.300 0.164 0.000 1.064 755 M CA 1.218 56.458 55.300 -0.099 0.000 1.109 755 M CB 0.137 32.469 32.600 -0.446 0.000 1.396 755 M HN 0.194 nan 8.290 nan 0.000 0.430 756 S N -0.654 115.152 115.700 0.176 0.000 2.368 756 S HA -0.126 4.003 4.470 -0.569 0.000 0.224 756 S C 1.686 176.388 174.600 0.170 0.000 1.029 756 S CA 0.937 59.338 58.200 0.335 0.000 0.988 756 S CB -0.439 62.968 63.200 0.345 0.000 0.838 756 S HN 0.470 nan 8.310 nan 0.000 0.462 757 H N 0.083 119.207 119.070 0.089 0.000 2.321 757 H HA 0.003 4.216 4.556 -0.571 0.000 0.300 757 H C 1.933 177.253 175.328 -0.013 0.000 1.087 757 H CA 1.122 57.176 56.048 0.011 0.000 1.319 757 H CB -0.862 28.862 29.762 -0.064 0.000 1.379 757 H HN 0.429 nan 8.280 nan 0.000 0.501 758 F N 1.135 121.055 119.950 -0.050 0.000 2.069 758 F HA -0.189 4.000 4.527 -0.563 0.000 0.298 758 F C 2.528 178.277 175.800 -0.084 0.000 1.113 758 F CA 1.066 59.009 58.000 -0.094 0.000 1.214 758 F CB -0.641 38.276 39.000 -0.138 0.000 0.978 758 F HN 0.015 nan 8.300 nan 0.000 0.474 759 L N 0.159 121.406 121.223 0.041 0.000 2.012 759 L HA -0.278 3.720 4.340 -0.569 0.000 0.210 759 L C 2.434 179.114 176.870 -0.318 0.000 1.073 759 L CA 1.875 56.583 54.840 -0.220 0.000 0.748 759 L CB -0.518 41.514 42.059 -0.045 0.000 0.891 759 L HN 0.172 nan 8.230 nan 0.000 0.431 760 K N -1.019 119.344 120.400 -0.061 0.000 2.148 760 K HA -0.175 3.803 4.320 -0.569 0.000 0.204 760 K C 2.124 178.710 176.600 -0.022 0.000 1.050 760 K CA 0.884 57.188 56.287 0.027 0.000 0.942 760 K CB 0.004 32.572 32.500 0.114 0.000 0.724 760 K HN 0.354 nan 8.250 nan 0.000 0.446 761 Q N 0.208 119.943 119.800 -0.108 0.000 2.046 761 Q HA -0.190 3.808 4.340 -0.569 0.000 0.200 761 Q C 2.447 178.344 176.000 -0.172 0.000 0.975 761 Q CA 1.345 57.068 55.803 -0.135 0.000 0.836 761 Q CB -0.540 28.083 28.738 -0.191 0.000 0.896 761 Q HN 0.420 nan 8.270 nan 0.000 0.428 762 c N 0.111 118.510 118.600 -0.335 0.000 2.425 762 c HA -0.093 4.136 4.570 -0.569 0.000 0.277 762 c C 2.132 176.215 174.090 -0.012 0.000 1.280 762 c CA 0.317 56.470 56.329 -0.293 0.000 1.744 762 c CB -1.035 41.154 42.510 -0.536 0.000 1.989 762 c HN 0.343 nan 8.230 nan 0.000 0.491 763 F N 1.727 121.646 119.950 -0.052 0.000 2.765 763 F HA 0.241 4.428 4.527 -0.567 0.000 0.302 763 F C 1.708 177.496 175.800 -0.019 0.000 1.111 763 F CA 0.478 58.467 58.000 -0.018 0.000 1.359 763 F CB -1.149 37.850 39.000 -0.002 0.000 1.097 763 F HN 0.232 nan 8.300 nan 0.000 0.577 764 S N 0.720 116.503 115.700 0.138 0.000 3.641 764 S HA -0.201 3.927 4.470 -0.569 0.000 0.346 764 S C 0.084 174.729 174.600 0.074 0.000 1.074 764 S CA 0.121 58.365 58.200 0.073 0.000 1.026 764 S CB -2.135 61.098 63.200 0.055 0.000 0.908 764 S HN 0.232 nan 8.310 nan 0.000 0.479 765 L N 2.056 123.339 121.223 0.101 0.000 2.289 765 L HA 0.476 4.474 4.340 -0.569 0.000 0.285 765 L C -0.923 175.987 176.870 0.068 0.000 1.049 765 L CA -1.840 53.052 54.840 0.088 0.000 0.804 765 L CB 0.372 42.506 42.059 0.125 0.000 1.195 765 L HN 0.074 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