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 2aj8_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 0.000 174.648 174.600 0.080 0.000 1.055 39 S CA 0.000 58.236 58.200 0.060 0.000 1.107 39 S CB 0.000 63.231 63.200 0.051 0.000 0.593 40 R N 1.394 121.941 120.500 0.080 0.000 1.138 40 R HA -0.086 3.898 4.340 -0.593 0.000 0.413 40 R C -0.422 175.939 176.300 0.100 0.000 1.362 40 R CA 0.704 56.859 56.100 0.091 0.000 1.394 40 R CB -0.179 30.179 30.300 0.096 0.000 3.813 40 R HN 0.709 nan 8.270 nan 0.000 0.482 41 R N 1.665 122.232 120.500 0.111 0.000 2.615 41 R HA 0.209 4.194 4.340 -0.593 0.000 0.270 41 R C 0.071 176.455 176.300 0.140 0.000 1.081 41 R CA 0.601 56.778 56.100 0.129 0.000 1.154 41 R CB 0.879 31.273 30.300 0.156 0.000 1.063 41 R HN 0.737 nan 8.270 nan 0.000 0.519 42 T N -0.391 114.256 114.554 0.155 0.000 2.937 42 T HA 0.214 4.208 4.350 -0.593 0.000 0.283 42 T C -0.453 174.394 174.700 0.244 0.000 1.012 42 T CA -0.651 61.553 62.100 0.174 0.000 0.997 42 T CB 0.824 69.791 68.868 0.166 0.000 1.136 42 T HN 0.517 nan 8.240 nan 0.000 0.551 43 Y N 2.534 122.917 120.300 0.139 0.000 2.486 43 Y HA 0.386 4.580 4.550 -0.593 0.000 0.348 43 Y C 0.956 177.034 175.900 0.296 0.000 1.000 43 Y CA -0.354 57.868 58.100 0.203 0.000 1.253 43 Y CB -0.079 38.451 38.460 0.118 0.000 1.140 43 Y HN 1.018 nan 8.280 nan 0.000 0.526 44 T N 2.555 117.097 114.554 -0.020 0.000 2.824 44 T HA 0.127 4.121 4.350 -0.593 0.000 0.277 44 T C 0.951 175.506 174.700 -0.240 0.000 0.975 44 T CA -0.666 61.447 62.100 0.022 0.000 0.966 44 T CB 1.114 69.967 68.868 -0.025 0.000 1.054 44 T HN 0.688 nan 8.240 nan 0.000 0.533 45 L N 0.803 121.684 121.223 -0.570 0.000 2.056 45 L HA 0.042 4.027 4.340 -0.593 0.000 0.207 45 L C 2.656 179.369 176.870 -0.262 0.000 1.078 45 L CA 2.128 56.542 54.840 -0.709 0.000 0.749 45 L CB -1.525 40.050 42.059 -0.807 0.000 0.901 45 L HN 0.958 nan 8.230 nan 0.000 0.433 46 T N -0.534 113.891 114.554 -0.215 0.000 2.746 46 T HA -0.156 3.838 4.350 -0.593 0.000 0.267 46 T C 1.496 176.097 174.700 -0.164 0.000 1.039 46 T CA 1.421 63.429 62.100 -0.153 0.000 1.142 46 T CB -0.367 68.433 68.868 -0.113 0.000 0.866 46 T HN 0.387 nan 8.240 nan 0.000 0.444 47 D N 0.161 120.429 120.400 -0.221 0.000 2.123 47 D HA -0.105 4.179 4.640 -0.593 0.000 0.196 47 D C 1.753 177.956 176.300 -0.162 0.000 0.992 47 D CA 1.134 54.973 54.000 -0.268 0.000 0.833 47 D CB -0.361 40.153 40.800 -0.477 0.000 0.954 47 D HN 0.425 nan 8.370 nan 0.000 0.455 48 Y N 1.525 121.660 120.300 -0.275 0.000 2.133 48 Y HA -0.087 4.107 4.550 -0.594 0.000 0.287 48 Y C 2.248 178.163 175.900 0.025 0.000 1.134 48 Y CA 1.150 59.274 58.100 0.040 0.000 1.133 48 Y CB -0.656 37.888 38.460 0.139 0.000 0.987 48 Y HN -0.113 nan 8.280 nan 0.000 0.502 49 L N 0.074 121.109 121.223 -0.313 0.000 2.127 49 L HA -0.199 3.785 4.340 -0.593 0.000 0.211 49 L C 1.746 178.494 176.870 -0.203 0.000 1.089 49 L CA 1.457 56.083 54.840 -0.357 0.000 0.757 49 L CB -0.450 41.486 42.059 -0.206 0.000 0.899 49 L HN 0.101 nan 8.230 nan 0.000 0.434 50 K N -0.455 119.855 120.400 -0.149 0.000 2.399 50 K HA 0.189 4.154 4.320 -0.593 0.000 0.204 50 K C 0.639 177.188 176.600 -0.085 0.000 1.023 50 K CA -0.026 56.198 56.287 -0.104 0.000 1.127 50 K CB 0.699 33.141 32.500 -0.098 0.000 0.856 50 K HN 0.023 nan 8.250 nan 0.000 0.514 51 S N 1.166 116.827 115.700 -0.065 0.000 3.559 51 S HA -0.175 3.939 4.470 -0.593 0.000 0.369 51 S C 1.429 176.023 174.600 -0.010 0.000 0.987 51 S CA 1.107 59.318 58.200 0.019 0.000 1.187 51 S CB -1.675 61.535 63.200 0.018 0.000 0.914 51 S HN 0.665 nan 8.310 nan 0.000 0.480 52 T N -1.952 112.540 114.554 -0.103 0.000 2.759 52 T HA -0.073 3.921 4.350 -0.593 0.000 0.269 52 T C 0.443 174.931 174.700 -0.352 0.000 1.042 52 T CA 0.968 62.891 62.100 -0.295 0.000 1.140 52 T CB -0.389 68.171 68.868 -0.513 0.000 0.864 52 T HN 0.357 nan 8.240 nan 0.000 0.455 53 F N 2.401 122.440 119.950 0.148 0.000 2.350 53 F HA 0.603 4.774 4.527 -0.593 0.000 0.365 53 F C 0.549 176.453 175.800 0.174 0.000 1.122 53 F CA -1.461 56.650 58.000 0.184 0.000 1.139 53 F CB 0.758 39.934 39.000 0.293 0.000 1.220 53 F HN -0.044 nan 8.300 nan 0.000 0.499 54 R N 2.437 123.080 120.500 0.238 0.000 2.221 54 R HA 0.554 4.538 4.340 -0.593 0.000 0.327 54 R C -1.329 175.085 176.300 0.190 0.000 1.033 54 R CA -0.358 55.848 56.100 0.178 0.000 0.887 54 R CB 0.735 31.080 30.300 0.076 0.000 1.057 54 R HN 0.433 nan 8.270 nan 0.000 0.455 55 V N 5.702 125.753 119.914 0.228 0.000 2.461 55 V HA 0.272 4.037 4.120 -0.593 0.000 0.275 55 V C 0.318 176.512 176.094 0.167 0.000 1.047 55 V CA -0.355 62.091 62.300 0.243 0.000 0.955 55 V CB 1.156 33.191 31.823 0.353 0.000 0.988 55 V HN 0.715 nan 8.190 nan 0.000 0.471 56 K N 4.285 124.737 120.400 0.086 0.000 2.095 56 K HA 0.746 4.711 4.320 -0.593 0.000 0.252 56 K C -0.724 175.876 176.600 -0.000 0.000 0.977 56 K CA -0.309 55.911 56.287 -0.111 0.000 0.900 56 K CB 1.521 33.946 32.500 -0.125 0.000 1.060 56 K HN 0.592 nan 8.250 nan 0.000 0.449 57 F N -1.441 118.453 119.950 -0.094 0.000 2.790 57 F HA 0.521 4.693 4.527 -0.593 0.000 0.337 57 F C -1.250 174.221 175.800 -0.549 0.000 1.163 57 F CA -1.326 56.391 58.000 -0.471 0.000 0.997 57 F CB 0.767 39.676 39.000 -0.152 0.000 1.437 57 F HN 0.365 nan 8.300 nan 0.000 0.512 58 Y N 0.700 120.586 120.300 -0.691 0.000 2.475 58 Y HA 0.464 4.659 4.550 -0.592 0.000 0.343 58 Y C -1.020 174.849 175.900 -0.050 0.000 1.068 58 Y CA -0.752 57.173 58.100 -0.292 0.000 1.307 58 Y CB 1.104 39.272 38.460 -0.486 0.000 1.097 58 Y HN 0.739 nan 8.280 nan 0.000 0.530 59 T N 6.904 121.566 114.554 0.181 0.000 2.749 59 T HA 0.561 4.555 4.350 -0.593 0.000 0.295 59 T C -0.637 174.130 174.700 0.111 0.000 0.936 59 T CA -0.247 61.936 62.100 0.139 0.000 1.060 59 T CB 0.122 69.059 68.868 0.115 0.000 0.904 59 T HN 0.505 nan 8.240 nan 0.000 0.500 60 L N 1.668 122.899 121.223 0.013 0.000 2.327 60 L HA 0.744 4.728 4.340 -0.593 0.000 0.258 60 L C -0.763 176.049 176.870 -0.098 0.000 1.024 60 L CA -1.078 53.705 54.840 -0.095 0.000 0.825 60 L CB 1.586 43.260 42.059 -0.642 0.000 1.386 60 L HN 0.415 nan 8.230 nan 0.000 0.417 61 Q N 0.689 120.473 119.800 -0.027 0.000 2.320 61 Q HA 0.380 4.365 4.340 -0.593 0.000 0.268 61 Q C -1.769 174.286 176.000 0.092 0.000 1.023 61 Q CA -0.283 55.559 55.803 0.066 0.000 0.744 61 Q CB 1.518 30.348 28.738 0.153 0.000 1.246 61 Q HN 0.647 nan 8.270 nan 0.000 0.462 62 W N 3.690 125.104 121.300 0.190 0.000 2.210 62 W HA 0.152 4.456 4.660 -0.593 0.000 0.330 62 W C 1.170 177.781 176.519 0.154 0.000 1.334 62 W CA -0.224 57.240 57.345 0.198 0.000 1.227 62 W CB 0.523 30.095 29.460 0.187 0.000 1.178 62 W HN 0.671 nan 8.180 nan 0.000 0.560 63 I N 0.222 121.028 120.570 0.394 0.000 4.310 63 I HA 0.378 4.192 4.170 -0.593 0.000 0.328 63 I C 0.279 176.505 176.117 0.180 0.000 1.406 63 I CA -0.254 61.174 61.300 0.214 0.000 1.174 63 I CB -0.184 37.862 38.000 0.078 0.000 1.279 63 I HN 0.257 nan 8.210 nan 0.000 0.471 64 S N 0.296 116.143 115.700 0.246 0.000 2.671 64 S HA 0.172 4.286 4.470 -0.593 0.000 0.270 64 S C -0.206 174.533 174.600 0.231 0.000 1.166 64 S CA 0.062 58.376 58.200 0.190 0.000 0.868 64 S CB 0.749 64.017 63.200 0.113 0.000 1.190 64 S HN 0.235 nan 8.310 nan 0.000 0.494 65 D N 0.294 120.847 120.400 0.254 0.000 2.363 65 D HA -0.029 4.256 4.640 -0.593 0.000 0.220 65 D C 1.020 177.566 176.300 0.409 0.000 0.994 65 D CA 1.504 55.655 54.000 0.251 0.000 0.890 65 D CB -0.570 40.368 40.800 0.229 0.000 0.906 65 D HN 0.860 nan 8.370 nan 0.000 0.530 66 H N -1.952 117.280 119.070 0.269 0.000 3.394 66 H HA 0.425 4.626 4.556 -0.592 0.000 0.256 66 H C -0.800 174.685 175.328 0.261 0.000 1.180 66 H CA -0.484 55.714 56.048 0.249 0.000 1.064 66 H CB -0.458 29.424 29.762 0.199 0.000 1.854 66 H HN 0.038 nan 8.280 nan 0.000 0.731 67 E N 1.062 121.283 120.200 0.036 0.000 2.317 67 E HA 0.479 4.474 4.350 -0.593 0.000 0.270 67 E C -1.568 175.176 176.600 0.242 0.000 0.885 67 E CA -1.234 55.149 56.400 -0.029 0.000 0.760 67 E CB 2.837 32.399 29.700 -0.231 0.000 1.227 67 E HN 0.304 nan 8.360 nan 0.000 0.434 68 Y N -0.599 119.691 120.300 -0.016 0.000 2.544 68 Y HA 0.583 4.778 4.550 -0.592 0.000 0.342 68 Y C -1.682 174.206 175.900 -0.020 0.000 1.062 68 Y CA -1.355 56.663 58.100 -0.137 0.000 1.023 68 Y CB 0.746 38.817 38.460 -0.648 0.000 1.308 68 Y HN 0.349 nan 8.280 nan 0.000 0.457 69 L N 3.609 124.968 121.223 0.227 0.000 2.357 69 L HA 0.514 4.498 4.340 -0.593 0.000 0.273 69 L C -1.160 175.968 176.870 0.430 0.000 1.080 69 L CA -0.959 54.011 54.840 0.216 0.000 0.803 69 L CB 1.362 43.479 42.059 0.097 0.000 1.174 69 L HN 0.815 nan 8.230 nan 0.000 0.443 70 Y N 1.940 122.400 120.300 0.267 0.000 2.442 70 Y HA 0.287 4.481 4.550 -0.592 0.000 0.330 70 Y C -0.790 175.222 175.900 0.186 0.000 1.100 70 Y CA -1.213 56.998 58.100 0.184 0.000 1.034 70 Y CB 1.556 40.108 38.460 0.153 0.000 1.285 70 Y HN 0.443 nan 8.280 nan 0.000 0.440 71 K N 5.199 125.313 120.400 -0.477 0.000 2.285 71 K HA 0.317 4.281 4.320 -0.593 0.000 0.286 71 K C -1.119 175.126 176.600 -0.591 0.000 1.072 71 K CA -0.353 55.753 56.287 -0.302 0.000 0.913 71 K CB 0.688 33.128 32.500 -0.101 0.000 1.067 71 K HN 0.832 nan 8.250 nan 0.000 0.479 72 Q N 4.058 123.745 119.800 -0.188 0.000 2.275 72 Q HA 0.102 4.087 4.340 -0.593 0.000 0.266 72 Q C -0.991 175.013 176.000 0.007 0.000 1.002 72 Q CA -0.377 55.388 55.803 -0.063 0.000 0.761 72 Q CB 1.091 29.951 28.738 0.202 0.000 1.255 72 Q HN 0.674 nan 8.270 nan 0.000 0.446 73 E N 3.040 123.229 120.200 -0.019 0.000 2.791 73 E HA -0.303 3.691 4.350 -0.593 0.000 0.271 73 E C -0.462 176.143 176.600 0.007 0.000 1.044 73 E CA 1.173 57.572 56.400 -0.003 0.000 0.814 73 E CB -1.570 28.143 29.700 0.022 0.000 1.400 73 E HN 1.006 nan 8.360 nan 0.000 0.423 74 N N -1.842 116.855 118.700 -0.006 0.000 2.948 74 N HA -0.199 4.186 4.740 -0.593 0.000 0.239 74 N C -0.327 175.293 175.510 0.184 0.000 0.954 74 N CA 1.432 54.500 53.050 0.029 0.000 0.941 74 N CB -1.393 37.096 38.487 0.002 0.000 1.101 74 N HN 0.459 nan 8.380 nan 0.000 0.579 75 N N 0.478 119.256 118.700 0.130 0.000 2.492 75 N HA 0.552 4.936 4.740 -0.593 0.000 0.289 75 N C 0.023 175.621 175.510 0.147 0.000 1.133 75 N CA -0.351 52.783 53.050 0.140 0.000 0.961 75 N CB 1.375 39.910 38.487 0.079 0.000 1.186 75 N HN 0.084 nan 8.380 nan 0.000 0.493 76 I N 2.083 122.735 120.570 0.136 0.000 2.304 76 I HA 0.224 4.039 4.170 -0.593 0.000 0.291 76 I C -0.505 175.724 176.117 0.186 0.000 1.018 76 I CA -0.420 60.965 61.300 0.143 0.000 1.260 76 I CB 0.412 38.461 38.000 0.080 0.000 1.390 76 I HN 0.253 nan 8.210 nan 0.000 0.475 77 L N 6.511 127.867 121.223 0.222 0.000 2.343 77 L HA 0.465 4.449 4.340 -0.593 0.000 0.275 77 L C -0.543 176.427 176.870 0.168 0.000 1.056 77 L CA -0.919 54.030 54.840 0.182 0.000 0.804 77 L CB 1.842 44.045 42.059 0.240 0.000 1.203 77 L HN 0.410 nan 8.230 nan 0.000 0.440 78 L N 2.715 123.936 121.223 -0.004 0.000 2.298 78 L HA 0.507 4.491 4.340 -0.593 0.000 0.284 78 L C -1.026 175.687 176.870 -0.263 0.000 1.013 78 L CA 0.195 54.993 54.840 -0.070 0.000 0.824 78 L CB 0.698 42.747 42.059 -0.016 0.000 1.221 78 L HN 0.189 nan 8.230 nan 0.000 0.418 79 F N 3.663 123.356 119.950 -0.428 0.000 2.425 79 F HA 0.446 4.618 4.527 -0.592 0.000 0.331 79 F C 0.703 176.211 175.800 -0.487 0.000 1.085 79 F CA -0.366 57.289 58.000 -0.574 0.000 1.028 79 F CB 1.376 39.674 39.000 -1.170 0.000 1.177 79 F HN 0.513 nan 8.300 nan 0.000 0.487 80 N N 1.768 120.400 118.700 -0.113 0.000 2.476 80 N HA 0.308 4.692 4.740 -0.593 0.000 0.257 80 N C 0.252 175.743 175.510 -0.030 0.000 0.970 80 N CA -0.010 53.021 53.050 -0.032 0.000 0.938 80 N CB 1.818 40.360 38.487 0.093 0.000 1.144 80 N HN 0.778 nan 8.380 nan 0.000 0.500 81 A N 4.035 126.793 122.820 -0.103 0.000 1.930 81 A HA -0.121 3.843 4.320 -0.593 0.000 0.217 81 A C 1.776 179.135 177.584 -0.375 0.000 1.175 81 A CA 1.216 53.093 52.037 -0.268 0.000 0.627 81 A CB -0.309 18.358 19.000 -0.555 0.000 0.815 81 A HN 0.838 nan 8.150 nan 0.000 0.443 82 E N -1.033 118.972 120.200 -0.325 0.000 2.002 82 E HA -0.237 3.758 4.350 -0.593 0.000 0.213 82 E C 1.238 177.651 176.600 -0.313 0.000 1.024 82 E CA 2.131 58.338 56.400 -0.321 0.000 0.876 82 E CB -0.361 28.984 29.700 -0.591 0.000 0.799 82 E HN 0.793 nan 8.360 nan 0.000 0.497 83 Y N -0.739 119.593 120.300 0.053 0.000 2.462 83 Y HA 0.266 4.461 4.550 -0.593 0.000 0.293 83 Y C 1.481 177.395 175.900 0.024 0.000 1.195 83 Y CA 0.307 58.429 58.100 0.037 0.000 1.276 83 Y CB 0.321 38.801 38.460 0.032 0.000 1.082 83 Y HN 0.334 nan 8.280 nan 0.000 0.514 84 G N 0.680 109.552 108.800 0.122 0.000 2.196 84 G HA2 -0.403 3.202 3.960 -0.593 0.000 0.268 84 G HA3 -0.403 3.202 3.960 -0.593 0.000 0.268 84 G C 0.253 175.226 174.900 0.122 0.000 0.975 84 G CA 0.503 45.674 45.100 0.118 0.000 0.648 84 G HN 0.526 nan 8.290 nan 0.000 0.538 85 N N 0.170 118.923 118.700 0.087 0.000 2.444 85 N HA 0.565 4.950 4.740 -0.593 0.000 0.255 85 N C -0.148 175.253 175.510 -0.181 0.000 1.255 85 N CA 0.397 53.437 53.050 -0.016 0.000 0.933 85 N CB 1.510 39.994 38.487 -0.005 0.000 1.143 85 N HN 0.472 nan 8.380 nan 0.000 0.453 86 S N -1.151 114.352 115.700 -0.328 0.000 2.569 86 S HA 0.729 4.844 4.470 -0.593 0.000 0.280 86 S C -1.334 173.046 174.600 -0.366 0.000 1.111 86 S CA -0.644 57.177 58.200 -0.632 0.000 0.887 86 S CB 0.398 62.787 63.200 -1.352 0.000 1.095 86 S HN 0.955 nan 8.310 nan 0.000 0.476 87 S N 2.632 118.145 115.700 -0.311 0.000 2.588 87 S HA 0.646 4.760 4.470 -0.593 0.000 0.275 87 S C -0.871 173.674 174.600 -0.092 0.000 1.130 87 S CA -0.917 57.191 58.200 -0.154 0.000 0.855 87 S CB 0.615 63.762 63.200 -0.088 0.000 1.116 87 S HN 0.704 nan 8.310 nan 0.000 0.472 88 I N 2.461 123.002 120.570 -0.048 0.000 2.517 88 I HA 0.173 3.988 4.170 -0.593 0.000 0.285 88 I C 0.566 176.705 176.117 0.036 0.000 1.106 88 I CA -0.165 61.133 61.300 -0.003 0.000 1.402 88 I CB 0.223 38.206 38.000 -0.028 0.000 1.399 88 I HN 0.793 nan 8.210 nan 0.000 0.535 89 F N 7.280 127.193 119.950 -0.061 0.000 2.374 89 F HA 0.294 4.466 4.527 -0.593 0.000 0.291 89 F C 0.301 176.057 175.800 -0.073 0.000 1.084 89 F CA 0.280 58.245 58.000 -0.059 0.000 1.413 89 F CB 0.588 39.564 39.000 -0.040 0.000 1.099 89 F HN 0.308 nan 8.300 nan 0.000 0.534 90 L N 1.139 122.342 121.223 -0.034 0.000 2.516 90 L HA 0.331 4.315 4.340 -0.593 0.000 0.267 90 L C -1.072 175.721 176.870 -0.129 0.000 0.957 90 L CA -0.466 54.277 54.840 -0.162 0.000 0.860 90 L CB 1.670 43.614 42.059 -0.190 0.000 1.265 90 L HN -0.048 nan 8.230 nan 0.000 0.403 91 E N 1.988 122.098 120.200 -0.151 0.000 2.373 91 E HA 0.123 4.117 4.350 -0.593 0.000 0.267 91 E C 0.516 177.032 176.600 -0.140 0.000 1.032 91 E CA 0.078 56.415 56.400 -0.106 0.000 0.889 91 E CB 0.630 30.273 29.700 -0.094 0.000 0.984 91 E HN 0.671 nan 8.360 nan 0.000 0.425 92 N N 1.135 119.820 118.700 -0.025 0.000 2.519 92 N HA -0.158 4.226 4.740 -0.593 0.000 0.186 92 N C 0.879 176.378 175.510 -0.019 0.000 1.062 92 N CA 0.889 53.984 53.050 0.075 0.000 0.910 92 N CB -0.120 38.446 38.487 0.131 0.000 0.958 92 N HN 0.179 nan 8.380 nan 0.000 0.445 93 S N 0.070 115.723 115.700 -0.077 0.000 2.374 93 S HA -0.174 3.940 4.470 -0.593 0.000 0.227 93 S C 1.775 176.285 174.600 -0.151 0.000 1.037 93 S CA 1.799 59.946 58.200 -0.089 0.000 1.024 93 S CB -0.927 62.224 63.200 -0.082 0.000 0.861 93 S HN 0.520 nan 8.310 nan 0.000 0.456 94 T N 2.121 116.521 114.554 -0.257 0.000 2.665 94 T HA -0.112 3.882 4.350 -0.593 0.000 0.268 94 T C 1.419 175.843 174.700 -0.460 0.000 1.035 94 T CA 1.504 63.367 62.100 -0.395 0.000 1.151 94 T CB -0.583 67.922 68.868 -0.606 0.000 0.862 94 T HN 0.309 nan 8.240 nan 0.000 0.438 95 F N 1.952 121.712 119.950 -0.317 0.000 2.126 95 F HA -0.074 4.098 4.527 -0.592 0.000 0.299 95 F C 2.319 177.918 175.800 -0.336 0.000 1.096 95 F CA 0.711 58.477 58.000 -0.390 0.000 1.255 95 F CB -0.759 38.075 39.000 -0.276 0.000 0.997 95 F HN 0.142 nan 8.300 nan 0.000 0.479 96 D N -0.074 120.291 120.400 -0.059 0.000 2.218 96 D HA -0.141 4.144 4.640 -0.593 0.000 0.204 96 D C 1.828 178.040 176.300 -0.148 0.000 0.976 96 D CA 1.042 54.986 54.000 -0.094 0.000 0.853 96 D CB -0.367 40.394 40.800 -0.065 0.000 0.939 96 D HN 0.428 nan 8.370 nan 0.000 0.481 97 E N -0.144 119.952 120.200 -0.175 0.000 2.481 97 E HA 0.060 4.054 4.350 -0.593 0.000 0.195 97 E C 2.075 178.530 176.600 -0.241 0.000 1.047 97 E CA -0.194 56.104 56.400 -0.170 0.000 0.867 97 E CB 0.263 29.887 29.700 -0.127 0.000 0.858 97 E HN 0.254 nan 8.360 nan 0.000 0.513 98 L N -0.374 120.621 121.223 -0.380 0.000 2.027 98 L HA -0.061 3.924 4.340 -0.593 0.000 0.206 98 L C 1.559 178.012 176.870 -0.694 0.000 1.074 98 L CA 1.310 55.773 54.840 -0.629 0.000 0.745 98 L CB -0.275 41.182 42.059 -1.003 0.000 0.898 98 L HN 0.391 nan 8.230 nan 0.000 0.433 99 G N -1.114 107.347 108.800 -0.565 0.000 2.141 99 G HA2 -0.240 3.364 3.960 -0.593 0.000 0.195 99 G HA3 -0.240 3.364 3.960 -0.593 0.000 0.195 99 G C -0.339 174.405 174.900 -0.260 0.000 1.012 99 G CA -0.022 44.867 45.100 -0.351 0.000 0.696 99 G HN 0.437 nan 8.290 nan 0.000 0.508 100 Y N -2.667 117.533 120.300 -0.167 0.000 2.687 100 Y HA 0.694 4.889 4.550 -0.592 0.000 0.338 100 Y C -0.157 175.671 175.900 -0.121 0.000 1.189 100 Y CA -1.542 56.473 58.100 -0.142 0.000 1.097 100 Y CB 0.108 38.428 38.460 -0.234 0.000 1.342 100 Y HN 0.313 nan 8.280 nan 0.000 0.461 101 S N 1.349 117.168 115.700 0.199 0.000 2.488 101 S HA 0.315 4.429 4.470 -0.593 0.000 0.278 101 S C -0.233 174.468 174.600 0.168 0.000 1.259 101 S CA -0.337 57.918 58.200 0.092 0.000 1.061 101 S CB 0.293 63.515 63.200 0.036 0.000 0.910 101 S HN 0.585 nan 8.310 nan 0.000 0.491 102 T N 3.978 118.572 114.554 0.066 0.000 2.737 102 T HA 0.109 4.104 4.350 -0.593 0.000 0.296 102 T C 1.503 176.196 174.700 -0.012 0.000 0.922 102 T CA -0.474 61.680 62.100 0.091 0.000 1.079 102 T CB 0.265 69.106 68.868 -0.046 0.000 0.892 102 T HN 0.656 nan 8.240 nan 0.000 0.514 103 N N 2.616 121.329 118.700 0.021 0.000 2.333 103 N HA -0.050 4.335 4.740 -0.593 0.000 0.178 103 N C 0.041 175.507 175.510 -0.073 0.000 1.018 103 N CA 0.818 53.822 53.050 -0.077 0.000 0.882 103 N CB 0.444 38.862 38.487 -0.115 0.000 0.984 103 N HN 0.628 nan 8.380 nan 0.000 0.434 104 D N -1.971 118.452 120.400 0.038 0.000 2.755 104 D HA 0.228 4.512 4.640 -0.593 0.000 0.277 104 D C -1.712 174.735 176.300 0.245 0.000 1.261 104 D CA -0.453 53.556 54.000 0.014 0.000 0.759 104 D CB 0.553 41.340 40.800 -0.021 0.000 1.279 104 D HN 0.102 nan 8.370 nan 0.000 0.420 105 Y N -1.313 119.165 120.300 0.296 0.000 2.625 105 Y HA 0.789 4.984 4.550 -0.592 0.000 0.338 105 Y C -1.258 174.833 175.900 0.318 0.000 1.123 105 Y CA -1.097 57.237 58.100 0.391 0.000 1.046 105 Y CB 1.584 40.363 38.460 0.531 0.000 1.299 105 Y HN 0.197 nan 8.280 nan 0.000 0.464 106 S N 1.431 117.490 115.700 0.599 0.000 2.668 106 S HA 0.639 4.754 4.470 -0.593 0.000 0.277 106 S C -1.800 173.183 174.600 0.638 0.000 1.170 106 S CA -0.571 57.956 58.200 0.545 0.000 0.994 106 S CB 0.780 64.244 63.200 0.439 0.000 1.051 106 S HN 0.750 nan 8.310 nan 0.000 0.484 107 V N 4.940 125.118 119.914 0.440 0.000 2.546 107 V HA 0.444 4.209 4.120 -0.593 0.000 0.284 107 V C 0.861 176.850 176.094 -0.176 0.000 1.050 107 V CA -0.489 61.932 62.300 0.203 0.000 0.981 107 V CB 1.447 33.346 31.823 0.126 0.000 0.990 107 V HN 1.009 nan 8.190 nan 0.000 0.474 108 S N 6.271 121.548 115.700 -0.705 0.000 2.572 108 S HA 0.188 4.302 4.470 -0.593 0.000 0.279 108 S C -1.225 173.082 174.600 -0.489 0.000 1.341 108 S CA -0.791 56.597 58.200 -1.353 0.000 1.043 108 S CB 0.826 63.124 63.200 -1.503 0.000 0.887 108 S HN 0.662 nan 8.310 nan 0.000 0.516 109 P HA -0.166 nan 4.420 nan 0.000 0.217 109 P C 0.612 177.861 177.300 -0.085 0.000 1.148 109 P CA 1.583 64.609 63.100 -0.122 0.000 0.828 109 P CB -0.276 31.383 31.700 -0.068 0.000 0.783 110 D N -1.240 119.104 120.400 -0.094 0.000 2.328 110 D HA -0.042 4.243 4.640 -0.593 0.000 0.226 110 D C 0.631 176.923 176.300 -0.013 0.000 1.066 110 D CA -0.248 53.738 54.000 -0.024 0.000 0.861 110 D CB -0.671 40.145 40.800 0.026 0.000 0.912 110 D HN 0.009 nan 8.370 nan 0.000 0.521 111 R N -1.232 119.247 120.500 -0.036 0.000 3.953 111 R HA -0.242 3.743 4.340 -0.593 0.000 0.340 111 R C 0.969 177.261 176.300 -0.014 0.000 1.195 111 R CA 1.317 57.457 56.100 0.067 0.000 0.929 111 R CB -2.434 27.970 30.300 0.174 0.000 1.402 111 R HN 0.347 nan 8.270 nan 0.000 0.540 112 Q N -1.033 118.679 119.800 -0.148 0.000 2.354 112 Q HA 0.178 4.163 4.340 -0.593 0.000 0.203 112 Q C -0.224 175.296 176.000 -0.800 0.000 0.933 112 Q CA 0.719 56.255 55.803 -0.444 0.000 0.901 112 Q CB 0.440 28.900 28.738 -0.463 0.000 1.007 112 Q HN 0.203 nan 8.270 nan 0.000 0.495 113 F N -0.666 119.168 119.950 -0.194 0.000 2.613 113 F HA 0.542 4.713 4.527 -0.593 0.000 0.314 113 F C -0.709 175.081 175.800 -0.016 0.000 1.075 113 F CA -1.180 56.760 58.000 -0.100 0.000 0.945 113 F CB 1.812 40.791 39.000 -0.035 0.000 1.310 113 F HN -0.232 nan 8.300 nan 0.000 0.467 114 I N 2.236 123.009 120.570 0.338 0.000 2.656 114 I HA 0.492 4.306 4.170 -0.593 0.000 0.292 114 I C -1.971 174.241 176.117 0.159 0.000 1.144 114 I CA -0.963 60.483 61.300 0.244 0.000 1.038 114 I CB 1.644 39.655 38.000 0.018 0.000 1.244 114 I HN 0.473 nan 8.210 nan 0.000 0.420 115 L N 7.776 129.204 121.223 0.342 0.000 2.292 115 L HA 0.512 4.496 4.340 -0.593 0.000 0.284 115 L C -1.325 175.695 176.870 0.251 0.000 1.065 115 L CA 0.290 55.278 54.840 0.246 0.000 0.806 115 L CB 0.962 43.153 42.059 0.220 0.000 1.175 115 L HN 0.378 nan 8.230 nan 0.000 0.431 116 F N 3.305 123.530 119.950 0.457 0.000 2.426 116 F HA 0.365 4.536 4.527 -0.593 0.000 0.348 116 F C 0.346 176.342 175.800 0.325 0.000 1.124 116 F CA -0.759 57.508 58.000 0.444 0.000 1.008 116 F CB 1.483 40.767 39.000 0.472 0.000 1.139 116 F HN 0.437 nan 8.300 nan 0.000 0.452 117 E N 4.955 125.379 120.200 0.373 0.000 2.146 117 E HA 0.320 4.315 4.350 -0.593 0.000 0.282 117 E C -1.527 175.057 176.600 -0.027 0.000 0.989 117 E CA -0.518 55.804 56.400 -0.129 0.000 0.799 117 E CB 0.977 30.640 29.700 -0.062 0.000 1.088 117 E HN 0.572 nan 8.360 nan 0.000 0.397 118 Y N 1.650 121.704 120.300 -0.411 0.000 2.677 118 Y HA 0.447 4.642 4.550 -0.592 0.000 0.334 118 Y C -0.174 175.557 175.900 -0.281 0.000 1.154 118 Y CA -1.718 56.165 58.100 -0.362 0.000 1.070 118 Y CB 0.543 38.545 38.460 -0.763 0.000 1.294 118 Y HN 0.491 nan 8.280 nan 0.000 0.475 119 N N -0.162 118.473 118.700 -0.107 0.000 2.740 119 N HA -0.298 4.086 4.740 -0.593 0.000 0.248 119 N C -1.118 174.334 175.510 -0.097 0.000 1.062 119 N CA 0.947 53.923 53.050 -0.124 0.000 0.704 119 N CB -1.487 36.840 38.487 -0.267 0.000 0.968 119 N HN 0.882 nan 8.380 nan 0.000 0.547 120 Y N 0.052 120.249 120.300 -0.172 0.000 2.544 120 Y HA 0.283 4.477 4.550 -0.594 0.000 0.330 120 Y C 0.149 175.984 175.900 -0.108 0.000 1.136 120 Y CA -0.004 57.992 58.100 -0.173 0.000 1.417 120 Y CB 0.726 39.035 38.460 -0.251 0.000 1.229 120 Y HN -0.006 nan 8.280 nan 0.000 0.532 121 V N 8.083 127.756 119.914 -0.401 0.000 2.419 121 V HA 0.178 3.942 4.120 -0.593 0.000 0.287 121 V C -0.323 175.510 176.094 -0.434 0.000 1.017 121 V CA -1.334 60.813 62.300 -0.255 0.000 0.844 121 V CB 1.260 32.994 31.823 -0.149 0.000 1.011 121 V HN 0.762 nan 8.190 nan 0.000 0.429 122 K N 4.007 124.227 120.400 -0.300 0.000 2.355 122 K HA 0.237 4.201 4.320 -0.593 0.000 0.270 122 K C 0.332 176.797 176.600 -0.224 0.000 1.003 122 K CA 0.234 56.406 56.287 -0.191 0.000 0.957 122 K CB 1.321 33.883 32.500 0.103 0.000 0.939 122 K HN 0.793 nan 8.250 nan 0.000 0.482 123 Q N 2.474 122.093 119.800 -0.302 0.000 2.653 123 Q HA 0.187 4.172 4.340 -0.593 0.000 0.212 123 Q C -0.092 175.636 176.000 -0.454 0.000 0.951 123 Q CA -0.486 54.927 55.803 -0.650 0.000 0.535 123 Q CB 0.159 28.325 28.738 -0.953 0.000 3.737 123 Q HN 0.741 nan 8.270 nan 0.000 0.401 124 W N 0.332 121.614 121.300 -0.030 0.000 1.945 124 W HA 0.396 4.698 4.660 -0.597 0.000 0.606 124 W C 1.773 178.263 176.519 -0.049 0.000 1.803 124 W CA -0.726 56.628 57.345 0.014 0.000 1.990 124 W CB -0.122 29.312 29.460 -0.044 0.000 2.848 124 W HN 0.297 nan 8.180 nan 0.000 0.771 125 R N -0.524 120.055 120.500 0.132 0.000 2.096 125 R HA -0.162 3.822 4.340 -0.593 0.000 0.235 125 R C 1.649 177.779 176.300 -0.283 0.000 1.127 125 R CA 1.810 57.818 56.100 -0.154 0.000 0.968 125 R CB -0.391 29.678 30.300 -0.384 0.000 0.861 125 R HN 0.518 nan 8.270 nan 0.000 0.440 126 H N -1.446 117.677 119.070 0.089 0.000 2.927 126 H HA 0.152 4.354 4.556 -0.591 0.000 0.255 126 H C 0.642 176.031 175.328 0.102 0.000 0.974 126 H CA 0.455 56.580 56.048 0.129 0.000 1.199 126 H CB 0.346 30.169 29.762 0.100 0.000 1.447 126 H HN 0.144 nan 8.280 nan 0.000 0.467 127 S N 1.175 116.832 115.700 -0.071 0.000 2.592 127 S HA 0.414 4.529 4.470 -0.593 0.000 0.271 127 S C -0.308 174.127 174.600 -0.276 0.000 1.326 127 S CA -0.463 57.402 58.200 -0.558 0.000 1.024 127 S CB 0.973 63.269 63.200 -1.507 0.000 0.921 127 S HN 0.442 nan 8.310 nan 0.000 0.527 128 Y N -2.293 117.801 120.300 -0.345 0.000 2.814 128 Y HA 0.666 4.860 4.550 -0.594 0.000 0.348 128 Y C -0.869 174.918 175.900 -0.187 0.000 1.245 128 Y CA -0.843 57.027 58.100 -0.383 0.000 1.086 128 Y CB 0.510 38.579 38.460 -0.652 0.000 1.373 128 Y HN 0.917 nan 8.280 nan 0.000 0.451 129 T N -0.186 114.379 114.554 0.018 0.000 2.916 129 T HA 1.018 5.013 4.350 -0.593 0.000 0.292 129 T C -0.607 174.144 174.700 0.085 0.000 1.055 129 T CA -0.154 61.986 62.100 0.067 0.000 1.009 129 T CB 1.820 70.690 68.868 0.003 0.000 1.118 129 T HN 1.887 nan 8.240 nan 0.000 0.497 130 A N 0.889 123.757 122.820 0.080 0.000 2.581 130 A HA 0.817 4.781 4.320 -0.593 0.000 0.290 130 A C -0.589 176.820 177.584 -0.292 0.000 1.119 130 A CA -0.964 50.976 52.037 -0.162 0.000 0.670 130 A CB 1.162 20.003 19.000 -0.265 0.000 1.280 130 A HN 0.869 nan 8.150 nan 0.000 0.425 131 S N -0.763 114.519 115.700 -0.696 0.000 2.593 131 S HA 0.810 4.925 4.470 -0.593 0.000 0.297 131 S C -1.584 172.430 174.600 -0.977 0.000 1.112 131 S CA -0.066 57.663 58.200 -0.786 0.000 1.043 131 S CB 0.694 63.132 63.200 -1.271 0.000 1.054 131 S HN 0.446 nan 8.310 nan 0.000 0.516 132 Y N 0.161 120.257 120.300 -0.340 0.000 2.470 132 Y HA 0.418 4.612 4.550 -0.593 0.000 0.341 132 Y C -0.371 175.622 175.900 0.156 0.000 1.021 132 Y CA -0.980 57.096 58.100 -0.039 0.000 1.025 132 Y CB 1.577 39.967 38.460 -0.118 0.000 1.266 132 Y HN 0.491 nan 8.280 nan 0.000 0.448 133 D N 2.581 123.285 120.400 0.507 0.000 2.269 133 D HA 0.559 4.843 4.640 -0.593 0.000 0.244 133 D C -0.676 175.835 176.300 0.352 0.000 0.992 133 D CA -0.282 53.982 54.000 0.440 0.000 0.894 133 D CB 2.350 43.498 40.800 0.580 0.000 1.248 133 D HN 0.402 nan 8.370 nan 0.000 0.468 134 I N 1.705 122.430 120.570 0.259 0.000 2.404 134 I HA 0.253 4.067 4.170 -0.593 0.000 0.293 134 I C -0.938 175.371 176.117 0.321 0.000 0.992 134 I CA -0.965 60.474 61.300 0.231 0.000 1.149 134 I CB 1.444 39.519 38.000 0.125 0.000 1.315 134 I HN 0.231 nan 8.210 nan 0.000 0.446 135 Y N 5.467 125.843 120.300 0.126 0.000 2.350 135 Y HA 0.290 4.485 4.550 -0.592 0.000 0.338 135 Y C -0.302 175.679 175.900 0.136 0.000 0.961 135 Y CA -0.766 57.400 58.100 0.109 0.000 1.100 135 Y CB 1.257 39.712 38.460 -0.008 0.000 1.179 135 Y HN 0.489 nan 8.280 nan 0.000 0.454 136 D N 6.441 126.685 120.400 -0.261 0.000 2.338 136 D HA 0.076 4.360 4.640 -0.593 0.000 0.255 136 D C 0.702 176.622 176.300 -0.632 0.000 1.237 136 D CA 0.391 54.148 54.000 -0.405 0.000 0.883 136 D CB 1.000 41.628 40.800 -0.286 0.000 1.087 136 D HN 0.892 nan 8.370 nan 0.000 0.485 137 L N 3.701 124.635 121.223 -0.481 0.000 2.217 137 L HA -0.104 3.881 4.340 -0.593 0.000 0.211 137 L C 2.064 178.724 176.870 -0.350 0.000 1.107 137 L CA 0.355 54.990 54.840 -0.342 0.000 0.783 137 L CB -0.191 41.684 42.059 -0.308 0.000 0.919 137 L HN 0.385 nan 8.230 nan 0.000 0.442 138 N N 1.354 119.818 118.700 -0.393 0.000 2.092 138 N HA -0.149 4.235 4.740 -0.593 0.000 0.189 138 N C 1.391 176.754 175.510 -0.246 0.000 1.040 138 N CA 1.309 54.183 53.050 -0.294 0.000 0.845 138 N CB -0.146 38.167 38.487 -0.291 0.000 1.017 138 N HN 0.464 nan 8.380 nan 0.000 0.426 139 K N 1.283 121.522 120.400 -0.269 0.000 2.469 139 K HA 0.235 4.200 4.320 -0.593 0.000 0.201 139 K C -0.270 176.177 176.600 -0.255 0.000 1.028 139 K CA -0.262 55.896 56.287 -0.214 0.000 1.170 139 K CB 0.124 32.520 32.500 -0.173 0.000 0.874 139 K HN -0.040 nan 8.250 nan 0.000 0.507 140 R N 1.752 122.048 120.500 -0.340 0.000 3.013 140 R HA -0.227 3.758 4.340 -0.593 0.000 0.232 140 R C -0.843 175.202 176.300 -0.425 0.000 0.854 140 R CA 0.885 56.747 56.100 -0.397 0.000 0.580 140 R CB -1.733 28.501 30.300 -0.110 0.000 1.030 140 R HN 0.613 nan 8.270 nan 0.000 0.489 141 Q N -0.113 119.324 119.800 -0.605 0.000 2.484 141 Q HA 0.524 4.508 4.340 -0.593 0.000 0.285 141 Q C -0.703 175.095 176.000 -0.337 0.000 1.097 141 Q CA -1.110 54.503 55.803 -0.317 0.000 0.802 141 Q CB 2.356 30.999 28.738 -0.158 0.000 1.444 141 Q HN 0.218 nan 8.270 nan 0.000 0.429 142 L N 2.139 123.362 121.223 -0.000 0.000 2.264 142 L HA 0.359 4.344 4.340 -0.593 0.000 0.289 142 L C -0.819 176.115 176.870 0.107 0.000 1.044 142 L CA -0.744 54.197 54.840 0.170 0.000 0.807 142 L CB 0.691 42.912 42.059 0.270 0.000 1.192 142 L HN 0.562 nan 8.230 nan 0.000 0.425 143 I N 3.560 124.206 120.570 0.126 0.000 2.683 143 I HA -0.048 3.766 4.170 -0.593 0.000 0.286 143 I C 1.339 177.508 176.117 0.085 0.000 1.175 143 I CA 0.877 62.231 61.300 0.090 0.000 1.429 143 I CB 1.241 39.290 38.000 0.082 0.000 1.371 143 I HN 0.685 nan 8.210 nan 0.000 0.569 144 T N 1.043 115.630 114.554 0.055 0.000 3.043 144 T HA 0.317 4.312 4.350 -0.593 0.000 0.272 144 T C 0.392 175.105 174.700 0.023 0.000 0.990 144 T CA -0.393 61.736 62.100 0.048 0.000 0.897 144 T CB 0.100 68.994 68.868 0.044 0.000 1.111 144 T HN 0.351 nan 8.240 nan 0.000 0.529 145 E N 2.219 122.426 120.200 0.013 0.000 2.191 145 E HA 0.336 4.331 4.350 -0.593 0.000 0.274 145 E C -0.163 176.426 176.600 -0.018 0.000 0.948 145 E CA -0.425 55.974 56.400 -0.002 0.000 0.802 145 E CB 0.936 30.637 29.700 0.002 0.000 1.137 145 E HN 0.181 nan 8.360 nan 0.000 0.397 146 E N 1.149 121.329 120.200 -0.033 0.000 2.228 146 E HA -0.247 3.747 4.350 -0.593 0.000 0.213 146 E C -0.373 176.178 176.600 -0.082 0.000 1.282 146 E CA 0.692 57.058 56.400 -0.056 0.000 0.707 146 E CB -1.248 28.429 29.700 -0.037 0.000 1.150 146 E HN 0.423 nan 8.360 nan 0.000 0.362 147 R N -0.185 120.264 120.500 -0.086 0.000 2.694 147 R HA 0.288 4.272 4.340 -0.593 0.000 0.268 147 R C 1.163 177.336 176.300 -0.212 0.000 1.061 147 R CA -0.432 55.609 56.100 -0.098 0.000 1.133 147 R CB 0.471 30.744 30.300 -0.045 0.000 1.020 147 R HN 0.148 nan 8.270 nan 0.000 0.475 148 I N 4.601 125.018 120.570 -0.254 0.000 2.618 148 I HA 0.014 3.829 4.170 -0.593 0.000 0.284 148 I C -1.356 174.501 176.117 -0.433 0.000 1.146 148 I CA -1.316 59.687 61.300 -0.495 0.000 1.425 148 I CB 0.544 38.252 38.000 -0.486 0.000 1.383 148 I HN 0.352 nan 8.210 nan 0.000 0.562 149 P HA 0.069 nan 4.420 nan 0.000 0.271 149 P C -1.027 176.108 177.300 -0.274 0.000 1.233 149 P CA -0.327 62.450 63.100 -0.538 0.000 0.789 149 P CB 0.555 31.596 31.700 -1.099 0.000 0.951 150 N N 0.969 119.590 118.700 -0.133 0.000 2.424 150 N HA 0.083 4.468 4.740 -0.593 0.000 0.257 150 N C 0.488 176.077 175.510 0.132 0.000 1.250 150 N CA -0.090 52.935 53.050 -0.042 0.000 0.946 150 N CB -0.298 38.172 38.487 -0.029 0.000 1.175 150 N HN 0.382 nan 8.380 nan 0.000 0.477 151 N N -1.660 117.090 118.700 0.084 0.000 2.747 151 N HA -0.175 4.209 4.740 -0.593 0.000 0.249 151 N C -0.995 174.667 175.510 0.253 0.000 1.107 151 N CA 0.751 53.880 53.050 0.133 0.000 0.707 151 N CB -1.788 36.777 38.487 0.129 0.000 1.054 151 N HN 0.491 nan 8.380 nan 0.000 0.555 152 T N 0.754 115.460 114.554 0.253 0.000 2.901 152 T HA 0.118 4.112 4.350 -0.593 0.000 0.301 152 T C 1.710 176.549 174.700 0.231 0.000 1.012 152 T CA 0.095 62.364 62.100 0.283 0.000 1.135 152 T CB 1.193 70.138 68.868 0.128 0.000 0.936 152 T HN 0.173 nan 8.240 nan 0.000 0.539 153 Q N 1.652 121.585 119.800 0.221 0.000 2.339 153 Q HA 0.167 4.152 4.340 -0.593 0.000 0.205 153 Q C 0.158 176.307 176.000 0.248 0.000 0.925 153 Q CA 0.360 56.303 55.803 0.234 0.000 0.898 153 Q CB 0.825 29.686 28.738 0.204 0.000 1.013 153 Q HN 0.700 nan 8.270 nan 0.000 0.504 154 W N -0.192 121.071 121.300 -0.062 0.000 3.419 154 W HA 0.564 4.868 4.660 -0.593 0.000 0.298 154 W C -2.349 174.094 176.519 -0.126 0.000 1.260 154 W CA -0.731 56.534 57.345 -0.134 0.000 1.199 154 W CB 1.163 30.482 29.460 -0.235 0.000 1.349 154 W HN -0.087 nan 8.180 nan 0.000 0.557 155 I N 3.845 123.665 120.570 -1.249 0.000 2.787 155 I HA 0.562 4.376 4.170 -0.593 0.000 0.294 155 I C -1.712 173.794 176.117 -1.019 0.000 1.365 155 I CA -0.003 60.753 61.300 -0.907 0.000 1.029 155 I CB 2.518 39.959 38.000 -0.931 0.000 1.313 155 I HN 0.362 nan 8.210 nan 0.000 0.431 156 T N 4.753 119.025 114.554 -0.470 0.000 3.012 156 T HA 0.431 4.426 4.350 -0.593 0.000 0.330 156 T C -1.526 173.170 174.700 -0.006 0.000 1.321 156 T CA -0.268 61.717 62.100 -0.193 0.000 1.067 156 T CB 0.636 69.604 68.868 0.166 0.000 1.235 156 T HN 0.539 nan 8.240 nan 0.000 0.479 157 W N 2.911 124.247 121.300 0.058 0.000 2.093 157 W HA 0.444 4.749 4.660 -0.592 0.000 0.352 157 W C 1.340 177.761 176.519 -0.163 0.000 1.294 157 W CA -0.435 56.904 57.345 -0.010 0.000 1.290 157 W CB 0.533 29.989 29.460 -0.007 0.000 1.149 157 W HN 0.804 nan 8.180 nan 0.000 0.606 158 S N 0.803 116.325 115.700 -0.297 0.000 2.608 158 S HA 0.169 4.283 4.470 -0.593 0.000 0.261 158 S C -1.910 172.471 174.600 -0.366 0.000 1.314 158 S CA -0.948 56.559 58.200 -1.154 0.000 0.992 158 S CB 0.652 62.988 63.200 -1.441 0.000 0.935 158 S HN 0.269 nan 8.310 nan 0.000 0.564 159 P HA 0.101 nan 4.420 nan 0.000 0.229 159 P C 0.057 177.319 177.300 -0.064 0.000 1.160 159 P CA 0.488 63.556 63.100 -0.053 0.000 0.777 159 P CB -0.121 31.587 31.700 0.013 0.000 0.814 160 V N -6.570 113.258 119.914 -0.144 0.000 3.130 160 V HA 0.897 4.662 4.120 -0.593 0.000 0.310 160 V C 0.472 176.459 176.094 -0.179 0.000 1.158 160 V CA -0.390 61.839 62.300 -0.118 0.000 1.029 160 V CB 1.024 32.786 31.823 -0.101 0.000 1.057 160 V HN 0.356 nan 8.190 nan 0.000 0.436 161 G N 1.749 110.457 108.800 -0.153 0.000 2.528 161 G HA2 -0.168 3.436 3.960 -0.593 0.000 0.262 161 G HA3 -0.168 3.436 3.960 -0.593 0.000 0.262 161 G C 0.187 174.978 174.900 -0.183 0.000 1.200 161 G CA 0.815 45.782 45.100 -0.222 0.000 0.951 161 G HN 2.585 nan 8.290 nan 0.000 0.566 162 H N -0.666 118.378 119.070 -0.044 0.000 3.064 162 H HA 0.409 4.610 4.556 -0.593 0.000 0.232 162 H C 0.138 175.620 175.328 0.258 0.000 1.308 162 H CA -0.223 55.847 56.048 0.037 0.000 1.010 162 H CB -0.211 29.555 29.762 0.006 0.000 2.408 162 H HN 0.502 nan 8.280 nan 0.000 0.599 163 K N 1.668 122.092 120.400 0.039 0.000 2.154 163 K HA 0.500 4.464 4.320 -0.593 0.000 0.264 163 K C -0.392 176.308 176.600 0.167 0.000 1.008 163 K CA -0.504 55.810 56.287 0.044 0.000 0.937 163 K CB 1.909 34.283 32.500 -0.210 0.000 1.002 163 K HN 0.139 nan 8.250 nan 0.000 0.469 164 L N 1.013 122.350 121.223 0.190 0.000 2.370 164 L HA 0.601 4.586 4.340 -0.593 0.000 0.266 164 L C -0.853 176.200 176.870 0.305 0.000 1.002 164 L CA -0.856 54.053 54.840 0.116 0.000 0.818 164 L CB 2.130 44.097 42.059 -0.153 0.000 1.325 164 L HN 0.694 nan 8.230 nan 0.000 0.418 165 A N 2.299 125.292 122.820 0.289 0.000 2.374 165 A HA 0.816 4.781 4.320 -0.593 0.000 0.305 165 A C -1.618 175.989 177.584 0.037 0.000 1.053 165 A CA -0.387 51.715 52.037 0.108 0.000 0.726 165 A CB 1.173 20.161 19.000 -0.020 0.000 1.229 165 A HN 0.646 nan 8.150 nan 0.000 0.431 166 Y N -0.474 119.784 120.300 -0.069 0.000 2.588 166 Y HA 0.777 4.971 4.550 -0.593 0.000 0.343 166 Y C -1.215 174.702 175.900 0.029 0.000 1.065 166 Y CA -1.617 56.425 58.100 -0.097 0.000 1.038 166 Y CB 1.120 39.455 38.460 -0.208 0.000 1.297 166 Y HN 0.394 nan 8.280 nan 0.000 0.467 167 V N 2.179 122.239 119.914 0.243 0.000 2.459 167 V HA 0.382 4.147 4.120 -0.593 0.000 0.295 167 V C -1.415 174.910 176.094 0.385 0.000 1.029 167 V CA -0.601 61.822 62.300 0.206 0.000 0.874 167 V CB 1.297 33.158 31.823 0.063 0.000 0.985 167 V HN 0.881 nan 8.190 nan 0.000 0.438 168 W N 4.985 126.395 121.300 0.183 0.000 3.097 168 W HA 0.454 4.760 4.660 -0.591 0.000 0.335 168 W C 0.259 176.838 176.519 0.099 0.000 1.114 168 W CA -0.648 56.773 57.345 0.126 0.000 1.231 168 W CB 1.238 30.746 29.460 0.080 0.000 1.388 168 W HN 0.774 nan 8.180 nan 0.000 0.485 169 N N 5.493 123.833 118.700 -0.601 0.000 2.727 169 N HA -0.351 4.033 4.740 -0.593 0.000 0.249 169 N C 0.103 175.451 175.510 -0.270 0.000 1.048 169 N CA 1.122 53.808 53.050 -0.606 0.000 0.714 169 N CB -1.125 36.768 38.487 -0.990 0.000 0.959 169 N HN 0.884 nan 8.380 nan 0.000 0.544 170 N N -1.528 117.081 118.700 -0.152 0.000 2.800 170 N HA -0.170 4.214 4.740 -0.593 0.000 0.250 170 N C -1.352 174.087 175.510 -0.120 0.000 1.078 170 N CA 1.052 54.032 53.050 -0.117 0.000 0.804 170 N CB -0.291 38.073 38.487 -0.205 0.000 1.135 170 N HN 0.428 nan 8.380 nan 0.000 0.565 171 D N 0.299 120.644 120.400 -0.091 0.000 2.527 171 D HA 0.485 4.769 4.640 -0.593 0.000 0.233 171 D C 0.083 176.228 176.300 -0.258 0.000 1.063 171 D CA -0.394 53.465 54.000 -0.235 0.000 0.880 171 D CB 1.706 42.325 40.800 -0.303 0.000 1.457 171 D HN 0.006 nan 8.370 nan 0.000 0.475 172 I N 1.339 121.572 120.570 -0.562 0.000 2.440 172 I HA 0.275 4.090 4.170 -0.593 0.000 0.294 172 I C -0.757 174.821 176.117 -0.899 0.000 0.995 172 I CA -0.456 60.495 61.300 -0.582 0.000 1.306 172 I CB 0.659 38.249 38.000 -0.683 0.000 1.407 172 I HN 0.175 nan 8.210 nan 0.000 0.501 173 Y N 3.565 123.446 120.300 -0.699 0.000 2.524 173 Y HA 0.591 4.785 4.550 -0.593 0.000 0.347 173 Y C -0.459 175.042 175.900 -0.664 0.000 1.005 173 Y CA -0.894 56.740 58.100 -0.777 0.000 1.025 173 Y CB 2.059 39.804 38.460 -1.191 0.000 1.275 173 Y HN 0.094 nan 8.280 nan 0.000 0.460 174 V N 2.906 122.677 119.914 -0.238 0.000 2.588 174 V HA 0.474 4.238 4.120 -0.593 0.000 0.304 174 V C -0.892 175.225 176.094 0.039 0.000 1.042 174 V CA -1.360 60.900 62.300 -0.067 0.000 0.877 174 V CB 1.992 33.800 31.823 -0.025 0.000 0.996 174 V HN 0.614 nan 8.190 nan 0.000 0.425 175 K N 3.345 123.813 120.400 0.113 0.000 2.425 175 K HA 0.430 4.394 4.320 -0.593 0.000 0.259 175 K C 0.591 177.260 176.600 0.115 0.000 0.978 175 K CA -0.255 56.096 56.287 0.107 0.000 0.883 175 K CB 1.271 33.831 32.500 0.100 0.000 1.110 175 K HN 0.620 nan 8.250 nan 0.000 0.436 176 N N 1.556 120.315 118.700 0.099 0.000 2.309 176 N HA -0.093 4.291 4.740 -0.593 0.000 0.182 176 N C -0.319 175.264 175.510 0.123 0.000 1.018 176 N CA 0.835 53.943 53.050 0.097 0.000 0.876 176 N CB 0.367 38.899 38.487 0.075 0.000 0.972 176 N HN 0.456 nan 8.380 nan 0.000 0.434 177 E N -0.987 119.269 120.200 0.093 0.000 2.314 177 E HA 0.181 4.175 4.350 -0.593 0.000 0.272 177 E C -2.068 174.493 176.600 -0.065 0.000 0.884 177 E CA -1.836 54.600 56.400 0.060 0.000 0.753 177 E CB 1.974 31.710 29.700 0.060 0.000 1.213 177 E HN -0.190 nan 8.360 nan 0.000 0.432 178 P HA -0.165 nan 4.420 nan 0.000 0.217 178 P C 0.830 178.054 177.300 -0.127 0.000 1.148 178 P CA 1.387 64.322 63.100 -0.275 0.000 0.828 178 P CB 0.279 31.603 31.700 -0.626 0.000 0.783 179 N N -1.582 117.066 118.700 -0.087 0.000 2.336 179 N HA -0.010 4.374 4.740 -0.593 0.000 0.189 179 N C 0.153 175.657 175.510 -0.010 0.000 1.113 179 N CA 0.467 53.502 53.050 -0.026 0.000 0.858 179 N CB -0.293 38.196 38.487 0.004 0.000 0.970 179 N HN 0.081 nan 8.380 nan 0.000 0.471 180 L N 0.745 121.964 121.223 -0.007 0.000 2.344 180 L HA 0.318 4.302 4.340 -0.593 0.000 0.272 180 L C 0.622 177.499 176.870 0.012 0.000 1.035 180 L CA -0.524 54.323 54.840 0.011 0.000 0.807 180 L CB 1.486 43.561 42.059 0.027 0.000 1.237 180 L HN 0.052 nan 8.230 nan 0.000 0.442 181 S N 1.091 116.801 115.700 0.017 0.000 2.562 181 S HA 0.150 4.264 4.470 -0.593 0.000 0.281 181 S C 0.423 175.047 174.600 0.040 0.000 1.333 181 S CA -0.547 57.664 58.200 0.018 0.000 1.052 181 S CB 0.412 63.623 63.200 0.019 0.000 0.884 181 S HN 0.685 nan 8.310 nan 0.000 0.506 182 S N 3.701 119.434 115.700 0.056 0.000 2.603 182 S HA 0.383 4.498 4.470 -0.593 0.000 0.268 182 S C -0.420 174.229 174.600 0.081 0.000 1.317 182 S CA -0.639 57.613 58.200 0.087 0.000 1.012 182 S CB 0.776 64.067 63.200 0.152 0.000 0.926 182 S HN 0.774 nan 8.310 nan 0.000 0.539 183 Q N 0.696 120.519 119.800 0.039 0.000 2.325 183 Q HA 0.386 4.370 4.340 -0.593 0.000 0.262 183 Q C -0.384 175.519 176.000 -0.162 0.000 0.968 183 Q CA -0.299 55.497 55.803 -0.011 0.000 0.877 183 Q CB 1.285 30.018 28.738 -0.010 0.000 1.253 183 Q HN 0.706 nan 8.270 nan 0.000 0.448 184 R N 3.795 124.136 120.500 -0.264 0.000 2.491 184 R HA 0.116 4.101 4.340 -0.593 0.000 0.283 184 R C 0.178 175.964 176.300 -0.857 0.000 1.072 184 R CA 0.061 55.666 56.100 -0.825 0.000 1.048 184 R CB 0.435 30.209 30.300 -0.875 0.000 0.983 184 R HN 0.704 nan 8.270 nan 0.000 0.450 185 I N 1.937 121.913 120.570 -0.990 0.000 3.616 185 I HA 0.018 3.833 4.170 -0.593 0.000 0.296 185 I C 0.924 176.601 176.117 -0.735 0.000 1.226 185 I CA 0.747 61.637 61.300 -0.684 0.000 1.394 185 I CB -0.385 37.252 38.000 -0.605 0.000 1.171 185 I HN 0.672 nan 8.210 nan 0.000 0.442 186 T N -3.829 110.127 114.554 -0.997 0.000 2.907 186 T HA 0.407 4.402 4.350 -0.593 0.000 0.292 186 T C -0.185 174.083 174.700 -0.720 0.000 1.043 186 T CA -0.519 61.209 62.100 -0.619 0.000 1.003 186 T CB 2.247 70.793 68.868 -0.537 0.000 1.084 186 T HN 0.219 nan 8.240 nan 0.000 0.483 187 W N 0.519 121.700 121.300 -0.199 0.000 2.534 187 W HA 0.114 4.419 4.660 -0.592 0.000 0.339 187 W C 1.592 178.052 176.519 -0.098 0.000 0.961 187 W CA 0.117 57.385 57.345 -0.129 0.000 1.545 187 W CB 0.459 29.862 29.460 -0.094 0.000 1.104 187 W HN 0.945 nan 8.180 nan 0.000 0.538 188 T N -2.051 112.541 114.554 0.063 0.000 3.100 188 T HA 0.158 4.153 4.350 -0.593 0.000 0.253 188 T C 1.248 175.932 174.700 -0.027 0.000 1.118 188 T CA 0.293 62.410 62.100 0.029 0.000 1.058 188 T CB -0.044 68.842 68.868 0.030 0.000 0.953 188 T HN -0.038 nan 8.240 nan 0.000 0.515 189 G N 1.282 110.034 108.800 -0.080 0.000 2.224 189 G HA2 0.312 3.916 3.960 -0.593 0.000 0.239 189 G HA3 0.312 3.916 3.960 -0.593 0.000 0.239 189 G C -0.560 174.268 174.900 -0.121 0.000 1.240 189 G CA -0.362 44.668 45.100 -0.118 0.000 0.896 189 G HN 0.578 nan 8.290 nan 0.000 0.496 190 K N 2.060 122.358 120.400 -0.171 0.000 2.616 190 K HA 0.137 4.102 4.320 -0.593 0.000 0.255 190 K C -0.263 176.189 176.600 -0.247 0.000 0.995 190 K CA -0.642 55.547 56.287 -0.163 0.000 0.860 190 K CB 1.454 33.897 32.500 -0.094 0.000 1.264 190 K HN 0.654 nan 8.250 nan 0.000 0.451 191 E N 3.623 123.694 120.200 -0.215 0.000 2.820 191 E HA -0.191 3.803 4.350 -0.593 0.000 0.251 191 E C -0.335 176.168 176.600 -0.162 0.000 0.944 191 E CA 1.261 57.538 56.400 -0.205 0.000 0.955 191 E CB -0.057 29.563 29.700 -0.134 0.000 0.904 191 E HN 0.798 nan 8.360 nan 0.000 0.513 192 N N 1.623 120.218 118.700 -0.175 0.000 2.863 192 N HA -0.262 4.123 4.740 -0.593 0.000 0.245 192 N C 0.114 175.650 175.510 0.044 0.000 1.001 192 N CA 0.535 53.600 53.050 0.025 0.000 0.901 192 N CB -0.457 38.065 38.487 0.058 0.000 1.124 192 N HN 0.303 nan 8.380 nan 0.000 0.582 193 V N -0.807 119.041 119.914 -0.111 0.000 3.279 193 V HA 0.278 4.043 4.120 -0.593 0.000 0.213 193 V C 0.176 176.309 176.094 0.066 0.000 1.335 193 V CA 0.428 62.744 62.300 0.026 0.000 1.317 193 V CB 0.749 32.572 31.823 0.000 0.000 1.209 193 V HN 0.088 nan 8.190 nan 0.000 0.525 194 I N 0.985 121.494 120.570 -0.101 0.000 2.406 194 I HA 0.470 4.284 4.170 -0.593 0.000 0.290 194 I C -1.518 174.534 176.117 -0.108 0.000 0.999 194 I CA -0.511 60.799 61.300 0.017 0.000 1.124 194 I CB 1.200 39.205 38.000 0.008 0.000 1.289 194 I HN 0.230 nan 8.210 nan 0.000 0.441 195 Y N 4.515 124.886 120.300 0.120 0.000 2.326 195 Y HA 0.411 4.604 4.550 -0.594 0.000 0.331 195 Y C 0.291 176.248 175.900 0.094 0.000 0.962 195 Y CA -0.811 57.362 58.100 0.122 0.000 1.167 195 Y CB 1.271 39.861 38.460 0.217 0.000 1.148 195 Y HN 0.413 nan 8.280 nan 0.000 0.463 196 N N 2.079 120.846 118.700 0.111 0.000 2.417 196 N HA 0.387 4.772 4.740 -0.593 0.000 0.274 196 N C 0.777 176.243 175.510 -0.075 0.000 0.987 196 N CA 0.390 53.440 53.050 0.000 0.000 0.912 196 N CB 1.940 40.305 38.487 -0.204 0.000 1.177 196 N HN 0.987 nan 8.380 nan 0.000 0.490 197 G N 0.484 109.274 108.800 -0.017 0.000 2.225 197 G HA2 -0.279 3.326 3.960 -0.593 0.000 0.254 197 G HA3 -0.279 3.326 3.960 -0.593 0.000 0.254 197 G C 0.020 174.800 174.900 -0.200 0.000 0.988 197 G CA 0.685 45.706 45.100 -0.132 0.000 0.625 197 G HN 0.694 nan 8.290 nan 0.000 0.527 198 V N -1.947 117.895 119.914 -0.120 0.000 3.078 198 V HA 0.937 4.702 4.120 -0.593 0.000 0.311 198 V C 0.308 176.368 176.094 -0.057 0.000 1.138 198 V CA 0.009 62.103 62.300 -0.345 0.000 1.007 198 V CB 1.472 32.779 31.823 -0.861 0.000 1.045 198 V HN 1.170 nan 8.190 nan 0.000 0.432 199 T N -0.151 114.280 114.554 -0.206 0.000 2.899 199 T HA 0.484 4.479 4.350 -0.593 0.000 0.284 199 T C -0.113 174.276 174.700 -0.519 0.000 1.004 199 T CA -0.157 61.606 62.100 -0.562 0.000 1.043 199 T CB 1.167 69.704 68.868 -0.552 0.000 1.013 199 T HN 1.125 nan 8.240 nan 0.000 0.518 200 D N 0.324 120.172 120.400 -0.920 0.000 2.447 200 D HA 0.004 4.288 4.640 -0.593 0.000 0.265 200 D C 0.924 177.034 176.300 -0.316 0.000 1.250 200 D CA -1.042 52.443 54.000 -0.858 0.000 1.046 200 D CB 0.233 40.577 40.800 -0.759 0.000 1.095 200 D HN 0.715 nan 8.370 nan 0.000 0.555 201 W N 0.280 121.442 121.300 -0.229 0.000 2.335 201 W HA -0.203 4.107 4.660 -0.584 0.000 0.311 201 W C 2.129 178.491 176.519 -0.263 0.000 1.213 201 W CA 2.200 59.428 57.345 -0.194 0.000 1.274 201 W CB -0.380 28.919 29.460 -0.269 0.000 1.148 201 W HN 0.208 nan 8.180 nan 0.000 0.498 202 V N -0.325 119.572 119.914 -0.028 0.000 2.591 202 V HA -0.248 3.516 4.120 -0.593 0.000 0.249 202 V C 1.793 177.641 176.094 -0.410 0.000 1.053 202 V CA 1.774 63.953 62.300 -0.203 0.000 1.068 202 V CB -0.680 31.059 31.823 -0.139 0.000 0.689 202 V HN 0.266 nan 8.190 nan 0.000 0.462 203 Y N 0.758 120.741 120.300 -0.528 0.000 2.263 203 Y HA -0.153 4.041 4.550 -0.593 0.000 0.292 203 Y C 2.561 178.127 175.900 -0.556 0.000 1.130 203 Y CA 2.097 59.796 58.100 -0.668 0.000 1.179 203 Y CB -0.037 37.739 38.460 -1.139 0.000 0.998 203 Y HN 0.398 nan 8.280 nan 0.000 0.532 204 E N 0.296 120.290 120.200 -0.342 0.000 2.031 204 E HA -0.286 3.708 4.350 -0.593 0.000 0.193 204 E C 1.991 178.483 176.600 -0.179 0.000 0.994 204 E CA 1.586 57.864 56.400 -0.203 0.000 0.800 204 E CB -0.007 29.597 29.700 -0.160 0.000 0.752 204 E HN 0.375 nan 8.360 nan 0.000 0.447 205 E N 0.069 119.983 120.200 -0.477 0.000 2.112 205 E HA -0.125 3.869 4.350 -0.593 0.000 0.190 205 E C 1.501 177.960 176.600 -0.236 0.000 0.979 205 E CA 1.297 57.426 56.400 -0.453 0.000 0.814 205 E CB 0.247 29.311 29.700 -1.060 0.000 0.762 205 E HN 0.236 nan 8.360 nan 0.000 0.460 206 E N -0.927 119.113 120.200 -0.266 0.000 2.465 206 E HA 0.114 4.109 4.350 -0.593 0.000 0.209 206 E C 1.589 178.111 176.600 -0.130 0.000 0.951 206 E CA 0.320 56.636 56.400 -0.141 0.000 0.997 206 E CB 1.089 30.692 29.700 -0.161 0.000 1.025 206 E HN 0.174 nan 8.360 nan 0.000 0.500 207 V N -0.021 119.783 119.914 -0.184 0.000 2.735 207 V HA 0.034 3.799 4.120 -0.593 0.000 0.234 207 V C 1.610 177.874 176.094 0.283 0.000 1.121 207 V CA 0.662 62.924 62.300 -0.064 0.000 1.160 207 V CB -0.242 31.383 31.823 -0.330 0.000 0.908 207 V HN 0.031 nan 8.190 nan 0.000 0.495 208 F N 0.774 120.724 119.950 0.001 0.000 2.569 208 F HA 0.275 4.447 4.527 -0.591 0.000 0.295 208 F C 1.684 177.450 175.800 -0.057 0.000 1.115 208 F CA 0.116 58.134 58.000 0.029 0.000 1.450 208 F CB -0.864 38.178 39.000 0.069 0.000 1.107 208 F HN 0.163 nan 8.300 nan 0.000 0.563 209 S N 0.148 115.903 115.700 0.092 0.000 3.614 209 S HA 0.040 4.154 4.470 -0.593 0.000 0.360 209 S C 0.099 174.364 174.600 -0.557 0.000 1.023 209 S CA 0.472 58.618 58.200 -0.091 0.000 1.114 209 S CB -1.683 61.513 63.200 -0.006 0.000 0.907 209 S HN 0.689 nan 8.310 nan 0.000 0.470 210 A N -0.579 122.075 122.820 -0.277 0.000 2.597 210 A HA 0.678 4.643 4.320 -0.593 0.000 0.292 210 A C -0.395 177.196 177.584 0.012 0.000 1.057 210 A CA -0.430 51.458 52.037 -0.249 0.000 0.674 210 A CB 0.253 19.164 19.000 -0.149 0.000 1.278 210 A HN 0.414 nan 8.150 nan 0.000 0.416 211 Y N 1.329 121.515 120.300 -0.189 0.000 2.448 211 Y HA 0.246 4.442 4.550 -0.590 0.000 0.289 211 Y C 1.508 177.181 175.900 -0.377 0.000 1.114 211 Y CA 0.973 58.951 58.100 -0.203 0.000 1.235 211 Y CB 0.032 38.411 38.460 -0.135 0.000 1.045 211 Y HN 0.710 nan 8.280 nan 0.000 0.554 212 S N 0.646 115.926 115.700 -0.699 0.000 2.562 212 S HA 0.448 4.563 4.470 -0.593 0.000 0.281 212 S C 0.266 174.521 174.600 -0.575 0.000 1.333 212 S CA 0.238 57.736 58.200 -1.170 0.000 1.052 212 S CB 0.427 62.556 63.200 -1.786 0.000 0.884 212 S HN 0.460 nan 8.310 nan 0.000 0.506 213 A N 4.154 126.589 122.820 -0.641 0.000 3.106 213 A HA 0.506 4.471 4.320 -0.593 0.000 0.227 213 A C -0.843 176.134 177.584 -1.011 0.000 0.920 213 A CA -0.605 51.115 52.037 -0.529 0.000 1.088 213 A CB -0.341 18.774 19.000 0.192 0.000 1.233 213 A HN 0.991 nan 8.150 nan 0.000 0.503 214 L N -4.868 115.540 121.223 -1.359 0.000 2.434 214 L HA 0.943 4.927 4.340 -0.593 0.000 0.260 214 L C -1.451 174.906 176.870 -0.855 0.000 0.983 214 L CA -1.144 53.196 54.840 -0.834 0.000 0.820 214 L CB 1.137 42.978 42.059 -0.363 0.000 1.361 214 L HN 0.206 nan 8.230 nan 0.000 0.410 215 W N 1.849 123.230 121.300 0.136 0.000 2.802 215 W HA 0.322 4.626 4.660 -0.593 0.000 0.331 215 W C -1.486 175.297 176.519 0.440 0.000 1.021 215 W CA -0.760 56.779 57.345 0.324 0.000 1.259 215 W CB 1.376 31.061 29.460 0.375 0.000 1.323 215 W HN 0.625 nan 8.180 nan 0.000 0.432 216 W N 2.296 123.821 121.300 0.374 0.000 2.150 216 W HA 0.232 4.536 4.660 -0.593 0.000 0.341 216 W C 1.262 177.609 176.519 -0.286 0.000 1.276 216 W CA 0.393 57.813 57.345 0.125 0.000 1.238 216 W CB 0.759 30.257 29.460 0.064 0.000 1.128 216 W HN 0.161 nan 8.180 nan 0.000 0.581 217 S N 1.862 117.291 115.700 -0.450 0.000 2.603 217 S HA 0.232 4.347 4.470 -0.593 0.000 0.268 217 S C -1.870 172.470 174.600 -0.434 0.000 1.317 217 S CA -1.110 56.273 58.200 -1.361 0.000 1.012 217 S CB 1.140 63.564 63.200 -1.294 0.000 0.926 217 S HN 0.266 nan 8.310 nan 0.000 0.539 218 P HA -0.139 nan 4.420 nan 0.000 0.218 218 P C 0.804 178.062 177.300 -0.070 0.000 1.154 218 P CA 1.481 64.541 63.100 -0.067 0.000 0.872 218 P CB -0.051 31.659 31.700 0.016 0.000 0.790 219 N N -2.276 116.367 118.700 -0.096 0.000 2.235 219 N HA 0.154 4.538 4.740 -0.593 0.000 0.209 219 N C 0.817 176.245 175.510 -0.137 0.000 1.122 219 N CA 0.559 53.552 53.050 -0.094 0.000 0.845 219 N CB -0.425 38.023 38.487 -0.065 0.000 1.004 219 N HN 0.025 nan 8.380 nan 0.000 0.499 220 G N -0.877 107.840 108.800 -0.138 0.000 2.155 220 G HA2 -0.327 3.278 3.960 -0.593 0.000 0.257 220 G HA3 -0.327 3.278 3.960 -0.593 0.000 0.257 220 G C 1.068 175.972 174.900 0.006 0.000 0.983 220 G CA 1.017 46.044 45.100 -0.121 0.000 0.676 220 G HN 0.398 nan 8.290 nan 0.000 0.528 221 T N -0.298 114.180 114.554 -0.127 0.000 2.732 221 T HA 0.254 4.249 4.350 -0.593 0.000 0.261 221 T C 0.848 175.327 174.700 -0.368 0.000 1.040 221 T CA 1.303 63.187 62.100 -0.359 0.000 1.145 221 T CB -0.022 68.422 68.868 -0.707 0.000 0.866 221 T HN 0.307 nan 8.240 nan 0.000 0.427 222 F N 0.288 120.288 119.950 0.084 0.000 2.507 222 F HA 0.667 4.838 4.527 -0.593 0.000 0.327 222 F C -0.344 175.540 175.800 0.139 0.000 1.068 222 F CA -1.711 56.378 58.000 0.149 0.000 0.965 222 F CB 1.230 40.387 39.000 0.261 0.000 1.192 222 F HN -0.120 nan 8.300 nan 0.000 0.476 223 L N 2.519 123.903 121.223 0.269 0.000 2.372 223 L HA 0.805 4.790 4.340 -0.593 0.000 0.273 223 L C -0.636 176.337 176.870 0.172 0.000 0.989 223 L CA -0.516 54.301 54.840 -0.039 0.000 0.841 223 L CB 0.727 42.458 42.059 -0.547 0.000 1.225 223 L HN 0.691 nan 8.230 nan 0.000 0.414 224 A N 4.625 127.636 122.820 0.318 0.000 2.304 224 A HA 0.783 4.747 4.320 -0.593 0.000 0.301 224 A C -1.359 176.315 177.584 0.150 0.000 1.132 224 A CA -0.205 51.908 52.037 0.127 0.000 0.819 224 A CB 0.595 19.710 19.000 0.193 0.000 1.094 224 A HN 0.923 nan 8.150 nan 0.000 0.492 225 Y N -1.759 118.355 120.300 -0.310 0.000 2.624 225 Y HA 0.723 4.917 4.550 -0.593 0.000 0.334 225 Y C -0.452 175.319 175.900 -0.216 0.000 1.155 225 Y CA -0.858 57.145 58.100 -0.161 0.000 1.046 225 Y CB 0.794 39.124 38.460 -0.215 0.000 1.316 225 Y HN 0.953 nan 8.280 nan 0.000 0.457 226 A N 2.621 125.493 122.820 0.087 0.000 2.320 226 A HA 0.675 4.639 4.320 -0.593 0.000 0.334 226 A C -1.171 176.276 177.584 -0.228 0.000 1.147 226 A CA -0.853 51.097 52.037 -0.144 0.000 0.820 226 A CB 1.717 20.665 19.000 -0.087 0.000 1.218 226 A HN 0.821 nan 8.150 nan 0.000 0.482 227 Q N 1.125 120.714 119.800 -0.351 0.000 2.330 227 Q HA 0.605 4.589 4.340 -0.593 0.000 0.269 227 Q C -2.029 173.676 176.000 -0.491 0.000 1.022 227 Q CA -0.378 55.313 55.803 -0.187 0.000 0.796 227 Q CB 1.033 29.859 28.738 0.147 0.000 1.271 227 Q HN 0.597 nan 8.270 nan 0.000 0.450 228 F N 2.406 122.413 119.950 0.095 0.000 2.458 228 F HA 0.397 4.570 4.527 -0.591 0.000 0.336 228 F C 0.419 176.332 175.800 0.187 0.000 1.114 228 F CA -0.930 57.099 58.000 0.048 0.000 0.987 228 F CB 1.346 40.273 39.000 -0.121 0.000 1.130 228 F HN 0.427 nan 8.300 nan 0.000 0.458 229 N N 2.145 121.023 118.700 0.296 0.000 2.518 229 N HA 0.197 4.582 4.740 -0.593 0.000 0.254 229 N C -0.732 174.923 175.510 0.241 0.000 0.979 229 N CA -0.284 52.910 53.050 0.241 0.000 0.930 229 N CB 0.944 39.524 38.487 0.154 0.000 1.152 229 N HN 0.551 nan 8.380 nan 0.000 0.505 230 D N 1.387 121.954 120.400 0.278 0.000 2.342 230 D HA 0.098 4.383 4.640 -0.593 0.000 0.221 230 D C 1.252 177.651 176.300 0.164 0.000 1.101 230 D CA 0.232 54.374 54.000 0.237 0.000 0.837 230 D CB 0.484 41.478 40.800 0.323 0.000 0.938 230 D HN 0.478 nan 8.370 nan 0.000 0.508 231 T N 0.401 115.035 114.554 0.133 0.000 2.649 231 T HA -0.235 3.759 4.350 -0.593 0.000 0.268 231 T C 1.384 176.129 174.700 0.075 0.000 1.036 231 T CA 1.378 63.531 62.100 0.089 0.000 1.157 231 T CB -0.086 68.825 68.868 0.071 0.000 0.861 231 T HN 0.321 nan 8.240 nan 0.000 0.445 232 E N 0.230 120.476 120.200 0.076 0.000 2.463 232 E HA 0.166 4.161 4.350 -0.593 0.000 0.193 232 E C -0.410 176.230 176.600 0.066 0.000 1.041 232 E CA -0.263 56.174 56.400 0.061 0.000 0.879 232 E CB 0.520 30.250 29.700 0.049 0.000 0.997 232 E HN 0.214 nan 8.360 nan 0.000 0.478 233 V N 3.328 123.294 119.914 0.086 0.000 2.488 233 V HA 0.120 3.885 4.120 -0.593 0.000 0.277 233 V C -2.019 174.122 176.094 0.078 0.000 1.046 233 V CA -1.608 60.746 62.300 0.090 0.000 0.986 233 V CB 0.604 32.497 31.823 0.116 0.000 0.989 233 V HN 0.035 nan 8.190 nan 0.000 0.475 234 P HA 0.251 nan 4.420 nan 0.000 0.272 234 P C -0.721 176.605 177.300 0.042 0.000 1.230 234 P CA -0.276 62.852 63.100 0.048 0.000 0.788 234 P CB 0.502 32.228 31.700 0.044 0.000 0.949 235 L N 2.287 123.512 121.223 0.004 0.000 2.289 235 L HA 0.407 4.392 4.340 -0.593 0.000 0.285 235 L C 0.424 177.233 176.870 -0.102 0.000 1.049 235 L CA -0.904 53.918 54.840 -0.029 0.000 0.804 235 L CB 0.838 42.875 42.059 -0.037 0.000 1.195 235 L HN 0.308 nan 8.230 nan 0.000 0.428 236 I N 2.915 123.375 120.570 -0.183 0.000 2.428 236 I HA 0.235 4.050 4.170 -0.593 0.000 0.289 236 I C -0.287 175.662 176.117 -0.280 0.000 1.019 236 I CA 0.332 61.419 61.300 -0.354 0.000 1.351 236 I CB 0.783 38.302 38.000 -0.802 0.000 1.412 236 I HN 0.573 nan 8.210 nan 0.000 0.513 237 E N 7.136 127.195 120.200 -0.236 0.000 2.248 237 E HA 0.519 4.514 4.350 -0.593 0.000 0.267 237 E C -1.789 174.731 176.600 -0.133 0.000 0.877 237 E CA -0.612 55.651 56.400 -0.229 0.000 0.759 237 E CB 2.192 31.791 29.700 -0.168 0.000 1.182 237 E HN 0.588 nan 8.360 nan 0.000 0.418 238 Y N -1.947 118.257 120.300 -0.161 0.000 2.638 238 Y HA 0.530 4.711 4.550 -0.616 0.000 0.335 238 Y C -0.754 175.068 175.900 -0.130 0.000 1.155 238 Y CA -1.259 56.755 58.100 -0.143 0.000 1.046 238 Y CB 0.824 39.206 38.460 -0.131 0.000 1.303 238 Y HN 0.204 nan 8.280 nan 0.000 0.460 239 S N 1.732 117.433 115.700 0.001 0.000 2.565 239 S HA 0.474 4.589 4.470 -0.593 0.000 0.274 239 S C -1.425 173.029 174.600 -0.243 0.000 1.309 239 S CA -0.347 57.701 58.200 -0.253 0.000 1.043 239 S CB 0.352 63.249 63.200 -0.504 0.000 0.939 239 S HN 0.515 nan 8.310 nan 0.000 0.504 240 F N 2.526 122.205 119.950 -0.452 0.000 2.507 240 F HA 0.427 4.604 4.527 -0.582 0.000 0.328 240 F C -0.259 175.287 175.800 -0.424 0.000 1.136 240 F CA -0.942 56.889 58.000 -0.282 0.000 0.930 240 F CB 0.791 39.750 39.000 -0.067 0.000 1.166 240 F HN 0.655 nan 8.300 nan 0.000 0.436 241 Y N 2.735 122.814 120.300 -0.368 0.000 2.448 241 Y HA 0.110 4.209 4.550 -0.753 0.000 0.289 241 Y C 1.726 177.537 175.900 -0.149 0.000 1.114 241 Y CA 1.110 59.086 58.100 -0.207 0.000 1.235 241 Y CB -0.505 37.820 38.460 -0.224 0.000 1.045 241 Y HN 0.737 nan 8.280 nan 0.000 0.554 242 S N -0.034 115.531 115.700 -0.226 0.000 3.443 242 S HA -0.329 3.785 4.470 -0.593 0.000 0.635 242 S C -0.154 174.481 174.600 0.057 0.000 2.555 242 S CA 0.294 58.534 58.200 0.066 0.000 2.778 242 S CB -1.427 61.932 63.200 0.265 0.000 0.331 242 S HN 0.610 nan 8.310 nan 0.000 1.765 243 D N 0.867 121.328 120.400 0.103 0.000 2.423 243 D HA 0.225 4.509 4.640 -0.593 0.000 0.238 243 D C 1.434 177.765 176.300 0.052 0.000 1.142 243 D CA 0.816 54.858 54.000 0.070 0.000 0.884 243 D CB 0.475 41.320 40.800 0.076 0.000 1.199 243 D HN 0.525 nan 8.370 nan 0.000 0.438 244 E N 1.080 121.298 120.200 0.031 0.000 2.233 244 E HA -0.279 3.715 4.350 -0.593 0.000 0.199 244 E C 1.499 178.111 176.600 0.020 0.000 1.004 244 E CA 1.413 57.824 56.400 0.017 0.000 0.819 244 E CB 0.044 29.748 29.700 0.007 0.000 0.738 244 E HN 0.580 nan 8.360 nan 0.000 0.478 245 S N -0.037 115.681 115.700 0.031 0.000 2.453 245 S HA -0.047 4.068 4.470 -0.593 0.000 0.231 245 S C 1.147 175.772 174.600 0.042 0.000 1.005 245 S CA -0.059 58.160 58.200 0.031 0.000 0.949 245 S CB -0.112 63.109 63.200 0.034 0.000 0.774 245 S HN 0.223 nan 8.310 nan 0.000 0.510 246 L N 2.621 123.879 121.223 0.057 0.000 2.530 246 L HA 0.093 4.078 4.340 -0.593 0.000 0.273 246 L C 1.668 178.576 176.870 0.064 0.000 1.141 246 L CA 0.155 55.041 54.840 0.077 0.000 0.905 246 L CB 0.790 42.907 42.059 0.097 0.000 1.202 246 L HN 0.480 nan 8.230 nan 0.000 0.473 247 Q N 4.164 124.009 119.800 0.074 0.000 2.079 247 Q HA -0.121 3.864 4.340 -0.593 0.000 0.200 247 Q C -0.604 175.338 176.000 -0.097 0.000 0.974 247 Q CA 1.440 57.242 55.803 -0.001 0.000 0.840 247 Q CB 0.209 28.973 28.738 0.043 0.000 0.898 247 Q HN 0.585 nan 8.270 nan 0.000 0.430 248 Y N 0.351 120.663 120.300 0.021 0.000 2.364 248 Y HA 0.396 4.588 4.550 -0.596 0.000 0.340 248 Y C -2.047 173.861 175.900 0.013 0.000 0.975 248 Y CA -3.001 55.108 58.100 0.016 0.000 1.089 248 Y CB 1.304 39.765 38.460 0.002 0.000 1.192 248 Y HN 0.129 nan 8.280 nan 0.000 0.454 249 P HA 0.115 nan 4.420 nan 0.000 0.269 249 P C -0.983 176.322 177.300 0.008 0.000 1.215 249 P CA -0.600 62.513 63.100 0.022 0.000 0.780 249 P CB 0.626 32.277 31.700 -0.082 0.000 0.898 250 K N -0.397 119.989 120.400 -0.024 0.000 2.139 250 K HA 0.680 4.645 4.320 -0.593 0.000 0.243 250 K C -0.778 175.770 176.600 -0.087 0.000 0.983 250 K CA -0.757 55.516 56.287 -0.023 0.000 0.890 250 K CB 0.700 33.208 32.500 0.014 0.000 1.090 250 K HN 0.165 nan 8.250 nan 0.000 0.445 251 T N 1.281 115.771 114.554 -0.106 0.000 2.779 251 T HA 0.288 4.283 4.350 -0.593 0.000 0.280 251 T C -0.584 173.982 174.700 -0.224 0.000 0.987 251 T CA -0.754 61.245 62.100 -0.168 0.000 0.966 251 T CB 1.305 70.090 68.868 -0.139 0.000 0.933 251 T HN 0.364 nan 8.240 nan 0.000 0.442 252 V N 4.779 124.452 119.914 -0.402 0.000 2.567 252 V HA 0.515 4.279 4.120 -0.593 0.000 0.289 252 V C 0.251 176.070 176.094 -0.458 0.000 1.049 252 V CA -0.632 61.386 62.300 -0.471 0.000 0.969 252 V CB 1.236 32.604 31.823 -0.759 0.000 0.995 252 V HN 0.726 nan 8.190 nan 0.000 0.471 253 R N 4.779 125.133 120.500 -0.244 0.000 2.502 253 R HA 0.726 4.710 4.340 -0.593 0.000 0.300 253 R C -1.497 174.771 176.300 -0.054 0.000 0.984 253 R CA -0.530 55.472 56.100 -0.163 0.000 0.882 253 R CB 2.024 32.263 30.300 -0.101 0.000 1.180 253 R HN 0.588 nan 8.270 nan 0.000 0.444 254 I N 3.256 123.788 120.570 -0.064 0.000 2.533 254 I HA 0.336 4.151 4.170 -0.593 0.000 0.290 254 I C -2.439 173.702 176.117 0.040 0.000 1.056 254 I CA -2.647 58.670 61.300 0.029 0.000 1.057 254 I CB 2.804 40.742 38.000 -0.104 0.000 1.240 254 I HN 0.244 nan 8.210 nan 0.000 0.423 255 P HA 0.079 nan 4.420 nan 0.000 0.269 255 P C -1.522 175.866 177.300 0.147 0.000 1.252 255 P CA 0.217 63.400 63.100 0.139 0.000 0.780 255 P CB -0.037 31.783 31.700 0.201 0.000 0.829 256 Y N 6.633 126.895 120.300 -0.063 0.000 2.332 256 Y HA 0.440 4.642 4.550 -0.580 0.000 0.325 256 Y C -2.793 173.075 175.900 -0.053 0.000 1.054 256 Y CA -2.900 55.124 58.100 -0.127 0.000 1.119 256 Y CB 1.967 40.228 38.460 -0.331 0.000 1.168 256 Y HN 0.277 nan 8.280 nan 0.000 0.439 257 P HA 0.295 nan 4.420 nan 0.000 0.293 257 P C -1.147 176.215 177.300 0.103 0.000 1.313 257 P CA -0.371 62.775 63.100 0.076 0.000 0.787 257 P CB 1.744 33.463 31.700 0.032 0.000 0.910 258 K N 1.917 122.454 120.400 0.230 0.000 2.098 258 K HA 0.527 4.492 4.320 -0.593 0.000 0.244 258 K C 0.504 177.207 176.600 0.172 0.000 1.014 258 K CA -0.754 55.688 56.287 0.258 0.000 0.917 258 K CB 0.679 33.343 32.500 0.274 0.000 1.072 258 K HN 0.462 nan 8.250 nan 0.000 0.477 259 A N 0.779 123.724 122.820 0.209 0.000 2.580 259 A HA 0.244 4.209 4.320 -0.593 0.000 0.244 259 A C 1.213 178.840 177.584 0.071 0.000 1.045 259 A CA 1.098 53.245 52.037 0.182 0.000 0.761 259 A CB -1.249 17.940 19.000 0.315 0.000 0.962 259 A HN 0.921 nan 8.150 nan 0.000 0.512 260 G N 0.941 109.774 108.800 0.055 0.000 2.184 260 G HA2 0.095 3.700 3.960 -0.593 0.000 0.264 260 G HA3 0.095 3.700 3.960 -0.593 0.000 0.264 260 G C 0.675 175.589 174.900 0.023 0.000 0.975 260 G CA 0.836 45.943 45.100 0.011 0.000 0.642 260 G HN 2.209 nan 8.290 nan 0.000 0.536 261 A N -0.263 122.587 122.820 0.049 0.000 2.259 261 A HA 0.710 4.674 4.320 -0.593 0.000 0.278 261 A C 0.512 178.125 177.584 0.047 0.000 1.107 261 A CA 0.515 52.583 52.037 0.051 0.000 0.828 261 A CB 0.352 19.397 19.000 0.075 0.000 1.111 261 A HN 0.676 nan 8.150 nan 0.000 0.498 262 E N 0.492 120.719 120.200 0.045 0.000 2.415 262 E HA 0.114 4.109 4.350 -0.593 0.000 0.263 262 E C -0.400 176.237 176.600 0.062 0.000 0.995 262 E CA 0.403 56.829 56.400 0.044 0.000 0.915 262 E CB 0.162 29.888 29.700 0.044 0.000 0.951 262 E HN 0.549 nan 8.360 nan 0.000 0.449 263 N N 3.763 122.501 118.700 0.063 0.000 2.459 263 N HA 0.463 4.847 4.740 -0.593 0.000 0.288 263 N C -2.523 173.063 175.510 0.127 0.000 1.186 263 N CA -1.786 51.324 53.050 0.100 0.000 0.917 263 N CB 0.966 39.516 38.487 0.106 0.000 1.219 263 N HN 0.358 nan 8.380 nan 0.000 0.525 264 P HA 0.108 nan 4.420 nan 0.000 0.272 264 P C -0.481 176.960 177.300 0.234 0.000 1.230 264 P CA -0.098 63.143 63.100 0.235 0.000 0.788 264 P CB 0.359 32.244 31.700 0.308 0.000 0.949 265 T N -1.706 112.960 114.554 0.186 0.000 2.952 265 T HA 0.608 4.602 4.350 -0.593 0.000 0.286 265 T C -0.300 174.490 174.700 0.149 0.000 1.024 265 T CA -0.856 61.311 62.100 0.111 0.000 1.029 265 T CB 1.561 70.463 68.868 0.056 0.000 1.094 265 T HN 0.345 nan 8.240 nan 0.000 0.515 266 V N 0.351 120.327 119.914 0.104 0.000 3.007 266 V HA 0.762 4.526 4.120 -0.593 0.000 0.311 266 V C -1.649 174.488 176.094 0.073 0.000 1.120 266 V CA -0.897 61.414 62.300 0.018 0.000 0.980 266 V CB 2.134 33.993 31.823 0.060 0.000 1.033 266 V HN 1.047 nan 8.190 nan 0.000 0.429 267 K N 4.452 124.838 120.400 -0.024 0.000 2.426 267 K HA 0.563 4.528 4.320 -0.593 0.000 0.251 267 K C -1.922 174.622 176.600 -0.095 0.000 0.941 267 K CA -0.438 55.825 56.287 -0.040 0.000 0.808 267 K CB 2.834 35.319 32.500 -0.026 0.000 1.265 267 K HN 0.575 nan 8.250 nan 0.000 0.432 268 F N 2.662 122.389 119.950 -0.371 0.000 2.507 268 F HA 0.564 4.735 4.527 -0.593 0.000 0.325 268 F C -1.503 173.900 175.800 -0.662 0.000 1.116 268 F CA -0.652 57.130 58.000 -0.364 0.000 0.930 268 F CB 0.840 39.732 39.000 -0.181 0.000 1.146 268 F HN 0.378 nan 8.300 nan 0.000 0.447 269 F N 4.140 123.442 119.950 -1.080 0.000 2.603 269 F HA 0.727 4.898 4.527 -0.593 0.000 0.317 269 F C -0.924 174.453 175.800 -0.704 0.000 1.066 269 F CA -1.254 56.306 58.000 -0.734 0.000 0.941 269 F CB 2.034 40.567 39.000 -0.779 0.000 1.291 269 F HN 0.087 nan 8.300 nan 0.000 0.472 270 V N 2.839 122.716 119.914 -0.061 0.000 2.444 270 V HA 0.476 4.240 4.120 -0.593 0.000 0.294 270 V C -0.774 175.483 176.094 0.273 0.000 1.022 270 V CA -0.815 61.475 62.300 -0.018 0.000 0.850 270 V CB 1.702 33.287 31.823 -0.397 0.000 0.992 270 V HN 0.525 nan 8.190 nan 0.000 0.426 271 V N 3.553 123.657 119.914 0.317 0.000 2.394 271 V HA 0.333 4.098 4.120 -0.593 0.000 0.282 271 V C 0.028 176.403 176.094 0.468 0.000 1.031 271 V CA -0.478 62.029 62.300 0.346 0.000 0.881 271 V CB 1.809 33.754 31.823 0.203 0.000 0.982 271 V HN 0.887 nan 8.190 nan 0.000 0.451 272 D N 3.685 124.382 120.400 0.496 0.000 2.393 272 D HA 0.060 4.344 4.640 -0.593 0.000 0.232 272 D C 1.379 177.785 176.300 0.177 0.000 1.192 272 D CA 0.091 54.342 54.000 0.417 0.000 0.882 272 D CB 1.605 42.672 40.800 0.445 0.000 1.038 272 D HN 0.741 nan 8.370 nan 0.000 0.499 273 T N 1.444 116.055 114.554 0.095 0.000 3.118 273 T HA -0.026 3.968 4.350 -0.593 0.000 0.260 273 T C 1.636 176.372 174.700 0.060 0.000 1.139 273 T CA 0.391 62.547 62.100 0.093 0.000 1.085 273 T CB -0.021 68.952 68.868 0.174 0.000 0.934 273 T HN 0.314 nan 8.240 nan 0.000 0.518 274 R N 1.291 121.794 120.500 0.005 0.000 2.152 274 R HA -0.035 3.949 4.340 -0.593 0.000 0.232 274 R C 2.418 178.741 176.300 0.039 0.000 1.117 274 R CA 1.756 57.857 56.100 0.000 0.000 0.981 274 R CB -0.511 29.764 30.300 -0.042 0.000 0.870 274 R HN 0.680 nan 8.270 nan 0.000 0.451 275 T N -1.759 112.835 114.554 0.066 0.000 3.107 275 T HA 0.224 4.218 4.350 -0.593 0.000 0.249 275 T C 0.688 175.432 174.700 0.074 0.000 1.096 275 T CA -0.226 61.918 62.100 0.074 0.000 1.012 275 T CB -0.016 68.909 68.868 0.096 0.000 0.977 275 T HN -0.022 nan 8.240 nan 0.000 0.527 276 L N 2.334 123.600 121.223 0.071 0.000 2.534 276 L HA 0.384 4.368 4.340 -0.593 0.000 0.271 276 L C 0.446 177.352 176.870 0.061 0.000 1.178 276 L CA 0.014 54.894 54.840 0.067 0.000 0.907 276 L CB 0.430 42.524 42.059 0.059 0.000 1.164 276 L HN 0.229 nan 8.230 nan 0.000 0.482 277 S N 3.746 119.485 115.700 0.064 0.000 2.537 277 S HA 0.455 4.569 4.470 -0.593 0.000 0.270 277 S C -1.931 172.707 174.600 0.063 0.000 1.142 277 S CA -1.091 57.144 58.200 0.058 0.000 0.870 277 S CB 1.916 65.147 63.200 0.053 0.000 1.112 277 S HN 0.328 nan 8.310 nan 0.000 0.466 278 P HA -0.118 nan 4.420 nan 0.000 0.216 278 P C 0.257 177.598 177.300 0.067 0.000 1.154 278 P CA 1.505 64.643 63.100 0.063 0.000 0.865 278 P CB -0.049 31.681 31.700 0.051 0.000 0.789 279 N N -0.871 117.862 118.700 0.055 0.000 2.273 279 N HA 0.287 4.672 4.740 -0.593 0.000 0.231 279 N C 0.185 175.723 175.510 0.046 0.000 1.134 279 N CA -0.035 53.045 53.050 0.049 0.000 0.856 279 N CB 0.617 39.126 38.487 0.037 0.000 1.068 279 N HN 0.128 nan 8.380 nan 0.000 0.510 280 A N 0.358 123.213 122.820 0.058 0.000 2.311 280 A HA 0.654 4.618 4.320 -0.593 0.000 0.334 280 A C 0.644 178.269 177.584 0.069 0.000 1.139 280 A CA -0.520 51.552 52.037 0.057 0.000 0.830 280 A CB 0.887 19.924 19.000 0.062 0.000 1.234 280 A HN 0.192 nan 8.150 nan 0.000 0.483 281 S N 0.009 115.741 115.700 0.053 0.000 2.634 281 S HA 0.493 4.607 4.470 -0.593 0.000 0.261 281 S C -0.017 174.646 174.600 0.105 0.000 1.271 281 S CA -0.502 57.727 58.200 0.049 0.000 0.985 281 S CB 0.676 63.884 63.200 0.013 0.000 0.968 281 S HN 0.806 nan 8.310 nan 0.000 0.568 282 V N 1.676 121.673 119.914 0.138 0.000 2.432 282 V HA 0.304 4.068 4.120 -0.593 0.000 0.275 282 V C 0.313 176.500 176.094 0.156 0.000 1.043 282 V CA -0.476 61.921 62.300 0.162 0.000 0.925 282 V CB 1.009 32.957 31.823 0.208 0.000 0.985 282 V HN 1.006 nan 8.190 nan 0.000 0.466 283 T N 4.907 119.567 114.554 0.176 0.000 2.729 283 T HA 0.487 4.481 4.350 -0.593 0.000 0.296 283 T C 0.110 174.980 174.700 0.284 0.000 0.928 283 T CA -0.167 62.065 62.100 0.221 0.000 1.045 283 T CB 0.549 69.556 68.868 0.233 0.000 0.902 283 T HN 0.929 nan 8.240 nan 0.000 0.500 284 S N 3.180 119.064 115.700 0.306 0.000 2.579 284 S HA 0.718 4.832 4.470 -0.593 0.000 0.272 284 S C -1.736 173.134 174.600 0.450 0.000 1.141 284 S CA -0.980 57.444 58.200 0.373 0.000 0.843 284 S CB 1.705 65.085 63.200 0.301 0.000 1.122 284 S HN 0.598 nan 8.310 nan 0.000 0.468 285 Y N 1.010 121.519 120.300 0.348 0.000 2.421 285 Y HA 0.502 4.697 4.550 -0.592 0.000 0.339 285 Y C -0.584 175.415 175.900 0.166 0.000 0.996 285 Y CA -0.421 57.856 58.100 0.295 0.000 1.046 285 Y CB 1.944 40.648 38.460 0.407 0.000 1.226 285 Y HN 0.936 nan 8.280 nan 0.000 0.445 286 Q N 6.357 125.806 119.800 -0.584 0.000 2.274 286 Q HA 0.523 4.508 4.340 -0.593 0.000 0.256 286 Q C -1.303 174.391 176.000 -0.510 0.000 0.927 286 Q CA -0.494 54.890 55.803 -0.697 0.000 0.939 286 Q CB 0.824 29.069 28.738 -0.821 0.000 1.201 286 Q HN 0.756 nan 8.270 nan 0.000 0.426 287 I N 4.925 125.392 120.570 -0.171 0.000 2.354 287 I HA 0.284 4.099 4.170 -0.593 0.000 0.292 287 I C 0.057 176.160 176.117 -0.023 0.000 0.989 287 I CA -0.971 60.350 61.300 0.034 0.000 1.188 287 I CB 1.440 39.538 38.000 0.163 0.000 1.342 287 I HN 0.418 nan 8.210 nan 0.000 0.457 288 V N 5.023 124.864 119.914 -0.120 0.000 2.713 288 V HA 0.666 4.430 4.120 -0.593 0.000 0.307 288 V C -2.370 173.431 176.094 -0.488 0.000 1.052 288 V CA -2.003 60.129 62.300 -0.280 0.000 0.967 288 V CB 1.141 32.801 31.823 -0.270 0.000 1.019 288 V HN 0.534 nan 8.190 nan 0.000 0.459 289 P HA 0.351 nan 4.420 nan 0.000 0.272 289 P C -2.787 174.096 177.300 -0.695 0.000 1.240 289 P CA -1.270 60.980 63.100 -1.418 0.000 0.791 289 P CB -0.400 30.036 31.700 -2.107 0.000 0.978 290 P HA 0.035 nan 4.420 nan 0.000 0.270 290 P C 0.815 177.951 177.300 -0.273 0.000 1.223 290 P CA 0.121 63.060 63.100 -0.268 0.000 0.785 290 P CB 0.083 31.691 31.700 -0.153 0.000 0.923 291 A N 1.978 124.684 122.820 -0.190 0.000 1.917 291 A HA -0.224 3.741 4.320 -0.593 0.000 0.219 291 A C 2.099 179.576 177.584 -0.177 0.000 1.182 291 A CA 2.499 54.431 52.037 -0.175 0.000 0.633 291 A CB -1.893 17.035 19.000 -0.121 0.000 0.819 291 A HN 0.629 nan 8.150 nan 0.000 0.448 292 S N -1.164 114.453 115.700 -0.139 0.000 2.469 292 S HA -0.044 4.071 4.470 -0.593 0.000 0.238 292 S C 1.433 175.881 174.600 -0.252 0.000 0.998 292 S CA 1.441 59.544 58.200 -0.162 0.000 0.957 292 S CB -0.252 62.930 63.200 -0.030 0.000 0.764 292 S HN 0.278 nan 8.310 nan 0.000 0.514 293 V N 0.446 120.222 119.914 -0.230 0.000 3.151 293 V HA 0.275 4.040 4.120 -0.593 0.000 0.241 293 V C 2.087 177.955 176.094 -0.376 0.000 1.173 293 V CA 0.231 62.375 62.300 -0.260 0.000 1.154 293 V CB -0.185 31.511 31.823 -0.212 0.000 0.898 293 V HN 0.415 nan 8.190 nan 0.000 0.473 294 L N 1.219 122.168 121.223 -0.457 0.000 2.187 294 L HA -0.169 3.816 4.340 -0.593 0.000 0.213 294 L C 2.386 179.128 176.870 -0.214 0.000 1.100 294 L CA 1.970 56.543 54.840 -0.445 0.000 0.765 294 L CB -0.246 41.589 42.059 -0.373 0.000 0.904 294 L HN 0.483 nan 8.230 nan 0.000 0.437 295 I N -2.775 117.686 120.570 -0.182 0.000 2.657 295 I HA -0.003 3.812 4.170 -0.593 0.000 0.261 295 I C 1.037 177.105 176.117 -0.081 0.000 1.212 295 I CA 0.924 62.150 61.300 -0.124 0.000 1.453 295 I CB -0.712 37.208 38.000 -0.133 0.000 1.092 295 I HN 0.185 nan 8.210 nan 0.000 0.452 296 G N 0.013 108.781 108.800 -0.053 0.000 2.682 296 G HA2 0.282 3.886 3.960 -0.593 0.000 0.303 296 G HA3 0.282 3.886 3.960 -0.593 0.000 0.303 296 G C -1.752 173.178 174.900 0.049 0.000 1.341 296 G CA -0.599 44.488 45.100 -0.022 0.000 0.784 296 G HN 0.022 nan 8.290 nan 0.000 0.497 297 D N 1.344 121.724 120.400 -0.033 0.000 2.525 297 D HA 0.351 4.635 4.640 -0.593 0.000 0.235 297 D C 0.459 176.675 176.300 -0.140 0.000 1.137 297 D CA 0.895 54.817 54.000 -0.131 0.000 0.868 297 D CB 0.267 40.962 40.800 -0.175 0.000 1.180 297 D HN 0.527 nan 8.370 nan 0.000 0.465 298 H N -0.467 118.458 119.070 -0.242 0.000 2.942 298 H HA 0.482 4.683 4.556 -0.592 0.000 0.316 298 H C -1.316 173.889 175.328 -0.205 0.000 1.323 298 H CA -0.836 55.080 56.048 -0.219 0.000 1.144 298 H CB 0.441 30.191 29.762 -0.021 0.000 1.866 298 H HN 0.272 nan 8.280 nan 0.000 0.545 299 Y N 0.141 120.689 120.300 0.414 0.000 2.512 299 Y HA 0.359 4.553 4.550 -0.593 0.000 0.348 299 Y C -0.364 175.881 175.900 0.576 0.000 0.990 299 Y CA -1.140 57.212 58.100 0.421 0.000 1.033 299 Y CB 2.035 40.576 38.460 0.135 0.000 1.259 299 Y HN 0.503 nan 8.280 nan 0.000 0.461 300 L N 3.502 125.162 121.223 0.729 0.000 2.281 300 L HA 0.413 4.397 4.340 -0.593 0.000 0.285 300 L C 0.392 177.480 176.870 0.363 0.000 1.074 300 L CA -0.312 54.596 54.840 0.113 0.000 0.817 300 L CB 0.359 42.336 42.059 -0.135 0.000 1.168 300 L HN 0.949 nan 8.230 nan 0.000 0.434 301 C N 1.880 121.252 119.300 0.119 0.000 3.183 301 C HA 0.869 4.974 4.460 -0.593 0.000 0.285 301 C C 0.699 175.691 174.990 0.004 0.000 1.313 301 C CA -0.058 59.092 59.018 0.219 0.000 1.711 301 C CB -1.040 26.795 27.740 0.158 0.000 2.135 301 C HN 1.003 nan 8.230 nan 0.000 0.651 302 G N -0.081 108.554 108.800 -0.275 0.000 2.556 302 G HA2 0.544 4.149 3.960 -0.593 0.000 0.294 302 G HA3 0.544 4.149 3.960 -0.593 0.000 0.294 302 G C -1.894 172.584 174.900 -0.703 0.000 1.516 302 G CA -0.187 44.641 45.100 -0.454 0.000 0.824 302 G HN 0.364 nan 8.290 nan 0.000 0.535 303 V N 0.456 119.866 119.914 -0.840 0.000 2.686 303 V HA 0.823 4.588 4.120 -0.593 0.000 0.306 303 V C -0.423 175.233 176.094 -0.730 0.000 1.065 303 V CA -0.702 60.970 62.300 -1.046 0.000 0.894 303 V CB 2.204 32.946 31.823 -1.802 0.000 1.004 303 V HN 0.928 nan 8.190 nan 0.000 0.424 304 T N 3.014 117.207 114.554 -0.601 0.000 3.031 304 T HA 0.344 4.338 4.350 -0.593 0.000 0.305 304 T C -0.926 173.569 174.700 -0.341 0.000 0.985 304 T CA -0.377 61.520 62.100 -0.338 0.000 1.008 304 T CB 0.759 69.509 68.868 -0.196 0.000 1.005 304 T HN 0.554 nan 8.240 nan 0.000 0.444 305 W N 2.746 123.960 121.300 -0.142 0.000 2.253 305 W HA 0.331 4.635 4.660 -0.593 0.000 0.322 305 W C 1.118 177.553 176.519 -0.140 0.000 1.342 305 W CA -0.334 56.952 57.345 -0.098 0.000 1.218 305 W CB 0.704 30.192 29.460 0.046 0.000 1.205 305 W HN 0.468 nan 8.180 nan 0.000 0.551 306 V N 1.768 121.702 119.914 0.034 0.000 2.521 306 V HA 0.086 3.850 4.120 -0.593 0.000 0.239 306 V C 0.885 177.040 176.094 0.101 0.000 1.053 306 V CA 1.508 63.728 62.300 -0.133 0.000 1.073 306 V CB -0.190 31.309 31.823 -0.540 0.000 0.746 306 V HN 0.664 nan 8.190 nan 0.000 0.476 307 T N -4.236 110.442 114.554 0.206 0.000 2.754 307 T HA 0.335 4.329 4.350 -0.593 0.000 0.296 307 T C 0.404 175.299 174.700 0.326 0.000 1.205 307 T CA -0.489 61.742 62.100 0.218 0.000 1.009 307 T CB 1.896 70.868 68.868 0.173 0.000 1.368 307 T HN -0.056 nan 8.240 nan 0.000 0.509 308 E N 0.443 120.788 120.200 0.241 0.000 2.333 308 E HA -0.062 3.932 4.350 -0.593 0.000 0.198 308 E C 0.946 177.853 176.600 0.513 0.000 1.007 308 E CA 1.146 57.713 56.400 0.279 0.000 0.845 308 E CB 0.070 29.874 29.700 0.173 0.000 0.766 308 E HN 0.756 nan 8.360 nan 0.000 0.507 309 E N -0.069 120.377 120.200 0.411 0.000 2.624 309 E HA 0.145 4.139 4.350 -0.593 0.000 0.210 309 E C 0.210 177.032 176.600 0.369 0.000 0.997 309 E CA -0.173 56.423 56.400 0.326 0.000 0.999 309 E CB 0.866 30.681 29.700 0.192 0.000 1.040 309 E HN -0.108 nan 8.360 nan 0.000 0.469 310 R N 1.495 122.291 120.500 0.494 0.000 2.515 310 R HA 0.478 4.462 4.340 -0.593 0.000 0.291 310 R C -1.855 174.533 176.300 0.147 0.000 1.046 310 R CA -0.417 55.864 56.100 0.303 0.000 0.914 310 R CB 1.228 31.592 30.300 0.106 0.000 1.191 310 R HN 0.049 nan 8.270 nan 0.000 0.435 311 I N 2.451 122.982 120.570 -0.064 0.000 2.608 311 I HA 0.393 4.207 4.170 -0.593 0.000 0.295 311 I C -1.124 174.699 176.117 -0.490 0.000 1.049 311 I CA -0.513 60.470 61.300 -0.527 0.000 1.063 311 I CB 2.350 39.663 38.000 -1.146 0.000 1.248 311 I HN 0.675 nan 8.210 nan 0.000 0.424 312 S N 7.703 123.052 115.700 -0.585 0.000 2.433 312 S HA 0.618 4.732 4.470 -0.593 0.000 0.310 312 S C -0.937 173.336 174.600 -0.545 0.000 1.097 312 S CA -0.681 57.240 58.200 -0.465 0.000 1.103 312 S CB 0.493 63.461 63.200 -0.385 0.000 0.992 312 S HN 0.501 nan 8.310 nan 0.000 0.469 313 L N 4.492 125.417 121.223 -0.498 0.000 2.307 313 L HA 0.564 4.548 4.340 -0.593 0.000 0.284 313 L C 0.035 176.612 176.870 -0.489 0.000 1.023 313 L CA -0.647 53.787 54.840 -0.677 0.000 0.810 313 L CB 1.760 43.391 42.059 -0.714 0.000 1.231 313 L HN 0.637 nan 8.230 nan 0.000 0.423 314 Q N 2.268 121.718 119.800 -0.585 0.000 2.322 314 Q HA 0.420 4.404 4.340 -0.593 0.000 0.265 314 Q C -1.876 173.910 176.000 -0.358 0.000 0.985 314 Q CA -0.539 55.068 55.803 -0.326 0.000 0.849 314 Q CB 1.546 30.131 28.738 -0.255 0.000 1.274 314 Q HN 0.478 nan 8.270 nan 0.000 0.449 315 W N 3.654 124.928 121.300 -0.043 0.000 2.799 315 W HA 0.701 5.005 4.660 -0.593 0.000 0.349 315 W C -0.722 175.859 176.519 0.102 0.000 1.100 315 W CA -0.642 56.733 57.345 0.049 0.000 1.174 315 W CB 1.386 30.847 29.460 0.001 0.000 1.427 315 W HN 0.517 nan 8.180 nan 0.000 0.547 316 I N 1.286 122.124 120.570 0.447 0.000 2.802 316 I HA 0.457 4.272 4.170 -0.593 0.000 0.298 316 I C -0.228 176.082 176.117 0.322 0.000 1.176 316 I CA -1.153 60.358 61.300 0.351 0.000 1.025 316 I CB 1.509 39.689 38.000 0.299 0.000 1.243 316 I HN 0.408 nan 8.210 nan 0.000 0.424 317 R N 4.116 124.765 120.500 0.247 0.000 2.679 317 R HA 0.237 4.221 4.340 -0.593 0.000 0.269 317 R C 1.032 177.357 176.300 0.042 0.000 1.076 317 R CA -0.277 55.887 56.100 0.108 0.000 1.160 317 R CB 0.500 30.824 30.300 0.039 0.000 1.054 317 R HN 0.585 nan 8.270 nan 0.000 0.507 318 R N 1.520 121.948 120.500 -0.121 0.000 2.159 318 R HA -0.180 3.804 4.340 -0.593 0.000 0.237 318 R C 1.688 178.005 176.300 0.028 0.000 1.131 318 R CA 1.803 57.795 56.100 -0.181 0.000 0.982 318 R CB -0.200 29.958 30.300 -0.236 0.000 0.868 318 R HN 0.757 nan 8.270 nan 0.000 0.453 319 A N 0.281 123.113 122.820 0.021 0.000 2.015 319 A HA -0.155 3.809 4.320 -0.593 0.000 0.219 319 A C 0.924 178.546 177.584 0.062 0.000 1.163 319 A CA 1.419 53.476 52.037 0.034 0.000 0.646 319 A CB -0.093 18.919 19.000 0.020 0.000 0.806 319 A HN 0.614 nan 8.150 nan 0.000 0.448 320 Q N -2.188 117.681 119.800 0.115 0.000 2.460 320 Q HA -0.230 3.755 4.340 -0.593 0.000 0.248 320 Q C -0.071 176.009 176.000 0.133 0.000 0.847 320 Q CA 0.788 56.671 55.803 0.133 0.000 1.214 320 Q CB -1.794 26.988 28.738 0.072 0.000 1.523 320 Q HN 0.975 nan 8.270 nan 0.000 0.602 321 N N -0.559 118.220 118.700 0.133 0.000 2.204 321 N HA 0.124 4.509 4.740 -0.593 0.000 0.219 321 N C -0.863 174.742 175.510 0.158 0.000 1.151 321 N CA -0.002 53.113 53.050 0.108 0.000 0.867 321 N CB 0.413 38.939 38.487 0.065 0.000 1.043 321 N HN 0.324 nan 8.380 nan 0.000 0.516 322 Y N 1.221 121.546 120.300 0.042 0.000 2.330 322 Y HA 0.541 4.736 4.550 -0.593 0.000 0.324 322 Y C -1.255 174.681 175.900 0.060 0.000 1.093 322 Y CA -1.157 56.966 58.100 0.039 0.000 1.103 322 Y CB 1.205 39.677 38.460 0.021 0.000 1.183 322 Y HN 0.158 nan 8.280 nan 0.000 0.433 323 S N 6.515 122.168 115.700 -0.078 0.000 2.595 323 S HA 0.841 4.956 4.470 -0.593 0.000 0.281 323 S C -1.668 172.875 174.600 -0.095 0.000 1.117 323 S CA -0.772 57.457 58.200 0.047 0.000 0.873 323 S CB 2.175 65.415 63.200 0.067 0.000 1.108 323 S HN 0.801 nan 8.310 nan 0.000 0.477 324 I N 1.364 121.965 120.570 0.053 0.000 2.722 324 I HA 0.561 4.376 4.170 -0.593 0.000 0.295 324 I C -1.720 174.435 176.117 0.063 0.000 1.161 324 I CA -1.354 59.962 61.300 0.027 0.000 1.032 324 I CB 1.682 39.731 38.000 0.082 0.000 1.244 324 I HN 0.797 nan 8.210 nan 0.000 0.421 325 I N 5.595 126.171 120.570 0.011 0.000 2.359 325 I HA 0.299 4.114 4.170 -0.593 0.000 0.294 325 I C -1.141 174.999 176.117 0.037 0.000 0.987 325 I CA -0.247 61.032 61.300 -0.034 0.000 1.225 325 I CB 1.531 39.431 38.000 -0.167 0.000 1.366 325 I HN 0.478 nan 8.210 nan 0.000 0.466 326 D N 7.427 127.839 120.400 0.020 0.000 2.471 326 D HA 0.427 4.712 4.640 -0.593 0.000 0.245 326 D C -0.768 175.516 176.300 -0.028 0.000 1.116 326 D CA -0.282 53.736 54.000 0.030 0.000 0.853 326 D CB 1.053 41.895 40.800 0.070 0.000 1.123 326 D HN 0.247 nan 8.370 nan 0.000 0.540 327 I N 3.942 124.520 120.570 0.014 0.000 2.304 327 I HA 0.283 4.097 4.170 -0.593 0.000 0.291 327 I C -0.258 175.865 176.117 0.010 0.000 1.018 327 I CA -0.580 60.709 61.300 -0.019 0.000 1.260 327 I CB 0.850 38.894 38.000 0.073 0.000 1.390 327 I HN 0.321 nan 8.210 nan 0.000 0.475 328 C N 4.655 123.956 119.300 0.001 0.000 2.329 328 C HA 0.442 4.547 4.460 -0.593 0.000 0.329 328 C C -0.184 174.937 174.990 0.217 0.000 1.275 328 C CA -0.793 58.292 59.018 0.112 0.000 1.726 328 C CB 0.739 28.574 27.740 0.158 0.000 2.291 328 C HN 0.584 nan 8.230 nan 0.000 0.514 329 D N 0.859 121.335 120.400 0.127 0.000 2.192 329 D HA 0.231 4.516 4.640 -0.593 0.000 0.246 329 D C -0.574 175.595 176.300 -0.217 0.000 1.042 329 D CA -0.184 53.834 54.000 0.030 0.000 0.847 329 D CB 1.047 41.842 40.800 -0.009 0.000 1.186 329 D HN 0.594 nan 8.370 nan 0.000 0.461 330 Y N 1.660 121.544 120.300 -0.693 0.000 2.402 330 Y HA 0.144 4.339 4.550 -0.593 0.000 0.333 330 Y C -0.052 175.501 175.900 -0.578 0.000 1.076 330 Y CA -0.243 57.144 58.100 -1.189 0.000 1.299 330 Y CB 0.657 38.255 38.460 -1.435 0.000 1.197 330 Y HN 0.148 nan 8.280 nan 0.000 0.517 331 D N 5.355 125.129 120.400 -1.044 0.000 2.443 331 D HA 0.115 4.399 4.640 -0.593 0.000 0.221 331 D C 0.480 176.213 176.300 -0.944 0.000 1.097 331 D CA -0.127 53.442 54.000 -0.718 0.000 0.865 331 D CB 0.720 41.225 40.800 -0.491 0.000 1.034 331 D HN 0.788 nan 8.370 nan 0.000 0.511 332 E N 1.298 121.131 120.200 -0.612 0.000 2.171 332 E HA -0.215 3.780 4.350 -0.593 0.000 0.197 332 E C 1.634 178.100 176.600 -0.222 0.000 0.997 332 E CA 1.366 57.565 56.400 -0.336 0.000 0.810 332 E CB 0.057 29.749 29.700 -0.014 0.000 0.738 332 E HN 0.555 nan 8.360 nan 0.000 0.467 333 S N -0.039 115.538 115.700 -0.205 0.000 2.489 333 S HA -0.067 4.048 4.470 -0.593 0.000 0.228 333 S C 1.957 176.481 174.600 -0.127 0.000 0.995 333 S CA 1.216 59.343 58.200 -0.122 0.000 0.934 333 S CB -0.053 63.091 63.200 -0.093 0.000 0.771 333 S HN 0.350 nan 8.310 nan 0.000 0.522 334 T N -4.507 109.919 114.554 -0.212 0.000 2.975 334 T HA 0.545 4.540 4.350 -0.593 0.000 0.261 334 T C 1.590 176.184 174.700 -0.177 0.000 0.984 334 T CA 0.686 62.690 62.100 -0.160 0.000 0.911 334 T CB 0.099 68.874 68.868 -0.155 0.000 1.127 334 T HN 1.137 nan 8.240 nan 0.000 0.514 335 G N 2.915 111.499 108.800 -0.361 0.000 2.179 335 G HA2 -0.285 3.320 3.960 -0.593 0.000 0.260 335 G HA3 -0.285 3.320 3.960 -0.593 0.000 0.260 335 G C 0.234 174.911 174.900 -0.372 0.000 0.977 335 G CA 0.191 45.142 45.100 -0.247 0.000 0.641 335 G HN 0.959 nan 8.290 nan 0.000 0.533 336 R N -0.973 119.162 120.500 -0.610 0.000 2.543 336 R HA 0.573 4.557 4.340 -0.593 0.000 0.268 336 R C -0.780 174.935 176.300 -0.975 0.000 1.067 336 R CA -0.760 54.720 56.100 -1.034 0.000 1.142 336 R CB 0.762 30.506 30.300 -0.925 0.000 1.110 336 R HN 0.148 nan 8.270 nan 0.000 0.549 337 W N 1.484 122.245 121.300 -0.899 0.000 2.294 337 W HA 0.445 4.750 4.660 -0.592 0.000 0.314 337 W C -0.369 176.044 176.519 -0.178 0.000 1.044 337 W CA -0.479 56.690 57.345 -0.294 0.000 1.284 337 W CB 0.867 30.284 29.460 -0.070 0.000 1.231 337 W HN 0.343 nan 8.180 nan 0.000 0.419 338 I N 3.078 123.629 120.570 -0.031 0.000 2.385 338 I HA 0.267 4.081 4.170 -0.593 0.000 0.294 338 I C 0.565 176.705 176.117 0.038 0.000 0.988 338 I CA -0.548 60.747 61.300 -0.009 0.000 1.265 338 I CB 1.512 39.463 38.000 -0.082 0.000 1.388 338 I HN 0.217 nan 8.210 nan 0.000 0.480 339 S N 4.333 120.056 115.700 0.039 0.000 2.525 339 S HA 0.636 4.751 4.470 -0.593 0.000 0.290 339 S C -0.551 174.051 174.600 0.003 0.000 1.152 339 S CA -0.405 57.811 58.200 0.026 0.000 1.072 339 S CB 1.291 64.504 63.200 0.021 0.000 1.027 339 S HN 0.682 nan 8.310 nan 0.000 0.500 340 S N 3.295 118.995 115.700 -0.001 0.000 2.540 340 S HA 0.429 4.543 4.470 -0.593 0.000 0.275 340 S C 0.728 175.313 174.600 -0.025 0.000 1.123 340 S CA -0.716 57.477 58.200 -0.012 0.000 0.907 340 S CB 1.223 64.420 63.200 -0.005 0.000 1.081 340 S HN 0.539 nan 8.310 nan 0.000 0.476 341 V N 3.637 123.530 119.914 -0.035 0.000 2.392 341 V HA -0.124 3.640 4.120 -0.593 0.000 0.249 341 V C 2.913 178.960 176.094 -0.078 0.000 1.059 341 V CA 2.521 64.789 62.300 -0.054 0.000 1.051 341 V CB -1.336 30.459 31.823 -0.047 0.000 0.658 341 V HN 0.988 nan 8.190 nan 0.000 0.455 342 A N -0.443 122.344 122.820 -0.055 0.000 2.125 342 A HA -0.154 3.810 4.320 -0.593 0.000 0.219 342 A C 2.164 179.706 177.584 -0.070 0.000 1.156 342 A CA 1.255 53.258 52.037 -0.058 0.000 0.671 342 A CB -0.369 18.620 19.000 -0.018 0.000 0.794 342 A HN 0.546 nan 8.150 nan 0.000 0.459 343 R N -0.553 119.924 120.500 -0.038 0.000 2.507 343 R HA 0.166 4.151 4.340 -0.593 0.000 0.298 343 R C -0.444 175.855 176.300 -0.002 0.000 0.999 343 R CA -0.031 56.102 56.100 0.056 0.000 1.082 343 R CB 0.320 30.682 30.300 0.103 0.000 1.246 343 R HN 0.604 nan 8.270 nan 0.000 0.553 344 Q N 0.204 119.878 119.800 -0.210 0.000 2.282 344 Q HA 0.293 4.278 4.340 -0.593 0.000 0.260 344 Q C -1.136 174.592 176.000 -0.453 0.000 0.964 344 Q CA -0.504 55.200 55.803 -0.166 0.000 0.880 344 Q CB 1.904 30.587 28.738 -0.092 0.000 1.286 344 Q HN 0.181 nan 8.270 nan 0.000 0.445 345 H N 1.026 120.080 119.070 -0.026 0.000 2.658 345 H HA 0.434 4.634 4.556 -0.593 0.000 0.337 345 H C -0.878 174.396 175.328 -0.090 0.000 1.009 345 H CA -0.404 55.620 56.048 -0.040 0.000 1.231 345 H CB 1.029 30.745 29.762 -0.076 0.000 1.508 345 H HN 0.437 nan 8.280 nan 0.000 0.517 346 I N 1.970 122.524 120.570 -0.027 0.000 2.428 346 I HA 0.265 4.079 4.170 -0.593 0.000 0.296 346 I C 0.083 176.120 176.117 -0.133 0.000 0.985 346 I CA -0.267 60.937 61.300 -0.161 0.000 1.260 346 I CB 1.385 39.249 38.000 -0.227 0.000 1.389 346 I HN 0.579 nan 8.210 nan 0.000 0.484 347 E N 7.244 127.314 120.200 -0.216 0.000 2.263 347 E HA 0.605 4.600 4.350 -0.593 0.000 0.268 347 E C -1.446 175.045 176.600 -0.181 0.000 0.884 347 E CA -0.579 55.750 56.400 -0.119 0.000 0.766 347 E CB 1.993 31.663 29.700 -0.050 0.000 1.196 347 E HN 0.615 nan 8.360 nan 0.000 0.416 348 I N -0.128 120.375 120.570 -0.111 0.000 3.145 348 I HA 0.726 4.541 4.170 -0.593 0.000 0.313 348 I C -0.997 175.104 176.117 -0.027 0.000 1.122 348 I CA -0.891 60.364 61.300 -0.075 0.000 0.987 348 I CB 2.332 40.301 38.000 -0.051 0.000 1.236 348 I HN 0.359 nan 8.210 nan 0.000 0.453 349 S N 0.247 115.939 115.700 -0.013 0.000 2.571 349 S HA 0.477 4.591 4.470 -0.593 0.000 0.284 349 S C 0.274 174.855 174.600 -0.033 0.000 1.128 349 S CA 0.115 58.293 58.200 -0.036 0.000 0.970 349 S CB 1.544 64.689 63.200 -0.092 0.000 1.039 349 S HN 0.920 nan 8.310 nan 0.000 0.485 350 T N 0.008 114.545 114.554 -0.029 0.000 3.037 350 T HA 0.057 4.051 4.350 -0.593 0.000 0.252 350 T C 1.434 176.110 174.700 -0.042 0.000 1.073 350 T CA 0.957 63.043 62.100 -0.023 0.000 1.091 350 T CB -0.410 68.452 68.868 -0.011 0.000 0.935 350 T HN 0.673 nan 8.240 nan 0.000 0.488 351 T N -2.188 112.334 114.554 -0.053 0.000 3.040 351 T HA 0.633 4.627 4.350 -0.593 0.000 0.250 351 T C 1.138 175.695 174.700 -0.239 0.000 1.058 351 T CA 0.313 62.382 62.100 -0.052 0.000 0.988 351 T CB 0.477 69.381 68.868 0.061 0.000 0.993 351 T HN 0.630 nan 8.240 nan 0.000 0.519 352 G N 0.642 109.155 108.800 -0.479 0.000 2.818 352 G HA2 0.458 4.062 3.960 -0.593 0.000 0.109 352 G HA3 0.458 4.062 3.960 -0.593 0.000 0.109 352 G C -1.712 172.952 174.900 -0.393 0.000 1.206 352 G CA -0.449 44.207 45.100 -0.740 0.000 1.243 352 G HN 0.515 nan 8.290 nan 0.000 0.609 353 W N 0.004 120.991 121.300 -0.522 0.000 2.594 353 W HA 0.807 5.114 4.660 -0.590 0.000 0.365 353 W C -0.477 175.982 176.519 -0.101 0.000 1.196 353 W CA -1.400 55.801 57.345 -0.240 0.000 1.258 353 W CB 1.084 30.390 29.460 -0.256 0.000 1.405 353 W HN 0.286 nan 8.180 nan 0.000 0.640 354 V N 3.329 123.303 119.914 0.099 0.000 2.461 354 V HA 0.622 4.387 4.120 -0.593 0.000 0.275 354 V C 0.905 177.069 176.094 0.116 0.000 1.047 354 V CA 0.803 63.131 62.300 0.047 0.000 0.955 354 V CB -0.011 31.852 31.823 0.065 0.000 0.988 354 V HN 1.281 nan 8.190 nan 0.000 0.471 355 G N 5.684 114.504 108.800 0.033 0.000 2.693 355 G HA2 -0.217 3.388 3.960 -0.593 0.000 0.226 355 G HA3 -0.217 3.388 3.960 -0.593 0.000 0.226 355 G C 0.380 175.341 174.900 0.101 0.000 1.354 355 G CA 0.434 45.578 45.100 0.073 0.000 0.873 355 G HN 0.627 nan 8.290 nan 0.000 0.562 356 R N -1.471 119.096 120.500 0.111 0.000 2.048 356 R HA 0.327 4.311 4.340 -0.593 0.000 0.221 356 R C 2.096 178.353 176.300 -0.072 0.000 1.174 356 R CA 1.742 57.849 56.100 0.012 0.000 0.971 356 R CB -0.079 30.222 30.300 0.002 0.000 0.863 356 R HN 0.401 nan 8.270 nan 0.000 0.439 357 F N 0.024 120.125 119.950 0.251 0.000 2.728 357 F HA 0.300 4.472 4.527 -0.592 0.000 0.314 357 F C 0.261 176.136 175.800 0.125 0.000 1.094 357 F CA -0.407 57.710 58.000 0.196 0.000 1.217 357 F CB 0.745 39.869 39.000 0.207 0.000 1.056 357 F HN -0.049 nan 8.300 nan 0.000 0.577 358 R N -0.942 119.722 120.500 0.274 0.000 2.765 358 R HA 0.362 4.347 4.340 -0.593 0.000 0.277 358 R C -3.380 173.017 176.300 0.161 0.000 1.028 358 R CA -1.760 54.451 56.100 0.185 0.000 0.860 358 R CB 0.390 30.793 30.300 0.171 0.000 1.270 358 R HN -0.359 nan 8.270 nan 0.000 0.484 359 P HA 0.094 nan 4.420 nan 0.000 0.271 359 P C -0.291 177.057 177.300 0.080 0.000 1.216 359 P CA -0.035 63.117 63.100 0.087 0.000 0.776 359 P CB 0.890 32.623 31.700 0.055 0.000 0.881 360 A N 3.626 126.497 122.820 0.086 0.000 2.483 360 A HA 0.099 4.063 4.320 -0.593 0.000 0.238 360 A C 0.641 178.265 177.584 0.066 0.000 1.070 360 A CA -0.106 51.994 52.037 0.106 0.000 0.770 360 A CB -0.201 18.875 19.000 0.127 0.000 1.008 360 A HN 0.498 nan 8.150 nan 0.000 0.497 361 E N 2.104 122.351 120.200 0.079 0.000 2.343 361 E HA 0.324 4.318 4.350 -0.593 0.000 0.269 361 E C -2.378 174.218 176.600 -0.007 0.000 1.047 361 E CA -1.717 54.673 56.400 -0.018 0.000 0.874 361 E CB 0.456 30.122 29.700 -0.057 0.000 1.033 361 E HN 0.477 nan 8.360 nan 0.000 0.409 362 P HA 0.177 nan 4.420 nan 0.000 0.284 362 P C -0.668 176.519 177.300 -0.189 0.000 1.253 362 P CA -0.134 62.845 63.100 -0.202 0.000 0.800 362 P CB 0.839 32.108 31.700 -0.718 0.000 0.961 363 H N 2.844 121.947 119.070 0.055 0.000 2.685 363 H HA 0.283 4.484 4.556 -0.593 0.000 0.307 363 H C -0.177 175.275 175.328 0.207 0.000 1.017 363 H CA -0.339 55.819 56.048 0.184 0.000 1.237 363 H CB 0.300 30.185 29.762 0.204 0.000 1.409 363 H HN 0.308 nan 8.280 nan 0.000 0.488 364 F N 1.654 121.763 119.950 0.264 0.000 2.382 364 F HA 0.073 4.244 4.527 -0.593 0.000 0.331 364 F C 1.623 177.595 175.800 0.287 0.000 1.121 364 F CA -0.497 57.673 58.000 0.283 0.000 1.183 364 F CB 0.923 40.020 39.000 0.162 0.000 1.207 364 F HN 0.361 nan 8.300 nan 0.000 0.555 365 T N -1.916 112.920 114.554 0.470 0.000 2.766 365 T HA 0.059 4.053 4.350 -0.593 0.000 0.295 365 T C 1.352 176.234 174.700 0.304 0.000 1.024 365 T CA -0.194 62.119 62.100 0.355 0.000 1.018 365 T CB 1.121 70.174 68.868 0.309 0.000 1.002 365 T HN 0.624 nan 8.240 nan 0.000 0.532 366 S N 0.698 116.535 115.700 0.229 0.000 2.387 366 S HA -0.208 3.907 4.470 -0.593 0.000 0.230 366 S C 1.516 176.222 174.600 0.177 0.000 1.035 366 S CA 2.109 60.421 58.200 0.187 0.000 1.014 366 S CB -1.106 62.182 63.200 0.148 0.000 0.836 366 S HN 0.925 nan 8.310 nan 0.000 0.466 367 D N -0.903 119.604 120.400 0.178 0.000 2.277 367 D HA 0.234 4.519 4.640 -0.593 0.000 0.208 367 D C 1.498 177.907 176.300 0.182 0.000 0.962 367 D CA 0.803 54.898 54.000 0.159 0.000 0.865 367 D CB -0.717 40.168 40.800 0.140 0.000 0.939 367 D HN 0.530 nan 8.370 nan 0.000 0.510 368 G N 0.256 109.207 108.800 0.251 0.000 2.143 368 G HA2 -0.371 3.233 3.960 -0.593 0.000 0.249 368 G HA3 -0.371 3.233 3.960 -0.593 0.000 0.249 368 G C 0.646 175.755 174.900 0.347 0.000 0.981 368 G CA 0.361 45.649 45.100 0.312 0.000 0.665 368 G HN 0.439 nan 8.290 nan 0.000 0.528 369 N N -0.031 118.831 118.700 0.271 0.000 2.463 369 N HA 0.296 4.681 4.740 -0.593 0.000 0.181 369 N C 0.940 176.571 175.510 0.201 0.000 1.078 369 N CA 0.789 53.968 53.050 0.215 0.000 0.902 369 N CB 0.216 38.791 38.487 0.148 0.000 0.970 369 N HN 0.719 nan 8.380 nan 0.000 0.451 370 S N -0.428 115.413 115.700 0.234 0.000 2.625 370 S HA 0.690 4.804 4.470 -0.593 0.000 0.271 370 S C -1.287 173.345 174.600 0.054 0.000 1.161 370 S CA -1.111 57.118 58.200 0.049 0.000 0.820 370 S CB 1.359 64.537 63.200 -0.035 0.000 1.137 370 S HN 0.160 nan 8.310 nan 0.000 0.470 371 F N -1.842 117.886 119.950 -0.369 0.000 2.686 371 F HA 0.842 5.014 4.527 -0.592 0.000 0.311 371 F C -2.218 173.352 175.800 -0.383 0.000 1.128 371 F CA -1.488 56.223 58.000 -0.483 0.000 0.946 371 F CB 0.679 38.917 39.000 -1.271 0.000 1.336 371 F HN 0.610 nan 8.300 nan 0.000 0.457 372 Y N 1.176 121.575 120.300 0.165 0.000 2.393 372 Y HA 0.685 4.879 4.550 -0.593 0.000 0.341 372 Y C -0.337 175.715 175.900 0.254 0.000 0.988 372 Y CA -0.898 57.292 58.100 0.150 0.000 1.078 372 Y CB 2.246 40.759 38.460 0.088 0.000 1.203 372 Y HN 0.765 nan 8.280 nan 0.000 0.453 373 K N 3.074 123.692 120.400 0.363 0.000 2.543 373 K HA 0.519 4.484 4.320 -0.593 0.000 0.255 373 K C -1.794 174.948 176.600 0.236 0.000 0.934 373 K CA -0.571 55.902 56.287 0.310 0.000 0.810 373 K CB 1.590 34.260 32.500 0.282 0.000 1.315 373 K HN 0.734 nan 8.250 nan 0.000 0.433 374 I N 6.116 126.795 120.570 0.181 0.000 2.471 374 I HA 0.241 4.056 4.170 -0.593 0.000 0.286 374 I C 0.240 176.445 176.117 0.147 0.000 1.079 374 I CA -0.169 61.213 61.300 0.138 0.000 1.398 374 I CB 0.312 38.369 38.000 0.095 0.000 1.403 374 I HN 0.488 nan 8.210 nan 0.000 0.530 375 I N 1.338 122.017 120.570 0.182 0.000 3.095 375 I HA 0.492 4.307 4.170 -0.593 0.000 0.310 375 I C -0.437 175.784 176.117 0.174 0.000 1.196 375 I CA -0.866 60.538 61.300 0.174 0.000 0.985 375 I CB 2.103 40.238 38.000 0.225 0.000 1.250 375 I HN 0.224 nan 8.210 nan 0.000 0.446 376 S N 2.914 118.662 115.700 0.080 0.000 2.531 376 S HA 0.186 4.301 4.470 -0.593 0.000 0.279 376 S C 0.027 174.659 174.600 0.053 0.000 1.305 376 S CA -0.505 57.692 58.200 -0.005 0.000 1.058 376 S CB 0.127 63.277 63.200 -0.084 0.000 0.899 376 S HN 0.789 nan 8.310 nan 0.000 0.493 377 N N 2.477 121.100 118.700 -0.129 0.000 2.443 377 N HA 0.157 4.541 4.740 -0.593 0.000 0.294 377 N C 0.454 175.856 175.510 -0.181 0.000 1.289 377 N CA -0.508 52.312 53.050 -0.382 0.000 0.966 377 N CB -0.064 37.842 38.487 -0.968 0.000 1.122 377 N HN 0.367 nan 8.380 nan 0.000 0.569 378 E N -1.010 119.071 120.200 -0.197 0.000 2.338 378 E HA -0.070 3.925 4.350 -0.593 0.000 0.197 378 E C 0.540 177.084 176.600 -0.093 0.000 1.007 378 E CA 1.051 57.390 56.400 -0.101 0.000 0.849 378 E CB -0.244 29.406 29.700 -0.084 0.000 0.774 378 E HN 0.686 nan 8.360 nan 0.000 0.506 379 E N -0.593 119.547 120.200 -0.099 0.000 2.474 379 E HA 0.233 4.228 4.350 -0.593 0.000 0.195 379 E C 0.785 177.361 176.600 -0.040 0.000 1.039 379 E CA 0.438 56.828 56.400 -0.017 0.000 0.881 379 E CB 0.575 30.314 29.700 0.064 0.000 0.970 379 E HN 0.280 nan 8.360 nan 0.000 0.486 380 G N 0.311 109.031 108.800 -0.134 0.000 2.132 380 G HA2 -0.294 3.310 3.960 -0.593 0.000 0.234 380 G HA3 -0.294 3.310 3.960 -0.593 0.000 0.234 380 G C -0.514 174.109 174.900 -0.463 0.000 0.989 380 G CA -0.177 44.748 45.100 -0.292 0.000 0.676 380 G HN 0.243 nan 8.290 nan 0.000 0.522 381 Y N 0.355 120.527 120.300 -0.214 0.000 2.352 381 Y HA 0.537 4.732 4.550 -0.592 0.000 0.339 381 Y C 0.834 176.555 175.900 -0.299 0.000 0.992 381 Y CA -0.891 57.060 58.100 -0.248 0.000 1.100 381 Y CB 1.375 39.709 38.460 -0.210 0.000 1.192 381 Y HN -0.024 nan 8.280 nan 0.000 0.458 382 K N 4.575 124.824 120.400 -0.252 0.000 2.349 382 K HA 0.222 4.186 4.320 -0.593 0.000 0.289 382 K C -0.770 175.516 176.600 -0.523 0.000 1.064 382 K CA -0.056 56.079 56.287 -0.253 0.000 0.947 382 K CB 0.197 32.598 32.500 -0.165 0.000 1.007 382 K HN 0.645 nan 8.250 nan 0.000 0.478 383 H N 1.400 120.431 119.070 -0.066 0.000 2.949 383 H HA 0.349 4.550 4.556 -0.592 0.000 0.356 383 H C -0.140 175.239 175.328 0.085 0.000 1.212 383 H CA -0.926 55.062 56.048 -0.100 0.000 1.136 383 H CB 1.430 31.032 29.762 -0.266 0.000 1.869 383 H HN 0.345 nan 8.280 nan 0.000 0.556 384 I N 1.350 121.992 120.570 0.120 0.000 2.452 384 I HA 0.026 3.841 4.170 -0.593 0.000 0.287 384 I C 0.369 176.508 176.117 0.037 0.000 1.079 384 I CA 0.175 61.508 61.300 0.055 0.000 1.387 384 I CB 0.308 38.251 38.000 -0.096 0.000 1.404 384 I HN 0.144 nan 8.210 nan 0.000 0.522 385 c N 6.833 125.373 118.600 -0.099 0.000 2.411 385 c HA 0.332 4.547 4.570 -0.593 0.000 0.330 385 c C 0.016 173.890 174.090 -0.359 0.000 1.224 385 c CA -0.423 55.586 56.329 -0.534 0.000 1.770 385 c CB 0.745 42.628 42.510 -1.045 0.000 2.297 385 c HN 0.746 nan 8.230 nan 0.000 0.507 386 H N 3.954 122.649 119.070 -0.624 0.000 2.552 386 H HA 0.497 4.697 4.556 -0.593 0.000 0.311 386 H C -1.343 173.468 175.328 -0.863 0.000 1.071 386 H CA -0.221 55.403 56.048 -0.707 0.000 1.307 386 H CB 0.559 30.026 29.762 -0.492 0.000 1.416 386 H HN 0.583 nan 8.280 nan 0.000 0.464 387 F N 2.409 121.594 119.950 -1.275 0.000 2.492 387 F HA 0.172 4.343 4.527 -0.592 0.000 0.327 387 F C 0.155 175.239 175.800 -1.193 0.000 1.079 387 F CA -0.883 56.334 58.000 -1.305 0.000 0.967 387 F CB 1.867 39.715 39.000 -1.921 0.000 1.169 387 F HN 0.509 nan 8.300 nan 0.000 0.472 388 Q N 0.667 120.160 119.800 -0.511 0.000 2.278 388 Q HA 0.282 4.267 4.340 -0.593 0.000 0.257 388 Q C 0.889 176.869 176.000 -0.033 0.000 0.928 388 Q CA 0.110 55.744 55.803 -0.281 0.000 0.932 388 Q CB 1.671 30.309 28.738 -0.166 0.000 1.221 388 Q HN 0.768 nan 8.270 nan 0.000 0.434 389 T N 1.894 116.505 114.554 0.095 0.000 2.737 389 T HA -0.184 3.810 4.350 -0.593 0.000 0.269 389 T C 0.364 175.297 174.700 0.389 0.000 1.040 389 T CA 1.923 64.228 62.100 0.342 0.000 1.142 389 T CB -0.097 69.005 68.868 0.389 0.000 0.861 389 T HN 0.769 nan 8.240 nan 0.000 0.456 390 D N -0.125 120.408 120.400 0.223 0.000 2.463 390 D HA 0.144 4.428 4.640 -0.593 0.000 0.224 390 D C 0.196 176.554 176.300 0.096 0.000 1.174 390 D CA -0.243 53.849 54.000 0.154 0.000 0.829 390 D CB 0.204 41.060 40.800 0.094 0.000 0.993 390 D HN 0.071 nan 8.370 nan 0.000 0.497 391 K N -0.353 120.130 120.400 0.139 0.000 2.435 391 K HA 0.315 4.280 4.320 -0.593 0.000 0.251 391 K C 0.663 177.332 176.600 0.116 0.000 0.954 391 K CA -0.483 55.841 56.287 0.061 0.000 0.820 391 K CB 1.994 34.495 32.500 0.002 0.000 1.292 391 K HN -0.008 nan 8.250 nan 0.000 0.436 392 S N -0.260 115.463 115.700 0.038 0.000 2.458 392 S HA -0.073 4.041 4.470 -0.593 0.000 0.223 392 S C 0.540 175.185 174.600 0.076 0.000 1.019 392 S CA 0.096 58.342 58.200 0.077 0.000 0.937 392 S CB -0.518 62.680 63.200 -0.003 0.000 0.788 392 S HN 0.716 nan 8.310 nan 0.000 0.511 393 N N 1.164 119.840 118.700 -0.040 0.000 2.513 393 N HA 0.492 4.877 4.740 -0.593 0.000 0.274 393 N C -0.104 175.201 175.510 -0.342 0.000 1.189 393 N CA -0.465 52.495 53.050 -0.149 0.000 0.975 393 N CB 0.979 39.388 38.487 -0.130 0.000 1.157 393 N HN 0.528 nan 8.380 nan 0.000 0.465 394 c N -1.392 116.871 118.600 -0.562 0.000 3.044 394 c HA 0.781 4.995 4.570 -0.593 0.000 0.315 394 c C -0.583 173.103 174.090 -0.673 0.000 1.320 394 c CA -0.695 55.089 56.329 -0.909 0.000 1.582 394 c CB 1.183 42.537 42.510 -1.926 0.000 2.039 394 c HN 0.739 nan 8.230 nan 0.000 0.466 395 T N 1.641 115.821 114.554 -0.622 0.000 2.841 395 T HA 0.542 4.537 4.350 -0.593 0.000 0.285 395 T C -0.868 173.560 174.700 -0.453 0.000 0.991 395 T CA 0.106 61.981 62.100 -0.375 0.000 0.966 395 T CB 0.580 69.384 68.868 -0.107 0.000 0.962 395 T HN 0.485 nan 8.240 nan 0.000 0.438 396 F N 3.258 123.061 119.950 -0.244 0.000 2.484 396 F HA 0.283 4.454 4.527 -0.593 0.000 0.360 396 F C 1.646 177.233 175.800 -0.356 0.000 1.101 396 F CA -0.759 57.080 58.000 -0.267 0.000 1.251 396 F CB 0.502 39.362 39.000 -0.234 0.000 1.132 396 F HN 0.566 nan 8.300 nan 0.000 0.570 397 I N -0.734 119.675 120.570 -0.270 0.000 4.057 397 I HA 0.243 4.058 4.170 -0.593 0.000 0.334 397 I C 0.062 176.032 176.117 -0.246 0.000 1.308 397 I CA 0.091 61.057 61.300 -0.557 0.000 1.125 397 I CB 0.113 37.523 38.000 -0.984 0.000 1.034 397 I HN 0.495 nan 8.210 nan 0.000 0.401 398 T N -0.479 113.972 114.554 -0.171 0.000 2.906 398 T HA 0.631 4.625 4.350 -0.593 0.000 0.295 398 T C -0.794 173.542 174.700 -0.606 0.000 1.061 398 T CA -0.682 61.300 62.100 -0.197 0.000 1.000 398 T CB 2.918 71.738 68.868 -0.079 0.000 1.103 398 T HN 0.309 nan 8.240 nan 0.000 0.486 399 K N 0.316 120.188 120.400 -0.879 0.000 2.578 399 K HA 0.610 4.575 4.320 -0.593 0.000 0.269 399 K C -0.950 175.033 176.600 -1.028 0.000 0.941 399 K CA -0.224 55.288 56.287 -1.291 0.000 0.847 399 K CB 1.599 33.724 32.500 -0.625 0.000 1.397 399 K HN 1.476 nan 8.250 nan 0.000 0.422 400 G N 0.547 108.701 108.800 -1.078 0.000 2.353 400 G HA2 0.343 3.948 3.960 -0.593 0.000 0.308 400 G HA3 0.343 3.948 3.960 -0.593 0.000 0.308 400 G C -1.340 173.005 174.900 -0.926 0.000 1.418 400 G CA -0.345 44.327 45.100 -0.714 0.000 0.966 400 G HN 0.631 nan 8.290 nan 0.000 0.638 401 A N 1.009 123.459 122.820 -0.616 0.000 3.074 401 A HA 0.609 4.573 4.320 -0.593 0.000 0.251 401 A C 0.340 177.728 177.584 -0.327 0.000 1.695 401 A CA 0.623 52.103 52.037 -0.927 0.000 1.343 401 A CB -1.266 17.491 19.000 -0.405 0.000 1.078 401 A HN 1.611 nan 8.150 nan 0.000 0.644 402 W N -1.118 120.015 121.300 -0.277 0.000 2.826 402 W HA 0.654 4.958 4.660 -0.593 0.000 0.410 402 W C -1.077 175.459 176.519 0.028 0.000 1.128 402 W CA -0.773 56.579 57.345 0.011 0.000 1.176 402 W CB 0.364 29.827 29.460 0.005 0.000 1.475 402 W HN 0.217 nan 8.180 nan 0.000 0.588 403 E N 0.620 121.026 120.200 0.343 0.000 2.367 403 E HA 0.459 4.453 4.350 -0.593 0.000 0.273 403 E C -1.322 175.407 176.600 0.214 0.000 0.903 403 E CA -1.139 55.257 56.400 -0.007 0.000 0.764 403 E CB 3.383 33.107 29.700 0.039 0.000 1.252 403 E HN 0.139 nan 8.360 nan 0.000 0.446 404 V N 3.495 123.402 119.914 -0.011 0.000 2.461 404 V HA 0.033 3.798 4.120 -0.593 0.000 0.275 404 V C 1.107 177.294 176.094 0.155 0.000 1.047 404 V CA -0.108 62.275 62.300 0.137 0.000 0.955 404 V CB 0.745 32.539 31.823 -0.047 0.000 0.988 404 V HN 0.671 nan 8.190 nan 0.000 0.471 405 I N 3.249 123.951 120.570 0.219 0.000 2.339 405 I HA 0.243 4.058 4.170 -0.593 0.000 0.245 405 I C 1.140 177.382 176.117 0.210 0.000 1.096 405 I CA 1.196 62.631 61.300 0.226 0.000 1.408 405 I CB -0.910 37.181 38.000 0.153 0.000 1.092 405 I HN 0.734 nan 8.210 nan 0.000 0.423 406 G N 0.448 109.367 108.800 0.199 0.000 2.646 406 G HA2 0.583 4.188 3.960 -0.593 0.000 0.291 406 G HA3 0.583 4.188 3.960 -0.593 0.000 0.291 406 G C -1.324 173.655 174.900 0.133 0.000 1.445 406 G CA -0.543 44.660 45.100 0.170 0.000 0.814 406 G HN -0.036 nan 8.290 nan 0.000 0.495 407 I N 1.364 121.926 120.570 -0.012 0.000 2.315 407 I HA 0.271 4.086 4.170 -0.593 0.000 0.291 407 I C 0.693 176.715 176.117 -0.159 0.000 1.006 407 I CA -0.578 60.606 61.300 -0.194 0.000 1.265 407 I CB 1.939 39.533 38.000 -0.676 0.000 1.387 407 I HN 0.470 nan 8.210 nan 0.000 0.475 408 E N 4.485 124.670 120.200 -0.025 0.000 2.166 408 E HA 0.292 4.286 4.350 -0.593 0.000 0.192 408 E C 0.146 176.690 176.600 -0.093 0.000 0.967 408 E CA 0.358 56.773 56.400 0.024 0.000 0.840 408 E CB 0.762 30.526 29.700 0.107 0.000 0.795 408 E HN 0.730 nan 8.360 nan 0.000 0.470 409 A N 0.175 122.853 122.820 -0.237 0.000 2.612 409 A HA 0.628 4.593 4.320 -0.593 0.000 0.293 409 A C -1.929 175.599 177.584 -0.094 0.000 1.075 409 A CA -0.589 51.271 52.037 -0.294 0.000 0.680 409 A CB 1.350 19.770 19.000 -0.966 0.000 1.279 409 A HN 0.038 nan 8.150 nan 0.000 0.411 410 L N 0.967 122.186 121.223 -0.007 0.000 2.464 410 L HA 0.831 4.816 4.340 -0.593 0.000 0.266 410 L C 0.034 176.958 176.870 0.090 0.000 0.965 410 L CA 0.539 55.411 54.840 0.054 0.000 0.833 410 L CB 2.217 44.335 42.059 0.098 0.000 1.296 410 L HN 1.285 nan 8.230 nan 0.000 0.405 411 T N -0.584 114.035 114.554 0.108 0.000 2.858 411 T HA 0.422 4.417 4.350 -0.593 0.000 0.285 411 T C 0.975 175.722 174.700 0.078 0.000 1.052 411 T CA 0.078 62.250 62.100 0.120 0.000 1.009 411 T CB 1.156 70.135 68.868 0.184 0.000 1.241 411 T HN 0.686 nan 8.240 nan 0.000 0.542 412 S N -0.186 115.554 115.700 0.067 0.000 2.419 412 S HA -0.093 4.021 4.470 -0.593 0.000 0.233 412 S C 0.783 175.351 174.600 -0.053 0.000 1.016 412 S CA 1.229 59.448 58.200 0.032 0.000 0.974 412 S CB -0.519 62.702 63.200 0.035 0.000 0.786 412 S HN 0.750 nan 8.310 nan 0.000 0.492 413 D N -0.878 119.448 120.400 -0.124 0.000 2.454 413 D HA 0.260 4.545 4.640 -0.593 0.000 0.214 413 D C -0.568 175.323 176.300 -0.682 0.000 1.088 413 D CA 0.287 54.036 54.000 -0.418 0.000 0.855 413 D CB 0.371 40.820 40.800 -0.585 0.000 1.025 413 D HN 0.461 nan 8.370 nan 0.000 0.502 414 Y N 0.233 120.475 120.300 -0.097 0.000 2.553 414 Y HA 0.440 4.634 4.550 -0.593 0.000 0.347 414 Y C -0.618 175.129 175.900 -0.255 0.000 1.019 414 Y CA -1.309 56.656 58.100 -0.225 0.000 1.032 414 Y CB 2.296 40.532 38.460 -0.373 0.000 1.284 414 Y HN -0.266 nan 8.280 nan 0.000 0.466 415 L N 2.758 123.879 121.223 -0.170 0.000 2.362 415 L HA 0.587 4.571 4.340 -0.593 0.000 0.275 415 L C -2.060 174.698 176.870 -0.187 0.000 0.998 415 L CA -1.279 53.457 54.840 -0.174 0.000 0.820 415 L CB 0.809 42.694 42.059 -0.291 0.000 1.270 415 L HN 0.652 nan 8.230 nan 0.000 0.415 416 Y N 5.528 125.743 120.300 -0.142 0.000 2.377 416 Y HA 0.635 4.829 4.550 -0.593 0.000 0.339 416 Y C -0.274 175.605 175.900 -0.035 0.000 1.011 416 Y CA -0.317 57.677 58.100 -0.176 0.000 1.093 416 Y CB 1.655 39.844 38.460 -0.452 0.000 1.201 416 Y HN 0.613 nan 8.280 nan 0.000 0.455 417 Y N 0.484 120.842 120.300 0.096 0.000 2.655 417 Y HA 0.799 4.993 4.550 -0.593 0.000 0.336 417 Y C -1.899 174.095 175.900 0.156 0.000 1.154 417 Y CA -1.833 56.317 58.100 0.083 0.000 1.055 417 Y CB 1.155 39.642 38.460 0.044 0.000 1.295 417 Y HN 0.290 nan 8.280 nan 0.000 0.465 418 I N 2.957 123.726 120.570 0.332 0.000 2.441 418 I HA 0.619 4.433 4.170 -0.593 0.000 0.295 418 I C -0.264 176.069 176.117 0.359 0.000 0.994 418 I CA -0.355 61.091 61.300 0.244 0.000 1.144 418 I CB 1.570 39.669 38.000 0.166 0.000 1.314 418 I HN 0.898 nan 8.210 nan 0.000 0.445 419 S N 3.839 119.719 115.700 0.301 0.000 2.671 419 S HA 0.457 4.572 4.470 -0.593 0.000 0.277 419 S C -0.374 174.309 174.600 0.137 0.000 1.165 419 S CA -0.784 57.576 58.200 0.267 0.000 0.822 419 S CB 1.966 65.347 63.200 0.301 0.000 1.150 419 S HN 0.597 nan 8.310 nan 0.000 0.479 420 N N -0.387 118.390 118.700 0.127 0.000 2.321 420 N HA 0.147 4.532 4.740 -0.593 0.000 0.242 420 N C 0.567 176.071 175.510 -0.010 0.000 1.141 420 N CA -0.228 52.851 53.050 0.049 0.000 0.864 420 N CB 0.247 38.757 38.487 0.039 0.000 1.100 420 N HN 0.819 nan 8.380 nan 0.000 0.510 421 E N 0.263 120.304 120.200 -0.266 0.000 2.077 421 E HA -0.236 3.758 4.350 -0.593 0.000 0.193 421 E C -0.176 176.267 176.600 -0.263 0.000 0.989 421 E CA 0.496 56.472 56.400 -0.706 0.000 0.800 421 E CB -0.167 28.513 29.700 -1.700 0.000 0.746 421 E HN 0.511 nan 8.360 nan 0.000 0.452 422 H N 0.858 119.848 119.070 -0.134 0.000 3.157 422 H HA -0.051 4.149 4.556 -0.593 0.000 0.299 422 H C 0.086 175.391 175.328 -0.038 0.000 0.961 422 H CA 1.115 57.132 56.048 -0.050 0.000 1.428 422 H CB 0.189 29.948 29.762 -0.004 0.000 1.459 422 H HN 0.086 nan 8.280 nan 0.000 0.566 423 K N 2.986 123.134 120.400 -0.420 0.000 3.349 423 K HA -0.194 3.770 4.320 -0.593 0.000 0.310 423 K C 0.987 177.560 176.600 -0.046 0.000 1.267 423 K CA 1.176 57.313 56.287 -0.250 0.000 0.920 423 K CB -1.531 30.837 32.500 -0.221 0.000 1.240 423 K HN 1.094 nan 8.250 nan 0.000 0.453 424 G N 0.462 109.243 108.800 -0.031 0.000 2.258 424 G HA2 -0.352 3.252 3.960 -0.593 0.000 0.274 424 G HA3 -0.352 3.252 3.960 -0.593 0.000 0.274 424 G C 0.035 175.002 174.900 0.112 0.000 1.021 424 G CA 0.848 45.993 45.100 0.075 0.000 0.798 424 G HN 0.546 nan 8.290 nan 0.000 0.507 425 M N -1.237 118.339 119.600 -0.040 0.000 2.066 425 M HA 0.513 4.637 4.480 -0.593 0.000 0.340 425 M C -1.327 174.770 176.300 -0.339 0.000 1.053 425 M CA -2.338 52.753 55.300 -0.349 0.000 0.983 425 M CB 1.973 34.262 32.600 -0.518 0.000 1.520 425 M HN -0.102 nan 8.290 nan 0.000 0.428 426 P HA -0.099 nan 4.420 nan 0.000 0.221 426 P C 1.106 178.290 177.300 -0.193 0.000 1.145 426 P CA 1.713 64.712 63.100 -0.169 0.000 0.795 426 P CB -0.056 31.605 31.700 -0.065 0.000 0.775 427 G N -0.737 107.869 108.800 -0.322 0.000 3.233 427 G HA2 0.317 3.921 3.960 -0.593 0.000 0.227 427 G HA3 0.317 3.921 3.960 -0.593 0.000 0.227 427 G C 0.638 175.525 174.900 -0.021 0.000 1.175 427 G CA 0.105 45.121 45.100 -0.140 0.000 0.781 427 G HN 0.444 nan 8.290 nan 0.000 0.542 428 G N -0.182 108.552 108.800 -0.110 0.000 2.454 428 G HA2 0.660 4.264 3.960 -0.593 0.000 0.329 428 G HA3 0.660 4.264 3.960 -0.593 0.000 0.329 428 G C -0.849 173.938 174.900 -0.188 0.000 1.177 428 G CA -0.804 44.265 45.100 -0.051 0.000 0.951 428 G HN 0.094 nan 8.290 nan 0.000 0.485 429 R N 1.160 121.530 120.500 -0.218 0.000 2.533 429 R HA 0.408 4.392 4.340 -0.593 0.000 0.288 429 R C -1.309 174.991 176.300 0.001 0.000 1.039 429 R CA -0.797 55.166 56.100 -0.230 0.000 0.909 429 R CB 2.157 32.090 30.300 -0.612 0.000 1.195 429 R HN 0.579 nan 8.270 nan 0.000 0.438 430 N N 1.667 120.385 118.700 0.029 0.000 2.284 430 N HA 0.352 4.736 4.740 -0.593 0.000 0.289 430 N C -1.254 174.165 175.510 -0.152 0.000 1.179 430 N CA -0.831 52.148 53.050 -0.117 0.000 0.774 430 N CB 2.735 41.029 38.487 -0.322 0.000 1.548 430 N HN 0.272 nan 8.380 nan 0.000 0.473 431 L N 2.199 123.186 121.223 -0.394 0.000 2.276 431 L HA 0.466 4.450 4.340 -0.593 0.000 0.286 431 L C -1.465 175.065 176.870 -0.568 0.000 1.061 431 L CA -0.017 54.626 54.840 -0.328 0.000 0.807 431 L CB -0.138 41.731 42.059 -0.317 0.000 1.177 431 L HN 0.389 nan 8.230 nan 0.000 0.429 432 Y N 4.111 124.077 120.300 -0.557 0.000 2.524 432 Y HA 0.644 4.838 4.550 -0.593 0.000 0.344 432 Y C -0.164 175.386 175.900 -0.582 0.000 1.012 432 Y CA -0.801 56.917 58.100 -0.637 0.000 1.068 432 Y CB 1.589 39.468 38.460 -0.967 0.000 1.249 432 Y HN 0.523 nan 8.280 nan 0.000 0.468 433 R N 3.028 123.363 120.500 -0.275 0.000 2.480 433 R HA 0.667 4.652 4.340 -0.593 0.000 0.306 433 R C -1.863 174.352 176.300 -0.141 0.000 0.958 433 R CA -0.608 55.247 56.100 -0.408 0.000 0.861 433 R CB 1.269 31.200 30.300 -0.615 0.000 1.171 433 R HN 0.903 nan 8.270 nan 0.000 0.445 434 I N 3.008 123.552 120.570 -0.044 0.000 2.433 434 I HA 0.242 4.057 4.170 -0.593 0.000 0.292 434 I C -0.567 175.610 176.117 0.099 0.000 1.001 434 I CA -0.744 60.617 61.300 0.103 0.000 1.119 434 I CB 1.935 40.060 38.000 0.208 0.000 1.289 434 I HN 0.676 nan 8.210 nan 0.000 0.438 435 Q N 5.146 125.017 119.800 0.118 0.000 2.293 435 Q HA 0.117 4.102 4.340 -0.593 0.000 0.263 435 Q C 0.334 176.295 176.000 -0.065 0.000 1.002 435 Q CA -0.521 55.269 55.803 -0.022 0.000 0.910 435 Q CB 1.264 29.997 28.738 -0.008 0.000 1.185 435 Q HN 0.717 nan 8.270 nan 0.000 0.401 436 L N 3.823 124.943 121.223 -0.172 0.000 2.131 436 L HA -0.203 3.782 4.340 -0.593 0.000 0.210 436 L C 1.744 178.479 176.870 -0.224 0.000 1.092 436 L CA 1.611 56.393 54.840 -0.097 0.000 0.759 436 L CB -0.714 41.270 42.059 -0.125 0.000 0.903 436 L HN 0.715 nan 8.230 nan 0.000 0.435 437 N N -2.094 116.454 118.700 -0.254 0.000 2.398 437 N HA -0.042 4.342 4.740 -0.593 0.000 0.188 437 N C -0.299 175.020 175.510 -0.318 0.000 1.122 437 N CA 0.289 53.172 53.050 -0.277 0.000 0.866 437 N CB 0.014 38.386 38.487 -0.192 0.000 0.970 437 N HN 0.161 nan 8.380 nan 0.000 0.462 438 D N -0.371 119.843 120.400 -0.311 0.000 2.634 438 D HA 0.061 4.345 4.640 -0.593 0.000 0.236 438 D C -0.380 175.868 176.300 -0.085 0.000 1.323 438 D CA -0.527 53.336 54.000 -0.228 0.000 0.884 438 D CB -0.322 40.409 40.800 -0.115 0.000 1.496 438 D HN -0.114 nan 8.370 nan 0.000 0.525 439 Y N 0.411 120.700 120.300 -0.018 0.000 2.556 439 Y HA -0.134 4.061 4.550 -0.592 0.000 0.290 439 Y C 2.594 178.506 175.900 0.019 0.000 1.149 439 Y CA 1.538 59.638 58.100 0.001 0.000 1.329 439 Y CB -1.005 37.457 38.460 0.003 0.000 0.975 439 Y HN 0.386 nan 8.280 nan 0.000 0.561 440 T N -2.591 112.048 114.554 0.142 0.000 3.085 440 T HA -0.007 3.987 4.350 -0.593 0.000 0.263 440 T C 0.648 175.401 174.700 0.087 0.000 1.127 440 T CA 0.095 62.255 62.100 0.100 0.000 1.103 440 T CB -0.215 68.688 68.868 0.057 0.000 0.921 440 T HN 0.134 nan 8.240 nan 0.000 0.510 441 K N 1.731 122.180 120.400 0.083 0.000 2.231 441 K HA 0.547 4.511 4.320 -0.593 0.000 0.275 441 K C -1.196 175.464 176.600 0.099 0.000 1.105 441 K CA -0.417 55.915 56.287 0.074 0.000 0.931 441 K CB 1.459 33.991 32.500 0.053 0.000 1.296 441 K HN 0.175 nan 8.250 nan 0.000 0.446 442 V N 2.444 122.418 119.914 0.100 0.000 2.709 442 V HA 0.466 4.231 4.120 -0.593 0.000 0.308 442 V C -1.076 175.067 176.094 0.083 0.000 1.062 442 V CA -0.217 62.153 62.300 0.116 0.000 0.901 442 V CB 2.257 34.187 31.823 0.178 0.000 1.003 442 V HN 0.651 nan 8.190 nan 0.000 0.425 443 T N 5.435 120.007 114.554 0.030 0.000 2.856 443 T HA 0.355 4.350 4.350 -0.593 0.000 0.283 443 T C -0.712 173.911 174.700 -0.129 0.000 1.008 443 T CA -0.296 61.781 62.100 -0.039 0.000 0.997 443 T CB 1.284 70.098 68.868 -0.090 0.000 0.992 443 T HN 0.898 nan 8.240 nan 0.000 0.454 444 C N 4.790 123.944 119.300 -0.242 0.000 2.265 444 C HA 0.465 4.570 4.460 -0.593 0.000 0.332 444 C C 1.603 176.296 174.990 -0.494 0.000 1.248 444 C CA -0.625 58.002 59.018 -0.652 0.000 1.727 444 C CB -1.964 25.320 27.740 -0.761 0.000 2.348 444 C HN 0.985 nan 8.230 nan 0.000 0.519 445 L N 4.538 125.452 121.223 -0.515 0.000 2.418 445 L HA 0.068 4.052 4.340 -0.593 0.000 0.218 445 L C 2.180 178.785 176.870 -0.443 0.000 1.125 445 L CA 1.036 55.654 54.840 -0.370 0.000 0.835 445 L CB -0.172 41.706 42.059 -0.301 0.000 0.953 445 L HN 0.881 nan 8.230 nan 0.000 0.454 446 S N -3.373 111.945 115.700 -0.636 0.000 2.604 446 S HA -0.008 4.107 4.470 -0.593 0.000 0.235 446 S C 1.783 176.021 174.600 -0.604 0.000 1.043 446 S CA -0.167 57.561 58.200 -0.786 0.000 0.997 446 S CB -0.333 61.985 63.200 -1.469 0.000 0.956 446 S HN 0.297 nan 8.310 nan 0.000 0.535 447 C N 1.931 120.870 119.300 -0.602 0.000 2.403 447 C HA 0.015 4.119 4.460 -0.593 0.000 0.277 447 C C 2.167 176.961 174.990 -0.327 0.000 1.248 447 C CA 1.377 60.020 59.018 -0.624 0.000 1.762 447 C CB -1.076 26.114 27.740 -0.916 0.000 2.014 447 C HN 0.660 nan 8.230 nan 0.000 0.486 448 E N -0.513 119.554 120.200 -0.222 0.000 2.548 448 E HA 0.232 4.226 4.350 -0.593 0.000 0.206 448 E C 1.651 178.221 176.600 -0.050 0.000 1.005 448 E CA -0.177 56.168 56.400 -0.092 0.000 0.951 448 E CB 0.017 29.677 29.700 -0.066 0.000 1.035 448 E HN 0.526 nan 8.360 nan 0.000 0.470 449 L N -0.145 121.045 121.223 -0.055 0.000 2.046 449 L HA -0.046 3.939 4.340 -0.593 0.000 0.208 449 L C 0.596 177.487 176.870 0.034 0.000 1.077 449 L CA 1.104 55.946 54.840 0.002 0.000 0.747 449 L CB -0.053 42.025 42.059 0.033 0.000 0.896 449 L HN 0.097 nan 8.230 nan 0.000 0.432 450 N N -1.662 117.072 118.700 0.057 0.000 2.805 450 N HA 0.080 4.465 4.740 -0.593 0.000 0.216 450 N C -2.002 173.538 175.510 0.049 0.000 1.447 450 N CA -0.476 52.599 53.050 0.043 0.000 0.785 450 N CB 1.020 39.529 38.487 0.036 0.000 1.458 450 N HN -0.166 nan 8.380 nan 0.000 0.547 451 P HA -0.223 nan 4.420 nan 0.000 0.217 451 P C 0.544 177.878 177.300 0.057 0.000 1.148 451 P CA 1.462 64.601 63.100 0.065 0.000 0.834 451 P CB 0.503 32.245 31.700 0.071 0.000 0.783 452 E N -0.405 119.815 120.200 0.033 0.000 2.086 452 E HA -0.083 3.912 4.350 -0.593 0.000 0.190 452 E C 2.315 178.918 176.600 0.006 0.000 0.975 452 E CA 0.687 57.100 56.400 0.022 0.000 0.813 452 E CB -0.443 29.264 29.700 0.011 0.000 0.768 452 E HN 0.312 nan 8.360 nan 0.000 0.457 453 R N -0.144 120.348 120.500 -0.013 0.000 2.127 453 R HA 0.046 4.031 4.340 -0.593 0.000 0.217 453 R C 0.070 176.325 176.300 -0.075 0.000 1.074 453 R CA 0.654 56.725 56.100 -0.048 0.000 0.991 453 R CB 0.310 30.570 30.300 -0.067 0.000 0.895 453 R HN 0.028 nan 8.270 nan 0.000 0.450 454 c N 0.987 119.547 118.600 -0.066 0.000 2.321 454 c HA 0.403 4.617 4.570 -0.593 0.000 0.323 454 c C 0.127 174.197 174.090 -0.034 0.000 1.191 454 c CA -0.687 55.541 56.329 -0.168 0.000 1.455 454 c CB 1.236 43.569 42.510 -0.295 0.000 2.083 454 c HN 0.534 nan 8.230 nan 0.000 0.442 455 Q N 0.326 120.115 119.800 -0.018 0.000 2.140 455 Q HA 0.190 4.174 4.340 -0.593 0.000 0.227 455 Q C -0.759 175.333 176.000 0.153 0.000 0.798 455 Q CA 0.174 56.042 55.803 0.108 0.000 0.987 455 Q CB 1.164 29.968 28.738 0.111 0.000 1.161 455 Q HN 0.794 nan 8.270 nan 0.000 0.480 456 Y N 0.579 120.835 120.300 -0.073 0.000 2.426 456 Y HA 0.378 4.573 4.550 -0.592 0.000 0.325 456 Y C -1.561 174.340 175.900 0.001 0.000 0.989 456 Y CA -1.134 56.982 58.100 0.027 0.000 1.284 456 Y CB 0.568 39.064 38.460 0.061 0.000 1.104 456 Y HN -0.099 nan 8.280 nan 0.000 0.481 457 Y N 2.066 122.420 120.300 0.090 0.000 2.549 457 Y HA 0.667 4.861 4.550 -0.592 0.000 0.339 457 Y C 0.191 176.181 175.900 0.149 0.000 1.053 457 Y CA -0.635 57.523 58.100 0.096 0.000 1.105 457 Y CB 2.256 40.687 38.460 -0.048 0.000 1.258 457 Y HN 0.484 nan 8.280 nan 0.000 0.478 458 S N 0.926 116.867 115.700 0.402 0.000 2.627 458 S HA 0.980 5.095 4.470 -0.593 0.000 0.283 458 S C -1.257 173.499 174.600 0.260 0.000 1.127 458 S CA -0.495 57.916 58.200 0.351 0.000 0.863 458 S CB 1.994 65.494 63.200 0.500 0.000 1.121 458 S HN 1.049 nan 8.310 nan 0.000 0.479 459 A N 0.649 123.610 122.820 0.235 0.000 2.556 459 A HA 0.899 4.863 4.320 -0.593 0.000 0.294 459 A C -0.656 177.081 177.584 0.255 0.000 1.091 459 A CA -0.648 51.498 52.037 0.181 0.000 0.704 459 A CB 1.655 20.708 19.000 0.089 0.000 1.300 459 A HN 1.544 nan 8.150 nan 0.000 0.406 460 S N 0.357 116.197 115.700 0.233 0.000 2.672 460 S HA 0.726 4.840 4.470 -0.593 0.000 0.291 460 S C -1.562 173.227 174.600 0.315 0.000 1.145 460 S CA -0.358 58.065 58.200 0.372 0.000 1.013 460 S CB 0.081 63.539 63.200 0.429 0.000 1.017 460 S HN 0.487 nan 8.310 nan 0.000 0.487 461 F N 2.944 122.952 119.950 0.097 0.000 2.425 461 F HA 0.540 4.711 4.527 -0.593 0.000 0.331 461 F C 1.292 176.688 175.800 -0.673 0.000 1.085 461 F CA -0.409 57.473 58.000 -0.196 0.000 1.028 461 F CB 1.795 40.657 39.000 -0.229 0.000 1.177 461 F HN 0.672 nan 8.300 nan 0.000 0.487 462 S N 1.102 116.163 115.700 -1.065 0.000 2.641 462 S HA 0.278 4.392 4.470 -0.593 0.000 0.261 462 S C -0.183 174.225 174.600 -0.321 0.000 1.257 462 S CA -0.970 56.453 58.200 -1.294 0.000 0.983 462 S CB 0.116 62.512 63.200 -1.339 0.000 0.990 462 S HN 0.654 nan 8.310 nan 0.000 0.572 463 N N 1.218 119.861 118.700 -0.095 0.000 2.458 463 N HA 0.114 4.499 4.740 -0.593 0.000 0.258 463 N C -0.209 175.320 175.510 0.032 0.000 1.219 463 N CA -0.168 52.903 53.050 0.036 0.000 0.902 463 N CB 0.094 38.644 38.487 0.106 0.000 1.076 463 N HN 0.609 nan 8.380 nan 0.000 0.455 464 K N 0.878 121.306 120.400 0.047 0.000 3.341 464 K HA -0.287 3.678 4.320 -0.593 0.000 0.305 464 K C 0.154 176.771 176.600 0.029 0.000 1.270 464 K CA 0.477 56.795 56.287 0.052 0.000 0.897 464 K CB -1.588 30.952 32.500 0.067 0.000 1.264 464 K HN 0.891 nan 8.250 nan 0.000 0.468 465 A N -0.112 122.708 122.820 0.001 0.000 2.799 465 A HA -0.338 3.627 4.320 -0.593 0.000 0.287 465 A C 1.222 178.831 177.584 0.042 0.000 1.484 465 A CA 2.154 54.208 52.037 0.028 0.000 0.813 465 A CB -1.426 17.470 19.000 -0.174 0.000 1.009 465 A HN 0.560 nan 8.150 nan 0.000 0.545 466 K N -2.236 118.140 120.400 -0.039 0.000 2.217 466 K HA 0.103 4.067 4.320 -0.593 0.000 0.202 466 K C 0.162 176.494 176.600 -0.447 0.000 1.051 466 K CA 1.415 57.579 56.287 -0.206 0.000 0.952 466 K CB 0.054 32.450 32.500 -0.173 0.000 0.736 466 K HN 0.735 nan 8.250 nan 0.000 0.453 467 Y N -1.109 119.123 120.300 -0.113 0.000 2.609 467 Y HA 0.327 4.521 4.550 -0.593 0.000 0.342 467 Y C -0.942 174.816 175.900 -0.236 0.000 1.058 467 Y CA -1.610 56.406 58.100 -0.141 0.000 1.055 467 Y CB 1.710 40.113 38.460 -0.095 0.000 1.292 467 Y HN -0.070 nan 8.280 nan 0.000 0.476 468 Y N -0.995 119.208 120.300 -0.162 0.000 2.513 468 Y HA 0.511 4.706 4.550 -0.593 0.000 0.340 468 Y C -1.159 174.725 175.900 -0.026 0.000 1.055 468 Y CA -1.514 56.322 58.100 -0.440 0.000 1.020 468 Y CB 1.357 38.932 38.460 -1.475 0.000 1.301 468 Y HN 0.604 nan 8.280 nan 0.000 0.453 469 Q N 3.705 123.634 119.800 0.216 0.000 2.243 469 Q HA 0.567 4.552 4.340 -0.593 0.000 0.252 469 Q C -1.699 174.382 176.000 0.134 0.000 0.909 469 Q CA -0.661 55.231 55.803 0.148 0.000 0.922 469 Q CB 1.287 30.096 28.738 0.119 0.000 1.215 469 Q HN 0.968 nan 8.270 nan 0.000 0.427 470 L N 4.223 125.521 121.223 0.125 0.000 2.322 470 L HA 0.551 4.535 4.340 -0.593 0.000 0.279 470 L C -0.365 176.527 176.870 0.037 0.000 1.036 470 L CA -0.694 54.211 54.840 0.108 0.000 0.807 470 L CB 1.475 43.573 42.059 0.065 0.000 1.226 470 L HN 0.664 nan 8.230 nan 0.000 0.433 471 R N 2.490 122.978 120.500 -0.020 0.000 2.371 471 R HA 0.320 4.305 4.340 -0.593 0.000 0.312 471 R C -1.086 174.789 176.300 -0.708 0.000 0.980 471 R CA -0.528 55.270 56.100 -0.503 0.000 0.867 471 R CB 1.606 31.697 30.300 -0.349 0.000 1.163 471 R HN 0.546 nan 8.270 nan 0.000 0.492 472 c N 4.333 122.373 118.600 -0.933 0.000 2.285 472 c HA 0.453 4.667 4.570 -0.593 0.000 0.335 472 c C 0.609 174.167 174.090 -0.885 0.000 1.267 472 c CA -0.529 55.221 56.329 -0.965 0.000 1.762 472 c CB -0.775 41.234 42.510 -0.835 0.000 2.365 472 c HN 0.963 nan 8.230 nan 0.000 0.527 473 F N 4.160 123.970 119.950 -0.234 0.000 2.695 473 F HA 0.454 4.626 4.527 -0.592 0.000 0.303 473 F C 1.507 177.268 175.800 -0.065 0.000 1.091 473 F CA 0.754 58.686 58.000 -0.113 0.000 1.300 473 F CB 0.309 39.254 39.000 -0.091 0.000 1.071 473 F HN 0.987 nan 8.300 nan 0.000 0.578 474 G N 0.030 108.841 108.800 0.018 0.000 2.341 474 G HA2 0.086 3.691 3.960 -0.593 0.000 0.293 474 G HA3 0.086 3.691 3.960 -0.593 0.000 0.293 474 G C -2.466 172.441 174.900 0.012 0.000 1.298 474 G CA -0.580 44.549 45.100 0.049 0.000 0.868 474 G HN -0.304 nan 8.290 nan 0.000 0.540 475 P HA 0.086 nan 4.420 nan 0.000 0.226 475 P C 1.337 178.685 177.300 0.080 0.000 1.153 475 P CA 1.624 64.771 63.100 0.079 0.000 0.777 475 P CB 0.145 31.881 31.700 0.060 0.000 0.794 476 G N 0.419 109.199 108.800 -0.034 0.000 2.494 476 G HA2 0.373 3.977 3.960 -0.593 0.000 0.270 476 G HA3 0.373 3.977 3.960 -0.593 0.000 0.270 476 G C -0.197 174.493 174.900 -0.350 0.000 1.423 476 G CA -0.717 44.289 45.100 -0.155 0.000 1.055 476 G HN 0.056 nan 8.290 nan 0.000 0.536 477 L N 1.138 122.063 121.223 -0.497 0.000 2.426 477 L HA 0.187 4.172 4.340 -0.593 0.000 0.271 477 L C -1.943 174.762 176.870 -0.276 0.000 1.169 477 L CA -1.362 53.127 54.840 -0.585 0.000 0.836 477 L CB 0.706 42.495 42.059 -0.451 0.000 1.112 477 L HN 0.222 nan 8.230 nan 0.000 0.465 478 P HA -0.006 nan 4.420 nan 0.000 0.263 478 P C -0.931 176.293 177.300 -0.127 0.000 1.175 478 P CA 0.120 63.141 63.100 -0.132 0.000 0.761 478 P CB 0.506 32.270 31.700 0.108 0.000 0.794 479 L N 5.248 126.280 121.223 -0.318 0.000 2.439 479 L HA 0.482 4.467 4.340 -0.593 0.000 0.270 479 L C -1.844 174.828 176.870 -0.330 0.000 0.972 479 L CA -0.678 54.053 54.840 -0.182 0.000 0.836 479 L CB 0.989 42.950 42.059 -0.163 0.000 1.255 479 L HN 0.210 nan 8.230 nan 0.000 0.404 480 Y N 2.805 123.030 120.300 -0.125 0.000 2.335 480 Y HA 0.764 4.958 4.550 -0.593 0.000 0.338 480 Y C 0.526 176.322 175.900 -0.175 0.000 0.977 480 Y CA -0.448 57.571 58.100 -0.135 0.000 1.114 480 Y CB 2.115 40.502 38.460 -0.121 0.000 1.182 480 Y HN 0.696 nan 8.280 nan 0.000 0.463 481 T N 0.756 115.309 114.554 -0.002 0.000 2.901 481 T HA 0.734 4.729 4.350 -0.593 0.000 0.293 481 T C -1.556 173.098 174.700 -0.077 0.000 1.084 481 T CA -0.905 61.150 62.100 -0.075 0.000 1.008 481 T CB 2.026 70.899 68.868 0.009 0.000 1.170 481 T HN 0.396 nan 8.240 nan 0.000 0.509 482 L N 1.358 122.429 121.223 -0.253 0.000 2.346 482 L HA 0.769 4.753 4.340 -0.593 0.000 0.276 482 L C -1.385 175.249 176.870 -0.394 0.000 1.006 482 L CA -0.264 54.472 54.840 -0.174 0.000 0.817 482 L CB 1.441 43.409 42.059 -0.153 0.000 1.272 482 L HN 0.916 nan 8.230 nan 0.000 0.421 483 H N 0.891 119.718 119.070 -0.405 0.000 2.865 483 H HA 0.630 4.830 4.556 -0.593 0.000 0.372 483 H C -0.964 174.142 175.328 -0.370 0.000 1.173 483 H CA -0.682 55.041 56.048 -0.543 0.000 1.147 483 H CB 1.947 31.023 29.762 -1.144 0.000 1.805 483 H HN 0.515 nan 8.280 nan 0.000 0.553 484 S N 0.073 115.722 115.700 -0.084 0.000 2.462 484 S HA 0.242 4.356 4.470 -0.593 0.000 0.294 484 S C 0.511 175.072 174.600 -0.064 0.000 1.144 484 S CA -0.535 57.614 58.200 -0.085 0.000 1.088 484 S CB 0.790 63.965 63.200 -0.042 0.000 1.009 484 S HN 0.621 nan 8.310 nan 0.000 0.484 485 S N 3.170 118.831 115.700 -0.066 0.000 2.436 485 S HA -0.069 4.045 4.470 -0.593 0.000 0.228 485 S C 2.148 176.756 174.600 0.012 0.000 1.014 485 S CA 1.036 59.312 58.200 0.126 0.000 0.950 485 S CB -0.261 63.018 63.200 0.132 0.000 0.784 485 S HN 0.925 nan 8.310 nan 0.000 0.504 486 S N 2.182 117.836 115.700 -0.077 0.000 2.368 486 S HA -0.074 4.041 4.470 -0.593 0.000 0.224 486 S C 1.864 176.446 174.600 -0.031 0.000 1.029 486 S CA 1.359 59.526 58.200 -0.054 0.000 0.988 486 S CB -0.421 62.734 63.200 -0.075 0.000 0.838 486 S HN 0.563 nan 8.310 nan 0.000 0.462 487 S N -0.152 115.533 115.700 -0.025 0.000 2.505 487 S HA 0.224 4.339 4.470 -0.593 0.000 0.216 487 S C 0.110 174.716 174.600 0.010 0.000 1.018 487 S CA 0.315 58.510 58.200 -0.009 0.000 0.911 487 S CB -0.116 63.079 63.200 -0.009 0.000 0.818 487 S HN 0.336 nan 8.310 nan 0.000 0.497 488 D N 1.341 121.763 120.400 0.037 0.000 2.870 488 D HA -0.141 4.143 4.640 -0.593 0.000 0.228 488 D C -0.109 176.233 176.300 0.069 0.000 1.147 488 D CA 1.018 55.072 54.000 0.090 0.000 0.757 488 D CB -1.147 39.695 40.800 0.070 0.000 1.091 488 D HN 0.685 nan 8.370 nan 0.000 0.429 489 K N 0.832 121.246 120.400 0.023 0.000 2.118 489 K HA 0.206 4.170 4.320 -0.593 0.000 0.264 489 K C 1.180 177.737 176.600 -0.072 0.000 1.000 489 K CA -0.339 55.942 56.287 -0.009 0.000 0.929 489 K CB 1.089 33.577 32.500 -0.021 0.000 1.021 489 K HN -0.042 nan 8.250 nan 0.000 0.463 490 E N 4.026 124.137 120.200 -0.148 0.000 2.418 490 E HA -0.113 3.882 4.350 -0.593 0.000 0.197 490 E C 0.722 177.069 176.600 -0.422 0.000 1.026 490 E CA 0.799 56.925 56.400 -0.457 0.000 0.862 490 E CB -0.046 29.458 29.700 -0.328 0.000 0.799 490 E HN 0.814 nan 8.360 nan 0.000 0.518 491 L N -1.276 119.822 121.223 -0.208 0.000 3.437 491 L HA -0.447 3.537 4.340 -0.593 0.000 0.069 491 L C 0.783 177.565 176.870 -0.146 0.000 4.438 491 L CA 2.430 57.186 54.840 -0.140 0.000 0.479 491 L CB -1.618 40.371 42.059 -0.116 0.000 3.549 491 L HN 0.437 nan 8.230 nan 0.000 0.729 492 R N -1.461 118.911 120.500 -0.214 0.000 2.709 492 R HA 0.604 4.589 4.340 -0.593 0.000 0.270 492 R C -1.339 174.829 176.300 -0.219 0.000 1.038 492 R CA -0.984 55.009 56.100 -0.178 0.000 0.872 492 R CB 1.637 31.861 30.300 -0.126 0.000 1.259 492 R HN -0.128 nan 8.270 nan 0.000 0.473 493 V N 3.384 123.195 119.914 -0.170 0.000 2.432 493 V HA 0.160 3.925 4.120 -0.593 0.000 0.271 493 V C 1.352 177.317 176.094 -0.217 0.000 1.046 493 V CA -0.355 61.847 62.300 -0.162 0.000 0.945 493 V CB 1.014 32.776 31.823 -0.102 0.000 0.992 493 V HN 0.655 nan 8.190 nan 0.000 0.471 494 L N 2.702 123.730 121.223 -0.326 0.000 2.249 494 L HA 0.274 4.259 4.340 -0.593 0.000 0.207 494 L C 0.745 177.418 176.870 -0.327 0.000 1.090 494 L CA 0.699 55.171 54.840 -0.613 0.000 0.802 494 L CB 0.182 41.463 42.059 -1.296 0.000 0.947 494 L HN 0.702 nan 8.230 nan 0.000 0.453 495 E N -0.011 120.119 120.200 -0.116 0.000 2.406 495 E HA 0.078 4.073 4.350 -0.593 0.000 0.297 495 E C -1.159 175.487 176.600 0.076 0.000 0.917 495 E CA -0.346 56.069 56.400 0.024 0.000 0.795 495 E CB 0.994 30.731 29.700 0.061 0.000 1.285 495 E HN 0.148 nan 8.360 nan 0.000 0.400 496 D N 3.188 123.606 120.400 0.031 0.000 2.433 496 D HA 0.140 4.425 4.640 -0.593 0.000 0.211 496 D C -0.240 176.063 176.300 0.006 0.000 1.114 496 D CA -0.217 53.791 54.000 0.013 0.000 0.837 496 D CB -0.049 40.741 40.800 -0.017 0.000 0.984 496 D HN 0.459 nan 8.370 nan 0.000 0.505 497 N N 0.450 119.165 118.700 0.025 0.000 2.708 497 N HA -0.231 4.154 4.740 -0.593 0.000 0.249 497 N C 1.012 176.519 175.510 -0.006 0.000 1.097 497 N CA 0.953 54.011 53.050 0.014 0.000 0.710 497 N CB -1.340 37.150 38.487 0.006 0.000 1.032 497 N HN 0.506 nan 8.380 nan 0.000 0.551 498 S N -1.168 114.530 115.700 -0.004 0.000 2.419 498 S HA -0.025 4.089 4.470 -0.593 0.000 0.233 498 S C 2.077 176.682 174.600 0.009 0.000 1.016 498 S CA 0.946 59.142 58.200 -0.007 0.000 0.974 498 S CB -0.060 63.137 63.200 -0.005 0.000 0.786 498 S HN 0.493 nan 8.310 nan 0.000 0.492 499 A N 2.074 124.906 122.820 0.021 0.000 1.877 499 A HA 0.086 4.051 4.320 -0.593 0.000 0.216 499 A C 2.232 179.854 177.584 0.063 0.000 1.186 499 A CA 1.558 53.619 52.037 0.039 0.000 0.620 499 A CB -0.951 18.072 19.000 0.038 0.000 0.822 499 A HN 0.559 nan 8.150 nan 0.000 0.443 500 L N 0.417 121.680 121.223 0.067 0.000 2.046 500 L HA -0.170 3.814 4.340 -0.593 0.000 0.208 500 L C 1.865 178.770 176.870 0.058 0.000 1.077 500 L CA 2.843 57.745 54.840 0.104 0.000 0.747 500 L CB -0.820 41.295 42.059 0.093 0.000 0.896 500 L HN 0.498 nan 8.230 nan 0.000 0.432 501 D N -0.858 119.543 120.400 0.002 0.000 2.123 501 D HA -0.267 4.017 4.640 -0.593 0.000 0.196 501 D C 2.156 178.458 176.300 0.003 0.000 0.992 501 D CA 1.326 55.309 54.000 -0.028 0.000 0.833 501 D CB 0.034 40.806 40.800 -0.046 0.000 0.954 501 D HN 0.209 nan 8.370 nan 0.000 0.455 502 K N -0.106 120.310 120.400 0.027 0.000 2.001 502 K HA -0.040 3.925 4.320 -0.593 0.000 0.208 502 K C 2.077 178.720 176.600 0.072 0.000 1.048 502 K CA 1.307 57.619 56.287 0.041 0.000 0.932 502 K CB -0.326 32.200 32.500 0.043 0.000 0.715 502 K HN 0.201 nan 8.250 nan 0.000 0.437 503 M N 0.083 119.756 119.600 0.121 0.000 2.149 503 M HA -0.151 3.974 4.480 -0.593 0.000 0.261 503 M C 1.888 178.281 176.300 0.154 0.000 1.064 503 M CA 1.467 56.898 55.300 0.217 0.000 1.102 503 M CB -0.272 32.562 32.600 0.391 0.000 1.369 503 M HN 0.102 nan 8.290 nan 0.000 0.408 504 L N -0.585 120.653 121.223 0.025 0.000 2.313 504 L HA -0.150 3.835 4.340 -0.593 0.000 0.214 504 L C 2.258 179.099 176.870 -0.048 0.000 1.119 504 L CA 0.714 55.487 54.840 -0.111 0.000 0.809 504 L CB -0.498 41.482 42.059 -0.132 0.000 0.933 504 L HN 0.371 nan 8.230 nan 0.000 0.449 505 Q N -0.429 119.369 119.800 -0.002 0.000 2.291 505 Q HA -0.214 3.771 4.340 -0.593 0.000 0.206 505 Q C 1.425 177.439 176.000 0.023 0.000 0.976 505 Q CA 1.129 56.935 55.803 0.006 0.000 0.875 505 Q CB -0.011 28.736 28.738 0.015 0.000 0.927 505 Q HN 0.385 nan 8.270 nan 0.000 0.450 506 D N -0.158 120.269 120.400 0.045 0.000 2.349 506 D HA 0.009 4.293 4.640 -0.593 0.000 0.215 506 D C -0.358 175.984 176.300 0.071 0.000 1.016 506 D CA 0.127 54.168 54.000 0.069 0.000 0.870 506 D CB 0.623 41.484 40.800 0.102 0.000 0.917 506 D HN -0.021 nan 8.370 nan 0.000 0.524 507 V N 0.896 120.829 119.914 0.033 0.000 2.667 507 V HA 0.244 4.009 4.120 -0.593 0.000 0.308 507 V C -0.559 175.541 176.094 0.009 0.000 1.048 507 V CA -0.625 61.696 62.300 0.035 0.000 0.928 507 V CB 1.962 33.772 31.823 -0.022 0.000 1.004 507 V HN -0.125 nan 8.190 nan 0.000 0.444 508 Q N 5.956 125.776 119.800 0.033 0.000 2.664 508 Q HA 0.296 4.281 4.340 -0.593 0.000 0.223 508 Q C -0.461 175.521 176.000 -0.030 0.000 1.298 508 Q CA -0.146 55.650 55.803 -0.012 0.000 0.965 508 Q CB 0.432 29.181 28.738 0.017 0.000 1.510 508 Q HN 0.588 nan 8.270 nan 0.000 0.567 509 M N 3.499 123.061 119.600 -0.064 0.000 2.250 509 M HA 0.333 4.458 4.480 -0.593 0.000 0.344 509 M C -1.978 174.261 176.300 -0.101 0.000 1.150 509 M CA -2.321 52.930 55.300 -0.082 0.000 1.147 509 M CB 0.044 32.589 32.600 -0.091 0.000 1.498 509 M HN 0.281 nan 8.290 nan 0.000 0.461 510 P HA 0.264 nan 4.420 nan 0.000 0.278 510 P C -0.897 176.328 177.300 -0.126 0.000 1.258 510 P CA -0.399 62.623 63.100 -0.129 0.000 0.811 510 P CB 0.774 32.389 31.700 -0.141 0.000 1.063 511 S N -0.281 115.333 115.700 -0.144 0.000 2.638 511 S HA 0.555 4.669 4.470 -0.593 0.000 0.298 511 S C -0.450 174.065 174.600 -0.143 0.000 1.111 511 S CA -0.801 57.327 58.200 -0.121 0.000 1.027 511 S CB 1.695 64.824 63.200 -0.118 0.000 1.064 511 S HN 0.514 nan 8.310 nan 0.000 0.525 512 K N 0.947 121.287 120.400 -0.099 0.000 2.323 512 K HA 0.419 4.384 4.320 -0.593 0.000 0.259 512 K C -1.194 175.357 176.600 -0.081 0.000 0.947 512 K CA -0.537 55.693 56.287 -0.095 0.000 0.819 512 K CB 1.157 33.621 32.500 -0.060 0.000 1.109 512 K HN 0.752 nan 8.250 nan 0.000 0.429 513 K N 5.088 125.425 120.400 -0.106 0.000 2.292 513 K HA 0.353 4.318 4.320 -0.593 0.000 0.257 513 K C -1.493 175.051 176.600 -0.093 0.000 0.940 513 K CA -0.782 55.448 56.287 -0.095 0.000 0.811 513 K CB 1.027 33.444 32.500 -0.139 0.000 1.120 513 K HN 0.429 nan 8.250 nan 0.000 0.428 514 L N 3.451 124.644 121.223 -0.051 0.000 2.329 514 L HA 0.503 4.488 4.340 -0.593 0.000 0.279 514 L C -0.270 176.539 176.870 -0.102 0.000 1.014 514 L CA 0.015 54.841 54.840 -0.024 0.000 0.814 514 L CB 1.662 43.828 42.059 0.179 0.000 1.257 514 L HN 0.798 nan 8.230 nan 0.000 0.424 515 D N 0.903 121.040 120.400 -0.438 0.000 2.946 515 D HA 0.575 4.859 4.640 -0.593 0.000 0.337 515 D C -1.632 174.296 176.300 -0.619 0.000 1.332 515 D CA -0.160 53.531 54.000 -0.515 0.000 0.935 515 D CB 2.326 42.892 40.800 -0.391 0.000 1.440 515 D HN 0.149 nan 8.370 nan 0.000 0.540 516 V N 0.964 120.677 119.914 -0.335 0.000 3.001 516 V HA 0.680 4.445 4.120 -0.593 0.000 0.314 516 V C -0.205 176.032 176.094 0.237 0.000 1.099 516 V CA -0.680 61.517 62.300 -0.171 0.000 0.989 516 V CB 2.203 33.680 31.823 -0.578 0.000 1.040 516 V HN 0.531 nan 8.190 nan 0.000 0.434 517 I N -0.358 120.370 120.570 0.264 0.000 3.102 517 I HA 0.703 4.517 4.170 -0.593 0.000 0.310 517 I C -1.358 174.851 176.117 0.153 0.000 1.246 517 I CA -0.867 60.547 61.300 0.190 0.000 0.979 517 I CB 2.749 40.827 38.000 0.129 0.000 1.267 517 I HN 0.390 nan 8.210 nan 0.000 0.451 518 N N 3.436 122.176 118.700 0.067 0.000 2.400 518 N HA 0.689 5.073 4.740 -0.593 0.000 0.288 518 N C -1.417 174.108 175.510 0.025 0.000 1.024 518 N CA -0.291 52.788 53.050 0.048 0.000 0.894 518 N CB 2.041 40.527 38.487 -0.003 0.000 1.173 518 N HN 0.539 nan 8.380 nan 0.000 0.487 519 L N 2.671 123.947 121.223 0.089 0.000 2.376 519 L HA 0.317 4.302 4.340 -0.593 0.000 0.275 519 L C -0.419 176.292 176.870 -0.266 0.000 0.987 519 L CA -0.887 53.807 54.840 -0.244 0.000 0.828 519 L CB 1.049 42.990 42.059 -0.196 0.000 1.249 519 L HN 0.795 nan 8.230 nan 0.000 0.409 520 H N 1.014 120.137 119.070 0.089 0.000 2.655 520 H HA -0.192 4.008 4.556 -0.593 0.000 0.313 520 H C 1.081 176.431 175.328 0.038 0.000 1.141 520 H CA 0.686 56.764 56.048 0.049 0.000 1.138 520 H CB -1.946 27.836 29.762 0.033 0.000 1.446 520 H HN 1.044 nan 8.280 nan 0.000 0.415 521 G N -1.626 107.227 108.800 0.087 0.000 2.148 521 G HA2 -0.287 3.318 3.960 -0.593 0.000 0.254 521 G HA3 -0.287 3.318 3.960 -0.593 0.000 0.254 521 G C 0.260 175.169 174.900 0.015 0.000 0.981 521 G CA 0.442 45.569 45.100 0.045 0.000 0.670 521 G HN 0.862 nan 8.290 nan 0.000 0.528 522 T N 0.225 114.786 114.554 0.013 0.000 2.861 522 T HA 0.552 4.546 4.350 -0.593 0.000 0.287 522 T C 0.084 174.588 174.700 -0.327 0.000 1.003 522 T CA -0.236 61.752 62.100 -0.187 0.000 0.977 522 T CB 1.701 70.396 68.868 -0.289 0.000 0.996 522 T HN 0.671 nan 8.240 nan 0.000 0.448 523 K N 2.758 122.953 120.400 -0.342 0.000 2.234 523 K HA 0.589 4.553 4.320 -0.593 0.000 0.282 523 K C -1.349 175.025 176.600 -0.377 0.000 1.039 523 K CA -0.299 55.845 56.287 -0.239 0.000 0.928 523 K CB 0.489 32.900 32.500 -0.149 0.000 1.039 523 K HN 0.378 nan 8.250 nan 0.000 0.470 524 F N 1.996 122.041 119.950 0.158 0.000 2.577 524 F HA 0.448 4.620 4.527 -0.591 0.000 0.318 524 F C -0.598 175.346 175.800 0.239 0.000 1.065 524 F CA -0.898 57.232 58.000 0.217 0.000 0.929 524 F CB 1.245 40.370 39.000 0.209 0.000 1.237 524 F HN 0.491 nan 8.300 nan 0.000 0.468 525 W N 1.972 123.481 121.300 0.349 0.000 2.375 525 W HA 0.522 4.827 4.660 -0.593 0.000 0.336 525 W C -0.799 175.987 176.519 0.445 0.000 1.160 525 W CA -0.523 57.010 57.345 0.313 0.000 1.266 525 W CB 0.783 30.343 29.460 0.166 0.000 1.195 525 W HN 0.399 nan 8.180 nan 0.000 0.599 526 Y N -0.306 120.352 120.300 0.596 0.000 2.615 526 Y HA 0.672 4.866 4.550 -0.593 0.000 0.341 526 Y C -1.020 175.101 175.900 0.367 0.000 1.089 526 Y CA -1.790 56.647 58.100 0.561 0.000 1.049 526 Y CB 1.197 40.120 38.460 0.773 0.000 1.296 526 Y HN 0.565 nan 8.280 nan 0.000 0.470 527 Q N 2.385 122.398 119.800 0.356 0.000 2.421 527 Q HA 0.771 4.756 4.340 -0.593 0.000 0.280 527 Q C -1.795 174.297 176.000 0.153 0.000 1.085 527 Q CA -1.166 54.717 55.803 0.135 0.000 0.807 527 Q CB 3.364 32.172 28.738 0.117 0.000 1.405 527 Q HN 0.857 nan 8.270 nan 0.000 0.419 528 M N 2.283 121.896 119.600 0.022 0.000 2.393 528 M HA 0.454 4.579 4.480 -0.593 0.000 0.299 528 M C -1.284 174.939 176.300 -0.129 0.000 1.103 528 M CA -0.988 54.277 55.300 -0.058 0.000 0.910 528 M CB 2.270 34.792 32.600 -0.130 0.000 1.659 528 M HN 0.601 nan 8.290 nan 0.000 0.445 529 I N 4.771 125.264 120.570 -0.129 0.000 2.304 529 I HA 0.385 4.199 4.170 -0.593 0.000 0.291 529 I C -0.463 175.504 176.117 -0.251 0.000 1.018 529 I CA -0.354 60.849 61.300 -0.162 0.000 1.260 529 I CB 0.441 38.368 38.000 -0.122 0.000 1.390 529 I HN 0.626 nan 8.210 nan 0.000 0.475 530 L N 8.394 129.415 121.223 -0.337 0.000 2.295 530 L HA 0.461 4.446 4.340 -0.593 0.000 0.285 530 L C -2.198 174.492 176.870 -0.301 0.000 1.035 530 L CA -1.816 52.726 54.840 -0.496 0.000 0.806 530 L CB 1.221 42.765 42.059 -0.858 0.000 1.214 530 L HN 0.270 nan 8.230 nan 0.000 0.426 531 P HA 0.059 nan 4.420 nan 0.000 0.268 531 P C -2.469 174.811 177.300 -0.034 0.000 1.208 531 P CA -0.776 62.278 63.100 -0.078 0.000 0.777 531 P CB -0.167 31.546 31.700 0.022 0.000 0.875 532 P HA 0.009 nan 4.420 nan 0.000 0.268 532 P C -0.536 176.729 177.300 -0.057 0.000 1.208 532 P CA 0.391 63.396 63.100 -0.159 0.000 0.777 532 P CB -0.230 31.325 31.700 -0.242 0.000 0.875 533 H N -1.836 117.280 119.070 0.077 0.000 2.791 533 H HA -0.215 3.986 4.556 -0.593 0.000 0.302 533 H C -0.160 175.238 175.328 0.117 0.000 1.198 533 H CA -0.313 55.784 56.048 0.081 0.000 1.145 533 H CB -2.325 27.476 29.762 0.065 0.000 1.385 533 H HN 0.307 nan 8.280 nan 0.000 0.409 534 F N 2.754 122.712 119.950 0.014 0.000 2.514 534 F HA -0.009 4.162 4.527 -0.593 0.000 0.399 534 F C 0.271 176.099 175.800 0.047 0.000 1.011 534 F CA -0.305 57.657 58.000 -0.063 0.000 1.109 534 F CB 0.169 39.018 39.000 -0.253 0.000 0.980 534 F HN 0.127 nan 8.300 nan 0.000 0.538 535 D N 6.269 126.483 120.400 -0.309 0.000 2.411 535 D HA 0.134 4.418 4.640 -0.593 0.000 0.225 535 D C 0.842 176.838 176.300 -0.506 0.000 1.156 535 D CA -0.443 53.401 54.000 -0.260 0.000 0.874 535 D CB 0.946 41.690 40.800 -0.094 0.000 1.034 535 D HN 0.387 nan 8.370 nan 0.000 0.502 536 K N 0.154 120.285 120.400 -0.449 0.000 2.362 536 K HA -0.221 3.744 4.320 -0.593 0.000 0.202 536 K C 1.600 178.179 176.600 -0.034 0.000 1.045 536 K CA 1.026 57.162 56.287 -0.251 0.000 0.936 536 K CB -0.410 32.082 32.500 -0.013 0.000 0.747 536 K HN 0.267 nan 8.250 nan 0.000 0.467 537 S N -0.300 115.359 115.700 -0.068 0.000 2.478 537 S HA 0.032 4.146 4.470 -0.593 0.000 0.222 537 S C 0.684 175.258 174.600 -0.045 0.000 1.008 537 S CA -0.388 57.795 58.200 -0.027 0.000 0.928 537 S CB -0.011 63.166 63.200 -0.039 0.000 0.781 537 S HN 0.422 nan 8.310 nan 0.000 0.518 538 K N 1.273 121.613 120.400 -0.101 0.000 2.090 538 K HA 0.250 4.215 4.320 -0.593 0.000 0.250 538 K C -0.961 175.559 176.600 -0.135 0.000 1.004 538 K CA -0.436 55.726 56.287 -0.208 0.000 0.919 538 K CB 0.510 32.740 32.500 -0.450 0.000 1.045 538 K HN 0.040 nan 8.250 nan 0.000 0.471 539 K N 2.977 123.262 120.400 -0.192 0.000 2.316 539 K HA 0.205 4.169 4.320 -0.593 0.000 0.267 539 K C -1.374 175.156 176.600 -0.116 0.000 1.025 539 K CA -0.543 55.720 56.287 -0.040 0.000 0.896 539 K CB 0.821 33.293 32.500 -0.046 0.000 1.124 539 K HN 0.364 nan 8.250 nan 0.000 0.451 540 Y N 2.916 123.249 120.300 0.055 0.000 2.376 540 Y HA 0.284 4.478 4.550 -0.593 0.000 0.325 540 Y C -1.885 173.972 175.900 -0.072 0.000 1.199 540 Y CA -2.737 55.375 58.100 0.019 0.000 1.206 540 Y CB 0.328 38.859 38.460 0.119 0.000 1.229 540 Y HN 0.481 nan 8.280 nan 0.000 0.480 541 P HA 0.135 nan 4.420 nan 0.000 0.272 541 P C -0.978 176.221 177.300 -0.168 0.000 1.240 541 P CA -0.156 62.696 63.100 -0.413 0.000 0.791 541 P CB 1.414 32.531 31.700 -0.971 0.000 0.978 542 L N 1.839 122.972 121.223 -0.150 0.000 2.409 542 L HA 0.464 4.449 4.340 -0.593 0.000 0.272 542 L C -1.013 176.020 176.870 0.272 0.000 0.980 542 L CA -1.023 53.869 54.840 0.087 0.000 0.826 542 L CB 1.648 43.764 42.059 0.095 0.000 1.268 542 L HN 0.282 nan 8.230 nan 0.000 0.407 543 L N 5.605 127.011 121.223 0.305 0.000 2.313 543 L HA 0.496 4.481 4.340 -0.593 0.000 0.283 543 L C -0.778 176.329 176.870 0.395 0.000 1.013 543 L CA -0.746 54.339 54.840 0.407 0.000 0.816 543 L CB 1.856 44.103 42.059 0.313 0.000 1.236 543 L HN 0.507 nan 8.230 nan 0.000 0.419 544 I N 4.124 124.986 120.570 0.487 0.000 2.331 544 I HA 0.275 4.089 4.170 -0.593 0.000 0.292 544 I C 0.169 176.539 176.117 0.422 0.000 0.998 544 I CA -0.206 61.368 61.300 0.457 0.000 1.267 544 I CB 1.544 39.863 38.000 0.532 0.000 1.386 544 I HN 0.639 nan 8.210 nan 0.000 0.476 545 E N 5.937 126.345 120.200 0.347 0.000 2.113 545 E HA 0.486 4.481 4.350 -0.593 0.000 0.273 545 E C -1.534 175.139 176.600 0.122 0.000 0.924 545 E CA -0.406 56.102 56.400 0.181 0.000 0.764 545 E CB 1.966 31.841 29.700 0.293 0.000 1.104 545 E HN 0.426 nan 8.360 nan 0.000 0.406 546 V N 5.856 125.778 119.914 0.013 0.000 2.769 546 V HA 0.368 4.132 4.120 -0.593 0.000 0.312 546 V C -1.021 175.179 176.094 0.177 0.000 1.061 546 V CA -0.284 62.096 62.300 0.134 0.000 0.931 546 V CB 1.734 33.651 31.823 0.157 0.000 1.010 546 V HN 0.939 nan 8.190 nan 0.000 0.433 547 Y N 4.968 125.335 120.300 0.111 0.000 3.059 547 Y HA 0.438 4.634 4.550 -0.591 0.000 0.212 547 Y C 1.660 177.695 175.900 0.226 0.000 0.947 547 Y CA 0.331 58.524 58.100 0.156 0.000 1.571 547 Y CB 0.479 39.014 38.460 0.123 0.000 1.432 547 Y HN 0.927 nan 8.280 nan 0.000 0.450 548 A N 1.402 124.284 122.820 0.103 0.000 2.861 548 A HA -0.219 3.746 4.320 -0.593 0.000 0.261 548 A C 0.696 178.119 177.584 -0.269 0.000 1.351 548 A CA 0.996 53.016 52.037 -0.028 0.000 0.904 548 A CB -2.482 16.626 19.000 0.180 0.000 1.076 548 A HN 0.777 nan 8.150 nan 0.000 0.729 549 G N -0.598 107.773 108.800 -0.716 0.000 2.616 549 G HA2 0.523 4.128 3.960 -0.593 0.000 0.268 549 G HA3 0.523 4.128 3.960 -0.593 0.000 0.268 549 G C -1.994 172.421 174.900 -0.809 0.000 1.213 549 G CA -0.780 43.520 45.100 -1.333 0.000 0.926 549 G HN 0.380 nan 8.290 nan 0.000 0.523 550 P HA 0.013 nan 4.420 nan 0.000 0.263 550 P C 0.619 177.670 177.300 -0.415 0.000 1.195 550 P CA 0.260 63.001 63.100 -0.599 0.000 0.762 550 P CB 0.689 31.643 31.700 -1.243 0.000 0.799 551 C N 2.498 121.642 119.300 -0.260 0.000 4.397 551 C HA -0.148 3.956 4.460 -0.593 0.000 0.291 551 C C 1.041 175.959 174.990 -0.120 0.000 1.408 551 C CA 1.101 59.954 59.018 -0.276 0.000 1.971 551 C CB -2.687 24.766 27.740 -0.478 0.000 1.258 551 C HN 0.803 nan 8.230 nan 0.000 0.795 552 S N 0.007 115.558 115.700 -0.248 0.000 2.617 552 S HA 0.540 4.654 4.470 -0.593 0.000 0.269 552 S C -0.516 174.071 174.600 -0.021 0.000 1.292 552 S CA 0.113 58.100 58.200 -0.354 0.000 1.010 552 S CB 1.617 64.099 63.200 -1.196 0.000 0.944 552 S HN 0.824 nan 8.310 nan 0.000 0.536 553 Q N 0.192 120.077 119.800 0.142 0.000 2.650 553 Q HA 0.306 4.290 4.340 -0.593 0.000 0.239 553 Q C -0.598 175.518 176.000 0.194 0.000 0.893 553 Q CA -0.607 55.320 55.803 0.207 0.000 0.755 553 Q CB 0.763 29.691 28.738 0.318 0.000 1.349 553 Q HN 0.599 nan 8.270 nan 0.000 0.461 554 K N 1.443 121.941 120.400 0.163 0.000 2.393 554 K HA 0.206 4.171 4.320 -0.593 0.000 0.193 554 K C -0.203 176.496 176.600 0.164 0.000 1.026 554 K CA 0.299 56.700 56.287 0.189 0.000 1.064 554 K CB 0.879 33.506 32.500 0.212 0.000 0.833 554 K HN 0.368 nan 8.250 nan 0.000 0.521 555 V N 3.533 123.540 119.914 0.155 0.000 2.334 555 V HA 0.199 3.963 4.120 -0.593 0.000 0.281 555 V C -0.550 175.598 176.094 0.090 0.000 1.016 555 V CA -0.836 61.555 62.300 0.152 0.000 0.832 555 V CB 1.264 33.222 31.823 0.225 0.000 0.999 555 V HN 0.275 nan 8.190 nan 0.000 0.439 556 D N 2.237 122.675 120.400 0.064 0.000 2.677 556 D HA 0.292 4.577 4.640 -0.593 0.000 0.298 556 D C 0.337 176.656 176.300 0.031 0.000 1.250 556 D CA -0.084 53.948 54.000 0.052 0.000 0.888 556 D CB 1.515 42.361 40.800 0.077 0.000 1.397 556 D HN 0.348 nan 8.370 nan 0.000 0.461 557 T N -2.068 112.531 114.554 0.074 0.000 3.251 557 T HA 0.373 4.367 4.350 -0.593 0.000 0.259 557 T C 0.267 174.972 174.700 0.008 0.000 0.998 557 T CA -0.436 61.702 62.100 0.063 0.000 0.905 557 T CB -0.767 68.168 68.868 0.110 0.000 1.067 557 T HN 0.270 nan 8.240 nan 0.000 0.569 558 V N 2.523 122.350 119.914 -0.145 0.000 2.583 558 V HA 0.370 4.134 4.120 -0.593 0.000 0.287 558 V C 0.060 176.143 176.094 -0.018 0.000 1.051 558 V CA -1.022 61.159 62.300 -0.200 0.000 1.010 558 V CB 0.387 31.941 31.823 -0.448 0.000 0.988 558 V HN 0.622 nan 8.190 nan 0.000 0.478 559 F N 6.494 126.411 119.950 -0.055 0.000 2.438 559 F HA 0.570 4.742 4.527 -0.592 0.000 0.356 559 F C 0.432 176.226 175.800 -0.011 0.000 1.099 559 F CA -0.195 57.788 58.000 -0.029 0.000 1.185 559 F CB 0.268 39.263 39.000 -0.009 0.000 1.115 559 F HN 0.412 nan 8.300 nan 0.000 0.526 560 R N 6.052 126.100 120.500 -0.753 0.000 2.621 560 R HA 0.451 4.436 4.340 -0.593 0.000 0.284 560 R C -1.941 173.944 176.300 -0.692 0.000 0.998 560 R CA -1.246 54.534 56.100 -0.533 0.000 0.895 560 R CB 1.942 32.104 30.300 -0.231 0.000 1.195 560 R HN 0.482 nan 8.270 nan 0.000 0.450 561 L N 2.939 123.917 121.223 -0.409 0.000 2.287 561 L HA 0.335 4.319 4.340 -0.593 0.000 0.280 561 L C -0.071 176.784 176.870 -0.025 0.000 1.055 561 L CA 0.182 54.854 54.840 -0.281 0.000 0.863 561 L CB 0.635 42.702 42.059 0.014 0.000 1.245 561 L HN 0.790 nan 8.230 nan 0.000 0.432 562 S N 1.832 117.442 115.700 -0.151 0.000 2.810 562 S HA 0.320 4.435 4.470 -0.593 0.000 0.315 562 S C 0.561 174.878 174.600 -0.472 0.000 1.138 562 S CA -0.678 57.388 58.200 -0.223 0.000 0.889 562 S CB 0.599 63.752 63.200 -0.078 0.000 1.236 562 S HN 0.517 nan 8.310 nan 0.000 0.548 563 W N 1.339 122.070 121.300 -0.947 0.000 2.358 563 W HA 0.035 4.343 4.660 -0.587 0.000 0.303 563 W C 2.369 178.824 176.519 -0.106 0.000 1.208 563 W CA 2.100 59.059 57.345 -0.643 0.000 1.274 563 W CB -1.074 28.170 29.460 -0.359 0.000 1.138 563 W HN 0.826 nan 8.180 nan 0.000 0.515 564 A N -0.308 122.467 122.820 -0.074 0.000 1.978 564 A HA -0.208 3.756 4.320 -0.593 0.000 0.220 564 A C 1.946 179.424 177.584 -0.176 0.000 1.170 564 A CA 2.494 54.427 52.037 -0.174 0.000 0.636 564 A CB -1.301 17.697 19.000 -0.003 0.000 0.810 564 A HN 0.311 nan 8.150 nan 0.000 0.448 565 T N -1.185 113.285 114.554 -0.138 0.000 2.720 565 T HA -0.210 3.785 4.350 -0.593 0.000 0.268 565 T C 1.810 176.523 174.700 0.022 0.000 1.037 565 T CA 1.768 63.766 62.100 -0.169 0.000 1.144 565 T CB -0.475 68.133 68.868 -0.433 0.000 0.864 565 T HN 0.704 nan 8.240 nan 0.000 0.444 566 Y N 2.076 122.450 120.300 0.125 0.000 2.200 566 Y HA 0.003 4.197 4.550 -0.593 0.000 0.290 566 Y C 1.921 177.824 175.900 0.005 0.000 1.137 566 Y CA 0.821 59.047 58.100 0.212 0.000 1.163 566 Y CB -0.782 37.803 38.460 0.208 0.000 0.988 566 Y HN 0.127 nan 8.280 nan 0.000 0.518 567 L N 0.224 121.018 121.223 -0.715 0.000 2.042 567 L HA -0.221 3.764 4.340 -0.593 0.000 0.210 567 L C 2.816 179.443 176.870 -0.404 0.000 1.076 567 L CA 1.339 55.703 54.840 -0.794 0.000 0.749 567 L CB -1.040 40.603 42.059 -0.693 0.000 0.893 567 L HN 0.413 nan 8.230 nan 0.000 0.432 568 A N -0.930 121.738 122.820 -0.253 0.000 1.843 568 A HA -0.189 3.776 4.320 -0.593 0.000 0.213 568 A C 2.525 180.058 177.584 -0.085 0.000 1.202 568 A CA 1.702 53.651 52.037 -0.147 0.000 0.607 568 A CB -0.796 18.115 19.000 -0.149 0.000 0.847 568 A HN 0.328 nan 8.150 nan 0.000 0.445 569 S N -1.025 114.643 115.700 -0.053 0.000 2.353 569 S HA -0.160 3.954 4.470 -0.593 0.000 0.222 569 S C 2.012 176.647 174.600 0.059 0.000 1.035 569 S CA 2.526 60.743 58.200 0.028 0.000 1.025 569 S CB -0.528 62.743 63.200 0.117 0.000 0.902 569 S HN 0.589 nan 8.310 nan 0.000 0.440 570 T N 1.153 115.733 114.554 0.044 0.000 2.983 570 T HA 0.169 4.163 4.350 -0.593 0.000 0.250 570 T C 1.430 176.134 174.700 0.008 0.000 1.037 570 T CA 0.659 62.807 62.100 0.080 0.000 1.142 570 T CB -0.131 68.886 68.868 0.248 0.000 0.876 570 T HN 0.335 nan 8.240 nan 0.000 0.455 571 E N 1.176 121.289 120.200 -0.145 0.000 2.479 571 E HA 0.164 4.159 4.350 -0.593 0.000 0.193 571 E C -0.018 176.581 176.600 -0.001 0.000 1.049 571 E CA -0.074 56.277 56.400 -0.082 0.000 0.870 571 E CB -0.253 29.337 29.700 -0.182 0.000 0.944 571 E HN 0.453 nan 8.360 nan 0.000 0.492 572 N N 0.452 119.165 118.700 0.021 0.000 2.735 572 N HA -0.194 4.191 4.740 -0.593 0.000 0.248 572 N C -0.902 174.712 175.510 0.174 0.000 1.083 572 N CA 0.390 53.522 53.050 0.137 0.000 0.703 572 N CB -1.309 37.306 38.487 0.212 0.000 1.005 572 N HN 0.214 nan 8.380 nan 0.000 0.550 573 I N 0.695 121.292 120.570 0.045 0.000 2.392 573 I HA 0.335 4.150 4.170 -0.593 0.000 0.295 573 I C 0.665 176.778 176.117 -0.007 0.000 0.985 573 I CA -0.747 60.586 61.300 0.055 0.000 1.221 573 I CB 1.169 39.200 38.000 0.052 0.000 1.366 573 I HN 0.027 nan 8.210 nan 0.000 0.467 574 I N 6.343 126.919 120.570 0.011 0.000 2.441 574 I HA 0.199 4.013 4.170 -0.593 0.000 0.287 574 I C -0.443 175.672 176.117 -0.005 0.000 1.049 574 I CA -0.426 60.834 61.300 -0.067 0.000 1.381 574 I CB 1.089 39.058 38.000 -0.052 0.000 1.409 574 I HN 0.196 nan 8.210 nan 0.000 0.523 575 V N 6.272 126.168 119.914 -0.030 0.000 2.409 575 V HA 0.695 4.460 4.120 -0.593 0.000 0.291 575 V C 0.174 176.308 176.094 0.066 0.000 1.020 575 V CA -0.446 61.887 62.300 0.054 0.000 0.848 575 V CB 1.322 33.169 31.823 0.039 0.000 0.990 575 V HN 0.856 nan 8.190 nan 0.000 0.430 576 A N 3.777 126.679 122.820 0.138 0.000 2.384 576 A HA 0.962 4.927 4.320 -0.593 0.000 0.312 576 A C -0.357 177.401 177.584 0.291 0.000 1.113 576 A CA -0.543 51.583 52.037 0.147 0.000 0.779 576 A CB 2.021 21.007 19.000 -0.024 0.000 1.307 576 A HN 0.681 nan 8.150 nan 0.000 0.436 577 S N -0.339 115.569 115.700 0.346 0.000 2.569 577 S HA 0.798 4.912 4.470 -0.593 0.000 0.280 577 S C -1.576 173.367 174.600 0.572 0.000 1.111 577 S CA -0.297 58.144 58.200 0.402 0.000 0.887 577 S CB 1.404 64.778 63.200 0.290 0.000 1.095 577 S HN 0.884 nan 8.310 nan 0.000 0.476 578 F N 1.761 121.926 119.950 0.360 0.000 2.581 578 F HA 0.489 4.660 4.527 -0.593 0.000 0.311 578 F C -1.735 174.217 175.800 0.254 0.000 1.113 578 F CA -0.813 57.413 58.000 0.378 0.000 0.935 578 F CB 1.515 40.723 39.000 0.346 0.000 1.232 578 F HN 0.383 nan 8.300 nan 0.000 0.445 579 D N 4.377 124.469 120.400 -0.513 0.000 2.427 579 D HA 0.458 4.742 4.640 -0.593 0.000 0.226 579 D C 0.269 176.034 176.300 -0.891 0.000 1.076 579 D CA 0.107 53.852 54.000 -0.425 0.000 0.849 579 D CB 1.639 42.400 40.800 -0.064 0.000 1.052 579 D HN 0.790 nan 8.370 nan 0.000 0.515 580 G N 1.369 109.678 108.800 -0.819 0.000 2.940 580 G HA2 0.313 3.917 3.960 -0.593 0.000 0.164 580 G HA3 0.313 3.917 3.960 -0.593 0.000 0.164 580 G C 0.018 174.551 174.900 -0.612 0.000 1.326 580 G CA -0.727 43.750 45.100 -1.038 0.000 1.020 580 G HN 0.289 nan 8.290 nan 0.000 0.586 581 R N -0.469 119.754 120.500 -0.462 0.000 2.585 581 R HA 0.348 4.332 4.340 -0.593 0.000 0.275 581 R C 1.264 177.566 176.300 0.004 0.000 1.018 581 R CA 1.458 57.520 56.100 -0.062 0.000 1.072 581 R CB 0.387 30.714 30.300 0.045 0.000 0.953 581 R HN 1.096 nan 8.270 nan 0.000 0.419 582 G N 1.151 109.978 108.800 0.045 0.000 2.268 582 G HA2 -0.341 3.264 3.960 -0.593 0.000 0.240 582 G HA3 -0.341 3.264 3.960 -0.593 0.000 0.240 582 G C 0.182 175.044 174.900 -0.064 0.000 1.010 582 G CA 0.211 45.320 45.100 0.014 0.000 0.618 582 G HN 0.740 nan 8.290 nan 0.000 0.516 583 S N 0.497 116.155 115.700 -0.071 0.000 2.584 583 S HA 0.637 4.752 4.470 -0.593 0.000 0.270 583 S C 0.916 175.472 174.600 -0.074 0.000 1.346 583 S CA 0.576 58.724 58.200 -0.087 0.000 1.018 583 S CB 1.723 64.891 63.200 -0.054 0.000 0.899 583 S HN 1.681 nan 8.310 nan 0.000 0.542 584 G N -0.654 108.080 108.800 -0.109 0.000 2.642 584 G HA2 0.494 4.098 3.960 -0.593 0.000 0.291 584 G HA3 0.494 4.098 3.960 -0.593 0.000 0.291 584 G C -0.869 173.943 174.900 -0.145 0.000 1.345 584 G CA -0.991 43.931 45.100 -0.298 0.000 1.043 584 G HN 0.955 nan 8.290 nan 0.000 0.528 585 Y N -2.380 117.920 120.300 -0.000 0.000 4.798 585 Y HA -0.219 3.975 4.550 -0.593 0.000 0.237 585 Y C 1.479 177.410 175.900 0.052 0.000 1.017 585 Y CA 1.193 59.309 58.100 0.027 0.000 2.010 585 Y CB -1.994 36.498 38.460 0.053 0.000 1.582 585 Y HN 0.510 nan 8.280 nan 0.000 0.621 586 Q N 0.034 119.883 119.800 0.081 0.000 2.112 586 Q HA 0.509 4.494 4.340 -0.593 0.000 0.222 586 Q C 0.881 176.818 176.000 -0.105 0.000 0.798 586 Q CA 0.242 56.113 55.803 0.113 0.000 1.060 586 Q CB 1.599 30.424 28.738 0.145 0.000 1.184 586 Q HN 0.556 nan 8.270 nan 0.000 0.475 587 G N 0.685 109.285 108.800 -0.333 0.000 2.663 587 G HA2 -0.175 3.430 3.960 -0.593 0.000 0.686 587 G HA3 -0.175 3.430 3.960 -0.593 0.000 0.686 587 G C -0.457 174.083 174.900 -0.600 0.000 1.246 587 G CA -0.585 44.042 45.100 -0.789 0.000 0.795 587 G HN 0.120 nan 8.290 nan 0.000 0.627 588 D N 0.096 120.088 120.400 -0.680 0.000 2.219 588 D HA -0.070 4.215 4.640 -0.593 0.000 0.205 588 D C 2.161 178.139 176.300 -0.536 0.000 0.970 588 D CA 1.300 54.817 54.000 -0.805 0.000 0.851 588 D CB 0.048 40.322 40.800 -0.876 0.000 0.943 588 D HN 0.601 nan 8.370 nan 0.000 0.488 589 K N 0.413 120.589 120.400 -0.374 0.000 2.063 589 K HA -0.135 3.829 4.320 -0.593 0.000 0.208 589 K C 1.883 178.418 176.600 -0.109 0.000 1.048 589 K CA 0.812 56.983 56.287 -0.194 0.000 0.928 589 K CB 0.103 32.511 32.500 -0.153 0.000 0.713 589 K HN -0.012 nan 8.250 nan 0.000 0.442 590 I N 1.007 121.509 120.570 -0.113 0.000 2.193 590 I HA -0.220 3.594 4.170 -0.593 0.000 0.240 590 I C 2.480 178.593 176.117 -0.007 0.000 1.084 590 I CA 1.189 62.506 61.300 0.028 0.000 1.365 590 I CB -0.857 37.204 38.000 0.102 0.000 1.064 590 I HN 0.371 nan 8.210 nan 0.000 0.410 591 M N 0.063 119.575 119.600 -0.146 0.000 2.086 591 M HA -0.227 3.898 4.480 -0.593 0.000 0.261 591 M C 2.060 178.381 176.300 0.036 0.000 1.067 591 M CA 1.862 57.089 55.300 -0.121 0.000 1.116 591 M CB -0.391 32.029 32.600 -0.301 0.000 1.348 591 M HN 0.266 nan 8.290 nan 0.000 0.407 592 H N -0.708 118.241 119.070 -0.201 0.000 2.556 592 H HA 0.133 4.333 4.556 -0.593 0.000 0.268 592 H C 1.846 177.189 175.328 0.026 0.000 0.996 592 H CA 0.092 56.041 56.048 -0.165 0.000 1.157 592 H CB 0.080 29.654 29.762 -0.312 0.000 1.355 592 H HN 0.530 nan 8.280 nan 0.000 0.597 593 A N 1.577 124.504 122.820 0.179 0.000 2.024 593 A HA -0.134 3.830 4.320 -0.593 0.000 0.220 593 A C 2.046 179.816 177.584 0.311 0.000 1.164 593 A CA 1.125 53.307 52.037 0.242 0.000 0.643 593 A CB -0.627 18.507 19.000 0.224 0.000 0.806 593 A HN 0.585 nan 8.150 nan 0.000 0.451 594 I N -3.208 117.498 120.570 0.226 0.000 3.891 594 I HA 0.175 3.989 4.170 -0.593 0.000 0.331 594 I C 0.358 176.518 176.117 0.071 0.000 1.406 594 I CA -0.522 60.839 61.300 0.101 0.000 1.139 594 I CB -0.592 37.444 38.000 0.060 0.000 1.056 594 I HN 0.206 nan 8.210 nan 0.000 0.399 595 N N 2.934 121.734 118.700 0.168 0.000 2.356 595 N HA -0.071 4.313 4.740 -0.593 0.000 0.252 595 N C 0.201 175.698 175.510 -0.021 0.000 1.241 595 N CA 0.263 53.413 53.050 0.166 0.000 0.861 595 N CB 0.360 38.924 38.487 0.128 0.000 1.075 595 N HN 0.389 nan 8.380 nan 0.000 0.461 596 R N 0.280 120.735 120.500 -0.075 0.000 3.932 596 R HA -0.207 3.777 4.340 -0.593 0.000 0.318 596 R C -0.242 175.928 176.300 -0.217 0.000 1.219 596 R CA 1.523 57.518 56.100 -0.175 0.000 0.889 596 R CB -1.485 28.698 30.300 -0.194 0.000 1.309 596 R HN 0.766 nan 8.270 nan 0.000 0.537 597 R N -0.278 120.132 120.500 -0.149 0.000 2.583 597 R HA 0.248 4.233 4.340 -0.593 0.000 0.282 597 R C -0.524 175.748 176.300 -0.047 0.000 1.288 597 R CA -0.683 55.391 56.100 -0.042 0.000 1.415 597 R CB 0.193 30.429 30.300 -0.107 0.000 1.331 597 R HN -0.029 nan 8.270 nan 0.000 0.719 598 L N 0.952 122.120 121.223 -0.092 0.000 2.485 598 L HA 0.253 4.237 4.340 -0.593 0.000 0.275 598 L C 1.243 178.276 176.870 0.271 0.000 1.207 598 L CA 1.423 56.278 54.840 0.024 0.000 0.855 598 L CB 0.569 42.450 42.059 -0.297 0.000 1.114 598 L HN 0.843 nan 8.230 nan 0.000 0.485 599 G N 0.821 109.876 108.800 0.424 0.000 2.175 599 G HA2 -0.301 3.303 3.960 -0.593 0.000 0.244 599 G HA3 -0.301 3.303 3.960 -0.593 0.000 0.244 599 G C 0.530 175.515 174.900 0.142 0.000 0.982 599 G CA 0.567 45.887 45.100 0.366 0.000 0.641 599 G HN 0.791 nan 8.290 nan 0.000 0.527 600 T N -2.647 111.952 114.554 0.075 0.000 3.610 600 T HA 0.451 4.446 4.350 -0.593 0.000 0.209 600 T C 1.765 176.535 174.700 0.117 0.000 0.889 600 T CA 1.119 63.212 62.100 -0.013 0.000 1.469 600 T CB -0.225 68.484 68.868 -0.265 0.000 1.557 600 T HN 0.146 nan 8.240 nan 0.000 0.431 601 F N 3.508 123.511 119.950 0.088 0.000 2.171 601 F HA 0.079 4.251 4.527 -0.592 0.000 0.300 601 F C 2.780 178.621 175.800 0.067 0.000 1.090 601 F CA 0.971 59.007 58.000 0.060 0.000 1.293 601 F CB -0.903 38.111 39.000 0.024 0.000 1.013 601 F HN 0.493 nan 8.300 nan 0.000 0.486 602 E N 0.839 121.192 120.200 0.255 0.000 2.150 602 E HA -0.112 3.882 4.350 -0.593 0.000 0.193 602 E C 2.092 178.804 176.600 0.186 0.000 0.985 602 E CA 1.321 57.832 56.400 0.185 0.000 0.814 602 E CB -1.080 28.720 29.700 0.166 0.000 0.752 602 E HN 0.295 nan 8.360 nan 0.000 0.466 603 V N 1.650 121.667 119.914 0.172 0.000 2.323 603 V HA -0.196 3.569 4.120 -0.593 0.000 0.244 603 V C 2.295 178.453 176.094 0.107 0.000 1.041 603 V CA 2.080 64.444 62.300 0.106 0.000 1.025 603 V CB -0.554 31.293 31.823 0.040 0.000 0.656 603 V HN 0.209 nan 8.190 nan 0.000 0.451 604 E N 0.096 120.382 120.200 0.143 0.000 2.110 604 E HA -0.226 3.769 4.350 -0.593 0.000 0.193 604 E C 1.904 178.585 176.600 0.136 0.000 0.988 604 E CA 1.441 57.927 56.400 0.142 0.000 0.804 604 E CB -0.180 29.638 29.700 0.196 0.000 0.745 604 E HN 0.558 nan 8.360 nan 0.000 0.458 605 D N 0.381 120.884 120.400 0.172 0.000 2.178 605 D HA -0.130 4.155 4.640 -0.593 0.000 0.202 605 D C 1.983 178.356 176.300 0.122 0.000 0.974 605 D CA 0.750 54.852 54.000 0.171 0.000 0.841 605 D CB -0.085 40.843 40.800 0.214 0.000 0.953 605 D HN 0.092 nan 8.370 nan 0.000 0.478 606 Q N 0.138 120.042 119.800 0.173 0.000 2.084 606 Q HA -0.062 3.922 4.340 -0.593 0.000 0.202 606 Q C 2.554 178.613 176.000 0.098 0.000 0.978 606 Q CA 0.598 56.505 55.803 0.173 0.000 0.844 606 Q CB -0.139 28.706 28.738 0.178 0.000 0.898 606 Q HN 0.429 nan 8.270 nan 0.000 0.426 607 I N 0.864 121.499 120.570 0.109 0.000 2.163 607 I HA -0.235 3.579 4.170 -0.593 0.000 0.240 607 I C 2.279 178.370 176.117 -0.044 0.000 1.081 607 I CA 1.028 62.412 61.300 0.140 0.000 1.353 607 I CB -0.255 37.822 38.000 0.128 0.000 1.054 607 I HN 0.127 nan 8.210 nan 0.000 0.407 608 E N 0.964 121.102 120.200 -0.104 0.000 2.110 608 E HA -0.190 3.804 4.350 -0.593 0.000 0.193 608 E C 2.301 178.646 176.600 -0.426 0.000 0.988 608 E CA 1.420 57.695 56.400 -0.208 0.000 0.804 608 E CB -0.204 29.399 29.700 -0.161 0.000 0.745 608 E HN 0.494 nan 8.360 nan 0.000 0.458 609 A N 0.682 123.114 122.820 -0.647 0.000 1.902 609 A HA -0.141 3.824 4.320 -0.593 0.000 0.217 609 A C 2.437 179.221 177.584 -1.334 0.000 1.181 609 A CA 1.963 53.272 52.037 -1.214 0.000 0.623 609 A CB -0.777 17.027 19.000 -1.994 0.000 0.818 609 A HN 0.216 nan 8.150 nan 0.000 0.443 610 T N -0.775 113.325 114.554 -0.757 0.000 2.821 610 T HA -0.116 3.878 4.350 -0.593 0.000 0.267 610 T C 2.064 176.540 174.700 -0.373 0.000 1.046 610 T CA 1.433 63.263 62.100 -0.449 0.000 1.139 610 T CB -0.203 68.601 68.868 -0.106 0.000 0.871 610 T HN 0.483 nan 8.240 nan 0.000 0.454 611 R N 0.799 121.094 120.500 -0.340 0.000 2.091 611 R HA -0.106 3.878 4.340 -0.593 0.000 0.238 611 R C 2.698 178.842 176.300 -0.262 0.000 1.136 611 R CA 1.509 57.455 56.100 -0.256 0.000 0.959 611 R CB -0.128 30.051 30.300 -0.202 0.000 0.856 611 R HN 0.524 nan 8.270 nan 0.000 0.437 612 Q N -0.997 118.582 119.800 -0.368 0.000 2.119 612 Q HA -0.132 3.853 4.340 -0.593 0.000 0.201 612 Q C 1.844 177.728 176.000 -0.194 0.000 0.972 612 Q CA 1.059 56.681 55.803 -0.303 0.000 0.847 612 Q CB -0.027 28.488 28.738 -0.372 0.000 0.903 612 Q HN 0.266 nan 8.270 nan 0.000 0.433 613 F N 1.143 120.922 119.950 -0.285 0.000 2.134 613 F HA -0.176 3.995 4.527 -0.593 0.000 0.299 613 F C 2.714 178.352 175.800 -0.271 0.000 1.097 613 F CA 1.381 59.212 58.000 -0.282 0.000 1.264 613 F CB -1.264 37.604 39.000 -0.221 0.000 1.001 613 F HN 0.082 nan 8.300 nan 0.000 0.479 614 S N -0.553 115.118 115.700 -0.048 0.000 2.500 614 S HA -0.139 3.976 4.470 -0.593 0.000 0.239 614 S C 1.579 176.095 174.600 -0.140 0.000 0.989 614 S CA 0.823 58.958 58.200 -0.109 0.000 0.951 614 S CB -0.537 62.580 63.200 -0.137 0.000 0.759 614 S HN 0.429 nan 8.310 nan 0.000 0.523 615 K N 0.040 120.351 120.400 -0.148 0.000 2.367 615 K HA 0.359 4.324 4.320 -0.593 0.000 0.194 615 K C 1.549 178.040 176.600 -0.181 0.000 1.027 615 K CA 0.027 56.228 56.287 -0.143 0.000 1.075 615 K CB -0.090 32.337 32.500 -0.120 0.000 0.845 615 K HN 0.385 nan 8.250 nan 0.000 0.529 616 M N -0.343 119.088 119.600 -0.281 0.000 2.446 616 M HA -0.088 4.036 4.480 -0.593 0.000 0.263 616 M C 1.335 177.373 176.300 -0.436 0.000 1.066 616 M CA 1.521 56.572 55.300 -0.415 0.000 1.087 616 M CB 0.028 32.197 32.600 -0.718 0.000 1.406 616 M HN 0.518 nan 8.290 nan 0.000 0.459 617 G N 0.343 108.937 108.800 -0.343 0.000 2.308 617 G HA2 -0.298 3.306 3.960 -0.593 0.000 0.221 617 G HA3 -0.298 3.306 3.960 -0.593 0.000 0.221 617 G C 0.530 175.392 174.900 -0.064 0.000 1.032 617 G CA 0.231 45.234 45.100 -0.162 0.000 0.623 617 G HN 0.554 nan 8.290 nan 0.000 0.506 618 F N 1.291 121.302 119.950 0.102 0.000 2.660 618 F HA 0.766 4.937 4.527 -0.593 0.000 0.302 618 F C 0.301 176.227 175.800 0.209 0.000 1.103 618 F CA -1.223 56.875 58.000 0.163 0.000 1.340 618 F CB -0.016 39.136 39.000 0.253 0.000 1.048 618 F HN 0.103 nan 8.300 nan 0.000 0.551 619 V N 1.676 121.632 119.914 0.070 0.000 2.435 619 V HA 0.192 3.956 4.120 -0.593 0.000 0.290 619 V C -0.585 175.513 176.094 0.007 0.000 1.030 619 V CA -0.815 61.535 62.300 0.083 0.000 0.881 619 V CB 1.525 33.330 31.823 -0.030 0.000 0.983 619 V HN 0.092 nan 8.190 nan 0.000 0.445 620 D N 3.981 124.379 120.400 -0.003 0.000 2.422 620 D HA 0.047 4.331 4.640 -0.593 0.000 0.227 620 D C 1.176 177.424 176.300 -0.087 0.000 1.190 620 D CA -0.335 53.628 54.000 -0.062 0.000 0.905 620 D CB 0.888 41.629 40.800 -0.100 0.000 1.034 620 D HN 0.720 nan 8.370 nan 0.000 0.507 621 D N 2.860 123.213 120.400 -0.080 0.000 2.351 621 D HA -0.187 4.098 4.640 -0.593 0.000 0.216 621 D C 0.740 176.993 176.300 -0.079 0.000 0.968 621 D CA 0.505 54.450 54.000 -0.091 0.000 0.899 621 D CB 0.183 40.929 40.800 -0.090 0.000 0.907 621 D HN 0.416 nan 8.370 nan 0.000 0.514 622 K N -0.046 120.314 120.400 -0.067 0.000 2.459 622 K HA 0.118 4.082 4.320 -0.593 0.000 0.193 622 K C 0.625 177.209 176.600 -0.028 0.000 1.030 622 K CA 0.151 56.414 56.287 -0.039 0.000 1.026 622 K CB 0.474 32.954 32.500 -0.033 0.000 0.809 622 K HN -0.010 nan 8.250 nan 0.000 0.504 623 R N 1.262 121.706 120.500 -0.094 0.000 2.644 623 R HA 0.351 4.336 4.340 -0.593 0.000 0.271 623 R C -1.066 175.110 176.300 -0.206 0.000 1.687 623 R CA -0.123 55.877 56.100 -0.166 0.000 1.655 623 R CB 0.678 30.711 30.300 -0.444 0.000 1.285 623 R HN -0.005 nan 8.270 nan 0.000 0.643 624 I N 0.990 121.606 120.570 0.076 0.000 2.465 624 I HA 0.649 4.464 4.170 -0.593 0.000 0.291 624 I C -0.074 176.318 176.117 0.457 0.000 1.014 624 I CA -0.877 60.514 61.300 0.152 0.000 1.093 624 I CB 2.019 39.944 38.000 -0.125 0.000 1.267 624 I HN 0.336 nan 8.210 nan 0.000 0.431 625 A N 6.685 129.897 122.820 0.654 0.000 2.437 625 A HA 0.943 4.908 4.320 -0.593 0.000 0.292 625 A C -1.264 176.739 177.584 0.698 0.000 1.173 625 A CA -0.660 51.778 52.037 0.668 0.000 0.785 625 A CB 2.292 21.570 19.000 0.464 0.000 1.351 625 A HN 0.738 nan 8.150 nan 0.000 0.431 626 I N 0.178 121.045 120.570 0.494 0.000 2.752 626 I HA 0.707 4.522 4.170 -0.593 0.000 0.295 626 I C -1.953 174.420 176.117 0.427 0.000 1.219 626 I CA -0.542 60.971 61.300 0.355 0.000 1.030 626 I CB 1.716 39.638 38.000 -0.130 0.000 1.259 626 I HN 0.955 nan 8.210 nan 0.000 0.423 627 W N 6.791 128.225 121.300 0.222 0.000 3.137 627 W HA 0.860 5.162 4.660 -0.598 0.000 0.324 627 W C -1.478 175.185 176.519 0.240 0.000 1.253 627 W CA -0.950 56.531 57.345 0.227 0.000 1.183 627 W CB 1.058 30.702 29.460 0.306 0.000 1.424 627 W HN 0.857 nan 8.180 nan 0.000 0.566 628 G N 0.536 109.228 108.800 -0.179 0.000 2.547 628 G HA2 0.417 4.022 3.960 -0.593 0.000 0.291 628 G HA3 0.417 4.022 3.960 -0.593 0.000 0.291 628 G C -2.712 172.089 174.900 -0.165 0.000 1.471 628 G CA -0.788 44.029 45.100 -0.471 0.000 0.798 628 G HN 0.606 nan 8.290 nan 0.000 0.504 629 W N 1.034 122.138 121.300 -0.325 0.000 2.627 629 W HA 0.574 4.881 4.660 -0.589 0.000 0.339 629 W C 0.922 177.379 176.519 -0.103 0.000 1.058 629 W CA 0.622 57.867 57.345 -0.166 0.000 1.223 629 W CB 1.677 31.032 29.460 -0.176 0.000 1.389 629 W HN 1.081 nan 8.180 nan 0.000 0.541 630 S N 1.541 117.421 115.700 0.301 0.000 4.114 630 S HA -0.433 3.682 4.470 -0.593 0.000 0.618 630 S C 0.819 175.511 174.600 0.153 0.000 1.937 630 S CA 1.646 59.996 58.200 0.250 0.000 4.228 630 S CB -1.557 61.817 63.200 0.289 0.000 0.216 630 S HN 0.738 nan 8.310 nan 0.000 0.528 631 Y N 3.094 123.462 120.300 0.112 0.000 2.207 631 Y HA -0.020 4.175 4.550 -0.591 0.000 0.287 631 Y C 2.448 178.538 175.900 0.317 0.000 1.156 631 Y CA 2.205 60.471 58.100 0.276 0.000 1.182 631 Y CB -1.008 37.729 38.460 0.463 0.000 0.979 631 Y HN 0.548 nan 8.280 nan 0.000 0.521 632 G N -1.063 107.982 108.800 0.408 0.000 2.432 632 G HA2 -0.214 3.391 3.960 -0.593 0.000 0.219 632 G HA3 -0.214 3.391 3.960 -0.593 0.000 0.219 632 G C 1.896 176.872 174.900 0.127 0.000 1.135 632 G CA 0.726 45.985 45.100 0.265 0.000 0.767 632 G HN 0.574 nan 8.290 nan 0.000 0.550 633 G N -0.279 108.580 108.800 0.099 0.000 2.403 633 G HA2 -0.187 3.417 3.960 -0.593 0.000 0.216 633 G HA3 -0.187 3.417 3.960 -0.593 0.000 0.216 633 G C 1.573 176.515 174.900 0.070 0.000 1.154 633 G CA 1.007 46.143 45.100 0.059 0.000 0.784 633 G HN 0.415 nan 8.290 nan 0.000 0.538 634 Y N 1.462 121.704 120.300 -0.097 0.000 2.114 634 Y HA -0.125 4.068 4.550 -0.595 0.000 0.284 634 Y C 2.763 178.605 175.900 -0.096 0.000 1.143 634 Y CA 1.660 59.647 58.100 -0.188 0.000 1.135 634 Y CB -0.477 37.718 38.460 -0.442 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.237 119.600 119.914 -0.128 0.000 2.343 635 V HA -0.331 3.433 4.120 -0.593 0.000 0.247 635 V C 2.325 178.336 176.094 -0.139 0.000 1.051 635 V CA 2.402 64.624 62.300 -0.131 0.000 1.036 635 V CB -1.274 30.641 31.823 0.154 0.000 0.654 635 V HN 0.493 nan 8.190 nan 0.000 0.451 636 T N 0.122 114.645 114.554 -0.052 0.000 2.665 636 T HA -0.219 3.775 4.350 -0.593 0.000 0.268 636 T C 2.128 176.766 174.700 -0.104 0.000 1.035 636 T CA 2.128 64.195 62.100 -0.055 0.000 1.151 636 T CB -0.286 68.627 68.868 0.076 0.000 0.862 636 T HN 0.560 nan 8.240 nan 0.000 0.438 637 S N 1.051 116.715 115.700 -0.060 0.000 2.355 637 S HA -0.007 4.107 4.470 -0.593 0.000 0.222 637 S C 2.153 176.649 174.600 -0.173 0.000 1.031 637 S CA 0.914 59.087 58.200 -0.044 0.000 0.993 637 S CB -0.286 62.946 63.200 0.052 0.000 0.859 637 S HN 0.311 nan 8.310 nan 0.000 0.453 638 M N 1.157 120.575 119.600 -0.304 0.000 2.149 638 M HA -0.043 4.081 4.480 -0.593 0.000 0.261 638 M C 2.228 178.375 176.300 -0.255 0.000 1.064 638 M CA 1.077 56.194 55.300 -0.305 0.000 1.102 638 M CB -1.527 30.806 32.600 -0.445 0.000 1.369 638 M HN 0.172 nan 8.290 nan 0.000 0.408 639 V N 0.667 120.422 119.914 -0.265 0.000 2.295 639 V HA -0.251 3.513 4.120 -0.593 0.000 0.246 639 V C 2.550 178.447 176.094 -0.328 0.000 1.049 639 V CA 1.472 63.608 62.300 -0.273 0.000 1.024 639 V CB -0.682 30.906 31.823 -0.392 0.000 0.648 639 V HN 0.406 nan 8.190 nan 0.000 0.447 640 L N 0.432 121.394 121.223 -0.435 0.000 2.131 640 L HA -0.081 3.904 4.340 -0.593 0.000 0.210 640 L C 2.335 178.715 176.870 -0.818 0.000 1.092 640 L CA 1.574 56.072 54.840 -0.569 0.000 0.759 640 L CB -0.843 40.807 42.059 -0.682 0.000 0.903 640 L HN 0.495 nan 8.230 nan 0.000 0.435 641 G N -1.199 107.114 108.800 -0.812 0.000 2.985 641 G HA2 0.123 3.727 3.960 -0.593 0.000 0.209 641 G HA3 0.123 3.727 3.960 -0.593 0.000 0.209 641 G C 1.543 176.284 174.900 -0.264 0.000 1.165 641 G CA 0.534 45.265 45.100 -0.614 0.000 0.776 641 G HN 0.401 nan 8.290 nan 0.000 0.541 642 A N 0.023 122.711 122.820 -0.219 0.000 2.067 642 A HA 0.432 4.396 4.320 -0.593 0.000 0.217 642 A C 2.109 179.648 177.584 -0.075 0.000 1.156 642 A CA 1.356 53.328 52.037 -0.107 0.000 0.683 642 A CB -0.410 18.550 19.000 -0.067 0.000 0.808 642 A HN 1.461 nan 8.150 nan 0.000 0.455 643 G N -0.156 108.586 108.800 -0.097 0.000 2.198 643 G HA2 -0.277 3.327 3.960 -0.593 0.000 0.257 643 G HA3 -0.277 3.327 3.960 -0.593 0.000 0.257 643 G C 0.944 175.835 174.900 -0.015 0.000 1.042 643 G CA 1.241 46.308 45.100 -0.054 0.000 0.791 643 G HN 1.454 nan 8.290 nan 0.000 0.502 644 S N -0.925 114.780 115.700 0.009 0.000 2.489 644 S HA 0.331 4.446 4.470 -0.593 0.000 0.228 644 S C 2.466 177.079 174.600 0.022 0.000 0.995 644 S CA 1.424 59.642 58.200 0.031 0.000 0.934 644 S CB -0.080 63.169 63.200 0.081 0.000 0.771 644 S HN 2.368 nan 8.310 nan 0.000 0.522 645 G N 0.299 109.116 108.800 0.029 0.000 2.196 645 G HA2 -0.308 3.297 3.960 -0.593 0.000 0.268 645 G HA3 -0.308 3.297 3.960 -0.593 0.000 0.268 645 G C 0.765 175.664 174.900 -0.002 0.000 0.975 645 G CA 0.509 45.618 45.100 0.016 0.000 0.648 645 G HN 0.662 nan 8.290 nan 0.000 0.538 646 V N -0.663 119.251 119.914 0.001 0.000 2.488 646 V HA 0.266 4.030 4.120 -0.593 0.000 0.246 646 V C 1.200 177.120 176.094 -0.290 0.000 1.046 646 V CA 1.461 63.651 62.300 -0.183 0.000 1.053 646 V CB -0.323 31.308 31.823 -0.320 0.000 0.679 646 V HN 0.287 nan 8.190 nan 0.000 0.458 647 F N 0.145 120.113 119.950 0.030 0.000 2.420 647 F HA 0.400 4.573 4.527 -0.590 0.000 0.342 647 F C 1.119 176.968 175.800 0.082 0.000 1.113 647 F CA -0.600 57.446 58.000 0.076 0.000 1.059 647 F CB 1.292 40.341 39.000 0.082 0.000 1.128 647 F HN -0.225 nan 8.300 nan 0.000 0.475 648 K N 1.781 122.346 120.400 0.274 0.000 2.116 648 K HA 0.053 4.018 4.320 -0.593 0.000 0.203 648 K C -0.055 176.685 176.600 0.233 0.000 1.052 648 K CA 1.023 57.439 56.287 0.215 0.000 0.952 648 K CB 0.211 32.841 32.500 0.217 0.000 0.729 648 K HN 0.809 nan 8.250 nan 0.000 0.446 649 c N -3.038 115.745 118.600 0.305 0.000 3.321 649 c HA 0.882 5.097 4.570 -0.593 0.000 0.329 649 c C -0.253 174.071 174.090 0.390 0.000 1.394 649 c CA -0.640 55.885 56.329 0.326 0.000 1.291 649 c CB 1.131 43.776 42.510 0.226 0.000 1.606 649 c HN 0.338 nan 8.230 nan 0.000 0.463 650 G N -0.022 109.063 108.800 0.476 0.000 2.646 650 G HA2 0.732 4.337 3.960 -0.593 0.000 0.291 650 G HA3 0.732 4.337 3.960 -0.593 0.000 0.291 650 G C -2.001 173.156 174.900 0.428 0.000 1.445 650 G CA -0.709 44.650 45.100 0.432 0.000 0.814 650 G HN 1.013 nan 8.290 nan 0.000 0.495 651 I N 0.682 121.461 120.570 0.349 0.000 2.466 651 I HA 0.615 4.430 4.170 -0.593 0.000 0.289 651 I C 0.103 176.353 176.117 0.222 0.000 1.026 651 I CA -0.964 60.424 61.300 0.147 0.000 1.078 651 I CB 2.238 40.306 38.000 0.114 0.000 1.249 651 I HN 0.658 nan 8.210 nan 0.000 0.429 652 A N 6.388 129.243 122.820 0.058 0.000 2.318 652 A HA 0.795 4.759 4.320 -0.593 0.000 0.317 652 A C -0.792 176.711 177.584 -0.135 0.000 1.159 652 A CA -0.521 51.550 52.037 0.057 0.000 0.799 652 A CB 1.270 20.372 19.000 0.172 0.000 1.194 652 A HN 0.438 nan 8.150 nan 0.000 0.479 653 V N 2.119 121.888 119.914 -0.241 0.000 2.384 653 V HA 0.567 4.331 4.120 -0.593 0.000 0.287 653 V C 0.910 176.610 176.094 -0.657 0.000 1.020 653 V CA 0.329 62.262 62.300 -0.611 0.000 0.850 653 V CB 0.780 31.870 31.823 -1.221 0.000 0.987 653 V HN 2.118 nan 8.190 nan 0.000 0.436 654 A N 5.700 128.138 122.820 -0.636 0.000 2.415 654 A HA -0.104 3.861 4.320 -0.593 0.000 0.292 654 A C -1.767 175.654 177.584 -0.272 0.000 1.452 654 A CA 0.501 52.056 52.037 -0.804 0.000 0.750 654 A CB -1.510 17.146 19.000 -0.573 0.000 1.099 654 A HN 0.617 nan 8.150 nan 0.000 0.391 655 P HA 0.471 nan 4.420 nan 0.000 0.279 655 P C 0.076 177.345 177.300 -0.052 0.000 1.252 655 P CA -0.351 62.727 63.100 -0.036 0.000 0.811 655 P CB 1.422 33.131 31.700 0.014 0.000 1.035 656 V N 1.900 121.693 119.914 -0.202 0.000 2.649 656 V HA 0.099 3.864 4.120 -0.593 0.000 0.292 656 V C 1.674 177.611 176.094 -0.261 0.000 1.055 656 V CA 0.857 62.902 62.300 -0.424 0.000 1.023 656 V CB 0.859 32.018 31.823 -1.107 0.000 0.992 656 V HN 0.839 nan 8.190 nan 0.000 0.480 657 S N 3.037 118.622 115.700 -0.191 0.000 2.549 657 S HA 0.295 4.409 4.470 -0.593 0.000 0.225 657 S C 0.314 174.805 174.600 -0.183 0.000 1.039 657 S CA -0.236 57.916 58.200 -0.080 0.000 0.942 657 S CB 0.248 63.444 63.200 -0.005 0.000 0.881 657 S HN 0.658 nan 8.310 nan 0.000 0.503 658 K N -0.397 119.793 120.400 -0.349 0.000 2.589 658 K HA 0.290 4.254 4.320 -0.593 0.000 0.253 658 K C -0.938 175.406 176.600 -0.426 0.000 0.974 658 K CA -0.694 55.329 56.287 -0.440 0.000 0.835 658 K CB 0.601 32.699 32.500 -0.671 0.000 1.272 658 K HN 0.136 nan 8.250 nan 0.000 0.444 659 W N 2.226 123.500 121.300 -0.044 0.000 2.350 659 W HA -0.147 4.162 4.660 -0.584 0.000 0.289 659 W C 1.249 177.922 176.519 0.256 0.000 1.215 659 W CA 1.033 58.438 57.345 0.101 0.000 1.236 659 W CB 0.229 29.706 29.460 0.029 0.000 1.130 659 W HN 0.750 nan 8.180 nan 0.000 0.541 660 E N -1.042 119.351 120.200 0.322 0.000 2.333 660 E HA -0.208 3.786 4.350 -0.593 0.000 0.198 660 E C 1.322 178.063 176.600 0.235 0.000 1.007 660 E CA 0.890 57.400 56.400 0.183 0.000 0.845 660 E CB -0.288 29.395 29.700 -0.028 0.000 0.766 660 E HN 0.396 nan 8.360 nan 0.000 0.507 661 Y N -1.439 118.966 120.300 0.174 0.000 2.523 661 Y HA 0.052 4.257 4.550 -0.575 0.000 0.279 661 Y C 0.741 176.762 175.900 0.201 0.000 1.139 661 Y CA -0.292 57.883 58.100 0.126 0.000 1.296 661 Y CB -0.412 38.069 38.460 0.034 0.000 1.045 661 Y HN 0.024 nan 8.280 nan 0.000 0.538 662 Y N 1.940 122.415 120.300 0.291 0.000 2.340 662 Y HA 0.277 4.469 4.550 -0.598 0.000 0.327 662 Y C 0.403 176.531 175.900 0.379 0.000 1.321 662 Y CA -2.092 56.181 58.100 0.289 0.000 1.433 662 Y CB 0.308 38.966 38.460 0.331 0.000 1.373 662 Y HN 0.200 nan 8.280 nan 0.000 0.538 663 D N -0.570 119.557 120.400 -0.456 0.000 2.368 663 D HA 0.081 4.365 4.640 -0.593 0.000 0.240 663 D C 0.963 177.243 176.300 -0.033 0.000 1.169 663 D CA 0.408 54.222 54.000 -0.310 0.000 0.906 663 D CB 0.807 41.209 40.800 -0.665 0.000 1.187 663 D HN 0.478 nan 8.370 nan 0.000 0.435 664 S N 0.971 116.659 115.700 -0.020 0.000 2.348 664 S HA -0.213 3.902 4.470 -0.593 0.000 0.221 664 S C 1.928 176.557 174.600 0.047 0.000 1.033 664 S CA 1.162 59.401 58.200 0.065 0.000 1.010 664 S CB -1.015 62.228 63.200 0.071 0.000 0.891 664 S HN 0.427 nan 8.310 nan 0.000 0.442 665 V N 0.994 120.874 119.914 -0.057 0.000 2.233 665 V HA -0.198 3.566 4.120 -0.593 0.000 0.247 665 V C 2.327 178.363 176.094 -0.096 0.000 1.050 665 V CA 2.367 64.558 62.300 -0.181 0.000 1.010 665 V CB -1.112 30.456 31.823 -0.425 0.000 0.637 665 V HN 0.609 nan 8.190 nan 0.000 0.444 666 Y N 1.190 121.435 120.300 -0.092 0.000 2.133 666 Y HA -0.228 3.969 4.550 -0.589 0.000 0.287 666 Y C 2.754 178.665 175.900 0.020 0.000 1.134 666 Y CA 2.334 60.456 58.100 0.037 0.000 1.133 666 Y CB -0.667 38.001 38.460 0.346 0.000 0.987 666 Y HN 0.221 nan 8.280 nan 0.000 0.502 667 T N 0.457 115.265 114.554 0.423 0.000 2.652 667 T HA -0.230 3.764 4.350 -0.593 0.000 0.267 667 T C 1.586 176.265 174.700 -0.034 0.000 1.039 667 T CA 2.034 64.299 62.100 0.275 0.000 1.153 667 T CB -0.342 68.826 68.868 0.499 0.000 0.863 667 T HN 0.454 nan 8.240 nan 0.000 0.428 668 E N 0.407 120.612 120.200 0.008 0.000 2.204 668 E HA -0.104 3.891 4.350 -0.593 0.000 0.194 668 E C 2.353 178.819 176.600 -0.224 0.000 0.989 668 E CA 0.521 56.908 56.400 -0.022 0.000 0.824 668 E CB -0.120 29.613 29.700 0.056 0.000 0.756 668 E HN 0.323 nan 8.360 nan 0.000 0.477 669 R N 0.069 120.283 120.500 -0.476 0.000 2.103 669 R HA -0.203 3.781 4.340 -0.593 0.000 0.242 669 R C 1.287 177.027 176.300 -0.932 0.000 1.142 669 R CA 1.692 57.315 56.100 -0.794 0.000 0.960 669 R CB -0.035 29.449 30.300 -1.361 0.000 0.858 669 R HN 0.241 nan 8.270 nan 0.000 0.439 670 Y N -2.462 117.491 120.300 -0.577 0.000 2.507 670 Y HA 0.224 4.418 4.550 -0.594 0.000 0.263 670 Y C 1.693 177.352 175.900 -0.402 0.000 1.093 670 Y CA -0.015 57.721 58.100 -0.606 0.000 1.285 670 Y CB 0.400 38.356 38.460 -0.840 0.000 1.115 670 Y HN -0.028 nan 8.280 nan 0.000 0.533 671 M N -0.558 118.882 119.600 -0.267 0.000 2.367 671 M HA 0.372 4.497 4.480 -0.593 0.000 0.256 671 M C 1.149 177.416 176.300 -0.054 0.000 1.091 671 M CA 0.840 55.967 55.300 -0.289 0.000 1.049 671 M CB -0.294 31.893 32.600 -0.688 0.000 1.406 671 M HN 0.349 nan 8.290 nan 0.000 0.498 672 G N 1.688 110.493 108.800 0.009 0.000 2.553 672 G HA2 -0.209 3.396 3.960 -0.593 0.000 0.242 672 G HA3 -0.209 3.396 3.960 -0.593 0.000 0.242 672 G C -0.825 174.209 174.900 0.223 0.000 1.277 672 G CA -0.788 44.362 45.100 0.084 0.000 0.910 672 G HN 0.236 nan 8.290 nan 0.000 0.576 673 L N 2.714 124.037 121.223 0.166 0.000 2.325 673 L HA 0.525 4.510 4.340 -0.593 0.000 0.279 673 L C -1.306 175.577 176.870 0.021 0.000 1.054 673 L CA -1.805 53.089 54.840 0.090 0.000 0.804 673 L CB 1.325 43.398 42.059 0.023 0.000 1.200 673 L HN 0.431 nan 8.230 nan 0.000 0.436 674 P HA 0.091 nan 4.420 nan 0.000 0.218 674 P C -0.684 176.483 177.300 -0.222 0.000 1.793 674 P CA -0.152 62.565 63.100 -0.639 0.000 0.941 674 P CB -0.446 30.567 31.700 -1.144 0.000 1.919 675 T N -2.943 111.565 114.554 -0.076 0.000 2.908 675 T HA 0.452 4.447 4.350 -0.593 0.000 0.290 675 T C -1.986 172.721 174.700 0.011 0.000 1.034 675 T CA -2.400 59.681 62.100 -0.031 0.000 1.010 675 T CB 2.002 70.858 68.868 -0.020 0.000 1.068 675 T HN -0.198 nan 8.240 nan 0.000 0.481 676 P HA -0.042 nan 4.420 nan 0.000 0.222 676 P C 0.791 178.110 177.300 0.032 0.000 1.147 676 P CA 1.008 64.126 63.100 0.030 0.000 0.790 676 P CB 0.238 31.951 31.700 0.021 0.000 0.780 677 E N -0.341 119.871 120.200 0.020 0.000 2.106 677 E HA -0.115 3.879 4.350 -0.593 0.000 0.192 677 E C 1.670 178.284 176.600 0.025 0.000 0.984 677 E CA 1.080 57.490 56.400 0.018 0.000 0.806 677 E CB -0.529 29.176 29.700 0.008 0.000 0.750 677 E HN 0.312 nan 8.360 nan 0.000 0.458 678 D N -0.770 119.650 120.400 0.034 0.000 2.685 678 D HA 0.082 4.367 4.640 -0.593 0.000 0.254 678 D C 0.403 176.749 176.300 0.078 0.000 1.414 678 D CA 0.193 54.221 54.000 0.046 0.000 1.145 678 D CB -0.102 40.727 40.800 0.047 0.000 0.941 678 D HN 0.008 nan 8.370 nan 0.000 0.250 679 N N -0.067 118.717 118.700 0.139 0.000 2.291 679 N HA 0.039 4.424 4.740 -0.593 0.000 0.244 679 N C 1.335 177.063 175.510 0.363 0.000 1.216 679 N CA -0.159 53.021 53.050 0.217 0.000 0.879 679 N CB 0.670 39.278 38.487 0.202 0.000 1.167 679 N HN 0.005 nan 8.380 nan 0.000 0.515 680 L N 1.346 122.711 121.223 0.236 0.000 2.021 680 L HA -0.214 3.770 4.340 -0.593 0.000 0.215 680 L C 1.406 178.420 176.870 0.239 0.000 1.074 680 L CA 2.008 56.966 54.840 0.197 0.000 0.760 680 L CB -0.473 41.628 42.059 0.070 0.000 0.889 680 L HN 0.169 nan 8.230 nan 0.000 0.433 681 D N -1.403 119.128 120.400 0.218 0.000 2.133 681 D HA -0.247 4.038 4.640 -0.593 0.000 0.195 681 D C 2.048 178.434 176.300 0.143 0.000 0.997 681 D CA 1.725 55.827 54.000 0.170 0.000 0.840 681 D CB -0.306 40.607 40.800 0.188 0.000 0.947 681 D HN 0.451 nan 8.370 nan 0.000 0.452 682 Y N -0.927 119.436 120.300 0.104 0.000 2.457 682 Y HA -0.050 4.144 4.550 -0.593 0.000 0.292 682 Y C 1.980 177.937 175.900 0.095 0.000 1.125 682 Y CA 0.276 58.413 58.100 0.062 0.000 1.254 682 Y CB -0.414 38.040 38.460 -0.011 0.000 1.012 682 Y HN 0.067 nan 8.280 nan 0.000 0.555 683 Y N -0.370 120.042 120.300 0.188 0.000 2.220 683 Y HA -0.158 4.035 4.550 -0.594 0.000 0.291 683 Y C 2.464 178.431 175.900 0.112 0.000 1.129 683 Y CA 1.365 59.568 58.100 0.172 0.000 1.161 683 Y CB -0.138 38.401 38.460 0.132 0.000 0.997 683 Y HN -0.106 nan 8.280 nan 0.000 0.522 684 R N 0.283 120.920 120.500 0.229 0.000 2.092 684 R HA -0.123 3.861 4.340 -0.593 0.000 0.231 684 R C 1.396 177.726 176.300 0.051 0.000 1.119 684 R CA 1.414 57.577 56.100 0.105 0.000 0.970 684 R CB -0.350 29.989 30.300 0.066 0.000 0.864 684 R HN 0.407 nan 8.270 nan 0.000 0.440 685 N N 0.014 118.719 118.700 0.009 0.000 2.268 685 N HA -0.045 4.340 4.740 -0.593 0.000 0.204 685 N C 0.174 175.684 175.510 0.001 0.000 1.124 685 N CA 0.413 53.443 53.050 -0.033 0.000 0.838 685 N CB 0.566 38.983 38.487 -0.117 0.000 0.994 685 N HN 0.027 nan 8.380 nan 0.000 0.489 686 S N -1.418 114.334 115.700 0.087 0.000 2.575 686 S HA 0.083 4.197 4.470 -0.593 0.000 0.237 686 S C 0.565 175.300 174.600 0.226 0.000 0.975 686 S CA -0.453 57.860 58.200 0.189 0.000 0.960 686 S CB -0.640 62.749 63.200 0.315 0.000 0.822 686 S HN 0.353 nan 8.310 nan 0.000 0.472 687 T N -1.087 113.532 114.554 0.108 0.000 2.913 687 T HA 0.499 4.494 4.350 -0.593 0.000 0.287 687 T C 1.328 176.050 174.700 0.037 0.000 1.008 687 T CA -0.582 61.550 62.100 0.053 0.000 1.067 687 T CB 1.320 70.176 68.868 -0.020 0.000 0.996 687 T HN -0.052 nan 8.240 nan 0.000 0.513 688 V N 1.956 121.881 119.914 0.017 0.000 2.427 688 V HA -0.127 3.637 4.120 -0.593 0.000 0.248 688 V C 2.598 178.668 176.094 -0.041 0.000 1.051 688 V CA 1.592 63.879 62.300 -0.021 0.000 1.048 688 V CB -0.992 30.804 31.823 -0.046 0.000 0.666 688 V HN 0.821 nan 8.190 nan 0.000 0.456 689 M N 1.245 120.806 119.600 -0.065 0.000 2.149 689 M HA -0.163 3.961 4.480 -0.593 0.000 0.261 689 M C 2.331 178.607 176.300 -0.040 0.000 1.064 689 M CA 2.098 57.349 55.300 -0.081 0.000 1.102 689 M CB -1.038 31.524 32.600 -0.063 0.000 1.369 689 M HN 0.525 nan 8.290 nan 0.000 0.408 690 S N -0.223 115.467 115.700 -0.016 0.000 2.469 690 S HA -0.103 4.011 4.470 -0.593 0.000 0.238 690 S C 1.782 176.389 174.600 0.011 0.000 0.998 690 S CA 0.829 59.027 58.200 -0.004 0.000 0.957 690 S CB -0.454 62.744 63.200 -0.003 0.000 0.764 690 S HN 0.549 nan 8.310 nan 0.000 0.514 691 R N 0.282 120.802 120.500 0.035 0.000 2.432 691 R HA 0.471 4.455 4.340 -0.593 0.000 0.260 691 R C 2.168 178.576 176.300 0.180 0.000 0.935 691 R CA 0.411 56.560 56.100 0.081 0.000 1.080 691 R CB -0.182 30.165 30.300 0.079 0.000 1.155 691 R HN 0.452 nan 8.270 nan 0.000 0.531 692 A N 1.588 124.460 122.820 0.086 0.000 1.903 692 A HA -0.308 3.656 4.320 -0.593 0.000 0.219 692 A C 2.009 179.688 177.584 0.158 0.000 1.191 692 A CA 2.029 54.092 52.037 0.043 0.000 0.638 692 A CB -0.313 18.635 19.000 -0.087 0.000 0.823 692 A HN 0.279 nan 8.150 nan 0.000 0.451 693 E N 0.318 120.576 120.200 0.097 0.000 2.130 693 E HA -0.189 3.805 4.350 -0.593 0.000 0.196 693 E C 1.614 178.272 176.600 0.096 0.000 0.998 693 E CA 1.820 58.270 56.400 0.082 0.000 0.806 693 E CB -0.502 29.226 29.700 0.047 0.000 0.738 693 E HN 0.801 nan 8.360 nan 0.000 0.459 694 N N -1.308 117.444 118.700 0.088 0.000 2.550 694 N HA -0.054 4.330 4.740 -0.593 0.000 0.186 694 N C 0.610 176.092 175.510 -0.047 0.000 1.110 694 N CA 0.047 53.096 53.050 -0.002 0.000 0.912 694 N CB -0.045 38.392 38.487 -0.083 0.000 0.968 694 N HN 0.137 nan 8.380 nan 0.000 0.448 695 F N 1.443 121.353 119.950 -0.067 0.000 2.604 695 F HA 0.048 4.224 4.527 -0.586 0.000 0.298 695 F C 1.865 177.675 175.800 0.016 0.000 1.131 695 F CA 0.642 58.600 58.000 -0.069 0.000 1.457 695 F CB 0.072 38.984 39.000 -0.145 0.000 1.095 695 F HN -0.080 nan 8.300 nan 0.000 0.574 696 K N -0.022 120.483 120.400 0.176 0.000 2.280 696 K HA -0.182 3.782 4.320 -0.593 0.000 0.202 696 K C 1.500 178.164 176.600 0.107 0.000 1.047 696 K CA 1.113 57.485 56.287 0.141 0.000 0.942 696 K CB -0.254 32.308 32.500 0.103 0.000 0.739 696 K HN 0.421 nan 8.250 nan 0.000 0.457 697 Q N 0.527 120.368 119.800 0.068 0.000 2.403 697 Q HA 0.027 4.011 4.340 -0.593 0.000 0.203 697 Q C 0.350 176.388 176.000 0.063 0.000 0.932 697 Q CA 0.065 55.898 55.803 0.050 0.000 0.945 697 Q CB 0.596 29.344 28.738 0.017 0.000 1.045 697 Q HN 0.143 nan 8.270 nan 0.000 0.511 698 V N -3.381 116.584 119.914 0.086 0.000 3.102 698 V HA 0.472 4.237 4.120 -0.593 0.000 0.312 698 V C -1.019 175.212 176.094 0.228 0.000 1.135 698 V CA -1.255 61.119 62.300 0.124 0.000 1.022 698 V CB 2.292 34.141 31.823 0.044 0.000 1.056 698 V HN -0.064 nan 8.190 nan 0.000 0.436 699 E N 1.468 121.832 120.200 0.273 0.000 2.115 699 E HA 0.442 4.436 4.350 -0.593 0.000 0.282 699 E C -1.883 175.084 176.600 0.612 0.000 0.987 699 E CA -0.335 56.293 56.400 0.381 0.000 0.797 699 E CB 1.713 31.556 29.700 0.240 0.000 1.086 699 E HN 0.693 nan 8.360 nan 0.000 0.397 700 Y N 3.531 124.107 120.300 0.460 0.000 2.446 700 Y HA 0.473 4.669 4.550 -0.590 0.000 0.345 700 Y C -1.597 174.406 175.900 0.173 0.000 0.984 700 Y CA -1.193 57.125 58.100 0.364 0.000 1.058 700 Y CB 1.103 39.809 38.460 0.409 0.000 1.220 700 Y HN 0.418 nan 8.280 nan 0.000 0.455 701 L N 7.831 128.782 121.223 -0.455 0.000 2.376 701 L HA 0.503 4.488 4.340 -0.593 0.000 0.275 701 L C -1.834 174.574 176.870 -0.770 0.000 0.987 701 L CA -0.818 53.589 54.840 -0.723 0.000 0.828 701 L CB 1.388 42.707 42.059 -1.233 0.000 1.249 701 L HN 0.698 nan 8.230 nan 0.000 0.409 702 L N 6.368 127.223 121.223 -0.614 0.000 2.305 702 L HA 0.591 4.575 4.340 -0.593 0.000 0.284 702 L C -0.898 175.832 176.870 -0.233 0.000 1.013 702 L CA -0.495 54.053 54.840 -0.488 0.000 0.819 702 L CB 1.643 43.484 42.059 -0.364 0.000 1.227 702 L HN 0.594 nan 8.230 nan 0.000 0.417 703 I N 3.943 124.395 120.570 -0.197 0.000 2.545 703 I HA 0.498 4.313 4.170 -0.593 0.000 0.292 703 I C -0.894 175.211 176.117 -0.020 0.000 1.040 703 I CA -0.758 60.478 61.300 -0.106 0.000 1.068 703 I CB 2.048 39.942 38.000 -0.177 0.000 1.251 703 I HN 0.530 nan 8.210 nan 0.000 0.424 704 H N 2.693 121.809 119.070 0.075 0.000 3.085 704 H HA 0.392 4.606 4.556 -0.571 0.000 0.356 704 H C -0.837 174.718 175.328 0.378 0.000 1.178 704 H CA -0.508 55.642 56.048 0.171 0.000 1.214 704 H CB 2.540 32.361 29.762 0.098 0.000 1.881 704 H HN 0.770 nan 8.280 nan 0.000 0.538 705 G N 0.780 109.926 108.800 0.577 0.000 2.372 705 G HA2 0.247 3.852 3.960 -0.593 0.000 0.283 705 G HA3 0.247 3.852 3.960 -0.593 0.000 0.283 705 G C 1.090 176.238 174.900 0.414 0.000 1.177 705 G CA 0.171 45.548 45.100 0.462 0.000 0.842 705 G HN 0.637 nan 8.290 nan 0.000 0.503 706 T N -0.821 113.811 114.554 0.131 0.000 3.035 706 T HA 0.092 4.086 4.350 -0.593 0.000 0.268 706 T C 1.691 176.336 174.700 -0.092 0.000 1.109 706 T CA 1.234 63.215 62.100 -0.199 0.000 1.119 706 T CB 0.175 68.826 68.868 -0.361 0.000 0.900 706 T HN 0.665 nan 8.240 nan 0.000 0.503 707 A N 1.056 123.909 122.820 0.054 0.000 2.577 707 A HA 0.305 4.269 4.320 -0.593 0.000 0.280 707 A C 0.437 177.991 177.584 -0.050 0.000 1.331 707 A CA -0.500 51.557 52.037 0.032 0.000 0.935 707 A CB -0.302 18.986 19.000 0.480 0.000 1.082 707 A HN 0.388 nan 8.150 nan 0.000 0.525 708 D N 1.525 121.922 120.400 -0.005 0.000 2.346 708 D HA -0.009 4.275 4.640 -0.593 0.000 0.260 708 D C 0.325 176.607 176.300 -0.031 0.000 1.252 708 D CA 0.151 54.246 54.000 0.158 0.000 0.895 708 D CB 0.708 41.754 40.800 0.410 0.000 1.097 708 D HN 0.552 nan 8.370 nan 0.000 0.489 709 D N 2.390 122.830 120.400 0.067 0.000 2.348 709 D HA -0.126 4.159 4.640 -0.593 0.000 0.211 709 D C 0.902 177.170 176.300 -0.052 0.000 0.998 709 D CA -0.101 53.890 54.000 -0.016 0.000 0.873 709 D CB 0.420 41.181 40.800 -0.065 0.000 0.925 709 D HN 0.227 nan 8.370 nan 0.000 0.524 710 N N 0.839 119.591 118.700 0.087 0.000 2.426 710 N HA -0.044 4.340 4.740 -0.593 0.000 0.205 710 N C -0.072 175.354 175.510 -0.140 0.000 1.040 710 N CA 0.495 53.620 53.050 0.126 0.000 0.990 710 N CB 0.452 38.991 38.487 0.087 0.000 1.215 710 N HN -0.108 nan 8.380 nan 0.000 0.491 711 V N 3.067 122.923 119.914 -0.096 0.000 2.304 711 V HA 0.214 3.978 4.120 -0.593 0.000 0.269 711 V C -0.551 175.589 176.094 0.076 0.000 1.036 711 V CA -0.458 61.833 62.300 -0.015 0.000 0.840 711 V CB -0.276 31.576 31.823 0.048 0.000 1.036 711 V HN 0.293 nan 8.190 nan 0.000 0.466 712 H N 3.394 122.444 119.070 -0.034 0.000 2.897 712 H HA -0.011 4.187 4.556 -0.596 0.000 0.347 712 H C 0.789 175.964 175.328 -0.254 0.000 1.068 712 H CA -0.074 55.871 56.048 -0.171 0.000 1.426 712 H CB 0.735 30.307 29.762 -0.318 0.000 1.410 712 H HN 0.629 nan 8.280 nan 0.000 0.597 713 F N 2.111 121.850 119.950 -0.351 0.000 2.192 713 F HA -0.302 4.129 4.527 -0.161 0.000 0.301 713 F C 2.563 178.073 175.800 -0.484 0.000 1.079 713 F CA 1.778 59.368 58.000 -0.682 0.000 1.303 713 F CB -0.192 38.590 39.000 -0.362 0.000 1.024 713 F HN 0.667 nan 8.300 nan 0.000 0.494 714 Q N 0.175 119.819 119.800 -0.259 0.000 2.173 714 Q HA -0.305 3.680 4.340 -0.593 0.000 0.208 714 Q C 2.046 177.782 176.000 -0.440 0.000 0.989 714 Q CA 2.217 57.820 55.803 -0.334 0.000 0.872 714 Q CB -0.345 28.179 28.738 -0.356 0.000 0.909 714 Q HN 0.599 nan 8.270 nan 0.000 0.420 715 Q N -0.260 119.320 119.800 -0.367 0.000 2.050 715 Q HA -0.116 3.868 4.340 -0.593 0.000 0.202 715 Q C 2.262 178.144 176.000 -0.195 0.000 0.980 715 Q CA 1.756 57.459 55.803 -0.167 0.000 0.840 715 Q CB -0.105 28.629 28.738 -0.005 0.000 0.898 715 Q HN 0.332 nan 8.270 nan 0.000 0.424 716 S N 0.597 116.072 115.700 -0.376 0.000 2.428 716 S HA -0.005 4.110 4.470 -0.593 0.000 0.230 716 S C 1.977 176.328 174.600 -0.416 0.000 1.014 716 S CA 0.709 58.704 58.200 -0.341 0.000 0.957 716 S CB -0.039 62.952 63.200 -0.348 0.000 0.784 716 S HN 0.449 nan 8.310 nan 0.000 0.499 717 A N 1.247 123.720 122.820 -0.578 0.000 1.930 717 A HA -0.076 3.889 4.320 -0.593 0.000 0.217 717 A C 2.133 179.609 177.584 -0.180 0.000 1.175 717 A CA 0.952 52.769 52.037 -0.366 0.000 0.627 717 A CB -0.350 18.470 19.000 -0.300 0.000 0.815 717 A HN 0.332 nan 8.150 nan 0.000 0.443 718 Q N -0.984 118.719 119.800 -0.162 0.000 2.172 718 Q HA -0.082 3.902 4.340 -0.593 0.000 0.200 718 Q C 2.064 178.030 176.000 -0.057 0.000 0.964 718 Q CA 1.121 56.892 55.803 -0.054 0.000 0.855 718 Q CB -0.419 28.358 28.738 0.066 0.000 0.918 718 Q HN 0.595 nan 8.270 nan 0.000 0.444 719 L N 1.126 122.291 121.223 -0.097 0.000 2.027 719 L HA -0.136 3.848 4.340 -0.593 0.000 0.206 719 L C 2.338 179.076 176.870 -0.221 0.000 1.074 719 L CA 2.354 57.103 54.840 -0.152 0.000 0.745 719 L CB -1.015 40.953 42.059 -0.152 0.000 0.898 719 L HN 0.199 nan 8.230 nan 0.000 0.433 720 S N -0.824 114.774 115.700 -0.170 0.000 2.382 720 S HA -0.292 3.823 4.470 -0.593 0.000 0.228 720 S C 2.141 176.740 174.600 -0.002 0.000 1.027 720 S CA 1.418 59.562 58.200 -0.092 0.000 0.991 720 S CB -0.705 62.593 63.200 0.163 0.000 0.823 720 S HN 0.560 nan 8.310 nan 0.000 0.469 721 K N 1.726 122.117 120.400 -0.015 0.000 2.063 721 K HA -0.001 3.963 4.320 -0.593 0.000 0.208 721 K C 2.260 178.849 176.600 -0.018 0.000 1.048 721 K CA 1.221 57.511 56.287 0.006 0.000 0.928 721 K CB -0.667 31.829 32.500 -0.006 0.000 0.713 721 K HN 0.464 nan 8.250 nan 0.000 0.442 722 A N 0.869 123.647 122.820 -0.069 0.000 1.930 722 A HA -0.074 3.891 4.320 -0.593 0.000 0.217 722 A C 2.063 179.579 177.584 -0.112 0.000 1.175 722 A CA 1.118 53.106 52.037 -0.083 0.000 0.627 722 A CB -0.486 18.450 19.000 -0.106 0.000 0.815 722 A HN 0.310 nan 8.150 nan 0.000 0.443 723 L N -0.705 120.391 121.223 -0.212 0.000 2.056 723 L HA -0.136 3.849 4.340 -0.593 0.000 0.207 723 L C 2.517 179.403 176.870 0.026 0.000 1.078 723 L CA 0.921 55.609 54.840 -0.253 0.000 0.749 723 L CB -0.549 41.041 42.059 -0.783 0.000 0.901 723 L HN 0.233 nan 8.230 nan 0.000 0.433 724 V N -0.153 119.839 119.914 0.130 0.000 2.295 724 V HA -0.296 3.468 4.120 -0.593 0.000 0.246 724 V C 2.050 178.195 176.094 0.085 0.000 1.049 724 V CA 1.915 64.319 62.300 0.173 0.000 1.024 724 V CB -0.508 31.409 31.823 0.158 0.000 0.648 724 V HN 0.429 nan 8.190 nan 0.000 0.447 725 D N 0.425 120.852 120.400 0.044 0.000 2.218 725 D HA -0.095 4.189 4.640 -0.593 0.000 0.204 725 D C 1.910 178.226 176.300 0.027 0.000 0.976 725 D CA 1.530 55.547 54.000 0.028 0.000 0.853 725 D CB -0.156 40.651 40.800 0.012 0.000 0.939 725 D HN 0.489 nan 8.370 nan 0.000 0.481 726 A N -0.569 122.266 122.820 0.024 0.000 2.275 726 A HA 0.450 4.414 4.320 -0.593 0.000 0.212 726 A C 1.639 179.255 177.584 0.053 0.000 1.201 726 A CA 0.815 52.869 52.037 0.029 0.000 0.843 726 A CB -0.076 18.932 19.000 0.013 0.000 0.873 726 A HN 0.200 nan 8.150 nan 0.000 0.492 727 G N -0.946 107.897 108.800 0.072 0.000 2.160 727 G HA2 -0.177 3.428 3.960 -0.593 0.000 0.244 727 G HA3 -0.177 3.428 3.960 -0.593 0.000 0.244 727 G C 0.030 175.003 174.900 0.121 0.000 1.022 727 G CA 0.164 45.316 45.100 0.087 0.000 0.741 727 G HN 0.784 nan 8.290 nan 0.000 0.508 728 V N 0.675 120.683 119.914 0.158 0.000 2.432 728 V HA 0.471 4.235 4.120 -0.593 0.000 0.275 728 V C 0.453 176.776 176.094 0.382 0.000 1.043 728 V CA -0.404 62.029 62.300 0.222 0.000 0.925 728 V CB 1.662 33.579 31.823 0.158 0.000 0.985 728 V HN 0.404 nan 8.190 nan 0.000 0.466 729 D N 4.097 124.682 120.400 0.309 0.000 2.264 729 D HA 0.651 4.936 4.640 -0.593 0.000 0.249 729 D C -0.589 175.979 176.300 0.447 0.000 1.070 729 D CA 0.083 54.244 54.000 0.268 0.000 0.912 729 D CB 0.937 41.814 40.800 0.128 0.000 1.193 729 D HN 0.343 nan 8.370 nan 0.000 0.427 730 F N -0.682 119.349 119.950 0.134 0.000 2.877 730 F HA 0.443 4.608 4.527 -0.603 0.000 0.319 730 F C -1.327 174.532 175.800 0.097 0.000 1.174 730 F CA -1.093 57.013 58.000 0.176 0.000 0.903 730 F CB 0.696 39.840 39.000 0.239 0.000 1.357 730 F HN 0.201 nan 8.300 nan 0.000 0.472 731 Q N 0.388 120.250 119.800 0.104 0.000 2.301 731 Q HA 0.727 4.711 4.340 -0.593 0.000 0.267 731 Q C -1.236 174.724 176.000 -0.067 0.000 1.035 731 Q CA -1.017 54.747 55.803 -0.065 0.000 0.856 731 Q CB 2.545 31.291 28.738 0.013 0.000 1.337 731 Q HN 0.809 nan 8.270 nan 0.000 0.450 732 T N 1.232 115.720 114.554 -0.109 0.000 2.901 732 T HA 0.706 4.700 4.350 -0.593 0.000 0.293 732 T C -1.625 172.989 174.700 -0.144 0.000 1.084 732 T CA -0.569 61.488 62.100 -0.070 0.000 1.008 732 T CB 1.199 70.069 68.868 0.004 0.000 1.170 732 T HN 0.512 nan 8.240 nan 0.000 0.509 733 M N 3.274 122.777 119.600 -0.162 0.000 2.272 733 M HA 0.450 4.574 4.480 -0.593 0.000 0.240 733 M C -2.083 174.056 176.300 -0.269 0.000 0.991 733 M CA -0.610 54.456 55.300 -0.390 0.000 1.008 733 M CB 0.772 33.056 32.600 -0.527 0.000 2.221 733 M HN 0.698 nan 8.290 nan 0.000 0.469 734 W N 4.045 125.183 121.300 -0.270 0.000 2.359 734 W HA 0.750 5.209 4.660 -0.335 0.000 0.344 734 W C -1.863 174.394 176.519 -0.437 0.000 1.170 734 W CA -0.676 56.593 57.345 -0.127 0.000 1.296 734 W CB 0.247 29.672 29.460 -0.058 0.000 1.197 734 W HN 0.599 nan 8.180 nan 0.000 0.618 735 Y N 2.019 122.474 120.300 0.259 0.000 2.363 735 Y HA 0.286 4.482 4.550 -0.590 0.000 0.325 735 Y C 0.389 176.395 175.900 0.177 0.000 0.984 735 Y CA -1.229 56.934 58.100 0.105 0.000 1.248 735 Y CB 1.338 39.816 38.460 0.030 0.000 1.116 735 Y HN 0.433 nan 8.280 nan 0.000 0.470 736 T N 4.526 119.255 114.554 0.292 0.000 2.871 736 T HA -0.028 3.967 4.350 -0.593 0.000 0.296 736 T C 0.218 174.974 174.700 0.094 0.000 0.998 736 T CA 0.663 62.849 62.100 0.144 0.000 1.162 736 T CB -0.097 68.802 68.868 0.053 0.000 0.947 736 T HN 0.695 nan 8.240 nan 0.000 0.536 737 D N 0.860 121.284 120.400 0.040 0.000 3.077 737 D HA -0.128 4.156 4.640 -0.593 0.000 0.217 737 D C 0.321 176.739 176.300 0.196 0.000 1.162 737 D CA 1.186 55.157 54.000 -0.049 0.000 0.943 737 D CB -0.347 40.218 40.800 -0.391 0.000 1.122 737 D HN 0.575 nan 8.370 nan 0.000 0.413 738 E N 0.776 121.108 120.200 0.220 0.000 2.283 738 E HA 0.327 4.322 4.350 -0.593 0.000 0.271 738 E C 0.768 177.538 176.600 0.284 0.000 1.031 738 E CA -0.335 56.213 56.400 0.247 0.000 0.868 738 E CB 1.227 31.060 29.700 0.222 0.000 1.094 738 E HN 0.322 nan 8.360 nan 0.000 0.401 739 D N -0.480 120.095 120.400 0.292 0.000 2.541 739 D HA -0.007 4.278 4.640 -0.593 0.000 0.276 739 D C 1.102 177.610 176.300 0.347 0.000 1.190 739 D CA -0.179 54.016 54.000 0.326 0.000 1.095 739 D CB -0.204 40.810 40.800 0.357 0.000 1.173 739 D HN 0.411 nan 8.370 nan 0.000 0.604 740 H N -1.457 117.773 119.070 0.266 0.000 2.422 740 H HA 0.071 4.268 4.556 -0.598 0.000 0.298 740 H C 1.897 177.433 175.328 0.346 0.000 1.098 740 H CA 2.230 58.447 56.048 0.281 0.000 1.315 740 H CB -0.432 29.476 29.762 0.244 0.000 1.382 740 H HN 0.495 nan 8.280 nan 0.000 0.523 741 G N -0.344 108.567 108.800 0.184 0.000 2.777 741 G HA2 0.019 3.623 3.960 -0.593 0.000 0.211 741 G HA3 0.019 3.623 3.960 -0.593 0.000 0.211 741 G C 0.630 175.670 174.900 0.235 0.000 1.149 741 G CA 0.276 45.408 45.100 0.054 0.000 0.785 741 G HN 0.524 nan 8.290 nan 0.000 0.536 742 I N -0.025 120.710 120.570 0.275 0.000 6.313 742 I HA -0.330 3.484 4.170 -0.593 0.000 0.126 742 I C 1.579 177.800 176.117 0.172 0.000 1.598 742 I CA 0.159 61.580 61.300 0.201 0.000 2.457 742 I CB -1.198 36.903 38.000 0.168 0.000 3.027 742 I HN 0.266 nan 8.210 nan 0.000 0.280 743 A N 1.094 123.990 122.820 0.127 0.000 2.348 743 A HA 0.258 4.223 4.320 -0.593 0.000 0.224 743 A C 1.226 178.838 177.584 0.046 0.000 1.227 743 A CA 0.583 52.659 52.037 0.066 0.000 0.885 743 A CB 0.127 19.131 19.000 0.007 0.000 0.933 743 A HN 0.653 nan 8.150 nan 0.000 0.506 744 S N -0.165 115.579 115.700 0.073 0.000 2.566 744 S HA 0.013 4.128 4.470 -0.593 0.000 0.280 744 S C 0.841 175.478 174.600 0.061 0.000 1.343 744 S CA 0.359 58.597 58.200 0.063 0.000 1.036 744 S CB 0.383 63.631 63.200 0.080 0.000 0.866 744 S HN 0.408 nan 8.310 nan 0.000 0.526 745 N N 1.275 120.000 118.700 0.042 0.000 2.061 745 N HA -0.139 4.246 4.740 -0.593 0.000 0.193 745 N C 1.673 177.231 175.510 0.080 0.000 1.030 745 N CA 2.167 55.246 53.050 0.048 0.000 0.856 745 N CB -0.309 38.191 38.487 0.022 0.000 1.023 745 N HN 0.608 nan 8.380 nan 0.000 0.424 746 M N -0.168 119.471 119.600 0.066 0.000 2.200 746 M HA 0.110 4.235 4.480 -0.593 0.000 0.265 746 M C 2.131 178.481 176.300 0.084 0.000 1.066 746 M CA 0.914 56.258 55.300 0.073 0.000 1.127 746 M CB -1.444 31.193 32.600 0.062 0.000 1.379 746 M HN 0.236 nan 8.290 nan 0.000 0.420 747 A N -0.890 121.959 122.820 0.048 0.000 1.898 747 A HA -0.212 3.753 4.320 -0.593 0.000 0.216 747 A C 2.075 179.613 177.584 -0.076 0.000 1.181 747 A CA 2.104 54.099 52.037 -0.070 0.000 0.620 747 A CB -1.081 17.852 19.000 -0.112 0.000 0.819 747 A HN 0.562 nan 8.150 nan 0.000 0.442 748 H N -0.010 119.036 119.070 -0.040 0.000 2.319 748 H HA -0.161 4.038 4.556 -0.595 0.000 0.299 748 H C 2.109 177.495 175.328 0.096 0.000 1.092 748 H CA 2.412 58.492 56.048 0.053 0.000 1.302 748 H CB -0.209 29.583 29.762 0.049 0.000 1.373 748 H HN 0.596 nan 8.280 nan 0.000 0.497 749 Q N -1.094 118.710 119.800 0.007 0.000 2.079 749 Q HA -0.173 3.812 4.340 -0.593 0.000 0.200 749 Q C 2.212 178.175 176.000 -0.062 0.000 0.974 749 Q CA 1.249 57.008 55.803 -0.074 0.000 0.840 749 Q CB -0.176 28.554 28.738 -0.013 0.000 0.898 749 Q HN 0.631 nan 8.270 nan 0.000 0.430 750 H N 0.918 119.943 119.070 -0.074 0.000 2.299 750 H HA -0.084 4.120 4.556 -0.587 0.000 0.302 750 H C 2.108 177.391 175.328 -0.074 0.000 1.078 750 H CA 1.460 57.489 56.048 -0.032 0.000 1.323 750 H CB -0.110 29.690 29.762 0.062 0.000 1.381 750 H HN 0.265 nan 8.280 nan 0.000 0.498 751 I N 0.260 120.752 120.570 -0.131 0.000 2.163 751 I HA -0.360 3.454 4.170 -0.593 0.000 0.243 751 I C 1.894 177.755 176.117 -0.428 0.000 1.085 751 I CA 1.499 62.636 61.300 -0.272 0.000 1.347 751 I CB -0.303 37.356 38.000 -0.568 0.000 1.044 751 I HN 0.164 nan 8.210 nan 0.000 0.408 752 Y N 0.909 120.967 120.300 -0.404 0.000 2.293 752 Y HA -0.211 3.987 4.550 -0.588 0.000 0.291 752 Y C 2.729 178.394 175.900 -0.392 0.000 1.137 752 Y CA 1.893 59.635 58.100 -0.597 0.000 1.202 752 Y CB -0.890 37.226 38.460 -0.573 0.000 0.990 752 Y HN 0.173 nan 8.280 nan 0.000 0.537 753 T N -1.777 112.659 114.554 -0.197 0.000 2.777 753 T HA -0.214 3.780 4.350 -0.593 0.000 0.266 753 T C 1.546 175.974 174.700 -0.454 0.000 1.040 753 T CA 1.806 63.712 62.100 -0.324 0.000 1.141 753 T CB -0.398 68.272 68.868 -0.330 0.000 0.868 753 T HN 0.433 nan 8.240 nan 0.000 0.444 754 H N 0.721 119.571 119.070 -0.367 0.000 2.357 754 H HA 0.158 4.362 4.556 -0.586 0.000 0.301 754 H C 2.140 177.402 175.328 -0.111 0.000 1.082 754 H CA 1.371 57.296 56.048 -0.205 0.000 1.342 754 H CB -0.161 29.540 29.762 -0.102 0.000 1.389 754 H HN 0.244 nan 8.280 nan 0.000 0.511 755 M N -0.867 118.659 119.600 -0.123 0.000 2.229 755 M HA -0.130 3.995 4.480 -0.593 0.000 0.264 755 M C 2.332 178.744 176.300 0.187 0.000 1.063 755 M CA 1.198 56.440 55.300 -0.096 0.000 1.114 755 M CB 0.106 32.405 32.600 -0.501 0.000 1.387 755 M HN 0.194 nan 8.290 nan 0.000 0.420 756 S N -0.419 115.416 115.700 0.226 0.000 2.356 756 S HA -0.159 3.956 4.470 -0.593 0.000 0.223 756 S C 1.583 176.329 174.600 0.243 0.000 1.032 756 S CA 1.226 59.661 58.200 0.393 0.000 1.005 756 S CB -0.617 62.825 63.200 0.403 0.000 0.867 756 S HN 0.570 nan 8.310 nan 0.000 0.449 757 H N -0.685 118.445 119.070 0.102 0.000 2.319 757 H HA -0.101 4.098 4.556 -0.594 0.000 0.299 757 H C 2.034 177.363 175.328 0.002 0.000 1.092 757 H CA 1.590 57.648 56.048 0.017 0.000 1.302 757 H CB -0.228 29.491 29.762 -0.072 0.000 1.373 757 H HN 0.373 nan 8.280 nan 0.000 0.497 758 F N 1.255 121.193 119.950 -0.021 0.000 2.095 758 F HA -0.221 3.954 4.527 -0.586 0.000 0.298 758 F C 2.310 178.064 175.800 -0.077 0.000 1.104 758 F CA 1.161 59.118 58.000 -0.071 0.000 1.232 758 F CB -0.446 38.494 39.000 -0.099 0.000 0.987 758 F HN 0.041 nan 8.300 nan 0.000 0.475 759 L N 0.255 121.511 121.223 0.055 0.000 2.012 759 L HA -0.277 3.707 4.340 -0.593 0.000 0.210 759 L C 2.477 179.135 176.870 -0.353 0.000 1.073 759 L CA 1.900 56.583 54.840 -0.261 0.000 0.748 759 L CB -0.567 41.407 42.059 -0.141 0.000 0.891 759 L HN 0.171 nan 8.230 nan 0.000 0.431 760 K N -0.475 119.875 120.400 -0.084 0.000 2.103 760 K HA -0.252 3.713 4.320 -0.593 0.000 0.207 760 K C 2.035 178.614 176.600 -0.034 0.000 1.048 760 K CA 1.829 58.120 56.287 0.005 0.000 0.930 760 K CB -0.181 32.380 32.500 0.102 0.000 0.716 760 K HN 0.543 nan 8.250 nan 0.000 0.444 761 Q N 0.692 120.429 119.800 -0.105 0.000 2.079 761 Q HA -0.185 3.799 4.340 -0.593 0.000 0.200 761 Q C 2.390 178.291 176.000 -0.166 0.000 0.974 761 Q CA 1.654 57.383 55.803 -0.123 0.000 0.840 761 Q CB -0.781 27.869 28.738 -0.147 0.000 0.898 761 Q HN 0.371 nan 8.270 nan 0.000 0.430 762 c N 0.288 118.684 118.600 -0.339 0.000 2.411 762 c HA -0.064 4.151 4.570 -0.593 0.000 0.279 762 c C 1.751 175.874 174.090 0.055 0.000 1.288 762 c CA 0.257 56.419 56.329 -0.278 0.000 1.764 762 c CB -1.190 41.015 42.510 -0.508 0.000 1.974 762 c HN 0.611 nan 8.230 nan 0.000 0.498 763 F N 1.678 121.596 119.950 -0.054 0.000 2.660 763 F HA 0.271 4.444 4.527 -0.590 0.000 0.302 763 F C 1.558 177.347 175.800 -0.019 0.000 1.103 763 F CA 0.144 58.133 58.000 -0.019 0.000 1.340 763 F CB -1.329 37.672 39.000 0.001 0.000 1.048 763 F HN 0.180 nan 8.300 nan 0.000 0.551 764 S N 1.165 116.946 115.700 0.136 0.000 3.631 764 S HA -0.195 3.920 4.470 -0.593 0.000 0.366 764 S C -0.091 174.553 174.600 0.074 0.000 0.993 764 S CA 0.178 58.420 58.200 0.071 0.000 1.167 764 S CB -1.923 61.307 63.200 0.051 0.000 0.909 764 S HN 0.244 nan 8.310 nan 0.000 0.478 765 L N 1.798 123.075 121.223 0.091 0.000 2.296 765 L HA 0.515 4.500 4.340 -0.593 0.000 0.286 765 L C -1.193 175.715 176.870 0.063 0.000 1.023 765 L CA -1.849 53.043 54.840 0.085 0.000 0.812 765 L CB 0.886 43.020 42.059 0.125 0.000 1.223 765 L HN 0.090 nan 8.230 nan 0.000 0.421 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.125 63.100 0.041 0.000 0.800 766 P CB 0.000 31.718 31.700 0.030 0.000 0.726