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 3g0g_1_B DATA FIRST_RESID 35 DATA SEQUENCE HHHHSRKTYT LTDYLKNTYR LKLYSLRWIS DHEYLYKQXX NILVFNAEYG DATA SEQUENCE NSSVFLENST FDEFGHSIND YSISPDGQFI LLEYNYVKQW RHSYTASYDI DATA SEQUENCE YDLNKRQLIT EERIPNNTQW VTWSPVGHKL AYVWNNDIYV KIEPNLPSYR DATA SEQUENCE ITWTGKEDII YNGITDWVYE EEVFSAYSAL WWSPNGTFLA YAQFNDTEVP DATA SEQUENCE LIEYSFYSDE SLQYPKTVRV PYPKAGAVNP TVKFFVVNTD SLSSVTNATS DATA SEQUENCE IQITAPASML IGDHYLCDVT WATQERISLQ WLRRIQNYSV MDIcDYDESS DATA SEQUENCE GRWNcLVARQ HIEMSTTGWV GRFRPSEPHF TLDGNSFYKI ISNEEGYRHI DATA SEQUENCE cYFQIDKKDc TFITKGTWEV IGIEALTSDY LYYISNEYKG MPGGRNLYKI DATA SEQUENCE QLSDYTKVTC LSCELNPERc QYYSVSFSKE AKYYQLRcSG PGLPLYTLHS DATA SEQUENCE SVNDKGLRVL EDNSALDKML QNVQMPSKKL DFIILNETKF WYQMILPPHF DATA SEQUENCE DKSKKYPLLL DVYAGPCSQK ADTVFRLNWA TYLASTENII VASFDGRGSG DATA SEQUENCE YQGDKIMHAI NRRLGTFEVE DQIEAARQFS KMGFVDNKRI AIWGWSYGGY DATA SEQUENCE VTSMVLGSGS GVFKcGIAVA PVSRWEYYDS VYTERYMGLP TPEDNLDHYR DATA SEQUENCE NSTVMSRAEN FKQVEYLLIH GTADDNVHFQ QSAQISKALV DVGVDFQAMW DATA SEQUENCE YTDEDHGIAS STAHQHIYTH MSHFIKQcFS LP 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 35 H HA 0.000 nan 4.556 nan 0.000 0.296 35 H C 0.000 175.182 175.328 -0.243 0.000 0.993 35 H CA 0.000 55.932 56.048 -0.194 0.000 1.023 35 H CB 0.000 29.676 29.762 -0.144 0.000 1.292 36 H N 3.022 121.721 119.070 -0.619 0.000 2.822 36 H HA -0.189 4.326 4.556 -0.068 0.000 0.295 36 H C -0.007 175.063 175.328 -0.430 0.000 1.151 36 H CA 1.533 57.250 56.048 -0.552 0.000 1.151 36 H CB -2.021 27.465 29.762 -0.459 0.000 1.343 36 H HN 0.756 nan 8.280 nan 0.000 0.382 37 H N -2.895 116.220 119.070 0.075 0.000 3.211 37 H HA -0.156 4.359 4.556 -0.069 0.000 0.240 37 H C 0.727 176.117 175.328 0.102 0.000 1.148 37 H CA 1.249 57.392 56.048 0.159 0.000 1.160 37 H CB -1.462 28.345 29.762 0.075 0.000 1.232 37 H HN 0.613 nan 8.280 nan 0.000 0.321 38 H N 0.776 120.011 119.070 0.276 0.000 2.929 38 H HA 0.137 4.652 4.556 -0.069 0.000 0.358 38 H C 0.724 176.153 175.328 0.169 0.000 1.111 38 H CA 0.429 56.593 56.048 0.194 0.000 1.409 38 H CB 0.660 30.515 29.762 0.156 0.000 1.373 38 H HN 0.081 nan 8.280 nan 0.000 0.610 39 S N 2.120 117.993 115.700 0.288 0.000 2.481 39 S HA 0.059 4.488 4.470 -0.068 0.000 0.282 39 S C 1.452 176.167 174.600 0.193 0.000 1.243 39 S CA -0.149 58.174 58.200 0.206 0.000 1.078 39 S CB 0.481 63.789 63.200 0.181 0.000 0.916 39 S HN 0.500 nan 8.310 nan 0.000 0.495 40 R N 1.378 121.966 120.500 0.147 0.000 2.435 40 R HA 0.080 4.379 4.340 -0.068 0.000 0.221 40 R C 0.194 176.558 176.300 0.106 0.000 0.885 40 R CA 0.088 56.260 56.100 0.121 0.000 1.018 40 R CB 0.367 30.723 30.300 0.093 0.000 1.259 40 R HN 0.590 nan 8.270 nan 0.000 0.597 41 K N 1.623 122.087 120.400 0.107 0.000 2.154 41 K HA 0.236 4.516 4.320 -0.068 0.000 0.264 41 K C -0.133 176.543 176.600 0.126 0.000 1.008 41 K CA -0.252 56.104 56.287 0.115 0.000 0.937 41 K CB 1.291 33.866 32.500 0.124 0.000 1.002 41 K HN -0.188 nan 8.250 nan 0.000 0.469 42 T N -1.873 112.763 114.554 0.137 0.000 2.910 42 T HA 0.197 4.506 4.350 -0.068 0.000 0.287 42 T C -0.991 173.825 174.700 0.195 0.000 1.050 42 T CA -0.849 61.340 62.100 0.149 0.000 1.011 42 T CB 0.712 69.666 68.868 0.142 0.000 1.195 42 T HN 0.561 nan 8.240 nan 0.000 0.540 43 Y N 2.876 123.218 120.300 0.069 0.000 2.600 43 Y HA 0.381 4.884 4.550 -0.078 0.000 0.351 43 Y C 1.027 177.063 175.900 0.228 0.000 1.042 43 Y CA -0.409 57.751 58.100 0.100 0.000 1.333 43 Y CB -0.399 38.070 38.460 0.016 0.000 1.172 43 Y HN 0.998 nan 8.280 nan 0.000 0.517 44 T N 1.913 116.464 114.554 -0.005 0.000 2.788 44 T HA 0.067 4.376 4.350 -0.068 0.000 0.287 44 T C 1.087 175.661 174.700 -0.210 0.000 1.007 44 T CA -0.643 61.484 62.100 0.045 0.000 1.005 44 T CB 1.115 69.991 68.868 0.014 0.000 1.012 44 T HN 0.688 nan 8.240 nan 0.000 0.530 45 L N 1.267 122.216 121.223 -0.457 0.000 2.083 45 L HA 0.005 4.305 4.340 -0.068 0.000 0.209 45 L C 2.653 179.379 176.870 -0.241 0.000 1.083 45 L CA 2.174 56.635 54.840 -0.632 0.000 0.752 45 L CB -1.421 40.103 42.059 -0.891 0.000 0.899 45 L HN 0.984 nan 8.230 nan 0.000 0.433 46 T N -0.790 113.658 114.554 -0.176 0.000 2.720 46 T HA -0.176 4.134 4.350 -0.068 0.000 0.268 46 T C 1.505 176.133 174.700 -0.120 0.000 1.037 46 T CA 1.460 63.494 62.100 -0.111 0.000 1.144 46 T CB -0.469 68.359 68.868 -0.067 0.000 0.864 46 T HN 0.387 nan 8.240 nan 0.000 0.444 47 D N 0.252 120.555 120.400 -0.161 0.000 2.104 47 D HA -0.106 4.493 4.640 -0.068 0.000 0.194 47 D C 1.780 177.984 176.300 -0.161 0.000 0.994 47 D CA 1.153 55.052 54.000 -0.169 0.000 0.830 47 D CB -0.482 40.159 40.800 -0.265 0.000 0.959 47 D HN 0.447 nan 8.370 nan 0.000 0.452 48 Y N 1.439 121.512 120.300 -0.380 0.000 2.114 48 Y HA -0.122 4.444 4.550 0.027 0.000 0.284 48 Y C 2.189 178.087 175.900 -0.004 0.000 1.143 48 Y CA 1.344 59.390 58.100 -0.089 0.000 1.135 48 Y CB -0.534 37.926 38.460 -0.001 0.000 0.980 48 Y HN -0.098 nan 8.280 nan 0.000 0.499 49 L N -0.326 120.716 121.223 -0.302 0.000 2.217 49 L HA -0.085 4.215 4.340 -0.068 0.000 0.211 49 L C 1.685 178.452 176.870 -0.172 0.000 1.107 49 L CA 1.074 55.730 54.840 -0.306 0.000 0.783 49 L CB -0.324 41.649 42.059 -0.144 0.000 0.919 49 L HN -0.014 nan 8.230 nan 0.000 0.442 50 K N 0.177 120.502 120.400 -0.125 0.000 2.358 50 K HA 0.133 4.412 4.320 -0.068 0.000 0.197 50 K C -0.184 176.375 176.600 -0.069 0.000 1.025 50 K CA -0.158 56.080 56.287 -0.082 0.000 1.104 50 K CB -0.194 32.266 32.500 -0.068 0.000 0.855 50 K HN 0.139 nan 8.250 nan 0.000 0.531 51 N N -0.225 118.439 118.700 -0.060 0.000 2.727 51 N HA -0.199 4.500 4.740 -0.068 0.000 0.251 51 N C 0.042 175.551 175.510 -0.003 0.000 1.040 51 N CA 0.721 53.773 53.050 0.002 0.000 0.712 51 N CB -1.249 37.230 38.487 -0.014 0.000 0.912 51 N HN 0.109 nan 8.380 nan 0.000 0.545 52 T N -1.176 113.361 114.554 -0.027 0.000 2.777 52 T HA -0.163 4.146 4.350 -0.068 0.000 0.266 52 T C 0.384 174.899 174.700 -0.309 0.000 1.040 52 T CA 1.315 63.285 62.100 -0.217 0.000 1.141 52 T CB -0.101 68.570 68.868 -0.328 0.000 0.868 52 T HN 0.386 nan 8.240 nan 0.000 0.444 53 Y N 1.489 121.885 120.300 0.159 0.000 2.587 53 Y HA 0.545 5.050 4.550 -0.074 0.000 0.328 53 Y C 0.329 176.336 175.900 0.178 0.000 0.980 53 Y CA -1.120 57.095 58.100 0.192 0.000 1.272 53 Y CB 0.510 39.143 38.460 0.288 0.000 1.094 53 Y HN -0.139 nan 8.280 nan 0.000 0.503 54 R N 2.680 123.308 120.500 0.214 0.000 2.349 54 R HA 0.525 4.824 4.340 -0.068 0.000 0.299 54 R C -1.025 175.378 176.300 0.172 0.000 1.027 54 R CA -0.422 55.775 56.100 0.162 0.000 0.958 54 R CB 0.672 31.025 30.300 0.088 0.000 1.047 54 R HN 0.665 nan 8.270 nan 0.000 0.468 55 L N 4.252 125.577 121.223 0.171 0.000 2.290 55 L HA 0.318 4.617 4.340 -0.068 0.000 0.284 55 L C 0.270 177.215 176.870 0.126 0.000 1.078 55 L CA -0.245 54.698 54.840 0.171 0.000 0.815 55 L CB 1.163 43.345 42.059 0.204 0.000 1.162 55 L HN 0.475 nan 8.230 nan 0.000 0.435 56 K N 3.002 123.468 120.400 0.111 0.000 2.218 56 K HA 0.531 4.810 4.320 -0.068 0.000 0.276 56 K C -0.928 175.689 176.600 0.030 0.000 1.022 56 K CA -0.558 55.766 56.287 0.062 0.000 0.946 56 K CB 1.069 33.600 32.500 0.051 0.000 1.000 56 K HN 0.262 nan 8.250 nan 0.000 0.468 57 L N 2.369 123.545 121.223 -0.078 0.000 2.319 57 L HA 0.350 4.649 4.340 -0.068 0.000 0.267 57 L C -0.954 175.618 176.870 -0.497 0.000 1.011 57 L CA -0.563 54.095 54.840 -0.303 0.000 0.818 57 L CB 0.944 42.965 42.059 -0.063 0.000 1.316 57 L HN 0.475 nan 8.230 nan 0.000 0.432 58 Y N 1.037 120.626 120.300 -1.184 0.000 2.919 58 Y HA 0.420 4.929 4.550 -0.068 0.000 0.341 58 Y C 0.121 175.869 175.900 -0.253 0.000 1.045 58 Y CA -0.437 57.296 58.100 -0.612 0.000 1.218 58 Y CB 1.210 39.234 38.460 -0.727 0.000 1.137 58 Y HN 0.551 nan 8.280 nan 0.000 0.577 59 S N 6.709 122.334 115.700 -0.126 0.000 2.416 59 S HA 0.594 5.024 4.470 -0.068 0.000 0.287 59 S C -0.789 173.785 174.600 -0.044 0.000 1.139 59 S CA -0.585 57.592 58.200 -0.038 0.000 1.058 59 S CB -0.528 62.655 63.200 -0.029 0.000 0.967 59 S HN 0.615 nan 8.310 nan 0.000 0.495 60 L N 2.816 123.992 121.223 -0.078 0.000 2.279 60 L HA 0.842 5.141 4.340 -0.068 0.000 0.262 60 L C -0.506 176.286 176.870 -0.130 0.000 1.019 60 L CA -0.978 53.774 54.840 -0.147 0.000 0.823 60 L CB 1.390 43.125 42.059 -0.541 0.000 1.358 60 L HN 0.576 nan 8.230 nan 0.000 0.432 61 R N 0.224 120.657 120.500 -0.111 0.000 2.512 61 R HA 0.348 4.647 4.340 -0.068 0.000 0.291 61 R C -1.830 174.481 176.300 0.018 0.000 1.097 61 R CA -0.402 55.694 56.100 -0.007 0.000 0.940 61 R CB 0.871 31.210 30.300 0.064 0.000 1.198 61 R HN 0.696 nan 8.270 nan 0.000 0.429 62 W N 3.436 124.829 121.300 0.155 0.000 2.137 62 W HA 0.170 4.790 4.660 -0.066 0.000 0.344 62 W C 1.730 178.311 176.519 0.103 0.000 1.286 62 W CA -0.227 57.216 57.345 0.163 0.000 1.240 62 W CB 0.399 29.951 29.460 0.155 0.000 1.141 62 W HN 0.653 nan 8.180 nan 0.000 0.579 63 I N -2.014 118.747 120.570 0.319 0.000 4.578 63 I HA 0.222 4.351 4.170 -0.068 0.000 0.312 63 I C 0.823 176.998 176.117 0.096 0.000 1.224 63 I CA -0.056 61.328 61.300 0.139 0.000 1.318 63 I CB 0.053 38.061 38.000 0.013 0.000 1.388 63 I HN 0.292 nan 8.210 nan 0.000 0.461 64 S N 0.253 116.001 115.700 0.079 0.000 2.855 64 S HA 0.361 4.791 4.470 -0.068 0.000 0.308 64 S C 0.347 174.965 174.600 0.031 0.000 1.077 64 S CA 0.034 58.213 58.200 -0.034 0.000 0.896 64 S CB 1.528 64.556 63.200 -0.287 0.000 1.339 64 S HN 0.164 nan 8.310 nan 0.000 0.602 65 D N -0.375 120.008 120.400 -0.027 0.000 2.347 65 D HA 0.049 4.649 4.640 -0.068 0.000 0.213 65 D C 1.069 177.564 176.300 0.326 0.000 0.985 65 D CA 0.890 54.981 54.000 0.153 0.000 0.879 65 D CB -0.027 40.929 40.800 0.259 0.000 0.919 65 D HN 0.705 nan 8.370 nan 0.000 0.526 66 H N -2.213 117.040 119.070 0.304 0.000 3.367 66 H HA 0.434 4.949 4.556 -0.067 0.000 0.257 66 H C -0.360 175.091 175.328 0.204 0.000 1.201 66 H CA -0.325 55.889 56.048 0.277 0.000 1.102 66 H CB 0.235 30.158 29.762 0.270 0.000 1.656 66 H HN 0.021 nan 8.280 nan 0.000 0.662 67 E N 0.998 121.312 120.200 0.190 0.000 2.367 67 E HA 0.470 4.779 4.350 -0.068 0.000 0.273 67 E C -1.563 175.190 176.600 0.255 0.000 0.903 67 E CA -1.157 55.315 56.400 0.120 0.000 0.764 67 E CB 2.983 32.666 29.700 -0.030 0.000 1.252 67 E HN 0.267 nan 8.360 nan 0.000 0.446 68 Y N -0.863 119.432 120.300 -0.009 0.000 2.625 68 Y HA 0.651 5.160 4.550 -0.068 0.000 0.338 68 Y C -1.918 173.964 175.900 -0.030 0.000 1.123 68 Y CA -1.391 56.616 58.100 -0.156 0.000 1.046 68 Y CB 0.807 38.840 38.460 -0.711 0.000 1.299 68 Y HN 0.356 nan 8.280 nan 0.000 0.464 69 L N 2.999 124.344 121.223 0.204 0.000 2.325 69 L HA 0.575 4.874 4.340 -0.068 0.000 0.278 69 L C -1.190 175.911 176.870 0.386 0.000 1.023 69 L CA -0.917 54.045 54.840 0.203 0.000 0.811 69 L CB 1.581 43.694 42.059 0.090 0.000 1.249 69 L HN 0.773 nan 8.230 nan 0.000 0.431 70 Y N 2.283 122.745 120.300 0.270 0.000 2.534 70 Y HA 0.473 4.981 4.550 -0.070 0.000 0.345 70 Y C -0.947 175.033 175.900 0.134 0.000 1.031 70 Y CA -1.134 57.051 58.100 0.143 0.000 1.022 70 Y CB 1.918 40.397 38.460 0.031 0.000 1.292 70 Y HN 0.480 nan 8.280 nan 0.000 0.459 71 K N 3.903 123.806 120.400 -0.828 0.000 2.164 71 K HA 0.580 4.860 4.320 -0.068 0.000 0.258 71 K C -1.210 175.025 176.600 -0.607 0.000 0.951 71 K CA -0.388 55.585 56.287 -0.523 0.000 0.844 71 K CB 1.380 33.694 32.500 -0.309 0.000 1.099 71 K HN 0.882 nan 8.250 nan 0.000 0.435 76 I N 1.641 122.180 120.570 -0.051 0.000 2.468 76 I HA 0.407 4.537 4.170 -0.068 0.000 0.284 76 I C -1.326 174.832 176.117 0.067 0.000 1.038 76 I CA -0.502 60.794 61.300 -0.005 0.000 1.083 76 I CB 1.226 39.198 38.000 -0.046 0.000 1.223 76 I HN 0.217 nan 8.210 nan 0.000 0.443 77 L N 6.901 128.161 121.223 0.062 0.000 2.325 77 L HA 0.506 4.806 4.340 -0.068 0.000 0.278 77 L C -0.142 176.667 176.870 -0.101 0.000 1.023 77 L CA -0.677 54.114 54.840 -0.082 0.000 0.811 77 L CB 1.875 43.724 42.059 -0.350 0.000 1.249 77 L HN 0.198 nan 8.230 nan 0.000 0.431 78 V N 3.578 123.385 119.914 -0.178 0.000 2.432 78 V HA 0.293 4.372 4.120 -0.068 0.000 0.271 78 V C -0.240 175.631 176.094 -0.371 0.000 1.046 78 V CA -0.219 61.950 62.300 -0.219 0.000 0.945 78 V CB 0.454 32.169 31.823 -0.180 0.000 0.992 78 V HN 0.372 nan 8.190 nan 0.000 0.471 79 F N 3.222 122.916 119.950 -0.426 0.000 2.422 79 F HA 0.408 4.894 4.527 -0.068 0.000 0.333 79 F C 0.533 176.043 175.800 -0.484 0.000 1.095 79 F CA -0.540 57.132 58.000 -0.547 0.000 1.038 79 F CB 1.274 39.668 39.000 -1.010 0.000 1.156 79 F HN 0.431 nan 8.300 nan 0.000 0.483 80 N N 1.549 120.195 118.700 -0.090 0.000 2.414 80 N HA 0.397 5.097 4.740 -0.068 0.000 0.256 80 N C 0.489 175.975 175.510 -0.041 0.000 1.029 80 N CA 0.004 53.043 53.050 -0.019 0.000 0.948 80 N CB 1.478 40.014 38.487 0.081 0.000 1.102 80 N HN 0.690 nan 8.380 nan 0.000 0.496 81 A N 3.487 126.243 122.820 -0.106 0.000 2.015 81 A HA -0.111 4.169 4.320 -0.068 0.000 0.219 81 A C 1.651 179.053 177.584 -0.303 0.000 1.163 81 A CA 1.174 53.075 52.037 -0.225 0.000 0.646 81 A CB -0.351 18.364 19.000 -0.476 0.000 0.806 81 A HN 0.850 nan 8.150 nan 0.000 0.448 82 E N -1.382 118.687 120.200 -0.218 0.000 2.015 82 E HA -0.175 4.134 4.350 -0.068 0.000 0.191 82 E C 1.523 177.938 176.600 -0.309 0.000 0.991 82 E CA 1.592 57.869 56.400 -0.204 0.000 0.802 82 E CB -0.280 29.296 29.700 -0.207 0.000 0.759 82 E HN 0.813 nan 8.360 nan 0.000 0.447 83 Y N -1.249 119.060 120.300 0.016 0.000 2.524 83 Y HA 0.236 4.745 4.550 -0.068 0.000 0.270 83 Y C 1.814 177.720 175.900 0.010 0.000 1.094 83 Y CA 0.503 58.612 58.100 0.015 0.000 1.276 83 Y CB 1.179 39.647 38.460 0.013 0.000 1.130 83 Y HN 0.242 nan 8.280 nan 0.000 0.536 84 G N 0.340 109.224 108.800 0.141 0.000 2.254 84 G HA2 -0.302 3.617 3.960 -0.068 0.000 0.225 84 G HA3 -0.302 3.617 3.960 -0.068 0.000 0.225 84 G C 0.084 175.068 174.900 0.139 0.000 1.003 84 G CA -0.020 45.153 45.100 0.122 0.000 0.622 84 G HN 0.412 nan 8.290 nan 0.000 0.507 85 N N 1.238 120.002 118.700 0.106 0.000 2.458 85 N HA 0.386 5.085 4.740 -0.068 0.000 0.258 85 N C -0.071 175.399 175.510 -0.067 0.000 1.219 85 N CA 1.081 54.145 53.050 0.023 0.000 0.902 85 N CB 1.170 39.658 38.487 0.001 0.000 1.076 85 N HN 1.059 nan 8.380 nan 0.000 0.455 86 S N 0.056 115.646 115.700 -0.182 0.000 2.536 86 S HA 0.618 5.047 4.470 -0.068 0.000 0.287 86 S C -0.657 173.772 174.600 -0.285 0.000 1.101 86 S CA -0.960 56.990 58.200 -0.417 0.000 0.950 86 S CB 1.282 63.846 63.200 -1.060 0.000 1.056 86 S HN 0.773 nan 8.310 nan 0.000 0.481 87 S N 1.114 116.666 115.700 -0.246 0.000 2.500 87 S HA 0.615 5.044 4.470 -0.068 0.000 0.301 87 S C -0.336 174.187 174.600 -0.129 0.000 1.092 87 S CA -0.868 57.244 58.200 -0.147 0.000 1.030 87 S CB 1.074 64.224 63.200 -0.083 0.000 1.031 87 S HN 0.811 nan 8.310 nan 0.000 0.483 88 V N 4.561 124.414 119.914 -0.101 0.000 2.452 88 V HA 0.005 4.084 4.120 -0.068 0.000 0.286 88 V C 0.932 177.020 176.094 -0.010 0.000 0.995 88 V CA 0.348 62.608 62.300 -0.068 0.000 1.116 88 V CB -1.079 30.698 31.823 -0.076 0.000 0.954 88 V HN 0.970 nan 8.190 nan 0.000 0.473 89 F N 5.495 125.370 119.950 -0.125 0.000 2.094 89 F HA 0.197 4.683 4.527 -0.069 0.000 0.291 89 F C 0.777 176.522 175.800 -0.092 0.000 1.109 89 F CA 1.040 58.982 58.000 -0.097 0.000 1.221 89 F CB 0.461 39.412 39.000 -0.081 0.000 1.014 89 F HN 0.314 nan 8.300 nan 0.000 0.473 90 L N 1.462 122.624 121.223 -0.103 0.000 2.404 90 L HA 0.292 4.592 4.340 -0.068 0.000 0.272 90 L C -0.940 175.843 176.870 -0.144 0.000 0.980 90 L CA -0.563 54.150 54.840 -0.212 0.000 0.836 90 L CB 1.560 43.516 42.059 -0.173 0.000 1.238 90 L HN -0.038 nan 8.230 nan 0.000 0.408 91 E N 2.027 122.122 120.200 -0.175 0.000 2.414 91 E HA 0.029 4.338 4.350 -0.068 0.000 0.263 91 E C 1.008 177.524 176.600 -0.141 0.000 1.000 91 E CA 0.091 56.406 56.400 -0.143 0.000 0.914 91 E CB 0.386 29.995 29.700 -0.151 0.000 0.948 91 E HN 0.511 nan 8.360 nan 0.000 0.444 92 N N 1.104 119.743 118.700 -0.103 0.000 2.430 92 N HA -0.192 4.507 4.740 -0.068 0.000 0.186 92 N C 0.800 176.258 175.510 -0.087 0.000 1.032 92 N CA 1.347 54.347 53.050 -0.083 0.000 0.893 92 N CB -0.292 38.156 38.487 -0.066 0.000 0.957 92 N HN 0.338 nan 8.380 nan 0.000 0.442 93 S N -2.064 113.568 115.700 -0.113 0.000 2.593 93 S HA 0.101 4.530 4.470 -0.068 0.000 0.217 93 S C 1.310 175.799 174.600 -0.185 0.000 0.966 93 S CA 0.060 58.190 58.200 -0.117 0.000 0.914 93 S CB -0.402 62.738 63.200 -0.099 0.000 0.776 93 S HN 0.259 nan 8.310 nan 0.000 0.523 94 T N 1.329 115.706 114.554 -0.295 0.000 2.857 94 T HA 0.154 4.464 4.350 -0.068 0.000 0.266 94 T C 0.327 174.587 174.700 -0.734 0.000 1.048 94 T CA 0.847 62.611 62.100 -0.560 0.000 1.139 94 T CB -0.386 68.001 68.868 -0.801 0.000 0.874 94 T HN 0.525 nan 8.240 nan 0.000 0.455 95 F N 1.167 120.980 119.950 -0.229 0.000 2.819 95 F HA 0.364 4.850 4.527 -0.068 0.000 0.294 95 F C 1.261 177.011 175.800 -0.083 0.000 1.166 95 F CA -1.191 56.683 58.000 -0.211 0.000 1.374 95 F CB -0.189 38.584 39.000 -0.378 0.000 0.956 95 F HN 0.014 nan 8.300 nan 0.000 0.509 96 D N 0.842 121.253 120.400 0.018 0.000 2.091 96 D HA -0.168 4.431 4.640 -0.068 0.000 0.199 96 D C 1.098 177.436 176.300 0.063 0.000 0.980 96 D CA 0.991 55.008 54.000 0.029 0.000 0.831 96 D CB 0.155 40.941 40.800 -0.023 0.000 0.987 96 D HN 0.076 nan 8.370 nan 0.000 0.460 97 E N -0.690 119.531 120.200 0.036 0.000 1.795 97 E HA 0.131 4.441 4.350 -0.068 0.000 0.261 97 E C -0.384 176.334 176.600 0.197 0.000 1.238 97 E CA 0.090 56.526 56.400 0.060 0.000 1.001 97 E CB -0.721 28.986 29.700 0.011 0.000 1.065 97 E HN 0.369 nan 8.360 nan 0.000 0.418 98 F N 1.412 121.360 119.950 -0.003 0.000 1.806 98 F HA 0.381 4.867 4.527 -0.068 0.000 0.245 98 F C 1.507 177.261 175.800 -0.076 0.000 1.158 98 F CA 0.720 58.732 58.000 0.019 0.000 1.289 98 F CB 0.318 39.358 39.000 0.068 0.000 1.718 98 F HN 0.469 nan 8.300 nan 0.000 0.480 99 G N 0.121 108.775 108.800 -0.244 0.000 2.428 99 G HA2 -0.057 3.863 3.960 -0.068 0.000 0.199 99 G HA3 -0.057 3.863 3.960 -0.068 0.000 0.199 99 G C -0.185 174.320 174.900 -0.659 0.000 1.005 99 G CA 0.007 44.782 45.100 -0.541 0.000 0.671 99 G HN 0.529 nan 8.290 nan 0.000 0.485 100 H N 0.203 119.132 119.070 -0.234 0.000 2.731 100 H HA 0.678 5.193 4.556 -0.069 0.000 0.368 100 H C -0.629 174.790 175.328 0.152 0.000 1.168 100 H CA -0.058 55.942 56.048 -0.080 0.000 1.181 100 H CB 1.770 31.306 29.762 -0.375 0.000 1.743 100 H HN 0.137 nan 8.280 nan 0.000 0.547 101 S N 1.203 117.038 115.700 0.225 0.000 2.523 101 S HA 0.244 4.673 4.470 -0.068 0.000 0.275 101 S C -0.050 174.641 174.600 0.152 0.000 1.281 101 S CA -0.701 57.590 58.200 0.151 0.000 1.050 101 S CB -0.432 62.828 63.200 0.100 0.000 0.937 101 S HN 0.295 nan 8.310 nan 0.000 0.492 102 I N 5.532 126.133 120.570 0.052 0.000 2.312 102 I HA 0.285 4.415 4.170 -0.068 0.000 0.291 102 I C 1.225 177.334 176.117 -0.014 0.000 1.031 102 I CA -0.148 61.145 61.300 -0.013 0.000 1.293 102 I CB 1.230 39.117 38.000 -0.189 0.000 1.403 102 I HN 0.654 nan 8.210 nan 0.000 0.484 103 N N 3.311 122.004 118.700 -0.012 0.000 2.148 103 N HA -0.064 4.636 4.740 -0.068 0.000 0.186 103 N C 0.143 175.599 175.510 -0.090 0.000 1.031 103 N CA 1.372 54.369 53.050 -0.089 0.000 0.848 103 N CB 0.320 38.710 38.487 -0.162 0.000 1.005 103 N HN 0.683 nan 8.380 nan 0.000 0.427 104 D N -2.808 117.565 120.400 -0.046 0.000 2.626 104 D HA 0.242 4.841 4.640 -0.068 0.000 0.278 104 D C -1.567 174.784 176.300 0.085 0.000 1.211 104 D CA -0.547 53.448 54.000 -0.008 0.000 0.903 104 D CB 1.031 41.786 40.800 -0.075 0.000 1.408 104 D HN 0.111 nan 8.370 nan 0.000 0.454 105 Y N -1.464 118.837 120.300 0.002 0.000 2.581 105 Y HA 0.739 5.247 4.550 -0.070 0.000 0.345 105 Y C -1.223 174.750 175.900 0.121 0.000 1.036 105 Y CA -0.993 57.127 58.100 0.033 0.000 1.042 105 Y CB 1.780 40.230 38.460 -0.015 0.000 1.289 105 Y HN 0.130 nan 8.280 nan 0.000 0.471 106 S N 3.590 119.452 115.700 0.269 0.000 2.750 106 S HA 0.561 4.991 4.470 -0.068 0.000 0.276 106 S C -1.230 173.725 174.600 0.593 0.000 1.165 106 S CA -0.722 57.673 58.200 0.325 0.000 1.047 106 S CB 0.088 63.481 63.200 0.322 0.000 1.056 106 S HN 0.634 nan 8.310 nan 0.000 0.481 107 I N 4.264 125.074 120.570 0.400 0.000 2.696 107 I HA 0.219 4.348 4.170 -0.068 0.000 0.284 107 I C 1.211 177.150 176.117 -0.297 0.000 1.129 107 I CA -0.227 61.188 61.300 0.191 0.000 1.410 107 I CB 0.886 38.992 38.000 0.177 0.000 1.399 107 I HN 0.759 nan 8.210 nan 0.000 0.579 108 S N 5.557 120.774 115.700 -0.804 0.000 2.576 108 S HA 0.219 4.649 4.470 -0.068 0.000 0.276 108 S C -1.784 172.492 174.600 -0.541 0.000 1.339 108 S CA -1.008 56.346 58.200 -1.411 0.000 1.039 108 S CB 0.908 63.246 63.200 -1.436 0.000 0.902 108 S HN 0.420 nan 8.310 nan 0.000 0.516 109 P HA -0.174 nan 4.420 nan 0.000 0.217 109 P C 0.801 178.039 177.300 -0.102 0.000 1.151 109 P CA 1.647 64.654 63.100 -0.155 0.000 0.849 109 P CB -0.148 31.488 31.700 -0.108 0.000 0.787 110 D N -2.203 118.138 120.400 -0.097 0.000 2.340 110 D HA 0.079 4.678 4.640 -0.068 0.000 0.220 110 D C 1.288 177.564 176.300 -0.039 0.000 1.039 110 D CA 0.587 54.570 54.000 -0.029 0.000 0.866 110 D CB -1.182 39.649 40.800 0.052 0.000 0.913 110 D HN 0.180 nan 8.370 nan 0.000 0.523 111 G N 0.656 109.410 108.800 -0.077 0.000 2.225 111 G HA2 -0.378 3.541 3.960 -0.068 0.000 0.267 111 G HA3 -0.378 3.541 3.960 -0.068 0.000 0.267 111 G C 0.750 175.633 174.900 -0.028 0.000 1.024 111 G CA 0.653 45.748 45.100 -0.007 0.000 0.784 111 G HN 0.481 nan 8.290 nan 0.000 0.507 112 Q N -1.883 117.818 119.800 -0.164 0.000 2.391 112 Q HA 0.396 4.695 4.340 -0.068 0.000 0.211 112 Q C 0.158 175.701 176.000 -0.761 0.000 0.908 112 Q CA 0.559 56.092 55.803 -0.451 0.000 0.920 112 Q CB 0.654 29.046 28.738 -0.575 0.000 1.056 112 Q HN 0.559 nan 8.270 nan 0.000 0.523 113 F N -0.168 119.716 119.950 -0.111 0.000 2.599 113 F HA 0.508 4.994 4.527 -0.068 0.000 0.311 113 F C -0.658 175.217 175.800 0.125 0.000 1.076 113 F CA -1.147 56.860 58.000 0.013 0.000 0.937 113 F CB 1.883 40.919 39.000 0.061 0.000 1.282 113 F HN -0.204 nan 8.300 nan 0.000 0.460 114 I N 3.223 124.103 120.570 0.516 0.000 2.498 114 I HA 0.504 4.633 4.170 -0.068 0.000 0.290 114 I C -1.805 174.619 176.117 0.512 0.000 1.032 114 I CA -1.085 60.520 61.300 0.508 0.000 1.073 114 I CB 1.556 39.795 38.000 0.398 0.000 1.251 114 I HN 0.554 nan 8.210 nan 0.000 0.426 115 L N 8.483 130.038 121.223 0.553 0.000 2.260 115 L HA 0.501 4.800 4.340 -0.068 0.000 0.289 115 L C -1.341 175.662 176.870 0.221 0.000 1.057 115 L CA 0.019 55.050 54.840 0.318 0.000 0.811 115 L CB 0.954 43.089 42.059 0.126 0.000 1.184 115 L HN 0.506 nan 8.230 nan 0.000 0.429 116 L N 5.161 126.458 121.223 0.123 0.000 2.282 116 L HA 0.527 4.826 4.340 -0.068 0.000 0.288 116 L C -0.063 176.873 176.870 0.109 0.000 1.033 116 L CA -0.307 54.525 54.840 -0.014 0.000 0.807 116 L CB 1.456 43.284 42.059 -0.385 0.000 1.209 116 L HN 0.600 nan 8.230 nan 0.000 0.423 117 E N 3.874 124.099 120.200 0.043 0.000 2.133 117 E HA 0.454 4.764 4.350 -0.068 0.000 0.274 117 E C -1.597 174.969 176.600 -0.056 0.000 0.930 117 E CA -0.571 55.716 56.400 -0.188 0.000 0.770 117 E CB 1.080 30.739 29.700 -0.069 0.000 1.104 117 E HN 0.482 nan 8.360 nan 0.000 0.403 118 Y N 1.688 121.816 120.300 -0.287 0.000 2.715 118 Y HA 0.465 4.974 4.550 -0.069 0.000 0.331 118 Y C -0.202 175.627 175.900 -0.119 0.000 1.197 118 Y CA -1.607 56.420 58.100 -0.121 0.000 1.079 118 Y CB 0.494 38.953 38.460 -0.001 0.000 1.298 118 Y HN 0.502 nan 8.280 nan 0.000 0.477 119 N N -0.179 118.560 118.700 0.064 0.000 2.727 119 N HA -0.302 4.398 4.740 -0.068 0.000 0.249 119 N C -1.113 174.386 175.510 -0.019 0.000 1.048 119 N CA 1.017 54.064 53.050 -0.005 0.000 0.714 119 N CB -1.588 36.823 38.487 -0.127 0.000 0.959 119 N HN 0.866 nan 8.380 nan 0.000 0.544 120 Y N 0.100 120.344 120.300 -0.094 0.000 2.569 120 Y HA 0.317 4.827 4.550 -0.066 0.000 0.332 120 Y C -0.065 175.803 175.900 -0.053 0.000 1.120 120 Y CA -0.225 57.816 58.100 -0.099 0.000 1.416 120 Y CB 0.697 39.044 38.460 -0.187 0.000 1.210 120 Y HN 0.001 nan 8.280 nan 0.000 0.528 121 V N 7.934 127.543 119.914 -0.508 0.000 2.407 121 V HA 0.228 4.307 4.120 -0.068 0.000 0.291 121 V C -0.167 175.517 176.094 -0.684 0.000 1.018 121 V CA -1.433 60.577 62.300 -0.483 0.000 0.842 121 V CB 1.263 32.949 31.823 -0.228 0.000 0.996 121 V HN 0.762 nan 8.190 nan 0.000 0.426 122 K N 3.507 123.471 120.400 -0.727 0.000 2.414 122 K HA 0.175 4.454 4.320 -0.068 0.000 0.272 122 K C 0.425 176.819 176.600 -0.343 0.000 0.993 122 K CA 0.294 56.303 56.287 -0.463 0.000 0.964 122 K CB 1.040 33.440 32.500 -0.166 0.000 0.925 122 K HN 0.831 nan 8.250 nan 0.000 0.487 123 Q N 2.394 121.984 119.800 -0.351 0.000 2.362 123 Q HA 0.190 4.489 4.340 -0.068 0.000 0.190 123 Q C -0.185 175.526 176.000 -0.481 0.000 0.763 123 Q CA -0.422 54.980 55.803 -0.668 0.000 0.681 123 Q CB 0.163 28.354 28.738 -0.912 0.000 2.020 123 Q HN 0.708 nan 8.270 nan 0.000 0.483 124 W N 0.181 121.475 121.300 -0.011 0.000 2.090 124 W HA 0.417 5.035 4.660 -0.070 0.000 0.609 124 W C 1.657 178.163 176.519 -0.022 0.000 1.671 124 W CA -0.723 56.645 57.345 0.038 0.000 1.756 124 W CB -0.128 29.342 29.460 0.018 0.000 2.998 124 W HN 0.272 nan 8.180 nan 0.000 0.761 125 R N -0.548 120.045 120.500 0.156 0.000 2.105 125 R HA -0.176 4.123 4.340 -0.068 0.000 0.239 125 R C 1.664 177.802 176.300 -0.270 0.000 1.135 125 R CA 1.916 57.936 56.100 -0.132 0.000 0.967 125 R CB -0.399 29.694 30.300 -0.345 0.000 0.861 125 R HN 0.524 nan 8.270 nan 0.000 0.442 126 H N -1.389 117.756 119.070 0.124 0.000 2.800 126 H HA 0.148 4.663 4.556 -0.067 0.000 0.257 126 H C 0.640 176.068 175.328 0.167 0.000 0.967 126 H CA 0.497 56.642 56.048 0.160 0.000 1.192 126 H CB 0.258 30.091 29.762 0.118 0.000 1.441 126 H HN 0.150 nan 8.280 nan 0.000 0.461 127 S N 1.224 116.933 115.700 0.014 0.000 2.592 127 S HA 0.385 4.814 4.470 -0.068 0.000 0.271 127 S C -0.248 174.226 174.600 -0.209 0.000 1.326 127 S CA -0.456 57.437 58.200 -0.512 0.000 1.024 127 S CB 0.801 63.224 63.200 -1.295 0.000 0.921 127 S HN 0.459 nan 8.310 nan 0.000 0.527 128 Y N -2.186 117.944 120.300 -0.283 0.000 2.818 128 Y HA 0.725 5.237 4.550 -0.063 0.000 0.341 128 Y C -0.972 174.907 175.900 -0.035 0.000 1.283 128 Y CA -1.208 56.764 58.100 -0.213 0.000 1.075 128 Y CB 0.737 39.082 38.460 -0.192 0.000 1.370 128 Y HN 0.612 nan 8.280 nan 0.000 0.448 129 T N 1.176 115.821 114.554 0.152 0.000 2.900 129 T HA 0.914 5.223 4.350 -0.068 0.000 0.295 129 T C -1.256 173.548 174.700 0.175 0.000 1.044 129 T CA -0.040 62.134 62.100 0.123 0.000 0.995 129 T CB 1.456 70.326 68.868 0.003 0.000 1.072 129 T HN 1.273 nan 8.240 nan 0.000 0.473 130 A N 1.593 124.479 122.820 0.112 0.000 2.599 130 A HA 0.738 5.017 4.320 -0.068 0.000 0.294 130 A C -0.772 176.577 177.584 -0.393 0.000 1.055 130 A CA -0.795 51.159 52.037 -0.138 0.000 0.683 130 A CB 1.253 20.182 19.000 -0.118 0.000 1.278 130 A HN 0.645 nan 8.150 nan 0.000 0.412 131 S N -0.054 115.206 115.700 -0.733 0.000 2.616 131 S HA 0.763 5.192 4.470 -0.068 0.000 0.277 131 S C -1.259 172.653 174.600 -1.146 0.000 1.234 131 S CA 0.003 57.673 58.200 -0.882 0.000 1.028 131 S CB 0.453 62.916 63.200 -1.228 0.000 0.988 131 S HN 0.456 nan 8.310 nan 0.000 0.522 132 Y N 0.172 120.226 120.300 -0.409 0.000 2.477 132 Y HA 0.476 4.986 4.550 -0.067 0.000 0.347 132 Y C -0.095 175.812 175.900 0.013 0.000 0.981 132 Y CA -0.933 57.070 58.100 -0.162 0.000 1.033 132 Y CB 1.719 40.046 38.460 -0.222 0.000 1.245 132 Y HN 0.516 nan 8.280 nan 0.000 0.455 133 D N 2.195 122.789 120.400 0.322 0.000 2.477 133 D HA 0.587 5.186 4.640 -0.068 0.000 0.234 133 D C -0.963 175.462 176.300 0.209 0.000 1.048 133 D CA -0.386 53.776 54.000 0.270 0.000 0.959 133 D CB 2.795 43.842 40.800 0.411 0.000 1.408 133 D HN 0.396 nan 8.370 nan 0.000 0.496 134 I N 1.529 122.219 120.570 0.200 0.000 2.418 134 I HA 0.203 4.332 4.170 -0.068 0.000 0.287 134 I C -1.036 175.290 176.117 0.349 0.000 1.008 134 I CA -0.933 60.514 61.300 0.244 0.000 1.104 134 I CB 1.558 39.645 38.000 0.145 0.000 1.264 134 I HN 0.214 nan 8.210 nan 0.000 0.438 135 Y N 5.808 126.274 120.300 0.277 0.000 2.326 135 Y HA 0.277 4.787 4.550 -0.066 0.000 0.337 135 Y C 0.050 176.148 175.900 0.330 0.000 1.023 135 Y CA -0.405 57.879 58.100 0.307 0.000 1.143 135 Y CB 0.888 39.585 38.460 0.395 0.000 1.183 135 Y HN 0.482 nan 8.280 nan 0.000 0.485 136 D N 5.719 126.025 120.400 -0.157 0.000 2.312 136 D HA 0.090 4.690 4.640 -0.068 0.000 0.252 136 D C 0.543 176.523 176.300 -0.533 0.000 1.150 136 D CA 0.299 54.166 54.000 -0.222 0.000 0.870 136 D CB 1.187 41.916 40.800 -0.118 0.000 1.153 136 D HN 0.848 nan 8.370 nan 0.000 0.457 137 L N 3.571 124.556 121.223 -0.397 0.000 2.162 137 L HA -0.052 4.247 4.340 -0.068 0.000 0.205 137 L C 1.975 178.685 176.870 -0.266 0.000 1.086 137 L CA 0.352 55.044 54.840 -0.247 0.000 0.778 137 L CB -0.188 41.774 42.059 -0.161 0.000 0.928 137 L HN 0.376 nan 8.230 nan 0.000 0.446 138 N N 0.354 118.862 118.700 -0.320 0.000 2.354 138 N HA -0.113 4.586 4.740 -0.068 0.000 0.179 138 N C 1.521 176.916 175.510 -0.191 0.000 1.021 138 N CA 0.985 53.896 53.050 -0.232 0.000 0.887 138 N CB -0.001 38.345 38.487 -0.234 0.000 0.974 138 N HN 0.371 nan 8.380 nan 0.000 0.437 139 K N 0.347 120.614 120.400 -0.221 0.000 2.361 139 K HA 0.196 4.476 4.320 -0.068 0.000 0.196 139 K C 0.060 176.540 176.600 -0.199 0.000 1.039 139 K CA -0.174 56.011 56.287 -0.171 0.000 1.001 139 K CB 0.513 32.928 32.500 -0.141 0.000 0.795 139 K HN -0.087 nan 8.250 nan 0.000 0.495 140 R N 1.306 121.628 120.500 -0.297 0.000 3.651 140 R HA -0.158 4.141 4.340 -0.068 0.000 0.292 140 R C -0.799 175.288 176.300 -0.354 0.000 1.161 140 R CA 1.050 56.977 56.100 -0.288 0.000 0.787 140 R CB -2.169 28.077 30.300 -0.090 0.000 1.249 140 R HN 0.648 nan 8.270 nan 0.000 0.476 141 Q N -1.252 118.178 119.800 -0.616 0.000 2.435 141 Q HA 0.523 4.822 4.340 -0.068 0.000 0.282 141 Q C -0.615 175.238 176.000 -0.245 0.000 1.020 141 Q CA -1.113 54.517 55.803 -0.287 0.000 0.820 141 Q CB 1.340 30.035 28.738 -0.070 0.000 1.436 141 Q HN 0.088 nan 8.270 nan 0.000 0.395 142 L N 1.907 123.210 121.223 0.134 0.000 2.455 142 L HA 0.169 4.468 4.340 -0.068 0.000 0.272 142 L C -0.153 176.796 176.870 0.133 0.000 1.174 142 L CA -0.407 54.584 54.840 0.252 0.000 0.869 142 L CB 0.250 42.534 42.059 0.376 0.000 1.130 142 L HN 0.576 nan 8.230 nan 0.000 0.474 143 I N 2.757 123.407 120.570 0.133 0.000 2.587 143 I HA -0.075 4.054 4.170 -0.068 0.000 0.284 143 I C 1.425 177.585 176.117 0.071 0.000 1.134 143 I CA 0.712 62.062 61.300 0.083 0.000 1.410 143 I CB 1.157 39.195 38.000 0.064 0.000 1.392 143 I HN 0.706 nan 8.210 nan 0.000 0.545 144 T N 1.651 116.232 114.554 0.045 0.000 3.014 144 T HA 0.146 4.456 4.350 -0.068 0.000 0.250 144 T C 0.525 175.227 174.700 0.003 0.000 1.060 144 T CA -0.331 61.788 62.100 0.031 0.000 1.040 144 T CB -0.063 68.822 68.868 0.029 0.000 0.971 144 T HN 0.549 nan 8.240 nan 0.000 0.497 145 E N 1.853 122.050 120.200 -0.004 0.000 2.283 145 E HA 0.198 4.507 4.350 -0.068 0.000 0.271 145 E C -0.617 175.957 176.600 -0.044 0.000 1.031 145 E CA -0.594 55.793 56.400 -0.022 0.000 0.868 145 E CB 0.595 30.285 29.700 -0.016 0.000 1.094 145 E HN 0.160 nan 8.360 nan 0.000 0.401 146 E N 0.940 121.102 120.200 -0.062 0.000 2.246 146 E HA -0.235 4.074 4.350 -0.068 0.000 0.173 146 E C -0.667 175.860 176.600 -0.121 0.000 1.532 146 E CA 0.719 57.064 56.400 -0.093 0.000 0.672 146 E CB -1.139 28.510 29.700 -0.085 0.000 1.078 146 E HN 0.462 nan 8.360 nan 0.000 0.338 147 R N 0.262 120.681 120.500 -0.135 0.000 2.490 147 R HA 0.411 4.711 4.340 -0.068 0.000 0.278 147 R C 1.019 177.151 176.300 -0.280 0.000 1.069 147 R CA -0.639 55.365 56.100 -0.159 0.000 1.080 147 R CB 0.722 30.955 30.300 -0.111 0.000 1.030 147 R HN 0.208 nan 8.270 nan 0.000 0.491 148 I N 5.243 125.608 120.570 -0.341 0.000 2.598 148 I HA 0.033 4.163 4.170 -0.068 0.000 0.284 148 I C -1.540 174.276 176.117 -0.502 0.000 1.140 148 I CA -1.441 59.509 61.300 -0.584 0.000 1.420 148 I CB 0.412 38.044 38.000 -0.614 0.000 1.387 148 I HN 0.343 nan 8.210 nan 0.000 0.553 149 P HA 0.036 nan 4.420 nan 0.000 0.269 149 P C -0.780 176.287 177.300 -0.387 0.000 1.215 149 P CA -0.311 62.389 63.100 -0.667 0.000 0.780 149 P CB 0.390 31.249 31.700 -1.403 0.000 0.898 150 N N 1.610 120.173 118.700 -0.230 0.000 2.416 150 N HA -0.054 4.646 4.740 -0.068 0.000 0.246 150 N C 0.313 175.886 175.510 0.106 0.000 1.260 150 N CA 0.439 53.435 53.050 -0.090 0.000 0.897 150 N CB -0.684 37.772 38.487 -0.053 0.000 1.110 150 N HN 0.425 nan 8.380 nan 0.000 0.439 151 N N -1.379 117.377 118.700 0.093 0.000 2.783 151 N HA -0.156 4.543 4.740 -0.068 0.000 0.247 151 N C -1.142 174.568 175.510 0.333 0.000 1.089 151 N CA 0.613 53.772 53.050 0.180 0.000 0.690 151 N CB -1.218 37.382 38.487 0.188 0.000 0.991 151 N HN 0.453 nan 8.380 nan 0.000 0.552 152 T N 0.166 114.890 114.554 0.283 0.000 2.869 152 T HA 0.133 4.442 4.350 -0.068 0.000 0.295 152 T C 1.409 176.275 174.700 0.278 0.000 0.987 152 T CA -0.146 62.146 62.100 0.320 0.000 1.109 152 T CB 1.441 70.417 68.868 0.180 0.000 0.932 152 T HN 0.186 nan 8.240 nan 0.000 0.518 153 Q N 1.571 121.530 119.800 0.266 0.000 2.302 153 Q HA 0.168 4.468 4.340 -0.068 0.000 0.202 153 Q C 0.028 176.220 176.000 0.321 0.000 0.936 153 Q CA 0.372 56.358 55.803 0.304 0.000 0.886 153 Q CB 0.799 29.703 28.738 0.277 0.000 0.986 153 Q HN 0.696 nan 8.270 nan 0.000 0.487 154 W N 0.333 121.607 121.300 -0.043 0.000 3.645 154 W HA 0.416 5.034 4.660 -0.070 0.000 0.285 154 W C -2.120 174.309 176.519 -0.149 0.000 1.266 154 W CA -0.837 56.426 57.345 -0.136 0.000 1.212 154 W CB 1.185 30.513 29.460 -0.220 0.000 1.306 154 W HN -0.266 nan 8.180 nan 0.000 0.552 155 V N 1.616 120.874 119.914 -1.093 0.000 2.841 155 V HA 0.904 4.984 4.120 -0.068 0.000 0.310 155 V C -0.972 174.504 176.094 -1.031 0.000 1.090 155 V CA -0.632 61.130 62.300 -0.897 0.000 0.930 155 V CB 1.297 32.464 31.823 -1.093 0.000 1.014 155 V HN 0.572 nan 8.190 nan 0.000 0.425 156 T N 3.223 117.475 114.554 -0.503 0.000 3.041 156 T HA 0.545 4.854 4.350 -0.068 0.000 0.321 156 T C -1.276 173.427 174.700 0.004 0.000 1.184 156 T CA -0.334 61.644 62.100 -0.204 0.000 1.050 156 T CB 0.979 69.969 68.868 0.205 0.000 1.159 156 T HN 0.768 nan 8.240 nan 0.000 0.469 157 W N 3.001 124.339 121.300 0.064 0.000 2.093 157 W HA 0.472 5.091 4.660 -0.069 0.000 0.352 157 W C 1.238 177.587 176.519 -0.284 0.000 1.294 157 W CA -0.681 56.638 57.345 -0.043 0.000 1.290 157 W CB 0.517 29.951 29.460 -0.044 0.000 1.149 157 W HN 0.777 nan 8.180 nan 0.000 0.606 158 S N 0.755 116.147 115.700 -0.514 0.000 2.614 158 S HA 0.191 4.621 4.470 -0.068 0.000 0.265 158 S C -1.883 172.469 174.600 -0.413 0.000 1.303 158 S CA -1.021 56.411 58.200 -1.280 0.000 1.000 158 S CB 0.952 63.327 63.200 -1.375 0.000 0.935 158 S HN 0.260 nan 8.310 nan 0.000 0.551 159 P HA 0.040 nan 4.420 nan 0.000 0.221 159 P C 0.342 177.600 177.300 -0.069 0.000 1.150 159 P CA 0.692 63.762 63.100 -0.051 0.000 0.800 159 P CB -0.210 31.504 31.700 0.023 0.000 0.787 160 V N -6.345 113.488 119.914 -0.135 0.000 3.074 160 V HA 0.895 4.975 4.120 -0.068 0.000 0.314 160 V C 0.584 176.585 176.094 -0.155 0.000 1.117 160 V CA -0.346 61.890 62.300 -0.108 0.000 1.014 160 V CB 0.869 32.648 31.823 -0.072 0.000 1.057 160 V HN 0.419 nan 8.190 nan 0.000 0.438 161 G N 1.819 110.552 108.800 -0.112 0.000 2.528 161 G HA2 -0.181 3.738 3.960 -0.068 0.000 0.262 161 G HA3 -0.181 3.738 3.960 -0.068 0.000 0.262 161 G C 0.191 175.048 174.900 -0.072 0.000 1.200 161 G CA 0.727 45.748 45.100 -0.131 0.000 0.951 161 G HN 2.533 nan 8.290 nan 0.000 0.566 162 H N -0.538 118.518 119.070 -0.023 0.000 3.074 162 H HA 0.448 4.963 4.556 -0.068 0.000 0.227 162 H C 0.204 175.630 175.328 0.163 0.000 1.365 162 H CA -0.198 55.892 56.048 0.069 0.000 1.078 162 H CB -0.303 29.538 29.762 0.131 0.000 2.347 162 H HN 0.515 nan 8.280 nan 0.000 0.567 163 K N 1.286 121.675 120.400 -0.020 0.000 2.258 163 K HA 0.348 4.628 4.320 -0.068 0.000 0.264 163 K C -0.791 175.888 176.600 0.132 0.000 1.007 163 K CA -0.647 55.634 56.287 -0.011 0.000 0.941 163 K CB 1.295 33.638 32.500 -0.262 0.000 0.966 163 K HN 0.046 nan 8.250 nan 0.000 0.480 164 L N 1.432 122.784 121.223 0.214 0.000 2.410 164 L HA 0.513 4.812 4.340 -0.068 0.000 0.270 164 L C -1.462 175.605 176.870 0.328 0.000 0.983 164 L CA -0.226 54.714 54.840 0.166 0.000 0.822 164 L CB 1.784 43.822 42.059 -0.037 0.000 1.285 164 L HN 0.754 nan 8.230 nan 0.000 0.409 165 A N 4.156 127.185 122.820 0.348 0.000 2.355 165 A HA 0.849 5.128 4.320 -0.068 0.000 0.317 165 A C -1.718 175.916 177.584 0.083 0.000 1.094 165 A CA -0.379 51.759 52.037 0.168 0.000 0.764 165 A CB 1.081 20.114 19.000 0.055 0.000 1.230 165 A HN 0.779 nan 8.150 nan 0.000 0.448 166 Y N -0.865 119.402 120.300 -0.055 0.000 2.597 166 Y HA 0.743 5.253 4.550 -0.068 0.000 0.340 166 Y C -1.308 174.614 175.900 0.037 0.000 1.097 166 Y CA -1.541 56.505 58.100 -0.089 0.000 1.037 166 Y CB 1.110 39.445 38.460 -0.208 0.000 1.305 166 Y HN 0.409 nan 8.280 nan 0.000 0.463 167 V N 2.013 122.067 119.914 0.234 0.000 2.448 167 V HA 0.380 4.460 4.120 -0.068 0.000 0.295 167 V C -1.518 174.795 176.094 0.365 0.000 1.025 167 V CA -0.648 61.771 62.300 0.198 0.000 0.859 167 V CB 1.379 33.230 31.823 0.047 0.000 0.988 167 V HN 0.878 nan 8.190 nan 0.000 0.431 168 W N 5.330 126.734 121.300 0.172 0.000 2.968 168 W HA 0.515 5.134 4.660 -0.069 0.000 0.337 168 W C 0.189 176.770 176.519 0.103 0.000 1.060 168 W CA -0.688 56.724 57.345 0.111 0.000 1.240 168 W CB 1.278 30.758 29.460 0.032 0.000 1.370 168 W HN 0.769 nan 8.180 nan 0.000 0.459 169 N N 5.245 123.603 118.700 -0.571 0.000 2.754 169 N HA -0.326 4.374 4.740 -0.068 0.000 0.248 169 N C 0.165 175.520 175.510 -0.259 0.000 1.093 169 N CA 1.141 53.856 53.050 -0.559 0.000 0.699 169 N CB -1.205 36.739 38.487 -0.906 0.000 1.016 169 N HN 0.804 nan 8.380 nan 0.000 0.552 170 N N -2.332 116.286 118.700 -0.136 0.000 2.878 170 N HA -0.173 4.527 4.740 -0.068 0.000 0.247 170 N C -1.342 174.106 175.510 -0.103 0.000 1.021 170 N CA 1.067 54.058 53.050 -0.098 0.000 0.873 170 N CB -0.401 37.985 38.487 -0.168 0.000 1.128 170 N HN 0.423 nan 8.380 nan 0.000 0.571 171 D N 0.681 121.029 120.400 -0.086 0.000 2.342 171 D HA 0.486 5.085 4.640 -0.068 0.000 0.243 171 D C 0.149 176.316 176.300 -0.220 0.000 1.019 171 D CA -0.359 53.521 54.000 -0.201 0.000 0.864 171 D CB 1.589 42.217 40.800 -0.286 0.000 1.315 171 D HN 0.052 nan 8.370 nan 0.000 0.468 172 I N 1.995 122.283 120.570 -0.470 0.000 2.365 172 I HA 0.229 4.359 4.170 -0.068 0.000 0.291 172 I C -0.543 175.157 176.117 -0.695 0.000 1.004 172 I CA -0.388 60.616 61.300 -0.494 0.000 1.311 172 I CB 0.490 38.110 38.000 -0.633 0.000 1.401 172 I HN 0.162 nan 8.210 nan 0.000 0.491 173 Y N 4.187 124.105 120.300 -0.636 0.000 2.499 173 Y HA 0.644 5.154 4.550 -0.068 0.000 0.347 173 Y C -0.381 175.158 175.900 -0.601 0.000 0.987 173 Y CA -0.991 56.685 58.100 -0.708 0.000 1.044 173 Y CB 2.218 39.971 38.460 -1.178 0.000 1.245 173 Y HN 0.125 nan 8.280 nan 0.000 0.461 174 V N 2.979 122.827 119.914 -0.110 0.000 2.531 174 V HA 0.396 4.475 4.120 -0.068 0.000 0.301 174 V C -0.818 175.378 176.094 0.170 0.000 1.034 174 V CA -1.393 60.947 62.300 0.068 0.000 0.865 174 V CB 1.867 33.776 31.823 0.143 0.000 0.995 174 V HN 0.629 nan 8.190 nan 0.000 0.424 175 K N 4.475 124.986 120.400 0.185 0.000 2.293 175 K HA 0.485 4.764 4.320 -0.068 0.000 0.267 175 K C 0.359 177.063 176.600 0.173 0.000 1.010 175 K CA -0.708 55.659 56.287 0.133 0.000 0.875 175 K CB 1.704 34.260 32.500 0.094 0.000 1.106 175 K HN 0.448 nan 8.250 nan 0.000 0.450 176 I N 1.311 121.998 120.570 0.194 0.000 2.500 176 I HA -0.059 4.070 4.170 -0.068 0.000 0.252 176 I C 0.420 176.612 176.117 0.126 0.000 1.142 176 I CA 1.390 62.798 61.300 0.180 0.000 1.451 176 I CB -0.254 37.892 38.000 0.243 0.000 1.093 176 I HN 0.554 nan 8.210 nan 0.000 0.430 177 E N 0.075 120.337 120.200 0.103 0.000 2.272 177 E HA 0.267 4.577 4.350 -0.068 0.000 0.269 177 E C -1.926 174.658 176.600 -0.026 0.000 0.877 177 E CA -1.794 54.660 56.400 0.090 0.000 0.755 177 E CB 2.142 31.898 29.700 0.094 0.000 1.192 177 E HN -0.154 nan 8.360 nan 0.000 0.422 178 P HA -0.162 nan 4.420 nan 0.000 0.218 178 P C 0.739 177.948 177.300 -0.153 0.000 1.146 178 P CA 1.313 64.261 63.100 -0.254 0.000 0.813 178 P CB 0.211 31.515 31.700 -0.660 0.000 0.778 179 N N -1.849 116.788 118.700 -0.105 0.000 2.203 179 N HA 0.064 4.764 4.740 -0.068 0.000 0.207 179 N C 0.125 175.610 175.510 -0.042 0.000 1.130 179 N CA -0.025 52.995 53.050 -0.052 0.000 0.861 179 N CB 0.269 38.749 38.487 -0.010 0.000 1.005 179 N HN 0.176 nan 8.380 nan 0.000 0.507 180 L N 1.270 122.462 121.223 -0.051 0.000 2.332 180 L HA 0.526 4.825 4.340 -0.068 0.000 0.269 180 L C -2.175 174.632 176.870 -0.105 0.000 1.016 180 L CA -2.341 52.462 54.840 -0.061 0.000 0.809 180 L CB 1.676 43.710 42.059 -0.043 0.000 1.280 180 L HN -0.116 nan 8.230 nan 0.000 0.447 181 P HA 0.037 nan 4.420 nan 0.000 0.268 181 P C -0.942 176.189 177.300 -0.282 0.000 1.205 181 P CA -0.279 62.721 63.100 -0.166 0.000 0.771 181 P CB 0.837 32.450 31.700 -0.146 0.000 0.858 182 S N 2.340 117.932 115.700 -0.181 0.000 2.554 182 S HA 0.385 4.815 4.470 -0.068 0.000 0.278 182 S C -0.385 174.110 174.600 -0.174 0.000 1.242 182 S CA -0.569 57.537 58.200 -0.156 0.000 1.051 182 S CB -0.006 63.246 63.200 0.086 0.000 0.986 182 S HN 0.256 nan 8.310 nan 0.000 0.502 183 Y N 1.145 121.481 120.300 0.060 0.000 2.319 183 Y HA 0.394 4.903 4.550 -0.068 0.000 0.328 183 Y C 1.051 176.905 175.900 -0.078 0.000 1.133 183 Y CA -0.687 57.427 58.100 0.023 0.000 1.265 183 Y CB 0.648 39.119 38.460 0.018 0.000 1.218 183 Y HN 0.661 nan 8.280 nan 0.000 0.508 184 R N 3.530 124.014 120.500 -0.027 0.000 2.265 184 R HA 0.310 4.610 4.340 -0.068 0.000 0.319 184 R C 0.013 176.070 176.300 -0.405 0.000 1.006 184 R CA -0.320 55.459 56.100 -0.536 0.000 0.880 184 R CB 0.404 30.197 30.300 -0.845 0.000 1.077 184 R HN 0.745 nan 8.270 nan 0.000 0.454 185 I N 2.055 122.299 120.570 -0.542 0.000 2.556 185 I HA -0.020 4.109 4.170 -0.068 0.000 0.251 185 I C 1.219 177.144 176.117 -0.321 0.000 1.105 185 I CA 0.986 62.083 61.300 -0.339 0.000 1.436 185 I CB -0.833 36.930 38.000 -0.395 0.000 1.139 185 I HN 0.637 nan 8.210 nan 0.000 0.438 186 T N -3.691 110.536 114.554 -0.544 0.000 2.932 186 T HA 0.407 4.716 4.350 -0.068 0.000 0.289 186 T C -0.517 173.882 174.700 -0.502 0.000 1.039 186 T CA -0.480 61.407 62.100 -0.356 0.000 1.024 186 T CB 2.083 70.736 68.868 -0.358 0.000 1.090 186 T HN 0.216 nan 8.240 nan 0.000 0.496 187 W N -0.158 121.034 121.300 -0.179 0.000 2.324 187 W HA 0.231 4.851 4.660 -0.067 0.000 0.316 187 W C 1.781 178.246 176.519 -0.089 0.000 0.927 187 W CA -0.130 57.142 57.345 -0.122 0.000 1.438 187 W CB 0.333 29.739 29.460 -0.090 0.000 1.085 187 W HN 0.915 nan 8.180 nan 0.000 0.532 188 T N -2.780 111.816 114.554 0.071 0.000 3.069 188 T HA 0.301 4.610 4.350 -0.068 0.000 0.252 188 T C 1.165 175.859 174.700 -0.010 0.000 1.053 188 T CA 0.152 62.277 62.100 0.041 0.000 0.964 188 T CB -0.010 68.882 68.868 0.041 0.000 1.005 188 T HN -0.005 nan 8.240 nan 0.000 0.532 189 G N 1.357 110.122 108.800 -0.059 0.000 2.313 189 G HA2 0.403 4.323 3.960 -0.068 0.000 0.250 189 G HA3 0.403 4.323 3.960 -0.068 0.000 0.250 189 G C -0.668 174.165 174.900 -0.112 0.000 1.281 189 G CA -0.425 44.616 45.100 -0.099 0.000 0.917 189 G HN 0.518 nan 8.290 nan 0.000 0.501 190 K N 1.984 122.297 120.400 -0.145 0.000 2.553 190 K HA 0.189 4.469 4.320 -0.068 0.000 0.250 190 K C -0.164 176.313 176.600 -0.205 0.000 0.953 190 K CA -0.681 55.522 56.287 -0.139 0.000 0.800 190 K CB 1.732 34.184 32.500 -0.080 0.000 1.243 190 K HN 0.566 nan 8.250 nan 0.000 0.435 191 E N 3.148 123.244 120.200 -0.172 0.000 2.694 191 E HA -0.161 4.148 4.350 -0.068 0.000 0.250 191 E C -0.571 175.950 176.600 -0.131 0.000 0.963 191 E CA 1.094 57.398 56.400 -0.159 0.000 0.949 191 E CB 0.197 29.840 29.700 -0.096 0.000 0.911 191 E HN 0.667 nan 8.360 nan 0.000 0.500 192 D N 2.271 122.577 120.400 -0.156 0.000 2.978 192 D HA -0.251 4.349 4.640 -0.068 0.000 0.205 192 D C 0.643 176.954 176.300 0.020 0.000 1.093 192 D CA 1.572 55.587 54.000 0.024 0.000 1.006 192 D CB -0.949 39.910 40.800 0.099 0.000 1.116 192 D HN 0.489 nan 8.370 nan 0.000 0.419 193 I N -0.871 119.615 120.570 -0.141 0.000 3.650 193 I HA 0.082 4.211 4.170 -0.068 0.000 0.261 193 I C 0.531 176.650 176.117 0.002 0.000 1.154 193 I CA 0.107 61.403 61.300 -0.007 0.000 1.418 193 I CB 0.629 38.628 38.000 -0.001 0.000 1.539 193 I HN -0.154 nan 8.210 nan 0.000 0.449 194 I N 1.363 121.848 120.570 -0.143 0.000 2.418 194 I HA 0.268 4.398 4.170 -0.068 0.000 0.287 194 I C -1.461 174.566 176.117 -0.151 0.000 1.008 194 I CA -0.508 60.775 61.300 -0.028 0.000 1.104 194 I CB 0.923 38.928 38.000 0.009 0.000 1.264 194 I HN 0.045 nan 8.210 nan 0.000 0.438 195 Y N 4.723 125.119 120.300 0.160 0.000 2.356 195 Y HA 0.384 4.894 4.550 -0.068 0.000 0.334 195 Y C 0.423 176.405 175.900 0.138 0.000 0.958 195 Y CA -0.756 57.438 58.100 0.157 0.000 1.196 195 Y CB 0.968 39.581 38.460 0.254 0.000 1.137 195 Y HN 0.401 nan 8.280 nan 0.000 0.485 196 N N 2.465 121.244 118.700 0.130 0.000 2.457 196 N HA 0.305 5.004 4.740 -0.068 0.000 0.250 196 N C 0.919 176.386 175.510 -0.071 0.000 0.982 196 N CA 0.503 53.568 53.050 0.024 0.000 0.941 196 N CB 1.729 40.130 38.487 -0.143 0.000 1.120 196 N HN 1.001 nan 8.380 nan 0.000 0.505 197 G N 1.623 110.408 108.800 -0.025 0.000 2.184 197 G HA2 -0.271 3.649 3.960 -0.068 0.000 0.264 197 G HA3 -0.271 3.649 3.960 -0.068 0.000 0.264 197 G C 0.157 174.895 174.900 -0.269 0.000 0.975 197 G CA 0.814 45.809 45.100 -0.176 0.000 0.642 197 G HN 0.654 nan 8.290 nan 0.000 0.536 198 I N -1.642 118.830 120.570 -0.163 0.000 2.892 198 I HA 0.834 4.963 4.170 -0.068 0.000 0.306 198 I C 0.401 176.447 176.117 -0.118 0.000 1.078 198 I CA -0.688 60.385 61.300 -0.378 0.000 1.032 198 I CB 2.045 39.608 38.000 -0.728 0.000 1.229 198 I HN 0.152 nan 8.210 nan 0.000 0.435 199 T N -0.515 113.877 114.554 -0.270 0.000 2.918 199 T HA 0.374 4.683 4.350 -0.068 0.000 0.283 199 T C -0.225 174.141 174.700 -0.556 0.000 1.001 199 T CA -0.711 61.089 62.100 -0.500 0.000 1.041 199 T CB 1.267 69.987 68.868 -0.247 0.000 1.028 199 T HN 0.776 nan 8.240 nan 0.000 0.511 200 D N 0.329 120.162 120.400 -0.945 0.000 2.433 200 D HA 0.012 4.611 4.640 -0.068 0.000 0.255 200 D C 0.991 177.167 176.300 -0.207 0.000 1.226 200 D CA -1.109 52.405 54.000 -0.809 0.000 1.015 200 D CB 0.218 40.578 40.800 -0.733 0.000 1.091 200 D HN 0.733 nan 8.370 nan 0.000 0.527 201 W N 0.505 121.708 121.300 -0.162 0.000 2.304 201 W HA -0.257 4.362 4.660 -0.069 0.000 0.315 201 W C 2.089 178.487 176.519 -0.201 0.000 1.233 201 W CA 2.516 59.760 57.345 -0.170 0.000 1.261 201 W CB -0.381 28.909 29.460 -0.283 0.000 1.150 201 W HN 0.210 nan 8.180 nan 0.000 0.494 202 V N -0.421 119.553 119.914 0.100 0.000 2.591 202 V HA -0.250 3.829 4.120 -0.068 0.000 0.249 202 V C 1.800 177.723 176.094 -0.285 0.000 1.053 202 V CA 1.866 64.134 62.300 -0.053 0.000 1.068 202 V CB -0.683 31.122 31.823 -0.030 0.000 0.689 202 V HN 0.285 nan 8.190 nan 0.000 0.462 203 Y N 0.735 120.847 120.300 -0.315 0.000 2.263 203 Y HA -0.152 4.357 4.550 -0.068 0.000 0.292 203 Y C 2.566 178.327 175.900 -0.232 0.000 1.130 203 Y CA 2.089 59.998 58.100 -0.318 0.000 1.179 203 Y CB -0.039 38.153 38.460 -0.448 0.000 0.998 203 Y HN 0.399 nan 8.280 nan 0.000 0.532 204 E N 0.355 120.494 120.200 -0.101 0.000 2.051 204 E HA -0.296 4.013 4.350 -0.068 0.000 0.192 204 E C 1.963 178.483 176.600 -0.133 0.000 0.991 204 E CA 1.665 58.027 56.400 -0.064 0.000 0.799 204 E CB -0.017 29.651 29.700 -0.052 0.000 0.748 204 E HN 0.405 nan 8.360 nan 0.000 0.449 205 E N -0.112 119.824 120.200 -0.440 0.000 2.122 205 E HA -0.108 4.202 4.350 -0.068 0.000 0.190 205 E C 1.512 177.963 176.600 -0.249 0.000 0.977 205 E CA 1.145 57.276 56.400 -0.448 0.000 0.820 205 E CB 0.277 29.338 29.700 -1.066 0.000 0.770 205 E HN 0.206 nan 8.360 nan 0.000 0.462 206 E N -0.904 119.126 120.200 -0.283 0.000 2.465 206 E HA 0.126 4.435 4.350 -0.068 0.000 0.209 206 E C 1.444 177.893 176.600 -0.252 0.000 0.951 206 E CA 0.340 56.623 56.400 -0.195 0.000 0.997 206 E CB 1.173 30.753 29.700 -0.200 0.000 1.025 206 E HN 0.181 nan 8.360 nan 0.000 0.500 207 V N -0.559 119.150 119.914 -0.341 0.000 3.001 207 V HA 0.070 4.149 4.120 -0.068 0.000 0.228 207 V C 1.300 177.160 176.094 -0.390 0.000 1.204 207 V CA 0.531 62.538 62.300 -0.487 0.000 1.247 207 V CB -0.242 31.083 31.823 -0.830 0.000 1.093 207 V HN 0.001 nan 8.190 nan 0.000 0.504 208 F N 1.078 121.028 119.950 0.001 0.000 2.776 208 F HA 0.269 4.755 4.527 -0.069 0.000 0.300 208 F C 1.572 177.324 175.800 -0.079 0.000 1.116 208 F CA 0.100 58.112 58.000 0.020 0.000 1.375 208 F CB -0.594 38.456 39.000 0.084 0.000 1.109 208 F HN 0.094 nan 8.300 nan 0.000 0.585 209 S N 0.393 116.099 115.700 0.011 0.000 3.462 209 S HA -0.038 4.392 4.470 -0.068 0.000 0.370 209 S C 0.209 174.414 174.600 -0.658 0.000 1.028 209 S CA 0.464 58.558 58.200 -0.177 0.000 1.119 209 S CB -1.857 61.297 63.200 -0.077 0.000 0.906 209 S HN 0.645 nan 8.310 nan 0.000 0.471 210 A N -0.734 121.901 122.820 -0.308 0.000 2.608 210 A HA 0.686 4.965 4.320 -0.068 0.000 0.292 210 A C -0.319 177.230 177.584 -0.058 0.000 1.066 210 A CA -0.503 51.364 52.037 -0.283 0.000 0.676 210 A CB 0.390 19.247 19.000 -0.239 0.000 1.277 210 A HN 0.328 nan 8.150 nan 0.000 0.413 211 Y N 1.118 121.261 120.300 -0.262 0.000 2.420 211 Y HA 0.151 4.661 4.550 -0.066 0.000 0.292 211 Y C 1.479 177.095 175.900 -0.474 0.000 1.119 211 Y CA 1.087 59.033 58.100 -0.256 0.000 1.229 211 Y CB 0.336 38.691 38.460 -0.174 0.000 1.026 211 Y HN 0.684 nan 8.280 nan 0.000 0.554 212 S N 0.624 115.833 115.700 -0.817 0.000 2.528 212 S HA 0.458 4.887 4.470 -0.068 0.000 0.277 212 S C 0.107 174.169 174.600 -0.898 0.000 1.297 212 S CA 0.053 57.532 58.200 -1.202 0.000 1.052 212 S CB 1.085 63.233 63.200 -1.753 0.000 0.917 212 S HN 0.384 nan 8.310 nan 0.000 0.492 213 A N 5.799 128.094 122.820 -0.875 0.000 2.795 213 A HA 0.515 4.795 4.320 -0.068 0.000 0.282 213 A C -0.525 176.292 177.584 -1.278 0.000 0.964 213 A CA -0.466 50.969 52.037 -1.003 0.000 1.045 213 A CB -0.059 18.828 19.000 -0.187 0.000 1.174 213 A HN 0.724 nan 8.150 nan 0.000 0.493 214 L N 0.309 120.693 121.223 -1.398 0.000 2.362 214 L HA 0.644 4.943 4.340 -0.068 0.000 0.271 214 L C -1.102 175.192 176.870 -0.959 0.000 1.002 214 L CA -0.633 53.682 54.840 -0.876 0.000 0.818 214 L CB 1.966 43.756 42.059 -0.449 0.000 1.298 214 L HN 0.449 nan 8.230 nan 0.000 0.420 215 W N 1.924 123.240 121.300 0.027 0.000 2.802 215 W HA 0.228 4.847 4.660 -0.068 0.000 0.331 215 W C -1.190 175.495 176.519 0.277 0.000 1.021 215 W CA -1.058 56.421 57.345 0.224 0.000 1.259 215 W CB 1.266 30.934 29.460 0.346 0.000 1.323 215 W HN 0.474 nan 8.180 nan 0.000 0.432 216 W N 2.282 123.791 121.300 0.347 0.000 2.184 216 W HA 0.264 4.882 4.660 -0.069 0.000 0.338 216 W C 1.249 177.588 176.519 -0.299 0.000 1.257 216 W CA 0.282 57.690 57.345 0.104 0.000 1.243 216 W CB 0.807 30.302 29.460 0.060 0.000 1.122 216 W HN 0.174 nan 8.180 nan 0.000 0.585 217 S N 2.041 117.458 115.700 -0.472 0.000 2.603 217 S HA 0.200 4.629 4.470 -0.068 0.000 0.268 217 S C -1.813 172.545 174.600 -0.404 0.000 1.317 217 S CA -1.060 56.355 58.200 -1.307 0.000 1.012 217 S CB 1.126 63.581 63.200 -1.243 0.000 0.926 217 S HN 0.271 nan 8.310 nan 0.000 0.539 218 P HA -0.181 nan 4.420 nan 0.000 0.218 218 P C 0.805 178.078 177.300 -0.044 0.000 1.154 218 P CA 1.752 64.827 63.100 -0.042 0.000 0.872 218 P CB -0.215 31.504 31.700 0.032 0.000 0.790 219 N N -2.391 116.264 118.700 -0.074 0.000 2.230 219 N HA 0.154 4.854 4.740 -0.068 0.000 0.202 219 N C 1.035 176.474 175.510 -0.118 0.000 1.119 219 N CA 0.435 53.438 53.050 -0.078 0.000 0.851 219 N CB -0.690 37.764 38.487 -0.056 0.000 0.990 219 N HN 0.150 nan 8.380 nan 0.000 0.497 220 G N -0.875 107.866 108.800 -0.098 0.000 2.148 220 G HA2 -0.342 3.577 3.960 -0.068 0.000 0.254 220 G HA3 -0.342 3.577 3.960 -0.068 0.000 0.254 220 G C 0.903 175.827 174.900 0.041 0.000 0.981 220 G CA 0.808 45.869 45.100 -0.065 0.000 0.670 220 G HN 0.375 nan 8.290 nan 0.000 0.528 221 T N -0.072 114.424 114.554 -0.095 0.000 2.674 221 T HA 0.178 4.487 4.350 -0.068 0.000 0.265 221 T C 0.945 175.491 174.700 -0.256 0.000 1.039 221 T CA 1.376 63.309 62.100 -0.278 0.000 1.150 221 T CB -0.074 68.467 68.868 -0.545 0.000 0.864 221 T HN 0.288 nan 8.240 nan 0.000 0.427 222 F N 0.245 120.234 119.950 0.065 0.000 2.432 222 F HA 0.633 5.120 4.527 -0.068 0.000 0.329 222 F C -0.175 175.695 175.800 0.117 0.000 1.076 222 F CA -1.696 56.377 58.000 0.123 0.000 1.018 222 F CB 1.110 40.251 39.000 0.234 0.000 1.201 222 F HN -0.096 nan 8.300 nan 0.000 0.489 223 L N 2.525 123.920 121.223 0.288 0.000 2.427 223 L HA 0.742 5.041 4.340 -0.068 0.000 0.264 223 L C -0.665 176.310 176.870 0.176 0.000 0.989 223 L CA -0.487 54.332 54.840 -0.035 0.000 0.865 223 L CB 0.606 42.352 42.059 -0.522 0.000 1.209 223 L HN 0.643 nan 8.230 nan 0.000 0.430 224 A N 4.578 127.610 122.820 0.354 0.000 2.354 224 A HA 0.669 4.948 4.320 -0.068 0.000 0.269 224 A C -1.140 176.567 177.584 0.206 0.000 1.109 224 A CA -0.072 52.078 52.037 0.188 0.000 0.800 224 A CB 0.190 19.433 19.000 0.404 0.000 1.045 224 A HN 0.890 nan 8.150 nan 0.000 0.489 225 Y N -1.188 118.881 120.300 -0.385 0.000 2.597 225 Y HA 0.756 5.266 4.550 -0.068 0.000 0.340 225 Y C -0.273 175.426 175.900 -0.334 0.000 1.097 225 Y CA -0.947 57.029 58.100 -0.207 0.000 1.037 225 Y CB 0.994 39.324 38.460 -0.217 0.000 1.305 225 Y HN 0.859 nan 8.280 nan 0.000 0.463 226 A N 2.336 125.234 122.820 0.131 0.000 2.312 226 A HA 0.653 4.932 4.320 -0.068 0.000 0.328 226 A C -1.113 176.413 177.584 -0.097 0.000 1.158 226 A CA -0.818 51.179 52.037 -0.067 0.000 0.821 226 A CB 1.610 20.567 19.000 -0.072 0.000 1.170 226 A HN 0.824 nan 8.150 nan 0.000 0.490 227 Q N 1.148 120.804 119.800 -0.241 0.000 2.321 227 Q HA 0.618 4.917 4.340 -0.068 0.000 0.270 227 Q C -2.032 173.762 176.000 -0.343 0.000 1.032 227 Q CA -0.380 55.384 55.803 -0.064 0.000 0.784 227 Q CB 1.117 30.011 28.738 0.259 0.000 1.264 227 Q HN 0.609 nan 8.270 nan 0.000 0.448 228 F N 2.181 122.242 119.950 0.186 0.000 2.480 228 F HA 0.448 4.935 4.527 -0.067 0.000 0.329 228 F C 0.368 176.332 175.800 0.273 0.000 1.091 228 F CA -0.905 57.192 58.000 0.162 0.000 0.972 228 F CB 1.477 40.500 39.000 0.038 0.000 1.150 228 F HN 0.444 nan 8.300 nan 0.000 0.467 229 N N 1.580 120.508 118.700 0.380 0.000 2.483 229 N HA 0.240 4.940 4.740 -0.068 0.000 0.267 229 N C -1.107 174.577 175.510 0.290 0.000 0.998 229 N CA -0.390 52.833 53.050 0.288 0.000 0.918 229 N CB 1.136 39.736 38.487 0.188 0.000 1.215 229 N HN 0.550 nan 8.380 nan 0.000 0.500 230 D N 1.297 121.881 120.400 0.307 0.000 2.501 230 D HA 0.159 4.758 4.640 -0.068 0.000 0.226 230 D C 1.130 177.542 176.300 0.186 0.000 1.198 230 D CA 0.091 54.257 54.000 0.276 0.000 0.830 230 D CB 0.627 41.658 40.800 0.384 0.000 1.014 230 D HN 0.462 nan 8.370 nan 0.000 0.496 231 T N 0.380 115.023 114.554 0.148 0.000 2.597 231 T HA -0.215 4.095 4.350 -0.068 0.000 0.267 231 T C 1.293 176.047 174.700 0.090 0.000 1.053 231 T CA 1.341 63.502 62.100 0.103 0.000 1.165 231 T CB -0.063 68.855 68.868 0.084 0.000 0.863 231 T HN 0.310 nan 8.240 nan 0.000 0.427 232 E N 0.565 120.819 120.200 0.090 0.000 2.465 232 E HA 0.182 4.492 4.350 -0.068 0.000 0.195 232 E C -0.490 176.160 176.600 0.083 0.000 1.028 232 E CA -0.241 56.204 56.400 0.075 0.000 0.899 232 E CB 0.470 30.207 29.700 0.062 0.000 1.032 232 E HN 0.220 nan 8.360 nan 0.000 0.468 233 V N 3.709 123.687 119.914 0.107 0.000 2.470 233 V HA 0.094 4.173 4.120 -0.068 0.000 0.276 233 V C -1.986 174.167 176.094 0.098 0.000 1.040 233 V CA -1.494 60.874 62.300 0.113 0.000 1.008 233 V CB 0.221 32.132 31.823 0.148 0.000 0.990 233 V HN 0.047 nan 8.190 nan 0.000 0.477 234 P HA 0.247 nan 4.420 nan 0.000 0.272 234 P C -0.632 176.706 177.300 0.062 0.000 1.230 234 P CA -0.272 62.867 63.100 0.064 0.000 0.788 234 P CB 0.534 32.270 31.700 0.059 0.000 0.949 235 L N 2.081 123.319 121.223 0.025 0.000 2.307 235 L HA 0.412 4.712 4.340 -0.068 0.000 0.282 235 L C 0.358 177.185 176.870 -0.073 0.000 1.051 235 L CA -0.942 53.896 54.840 -0.003 0.000 0.804 235 L CB 0.924 42.976 42.059 -0.011 0.000 1.197 235 L HN 0.289 nan 8.230 nan 0.000 0.431 236 I N 2.856 123.342 120.570 -0.139 0.000 2.342 236 I HA 0.214 4.344 4.170 -0.068 0.000 0.291 236 I C -0.216 175.773 176.117 -0.213 0.000 1.010 236 I CA 0.154 61.273 61.300 -0.301 0.000 1.308 236 I CB 0.717 38.275 38.000 -0.737 0.000 1.400 236 I HN 0.548 nan 8.210 nan 0.000 0.488 237 E N 7.568 127.661 120.200 -0.179 0.000 2.183 237 E HA 0.537 4.847 4.350 -0.068 0.000 0.271 237 E C -1.713 174.843 176.600 -0.073 0.000 0.919 237 E CA -0.607 55.690 56.400 -0.172 0.000 0.781 237 E CB 2.004 31.626 29.700 -0.130 0.000 1.140 237 E HN 0.567 nan 8.360 nan 0.000 0.402 238 Y N -1.977 118.250 120.300 -0.122 0.000 2.592 238 Y HA 0.454 4.964 4.550 -0.067 0.000 0.334 238 Y C -0.888 174.946 175.900 -0.110 0.000 1.136 238 Y CA -1.296 56.735 58.100 -0.114 0.000 1.042 238 Y CB 0.685 39.087 38.460 -0.097 0.000 1.325 238 Y HN 0.206 nan 8.280 nan 0.000 0.457 239 S N 2.458 118.154 115.700 -0.007 0.000 2.548 239 S HA 0.425 4.854 4.470 -0.068 0.000 0.277 239 S C -1.233 173.198 174.600 -0.282 0.000 1.315 239 S CA -0.330 57.706 58.200 -0.274 0.000 1.050 239 S CB 0.247 63.138 63.200 -0.515 0.000 0.918 239 S HN 0.549 nan 8.310 nan 0.000 0.497 240 F N 2.399 122.090 119.950 -0.431 0.000 2.449 240 F HA 0.423 4.908 4.527 -0.070 0.000 0.342 240 F C -0.081 175.495 175.800 -0.372 0.000 1.127 240 F CA -0.807 57.020 58.000 -0.288 0.000 0.975 240 F CB 0.870 39.831 39.000 -0.064 0.000 1.146 240 F HN 0.662 nan 8.300 nan 0.000 0.444 241 Y N 2.877 122.947 120.300 -0.382 0.000 2.397 241 Y HA 0.096 4.605 4.550 -0.069 0.000 0.292 241 Y C 1.643 177.453 175.900 -0.151 0.000 1.115 241 Y CA 1.021 58.997 58.100 -0.206 0.000 1.208 241 Y CB -0.384 37.956 38.460 -0.200 0.000 1.046 241 Y HN 0.745 nan 8.280 nan 0.000 0.552 242 S N 0.154 115.730 115.700 -0.205 0.000 3.633 242 S HA -0.300 4.130 4.470 -0.068 0.000 0.637 242 S C -0.248 174.389 174.600 0.061 0.000 2.289 242 S CA 0.180 58.422 58.200 0.070 0.000 2.476 242 S CB -1.446 61.921 63.200 0.278 0.000 0.330 242 S HN 0.523 nan 8.310 nan 0.000 1.787 243 D N 1.285 121.744 120.400 0.099 0.000 2.506 243 D HA 0.168 4.767 4.640 -0.068 0.000 0.234 243 D C 1.472 177.802 176.300 0.049 0.000 1.143 243 D CA 1.117 55.156 54.000 0.066 0.000 0.871 243 D CB 0.483 41.324 40.800 0.068 0.000 1.190 243 D HN 0.599 nan 8.370 nan 0.000 0.459 244 E N 1.368 121.585 120.200 0.028 0.000 2.279 244 E HA -0.314 3.996 4.350 -0.068 0.000 0.205 244 E C 1.183 177.793 176.600 0.016 0.000 1.028 244 E CA 1.574 57.982 56.400 0.013 0.000 0.830 244 E CB 0.025 29.727 29.700 0.003 0.000 0.736 244 E HN 0.504 nan 8.360 nan 0.000 0.478 245 S N -0.283 115.434 115.700 0.028 0.000 2.562 245 S HA 0.039 4.468 4.470 -0.068 0.000 0.221 245 S C 0.989 175.613 174.600 0.041 0.000 0.975 245 S CA -0.273 57.944 58.200 0.028 0.000 0.918 245 S CB 0.037 63.255 63.200 0.031 0.000 0.772 245 S HN 0.235 nan 8.310 nan 0.000 0.531 246 L N 2.462 123.718 121.223 0.056 0.000 2.369 246 L HA 0.188 4.488 4.340 -0.068 0.000 0.279 246 L C 1.488 178.393 176.870 0.058 0.000 1.108 246 L CA 0.033 54.919 54.840 0.077 0.000 0.852 246 L CB 1.112 43.233 42.059 0.103 0.000 1.169 246 L HN 0.413 nan 8.230 nan 0.000 0.452 247 Q N 4.059 123.896 119.800 0.062 0.000 2.096 247 Q HA -0.071 4.228 4.340 -0.068 0.000 0.197 247 Q C -0.624 175.284 176.000 -0.153 0.000 0.964 247 Q CA 1.232 57.010 55.803 -0.042 0.000 0.838 247 Q CB 0.253 28.984 28.738 -0.012 0.000 0.906 247 Q HN 0.601 nan 8.270 nan 0.000 0.444 248 Y N 0.680 120.999 120.300 0.033 0.000 2.328 248 Y HA 0.378 4.887 4.550 -0.068 0.000 0.336 248 Y C -2.032 173.891 175.900 0.037 0.000 0.960 248 Y CA -2.868 55.250 58.100 0.030 0.000 1.134 248 Y CB 1.390 39.859 38.460 0.015 0.000 1.166 248 Y HN 0.152 nan 8.280 nan 0.000 0.464 249 P HA 0.007 nan 4.420 nan 0.000 0.269 249 P C -0.791 176.544 177.300 0.058 0.000 1.217 249 P CA -0.416 62.736 63.100 0.088 0.000 0.783 249 P CB 0.724 32.445 31.700 0.035 0.000 0.898 250 K N 0.629 121.043 120.400 0.024 0.000 2.156 250 K HA 0.342 4.621 4.320 -0.068 0.000 0.271 250 K C -0.680 175.889 176.600 -0.052 0.000 0.995 250 K CA -0.346 55.952 56.287 0.019 0.000 0.890 250 K CB 0.492 33.039 32.500 0.078 0.000 1.073 250 K HN 0.343 nan 8.250 nan 0.000 0.454 251 T N 3.072 117.580 114.554 -0.076 0.000 2.733 251 T HA 0.215 4.525 4.350 -0.068 0.000 0.294 251 T C -0.470 174.116 174.700 -0.190 0.000 0.956 251 T CA -0.660 61.360 62.100 -0.134 0.000 0.987 251 T CB 0.942 69.747 68.868 -0.106 0.000 0.920 251 T HN 0.243 nan 8.240 nan 0.000 0.470 252 V N 5.416 125.120 119.914 -0.349 0.000 2.498 252 V HA 0.401 4.480 4.120 -0.068 0.000 0.279 252 V C 0.478 176.313 176.094 -0.432 0.000 1.048 252 V CA -0.564 61.469 62.300 -0.445 0.000 0.967 252 V CB 0.830 32.194 31.823 -0.765 0.000 0.988 252 V HN 0.719 nan 8.190 nan 0.000 0.473 253 R N 3.474 123.850 120.500 -0.207 0.000 2.480 253 R HA 0.768 5.067 4.340 -0.068 0.000 0.306 253 R C -1.644 174.652 176.300 -0.007 0.000 0.958 253 R CA -0.580 55.448 56.100 -0.119 0.000 0.861 253 R CB 2.186 32.446 30.300 -0.067 0.000 1.171 253 R HN 0.533 nan 8.270 nan 0.000 0.445 254 V N 3.628 123.538 119.914 -0.006 0.000 2.569 254 V HA 0.306 4.386 4.120 -0.068 0.000 0.301 254 V C -2.458 173.682 176.094 0.078 0.000 1.044 254 V CA -2.429 59.921 62.300 0.083 0.000 0.874 254 V CB 2.096 33.918 31.823 -0.001 0.000 1.002 254 V HN 0.638 nan 8.190 nan 0.000 0.424 255 P HA 0.134 nan 4.420 nan 0.000 0.260 255 P C -1.234 176.161 177.300 0.157 0.000 1.207 255 P CA 0.555 63.753 63.100 0.163 0.000 0.780 255 P CB -0.255 31.585 31.700 0.234 0.000 0.789 256 Y N 6.314 126.589 120.300 -0.043 0.000 2.301 256 Y HA 0.372 4.881 4.550 -0.069 0.000 0.325 256 Y C -2.638 173.233 175.900 -0.048 0.000 1.103 256 Y CA -2.797 55.225 58.100 -0.130 0.000 1.182 256 Y CB 2.058 40.330 38.460 -0.312 0.000 1.139 256 Y HN 0.291 nan 8.280 nan 0.000 0.443 257 P HA 0.231 nan 4.420 nan 0.000 0.286 257 P C -1.125 176.243 177.300 0.114 0.000 1.321 257 P CA -0.197 62.953 63.100 0.085 0.000 0.790 257 P CB 1.253 32.983 31.700 0.050 0.000 0.897 258 K N 2.029 122.573 120.400 0.241 0.000 2.138 258 K HA 0.472 4.751 4.320 -0.068 0.000 0.251 258 K C 0.547 177.258 176.600 0.186 0.000 1.015 258 K CA -0.690 55.758 56.287 0.268 0.000 0.917 258 K CB 0.522 33.193 32.500 0.284 0.000 1.021 258 K HN 0.441 nan 8.250 nan 0.000 0.485 259 A N 1.276 124.234 122.820 0.230 0.000 2.558 259 A HA 0.203 4.483 4.320 -0.068 0.000 0.262 259 A C 1.214 178.851 177.584 0.088 0.000 1.049 259 A CA 1.186 53.347 52.037 0.207 0.000 0.804 259 A CB -1.463 17.760 19.000 0.371 0.000 0.957 259 A HN 0.931 nan 8.150 nan 0.000 0.520 260 G N 1.115 109.953 108.800 0.062 0.000 2.234 260 G HA2 0.145 4.065 3.960 -0.068 0.000 0.235 260 G HA3 0.145 4.065 3.960 -0.068 0.000 0.235 260 G C 0.738 175.657 174.900 0.032 0.000 0.997 260 G CA 0.560 45.668 45.100 0.013 0.000 0.623 260 G HN 2.194 nan 8.290 nan 0.000 0.514 261 A N 0.071 122.928 122.820 0.061 0.000 2.346 261 A HA 0.647 4.926 4.320 -0.068 0.000 0.255 261 A C 0.992 178.613 177.584 0.061 0.000 1.113 261 A CA 0.526 52.602 52.037 0.064 0.000 0.798 261 A CB 0.351 19.404 19.000 0.089 0.000 1.073 261 A HN 1.214 nan 8.150 nan 0.000 0.502 262 V N 2.531 122.481 119.914 0.061 0.000 2.485 262 V HA -0.004 4.076 4.120 -0.068 0.000 0.287 262 V C 0.507 176.651 176.094 0.084 0.000 1.022 262 V CA -0.071 62.266 62.300 0.062 0.000 1.067 262 V CB -0.401 31.457 31.823 0.059 0.000 0.967 262 V HN 0.793 nan 8.190 nan 0.000 0.479 263 N N 6.652 125.402 118.700 0.084 0.000 2.483 263 N HA 0.381 5.080 4.740 -0.068 0.000 0.269 263 N C -2.277 173.324 175.510 0.152 0.000 1.209 263 N CA -1.405 51.720 53.050 0.126 0.000 0.969 263 N CB 0.803 39.364 38.487 0.124 0.000 1.173 263 N HN 0.408 nan 8.380 nan 0.000 0.475 264 P HA 0.094 nan 4.420 nan 0.000 0.274 264 P C -0.488 176.972 177.300 0.266 0.000 1.231 264 P CA -0.185 63.080 63.100 0.273 0.000 0.790 264 P CB 0.332 32.253 31.700 0.369 0.000 0.951 265 T N -1.282 113.398 114.554 0.210 0.000 2.934 265 T HA 0.525 4.835 4.350 -0.068 0.000 0.283 265 T C -0.199 174.600 174.700 0.165 0.000 1.005 265 T CA -0.823 61.355 62.100 0.129 0.000 1.041 265 T CB 1.415 70.325 68.868 0.069 0.000 1.042 265 T HN 0.300 nan 8.240 nan 0.000 0.505 266 V N 1.014 120.987 119.914 0.099 0.000 2.656 266 V HA 0.681 4.760 4.120 -0.068 0.000 0.307 266 V C -1.223 174.909 176.094 0.063 0.000 1.051 266 V CA -0.825 61.482 62.300 0.013 0.000 0.893 266 V CB 1.843 33.712 31.823 0.076 0.000 0.999 266 V HN 0.999 nan 8.190 nan 0.000 0.426 267 K N 5.059 125.422 120.400 -0.062 0.000 2.375 267 K HA 0.568 4.848 4.320 -0.068 0.000 0.249 267 K C -1.770 174.673 176.600 -0.262 0.000 0.942 267 K CA -0.506 55.711 56.287 -0.118 0.000 0.806 267 K CB 2.810 35.219 32.500 -0.152 0.000 1.227 267 K HN 0.569 nan 8.250 nan 0.000 0.430 268 F N 2.179 121.780 119.950 -0.583 0.000 2.532 268 F HA 0.580 5.066 4.527 -0.068 0.000 0.321 268 F C -1.345 173.842 175.800 -1.021 0.000 1.089 268 F CA -0.625 57.008 58.000 -0.611 0.000 0.926 268 F CB 0.922 39.720 39.000 -0.336 0.000 1.168 268 F HN 0.401 nan 8.300 nan 0.000 0.459 269 F N 3.320 122.512 119.950 -1.263 0.000 2.629 269 F HA 0.772 5.259 4.527 -0.068 0.000 0.316 269 F C -1.020 174.184 175.800 -0.994 0.000 1.081 269 F CA -1.181 56.213 58.000 -1.011 0.000 0.954 269 F CB 2.067 40.338 39.000 -1.215 0.000 1.337 269 F HN 0.129 nan 8.300 nan 0.000 0.474 270 V N 2.055 121.802 119.914 -0.278 0.000 2.760 270 V HA 0.654 4.733 4.120 -0.068 0.000 0.309 270 V C -1.287 174.906 176.094 0.165 0.000 1.077 270 V CA -0.850 61.362 62.300 -0.147 0.000 0.910 270 V CB 2.024 33.540 31.823 -0.511 0.000 1.008 270 V HN 0.612 nan 8.190 nan 0.000 0.424 271 V N 3.808 123.894 119.914 0.288 0.000 2.656 271 V HA 0.602 4.681 4.120 -0.068 0.000 0.307 271 V C -0.534 175.820 176.094 0.434 0.000 1.051 271 V CA -0.577 61.919 62.300 0.326 0.000 0.893 271 V CB 2.128 34.077 31.823 0.210 0.000 0.999 271 V HN 0.937 nan 8.190 nan 0.000 0.426 272 N N 3.701 122.652 118.700 0.418 0.000 2.402 272 N HA 0.145 4.844 4.740 -0.068 0.000 0.252 272 N C 1.071 176.619 175.510 0.063 0.000 1.118 272 N CA 0.596 53.780 53.050 0.222 0.000 0.945 272 N CB 1.552 40.155 38.487 0.194 0.000 1.147 272 N HN 0.908 nan 8.380 nan 0.000 0.495 273 T N -0.578 113.996 114.554 0.034 0.000 3.160 273 T HA 0.046 4.355 4.350 -0.068 0.000 0.257 273 T C 0.484 175.175 174.700 -0.016 0.000 1.147 273 T CA 0.503 62.632 62.100 0.048 0.000 1.064 273 T CB 0.150 69.141 68.868 0.204 0.000 0.949 273 T HN 0.282 nan 8.240 nan 0.000 0.526 274 D N 1.640 122.000 120.400 -0.068 0.000 2.367 274 D HA 0.071 4.670 4.640 -0.068 0.000 0.207 274 D C 1.702 177.960 176.300 -0.070 0.000 1.034 274 D CA 0.687 54.642 54.000 -0.075 0.000 0.861 274 D CB 0.299 41.033 40.800 -0.110 0.000 0.943 274 D HN 0.648 nan 8.370 nan 0.000 0.515 275 S N -0.253 115.410 115.700 -0.062 0.000 2.568 275 S HA 0.177 4.607 4.470 -0.068 0.000 0.232 275 S C 0.547 175.095 174.600 -0.087 0.000 0.975 275 S CA -0.533 57.641 58.200 -0.043 0.000 0.949 275 S CB 0.259 63.467 63.200 0.013 0.000 0.829 275 S HN -0.126 nan 8.310 nan 0.000 0.479 276 L N 3.639 124.750 121.223 -0.186 0.000 2.461 276 L HA 0.484 4.783 4.340 -0.068 0.000 0.272 276 L C 0.617 177.257 176.870 -0.384 0.000 1.197 276 L CA 0.542 55.163 54.840 -0.365 0.000 0.836 276 L CB 0.743 42.369 42.059 -0.722 0.000 1.105 276 L HN 0.550 nan 8.230 nan 0.000 0.477 277 S N -0.775 114.754 115.700 -0.284 0.000 2.546 277 S HA 0.423 4.853 4.470 -0.068 0.000 0.274 277 S C 0.257 174.912 174.600 0.091 0.000 1.121 277 S CA -0.106 58.044 58.200 -0.084 0.000 0.887 277 S CB 1.547 64.741 63.200 -0.009 0.000 1.094 277 S HN 0.540 nan 8.310 nan 0.000 0.474 278 S N 1.153 117.008 115.700 0.257 0.000 2.786 278 S HA 0.161 4.591 4.470 -0.068 0.000 0.223 278 S C 0.759 175.459 174.600 0.167 0.000 0.956 278 S CA 0.120 58.498 58.200 0.298 0.000 0.961 278 S CB -0.378 62.982 63.200 0.267 0.000 0.784 278 S HN 0.644 nan 8.310 nan 0.000 0.519 279 V N 0.856 120.841 119.914 0.119 0.000 3.137 279 V HA 0.193 4.273 4.120 -0.068 0.000 0.236 279 V C 1.236 177.366 176.094 0.060 0.000 1.260 279 V CA 1.174 63.522 62.300 0.079 0.000 1.244 279 V CB 0.561 32.419 31.823 0.058 0.000 1.016 279 V HN 0.753 nan 8.190 nan 0.000 0.477 280 T N -0.688 113.897 114.554 0.052 0.000 2.929 280 T HA 0.391 4.700 4.350 -0.068 0.000 0.284 280 T C -0.154 174.579 174.700 0.055 0.000 1.014 280 T CA -0.581 61.539 62.100 0.033 0.000 1.051 280 T CB 1.255 70.134 68.868 0.019 0.000 1.028 280 T HN 0.121 nan 8.240 nan 0.000 0.485 281 N N 1.439 120.161 118.700 0.036 0.000 2.492 281 N HA 0.382 5.081 4.740 -0.068 0.000 0.260 281 N C 0.223 175.777 175.510 0.073 0.000 1.215 281 N CA -0.103 52.996 53.050 0.081 0.000 0.923 281 N CB 0.808 39.284 38.487 -0.018 0.000 1.092 281 N HN 0.985 nan 8.380 nan 0.000 0.448 282 A N 1.263 124.145 122.820 0.103 0.000 2.511 282 A HA 0.162 4.441 4.320 -0.068 0.000 0.242 282 A C 0.645 178.268 177.584 0.064 0.000 1.069 282 A CA 0.001 52.072 52.037 0.057 0.000 0.763 282 A CB -0.035 18.986 19.000 0.034 0.000 1.001 282 A HN 0.545 nan 8.150 nan 0.000 0.498 283 T N 1.872 116.469 114.554 0.072 0.000 2.753 283 T HA 0.478 4.787 4.350 -0.068 0.000 0.297 283 T C -0.193 174.585 174.700 0.130 0.000 0.981 283 T CA -0.410 61.744 62.100 0.090 0.000 0.956 283 T CB -0.283 68.642 68.868 0.095 0.000 0.936 283 T HN 0.539 nan 8.240 nan 0.000 0.463 284 S N 6.669 122.433 115.700 0.106 0.000 2.420 284 S HA 0.434 4.864 4.470 -0.068 0.000 0.313 284 S C 0.163 174.905 174.600 0.237 0.000 1.079 284 S CA -0.935 57.351 58.200 0.143 0.000 1.104 284 S CB 0.255 63.448 63.200 -0.012 0.000 0.969 284 S HN 0.670 nan 8.310 nan 0.000 0.471 285 I N 3.307 124.041 120.570 0.273 0.000 2.452 285 I HA 0.153 4.283 4.170 -0.068 0.000 0.287 285 I C 0.764 177.019 176.117 0.230 0.000 1.079 285 I CA 0.022 61.490 61.300 0.280 0.000 1.387 285 I CB 0.173 38.401 38.000 0.381 0.000 1.404 285 I HN 0.705 nan 8.210 nan 0.000 0.522 286 Q N 6.389 126.307 119.800 0.197 0.000 2.286 286 Q HA 0.396 4.695 4.340 -0.068 0.000 0.257 286 Q C -0.899 175.061 176.000 -0.066 0.000 0.941 286 Q CA -0.342 55.414 55.803 -0.078 0.000 0.912 286 Q CB 0.919 29.600 28.738 -0.095 0.000 1.192 286 Q HN 0.541 nan 8.270 nan 0.000 0.410 287 I N 4.380 124.883 120.570 -0.112 0.000 2.312 287 I HA 0.200 4.329 4.170 -0.068 0.000 0.290 287 I C 0.431 176.529 176.117 -0.032 0.000 1.008 287 I CA -0.623 60.668 61.300 -0.016 0.000 1.226 287 I CB 1.415 39.431 38.000 0.025 0.000 1.371 287 I HN 0.683 nan 8.210 nan 0.000 0.468 288 T N 3.035 117.544 114.554 -0.074 0.000 2.899 288 T HA 0.672 4.981 4.350 -0.068 0.000 0.284 288 T C 0.289 174.818 174.700 -0.285 0.000 1.004 288 T CA -0.858 61.146 62.100 -0.160 0.000 1.043 288 T CB 1.629 70.401 68.868 -0.160 0.000 1.013 288 T HN 0.590 nan 8.240 nan 0.000 0.518 289 A N 2.709 125.147 122.820 -0.636 0.000 2.332 289 A HA 0.612 4.891 4.320 -0.068 0.000 0.258 289 A C -1.910 175.236 177.584 -0.730 0.000 1.087 289 A CA -1.603 49.687 52.037 -1.244 0.000 0.802 289 A CB -0.722 17.102 19.000 -1.959 0.000 1.042 289 A HN 0.812 nan 8.150 nan 0.000 0.489 290 P HA 0.139 nan 4.420 nan 0.000 0.270 290 P C 0.699 177.792 177.300 -0.345 0.000 1.223 290 P CA 0.558 63.439 63.100 -0.365 0.000 0.785 290 P CB 0.668 32.217 31.700 -0.252 0.000 0.923 291 A N 2.050 124.737 122.820 -0.222 0.000 1.972 291 A HA -0.174 4.106 4.320 -0.068 0.000 0.219 291 A C 2.140 179.616 177.584 -0.180 0.000 1.169 291 A CA 2.159 54.084 52.037 -0.188 0.000 0.635 291 A CB -1.658 17.266 19.000 -0.127 0.000 0.810 291 A HN 0.661 nan 8.150 nan 0.000 0.446 292 S N -1.356 114.256 115.700 -0.148 0.000 2.507 292 S HA -0.022 4.408 4.470 -0.068 0.000 0.235 292 S C 1.688 176.205 174.600 -0.138 0.000 0.988 292 S CA 1.269 59.404 58.200 -0.110 0.000 0.944 292 S CB -0.233 62.964 63.200 -0.005 0.000 0.762 292 S HN 0.411 nan 8.310 nan 0.000 0.526 293 M N 0.877 120.327 119.600 -0.250 0.000 2.556 293 M HA 0.348 4.787 4.480 -0.068 0.000 0.264 293 M C 1.917 177.964 176.300 -0.421 0.000 1.163 293 M CA 0.710 55.797 55.300 -0.355 0.000 1.186 293 M CB -1.129 31.098 32.600 -0.622 0.000 1.321 293 M HN 0.315 nan 8.290 nan 0.000 0.485 294 L N -0.049 120.907 121.223 -0.446 0.000 2.450 294 L HA -0.162 4.138 4.340 -0.068 0.000 0.224 294 L C 2.225 179.024 176.870 -0.118 0.000 1.149 294 L CA 0.405 55.081 54.840 -0.273 0.000 0.816 294 L CB -0.712 41.200 42.059 -0.246 0.000 0.932 294 L HN 0.156 nan 8.230 nan 0.000 0.449 295 I N -0.517 119.980 120.570 -0.123 0.000 2.454 295 I HA -0.093 4.036 4.170 -0.068 0.000 0.254 295 I C 1.317 177.406 176.117 -0.047 0.000 1.156 295 I CA 1.067 62.318 61.300 -0.083 0.000 1.433 295 I CB -0.124 37.816 38.000 -0.100 0.000 1.082 295 I HN 0.237 nan 8.210 nan 0.000 0.432 296 G N -1.996 106.792 108.800 -0.020 0.000 2.846 296 G HA2 0.239 4.159 3.960 -0.068 0.000 0.299 296 G HA3 0.239 4.159 3.960 -0.068 0.000 0.299 296 G C -1.512 173.428 174.900 0.066 0.000 1.242 296 G CA -0.570 44.533 45.100 0.004 0.000 0.800 296 G HN -0.147 nan 8.290 nan 0.000 0.538 297 D N 1.406 121.805 120.400 -0.000 0.000 2.389 297 D HA 0.414 5.013 4.640 -0.068 0.000 0.247 297 D C 0.165 176.403 176.300 -0.103 0.000 1.128 297 D CA 0.574 54.524 54.000 -0.084 0.000 0.884 297 D CB 0.588 41.305 40.800 -0.139 0.000 1.194 297 D HN 0.533 nan 8.370 nan 0.000 0.441 298 H N -0.568 118.355 119.070 -0.245 0.000 2.990 298 H HA 0.449 4.964 4.556 -0.068 0.000 0.343 298 H C -1.345 173.832 175.328 -0.252 0.000 1.270 298 H CA -0.802 55.105 56.048 -0.235 0.000 1.118 298 H CB 0.388 30.139 29.762 -0.019 0.000 1.861 298 H HN 0.263 nan 8.280 nan 0.000 0.544 299 Y N -0.020 120.488 120.300 0.346 0.000 2.570 299 Y HA 0.408 4.918 4.550 -0.067 0.000 0.345 299 Y C -0.282 175.898 175.900 0.466 0.000 1.014 299 Y CA -1.256 57.054 58.100 0.351 0.000 1.063 299 Y CB 1.721 40.228 38.460 0.079 0.000 1.272 299 Y HN 0.456 nan 8.280 nan 0.000 0.477 300 L N 2.622 124.178 121.223 0.555 0.000 2.265 300 L HA 0.386 4.685 4.340 -0.068 0.000 0.288 300 L C 0.364 177.274 176.870 0.067 0.000 1.058 300 L CA -0.323 54.513 54.840 -0.006 0.000 0.809 300 L CB 0.400 42.348 42.059 -0.186 0.000 1.179 300 L HN 0.989 nan 8.230 nan 0.000 0.429 301 C N 1.124 120.346 119.300 -0.130 0.000 3.403 301 C HA 0.525 4.945 4.460 -0.068 0.000 0.317 301 C C 0.184 175.098 174.990 -0.126 0.000 1.346 301 C CA -0.437 58.462 59.018 -0.197 0.000 1.743 301 C CB -0.462 27.206 27.740 -0.120 0.000 2.308 301 C HN 0.825 nan 8.230 nan 0.000 0.675 302 D N 0.397 120.727 120.400 -0.118 0.000 2.878 302 D HA 0.418 5.017 4.640 -0.068 0.000 0.211 302 D C -1.723 174.340 176.300 -0.395 0.000 1.271 302 D CA 0.162 54.099 54.000 -0.105 0.000 0.845 302 D CB 2.703 43.416 40.800 -0.145 0.000 1.679 302 D HN 0.056 nan 8.370 nan 0.000 0.536 303 V N 2.518 122.127 119.914 -0.507 0.000 2.540 303 V HA 0.672 4.751 4.120 -0.068 0.000 0.302 303 V C -0.244 175.488 176.094 -0.603 0.000 1.035 303 V CA -0.370 61.383 62.300 -0.911 0.000 0.873 303 V CB 1.993 32.714 31.823 -1.837 0.000 0.992 303 V HN 0.653 nan 8.190 nan 0.000 0.428 304 T N 3.106 117.365 114.554 -0.492 0.000 3.143 304 T HA 0.306 4.616 4.350 -0.068 0.000 0.312 304 T C -0.985 173.587 174.700 -0.214 0.000 0.986 304 T CA -0.491 61.489 62.100 -0.201 0.000 1.024 304 T CB 0.722 69.552 68.868 -0.062 0.000 1.030 304 T HN 0.531 nan 8.240 nan 0.000 0.448 305 W N 2.358 123.630 121.300 -0.047 0.000 2.308 305 W HA 0.457 5.075 4.660 -0.068 0.000 0.324 305 W C 1.222 177.694 176.519 -0.079 0.000 1.387 305 W CA -0.349 56.975 57.345 -0.035 0.000 1.250 305 W CB 0.492 30.001 29.460 0.081 0.000 1.257 305 W HN 0.892 nan 8.180 nan 0.000 0.554 306 A N 2.520 125.284 122.820 -0.093 0.000 1.887 306 A HA 0.129 4.408 4.320 -0.068 0.000 0.212 306 A C 1.048 178.617 177.584 -0.024 0.000 1.198 306 A CA 1.668 53.432 52.037 -0.453 0.000 0.628 306 A CB -0.384 17.827 19.000 -1.315 0.000 0.847 306 A HN 0.538 nan 8.150 nan 0.000 0.449 307 T N -5.808 108.823 114.554 0.129 0.000 2.654 307 T HA 0.341 4.651 4.350 -0.068 0.000 0.289 307 T C 0.239 175.121 174.700 0.304 0.000 1.062 307 T CA -0.361 61.852 62.100 0.189 0.000 1.041 307 T CB 0.638 69.592 68.868 0.143 0.000 1.417 307 T HN -0.015 nan 8.240 nan 0.000 0.510 308 Q N 0.330 120.265 119.800 0.226 0.000 2.226 308 Q HA 0.005 4.305 4.340 -0.068 0.000 0.204 308 Q C 0.902 177.159 176.000 0.428 0.000 0.975 308 Q CA 1.502 57.436 55.803 0.218 0.000 0.866 308 Q CB -0.084 28.736 28.738 0.136 0.000 0.915 308 Q HN 0.802 nan 8.270 nan 0.000 0.440 309 E N -0.176 120.286 120.200 0.437 0.000 2.758 309 E HA 0.189 4.499 4.350 -0.068 0.000 0.215 309 E C -0.227 176.653 176.600 0.467 0.000 0.985 309 E CA -0.171 56.505 56.400 0.460 0.000 1.102 309 E CB 0.994 30.853 29.700 0.266 0.000 1.042 309 E HN -0.020 nan 8.360 nan 0.000 0.480 310 R N 1.591 122.393 120.500 0.504 0.000 2.533 310 R HA 0.489 4.788 4.340 -0.068 0.000 0.288 310 R C -1.775 174.565 176.300 0.068 0.000 1.039 310 R CA -0.409 55.847 56.100 0.261 0.000 0.909 310 R CB 1.358 31.691 30.300 0.054 0.000 1.195 310 R HN 0.052 nan 8.270 nan 0.000 0.438 311 I N 3.272 123.714 120.570 -0.213 0.000 2.608 311 I HA 0.428 4.558 4.170 -0.068 0.000 0.295 311 I C -0.953 174.859 176.117 -0.508 0.000 1.049 311 I CA -0.584 60.322 61.300 -0.657 0.000 1.063 311 I CB 2.323 39.493 38.000 -1.383 0.000 1.248 311 I HN 0.859 nan 8.210 nan 0.000 0.424 312 S N 7.326 122.728 115.700 -0.497 0.000 2.449 312 S HA 0.717 5.146 4.470 -0.068 0.000 0.310 312 S C -0.999 173.305 174.600 -0.493 0.000 1.096 312 S CA -0.757 57.225 58.200 -0.363 0.000 1.095 312 S CB 1.669 64.788 63.200 -0.135 0.000 1.007 312 S HN 0.404 nan 8.310 nan 0.000 0.474 313 L N 2.545 123.484 121.223 -0.474 0.000 2.346 313 L HA 0.542 4.842 4.340 -0.068 0.000 0.274 313 L C -0.021 176.565 176.870 -0.472 0.000 1.007 313 L CA -0.152 54.305 54.840 -0.639 0.000 0.818 313 L CB 1.830 43.458 42.059 -0.717 0.000 1.284 313 L HN 0.780 nan 8.230 nan 0.000 0.424 314 Q N 1.903 121.375 119.800 -0.546 0.000 2.333 314 Q HA 0.492 4.791 4.340 -0.068 0.000 0.267 314 Q C -1.653 174.105 176.000 -0.403 0.000 1.012 314 Q CA -0.525 55.079 55.803 -0.331 0.000 0.824 314 Q CB 2.207 30.808 28.738 -0.229 0.000 1.290 314 Q HN 0.491 nan 8.270 nan 0.000 0.449 315 W N 2.151 123.405 121.300 -0.076 0.000 2.799 315 W HA 0.692 5.312 4.660 -0.067 0.000 0.349 315 W C -0.782 175.761 176.519 0.040 0.000 1.100 315 W CA -0.541 56.805 57.345 0.002 0.000 1.174 315 W CB 1.332 30.774 29.460 -0.030 0.000 1.427 315 W HN 0.311 nan 8.180 nan 0.000 0.547 316 L N 2.156 123.610 121.223 0.384 0.000 2.431 316 L HA 0.534 4.834 4.340 -0.068 0.000 0.266 316 L C -0.017 177.021 176.870 0.280 0.000 0.978 316 L CA -1.180 53.835 54.840 0.291 0.000 0.822 316 L CB 1.961 44.193 42.059 0.289 0.000 1.310 316 L HN 0.461 nan 8.230 nan 0.000 0.409 317 R N 1.680 122.313 120.500 0.221 0.000 2.582 317 R HA 0.194 4.493 4.340 -0.068 0.000 0.271 317 R C 0.967 177.302 176.300 0.059 0.000 1.078 317 R CA -0.214 55.962 56.100 0.127 0.000 1.127 317 R CB 0.934 31.307 30.300 0.121 0.000 1.038 317 R HN 0.566 nan 8.270 nan 0.000 0.500 318 R N 1.702 122.152 120.500 -0.083 0.000 2.096 318 R HA -0.064 4.235 4.340 -0.068 0.000 0.235 318 R C 0.269 176.602 176.300 0.055 0.000 1.127 318 R CA 1.198 57.237 56.100 -0.102 0.000 0.968 318 R CB -0.037 30.161 30.300 -0.169 0.000 0.861 318 R HN 0.489 nan 8.270 nan 0.000 0.440 319 I N 2.320 122.912 120.570 0.037 0.000 2.406 319 I HA -0.018 4.111 4.170 -0.068 0.000 0.293 319 I C 0.458 176.625 176.117 0.083 0.000 1.101 319 I CA 0.386 61.715 61.300 0.048 0.000 1.334 319 I CB 1.313 39.329 38.000 0.028 0.000 1.421 319 I HN 0.169 nan 8.210 nan 0.000 0.513 320 Q N 4.861 124.711 119.800 0.084 0.000 2.292 320 Q HA -0.002 4.298 4.340 -0.068 0.000 0.247 320 Q C 0.659 176.734 176.000 0.126 0.000 0.911 320 Q CA -0.082 55.788 55.803 0.113 0.000 0.948 320 Q CB -0.254 28.521 28.738 0.062 0.000 1.093 320 Q HN 0.662 nan 8.270 nan 0.000 0.428 321 N N -0.671 118.105 118.700 0.126 0.000 2.230 321 N HA -0.058 4.642 4.740 -0.068 0.000 0.202 321 N C -0.911 174.707 175.510 0.180 0.000 1.119 321 N CA -0.065 53.055 53.050 0.117 0.000 0.851 321 N CB 0.295 38.827 38.487 0.075 0.000 0.990 321 N HN 0.195 nan 8.380 nan 0.000 0.497 322 Y N 0.955 121.279 120.300 0.040 0.000 2.401 322 Y HA 0.505 5.014 4.550 -0.068 0.000 0.330 322 Y C -1.251 174.683 175.900 0.056 0.000 1.071 322 Y CA -0.901 57.221 58.100 0.037 0.000 1.049 322 Y CB 1.502 39.974 38.460 0.021 0.000 1.239 322 Y HN 0.144 nan 8.280 nan 0.000 0.437 323 S N 4.096 119.647 115.700 -0.247 0.000 2.569 323 S HA 0.888 5.317 4.470 -0.068 0.000 0.280 323 S C -1.963 172.498 174.600 -0.232 0.000 1.111 323 S CA -0.804 57.328 58.200 -0.113 0.000 0.887 323 S CB 1.923 65.106 63.200 -0.029 0.000 1.095 323 S HN 0.453 nan 8.310 nan 0.000 0.476 324 V N 3.210 123.099 119.914 -0.041 0.000 2.483 324 V HA 0.463 4.542 4.120 -0.068 0.000 0.297 324 V C -0.371 175.756 176.094 0.055 0.000 1.027 324 V CA -0.584 61.703 62.300 -0.021 0.000 0.855 324 V CB 1.627 33.465 31.823 0.025 0.000 0.995 324 V HN 1.032 nan 8.190 nan 0.000 0.424 325 M N 4.196 123.793 119.600 -0.004 0.000 2.108 325 M HA 0.416 4.856 4.480 -0.068 0.000 0.354 325 M C -0.947 175.363 176.300 0.016 0.000 1.229 325 M CA -0.124 55.154 55.300 -0.037 0.000 1.081 325 M CB 0.655 33.174 32.600 -0.136 0.000 1.606 325 M HN 0.580 nan 8.290 nan 0.000 0.467 326 D N 5.230 125.634 120.400 0.008 0.000 2.185 326 D HA 0.519 5.119 4.640 -0.068 0.000 0.247 326 D C -1.015 175.253 176.300 -0.053 0.000 1.027 326 D CA -0.076 53.928 54.000 0.007 0.000 0.861 326 D CB 1.688 42.519 40.800 0.052 0.000 1.202 326 D HN 0.566 nan 8.370 nan 0.000 0.453 327 I N 2.271 122.832 120.570 -0.015 0.000 2.410 327 I HA 0.283 4.413 4.170 -0.068 0.000 0.286 327 I C -0.640 175.468 176.117 -0.015 0.000 1.009 327 I CA -0.516 60.764 61.300 -0.034 0.000 1.111 327 I CB 1.303 39.331 38.000 0.047 0.000 1.262 327 I HN 0.197 nan 8.210 nan 0.000 0.443 328 c N 3.756 122.339 118.600 -0.029 0.000 2.379 328 c HA 0.554 5.084 4.570 -0.068 0.000 0.323 328 c C -0.448 173.773 174.090 0.219 0.000 1.262 328 c CA -0.845 55.533 56.329 0.082 0.000 1.581 328 c CB 0.982 43.538 42.510 0.077 0.000 2.221 328 c HN 0.567 nan 8.230 nan 0.000 0.497 329 D N 0.530 121.035 120.400 0.175 0.000 2.185 329 D HA 0.283 4.883 4.640 -0.068 0.000 0.247 329 D C -0.594 175.622 176.300 -0.140 0.000 1.027 329 D CA -0.213 53.843 54.000 0.094 0.000 0.861 329 D CB 0.926 41.736 40.800 0.017 0.000 1.202 329 D HN 0.597 nan 8.370 nan 0.000 0.453 330 Y N 1.912 121.777 120.300 -0.725 0.000 2.465 330 Y HA 0.081 4.590 4.550 -0.067 0.000 0.331 330 Y C 0.177 175.742 175.900 -0.558 0.000 1.102 330 Y CA 0.133 57.449 58.100 -1.307 0.000 1.358 330 Y CB 0.513 38.100 38.460 -1.455 0.000 1.213 330 Y HN 0.218 nan 8.280 nan 0.000 0.525 331 D N 5.895 125.692 120.400 -1.005 0.000 2.249 331 D HA 0.030 4.629 4.640 -0.068 0.000 0.246 331 D C 0.472 176.256 176.300 -0.860 0.000 1.114 331 D CA -0.122 53.477 54.000 -0.669 0.000 0.854 331 D CB 1.232 41.781 40.800 -0.419 0.000 1.132 331 D HN 0.760 nan 8.370 nan 0.000 0.461 332 E N 1.726 121.666 120.200 -0.432 0.000 2.017 332 E HA -0.161 4.149 4.350 -0.068 0.000 0.193 332 E C 1.929 178.426 176.600 -0.173 0.000 0.997 332 E CA 1.288 57.553 56.400 -0.225 0.000 0.804 332 E CB -0.137 29.528 29.700 -0.058 0.000 0.757 332 E HN 0.619 nan 8.360 nan 0.000 0.448 333 S N 0.414 116.030 115.700 -0.140 0.000 2.402 333 S HA -0.096 4.334 4.470 -0.068 0.000 0.229 333 S C 2.159 176.707 174.600 -0.088 0.000 1.021 333 S CA 1.537 59.687 58.200 -0.084 0.000 0.974 333 S CB -0.168 62.994 63.200 -0.064 0.000 0.800 333 S HN 0.208 nan 8.310 nan 0.000 0.484 334 S N 0.225 115.838 115.700 -0.145 0.000 2.475 334 S HA 0.484 4.913 4.470 -0.068 0.000 0.224 334 S C 1.635 176.167 174.600 -0.112 0.000 1.042 334 S CA 0.435 58.568 58.200 -0.111 0.000 0.935 334 S CB -0.598 62.535 63.200 -0.112 0.000 0.801 334 S HN 1.545 nan 8.310 nan 0.000 0.509 335 G N 1.948 110.588 108.800 -0.266 0.000 2.182 335 G HA2 -0.209 3.711 3.960 -0.068 0.000 0.248 335 G HA3 -0.209 3.711 3.960 -0.068 0.000 0.248 335 G C 0.000 174.839 174.900 -0.102 0.000 1.042 335 G CA 0.119 45.104 45.100 -0.192 0.000 0.775 335 G HN 0.634 nan 8.290 nan 0.000 0.501 336 R N -2.040 118.288 120.500 -0.287 0.000 3.029 336 R HA 0.750 5.050 4.340 -0.068 0.000 0.239 336 R C -0.911 175.233 176.300 -0.261 0.000 1.351 336 R CA -0.977 55.086 56.100 -0.062 0.000 1.052 336 R CB 0.954 31.268 30.300 0.022 0.000 1.354 336 R HN 0.133 nan 8.270 nan 0.000 0.499 337 W N 0.282 121.565 121.300 -0.029 0.000 2.666 337 W HA 0.398 5.018 4.660 -0.067 0.000 0.334 337 W C -0.313 176.177 176.519 -0.049 0.000 1.051 337 W CA -0.390 56.935 57.345 -0.033 0.000 1.224 337 W CB 1.299 30.747 29.460 -0.019 0.000 1.405 337 W HN 0.407 nan 8.180 nan 0.000 0.513 338 N N 1.647 120.425 118.700 0.129 0.000 2.410 338 N HA 0.481 5.181 4.740 -0.068 0.000 0.287 338 N C -1.753 173.792 175.510 0.058 0.000 1.044 338 N CA -0.485 52.600 53.050 0.058 0.000 0.881 338 N CB 0.955 39.439 38.487 -0.005 0.000 1.405 338 N HN 0.381 nan 8.380 nan 0.000 0.490 339 c N 4.401 123.022 118.600 0.035 0.000 2.206 339 c HA 0.462 4.991 4.570 -0.068 0.000 0.324 339 c C 0.202 174.291 174.090 -0.002 0.000 1.120 339 c CA -1.190 55.149 56.329 0.016 0.000 1.546 339 c CB -1.737 40.774 42.510 0.001 0.000 2.023 339 c HN 0.598 nan 8.230 nan 0.000 0.448 340 L N 2.555 123.779 121.223 0.001 0.000 2.499 340 L HA 0.027 4.326 4.340 -0.068 0.000 0.273 340 L C 1.642 178.501 176.870 -0.019 0.000 1.195 340 L CA 0.609 55.444 54.840 -0.009 0.000 0.882 340 L CB 0.422 42.479 42.059 -0.004 0.000 1.133 340 L HN 0.581 nan 8.230 nan 0.000 0.483 341 V N 3.268 123.164 119.914 -0.030 0.000 2.469 341 V HA -0.333 3.746 4.120 -0.068 0.000 0.251 341 V C 2.172 178.236 176.094 -0.050 0.000 1.064 341 V CA 2.145 64.421 62.300 -0.040 0.000 1.066 341 V CB -0.699 31.100 31.823 -0.041 0.000 0.667 341 V HN 1.034 nan 8.190 nan 0.000 0.461 342 A N -0.443 122.352 122.820 -0.042 0.000 2.216 342 A HA -0.097 4.183 4.320 -0.068 0.000 0.214 342 A C 2.121 179.665 177.584 -0.066 0.000 1.160 342 A CA 0.926 52.932 52.037 -0.051 0.000 0.725 342 A CB -0.302 18.679 19.000 -0.031 0.000 0.784 342 A HN 0.578 nan 8.150 nan 0.000 0.472 343 R N -0.478 119.996 120.500 -0.044 0.000 2.397 343 R HA 0.142 4.441 4.340 -0.068 0.000 0.241 343 R C -0.085 176.187 176.300 -0.048 0.000 0.914 343 R CA -0.190 55.906 56.100 -0.007 0.000 1.071 343 R CB 0.176 30.522 30.300 0.077 0.000 1.116 343 R HN 0.589 nan 8.270 nan 0.000 0.524 344 Q N 1.003 120.739 119.800 -0.106 0.000 2.361 344 Q HA 0.035 4.334 4.340 -0.068 0.000 0.276 344 Q C -0.828 175.014 176.000 -0.263 0.000 1.022 344 Q CA 0.790 56.539 55.803 -0.091 0.000 0.898 344 Q CB 0.597 29.294 28.738 -0.069 0.000 1.246 344 Q HN 0.192 nan 8.270 nan 0.000 0.410 345 H N 1.011 120.075 119.070 -0.010 0.000 2.609 345 H HA 0.417 4.933 4.556 -0.067 0.000 0.344 345 H C -0.861 174.430 175.328 -0.063 0.000 1.040 345 H CA -0.438 55.607 56.048 -0.005 0.000 1.216 345 H CB 1.030 30.792 29.762 -0.000 0.000 1.529 345 H HN 0.433 nan 8.280 nan 0.000 0.519 346 I N 2.257 122.840 120.570 0.023 0.000 2.359 346 I HA 0.230 4.359 4.170 -0.068 0.000 0.294 346 I C 0.014 176.089 176.117 -0.070 0.000 0.987 346 I CA -0.223 61.003 61.300 -0.122 0.000 1.225 346 I CB 1.340 39.239 38.000 -0.169 0.000 1.366 346 I HN 0.554 nan 8.210 nan 0.000 0.466 347 E N 8.070 128.180 120.200 -0.150 0.000 2.222 347 E HA 0.715 5.025 4.350 -0.068 0.000 0.267 347 E C -1.183 175.332 176.600 -0.141 0.000 0.884 347 E CA -0.772 55.584 56.400 -0.074 0.000 0.764 347 E CB 1.814 31.492 29.700 -0.036 0.000 1.169 347 E HN 0.635 nan 8.360 nan 0.000 0.413 348 M N 1.016 120.581 119.600 -0.058 0.000 2.721 348 M HA 0.581 5.021 4.480 -0.068 0.000 0.271 348 M C -1.528 174.779 176.300 0.011 0.000 1.259 348 M CA -0.854 54.436 55.300 -0.017 0.000 0.835 348 M CB 2.252 34.874 32.600 0.037 0.000 1.689 348 M HN 0.273 nan 8.290 nan 0.000 0.470 349 S N -0.586 115.125 115.700 0.017 0.000 2.541 349 S HA 0.630 5.059 4.470 -0.068 0.000 0.280 349 S C 0.161 174.756 174.600 -0.009 0.000 1.112 349 S CA 0.148 58.341 58.200 -0.013 0.000 0.925 349 S CB 1.954 65.113 63.200 -0.069 0.000 1.067 349 S HN 0.994 nan 8.310 nan 0.000 0.479 350 T N -0.473 114.073 114.554 -0.013 0.000 3.014 350 T HA 0.085 4.394 4.350 -0.068 0.000 0.250 350 T C 1.363 176.044 174.700 -0.031 0.000 1.060 350 T CA 0.930 63.023 62.100 -0.011 0.000 1.040 350 T CB -0.379 68.488 68.868 -0.001 0.000 0.971 350 T HN 0.689 nan 8.240 nan 0.000 0.497 351 T N -2.246 112.281 114.554 -0.045 0.000 3.040 351 T HA 0.636 4.945 4.350 -0.068 0.000 0.250 351 T C 1.056 175.603 174.700 -0.255 0.000 1.058 351 T CA 0.296 62.371 62.100 -0.041 0.000 0.988 351 T CB 0.511 69.427 68.868 0.079 0.000 0.993 351 T HN 0.648 nan 8.240 nan 0.000 0.519 352 G N 0.528 109.028 108.800 -0.500 0.000 2.562 352 G HA2 0.459 4.378 3.960 -0.068 0.000 0.190 352 G HA3 0.459 4.378 3.960 -0.068 0.000 0.190 352 G C -1.679 172.978 174.900 -0.405 0.000 1.196 352 G CA -0.557 44.047 45.100 -0.827 0.000 0.986 352 G HN 0.486 nan 8.290 nan 0.000 0.512 353 W N -0.098 120.927 121.300 -0.457 0.000 2.367 353 W HA 0.765 5.384 4.660 -0.068 0.000 0.369 353 W C 0.106 176.568 176.519 -0.095 0.000 1.276 353 W CA -1.055 56.160 57.345 -0.216 0.000 1.415 353 W CB 0.868 30.184 29.460 -0.240 0.000 1.306 353 W HN 0.575 nan 8.180 nan 0.000 0.669 354 V N 2.701 122.674 119.914 0.099 0.000 2.481 354 V HA 0.813 4.892 4.120 -0.068 0.000 0.286 354 V C 0.355 176.512 176.094 0.104 0.000 1.042 354 V CA 0.281 62.599 62.300 0.030 0.000 0.928 354 V CB 0.283 32.126 31.823 0.035 0.000 0.986 354 V HN 1.822 nan 8.190 nan 0.000 0.462 355 G N 5.780 114.597 108.800 0.029 0.000 2.787 355 G HA2 -0.206 3.713 3.960 -0.068 0.000 0.685 355 G HA3 -0.206 3.713 3.960 -0.068 0.000 0.685 355 G C 0.195 175.177 174.900 0.136 0.000 1.437 355 G CA 0.248 45.397 45.100 0.082 0.000 0.872 355 G HN 1.020 nan 8.290 nan 0.000 0.566 356 R N -0.352 120.220 120.500 0.121 0.000 2.073 356 R HA 0.041 4.340 4.340 -0.068 0.000 0.234 356 R C 1.843 178.131 176.300 -0.021 0.000 1.134 356 R CA 2.298 58.435 56.100 0.061 0.000 0.952 356 R CB -0.093 30.243 30.300 0.060 0.000 0.850 356 R HN 0.510 nan 8.270 nan 0.000 0.433 357 F N -1.314 118.780 119.950 0.239 0.000 2.876 357 F HA 0.256 4.743 4.527 -0.066 0.000 0.344 357 F C 0.319 176.150 175.800 0.051 0.000 1.029 357 F CA -0.535 57.548 58.000 0.139 0.000 1.154 357 F CB 0.795 39.873 39.000 0.129 0.000 1.040 357 F HN -0.115 nan 8.300 nan 0.000 0.576 358 R N -0.986 119.662 120.500 0.247 0.000 2.741 358 R HA 0.459 4.758 4.340 -0.068 0.000 0.276 358 R C -3.354 173.011 176.300 0.108 0.000 1.028 358 R CA -1.873 54.296 56.100 0.116 0.000 0.865 358 R CB 0.327 30.644 30.300 0.029 0.000 1.268 358 R HN -0.369 nan 8.270 nan 0.000 0.475 359 P HA 0.029 nan 4.420 nan 0.000 0.266 359 P C -0.402 176.918 177.300 0.033 0.000 1.195 359 P CA -0.042 63.078 63.100 0.033 0.000 0.768 359 P CB 0.900 32.593 31.700 -0.012 0.000 0.838 360 S N 1.391 117.117 115.700 0.043 0.000 2.593 360 S HA 0.109 4.539 4.470 -0.068 0.000 0.269 360 S C 0.149 174.756 174.600 0.012 0.000 1.334 360 S CA -0.571 57.668 58.200 0.065 0.000 1.015 360 S CB 0.032 63.288 63.200 0.093 0.000 0.912 360 S HN 0.474 nan 8.310 nan 0.000 0.541 361 E N 3.575 123.799 120.200 0.039 0.000 2.266 361 E HA 0.397 4.707 4.350 -0.068 0.000 0.277 361 E C -2.849 173.701 176.600 -0.082 0.000 1.018 361 E CA -2.249 54.121 56.400 -0.049 0.000 0.840 361 E CB 0.694 30.369 29.700 -0.041 0.000 1.082 361 E HN 0.246 nan 8.360 nan 0.000 0.395 362 P HA 0.237 nan 4.420 nan 0.000 0.282 362 P C -0.753 176.354 177.300 -0.321 0.000 1.249 362 P CA -0.243 62.632 63.100 -0.375 0.000 0.806 362 P CB 0.675 31.781 31.700 -0.989 0.000 0.984 363 H N 2.197 121.203 119.070 -0.106 0.000 2.638 363 H HA 0.302 4.817 4.556 -0.068 0.000 0.317 363 H C -0.277 175.102 175.328 0.085 0.000 1.006 363 H CA -0.296 55.793 56.048 0.068 0.000 1.222 363 H CB 0.451 30.306 29.762 0.156 0.000 1.419 363 H HN 0.322 nan 8.280 nan 0.000 0.489 364 F N 1.536 121.666 119.950 0.301 0.000 2.371 364 F HA 0.106 4.592 4.527 -0.068 0.000 0.329 364 F C 1.495 177.477 175.800 0.304 0.000 1.107 364 F CA -0.532 57.650 58.000 0.303 0.000 1.137 364 F CB 1.094 40.215 39.000 0.200 0.000 1.214 364 F HN 0.374 nan 8.300 nan 0.000 0.536 365 T N 0.161 115.018 114.554 0.505 0.000 2.828 365 T HA 0.147 4.456 4.350 -0.068 0.000 0.290 365 T C 1.047 175.930 174.700 0.306 0.000 1.019 365 T CA -0.786 61.535 62.100 0.369 0.000 1.031 365 T CB 0.845 69.912 68.868 0.332 0.000 1.001 365 T HN 0.593 nan 8.240 nan 0.000 0.531 366 L N 1.272 122.631 121.223 0.228 0.000 2.021 366 L HA -0.153 4.146 4.340 -0.068 0.000 0.215 366 L C 2.263 179.235 176.870 0.170 0.000 1.074 366 L CA 2.567 57.516 54.840 0.183 0.000 0.760 366 L CB -1.022 41.122 42.059 0.142 0.000 0.889 366 L HN 0.940 nan 8.230 nan 0.000 0.433 367 D N -0.936 119.563 120.400 0.166 0.000 2.310 367 D HA -0.026 4.574 4.640 -0.068 0.000 0.212 367 D C 1.620 178.012 176.300 0.153 0.000 0.965 367 D CA 0.924 55.010 54.000 0.143 0.000 0.879 367 D CB -0.692 40.184 40.800 0.127 0.000 0.921 367 D HN 0.513 nan 8.370 nan 0.000 0.510 368 G N 0.597 109.523 108.800 0.210 0.000 2.176 368 G HA2 -0.300 3.620 3.960 -0.068 0.000 0.252 368 G HA3 -0.300 3.620 3.960 -0.068 0.000 0.252 368 G C 0.620 175.666 174.900 0.243 0.000 1.024 368 G CA 0.337 45.561 45.100 0.207 0.000 0.755 368 G HN 0.378 nan 8.290 nan 0.000 0.507 369 N N -0.311 118.543 118.700 0.258 0.000 2.205 369 N HA 0.248 4.948 4.740 -0.068 0.000 0.201 369 N C 0.424 176.065 175.510 0.217 0.000 1.128 369 N CA 0.708 53.886 53.050 0.213 0.000 0.867 369 N CB 0.751 39.321 38.487 0.139 0.000 0.996 369 N HN 0.358 nan 8.380 nan 0.000 0.503 370 S N -0.130 115.746 115.700 0.294 0.000 2.595 370 S HA 0.737 5.166 4.470 -0.068 0.000 0.281 370 S C -1.305 173.446 174.600 0.251 0.000 1.117 370 S CA -0.734 57.544 58.200 0.131 0.000 0.873 370 S CB 1.602 64.920 63.200 0.196 0.000 1.108 370 S HN 0.206 nan 8.310 nan 0.000 0.477 371 F N -0.523 119.334 119.950 -0.155 0.000 2.668 371 F HA 0.761 5.248 4.527 -0.068 0.000 0.309 371 F C -2.115 173.535 175.800 -0.251 0.000 1.117 371 F CA -1.294 56.521 58.000 -0.310 0.000 0.951 371 F CB 0.680 39.096 39.000 -0.973 0.000 1.323 371 F HN 0.467 nan 8.300 nan 0.000 0.451 372 Y N 1.511 121.953 120.300 0.238 0.000 2.377 372 Y HA 0.667 5.176 4.550 -0.067 0.000 0.339 372 Y C -0.392 175.655 175.900 0.245 0.000 1.011 372 Y CA -0.727 57.499 58.100 0.210 0.000 1.093 372 Y CB 2.155 40.681 38.460 0.109 0.000 1.201 372 Y HN 0.753 nan 8.280 nan 0.000 0.455 373 K N 1.370 121.993 120.400 0.372 0.000 2.568 373 K HA 0.619 4.899 4.320 -0.068 0.000 0.273 373 K C -1.950 174.788 176.600 0.229 0.000 0.951 373 K CA -0.735 55.714 56.287 0.271 0.000 0.854 373 K CB 1.369 33.964 32.500 0.158 0.000 1.424 373 K HN 0.577 nan 8.250 nan 0.000 0.427 374 I N 4.064 124.739 120.570 0.175 0.000 2.396 374 I HA 0.309 4.439 4.170 -0.068 0.000 0.289 374 I C 0.118 176.325 176.117 0.150 0.000 1.056 374 I CA -0.327 61.061 61.300 0.147 0.000 1.365 374 I CB 0.237 38.306 38.000 0.114 0.000 1.407 374 I HN 0.645 nan 8.210 nan 0.000 0.509 375 I N 2.307 122.996 120.570 0.197 0.000 3.095 375 I HA 0.586 4.715 4.170 -0.068 0.000 0.310 375 I C -0.248 175.987 176.117 0.196 0.000 1.196 375 I CA -0.816 60.596 61.300 0.187 0.000 0.985 375 I CB 2.373 40.511 38.000 0.231 0.000 1.250 375 I HN 0.479 nan 8.210 nan 0.000 0.446 376 S N 2.372 118.122 115.700 0.083 0.000 2.523 376 S HA 0.326 4.755 4.470 -0.068 0.000 0.275 376 S C -0.069 174.535 174.600 0.008 0.000 1.281 376 S CA -0.755 57.434 58.200 -0.017 0.000 1.050 376 S CB 0.399 63.511 63.200 -0.146 0.000 0.937 376 S HN 0.824 nan 8.310 nan 0.000 0.492 377 N N 1.690 120.263 118.700 -0.211 0.000 2.322 377 N HA 0.024 4.723 4.740 -0.068 0.000 0.270 377 N C 1.238 176.603 175.510 -0.242 0.000 1.286 377 N CA -0.227 52.510 53.050 -0.523 0.000 0.948 377 N CB 0.070 37.957 38.487 -0.999 0.000 1.164 377 N HN 0.749 nan 8.380 nan 0.000 0.551 378 E N 0.022 120.080 120.200 -0.236 0.000 2.085 378 E HA -0.306 4.004 4.350 -0.068 0.000 0.194 378 E C 0.564 177.097 176.600 -0.111 0.000 0.994 378 E CA 1.818 58.142 56.400 -0.126 0.000 0.801 378 E CB -0.682 28.957 29.700 -0.102 0.000 0.743 378 E HN 0.917 nan 8.360 nan 0.000 0.453 379 E N 0.285 120.422 120.200 -0.106 0.000 2.416 379 E HA 0.224 4.534 4.350 -0.068 0.000 0.189 379 E C 0.846 177.407 176.600 -0.065 0.000 1.091 379 E CA 0.338 56.717 56.400 -0.036 0.000 0.889 379 E CB -0.333 29.384 29.700 0.028 0.000 1.015 379 E HN 0.365 nan 8.360 nan 0.000 0.479 380 G N 0.425 109.126 108.800 -0.165 0.000 2.160 380 G HA2 -0.316 3.603 3.960 -0.068 0.000 0.251 380 G HA3 -0.316 3.603 3.960 -0.068 0.000 0.251 380 G C -0.520 174.096 174.900 -0.474 0.000 1.008 380 G CA 0.391 45.299 45.100 -0.320 0.000 0.724 380 G HN 0.381 nan 8.290 nan 0.000 0.514 381 Y N -0.479 119.664 120.300 -0.262 0.000 2.387 381 Y HA 0.643 5.152 4.550 -0.068 0.000 0.336 381 Y C 1.107 176.787 175.900 -0.366 0.000 1.067 381 Y CA -1.019 56.890 58.100 -0.318 0.000 1.114 381 Y CB 1.152 39.418 38.460 -0.324 0.000 1.208 381 Y HN 0.086 nan 8.280 nan 0.000 0.458 382 R N 3.329 123.661 120.500 -0.281 0.000 2.248 382 R HA 0.293 4.593 4.340 -0.068 0.000 0.328 382 R C -0.850 175.169 176.300 -0.468 0.000 1.067 382 R CA -0.088 55.867 56.100 -0.242 0.000 0.924 382 R CB 0.127 30.341 30.300 -0.143 0.000 1.013 382 R HN 0.647 nan 8.270 nan 0.000 0.454 383 H N 1.741 120.806 119.070 -0.008 0.000 2.949 383 H HA 0.315 4.831 4.556 -0.067 0.000 0.356 383 H C -0.285 175.115 175.328 0.120 0.000 1.212 383 H CA -0.964 55.065 56.048 -0.032 0.000 1.136 383 H CB 1.551 31.222 29.762 -0.152 0.000 1.869 383 H HN 0.336 nan 8.280 nan 0.000 0.556 384 I N 1.447 122.106 120.570 0.147 0.000 2.363 384 I HA 0.022 4.151 4.170 -0.068 0.000 0.292 384 I C 0.423 176.548 176.117 0.014 0.000 1.075 384 I CA 0.180 61.515 61.300 0.059 0.000 1.333 384 I CB 0.101 38.048 38.000 -0.088 0.000 1.415 384 I HN 0.138 nan 8.210 nan 0.000 0.502 385 c N 7.061 125.621 118.600 -0.067 0.000 2.341 385 c HA 0.312 4.842 4.570 -0.068 0.000 0.338 385 c C -0.143 173.792 174.090 -0.258 0.000 1.257 385 c CA -0.585 55.457 56.329 -0.477 0.000 1.883 385 c CB 0.365 42.322 42.510 -0.922 0.000 2.334 385 c HN 0.699 nan 8.230 nan 0.000 0.524 386 Y N 5.175 125.132 120.300 -0.571 0.000 2.404 386 Y HA 0.556 5.066 4.550 -0.068 0.000 0.344 386 Y C -0.852 174.607 175.900 -0.736 0.000 0.970 386 Y CA -0.562 57.170 58.100 -0.613 0.000 1.180 386 Y CB 0.184 38.379 38.460 -0.440 0.000 1.138 386 Y HN 0.646 nan 8.280 nan 0.000 0.510 387 F N 3.822 123.054 119.950 -1.197 0.000 2.458 387 F HA 0.393 4.879 4.527 -0.068 0.000 0.330 387 F C -0.171 174.878 175.800 -1.253 0.000 1.082 387 F CA -0.842 56.400 58.000 -1.263 0.000 0.995 387 F CB 1.410 39.314 39.000 -1.827 0.000 1.170 387 F HN 0.372 nan 8.300 nan 0.000 0.478 388 Q N 3.058 122.504 119.800 -0.591 0.000 2.241 388 Q HA 0.271 4.571 4.340 -0.068 0.000 0.254 388 Q C 1.497 177.468 176.000 -0.048 0.000 0.917 388 Q CA -0.426 55.170 55.803 -0.345 0.000 0.919 388 Q CB 2.456 31.045 28.738 -0.247 0.000 1.237 388 Q HN 0.907 nan 8.270 nan 0.000 0.434 389 I N 1.762 122.383 120.570 0.084 0.000 2.182 389 I HA -0.333 3.796 4.170 -0.068 0.000 0.248 389 I C 0.192 176.504 176.117 0.325 0.000 1.073 389 I CA 2.158 63.634 61.300 0.292 0.000 1.335 389 I CB 0.328 38.470 38.000 0.237 0.000 1.031 389 I HN 0.668 nan 8.210 nan 0.000 0.420 390 D N 0.384 120.883 120.400 0.164 0.000 2.938 390 D HA 0.328 4.927 4.640 -0.068 0.000 0.369 390 D C -0.598 175.721 176.300 0.032 0.000 1.301 390 D CA -0.393 53.658 54.000 0.085 0.000 0.805 390 D CB 0.110 40.939 40.800 0.047 0.000 1.161 390 D HN 0.241 nan 8.370 nan 0.000 0.474 391 K N 0.071 120.510 120.400 0.065 0.000 2.498 391 K HA 0.332 4.611 4.320 -0.068 0.000 0.254 391 K C 0.566 177.200 176.600 0.058 0.000 0.933 391 K CA -0.882 55.413 56.287 0.013 0.000 0.806 391 K CB 2.382 34.862 32.500 -0.034 0.000 1.301 391 K HN -0.311 nan 8.250 nan 0.000 0.432 392 K N 0.556 120.952 120.400 -0.006 0.000 2.076 392 K HA 0.026 4.305 4.320 -0.068 0.000 0.204 392 K C -0.185 176.430 176.600 0.025 0.000 1.051 392 K CA 1.275 57.574 56.287 0.019 0.000 0.949 392 K CB 0.120 32.608 32.500 -0.019 0.000 0.726 392 K HN 0.589 nan 8.250 nan 0.000 0.443 393 D N 1.438 121.797 120.400 -0.067 0.000 2.295 393 D HA 0.060 4.659 4.640 -0.068 0.000 0.248 393 D C 0.284 176.388 176.300 -0.328 0.000 1.154 393 D CA -0.177 53.728 54.000 -0.158 0.000 0.857 393 D CB 0.916 41.645 40.800 -0.118 0.000 1.117 393 D HN 0.175 nan 8.370 nan 0.000 0.468 394 c N 1.182 119.435 118.600 -0.578 0.000 2.351 394 c HA 0.830 5.359 4.570 -0.068 0.000 0.359 394 c C 0.663 174.360 174.090 -0.654 0.000 1.193 394 c CA -0.792 54.990 56.329 -0.911 0.000 2.270 394 c CB 0.869 42.216 42.510 -1.939 0.000 2.369 394 c HN 0.626 nan 8.230 nan 0.000 0.553 395 T N -0.486 113.747 114.554 -0.535 0.000 2.824 395 T HA 0.606 4.916 4.350 -0.068 0.000 0.280 395 T C -0.831 173.637 174.700 -0.386 0.000 0.995 395 T CA -0.320 61.596 62.100 -0.308 0.000 1.009 395 T CB 0.610 69.435 68.868 -0.072 0.000 0.955 395 T HN 0.533 nan 8.240 nan 0.000 0.452 396 F N 3.105 122.937 119.950 -0.197 0.000 2.445 396 F HA 0.322 4.808 4.527 -0.068 0.000 0.359 396 F C 1.592 177.200 175.800 -0.319 0.000 1.101 396 F CA -1.113 56.747 58.000 -0.234 0.000 1.177 396 F CB 0.721 39.587 39.000 -0.224 0.000 1.110 396 F HN 0.687 nan 8.300 nan 0.000 0.522 397 I N -0.253 120.145 120.570 -0.285 0.000 3.645 397 I HA 0.160 4.289 4.170 -0.068 0.000 0.300 397 I C 0.355 176.236 176.117 -0.392 0.000 1.260 397 I CA 0.250 61.145 61.300 -0.675 0.000 1.365 397 I CB 0.011 37.407 38.000 -1.006 0.000 1.077 397 I HN 0.479 nan 8.210 nan 0.000 0.439 398 T N -0.634 113.761 114.554 -0.265 0.000 2.887 398 T HA 0.594 4.904 4.350 -0.068 0.000 0.288 398 T C -0.534 173.724 174.700 -0.737 0.000 1.021 398 T CA -0.791 61.119 62.100 -0.317 0.000 1.000 398 T CB 2.682 71.428 68.868 -0.203 0.000 1.034 398 T HN 0.042 nan 8.240 nan 0.000 0.467 399 K N 0.300 120.178 120.400 -0.869 0.000 2.508 399 K HA 0.798 5.077 4.320 -0.068 0.000 0.260 399 K C -0.243 175.763 176.600 -0.990 0.000 0.949 399 K CA -0.421 55.223 56.287 -1.072 0.000 0.834 399 K CB 2.186 34.396 32.500 -0.483 0.000 1.365 399 K HN 1.313 nan 8.250 nan 0.000 0.437 400 G N -0.381 107.867 108.800 -0.920 0.000 2.369 400 G HA2 -0.056 3.864 3.960 -0.068 0.000 0.307 400 G HA3 -0.056 3.864 3.960 -0.068 0.000 0.307 400 G C -0.820 173.536 174.900 -0.907 0.000 1.327 400 G CA -0.285 44.414 45.100 -0.668 0.000 0.963 400 G HN 0.435 nan 8.290 nan 0.000 0.590 401 T N -0.565 113.592 114.554 -0.661 0.000 3.540 401 T HA 0.584 4.893 4.350 -0.068 0.000 0.269 401 T C 0.124 174.599 174.700 -0.375 0.000 1.481 401 T CA 0.471 61.978 62.100 -0.989 0.000 1.224 401 T CB -0.934 67.667 68.868 -0.446 0.000 1.192 401 T HN 1.458 nan 8.240 nan 0.000 0.756 402 W N -0.410 120.659 121.300 -0.386 0.000 2.895 402 W HA 0.656 5.275 4.660 -0.068 0.000 0.377 402 W C -1.431 175.058 176.519 -0.051 0.000 1.191 402 W CA -0.980 56.322 57.345 -0.071 0.000 1.179 402 W CB 0.516 29.940 29.460 -0.059 0.000 1.469 402 W HN 0.188 nan 8.180 nan 0.000 0.577 403 E N 0.658 121.003 120.200 0.242 0.000 2.343 403 E HA 0.450 4.760 4.350 -0.068 0.000 0.270 403 E C -1.195 175.512 176.600 0.179 0.000 0.895 403 E CA -1.130 55.244 56.400 -0.043 0.000 0.767 403 E CB 3.430 33.153 29.700 0.038 0.000 1.248 403 E HN 0.153 nan 8.360 nan 0.000 0.440 404 V N 3.911 123.829 119.914 0.007 0.000 2.488 404 V HA 0.017 4.097 4.120 -0.068 0.000 0.277 404 V C 1.198 177.409 176.094 0.194 0.000 1.046 404 V CA -0.058 62.356 62.300 0.189 0.000 0.986 404 V CB 0.582 32.439 31.823 0.056 0.000 0.989 404 V HN 0.675 nan 8.190 nan 0.000 0.475 405 I N 3.187 123.906 120.570 0.248 0.000 2.339 405 I HA 0.240 4.370 4.170 -0.068 0.000 0.245 405 I C 1.141 177.397 176.117 0.233 0.000 1.096 405 I CA 1.183 62.628 61.300 0.241 0.000 1.408 405 I CB -0.885 37.210 38.000 0.158 0.000 1.092 405 I HN 0.741 nan 8.210 nan 0.000 0.423 406 G N 0.764 109.701 108.800 0.227 0.000 2.732 406 G HA2 0.548 4.467 3.960 -0.068 0.000 0.296 406 G HA3 0.548 4.467 3.960 -0.068 0.000 0.296 406 G C -1.114 173.901 174.900 0.192 0.000 1.448 406 G CA -0.558 44.668 45.100 0.210 0.000 0.911 406 G HN -0.012 nan 8.290 nan 0.000 0.528 407 I N 1.865 122.489 120.570 0.091 0.000 2.452 407 I HA 0.183 4.312 4.170 -0.068 0.000 0.287 407 I C 0.785 176.855 176.117 -0.078 0.000 1.079 407 I CA -0.322 60.930 61.300 -0.079 0.000 1.387 407 I CB 1.393 39.119 38.000 -0.457 0.000 1.404 407 I HN 0.493 nan 8.210 nan 0.000 0.522 408 E N 5.066 125.286 120.200 0.033 0.000 2.340 408 E HA 0.329 4.638 4.350 -0.068 0.000 0.198 408 E C 0.162 176.744 176.600 -0.030 0.000 0.961 408 E CA 0.191 56.661 56.400 0.118 0.000 0.905 408 E CB 0.879 30.741 29.700 0.271 0.000 0.884 408 E HN 0.685 nan 8.360 nan 0.000 0.491 409 A N 0.807 123.509 122.820 -0.196 0.000 2.589 409 A HA 0.590 4.869 4.320 -0.068 0.000 0.296 409 A C -1.941 175.568 177.584 -0.124 0.000 1.062 409 A CA -0.644 51.190 52.037 -0.338 0.000 0.686 409 A CB 1.312 19.582 19.000 -1.217 0.000 1.282 409 A HN 0.044 nan 8.150 nan 0.000 0.404 410 L N 1.902 123.095 121.223 -0.049 0.000 2.439 410 L HA 0.816 5.116 4.340 -0.068 0.000 0.270 410 L C 0.215 177.111 176.870 0.044 0.000 0.972 410 L CA 0.510 55.348 54.840 -0.003 0.000 0.836 410 L CB 1.948 44.035 42.059 0.046 0.000 1.255 410 L HN 1.191 nan 8.230 nan 0.000 0.404 411 T N -0.188 114.398 114.554 0.054 0.000 2.804 411 T HA 0.342 4.652 4.350 -0.068 0.000 0.272 411 T C 0.872 175.604 174.700 0.055 0.000 0.986 411 T CA 0.214 62.361 62.100 0.077 0.000 0.999 411 T CB 1.193 70.134 68.868 0.121 0.000 1.307 411 T HN 0.424 nan 8.240 nan 0.000 0.586 412 S N -0.539 115.194 115.700 0.056 0.000 2.382 412 S HA -0.102 4.328 4.470 -0.068 0.000 0.228 412 S C 1.166 175.746 174.600 -0.033 0.000 1.027 412 S CA 1.710 59.929 58.200 0.032 0.000 0.991 412 S CB -0.825 62.397 63.200 0.037 0.000 0.823 412 S HN 0.687 nan 8.310 nan 0.000 0.469 413 D N -1.871 118.488 120.400 -0.069 0.000 2.470 413 D HA 0.189 4.789 4.640 -0.068 0.000 0.238 413 D C -0.470 175.537 176.300 -0.488 0.000 1.054 413 D CA 0.370 54.214 54.000 -0.261 0.000 0.896 413 D CB 0.525 41.170 40.800 -0.260 0.000 1.118 413 D HN 0.364 nan 8.370 nan 0.000 0.497 414 Y N 0.208 120.425 120.300 -0.139 0.000 2.536 414 Y HA 0.495 5.005 4.550 -0.067 0.000 0.347 414 Y C -0.525 175.165 175.900 -0.351 0.000 1.000 414 Y CA -0.978 56.949 58.100 -0.288 0.000 1.051 414 Y CB 2.599 40.791 38.460 -0.447 0.000 1.259 414 Y HN -0.254 nan 8.280 nan 0.000 0.468 415 L N 2.506 123.585 121.223 -0.241 0.000 2.362 415 L HA 0.594 4.893 4.340 -0.068 0.000 0.275 415 L C -1.865 174.841 176.870 -0.274 0.000 0.998 415 L CA -0.601 54.075 54.840 -0.274 0.000 0.820 415 L CB 1.069 42.888 42.059 -0.400 0.000 1.270 415 L HN 0.603 nan 8.230 nan 0.000 0.415 416 Y N 4.666 124.902 120.300 -0.107 0.000 2.341 416 Y HA 0.559 5.068 4.550 -0.067 0.000 0.337 416 Y C -0.553 175.375 175.900 0.047 0.000 1.014 416 Y CA -0.294 57.754 58.100 -0.087 0.000 1.111 416 Y CB 1.440 39.731 38.460 -0.281 0.000 1.194 416 Y HN 0.538 nan 8.280 nan 0.000 0.462 417 Y N 0.322 120.696 120.300 0.124 0.000 2.609 417 Y HA 0.789 5.298 4.550 -0.068 0.000 0.336 417 Y C -1.869 174.136 175.900 0.175 0.000 1.129 417 Y CA -1.862 56.302 58.100 0.108 0.000 1.040 417 Y CB 1.160 39.656 38.460 0.060 0.000 1.310 417 Y HN 0.425 nan 8.280 nan 0.000 0.460 418 I N 3.280 124.004 120.570 0.257 0.000 2.441 418 I HA 0.656 4.786 4.170 -0.068 0.000 0.295 418 I C -0.400 175.887 176.117 0.283 0.000 0.994 418 I CA -0.501 60.902 61.300 0.171 0.000 1.144 418 I CB 2.026 40.091 38.000 0.109 0.000 1.314 418 I HN 0.896 nan 8.210 nan 0.000 0.445 419 S N 3.324 119.167 115.700 0.238 0.000 2.671 419 S HA 0.424 4.853 4.470 -0.068 0.000 0.277 419 S C -0.700 173.975 174.600 0.125 0.000 1.165 419 S CA -0.876 57.471 58.200 0.244 0.000 0.822 419 S CB 1.746 65.149 63.200 0.339 0.000 1.150 419 S HN 0.639 nan 8.310 nan 0.000 0.479 420 N N -0.409 118.364 118.700 0.122 0.000 2.458 420 N HA 0.189 4.889 4.740 -0.068 0.000 0.274 420 N C 0.439 175.925 175.510 -0.041 0.000 1.242 420 N CA -0.424 52.648 53.050 0.035 0.000 0.904 420 N CB 0.390 38.889 38.487 0.021 0.000 1.206 420 N HN 0.793 nan 8.380 nan 0.000 0.510 421 E N 0.139 120.162 120.200 -0.296 0.000 2.047 421 E HA -0.160 4.150 4.350 -0.068 0.000 0.191 421 E C -0.396 176.027 176.600 -0.294 0.000 0.987 421 E CA 0.165 56.114 56.400 -0.752 0.000 0.799 421 E CB -0.080 28.591 29.700 -1.715 0.000 0.752 421 E HN 0.512 nan 8.360 nan 0.000 0.449 422 Y N 1.967 122.158 120.300 -0.183 0.000 2.846 422 Y HA -0.211 4.298 4.550 -0.068 0.000 0.352 422 Y C 0.306 176.161 175.900 -0.074 0.000 1.298 422 Y CA 0.974 59.022 58.100 -0.088 0.000 1.634 422 Y CB 0.024 38.464 38.460 -0.033 0.000 1.214 422 Y HN 0.112 nan 8.280 nan 0.000 0.529 423 K N 3.224 123.347 120.400 -0.461 0.000 3.193 423 K HA -0.246 4.034 4.320 -0.068 0.000 0.294 423 K C 0.681 177.208 176.600 -0.121 0.000 1.185 423 K CA 0.757 56.839 56.287 -0.341 0.000 0.866 423 K CB -1.833 30.425 32.500 -0.404 0.000 1.227 423 K HN 1.217 nan 8.250 nan 0.000 0.467 424 G N 0.884 109.621 108.800 -0.105 0.000 2.338 424 G HA2 -0.310 3.610 3.960 -0.068 0.000 0.296 424 G HA3 -0.310 3.610 3.960 -0.068 0.000 0.296 424 G C -0.094 174.790 174.900 -0.026 0.000 1.040 424 G CA 0.773 45.856 45.100 -0.028 0.000 1.004 424 G HN 0.300 nan 8.290 nan 0.000 0.509 425 M N -0.150 119.367 119.600 -0.139 0.000 2.036 425 M HA 0.257 4.697 4.480 -0.068 0.000 0.337 425 M C -1.402 174.662 176.300 -0.394 0.000 1.012 425 M CA -2.098 52.968 55.300 -0.390 0.000 0.962 425 M CB 2.033 34.489 32.600 -0.239 0.000 1.423 425 M HN -0.106 nan 8.290 nan 0.000 0.405 426 P HA -0.096 nan 4.420 nan 0.000 0.221 426 P C 1.223 178.372 177.300 -0.251 0.000 1.145 426 P CA 1.026 63.943 63.100 -0.305 0.000 0.795 426 P CB 0.207 31.696 31.700 -0.351 0.000 0.775 427 G N -1.199 107.394 108.800 -0.345 0.000 2.985 427 G HA2 0.218 4.137 3.960 -0.068 0.000 0.209 427 G HA3 0.218 4.137 3.960 -0.068 0.000 0.209 427 G C 0.702 175.607 174.900 0.010 0.000 1.165 427 G CA 0.157 45.179 45.100 -0.131 0.000 0.776 427 G HN 0.385 nan 8.290 nan 0.000 0.541 428 G N -0.372 108.382 108.800 -0.077 0.000 2.491 428 G HA2 0.652 4.572 3.960 -0.068 0.000 0.327 428 G HA3 0.652 4.572 3.960 -0.068 0.000 0.327 428 G C -0.831 173.953 174.900 -0.194 0.000 1.189 428 G CA -0.780 44.295 45.100 -0.041 0.000 0.956 428 G HN 0.086 nan 8.290 nan 0.000 0.491 429 R N 0.424 120.784 120.500 -0.234 0.000 2.510 429 R HA 0.328 4.628 4.340 -0.068 0.000 0.287 429 R C -1.418 174.848 176.300 -0.057 0.000 1.084 429 R CA -0.744 55.194 56.100 -0.269 0.000 0.934 429 R CB 1.881 31.774 30.300 -0.677 0.000 1.201 429 R HN 0.682 nan 8.270 nan 0.000 0.431 430 N N 0.608 119.297 118.700 -0.019 0.000 2.357 430 N HA 0.467 5.167 4.740 -0.068 0.000 0.284 430 N C -1.426 173.946 175.510 -0.230 0.000 1.236 430 N CA -0.827 52.115 53.050 -0.178 0.000 0.774 430 N CB 1.825 40.087 38.487 -0.374 0.000 1.534 430 N HN 0.260 nan 8.380 nan 0.000 0.478 431 L N 1.739 122.670 121.223 -0.485 0.000 2.292 431 L HA 0.516 4.815 4.340 -0.068 0.000 0.284 431 L C -1.583 174.886 176.870 -0.668 0.000 1.065 431 L CA -0.062 54.533 54.840 -0.408 0.000 0.806 431 L CB -0.060 41.770 42.059 -0.382 0.000 1.175 431 L HN 0.520 nan 8.230 nan 0.000 0.431 432 Y N 3.577 123.538 120.300 -0.565 0.000 2.570 432 Y HA 0.539 5.048 4.550 -0.068 0.000 0.345 432 Y C -0.361 175.239 175.900 -0.499 0.000 1.014 432 Y CA -0.823 56.894 58.100 -0.639 0.000 1.063 432 Y CB 1.790 39.633 38.460 -1.029 0.000 1.272 432 Y HN 0.454 nan 8.280 nan 0.000 0.477 433 K N 3.481 123.769 120.400 -0.186 0.000 2.502 433 K HA 0.539 4.819 4.320 -0.068 0.000 0.254 433 K C -1.995 174.590 176.600 -0.025 0.000 0.947 433 K CA -0.474 55.639 56.287 -0.290 0.000 0.834 433 K CB 1.471 33.700 32.500 -0.451 0.000 1.112 433 K HN 0.831 nan 8.250 nan 0.000 0.427 434 I N 3.318 123.938 120.570 0.083 0.000 2.404 434 I HA 0.199 4.328 4.170 -0.068 0.000 0.293 434 I C -0.422 175.805 176.117 0.184 0.000 0.992 434 I CA -0.661 60.751 61.300 0.188 0.000 1.149 434 I CB 1.758 39.882 38.000 0.206 0.000 1.315 434 I HN 0.715 nan 8.210 nan 0.000 0.446 435 Q N 5.103 125.000 119.800 0.162 0.000 2.297 435 Q HA 0.102 4.401 4.340 -0.068 0.000 0.267 435 Q C 0.255 176.207 176.000 -0.082 0.000 1.006 435 Q CA -0.414 55.315 55.803 -0.123 0.000 0.896 435 Q CB 1.294 29.971 28.738 -0.102 0.000 1.186 435 Q HN 0.758 nan 8.270 nan 0.000 0.392 436 L N 2.900 124.001 121.223 -0.203 0.000 2.141 436 L HA -0.180 4.120 4.340 -0.068 0.000 0.209 436 L C 2.231 178.992 176.870 -0.182 0.000 1.094 436 L CA 1.961 56.741 54.840 -0.099 0.000 0.763 436 L CB -0.527 41.441 42.059 -0.153 0.000 0.908 436 L HN 0.764 nan 8.230 nan 0.000 0.437 437 S N -3.022 112.534 115.700 -0.240 0.000 2.528 437 S HA 0.048 4.477 4.470 -0.068 0.000 0.219 437 S C 0.614 175.029 174.600 -0.308 0.000 0.985 437 S CA -0.012 58.029 58.200 -0.265 0.000 0.914 437 S CB 0.083 63.167 63.200 -0.195 0.000 0.776 437 S HN 0.329 nan 8.310 nan 0.000 0.526 438 D N -0.006 120.242 120.400 -0.254 0.000 2.336 438 D HA 0.280 4.880 4.640 -0.068 0.000 0.248 438 D C -0.472 175.806 176.300 -0.035 0.000 1.326 438 D CA -0.593 53.296 54.000 -0.185 0.000 0.973 438 D CB 0.600 41.343 40.800 -0.094 0.000 1.255 438 D HN -0.031 nan 8.370 nan 0.000 0.558 439 Y N 1.088 121.369 120.300 -0.032 0.000 2.421 439 Y HA -0.099 4.410 4.550 -0.067 0.000 0.292 439 Y C 2.355 178.260 175.900 0.008 0.000 1.136 439 Y CA 0.934 59.025 58.100 -0.015 0.000 1.255 439 Y CB -0.755 37.694 38.460 -0.019 0.000 0.991 439 Y HN 0.331 nan 8.280 nan 0.000 0.552 440 T N -1.364 113.273 114.554 0.138 0.000 3.072 440 T HA -0.082 4.228 4.350 -0.068 0.000 0.266 440 T C 1.058 175.810 174.700 0.086 0.000 1.127 440 T CA 0.500 62.655 62.100 0.092 0.000 1.107 440 T CB -0.072 68.826 68.868 0.050 0.000 0.910 440 T HN -0.036 nan 8.240 nan 0.000 0.513 441 K N 2.301 122.757 120.400 0.093 0.000 2.265 441 K HA 0.383 4.663 4.320 -0.068 0.000 0.242 441 K C -1.322 175.356 176.600 0.130 0.000 1.137 441 K CA -0.182 56.160 56.287 0.093 0.000 1.082 441 K CB 0.002 32.546 32.500 0.074 0.000 1.731 441 K HN 0.015 nan 8.250 nan 0.000 0.392 442 V N 2.562 122.552 119.914 0.125 0.000 2.398 442 V HA 0.337 4.416 4.120 -0.068 0.000 0.286 442 V C -0.195 175.963 176.094 0.107 0.000 1.026 442 V CA -0.638 61.752 62.300 0.150 0.000 0.868 442 V CB 1.835 33.771 31.823 0.187 0.000 0.982 442 V HN 0.534 nan 8.190 nan 0.000 0.443 443 T N 3.732 118.321 114.554 0.060 0.000 2.797 443 T HA 0.250 4.560 4.350 -0.068 0.000 0.279 443 T C -0.370 174.262 174.700 -0.113 0.000 0.991 443 T CA -0.288 61.793 62.100 -0.032 0.000 0.979 443 T CB 1.273 70.083 68.868 -0.096 0.000 0.943 443 T HN 0.751 nan 8.240 nan 0.000 0.444 444 C N 5.076 124.244 119.300 -0.220 0.000 2.394 444 C HA 0.419 4.839 4.460 -0.068 0.000 0.362 444 C C 1.643 176.319 174.990 -0.524 0.000 1.268 444 C CA -0.573 58.071 59.018 -0.623 0.000 1.828 444 C CB -1.759 25.554 27.740 -0.711 0.000 2.442 444 C HN 0.987 nan 8.230 nan 0.000 0.549 445 L N 4.630 125.502 121.223 -0.585 0.000 2.509 445 L HA 0.090 4.390 4.340 -0.068 0.000 0.222 445 L C 2.068 178.620 176.870 -0.531 0.000 1.123 445 L CA 0.935 55.510 54.840 -0.442 0.000 0.856 445 L CB -0.190 41.654 42.059 -0.358 0.000 0.985 445 L HN 0.905 nan 8.230 nan 0.000 0.456 446 S N -3.475 111.798 115.700 -0.712 0.000 2.651 446 S HA -0.006 4.424 4.470 -0.068 0.000 0.259 446 S C 1.766 175.909 174.600 -0.763 0.000 1.073 446 S CA -0.147 57.517 58.200 -0.893 0.000 1.090 446 S CB -0.261 62.077 63.200 -1.436 0.000 1.042 446 S HN 0.267 nan 8.310 nan 0.000 0.581 447 C N 2.060 120.914 119.300 -0.743 0.000 2.376 447 C HA 0.000 4.420 4.460 -0.068 0.000 0.275 447 C C 2.506 177.159 174.990 -0.562 0.000 1.200 447 C CA 1.673 60.174 59.018 -0.862 0.000 1.756 447 C CB -1.058 26.003 27.740 -1.131 0.000 2.050 447 C HN 0.681 nan 8.230 nan 0.000 0.460 448 E N -0.191 119.782 120.200 -0.379 0.000 2.481 448 E HA 0.186 4.496 4.350 -0.068 0.000 0.198 448 E C 1.834 178.362 176.600 -0.120 0.000 1.027 448 E CA -0.087 56.200 56.400 -0.189 0.000 0.900 448 E CB -0.199 29.422 29.700 -0.132 0.000 0.993 448 E HN 0.532 nan 8.360 nan 0.000 0.482 449 L N 0.227 121.361 121.223 -0.148 0.000 2.013 449 L HA -0.141 4.158 4.340 -0.068 0.000 0.212 449 L C 0.976 177.844 176.870 -0.003 0.000 1.073 449 L CA 1.055 55.853 54.840 -0.069 0.000 0.753 449 L CB -0.040 41.977 42.059 -0.071 0.000 0.890 449 L HN 0.106 nan 8.230 nan 0.000 0.432 450 N N -1.615 117.103 118.700 0.030 0.000 2.716 450 N HA 0.129 4.829 4.740 -0.068 0.000 0.245 450 N C -2.017 173.518 175.510 0.042 0.000 1.495 450 N CA -0.983 52.089 53.050 0.036 0.000 0.759 450 N CB 0.851 39.365 38.487 0.045 0.000 1.261 450 N HN -0.155 nan 8.380 nan 0.000 0.515 451 P HA -0.182 nan 4.420 nan 0.000 0.218 451 P C 0.762 178.107 177.300 0.075 0.000 1.154 451 P CA 1.503 64.643 63.100 0.066 0.000 0.872 451 P CB 0.732 32.478 31.700 0.077 0.000 0.790 452 E N -0.855 119.372 120.200 0.046 0.000 2.102 452 E HA -0.077 4.233 4.350 -0.068 0.000 0.190 452 E C 2.225 178.833 176.600 0.014 0.000 0.971 452 E CA 0.426 56.847 56.400 0.035 0.000 0.821 452 E CB -0.134 29.580 29.700 0.023 0.000 0.777 452 E HN 0.230 nan 8.360 nan 0.000 0.460 453 R N -0.191 120.305 120.500 -0.008 0.000 2.276 453 R HA 0.114 4.413 4.340 -0.068 0.000 0.196 453 R C -0.046 176.214 176.300 -0.066 0.000 0.961 453 R CA 0.473 56.547 56.100 -0.044 0.000 1.024 453 R CB 0.148 30.408 30.300 -0.067 0.000 0.940 453 R HN -0.054 nan 8.270 nan 0.000 0.480 454 c N 1.158 119.733 118.600 -0.042 0.000 2.407 454 c HA 0.414 4.943 4.570 -0.068 0.000 0.328 454 c C -0.314 173.772 174.090 -0.007 0.000 1.137 454 c CA -0.590 55.667 56.329 -0.121 0.000 1.390 454 c CB 1.262 43.686 42.510 -0.143 0.000 1.989 454 c HN 0.607 nan 8.230 nan 0.000 0.432 455 Q N 0.690 120.475 119.800 -0.025 0.000 2.064 455 Q HA 0.217 4.516 4.340 -0.068 0.000 0.213 455 Q C -1.050 175.017 176.000 0.112 0.000 0.779 455 Q CA 0.055 55.917 55.803 0.098 0.000 1.032 455 Q CB 1.327 30.139 28.738 0.125 0.000 1.203 455 Q HN 0.784 nan 8.270 nan 0.000 0.457 456 Y N 0.302 120.503 120.300 -0.167 0.000 2.344 456 Y HA 0.379 4.891 4.550 -0.064 0.000 0.328 456 Y C -1.701 174.047 175.900 -0.253 0.000 1.067 456 Y CA -0.961 57.064 58.100 -0.126 0.000 1.247 456 Y CB 0.824 39.222 38.460 -0.104 0.000 1.113 456 Y HN -0.063 nan 8.280 nan 0.000 0.465 457 Y N 2.437 122.655 120.300 -0.137 0.000 2.468 457 Y HA 0.683 5.194 4.550 -0.065 0.000 0.342 457 Y C 0.103 175.953 175.900 -0.083 0.000 1.021 457 Y CA -0.521 57.525 58.100 -0.090 0.000 1.079 457 Y CB 2.318 40.694 38.460 -0.140 0.000 1.226 457 Y HN 0.524 nan 8.280 nan 0.000 0.460 458 S N 0.923 116.711 115.700 0.147 0.000 2.627 458 S HA 0.855 5.284 4.470 -0.068 0.000 0.283 458 S C -1.684 172.989 174.600 0.122 0.000 1.127 458 S CA -0.811 57.462 58.200 0.122 0.000 0.863 458 S CB 1.820 65.101 63.200 0.135 0.000 1.121 458 S HN 0.575 nan 8.310 nan 0.000 0.479 459 V N 0.341 120.322 119.914 0.112 0.000 3.040 459 V HA 0.875 4.955 4.120 -0.068 0.000 0.312 459 V C -1.083 175.078 176.094 0.112 0.000 1.115 459 V CA -0.375 61.959 62.300 0.057 0.000 0.998 459 V CB 2.365 34.125 31.823 -0.104 0.000 1.042 459 V HN 1.128 nan 8.190 nan 0.000 0.433 460 S N 4.286 120.044 115.700 0.096 0.000 2.789 460 S HA 0.638 5.068 4.470 -0.068 0.000 0.286 460 S C -1.151 173.564 174.600 0.191 0.000 1.153 460 S CA -0.389 57.967 58.200 0.260 0.000 1.084 460 S CB 0.354 63.787 63.200 0.389 0.000 1.036 460 S HN 0.488 nan 8.310 nan 0.000 0.484 461 F N 3.097 123.097 119.950 0.084 0.000 2.375 461 F HA 0.414 4.901 4.527 -0.067 0.000 0.333 461 F C 1.407 176.753 175.800 -0.757 0.000 1.104 461 F CA -0.178 57.699 58.000 -0.206 0.000 1.149 461 F CB 1.303 40.185 39.000 -0.196 0.000 1.190 461 F HN 0.606 nan 8.300 nan 0.000 0.533 462 S N 2.062 117.229 115.700 -0.888 0.000 2.608 462 S HA 0.116 4.546 4.470 -0.068 0.000 0.261 462 S C 1.288 175.673 174.600 -0.358 0.000 1.314 462 S CA -0.663 56.825 58.200 -1.187 0.000 0.992 462 S CB 0.843 63.545 63.200 -0.829 0.000 0.935 462 S HN 0.797 nan 8.310 nan 0.000 0.564 463 K N 0.284 120.587 120.400 -0.162 0.000 2.089 463 K HA -0.172 4.108 4.320 -0.068 0.000 0.210 463 K C 1.165 177.779 176.600 0.023 0.000 1.048 463 K CA 2.057 58.347 56.287 0.004 0.000 0.926 463 K CB -0.185 32.354 32.500 0.065 0.000 0.714 463 K HN 0.755 nan 8.250 nan 0.000 0.448 464 E N -1.598 118.616 120.200 0.023 0.000 2.558 464 E HA 0.231 4.540 4.350 -0.068 0.000 0.205 464 E C -0.473 176.133 176.600 0.011 0.000 1.006 464 E CA 0.458 56.880 56.400 0.037 0.000 0.961 464 E CB 0.964 30.704 29.700 0.068 0.000 1.044 464 E HN 0.350 nan 8.360 nan 0.000 0.465 465 A N 0.736 123.546 122.820 -0.016 0.000 2.872 465 A HA -0.292 3.987 4.320 -0.068 0.000 0.273 465 A C 1.557 179.171 177.584 0.049 0.000 1.442 465 A CA 1.233 53.279 52.037 0.015 0.000 0.801 465 A CB -1.597 17.254 19.000 -0.247 0.000 1.031 465 A HN 0.197 nan 8.150 nan 0.000 0.582 466 K N -1.575 118.823 120.400 -0.003 0.000 2.167 466 K HA 0.093 4.372 4.320 -0.068 0.000 0.203 466 K C 0.091 176.484 176.600 -0.344 0.000 1.052 466 K CA 1.365 57.567 56.287 -0.141 0.000 0.956 466 K CB 0.040 32.467 32.500 -0.121 0.000 0.735 466 K HN 0.701 nan 8.250 nan 0.000 0.451 467 Y N -0.800 119.495 120.300 -0.008 0.000 2.602 467 Y HA 0.300 4.810 4.550 -0.067 0.000 0.342 467 Y C -0.664 175.187 175.900 -0.082 0.000 1.029 467 Y CA -1.356 56.722 58.100 -0.038 0.000 1.080 467 Y CB 1.765 40.226 38.460 0.001 0.000 1.284 467 Y HN -0.029 nan 8.280 nan 0.000 0.485 468 Y N -1.039 119.266 120.300 0.009 0.000 2.521 468 Y HA 0.410 4.919 4.550 -0.068 0.000 0.332 468 Y C -1.342 174.605 175.900 0.079 0.000 1.121 468 Y CA -1.517 56.453 58.100 -0.216 0.000 1.037 468 Y CB 1.184 39.003 38.460 -1.068 0.000 1.330 468 Y HN 0.597 nan 8.280 nan 0.000 0.452 469 Q N 3.975 123.925 119.800 0.250 0.000 2.256 469 Q HA 0.559 4.858 4.340 -0.068 0.000 0.254 469 Q C -1.695 174.417 176.000 0.186 0.000 0.916 469 Q CA -0.644 55.248 55.803 0.147 0.000 0.932 469 Q CB 1.215 30.014 28.738 0.100 0.000 1.207 469 Q HN 0.958 nan 8.270 nan 0.000 0.426 470 L N 4.143 125.494 121.223 0.212 0.000 2.309 470 L HA 0.537 4.836 4.340 -0.068 0.000 0.282 470 L C -0.104 176.835 176.870 0.114 0.000 1.036 470 L CA -0.537 54.433 54.840 0.217 0.000 0.806 470 L CB 1.541 43.768 42.059 0.280 0.000 1.220 470 L HN 0.628 nan 8.230 nan 0.000 0.429 471 R N 2.941 123.474 120.500 0.055 0.000 2.388 471 R HA 0.365 4.664 4.340 -0.068 0.000 0.314 471 R C -1.188 174.955 176.300 -0.263 0.000 0.959 471 R CA -0.439 55.521 56.100 -0.234 0.000 0.851 471 R CB 1.380 31.584 30.300 -0.159 0.000 1.168 471 R HN 0.718 nan 8.270 nan 0.000 0.472 472 c N 3.348 121.671 118.600 -0.462 0.000 2.295 472 c HA 0.472 5.001 4.570 -0.068 0.000 0.331 472 c C 0.981 174.851 174.090 -0.366 0.000 1.280 472 c CA -0.297 55.674 56.329 -0.597 0.000 1.746 472 c CB 1.205 43.279 42.510 -0.728 0.000 2.328 472 c HN 0.996 nan 8.230 nan 0.000 0.521 473 S N 3.068 118.644 115.700 -0.208 0.000 2.499 473 S HA 0.469 4.898 4.470 -0.068 0.000 0.225 473 S C 0.765 175.328 174.600 -0.061 0.000 1.050 473 S CA 0.601 58.738 58.200 -0.105 0.000 0.928 473 S CB 0.385 63.528 63.200 -0.096 0.000 0.803 473 S HN 1.218 nan 8.310 nan 0.000 0.506 474 G N 0.680 109.437 108.800 -0.071 0.000 2.548 474 G HA2 0.441 4.361 3.960 -0.068 0.000 0.301 474 G HA3 0.441 4.361 3.960 -0.068 0.000 0.301 474 G C -3.036 171.853 174.900 -0.020 0.000 1.349 474 G CA -0.741 44.350 45.100 -0.014 0.000 0.792 474 G HN -0.167 nan 8.290 nan 0.000 0.481 475 P HA 0.170 nan 4.420 nan 0.000 0.236 475 P C 1.226 178.553 177.300 0.044 0.000 1.177 475 P CA 1.041 64.173 63.100 0.052 0.000 0.773 475 P CB 0.425 32.154 31.700 0.049 0.000 0.878 476 G N -0.050 108.713 108.800 -0.063 0.000 2.510 476 G HA2 0.379 4.298 3.960 -0.068 0.000 0.280 476 G HA3 0.379 4.298 3.960 -0.068 0.000 0.280 476 G C -0.738 173.931 174.900 -0.385 0.000 1.386 476 G CA -0.422 44.558 45.100 -0.199 0.000 1.047 476 G HN -0.071 nan 8.290 nan 0.000 0.527 477 L N 1.412 122.323 121.223 -0.519 0.000 2.525 477 L HA 0.200 4.499 4.340 -0.068 0.000 0.278 477 L C -1.682 175.038 176.870 -0.250 0.000 1.218 477 L CA -1.142 53.373 54.840 -0.542 0.000 0.878 477 L CB 0.187 42.016 42.059 -0.383 0.000 1.127 477 L HN 0.210 nan 8.230 nan 0.000 0.492 478 P HA 0.085 nan 4.420 nan 0.000 0.264 478 P C -0.975 176.292 177.300 -0.055 0.000 1.183 478 P CA -0.017 63.034 63.100 -0.081 0.000 0.763 478 P CB 0.541 32.285 31.700 0.074 0.000 0.807 479 L N 5.004 126.115 121.223 -0.187 0.000 2.436 479 L HA 0.500 4.800 4.340 -0.068 0.000 0.268 479 L C -1.744 174.999 176.870 -0.212 0.000 0.974 479 L CA -0.703 54.083 54.840 -0.090 0.000 0.826 479 L CB 1.208 43.212 42.059 -0.091 0.000 1.291 479 L HN 0.264 nan 8.230 nan 0.000 0.406 480 Y N 2.580 122.841 120.300 -0.065 0.000 2.341 480 Y HA 0.754 5.262 4.550 -0.070 0.000 0.338 480 Y C 0.229 176.022 175.900 -0.178 0.000 0.965 480 Y CA -0.549 57.496 58.100 -0.091 0.000 1.108 480 Y CB 2.344 40.743 38.460 -0.102 0.000 1.180 480 Y HN 0.669 nan 8.280 nan 0.000 0.458 481 T N 0.765 115.301 114.554 -0.030 0.000 2.900 481 T HA 0.661 4.971 4.350 -0.068 0.000 0.303 481 T C -1.648 172.858 174.700 -0.323 0.000 1.142 481 T CA -0.850 61.136 62.100 -0.190 0.000 1.007 481 T CB 1.968 70.766 68.868 -0.116 0.000 1.156 481 T HN 0.386 nan 8.240 nan 0.000 0.490 482 L N 1.760 122.660 121.223 -0.538 0.000 2.334 482 L HA 0.672 4.972 4.340 -0.068 0.000 0.273 482 L C -0.788 175.578 176.870 -0.841 0.000 1.013 482 L CA -0.319 54.230 54.840 -0.484 0.000 0.816 482 L CB 1.234 43.134 42.059 -0.264 0.000 1.278 482 L HN 0.833 nan 8.230 nan 0.000 0.431 483 H N 1.358 120.198 119.070 -0.383 0.000 2.895 483 H HA 0.329 4.844 4.556 -0.068 0.000 0.373 483 H C -1.155 173.992 175.328 -0.302 0.000 1.174 483 H CA -0.794 54.947 56.048 -0.512 0.000 1.144 483 H CB 2.166 31.274 29.762 -1.089 0.000 1.793 483 H HN 0.496 nan 8.280 nan 0.000 0.551 484 S N 0.665 116.339 115.700 -0.043 0.000 2.457 484 S HA 0.120 4.550 4.470 -0.068 0.000 0.289 484 S C 1.064 175.655 174.600 -0.014 0.000 1.163 484 S CA -0.307 57.834 58.200 -0.099 0.000 1.078 484 S CB 0.539 63.694 63.200 -0.075 0.000 0.987 484 S HN 0.689 nan 8.310 nan 0.000 0.482 485 S N 4.137 119.859 115.700 0.038 0.000 2.528 485 S HA -0.028 4.401 4.470 -0.068 0.000 0.219 485 S C 1.710 176.362 174.600 0.086 0.000 0.985 485 S CA 0.518 58.846 58.200 0.213 0.000 0.914 485 S CB -0.129 63.232 63.200 0.269 0.000 0.776 485 S HN 0.631 nan 8.310 nan 0.000 0.526 486 V N 3.626 123.541 119.914 0.000 0.000 2.343 486 V HA -0.164 3.916 4.120 -0.068 0.000 0.247 486 V C 1.679 177.775 176.094 0.004 0.000 1.051 486 V CA 2.345 64.646 62.300 0.002 0.000 1.036 486 V CB -0.620 31.185 31.823 -0.031 0.000 0.654 486 V HN 0.838 nan 8.190 nan 0.000 0.451 487 N N -1.979 116.719 118.700 -0.003 0.000 2.159 487 N HA 0.065 4.764 4.740 -0.068 0.000 0.217 487 N C -0.259 175.249 175.510 -0.003 0.000 1.223 487 N CA 0.407 53.455 53.050 -0.005 0.000 0.896 487 N CB -0.087 38.396 38.487 -0.006 0.000 1.064 487 N HN 0.481 nan 8.380 nan 0.000 0.518 488 D N 0.845 121.257 120.400 0.021 0.000 3.278 488 D HA -0.177 4.422 4.640 -0.068 0.000 0.233 488 D C -0.751 175.563 176.300 0.023 0.000 1.149 488 D CA 1.062 55.087 54.000 0.041 0.000 0.957 488 D CB -0.866 39.933 40.800 -0.002 0.000 0.913 488 D HN 0.774 nan 8.370 nan 0.000 0.409 489 K N -1.383 119.044 120.400 0.046 0.000 2.523 489 K HA 0.636 4.915 4.320 -0.068 0.000 0.257 489 K C 0.092 176.740 176.600 0.080 0.000 0.932 489 K CA -0.875 55.441 56.287 0.048 0.000 0.812 489 K CB 1.606 34.112 32.500 0.011 0.000 1.326 489 K HN 0.027 nan 8.250 nan 0.000 0.433 490 G N 2.436 111.284 108.800 0.079 0.000 2.365 490 G HA2 0.224 4.144 3.960 -0.068 0.000 0.249 490 G HA3 0.224 4.144 3.960 -0.068 0.000 0.249 490 G C 0.229 175.052 174.900 -0.128 0.000 1.288 490 G CA -0.689 44.361 45.100 -0.083 0.000 0.887 490 G HN 0.617 nan 8.290 nan 0.000 0.524 491 L N 1.819 122.916 121.223 -0.210 0.000 2.221 491 L HA 0.350 4.650 4.340 -0.068 0.000 0.202 491 L C 1.491 178.278 176.870 -0.138 0.000 1.074 491 L CA 0.532 55.294 54.840 -0.129 0.000 0.795 491 L CB -0.139 41.864 42.059 -0.094 0.000 0.960 491 L HN 0.755 nan 8.230 nan 0.000 0.458 492 R N -1.386 118.989 120.500 -0.208 0.000 2.824 492 R HA 0.286 4.585 4.340 -0.068 0.000 0.267 492 R C -1.643 174.519 176.300 -0.230 0.000 1.035 492 R CA -0.813 55.179 56.100 -0.179 0.000 0.887 492 R CB 1.125 31.343 30.300 -0.138 0.000 1.262 492 R HN -0.258 nan 8.270 nan 0.000 0.487 493 V N 3.777 123.585 119.914 -0.178 0.000 2.479 493 V HA 0.077 4.157 4.120 -0.068 0.000 0.281 493 V C 1.604 177.548 176.094 -0.250 0.000 1.031 493 V CA -0.029 62.166 62.300 -0.175 0.000 1.038 493 V CB 0.750 32.509 31.823 -0.107 0.000 0.981 493 V HN 0.645 nan 8.190 nan 0.000 0.478 494 L N 2.672 123.681 121.223 -0.355 0.000 2.127 494 L HA 0.232 4.531 4.340 -0.068 0.000 0.203 494 L C 0.838 177.426 176.870 -0.469 0.000 1.080 494 L CA 0.847 55.282 54.840 -0.676 0.000 0.768 494 L CB 0.171 41.551 42.059 -1.132 0.000 0.924 494 L HN 0.701 nan 8.230 nan 0.000 0.444 495 E N -0.338 119.748 120.200 -0.191 0.000 2.343 495 E HA 0.088 4.398 4.350 -0.068 0.000 0.288 495 E C -1.122 175.518 176.600 0.067 0.000 0.907 495 E CA -0.343 56.038 56.400 -0.032 0.000 0.792 495 E CB 1.153 30.835 29.700 -0.029 0.000 1.275 495 E HN 0.155 nan 8.360 nan 0.000 0.402 496 D N 3.025 123.443 120.400 0.029 0.000 2.469 496 D HA 0.116 4.715 4.640 -0.068 0.000 0.213 496 D C -0.370 175.941 176.300 0.018 0.000 1.135 496 D CA -0.198 53.813 54.000 0.019 0.000 0.834 496 D CB -0.039 40.754 40.800 -0.011 0.000 1.009 496 D HN 0.446 nan 8.370 nan 0.000 0.507 497 N N 0.491 119.215 118.700 0.040 0.000 2.727 497 N HA -0.203 4.496 4.740 -0.068 0.000 0.249 497 N C 0.862 176.382 175.510 0.016 0.000 1.048 497 N CA 0.918 53.990 53.050 0.037 0.000 0.714 497 N CB -1.198 37.309 38.487 0.033 0.000 0.959 497 N HN 0.518 nan 8.380 nan 0.000 0.544 498 S N -1.287 114.423 115.700 0.017 0.000 2.425 498 S HA 0.122 4.551 4.470 -0.068 0.000 0.225 498 S C 2.074 176.692 174.600 0.029 0.000 1.024 498 S CA 0.606 58.813 58.200 0.013 0.000 0.951 498 S CB 0.071 63.275 63.200 0.007 0.000 0.796 498 S HN 0.460 nan 8.310 nan 0.000 0.498 499 A N 1.805 124.649 122.820 0.039 0.000 1.940 499 A HA 0.053 4.332 4.320 -0.068 0.000 0.219 499 A C 2.206 179.835 177.584 0.075 0.000 1.176 499 A CA 1.631 53.699 52.037 0.051 0.000 0.631 499 A CB -0.811 18.218 19.000 0.049 0.000 0.814 499 A HN 0.548 nan 8.150 nan 0.000 0.446 500 L N -0.025 121.248 121.223 0.085 0.000 2.109 500 L HA -0.046 4.254 4.340 -0.068 0.000 0.207 500 L C 1.816 178.746 176.870 0.101 0.000 1.086 500 L CA 2.529 57.445 54.840 0.127 0.000 0.760 500 L CB -0.648 41.488 42.059 0.128 0.000 0.910 500 L HN 0.446 nan 8.230 nan 0.000 0.437 501 D N -0.838 119.587 120.400 0.043 0.000 2.149 501 D HA -0.207 4.393 4.640 -0.068 0.000 0.198 501 D C 1.981 178.308 176.300 0.044 0.000 0.990 501 D CA 1.143 55.152 54.000 0.015 0.000 0.839 501 D CB 0.182 40.976 40.800 -0.011 0.000 0.948 501 D HN 0.176 nan 8.370 nan 0.000 0.460 502 K N -0.008 120.427 120.400 0.058 0.000 2.009 502 K HA -0.128 4.151 4.320 -0.068 0.000 0.210 502 K C 2.276 178.935 176.600 0.099 0.000 1.049 502 K CA 1.118 57.444 56.287 0.065 0.000 0.929 502 K CB -0.575 31.960 32.500 0.058 0.000 0.714 502 K HN 0.389 nan 8.250 nan 0.000 0.440 503 M N 0.356 120.045 119.600 0.148 0.000 2.229 503 M HA -0.116 4.324 4.480 -0.068 0.000 0.264 503 M C 1.883 178.337 176.300 0.256 0.000 1.063 503 M CA 0.976 56.423 55.300 0.244 0.000 1.114 503 M CB -0.296 32.513 32.600 0.349 0.000 1.387 503 M HN -0.036 nan 8.290 nan 0.000 0.420 504 L N 0.437 121.754 121.223 0.157 0.000 2.291 504 L HA -0.097 4.203 4.340 -0.068 0.000 0.214 504 L C 2.377 179.278 176.870 0.051 0.000 1.120 504 L CA 1.577 56.447 54.840 0.050 0.000 0.799 504 L CB -1.147 40.919 42.059 0.011 0.000 0.925 504 L HN 0.381 nan 8.230 nan 0.000 0.446 505 Q N -0.601 119.241 119.800 0.070 0.000 2.135 505 Q HA -0.234 4.065 4.340 -0.068 0.000 0.204 505 Q C 1.676 177.725 176.000 0.081 0.000 0.981 505 Q CA 1.709 57.550 55.803 0.063 0.000 0.856 505 Q CB -0.020 28.755 28.738 0.060 0.000 0.902 505 Q HN 0.592 nan 8.270 nan 0.000 0.425 506 N N -1.034 117.726 118.700 0.100 0.000 2.336 506 N HA 0.067 4.766 4.740 -0.068 0.000 0.189 506 N C -1.005 174.573 175.510 0.114 0.000 1.113 506 N CA -0.373 52.746 53.050 0.116 0.000 0.858 506 N CB 0.803 39.362 38.487 0.121 0.000 0.970 506 N HN -0.094 nan 8.380 nan 0.000 0.471 507 V N 1.724 121.691 119.914 0.088 0.000 2.427 507 V HA 0.176 4.255 4.120 -0.068 0.000 0.286 507 V C -0.181 175.943 176.094 0.050 0.000 1.034 507 V CA -0.688 61.652 62.300 0.067 0.000 0.893 507 V CB 1.625 33.442 31.823 -0.009 0.000 0.982 507 V HN 0.144 nan 8.190 nan 0.000 0.452 508 Q N 4.702 124.543 119.800 0.068 0.000 2.431 508 Q HA 0.319 4.619 4.340 -0.068 0.000 0.234 508 Q C -0.389 175.609 176.000 -0.003 0.000 1.203 508 Q CA -0.132 55.695 55.803 0.039 0.000 0.902 508 Q CB 0.396 29.192 28.738 0.096 0.000 1.455 508 Q HN 0.547 nan 8.270 nan 0.000 0.515 509 M N 3.423 122.999 119.600 -0.041 0.000 2.291 509 M HA 0.416 4.855 4.480 -0.068 0.000 0.324 509 M C -2.034 174.211 176.300 -0.092 0.000 1.148 509 M CA -2.402 52.859 55.300 -0.065 0.000 1.104 509 M CB 0.171 32.738 32.600 -0.055 0.000 1.483 509 M HN 0.324 nan 8.290 nan 0.000 0.467 510 P HA 0.290 nan 4.420 nan 0.000 0.278 510 P C -0.949 176.281 177.300 -0.117 0.000 1.266 510 P CA -0.397 62.624 63.100 -0.131 0.000 0.807 510 P CB 0.642 32.250 31.700 -0.152 0.000 1.094 511 S N -0.890 114.725 115.700 -0.141 0.000 2.648 511 S HA 0.575 5.004 4.470 -0.068 0.000 0.305 511 S C -0.460 174.061 174.600 -0.133 0.000 1.094 511 S CA -0.830 57.301 58.200 -0.115 0.000 0.983 511 S CB 1.796 64.922 63.200 -0.122 0.000 1.101 511 S HN 0.434 nan 8.310 nan 0.000 0.514 512 K N 0.410 120.758 120.400 -0.086 0.000 2.164 512 K HA 0.402 4.681 4.320 -0.068 0.000 0.258 512 K C -1.198 175.359 176.600 -0.072 0.000 0.951 512 K CA -0.589 55.652 56.287 -0.078 0.000 0.844 512 K CB 1.241 33.720 32.500 -0.035 0.000 1.099 512 K HN 0.711 nan 8.250 nan 0.000 0.435 513 K N 4.922 125.280 120.400 -0.069 0.000 2.507 513 K HA 0.217 4.496 4.320 -0.068 0.000 0.253 513 K C -1.514 175.075 176.600 -0.018 0.000 0.969 513 K CA -0.736 55.524 56.287 -0.045 0.000 0.908 513 K CB 0.865 33.321 32.500 -0.073 0.000 1.127 513 K HN 0.378 nan 8.250 nan 0.000 0.437 514 L N 4.357 125.584 121.223 0.007 0.000 2.262 514 L HA 0.478 4.777 4.340 -0.068 0.000 0.288 514 L C -0.912 175.993 176.870 0.058 0.000 1.035 514 L CA 0.410 55.280 54.840 0.050 0.000 0.820 514 L CB 0.839 42.976 42.059 0.131 0.000 1.204 514 L HN 0.696 nan 8.230 nan 0.000 0.424 515 D N 3.127 123.376 120.400 -0.251 0.000 2.895 515 D HA 0.531 5.130 4.640 -0.068 0.000 0.320 515 D C -1.412 174.466 176.300 -0.704 0.000 1.249 515 D CA -0.075 53.673 54.000 -0.419 0.000 0.997 515 D CB 1.653 42.200 40.800 -0.423 0.000 1.430 515 D HN 0.220 nan 8.370 nan 0.000 0.558 516 F N -0.427 119.145 119.950 -0.630 0.000 2.664 516 F HA 0.746 5.232 4.527 -0.068 0.000 0.317 516 F C -1.008 174.845 175.800 0.089 0.000 1.108 516 F CA -1.100 56.619 58.000 -0.468 0.000 0.957 516 F CB 0.882 39.077 39.000 -1.342 0.000 1.365 516 F HN 0.259 nan 8.300 nan 0.000 0.475 517 I N 0.429 121.276 120.570 0.462 0.000 2.769 517 I HA 0.585 4.715 4.170 -0.068 0.000 0.298 517 I C -1.134 175.216 176.117 0.389 0.000 1.128 517 I CA -1.269 60.242 61.300 0.353 0.000 1.031 517 I CB 2.195 40.343 38.000 0.248 0.000 1.235 517 I HN 0.463 nan 8.210 nan 0.000 0.423 518 I N 4.915 125.653 120.570 0.280 0.000 2.474 518 I HA 0.476 4.605 4.170 -0.068 0.000 0.287 518 I C -0.507 175.748 176.117 0.231 0.000 1.048 518 I CA -0.401 61.038 61.300 0.231 0.000 1.383 518 I CB 1.035 39.130 38.000 0.158 0.000 1.412 518 I HN 0.435 nan 8.210 nan 0.000 0.531 519 L N 5.669 127.062 121.223 0.284 0.000 2.562 519 L HA 0.343 4.642 4.340 -0.068 0.000 0.266 519 L C 0.266 177.281 176.870 0.241 0.000 0.949 519 L CA -0.247 54.747 54.840 0.257 0.000 0.879 519 L CB 1.198 43.447 42.059 0.317 0.000 1.278 519 L HN 0.553 nan 8.230 nan 0.000 0.404 520 N N 2.810 121.590 118.700 0.133 0.000 2.716 520 N HA -0.238 4.462 4.740 -0.068 0.000 0.250 520 N C 0.172 175.729 175.510 0.079 0.000 1.033 520 N CA 1.237 54.343 53.050 0.092 0.000 0.727 520 N CB -0.206 38.333 38.487 0.086 0.000 0.950 520 N HN 0.875 nan 8.380 nan 0.000 0.541 521 E N -2.819 117.425 120.200 0.074 0.000 3.146 521 E HA -0.232 4.077 4.350 -0.068 0.000 0.277 521 E C -0.505 176.103 176.600 0.013 0.000 1.003 521 E CA 1.629 58.056 56.400 0.045 0.000 0.861 521 E CB -1.042 28.673 29.700 0.025 0.000 1.436 521 E HN 0.481 nan 8.360 nan 0.000 0.455 522 T N 0.635 115.202 114.554 0.021 0.000 2.837 522 T HA 0.368 4.677 4.350 -0.068 0.000 0.285 522 T C 0.186 174.773 174.700 -0.190 0.000 0.984 522 T CA -0.755 61.264 62.100 -0.135 0.000 1.049 522 T CB 1.346 70.079 68.868 -0.226 0.000 0.947 522 T HN -0.004 nan 8.240 nan 0.000 0.472 523 K N 2.024 122.241 120.400 -0.305 0.000 2.322 523 K HA 0.415 4.695 4.320 -0.068 0.000 0.283 523 K C -1.031 175.312 176.600 -0.429 0.000 1.042 523 K CA -0.057 56.059 56.287 -0.286 0.000 0.958 523 K CB 0.401 32.623 32.500 -0.464 0.000 0.984 523 K HN 0.421 nan 8.250 nan 0.000 0.473 524 F N 1.830 121.835 119.950 0.092 0.000 2.518 524 F HA 0.325 4.811 4.527 -0.068 0.000 0.323 524 F C -0.688 175.224 175.800 0.186 0.000 1.129 524 F CA -0.736 57.346 58.000 0.137 0.000 0.920 524 F CB 1.068 40.175 39.000 0.180 0.000 1.160 524 F HN 0.430 nan 8.300 nan 0.000 0.440 525 W N 3.765 125.226 121.300 0.268 0.000 2.449 525 W HA 0.570 5.189 4.660 -0.068 0.000 0.331 525 W C -0.782 175.926 176.519 0.315 0.000 1.119 525 W CA -0.681 56.824 57.345 0.267 0.000 1.240 525 W CB 0.901 30.445 29.460 0.140 0.000 1.251 525 W HN 0.432 nan 8.180 nan 0.000 0.576 526 Y N -0.238 120.410 120.300 0.579 0.000 2.588 526 Y HA 0.648 5.157 4.550 -0.069 0.000 0.343 526 Y C -0.860 175.282 175.900 0.404 0.000 1.065 526 Y CA -1.873 56.562 58.100 0.559 0.000 1.038 526 Y CB 1.173 40.114 38.460 0.800 0.000 1.297 526 Y HN 0.552 nan 8.280 nan 0.000 0.467 527 Q N 2.512 122.562 119.800 0.417 0.000 2.394 527 Q HA 0.745 5.044 4.340 -0.068 0.000 0.273 527 Q C -1.776 174.348 176.000 0.207 0.000 1.089 527 Q CA -1.143 54.795 55.803 0.226 0.000 0.812 527 Q CB 3.132 31.959 28.738 0.147 0.000 1.353 527 Q HN 0.903 nan 8.270 nan 0.000 0.438 528 M N 2.937 122.597 119.600 0.099 0.000 2.204 528 M HA 0.392 4.832 4.480 -0.068 0.000 0.293 528 M C -1.191 175.049 176.300 -0.099 0.000 0.994 528 M CA -0.850 54.438 55.300 -0.021 0.000 0.925 528 M CB 1.994 34.563 32.600 -0.052 0.000 1.577 528 M HN 0.622 nan 8.290 nan 0.000 0.439 529 I N 5.555 126.061 120.570 -0.108 0.000 2.329 529 I HA 0.232 4.361 4.170 -0.068 0.000 0.295 529 I C -0.312 175.670 176.117 -0.225 0.000 1.109 529 I CA 0.013 61.225 61.300 -0.147 0.000 1.297 529 I CB -0.385 37.544 38.000 -0.119 0.000 1.433 529 I HN 0.633 nan 8.210 nan 0.000 0.509 530 L N 8.611 129.650 121.223 -0.307 0.000 2.307 530 L HA 0.418 4.718 4.340 -0.068 0.000 0.282 530 L C -2.110 174.571 176.870 -0.315 0.000 1.051 530 L CA -1.793 52.767 54.840 -0.467 0.000 0.804 530 L CB 1.032 42.611 42.059 -0.800 0.000 1.197 530 L HN 0.267 nan 8.230 nan 0.000 0.431 531 P HA 0.126 nan 4.420 nan 0.000 0.270 531 P C -2.498 174.752 177.300 -0.083 0.000 1.223 531 P CA -1.063 61.953 63.100 -0.141 0.000 0.785 531 P CB -0.182 31.457 31.700 -0.101 0.000 0.923 532 P HA -0.042 nan 4.420 nan 0.000 0.267 532 P C -0.282 176.965 177.300 -0.088 0.000 1.200 532 P CA 0.705 63.692 63.100 -0.188 0.000 0.772 532 P CB -0.230 31.352 31.700 -0.195 0.000 0.855 533 H N -1.003 118.104 119.070 0.061 0.000 2.692 533 H HA -0.216 4.299 4.556 -0.067 0.000 0.316 533 H C -0.021 175.364 175.328 0.095 0.000 1.176 533 H CA -0.003 56.082 56.048 0.062 0.000 1.142 533 H CB -2.168 27.618 29.762 0.040 0.000 1.475 533 H HN 0.384 nan 8.280 nan 0.000 0.423 534 F N 2.370 122.305 119.950 -0.024 0.000 2.578 534 F HA 0.142 4.629 4.527 -0.067 0.000 0.381 534 F C 0.567 176.368 175.800 0.002 0.000 1.069 534 F CA -0.159 57.790 58.000 -0.085 0.000 1.231 534 F CB 0.528 39.375 39.000 -0.254 0.000 1.086 534 F HN 0.168 nan 8.300 nan 0.000 0.564 535 D N 6.471 126.536 120.400 -0.558 0.000 2.414 535 D HA 0.155 4.755 4.640 -0.068 0.000 0.232 535 D C 0.455 176.312 176.300 -0.738 0.000 1.070 535 D CA -0.345 53.379 54.000 -0.460 0.000 0.839 535 D CB 1.278 41.978 40.800 -0.166 0.000 1.079 535 D HN 0.644 nan 8.370 nan 0.000 0.521 536 K N 1.031 121.048 120.400 -0.639 0.000 2.442 536 K HA -0.069 4.210 4.320 -0.068 0.000 0.198 536 K C 1.495 178.061 176.600 -0.057 0.000 1.042 536 K CA 0.641 56.706 56.287 -0.370 0.000 0.958 536 K CB 0.191 32.626 32.500 -0.108 0.000 0.766 536 K HN 0.328 nan 8.250 nan 0.000 0.474 537 S N -0.060 115.582 115.700 -0.097 0.000 2.535 537 S HA 0.088 4.518 4.470 -0.068 0.000 0.214 537 S C 0.718 175.283 174.600 -0.058 0.000 0.980 537 S CA -0.209 57.967 58.200 -0.040 0.000 0.907 537 S CB 0.280 63.451 63.200 -0.048 0.000 0.790 537 S HN 0.052 nan 8.310 nan 0.000 0.510 538 K N 1.437 121.773 120.400 -0.106 0.000 2.090 538 K HA 0.330 4.609 4.320 -0.068 0.000 0.249 538 K C -0.717 175.798 176.600 -0.141 0.000 0.995 538 K CA -0.541 55.628 56.287 -0.196 0.000 0.914 538 K CB 0.588 32.864 32.500 -0.373 0.000 1.057 538 K HN 0.047 nan 8.250 nan 0.000 0.462 539 K N 3.001 123.262 120.400 -0.231 0.000 2.293 539 K HA 0.235 4.514 4.320 -0.068 0.000 0.267 539 K C -0.925 175.524 176.600 -0.253 0.000 1.010 539 K CA -0.402 55.813 56.287 -0.120 0.000 0.875 539 K CB 0.802 33.244 32.500 -0.097 0.000 1.106 539 K HN 0.425 nan 8.250 nan 0.000 0.450 540 Y N 2.828 123.147 120.300 0.032 0.000 2.387 540 Y HA 0.278 4.788 4.550 -0.067 0.000 0.330 540 Y C -1.745 174.086 175.900 -0.115 0.000 1.133 540 Y CA -2.255 55.840 58.100 -0.010 0.000 1.152 540 Y CB 1.001 39.522 38.460 0.102 0.000 1.215 540 Y HN 0.439 nan 8.280 nan 0.000 0.466 541 P HA 0.135 nan 4.420 nan 0.000 0.272 541 P C -1.143 176.008 177.300 -0.248 0.000 1.223 541 P CA -0.133 62.676 63.100 -0.483 0.000 0.784 541 P CB 1.434 32.490 31.700 -1.073 0.000 0.923 542 L N 3.050 124.171 121.223 -0.171 0.000 2.409 542 L HA 0.517 4.816 4.340 -0.068 0.000 0.272 542 L C -1.324 175.713 176.870 0.279 0.000 0.980 542 L CA -1.101 53.779 54.840 0.066 0.000 0.826 542 L CB 1.769 43.861 42.059 0.055 0.000 1.268 542 L HN 0.136 nan 8.230 nan 0.000 0.407 543 L N 5.457 126.844 121.223 0.272 0.000 2.287 543 L HA 0.510 4.810 4.340 -0.068 0.000 0.287 543 L C -1.163 175.903 176.870 0.326 0.000 1.022 543 L CA -0.294 54.760 54.840 0.356 0.000 0.814 543 L CB 1.511 43.745 42.059 0.292 0.000 1.217 543 L HN 0.674 nan 8.230 nan 0.000 0.420 544 L N 5.289 126.753 121.223 0.401 0.000 2.283 544 L HA 0.382 4.681 4.340 -0.068 0.000 0.287 544 L C -0.636 176.446 176.870 0.354 0.000 1.073 544 L CA 0.130 55.196 54.840 0.376 0.000 0.822 544 L CB 0.484 42.819 42.059 0.460 0.000 1.186 544 L HN 0.659 nan 8.230 nan 0.000 0.436 545 D N 4.496 125.082 120.400 0.311 0.000 2.359 545 D HA 0.246 4.846 4.640 -0.068 0.000 0.230 545 D C -1.037 175.342 176.300 0.130 0.000 1.118 545 D CA -0.032 54.085 54.000 0.195 0.000 0.844 545 D CB 1.386 42.369 40.800 0.306 0.000 1.059 545 D HN 0.298 nan 8.370 nan 0.000 0.493 546 V N 6.117 126.050 119.914 0.033 0.000 2.628 546 V HA 0.379 4.458 4.120 -0.068 0.000 0.306 546 V C -0.711 175.493 176.094 0.184 0.000 1.045 546 V CA -0.511 61.877 62.300 0.148 0.000 0.905 546 V CB 1.565 33.492 31.823 0.174 0.000 0.997 546 V HN 0.642 nan 8.190 nan 0.000 0.436 547 Y N 5.449 125.825 120.300 0.126 0.000 2.687 547 Y HA 0.503 5.014 4.550 -0.065 0.000 0.246 547 Y C 1.555 177.600 175.900 0.242 0.000 1.061 547 Y CA 1.162 59.365 58.100 0.172 0.000 1.400 547 Y CB -0.180 38.367 38.460 0.145 0.000 1.325 547 Y HN 1.159 nan 8.280 nan 0.000 0.498 548 A N 0.604 123.483 122.820 0.099 0.000 2.979 548 A HA -0.147 4.132 4.320 -0.068 0.000 0.260 548 A C 1.085 178.479 177.584 -0.318 0.000 1.282 548 A CA 1.068 53.101 52.037 -0.007 0.000 0.971 548 A CB -2.489 16.647 19.000 0.227 0.000 1.124 548 A HN 0.971 nan 8.150 nan 0.000 0.826 549 G N -0.923 107.387 108.800 -0.816 0.000 2.651 549 G HA2 0.479 4.398 3.960 -0.068 0.000 0.260 549 G HA3 0.479 4.398 3.960 -0.068 0.000 0.260 549 G C -2.320 172.084 174.900 -0.826 0.000 1.216 549 G CA -0.821 43.495 45.100 -1.307 0.000 0.913 549 G HN 0.282 nan 8.290 nan 0.000 0.535 550 P HA 0.100 nan 4.420 nan 0.000 0.262 550 P C 0.424 177.457 177.300 -0.445 0.000 1.199 550 P CA 0.191 62.890 63.100 -0.668 0.000 0.763 550 P CB 0.582 31.440 31.700 -1.404 0.000 0.790 551 C N 2.838 121.965 119.300 -0.289 0.000 4.497 551 C HA -0.133 4.287 4.460 -0.068 0.000 0.292 551 C C 0.897 175.822 174.990 -0.108 0.000 1.366 551 C CA 1.016 59.871 59.018 -0.272 0.000 1.987 551 C CB -2.716 24.737 27.740 -0.479 0.000 1.241 551 C HN 0.767 nan 8.230 nan 0.000 0.788 552 S N 0.041 115.618 115.700 -0.206 0.000 2.652 552 S HA 0.658 5.088 4.470 -0.068 0.000 0.270 552 S C -0.625 174.026 174.600 0.084 0.000 1.243 552 S CA -0.040 58.038 58.200 -0.203 0.000 0.999 552 S CB 1.805 64.523 63.200 -0.804 0.000 0.973 552 S HN 0.827 nan 8.310 nan 0.000 0.544 553 Q N -0.008 119.922 119.800 0.218 0.000 2.406 553 Q HA 0.327 4.626 4.340 -0.068 0.000 0.244 553 Q C -0.950 175.187 176.000 0.229 0.000 0.884 553 Q CA -0.492 55.457 55.803 0.242 0.000 0.813 553 Q CB 0.912 29.838 28.738 0.314 0.000 1.368 553 Q HN 0.660 nan 8.270 nan 0.000 0.439 554 K N 1.159 121.684 120.400 0.208 0.000 2.373 554 K HA 0.363 4.642 4.320 -0.068 0.000 0.202 554 K C -0.590 176.125 176.600 0.192 0.000 1.025 554 K CA 0.242 56.658 56.287 0.215 0.000 1.115 554 K CB 1.548 34.196 32.500 0.246 0.000 0.858 554 K HN 0.476 nan 8.250 nan 0.000 0.525 555 A N 2.601 125.529 122.820 0.181 0.000 2.431 555 A HA 0.423 4.702 4.320 -0.068 0.000 0.318 555 A C -0.933 176.714 177.584 0.104 0.000 1.330 555 A CA -0.628 51.514 52.037 0.175 0.000 0.804 555 A CB 0.215 19.371 19.000 0.259 0.000 1.135 555 A HN 0.201 nan 8.150 nan 0.000 0.483 556 D N -0.037 120.408 120.400 0.076 0.000 2.610 556 D HA 0.403 5.003 4.640 -0.068 0.000 0.271 556 D C 0.480 176.800 176.300 0.033 0.000 1.174 556 D CA 0.176 54.212 54.000 0.060 0.000 0.949 556 D CB 0.355 41.194 40.800 0.064 0.000 1.430 556 D HN 0.134 nan 8.370 nan 0.000 0.467 557 T N -2.358 112.243 114.554 0.077 0.000 3.188 557 T HA 0.261 4.570 4.350 -0.068 0.000 0.250 557 T C 0.676 175.350 174.700 -0.042 0.000 1.077 557 T CA -0.360 61.777 62.100 0.061 0.000 0.967 557 T CB -0.654 68.298 68.868 0.140 0.000 1.006 557 T HN 0.261 nan 8.240 nan 0.000 0.552 558 V N 2.442 122.216 119.914 -0.233 0.000 2.715 558 V HA 0.296 4.376 4.120 -0.068 0.000 0.299 558 V C 0.106 176.152 176.094 -0.080 0.000 1.054 558 V CA -0.909 61.215 62.300 -0.292 0.000 1.077 558 V CB 0.170 31.693 31.823 -0.500 0.000 0.972 558 V HN 0.553 nan 8.190 nan 0.000 0.484 559 F N 6.150 126.010 119.950 -0.150 0.000 2.420 559 F HA 0.565 5.049 4.527 -0.073 0.000 0.352 559 F C 0.456 176.207 175.800 -0.083 0.000 1.108 559 F CA -0.234 57.705 58.000 -0.102 0.000 1.162 559 F CB 0.340 39.289 39.000 -0.086 0.000 1.118 559 F HN 0.410 nan 8.300 nan 0.000 0.510 560 R N 6.532 126.542 120.500 -0.816 0.000 2.686 560 R HA 0.522 4.821 4.340 -0.068 0.000 0.283 560 R C -1.495 174.365 176.300 -0.732 0.000 0.978 560 R CA -0.995 54.766 56.100 -0.565 0.000 0.897 560 R CB 2.066 32.207 30.300 -0.265 0.000 1.192 560 R HN 0.680 nan 8.270 nan 0.000 0.457 561 L N 4.519 125.507 121.223 -0.390 0.000 2.335 561 L HA 0.352 4.652 4.340 -0.068 0.000 0.268 561 L C -0.600 176.292 176.870 0.036 0.000 1.037 561 L CA -0.653 54.027 54.840 -0.267 0.000 0.895 561 L CB 0.166 42.193 42.059 -0.054 0.000 1.266 561 L HN 0.731 nan 8.230 nan 0.000 0.439 562 N N -0.085 118.569 118.700 -0.076 0.000 3.283 562 N HA 0.169 4.869 4.740 -0.068 0.000 0.338 562 N C 0.313 175.536 175.510 -0.478 0.000 1.517 562 N CA -0.871 52.099 53.050 -0.133 0.000 0.733 562 N CB 0.248 38.730 38.487 -0.008 0.000 1.797 562 N HN 0.228 nan 8.380 nan 0.000 0.637 563 W N 0.557 121.328 121.300 -0.883 0.000 2.338 563 W HA 0.128 4.741 4.660 -0.078 0.000 0.304 563 W C 2.055 178.500 176.519 -0.123 0.000 1.212 563 W CA 2.858 59.821 57.345 -0.635 0.000 1.264 563 W CB -1.031 28.213 29.460 -0.360 0.000 1.142 563 W HN 0.698 nan 8.180 nan 0.000 0.512 564 A N -0.406 122.374 122.820 -0.066 0.000 1.940 564 A HA -0.214 4.065 4.320 -0.068 0.000 0.219 564 A C 1.948 179.430 177.584 -0.170 0.000 1.176 564 A CA 2.538 54.481 52.037 -0.158 0.000 0.631 564 A CB -1.302 17.689 19.000 -0.015 0.000 0.814 564 A HN 0.313 nan 8.150 nan 0.000 0.446 565 T N -1.236 113.235 114.554 -0.137 0.000 2.652 565 T HA -0.235 4.075 4.350 -0.068 0.000 0.267 565 T C 1.755 176.475 174.700 0.033 0.000 1.039 565 T CA 1.731 63.733 62.100 -0.163 0.000 1.153 565 T CB -0.593 68.020 68.868 -0.424 0.000 0.863 565 T HN 0.675 nan 8.240 nan 0.000 0.428 566 Y N 2.176 122.549 120.300 0.121 0.000 2.053 566 Y HA -0.201 4.317 4.550 -0.055 0.000 0.277 566 Y C 2.106 177.985 175.900 -0.035 0.000 1.159 566 Y CA 1.320 59.506 58.100 0.144 0.000 1.125 566 Y CB -0.644 37.880 38.460 0.107 0.000 0.969 566 Y HN 0.089 nan 8.280 nan 0.000 0.492 567 L N 0.423 121.241 121.223 -0.676 0.000 2.081 567 L HA -0.295 4.005 4.340 -0.068 0.000 0.212 567 L C 2.804 179.443 176.870 -0.385 0.000 1.080 567 L CA 1.310 55.710 54.840 -0.734 0.000 0.754 567 L CB -1.025 40.623 42.059 -0.685 0.000 0.893 567 L HN 0.489 nan 8.230 nan 0.000 0.433 568 A N -0.964 121.703 122.820 -0.256 0.000 1.835 568 A HA -0.172 4.107 4.320 -0.068 0.000 0.213 568 A C 2.509 180.029 177.584 -0.107 0.000 1.210 568 A CA 1.508 53.446 52.037 -0.164 0.000 0.605 568 A CB -0.846 18.058 19.000 -0.160 0.000 0.860 568 A HN 0.304 nan 8.150 nan 0.000 0.447 569 S N -1.011 114.650 115.700 -0.064 0.000 2.374 569 S HA -0.157 4.272 4.470 -0.068 0.000 0.227 569 S C 1.887 176.506 174.600 0.032 0.000 1.037 569 S CA 2.553 60.761 58.200 0.013 0.000 1.024 569 S CB -0.421 62.842 63.200 0.104 0.000 0.861 569 S HN 0.606 nan 8.310 nan 0.000 0.456 570 T N 0.710 115.255 114.554 -0.016 0.000 3.045 570 T HA 0.210 4.520 4.350 -0.068 0.000 0.239 570 T C 1.388 176.053 174.700 -0.059 0.000 1.008 570 T CA 0.385 62.489 62.100 0.008 0.000 1.143 570 T CB -0.077 68.866 68.868 0.126 0.000 0.894 570 T HN 0.300 nan 8.240 nan 0.000 0.451 571 E N 1.383 121.462 120.200 -0.202 0.000 2.474 571 E HA 0.170 4.480 4.350 -0.068 0.000 0.195 571 E C -0.125 176.453 176.600 -0.037 0.000 1.039 571 E CA -0.062 56.258 56.400 -0.133 0.000 0.881 571 E CB -0.287 29.269 29.700 -0.240 0.000 0.970 571 E HN 0.547 nan 8.360 nan 0.000 0.486 572 N N 0.663 119.354 118.700 -0.014 0.000 2.740 572 N HA -0.193 4.506 4.740 -0.068 0.000 0.248 572 N C -0.796 174.781 175.510 0.112 0.000 1.062 572 N CA 0.250 53.355 53.050 0.093 0.000 0.704 572 N CB -1.342 37.263 38.487 0.197 0.000 0.968 572 N HN 0.205 nan 8.380 nan 0.000 0.547 573 I N 0.760 121.325 120.570 -0.009 0.000 2.392 573 I HA 0.348 4.477 4.170 -0.068 0.000 0.295 573 I C 0.631 176.714 176.117 -0.057 0.000 0.985 573 I CA -0.826 60.471 61.300 -0.006 0.000 1.221 573 I CB 1.297 39.304 38.000 0.013 0.000 1.366 573 I HN 0.035 nan 8.210 nan 0.000 0.467 574 I N 6.278 126.827 120.570 -0.035 0.000 2.416 574 I HA 0.137 4.266 4.170 -0.068 0.000 0.288 574 I C -0.396 175.695 176.117 -0.044 0.000 1.051 574 I CA -0.365 60.883 61.300 -0.085 0.000 1.375 574 I CB 0.942 38.909 38.000 -0.055 0.000 1.407 574 I HN 0.210 nan 8.210 nan 0.000 0.516 575 V N 6.988 126.864 119.914 -0.063 0.000 2.328 575 V HA 0.568 4.647 4.120 -0.068 0.000 0.278 575 V C 0.458 176.554 176.094 0.004 0.000 1.021 575 V CA -0.480 61.823 62.300 0.005 0.000 0.838 575 V CB 0.922 32.749 31.823 0.008 0.000 0.999 575 V HN 0.830 nan 8.190 nan 0.000 0.447 576 A N 4.087 126.914 122.820 0.013 0.000 2.281 576 A HA 0.953 5.233 4.320 -0.068 0.000 0.329 576 A C -0.019 177.665 177.584 0.168 0.000 1.122 576 A CA -0.483 51.539 52.037 -0.025 0.000 0.850 576 A CB 1.482 20.232 19.000 -0.416 0.000 1.207 576 A HN 0.707 nan 8.150 nan 0.000 0.495 577 S N -0.616 115.247 115.700 0.272 0.000 2.541 577 S HA 0.685 5.115 4.470 -0.068 0.000 0.271 577 S C -1.560 173.379 174.600 0.564 0.000 1.133 577 S CA -0.316 58.108 58.200 0.373 0.000 0.876 577 S CB 1.318 64.688 63.200 0.284 0.000 1.105 577 S HN 0.821 nan 8.310 nan 0.000 0.470 578 F N 1.837 122.017 119.950 0.383 0.000 2.561 578 F HA 0.489 4.975 4.527 -0.069 0.000 0.313 578 F C -1.571 174.425 175.800 0.327 0.000 1.126 578 F CA -0.678 57.578 58.000 0.426 0.000 0.918 578 F CB 1.498 40.750 39.000 0.420 0.000 1.199 578 F HN 0.405 nan 8.300 nan 0.000 0.444 579 D N 4.762 124.945 120.400 -0.362 0.000 2.485 579 D HA 0.341 4.941 4.640 -0.068 0.000 0.221 579 D C 0.411 176.421 176.300 -0.485 0.000 1.112 579 D CA 0.124 53.984 54.000 -0.234 0.000 0.911 579 D CB 1.365 42.185 40.800 0.033 0.000 1.019 579 D HN 0.757 nan 8.370 nan 0.000 0.516 580 G N 1.160 109.753 108.800 -0.344 0.000 2.574 580 G HA2 0.274 4.193 3.960 -0.068 0.000 0.248 580 G HA3 0.274 4.193 3.960 -0.068 0.000 0.248 580 G C 0.236 175.173 174.900 0.061 0.000 1.422 580 G CA -0.717 44.242 45.100 -0.235 0.000 1.051 580 G HN 0.284 nan 8.290 nan 0.000 0.560 581 R N -0.921 119.607 120.500 0.047 0.000 2.638 581 R HA 0.340 4.639 4.340 -0.068 0.000 0.268 581 R C 1.342 177.717 176.300 0.125 0.000 1.006 581 R CA 1.557 57.757 56.100 0.166 0.000 1.088 581 R CB 0.305 30.675 30.300 0.117 0.000 0.950 581 R HN 1.089 nan 8.270 nan 0.000 0.419 582 G N 0.926 109.786 108.800 0.100 0.000 2.217 582 G HA2 -0.331 3.589 3.960 -0.068 0.000 0.246 582 G HA3 -0.331 3.589 3.960 -0.068 0.000 0.246 582 G C 0.119 174.998 174.900 -0.035 0.000 0.990 582 G CA 0.246 45.373 45.100 0.045 0.000 0.627 582 G HN 0.745 nan 8.290 nan 0.000 0.522 583 S N 0.216 115.910 115.700 -0.010 0.000 2.603 583 S HA 0.690 5.119 4.470 -0.068 0.000 0.268 583 S C 0.771 175.333 174.600 -0.064 0.000 1.317 583 S CA 0.486 58.663 58.200 -0.038 0.000 1.012 583 S CB 1.905 65.121 63.200 0.027 0.000 0.926 583 S HN 1.658 nan 8.310 nan 0.000 0.539 584 G N -0.594 108.145 108.800 -0.103 0.000 2.521 584 G HA2 0.527 4.446 3.960 -0.068 0.000 0.323 584 G HA3 0.527 4.446 3.960 -0.068 0.000 0.323 584 G C -0.930 173.880 174.900 -0.150 0.000 1.211 584 G CA -1.110 43.802 45.100 -0.314 0.000 0.979 584 G HN 1.052 nan 8.290 nan 0.000 0.490 585 Y N -2.380 117.906 120.300 -0.024 0.000 4.729 585 Y HA -0.221 4.289 4.550 -0.067 0.000 0.239 585 Y C 1.105 177.001 175.900 -0.007 0.000 1.043 585 Y CA 0.938 59.036 58.100 -0.004 0.000 2.045 585 Y CB -2.052 36.426 38.460 0.030 0.000 1.599 585 Y HN 0.528 nan 8.280 nan 0.000 0.655 586 Q N -0.041 119.768 119.800 0.015 0.000 2.074 586 Q HA 0.523 4.822 4.340 -0.068 0.000 0.265 586 Q C 0.602 176.475 176.000 -0.212 0.000 0.855 586 Q CA 0.151 55.971 55.803 0.027 0.000 1.083 586 Q CB 1.707 30.460 28.738 0.026 0.000 1.260 586 Q HN 0.623 nan 8.270 nan 0.000 0.427 587 G N 0.584 109.121 108.800 -0.439 0.000 2.662 587 G HA2 -0.172 3.748 3.960 -0.068 0.000 0.686 587 G HA3 -0.172 3.748 3.960 -0.068 0.000 0.686 587 G C -0.548 173.979 174.900 -0.622 0.000 1.271 587 G CA -0.557 44.027 45.100 -0.861 0.000 0.816 587 G HN 0.114 nan 8.290 nan 0.000 0.608 588 D N -0.035 119.952 120.400 -0.688 0.000 2.317 588 D HA -0.012 4.587 4.640 -0.068 0.000 0.211 588 D C 2.189 178.184 176.300 -0.509 0.000 0.966 588 D CA 1.220 54.759 54.000 -0.769 0.000 0.876 588 D CB 0.121 40.373 40.800 -0.913 0.000 0.927 588 D HN 0.520 nan 8.370 nan 0.000 0.519 589 K N 1.043 121.212 120.400 -0.385 0.000 2.026 589 K HA -0.078 4.202 4.320 -0.068 0.000 0.208 589 K C 1.924 178.429 176.600 -0.159 0.000 1.048 589 K CA 0.999 57.150 56.287 -0.227 0.000 0.929 589 K CB -0.340 32.040 32.500 -0.200 0.000 0.713 589 K HN 0.076 nan 8.250 nan 0.000 0.439 590 I N 0.112 120.576 120.570 -0.177 0.000 2.202 590 I HA -0.215 3.915 4.170 -0.068 0.000 0.242 590 I C 2.635 178.721 176.117 -0.052 0.000 1.091 590 I CA 1.429 62.690 61.300 -0.064 0.000 1.368 590 I CB -0.169 37.793 38.000 -0.063 0.000 1.058 590 I HN 0.324 nan 8.210 nan 0.000 0.410 591 M N -0.354 119.144 119.600 -0.170 0.000 2.254 591 M HA -0.187 4.253 4.480 -0.068 0.000 0.265 591 M C 1.898 178.226 176.300 0.047 0.000 1.066 591 M CA 1.893 57.121 55.300 -0.121 0.000 1.123 591 M CB -0.191 32.240 32.600 -0.282 0.000 1.388 591 M HN 0.270 nan 8.290 nan 0.000 0.425 592 H N -1.110 117.859 119.070 -0.168 0.000 2.553 592 H HA 0.223 4.739 4.556 -0.068 0.000 0.265 592 H C 1.939 177.279 175.328 0.020 0.000 0.964 592 H CA 0.237 56.199 56.048 -0.144 0.000 1.156 592 H CB 0.315 29.894 29.762 -0.304 0.000 1.411 592 H HN 0.502 nan 8.280 nan 0.000 0.558 593 A N 1.617 124.514 122.820 0.129 0.000 2.032 593 A HA -0.187 4.092 4.320 -0.068 0.000 0.221 593 A C 2.035 179.770 177.584 0.250 0.000 1.165 593 A CA 1.600 53.700 52.037 0.106 0.000 0.645 593 A CB -0.644 18.359 19.000 0.004 0.000 0.807 593 A HN 0.482 nan 8.150 nan 0.000 0.453 594 I N -2.211 118.519 120.570 0.266 0.000 3.684 594 I HA 0.110 4.239 4.170 -0.068 0.000 0.304 594 I C 0.514 176.737 176.117 0.177 0.000 1.278 594 I CA -0.580 60.874 61.300 0.257 0.000 1.272 594 I CB -1.063 37.047 38.000 0.184 0.000 1.029 594 I HN 0.247 nan 8.210 nan 0.000 0.458 595 N N 2.944 121.780 118.700 0.226 0.000 2.294 595 N HA -0.122 4.578 4.740 -0.068 0.000 0.263 595 N C 0.319 175.868 175.510 0.065 0.000 1.281 595 N CA 0.431 53.602 53.050 0.201 0.000 0.846 595 N CB 0.232 38.807 38.487 0.146 0.000 1.061 595 N HN 0.370 nan 8.380 nan 0.000 0.478 596 R N 0.754 121.266 120.500 0.019 0.000 3.977 596 R HA -0.187 4.113 4.340 -0.068 0.000 0.428 596 R C -0.283 175.897 176.300 -0.199 0.000 1.079 596 R CA 1.265 57.330 56.100 -0.058 0.000 1.269 596 R CB -0.847 29.437 30.300 -0.026 0.000 1.856 596 R HN 0.706 nan 8.270 nan 0.000 0.551 597 R N 0.861 121.230 120.500 -0.219 0.000 2.782 597 R HA 0.260 4.559 4.340 -0.068 0.000 0.293 597 R C -0.356 175.907 176.300 -0.062 0.000 1.333 597 R CA -0.418 55.385 56.100 -0.494 0.000 1.479 597 R CB 0.585 30.581 30.300 -0.506 0.000 1.306 597 R HN 0.036 nan 8.270 nan 0.000 0.654 598 L N 0.206 121.478 121.223 0.082 0.000 2.483 598 L HA 0.153 4.453 4.340 -0.068 0.000 0.276 598 L C 1.364 178.525 176.870 0.485 0.000 1.213 598 L CA 0.859 55.835 54.840 0.228 0.000 0.843 598 L CB 0.370 42.417 42.059 -0.019 0.000 1.107 598 L HN 0.730 nan 8.230 nan 0.000 0.487 599 G N 0.882 109.977 108.800 0.491 0.000 2.132 599 G HA2 -0.274 3.646 3.960 -0.068 0.000 0.228 599 G HA3 -0.274 3.646 3.960 -0.068 0.000 0.228 599 G C 0.419 175.409 174.900 0.150 0.000 1.000 599 G CA 0.489 45.795 45.100 0.344 0.000 0.693 599 G HN 0.843 nan 8.290 nan 0.000 0.515 600 T N -3.472 111.137 114.554 0.092 0.000 3.409 600 T HA 0.459 4.768 4.350 -0.068 0.000 0.188 600 T C 1.683 176.328 174.700 -0.091 0.000 0.929 600 T CA 0.963 62.992 62.100 -0.118 0.000 1.184 600 T CB -0.038 68.576 68.868 -0.424 0.000 1.570 600 T HN 0.124 nan 8.240 nan 0.000 0.367 601 F N 3.400 123.403 119.950 0.090 0.000 2.134 601 F HA 0.096 4.582 4.527 -0.068 0.000 0.299 601 F C 2.855 178.699 175.800 0.073 0.000 1.097 601 F CA 1.285 59.323 58.000 0.065 0.000 1.264 601 F CB -0.588 38.444 39.000 0.054 0.000 1.001 601 F HN 0.465 nan 8.300 nan 0.000 0.479 602 E N 0.779 121.145 120.200 0.276 0.000 2.153 602 E HA -0.131 4.178 4.350 -0.068 0.000 0.194 602 E C 2.163 178.883 176.600 0.200 0.000 0.988 602 E CA 1.419 57.955 56.400 0.228 0.000 0.811 602 E CB -1.127 28.713 29.700 0.234 0.000 0.746 602 E HN 0.295 nan 8.360 nan 0.000 0.466 603 V N 1.666 121.674 119.914 0.157 0.000 2.307 603 V HA -0.222 3.857 4.120 -0.068 0.000 0.245 603 V C 2.290 178.430 176.094 0.078 0.000 1.045 603 V CA 2.261 64.611 62.300 0.082 0.000 1.024 603 V CB -0.536 31.290 31.823 0.004 0.000 0.651 603 V HN 0.236 nan 8.190 nan 0.000 0.449 604 E N -0.157 120.096 120.200 0.089 0.000 2.150 604 E HA -0.208 4.102 4.350 -0.068 0.000 0.193 604 E C 1.860 178.502 176.600 0.069 0.000 0.985 604 E CA 1.308 57.756 56.400 0.080 0.000 0.814 604 E CB -0.151 29.612 29.700 0.106 0.000 0.752 604 E HN 0.568 nan 8.360 nan 0.000 0.466 605 D N 0.332 120.795 120.400 0.105 0.000 2.144 605 D HA -0.123 4.476 4.640 -0.068 0.000 0.200 605 D C 1.977 178.315 176.300 0.062 0.000 0.978 605 D CA 0.740 54.791 54.000 0.086 0.000 0.833 605 D CB -0.052 40.840 40.800 0.154 0.000 0.961 605 D HN 0.083 nan 8.370 nan 0.000 0.470 606 Q N 0.255 120.148 119.800 0.154 0.000 2.020 606 Q HA -0.085 4.214 4.340 -0.068 0.000 0.202 606 Q C 2.608 178.678 176.000 0.117 0.000 0.982 606 Q CA 0.686 56.588 55.803 0.164 0.000 0.838 606 Q CB -0.360 28.492 28.738 0.190 0.000 0.899 606 Q HN 0.408 nan 8.270 nan 0.000 0.423 607 I N 0.982 121.638 120.570 0.144 0.000 2.118 607 I HA -0.308 3.821 4.170 -0.068 0.000 0.241 607 I C 2.483 178.582 176.117 -0.030 0.000 1.070 607 I CA 1.547 62.962 61.300 0.191 0.000 1.327 607 I CB -0.358 37.733 38.000 0.152 0.000 1.034 607 I HN 0.186 nan 8.210 nan 0.000 0.405 608 E N 1.439 121.569 120.200 -0.118 0.000 2.118 608 E HA -0.229 4.080 4.350 -0.068 0.000 0.195 608 E C 2.062 178.383 176.600 -0.466 0.000 0.992 608 E CA 1.757 58.014 56.400 -0.238 0.000 0.804 608 E CB -0.248 29.330 29.700 -0.203 0.000 0.741 608 E HN 0.439 nan 8.360 nan 0.000 0.458 609 A N 0.876 123.288 122.820 -0.679 0.000 1.883 609 A HA -0.111 4.168 4.320 -0.068 0.000 0.217 609 A C 2.497 179.416 177.584 -1.109 0.000 1.186 609 A CA 2.471 53.780 52.037 -1.213 0.000 0.624 609 A CB -1.191 16.996 19.000 -1.356 0.000 0.822 609 A HN 0.415 nan 8.150 nan 0.000 0.444 610 A N -0.515 122.044 122.820 -0.434 0.000 1.933 610 A HA -0.176 4.103 4.320 -0.068 0.000 0.218 610 A C 2.246 179.658 177.584 -0.287 0.000 1.175 610 A CA 1.558 53.485 52.037 -0.184 0.000 0.628 610 A CB -0.487 18.413 19.000 -0.167 0.000 0.814 610 A HN 0.551 nan 8.150 nan 0.000 0.444 611 R N -0.901 119.408 120.500 -0.318 0.000 2.081 611 R HA -0.133 4.166 4.340 -0.068 0.000 0.235 611 R C 2.423 178.545 176.300 -0.296 0.000 1.131 611 R CA 1.452 57.392 56.100 -0.266 0.000 0.960 611 R CB -0.243 29.927 30.300 -0.216 0.000 0.856 611 R HN 0.562 nan 8.270 nan 0.000 0.436 612 Q N -0.216 119.319 119.800 -0.442 0.000 2.046 612 Q HA -0.119 4.180 4.340 -0.068 0.000 0.200 612 Q C 2.063 177.828 176.000 -0.393 0.000 0.975 612 Q CA 1.434 56.964 55.803 -0.456 0.000 0.836 612 Q CB -0.261 28.102 28.738 -0.625 0.000 0.896 612 Q HN 0.273 nan 8.270 nan 0.000 0.428 613 F N 1.291 121.054 119.950 -0.311 0.000 2.126 613 F HA -0.152 4.335 4.527 -0.066 0.000 0.299 613 F C 2.602 178.178 175.800 -0.373 0.000 1.096 613 F CA 1.009 58.801 58.000 -0.347 0.000 1.255 613 F CB -1.097 37.745 39.000 -0.263 0.000 0.997 613 F HN -0.043 nan 8.300 nan 0.000 0.479 614 S N -0.137 115.491 115.700 -0.120 0.000 2.370 614 S HA -0.199 4.231 4.470 -0.068 0.000 0.226 614 S C 1.783 176.273 174.600 -0.184 0.000 1.033 614 S CA 1.203 59.307 58.200 -0.160 0.000 1.011 614 S CB -0.393 62.719 63.200 -0.147 0.000 0.852 614 S HN 0.372 nan 8.310 nan 0.000 0.457 615 K N 0.464 120.757 120.400 -0.179 0.000 2.555 615 K HA 0.173 4.452 4.320 -0.068 0.000 0.193 615 K C 1.255 177.765 176.600 -0.150 0.000 1.032 615 K CA 0.395 56.593 56.287 -0.147 0.000 1.004 615 K CB -0.177 32.244 32.500 -0.133 0.000 0.804 615 K HN 0.426 nan 8.250 nan 0.000 0.496 616 M N -1.078 118.376 119.600 -0.242 0.000 2.502 616 M HA 0.051 4.490 4.480 -0.068 0.000 0.243 616 M C 1.151 177.300 176.300 -0.251 0.000 1.130 616 M CA 0.547 55.689 55.300 -0.264 0.000 1.055 616 M CB 0.680 33.022 32.600 -0.430 0.000 1.457 616 M HN 0.387 nan 8.290 nan 0.000 0.488 617 G N 1.087 109.740 108.800 -0.246 0.000 2.225 617 G HA2 -0.304 3.615 3.960 -0.068 0.000 0.254 617 G HA3 -0.304 3.615 3.960 -0.068 0.000 0.254 617 G C 0.468 175.371 174.900 0.004 0.000 0.988 617 G CA 0.425 45.478 45.100 -0.079 0.000 0.625 617 G HN 0.619 nan 8.290 nan 0.000 0.527 618 F N 0.277 120.279 119.950 0.088 0.000 2.647 618 F HA 0.760 5.246 4.527 -0.068 0.000 0.300 618 F C 0.117 176.019 175.800 0.170 0.000 1.106 618 F CA -1.017 57.063 58.000 0.133 0.000 1.313 618 F CB 0.319 39.451 39.000 0.220 0.000 1.007 618 F HN 0.069 nan 8.300 nan 0.000 0.536 619 V N 1.342 121.246 119.914 -0.017 0.000 2.448 619 V HA 0.193 4.272 4.120 -0.068 0.000 0.295 619 V C -0.651 175.421 176.094 -0.035 0.000 1.025 619 V CA -0.822 61.480 62.300 0.003 0.000 0.859 619 V CB 1.534 33.306 31.823 -0.085 0.000 0.988 619 V HN 0.095 nan 8.190 nan 0.000 0.431 620 D N 3.993 124.367 120.400 -0.043 0.000 2.344 620 D HA 0.032 4.631 4.640 -0.068 0.000 0.253 620 D C 0.975 177.224 176.300 -0.086 0.000 1.255 620 D CA -0.162 53.789 54.000 -0.082 0.000 0.894 620 D CB 0.639 41.367 40.800 -0.119 0.000 1.067 620 D HN 0.684 nan 8.370 nan 0.000 0.492 621 N N 2.937 121.590 118.700 -0.078 0.000 2.434 621 N HA -0.071 4.628 4.740 -0.068 0.000 0.196 621 N C 0.491 175.962 175.510 -0.066 0.000 1.183 621 N CA 0.237 53.237 53.050 -0.084 0.000 0.849 621 N CB 0.133 38.560 38.487 -0.100 0.000 0.992 621 N HN 0.297 nan 8.380 nan 0.000 0.460 622 K N 0.028 120.400 120.400 -0.048 0.000 2.367 622 K HA 0.175 4.455 4.320 -0.068 0.000 0.194 622 K C 0.072 176.687 176.600 0.025 0.000 1.027 622 K CA 0.073 56.350 56.287 -0.016 0.000 1.075 622 K CB 0.757 33.247 32.500 -0.015 0.000 0.845 622 K HN 0.195 nan 8.250 nan 0.000 0.529 623 R N 1.335 121.830 120.500 -0.007 0.000 2.629 623 R HA 0.417 4.717 4.340 -0.068 0.000 0.277 623 R C -0.898 175.423 176.300 0.035 0.000 1.637 623 R CA -0.120 55.996 56.100 0.027 0.000 1.663 623 R CB 0.615 30.763 30.300 -0.253 0.000 1.228 623 R HN -0.008 nan 8.270 nan 0.000 0.632 624 I N 1.140 121.850 120.570 0.233 0.000 2.466 624 I HA 0.575 4.704 4.170 -0.068 0.000 0.289 624 I C -0.239 176.174 176.117 0.493 0.000 1.026 624 I CA -0.801 60.658 61.300 0.265 0.000 1.078 624 I CB 2.048 40.050 38.000 0.002 0.000 1.249 624 I HN 0.353 nan 8.210 nan 0.000 0.429 625 A N 6.736 129.926 122.820 0.616 0.000 2.435 625 A HA 0.943 5.223 4.320 -0.068 0.000 0.296 625 A C -1.279 176.631 177.584 0.545 0.000 1.147 625 A CA -0.659 51.704 52.037 0.544 0.000 0.775 625 A CB 2.204 21.396 19.000 0.320 0.000 1.340 625 A HN 0.727 nan 8.150 nan 0.000 0.427 626 I N 0.524 121.329 120.570 0.391 0.000 2.692 626 I HA 0.684 4.813 4.170 -0.068 0.000 0.293 626 I C -1.788 174.570 176.117 0.400 0.000 1.200 626 I CA -0.496 60.974 61.300 0.284 0.000 1.036 626 I CB 1.486 39.397 38.000 -0.149 0.000 1.258 626 I HN 0.925 nan 8.210 nan 0.000 0.421 627 W N 7.032 128.455 121.300 0.204 0.000 3.062 627 W HA 0.902 5.520 4.660 -0.071 0.000 0.336 627 W C -1.346 175.307 176.519 0.224 0.000 1.224 627 W CA -1.118 56.353 57.345 0.210 0.000 1.159 627 W CB 1.132 30.764 29.460 0.287 0.000 1.454 627 W HN 0.838 nan 8.180 nan 0.000 0.569 628 G N 0.420 109.155 108.800 -0.108 0.000 2.547 628 G HA2 0.435 4.355 3.960 -0.068 0.000 0.291 628 G HA3 0.435 4.355 3.960 -0.068 0.000 0.291 628 G C -2.802 172.039 174.900 -0.099 0.000 1.471 628 G CA -0.751 44.142 45.100 -0.345 0.000 0.798 628 G HN 0.613 nan 8.290 nan 0.000 0.504 629 W N 1.185 122.327 121.300 -0.263 0.000 2.689 629 W HA 0.568 5.185 4.660 -0.070 0.000 0.340 629 W C 0.906 177.391 176.519 -0.057 0.000 1.060 629 W CA 0.489 57.750 57.345 -0.141 0.000 1.218 629 W CB 1.667 31.024 29.460 -0.172 0.000 1.410 629 W HN 1.236 nan 8.180 nan 0.000 0.528 630 S N 1.939 117.872 115.700 0.388 0.000 4.114 630 S HA -0.438 3.992 4.470 -0.068 0.000 0.618 630 S C 0.859 175.585 174.600 0.209 0.000 1.937 630 S CA 1.568 59.980 58.200 0.352 0.000 4.228 630 S CB -1.569 61.888 63.200 0.427 0.000 0.216 630 S HN 0.757 nan 8.310 nan 0.000 0.528 631 Y N 3.227 123.628 120.300 0.167 0.000 2.274 631 Y HA 0.000 4.509 4.550 -0.069 0.000 0.290 631 Y C 2.507 178.609 175.900 0.337 0.000 1.145 631 Y CA 2.022 60.304 58.100 0.303 0.000 1.203 631 Y CB -0.952 37.805 38.460 0.495 0.000 0.984 631 Y HN 0.586 nan 8.280 nan 0.000 0.533 632 G N -0.763 108.319 108.800 0.470 0.000 2.422 632 G HA2 -0.260 3.659 3.960 -0.068 0.000 0.218 632 G HA3 -0.260 3.659 3.960 -0.068 0.000 0.218 632 G C 1.843 176.836 174.900 0.155 0.000 1.146 632 G CA 0.794 46.075 45.100 0.302 0.000 0.769 632 G HN 0.561 nan 8.290 nan 0.000 0.547 633 G N -0.323 108.550 108.800 0.121 0.000 2.394 633 G HA2 -0.183 3.737 3.960 -0.068 0.000 0.215 633 G HA3 -0.183 3.737 3.960 -0.068 0.000 0.215 633 G C 1.549 176.492 174.900 0.071 0.000 1.165 633 G CA 0.956 46.098 45.100 0.069 0.000 0.784 633 G HN 0.469 nan 8.290 nan 0.000 0.535 634 Y N 1.159 121.395 120.300 -0.107 0.000 2.097 634 Y HA -0.199 4.310 4.550 -0.069 0.000 0.282 634 Y C 2.821 178.646 175.900 -0.125 0.000 1.152 634 Y CA 1.981 59.958 58.100 -0.205 0.000 1.136 634 Y CB -0.290 37.903 38.460 -0.446 0.000 0.975 634 Y HN 0.029 nan 8.280 nan 0.000 0.498 635 V N -0.004 119.827 119.914 -0.138 0.000 2.332 635 V HA -0.346 3.733 4.120 -0.068 0.000 0.248 635 V C 2.295 178.305 176.094 -0.141 0.000 1.055 635 V CA 2.389 64.601 62.300 -0.147 0.000 1.038 635 V CB -1.117 30.785 31.823 0.132 0.000 0.651 635 V HN 0.545 nan 8.190 nan 0.000 0.450 636 T N -0.110 114.413 114.554 -0.052 0.000 2.635 636 T HA -0.222 4.087 4.350 -0.068 0.000 0.267 636 T C 2.138 176.782 174.700 -0.094 0.000 1.040 636 T CA 2.116 64.186 62.100 -0.051 0.000 1.156 636 T CB -0.310 68.601 68.868 0.072 0.000 0.863 636 T HN 0.531 nan 8.240 nan 0.000 0.430 637 S N 1.041 116.715 115.700 -0.044 0.000 2.368 637 S HA -0.030 4.400 4.470 -0.068 0.000 0.225 637 S C 2.156 176.653 174.600 -0.172 0.000 1.030 637 S CA 0.991 59.178 58.200 -0.021 0.000 0.999 637 S CB -0.303 62.926 63.200 0.048 0.000 0.844 637 S HN 0.331 nan 8.310 nan 0.000 0.459 638 M N 0.895 120.317 119.600 -0.296 0.000 2.159 638 M HA -0.035 4.405 4.480 -0.068 0.000 0.263 638 M C 2.178 178.317 176.300 -0.268 0.000 1.063 638 M CA 1.035 56.143 55.300 -0.319 0.000 1.110 638 M CB -1.341 30.976 32.600 -0.473 0.000 1.374 638 M HN 0.185 nan 8.290 nan 0.000 0.411 639 V N 0.579 120.332 119.914 -0.269 0.000 2.270 639 V HA -0.228 3.851 4.120 -0.068 0.000 0.245 639 V C 2.488 178.395 176.094 -0.312 0.000 1.043 639 V CA 1.391 63.533 62.300 -0.263 0.000 1.014 639 V CB -0.609 30.994 31.823 -0.366 0.000 0.645 639 V HN 0.390 nan 8.190 nan 0.000 0.447 640 L N 0.482 121.454 121.223 -0.419 0.000 2.191 640 L HA -0.049 4.251 4.340 -0.068 0.000 0.212 640 L C 2.257 178.577 176.870 -0.916 0.000 1.103 640 L CA 1.445 55.954 54.840 -0.551 0.000 0.769 640 L CB -0.741 40.992 42.059 -0.543 0.000 0.908 640 L HN 0.489 nan 8.230 nan 0.000 0.438 641 G N -1.349 106.875 108.800 -0.959 0.000 3.088 641 G HA2 -0.072 3.847 3.960 -0.068 0.000 0.212 641 G HA3 -0.072 3.847 3.960 -0.068 0.000 0.212 641 G C 1.393 176.098 174.900 -0.326 0.000 1.173 641 G CA 0.623 45.253 45.100 -0.783 0.000 0.779 641 G HN 0.448 nan 8.290 nan 0.000 0.540 642 S N -0.907 114.638 115.700 -0.257 0.000 2.556 642 S HA 0.348 4.777 4.470 -0.068 0.000 0.216 642 S C 1.677 176.226 174.600 -0.085 0.000 0.970 642 S CA 0.749 58.871 58.200 -0.131 0.000 0.912 642 S CB 0.070 63.213 63.200 -0.095 0.000 0.790 642 S HN 1.252 nan 8.310 nan 0.000 0.504 643 G N 2.036 110.775 108.800 -0.101 0.000 2.323 643 G HA2 -0.313 3.606 3.960 -0.068 0.000 0.292 643 G HA3 -0.313 3.606 3.960 -0.068 0.000 0.292 643 G C 0.740 175.626 174.900 -0.023 0.000 1.040 643 G CA 0.687 45.754 45.100 -0.056 0.000 0.942 643 G HN 1.212 nan 8.290 nan 0.000 0.506 644 S N -1.284 114.416 115.700 -0.001 0.000 2.478 644 S HA 0.375 4.805 4.470 -0.068 0.000 0.222 644 S C 2.398 176.999 174.600 0.002 0.000 1.008 644 S CA 1.432 59.641 58.200 0.015 0.000 0.928 644 S CB 0.118 63.355 63.200 0.062 0.000 0.781 644 S HN 2.378 nan 8.310 nan 0.000 0.518 645 G N 0.400 109.207 108.800 0.011 0.000 2.267 645 G HA2 -0.326 3.594 3.960 -0.068 0.000 0.257 645 G HA3 -0.326 3.594 3.960 -0.068 0.000 0.257 645 G C 0.895 175.772 174.900 -0.037 0.000 0.998 645 G CA 0.433 45.529 45.100 -0.007 0.000 0.620 645 G HN 0.679 nan 8.290 nan 0.000 0.529 646 V N 0.007 119.871 119.914 -0.082 0.000 2.427 646 V HA 0.194 4.274 4.120 -0.068 0.000 0.248 646 V C 1.315 177.171 176.094 -0.398 0.000 1.051 646 V CA 1.774 63.892 62.300 -0.303 0.000 1.048 646 V CB -0.412 31.105 31.823 -0.511 0.000 0.666 646 V HN 0.319 nan 8.190 nan 0.000 0.456 647 F N -0.340 119.627 119.950 0.028 0.000 2.421 647 F HA 0.399 4.886 4.527 -0.068 0.000 0.337 647 F C 1.057 176.902 175.800 0.075 0.000 1.105 647 F CA -0.459 57.583 58.000 0.070 0.000 1.049 647 F CB 1.433 40.476 39.000 0.071 0.000 1.139 647 F HN -0.261 nan 8.300 nan 0.000 0.479 648 K N 1.457 122.028 120.400 0.285 0.000 2.202 648 K HA 0.154 4.433 4.320 -0.068 0.000 0.201 648 K C -0.069 176.655 176.600 0.206 0.000 1.051 648 K CA 0.769 57.177 56.287 0.202 0.000 0.977 648 K CB 0.341 32.955 32.500 0.191 0.000 0.792 648 K HN 0.797 nan 8.250 nan 0.000 0.469 649 c N -2.458 116.295 118.600 0.255 0.000 3.332 649 c HA 0.911 5.441 4.570 -0.068 0.000 0.329 649 c C -0.174 174.130 174.090 0.356 0.000 1.434 649 c CA -0.555 55.947 56.329 0.289 0.000 1.314 649 c CB 1.115 43.719 42.510 0.157 0.000 1.664 649 c HN 0.359 nan 8.230 nan 0.000 0.457 650 G N -0.107 108.972 108.800 0.464 0.000 2.646 650 G HA2 0.701 4.621 3.960 -0.068 0.000 0.291 650 G HA3 0.701 4.621 3.960 -0.068 0.000 0.291 650 G C -2.067 173.034 174.900 0.336 0.000 1.445 650 G CA -0.715 44.627 45.100 0.403 0.000 0.814 650 G HN 0.985 nan 8.290 nan 0.000 0.495 651 I N 0.867 121.601 120.570 0.274 0.000 2.418 651 I HA 0.606 4.735 4.170 -0.068 0.000 0.287 651 I C 0.297 176.496 176.117 0.137 0.000 1.008 651 I CA -0.861 60.474 61.300 0.059 0.000 1.104 651 I CB 2.183 40.216 38.000 0.056 0.000 1.264 651 I HN 0.641 nan 8.210 nan 0.000 0.438 652 A N 6.511 129.313 122.820 -0.029 0.000 2.288 652 A HA 0.788 5.067 4.320 -0.068 0.000 0.320 652 A C -0.692 176.784 177.584 -0.180 0.000 1.217 652 A CA -0.503 51.535 52.037 0.001 0.000 0.840 652 A CB 1.039 20.113 19.000 0.122 0.000 1.179 652 A HN 0.453 nan 8.150 nan 0.000 0.504 653 V N 2.244 121.995 119.914 -0.273 0.000 2.378 653 V HA 0.559 4.639 4.120 -0.068 0.000 0.288 653 V C 0.844 176.508 176.094 -0.717 0.000 1.016 653 V CA 0.347 62.264 62.300 -0.638 0.000 0.840 653 V CB 0.601 31.734 31.823 -1.150 0.000 0.994 653 V HN 2.112 nan 8.190 nan 0.000 0.431 654 A N 5.617 128.021 122.820 -0.693 0.000 2.687 654 A HA -0.097 4.182 4.320 -0.068 0.000 0.299 654 A C -1.862 175.563 177.584 -0.266 0.000 1.497 654 A CA 0.460 52.018 52.037 -0.799 0.000 0.751 654 A CB -1.587 17.112 19.000 -0.502 0.000 1.048 654 A HN 0.601 nan 8.150 nan 0.000 0.464 655 P HA 0.448 nan 4.420 nan 0.000 0.282 655 P C 0.307 177.565 177.300 -0.070 0.000 1.249 655 P CA -0.239 62.829 63.100 -0.053 0.000 0.806 655 P CB 1.243 32.941 31.700 -0.003 0.000 0.984 656 V N 2.272 122.053 119.914 -0.222 0.000 2.763 656 V HA 0.014 4.094 4.120 -0.068 0.000 0.306 656 V C 1.838 177.766 176.094 -0.277 0.000 1.059 656 V CA 1.283 63.327 62.300 -0.427 0.000 1.138 656 V CB 0.312 31.479 31.823 -1.093 0.000 0.940 656 V HN 0.862 nan 8.190 nan 0.000 0.489 657 S N 3.511 119.085 115.700 -0.210 0.000 2.665 657 S HA 0.218 4.647 4.470 -0.068 0.000 0.240 657 S C 0.545 175.017 174.600 -0.212 0.000 1.081 657 S CA -0.249 57.897 58.200 -0.091 0.000 0.887 657 S CB 0.327 63.530 63.200 0.005 0.000 0.805 657 S HN 0.849 nan 8.310 nan 0.000 0.486 658 R N -0.993 119.291 120.500 -0.360 0.000 2.548 658 R HA 0.399 4.698 4.340 -0.068 0.000 0.280 658 R C -0.853 175.179 176.300 -0.447 0.000 1.061 658 R CA -0.837 54.959 56.100 -0.507 0.000 0.915 658 R CB 0.177 30.141 30.300 -0.560 0.000 1.210 658 R HN 0.223 nan 8.270 nan 0.000 0.442 659 W N 1.698 122.936 121.300 -0.103 0.000 2.421 659 W HA -0.064 4.555 4.660 -0.068 0.000 0.270 659 W C 1.110 177.804 176.519 0.291 0.000 1.233 659 W CA 0.664 58.042 57.345 0.055 0.000 1.226 659 W CB 0.261 29.639 29.460 -0.136 0.000 1.121 659 W HN 0.729 nan 8.180 nan 0.000 0.579 660 E N -1.122 119.314 120.200 0.393 0.000 2.409 660 E HA -0.175 4.134 4.350 -0.068 0.000 0.198 660 E C 1.298 178.089 176.600 0.318 0.000 1.024 660 E CA 0.902 57.465 56.400 0.273 0.000 0.861 660 E CB -0.337 29.406 29.700 0.072 0.000 0.788 660 E HN 0.355 nan 8.360 nan 0.000 0.521 661 Y N -1.475 118.954 120.300 0.215 0.000 2.448 661 Y HA 0.094 4.603 4.550 -0.068 0.000 0.289 661 Y C 0.727 176.773 175.900 0.244 0.000 1.114 661 Y CA -0.389 57.806 58.100 0.157 0.000 1.235 661 Y CB -0.403 38.090 38.460 0.055 0.000 1.045 661 Y HN 0.025 nan 8.280 nan 0.000 0.554 662 Y N 2.074 122.574 120.300 0.333 0.000 2.334 662 Y HA 0.269 4.778 4.550 -0.068 0.000 0.325 662 Y C 0.301 176.449 175.900 0.413 0.000 1.308 662 Y CA -2.007 56.294 58.100 0.335 0.000 1.389 662 Y CB 0.292 38.976 38.460 0.374 0.000 1.328 662 Y HN 0.194 nan 8.280 nan 0.000 0.532 663 D N -0.509 119.626 120.400 -0.441 0.000 2.382 663 D HA 0.094 4.693 4.640 -0.068 0.000 0.240 663 D C 0.902 177.181 176.300 -0.036 0.000 1.146 663 D CA 0.347 54.164 54.000 -0.305 0.000 0.897 663 D CB 0.907 41.323 40.800 -0.639 0.000 1.197 663 D HN 0.476 nan 8.370 nan 0.000 0.432 664 S N 1.253 116.951 115.700 -0.004 0.000 2.356 664 S HA -0.219 4.211 4.470 -0.068 0.000 0.223 664 S C 1.913 176.532 174.600 0.032 0.000 1.032 664 S CA 1.105 59.348 58.200 0.072 0.000 1.005 664 S CB -0.970 62.283 63.200 0.088 0.000 0.867 664 S HN 0.432 nan 8.310 nan 0.000 0.449 665 V N 1.057 120.927 119.914 -0.075 0.000 2.233 665 V HA -0.212 3.867 4.120 -0.068 0.000 0.247 665 V C 2.289 178.292 176.094 -0.153 0.000 1.050 665 V CA 2.355 64.519 62.300 -0.227 0.000 1.010 665 V CB -1.112 30.430 31.823 -0.467 0.000 0.637 665 V HN 0.582 nan 8.190 nan 0.000 0.444 666 Y N 1.320 121.545 120.300 -0.124 0.000 2.114 666 Y HA -0.268 4.243 4.550 -0.067 0.000 0.284 666 Y C 2.755 178.641 175.900 -0.024 0.000 1.143 666 Y CA 2.477 60.584 58.100 0.012 0.000 1.135 666 Y CB -0.573 38.089 38.460 0.337 0.000 0.980 666 Y HN 0.262 nan 8.280 nan 0.000 0.499 667 T N 0.058 114.791 114.554 0.298 0.000 2.708 667 T HA -0.181 4.128 4.350 -0.068 0.000 0.266 667 T C 1.554 176.208 174.700 -0.077 0.000 1.037 667 T CA 1.829 64.029 62.100 0.167 0.000 1.146 667 T CB -0.296 68.831 68.868 0.432 0.000 0.865 667 T HN 0.429 nan 8.240 nan 0.000 0.435 668 E N 0.604 120.789 120.200 -0.025 0.000 2.204 668 E HA -0.045 4.265 4.350 -0.068 0.000 0.194 668 E C 2.349 178.816 176.600 -0.221 0.000 0.989 668 E CA 0.303 56.684 56.400 -0.032 0.000 0.824 668 E CB -0.101 29.631 29.700 0.053 0.000 0.756 668 E HN 0.322 nan 8.360 nan 0.000 0.477 669 R N 0.135 120.346 120.500 -0.483 0.000 2.103 669 R HA -0.213 4.086 4.340 -0.068 0.000 0.242 669 R C 1.168 176.915 176.300 -0.922 0.000 1.142 669 R CA 1.742 57.344 56.100 -0.830 0.000 0.960 669 R CB -0.028 29.417 30.300 -1.426 0.000 0.858 669 R HN 0.272 nan 8.270 nan 0.000 0.439 670 Y N -2.503 117.486 120.300 -0.519 0.000 2.462 670 Y HA 0.234 4.743 4.550 -0.068 0.000 0.253 670 Y C 1.608 177.320 175.900 -0.313 0.000 1.095 670 Y CA -0.099 57.698 58.100 -0.506 0.000 1.283 670 Y CB 0.510 38.551 38.460 -0.698 0.000 1.138 670 Y HN -0.050 nan 8.280 nan 0.000 0.522 671 M N -0.382 119.111 119.600 -0.177 0.000 2.313 671 M HA 0.371 4.811 4.480 -0.068 0.000 0.273 671 M C 1.157 177.492 176.300 0.059 0.000 1.049 671 M CA 0.696 55.902 55.300 -0.156 0.000 1.004 671 M CB -0.219 32.102 32.600 -0.464 0.000 1.461 671 M HN 0.353 nan 8.290 nan 0.000 0.514 672 G N 1.992 110.824 108.800 0.054 0.000 2.575 672 G HA2 -0.244 3.675 3.960 -0.068 0.000 0.267 672 G HA3 -0.244 3.675 3.960 -0.068 0.000 0.267 672 G C -0.649 174.370 174.900 0.199 0.000 1.264 672 G CA -0.596 44.568 45.100 0.107 0.000 0.935 672 G HN 0.281 nan 8.290 nan 0.000 0.568 673 L N 2.663 123.974 121.223 0.147 0.000 2.325 673 L HA 0.549 4.848 4.340 -0.068 0.000 0.279 673 L C -1.414 175.432 176.870 -0.041 0.000 1.054 673 L CA -1.766 53.114 54.840 0.066 0.000 0.804 673 L CB 1.543 43.613 42.059 0.018 0.000 1.200 673 L HN 0.407 nan 8.230 nan 0.000 0.436 674 P HA 0.101 nan 4.420 nan 0.000 0.228 674 P C -0.710 176.440 177.300 -0.250 0.000 1.748 674 P CA -0.149 62.549 63.100 -0.670 0.000 0.909 674 P CB -0.530 30.513 31.700 -1.094 0.000 1.882 675 T N -3.733 110.758 114.554 -0.105 0.000 2.908 675 T HA 0.466 4.776 4.350 -0.068 0.000 0.290 675 T C -2.230 172.466 174.700 -0.008 0.000 1.034 675 T CA -2.566 59.505 62.100 -0.048 0.000 1.010 675 T CB 1.881 70.731 68.868 -0.030 0.000 1.068 675 T HN -0.313 nan 8.240 nan 0.000 0.481 676 P HA -0.192 nan 4.420 nan 0.000 0.216 676 P C 1.523 178.836 177.300 0.022 0.000 1.154 676 P CA 1.227 64.336 63.100 0.015 0.000 0.865 676 P CB 0.097 31.803 31.700 0.009 0.000 0.789 677 E N -1.359 118.850 120.200 0.015 0.000 2.418 677 E HA -0.111 4.198 4.350 -0.068 0.000 0.197 677 E C 1.126 177.741 176.600 0.024 0.000 1.026 677 E CA 0.920 57.329 56.400 0.016 0.000 0.862 677 E CB -0.528 29.177 29.700 0.008 0.000 0.799 677 E HN 0.284 nan 8.360 nan 0.000 0.518 678 D N 0.952 121.372 120.400 0.033 0.000 2.818 678 D HA 0.028 4.627 4.640 -0.068 0.000 0.250 678 D C 0.340 176.690 176.300 0.084 0.000 1.496 678 D CA 0.184 54.215 54.000 0.051 0.000 1.192 678 D CB 0.120 40.950 40.800 0.050 0.000 0.963 678 D HN 0.056 nan 8.370 nan 0.000 0.259 679 N N -0.129 118.648 118.700 0.129 0.000 2.390 679 N HA 0.075 4.775 4.740 -0.068 0.000 0.259 679 N C 0.841 176.535 175.510 0.307 0.000 1.395 679 N CA -0.072 53.106 53.050 0.214 0.000 0.852 679 N CB 0.227 38.870 38.487 0.260 0.000 1.371 679 N HN 0.051 nan 8.380 nan 0.000 0.491 680 L N 0.501 121.824 121.223 0.166 0.000 2.042 680 L HA -0.092 4.207 4.340 -0.068 0.000 0.210 680 L C 1.320 178.302 176.870 0.187 0.000 1.076 680 L CA 1.940 56.857 54.840 0.128 0.000 0.749 680 L CB -0.334 41.742 42.059 0.028 0.000 0.893 680 L HN 0.148 nan 8.230 nan 0.000 0.432 681 D N -1.382 119.112 120.400 0.156 0.000 2.116 681 D HA -0.272 4.327 4.640 -0.068 0.000 0.193 681 D C 2.076 178.476 176.300 0.167 0.000 0.998 681 D CA 1.849 55.931 54.000 0.136 0.000 0.836 681 D CB -0.122 40.746 40.800 0.115 0.000 0.951 681 D HN 0.576 nan 8.370 nan 0.000 0.449 682 H N -1.163 117.983 119.070 0.125 0.000 2.436 682 H HA -0.025 4.490 4.556 -0.068 0.000 0.294 682 H C 1.723 177.126 175.328 0.124 0.000 1.048 682 H CA 1.070 57.172 56.048 0.091 0.000 1.353 682 H CB -0.194 29.589 29.762 0.035 0.000 1.414 682 H HN 0.152 nan 8.280 nan 0.000 0.536 683 Y N 0.385 120.718 120.300 0.054 0.000 2.128 683 Y HA -0.218 4.292 4.550 -0.068 0.000 0.284 683 Y C 2.472 178.365 175.900 -0.012 0.000 1.154 683 Y CA 1.547 59.682 58.100 0.057 0.000 1.149 683 Y CB 0.081 38.592 38.460 0.084 0.000 0.976 683 Y HN 0.129 nan 8.280 nan 0.000 0.505 684 R N -0.044 120.547 120.500 0.152 0.000 2.115 684 R HA -0.081 4.218 4.340 -0.068 0.000 0.230 684 R C 1.295 177.593 176.300 -0.002 0.000 1.111 684 R CA 0.981 57.117 56.100 0.059 0.000 0.976 684 R CB -0.621 29.713 30.300 0.056 0.000 0.870 684 R HN 0.510 nan 8.270 nan 0.000 0.445 685 N N 0.453 119.123 118.700 -0.050 0.000 2.353 685 N HA -0.034 4.666 4.740 -0.068 0.000 0.185 685 N C 0.504 175.927 175.510 -0.146 0.000 1.098 685 N CA 0.534 53.534 53.050 -0.083 0.000 0.872 685 N CB 0.410 38.868 38.487 -0.049 0.000 0.970 685 N HN 0.135 nan 8.380 nan 0.000 0.467 686 S N -0.276 115.308 115.700 -0.192 0.000 2.601 686 S HA 0.055 4.485 4.470 -0.068 0.000 0.244 686 S C 0.637 175.281 174.600 0.073 0.000 1.001 686 S CA -0.723 57.415 58.200 -0.103 0.000 0.984 686 S CB -0.092 62.981 63.200 -0.211 0.000 0.842 686 S HN 0.151 nan 8.310 nan 0.000 0.474 687 T N -1.459 113.097 114.554 0.003 0.000 2.874 687 T HA 0.514 4.823 4.350 -0.068 0.000 0.281 687 T C 1.247 175.937 174.700 -0.016 0.000 0.994 687 T CA -0.525 61.569 62.100 -0.011 0.000 1.015 687 T CB 1.218 70.046 68.868 -0.066 0.000 1.028 687 T HN -0.037 nan 8.240 nan 0.000 0.523 688 V N 1.524 121.423 119.914 -0.025 0.000 2.535 688 V HA -0.059 4.021 4.120 -0.068 0.000 0.246 688 V C 2.621 178.690 176.094 -0.041 0.000 1.045 688 V CA 1.311 63.587 62.300 -0.039 0.000 1.058 688 V CB -0.901 30.892 31.823 -0.049 0.000 0.689 688 V HN 0.803 nan 8.190 nan 0.000 0.461 689 M N 1.433 120.994 119.600 -0.065 0.000 2.110 689 M HA -0.216 4.224 4.480 -0.068 0.000 0.257 689 M C 2.395 178.671 176.300 -0.040 0.000 1.071 689 M CA 2.512 57.769 55.300 -0.073 0.000 1.096 689 M CB -1.165 31.403 32.600 -0.054 0.000 1.300 689 M HN 0.512 nan 8.290 nan 0.000 0.411 690 S N -0.436 115.249 115.700 -0.025 0.000 2.537 690 S HA -0.094 4.335 4.470 -0.068 0.000 0.240 690 S C 1.621 176.224 174.600 0.005 0.000 0.981 690 S CA 0.797 58.991 58.200 -0.011 0.000 0.948 690 S CB -0.608 62.584 63.200 -0.013 0.000 0.759 690 S HN 0.527 nan 8.310 nan 0.000 0.531 691 R N 0.210 120.724 120.500 0.025 0.000 2.427 691 R HA 0.433 4.732 4.340 -0.068 0.000 0.262 691 R C 2.032 178.432 176.300 0.167 0.000 0.943 691 R CA 0.431 56.566 56.100 0.059 0.000 1.081 691 R CB -0.131 30.188 30.300 0.033 0.000 1.166 691 R HN 0.482 nan 8.270 nan 0.000 0.534 692 A N 1.516 124.398 122.820 0.103 0.000 1.908 692 A HA -0.254 4.026 4.320 -0.068 0.000 0.218 692 A C 2.026 179.707 177.584 0.162 0.000 1.181 692 A CA 1.725 53.809 52.037 0.079 0.000 0.627 692 A CB -0.216 18.739 19.000 -0.075 0.000 0.818 692 A HN 0.245 nan 8.150 nan 0.000 0.445 693 E N 0.637 120.895 120.200 0.097 0.000 2.171 693 E HA -0.206 4.104 4.350 -0.068 0.000 0.197 693 E C 1.650 178.307 176.600 0.096 0.000 0.997 693 E CA 1.722 58.169 56.400 0.080 0.000 0.810 693 E CB -0.252 29.475 29.700 0.046 0.000 0.738 693 E HN 0.575 nan 8.360 nan 0.000 0.467 694 N N -0.611 118.142 118.700 0.089 0.000 2.396 694 N HA -0.087 4.613 4.740 -0.068 0.000 0.180 694 N C 0.813 176.307 175.510 -0.026 0.000 1.028 694 N CA 0.521 53.572 53.050 0.001 0.000 0.893 694 N CB -0.267 38.164 38.487 -0.093 0.000 0.967 694 N HN 0.213 nan 8.380 nan 0.000 0.440 695 F N 1.217 121.127 119.950 -0.067 0.000 2.664 695 F HA -0.015 4.471 4.527 -0.069 0.000 0.297 695 F C 1.892 177.705 175.800 0.021 0.000 1.164 695 F CA 0.622 58.585 58.000 -0.062 0.000 1.472 695 F CB -0.078 38.837 39.000 -0.141 0.000 1.108 695 F HN -0.070 nan 8.300 nan 0.000 0.596 696 K N -0.257 120.241 120.400 0.163 0.000 2.504 696 K HA -0.111 4.168 4.320 -0.068 0.000 0.195 696 K C 1.427 178.087 176.600 0.100 0.000 1.036 696 K CA 0.763 57.127 56.287 0.130 0.000 0.984 696 K CB 0.003 32.560 32.500 0.095 0.000 0.788 696 K HN 0.360 nan 8.250 nan 0.000 0.488 697 Q N -0.629 119.215 119.800 0.073 0.000 2.317 697 Q HA 0.072 4.371 4.340 -0.068 0.000 0.220 697 Q C -0.144 175.901 176.000 0.075 0.000 0.873 697 Q CA -0.183 55.654 55.803 0.056 0.000 0.936 697 Q CB 1.312 30.064 28.738 0.023 0.000 1.105 697 Q HN 0.089 nan 8.270 nan 0.000 0.520 698 V N -2.758 117.217 119.914 0.101 0.000 3.074 698 V HA 0.512 4.591 4.120 -0.068 0.000 0.314 698 V C -0.883 175.355 176.094 0.240 0.000 1.117 698 V CA -1.185 61.201 62.300 0.143 0.000 1.014 698 V CB 2.260 34.135 31.823 0.085 0.000 1.057 698 V HN -0.037 nan 8.190 nan 0.000 0.438 699 E N 1.631 121.998 120.200 0.279 0.000 2.115 699 E HA 0.383 4.693 4.350 -0.068 0.000 0.282 699 E C -1.876 175.089 176.600 0.607 0.000 0.987 699 E CA -0.366 56.262 56.400 0.380 0.000 0.797 699 E CB 1.590 31.433 29.700 0.239 0.000 1.086 699 E HN 0.700 nan 8.360 nan 0.000 0.397 700 Y N 4.095 124.651 120.300 0.427 0.000 2.328 700 Y HA 0.360 4.870 4.550 -0.066 0.000 0.336 700 Y C -1.467 174.515 175.900 0.136 0.000 0.960 700 Y CA -1.361 56.936 58.100 0.329 0.000 1.134 700 Y CB 0.776 39.463 38.460 0.378 0.000 1.166 700 Y HN 0.403 nan 8.280 nan 0.000 0.464 701 L N 7.928 128.796 121.223 -0.591 0.000 2.296 701 L HA 0.658 4.958 4.340 -0.068 0.000 0.286 701 L C -2.001 174.361 176.870 -0.847 0.000 1.023 701 L CA -0.817 53.514 54.840 -0.849 0.000 0.812 701 L CB 1.344 42.533 42.059 -1.449 0.000 1.223 701 L HN 0.658 nan 8.230 nan 0.000 0.421 702 L N 6.710 127.577 121.223 -0.593 0.000 2.372 702 L HA 0.694 4.994 4.340 -0.068 0.000 0.274 702 L C -1.436 175.307 176.870 -0.212 0.000 0.988 702 L CA -0.082 54.472 54.840 -0.477 0.000 0.833 702 L CB 1.318 43.106 42.059 -0.451 0.000 1.236 702 L HN 0.590 nan 8.230 nan 0.000 0.410 703 I N 4.383 124.833 120.570 -0.200 0.000 2.545 703 I HA 0.519 4.649 4.170 -0.068 0.000 0.292 703 I C -1.081 175.004 176.117 -0.053 0.000 1.040 703 I CA -0.671 60.562 61.300 -0.111 0.000 1.068 703 I CB 2.050 39.938 38.000 -0.186 0.000 1.251 703 I HN 0.706 nan 8.210 nan 0.000 0.424 704 H N 2.252 121.370 119.070 0.080 0.000 3.123 704 H HA 0.456 4.972 4.556 -0.067 0.000 0.346 704 H C -0.480 175.067 175.328 0.365 0.000 1.138 704 H CA -0.647 55.502 56.048 0.168 0.000 1.273 704 H CB 1.966 31.797 29.762 0.116 0.000 1.926 704 H HN 0.764 nan 8.280 nan 0.000 0.524 705 G N 1.242 110.420 108.800 0.629 0.000 2.353 705 G HA2 0.214 4.133 3.960 -0.068 0.000 0.284 705 G HA3 0.214 4.133 3.960 -0.068 0.000 0.284 705 G C 1.189 176.361 174.900 0.453 0.000 1.172 705 G CA 0.119 45.529 45.100 0.517 0.000 0.854 705 G HN 0.757 nan 8.290 nan 0.000 0.485 706 T N -0.242 114.472 114.554 0.267 0.000 2.881 706 T HA -0.044 4.266 4.350 -0.068 0.000 0.270 706 T C 1.712 176.411 174.700 -0.002 0.000 1.068 706 T CA 1.479 63.566 62.100 -0.023 0.000 1.131 706 T CB 0.069 68.884 68.868 -0.087 0.000 0.871 706 T HN 0.735 nan 8.240 nan 0.000 0.479 707 A N 1.048 123.940 122.820 0.119 0.000 2.842 707 A HA 0.327 4.606 4.320 -0.068 0.000 0.298 707 A C 0.318 177.902 177.584 0.000 0.000 1.293 707 A CA -0.523 51.564 52.037 0.083 0.000 0.959 707 A CB -0.288 19.038 19.000 0.543 0.000 1.119 707 A HN 0.401 nan 8.150 nan 0.000 0.564 708 D N 1.380 121.781 120.400 0.001 0.000 2.338 708 D HA 0.021 4.620 4.640 -0.068 0.000 0.255 708 D C 0.269 176.554 176.300 -0.025 0.000 1.237 708 D CA 0.047 54.145 54.000 0.164 0.000 0.883 708 D CB 0.783 41.825 40.800 0.402 0.000 1.087 708 D HN 0.547 nan 8.370 nan 0.000 0.485 709 D N 2.315 122.770 120.400 0.093 0.000 2.333 709 D HA -0.100 4.500 4.640 -0.068 0.000 0.208 709 D C 1.059 177.352 176.300 -0.010 0.000 0.984 709 D CA 0.062 54.086 54.000 0.041 0.000 0.873 709 D CB 0.188 41.030 40.800 0.070 0.000 0.935 709 D HN 0.425 nan 8.370 nan 0.000 0.521 710 N N 0.256 119.052 118.700 0.160 0.000 2.220 710 N HA -0.051 4.649 4.740 -0.068 0.000 0.193 710 N C -0.145 175.310 175.510 -0.092 0.000 1.052 710 N CA 0.461 53.650 53.050 0.231 0.000 0.898 710 N CB 0.507 39.097 38.487 0.172 0.000 1.080 710 N HN -0.178 nan 8.380 nan 0.000 0.467 711 V N 2.146 122.018 119.914 -0.069 0.000 2.320 711 V HA 0.175 4.255 4.120 -0.068 0.000 0.265 711 V C -0.819 175.304 176.094 0.048 0.000 1.048 711 V CA -0.234 62.047 62.300 -0.033 0.000 0.865 711 V CB -0.162 31.663 31.823 0.003 0.000 1.043 711 V HN 0.352 nan 8.190 nan 0.000 0.474 712 H N 3.130 122.185 119.070 -0.026 0.000 2.871 712 H HA 0.023 4.538 4.556 -0.068 0.000 0.355 712 H C 0.796 175.975 175.328 -0.249 0.000 1.092 712 H CA -0.030 55.916 56.048 -0.170 0.000 1.420 712 H CB 0.747 30.323 29.762 -0.311 0.000 1.400 712 H HN 0.617 nan 8.280 nan 0.000 0.604 713 F N 1.909 121.650 119.950 -0.349 0.000 2.147 713 F HA -0.325 4.161 4.527 -0.069 0.000 0.301 713 F C 2.591 178.117 175.800 -0.457 0.000 1.084 713 F CA 1.915 59.514 58.000 -0.667 0.000 1.268 713 F CB -0.219 38.561 39.000 -0.367 0.000 1.009 713 F HN 0.677 nan 8.300 nan 0.000 0.486 714 Q N 0.164 119.824 119.800 -0.233 0.000 2.182 714 Q HA -0.349 3.951 4.340 -0.068 0.000 0.213 714 Q C 2.082 177.825 176.000 -0.428 0.000 1.000 714 Q CA 2.529 58.144 55.803 -0.314 0.000 0.889 714 Q CB -0.397 28.136 28.738 -0.341 0.000 0.932 714 Q HN 0.640 nan 8.270 nan 0.000 0.415 715 Q N -0.702 118.882 119.800 -0.359 0.000 2.119 715 Q HA -0.070 4.229 4.340 -0.068 0.000 0.201 715 Q C 2.104 178.002 176.000 -0.170 0.000 0.972 715 Q CA 1.491 57.199 55.803 -0.159 0.000 0.847 715 Q CB 0.132 28.880 28.738 0.017 0.000 0.903 715 Q HN 0.316 nan 8.270 nan 0.000 0.433 716 S N 0.453 115.939 115.700 -0.356 0.000 2.470 716 S HA 0.063 4.492 4.470 -0.068 0.000 0.225 716 S C 1.864 176.200 174.600 -0.440 0.000 1.006 716 S CA 0.571 58.578 58.200 -0.323 0.000 0.934 716 S CB 0.151 63.200 63.200 -0.252 0.000 0.778 716 S HN 0.409 nan 8.310 nan 0.000 0.517 717 A N 1.052 123.513 122.820 -0.599 0.000 2.016 717 A HA -0.003 4.276 4.320 -0.068 0.000 0.217 717 A C 2.091 179.564 177.584 -0.185 0.000 1.162 717 A CA 0.727 52.530 52.037 -0.390 0.000 0.662 717 A CB -0.201 18.621 19.000 -0.297 0.000 0.812 717 A HN 0.295 nan 8.150 nan 0.000 0.450 718 Q N -0.328 119.373 119.800 -0.164 0.000 2.187 718 Q HA 0.043 4.342 4.340 -0.068 0.000 0.199 718 Q C 2.029 177.976 176.000 -0.089 0.000 0.957 718 Q CA 0.896 56.661 55.803 -0.063 0.000 0.857 718 Q CB -0.249 28.527 28.738 0.063 0.000 0.929 718 Q HN 0.762 nan 8.270 nan 0.000 0.453 719 I N 1.131 121.618 120.570 -0.137 0.000 2.163 719 I HA -0.277 3.852 4.170 -0.068 0.000 0.240 719 I C 2.563 178.502 176.117 -0.297 0.000 1.081 719 I CA 1.425 62.594 61.300 -0.219 0.000 1.353 719 I CB -0.463 37.407 38.000 -0.217 0.000 1.054 719 I HN 0.177 nan 8.210 nan 0.000 0.407 720 S N 0.973 116.522 115.700 -0.250 0.000 2.374 720 S HA -0.314 4.116 4.470 -0.068 0.000 0.227 720 S C 2.055 176.637 174.600 -0.030 0.000 1.037 720 S CA 1.718 59.819 58.200 -0.164 0.000 1.024 720 S CB -0.506 62.763 63.200 0.114 0.000 0.861 720 S HN 0.377 nan 8.310 nan 0.000 0.456 721 K N 1.401 121.779 120.400 -0.036 0.000 2.148 721 K HA 0.097 4.376 4.320 -0.068 0.000 0.204 721 K C 2.241 178.827 176.600 -0.024 0.000 1.050 721 K CA 1.001 57.286 56.287 -0.004 0.000 0.942 721 K CB -0.573 31.922 32.500 -0.009 0.000 0.724 721 K HN 0.493 nan 8.250 nan 0.000 0.446 722 A N 0.758 123.531 122.820 -0.079 0.000 1.929 722 A HA -0.054 4.226 4.320 -0.068 0.000 0.216 722 A C 1.999 179.525 177.584 -0.098 0.000 1.176 722 A CA 0.962 52.947 52.037 -0.086 0.000 0.628 722 A CB -0.426 18.502 19.000 -0.120 0.000 0.816 722 A HN 0.283 nan 8.150 nan 0.000 0.444 723 L N -0.540 120.578 121.223 -0.176 0.000 2.156 723 L HA -0.116 4.183 4.340 -0.068 0.000 0.208 723 L C 2.463 179.377 176.870 0.073 0.000 1.095 723 L CA 0.681 55.434 54.840 -0.144 0.000 0.770 723 L CB -0.404 41.388 42.059 -0.447 0.000 0.914 723 L HN 0.237 nan 8.230 nan 0.000 0.439 724 V N -0.243 119.746 119.914 0.124 0.000 2.295 724 V HA -0.282 3.798 4.120 -0.068 0.000 0.246 724 V C 2.016 178.153 176.094 0.071 0.000 1.049 724 V CA 1.867 64.249 62.300 0.136 0.000 1.024 724 V CB -0.497 31.402 31.823 0.126 0.000 0.648 724 V HN 0.426 nan 8.190 nan 0.000 0.447 725 D N 0.473 120.896 120.400 0.039 0.000 2.221 725 D HA -0.117 4.483 4.640 -0.068 0.000 0.204 725 D C 1.793 178.110 176.300 0.029 0.000 0.982 725 D CA 1.720 55.737 54.000 0.027 0.000 0.857 725 D CB -0.148 40.660 40.800 0.013 0.000 0.934 725 D HN 0.567 nan 8.370 nan 0.000 0.475 726 V N -3.728 116.205 119.914 0.032 0.000 3.542 726 V HA 0.490 4.569 4.120 -0.068 0.000 0.296 726 V C 1.328 177.455 176.094 0.056 0.000 1.364 726 V CA 0.315 62.638 62.300 0.038 0.000 1.118 726 V CB -0.096 31.748 31.823 0.035 0.000 0.972 726 V HN 0.152 nan 8.190 nan 0.000 0.430 727 G N 0.426 109.267 108.800 0.068 0.000 2.198 727 G HA2 -0.200 3.720 3.960 -0.068 0.000 0.257 727 G HA3 -0.200 3.720 3.960 -0.068 0.000 0.257 727 G C -0.006 174.957 174.900 0.105 0.000 1.042 727 G CA 0.228 45.375 45.100 0.078 0.000 0.791 727 G HN 0.770 nan 8.290 nan 0.000 0.502 728 V N 0.600 120.599 119.914 0.141 0.000 2.498 728 V HA 0.409 4.489 4.120 -0.068 0.000 0.279 728 V C 0.548 176.812 176.094 0.285 0.000 1.048 728 V CA -0.358 62.057 62.300 0.191 0.000 0.967 728 V CB 1.672 33.604 31.823 0.183 0.000 0.988 728 V HN 0.423 nan 8.190 nan 0.000 0.473 729 D N 4.283 124.820 120.400 0.230 0.000 2.304 729 D HA 0.503 5.102 4.640 -0.068 0.000 0.250 729 D C -0.521 175.983 176.300 0.341 0.000 1.107 729 D CA 0.160 54.273 54.000 0.189 0.000 0.885 729 D CB 0.595 41.451 40.800 0.094 0.000 1.192 729 D HN 0.343 nan 8.370 nan 0.000 0.436 730 F N 0.022 120.040 119.950 0.113 0.000 2.715 730 F HA 0.531 5.017 4.527 -0.069 0.000 0.318 730 F C -1.009 174.836 175.800 0.074 0.000 1.141 730 F CA -1.136 56.947 58.000 0.139 0.000 0.950 730 F CB 0.925 40.033 39.000 0.179 0.000 1.374 730 F HN 0.081 nan 8.300 nan 0.000 0.477 731 Q N 1.242 121.121 119.800 0.132 0.000 2.257 731 Q HA 0.829 5.128 4.340 -0.068 0.000 0.262 731 Q C -0.987 175.016 176.000 0.006 0.000 0.997 731 Q CA -1.121 54.675 55.803 -0.011 0.000 0.873 731 Q CB 2.318 31.075 28.738 0.032 0.000 1.312 731 Q HN 1.037 nan 8.270 nan 0.000 0.450 732 A N 1.373 124.172 122.820 -0.034 0.000 2.609 732 A HA 0.815 5.095 4.320 -0.068 0.000 0.291 732 A C -1.582 175.955 177.584 -0.079 0.000 1.096 732 A CA -0.557 51.482 52.037 0.004 0.000 0.684 732 A CB 2.117 21.208 19.000 0.153 0.000 1.282 732 A HN 0.618 nan 8.150 nan 0.000 0.412 733 M N 1.035 120.575 119.600 -0.100 0.000 2.296 733 M HA 0.554 4.994 4.480 -0.068 0.000 0.268 733 M C -2.035 174.142 176.300 -0.205 0.000 1.048 733 M CA -0.447 54.651 55.300 -0.337 0.000 0.966 733 M CB 1.066 33.364 32.600 -0.504 0.000 1.912 733 M HN 1.086 nan 8.290 nan 0.000 0.484 734 W N 4.555 125.696 121.300 -0.265 0.000 2.516 734 W HA 0.790 5.411 4.660 -0.065 0.000 0.343 734 W C -2.011 174.242 176.519 -0.444 0.000 1.094 734 W CA -0.780 56.482 57.345 -0.139 0.000 1.250 734 W CB 0.483 29.933 29.460 -0.018 0.000 1.308 734 W HN 0.610 nan 8.180 nan 0.000 0.588 735 Y N 2.386 122.839 120.300 0.256 0.000 2.447 735 Y HA 0.290 4.804 4.550 -0.060 0.000 0.325 735 Y C 0.432 176.473 175.900 0.235 0.000 0.976 735 Y CA -1.210 56.966 58.100 0.127 0.000 1.280 735 Y CB 1.170 39.681 38.460 0.085 0.000 1.104 735 Y HN 0.421 nan 8.280 nan 0.000 0.486 736 T N 4.579 119.338 114.554 0.341 0.000 2.822 736 T HA -0.023 4.286 4.350 -0.068 0.000 0.288 736 T C 0.133 174.936 174.700 0.172 0.000 0.991 736 T CA 0.723 62.977 62.100 0.258 0.000 1.176 736 T CB -0.174 68.787 68.868 0.155 0.000 0.951 736 T HN 0.683 nan 8.240 nan 0.000 0.526 737 D N 0.888 121.367 120.400 0.131 0.000 3.076 737 D HA -0.119 4.480 4.640 -0.068 0.000 0.218 737 D C 0.235 176.681 176.300 0.244 0.000 1.156 737 D CA 1.054 55.074 54.000 0.034 0.000 0.921 737 D CB -0.445 40.144 40.800 -0.351 0.000 1.113 737 D HN 0.525 nan 8.370 nan 0.000 0.418 738 E N 0.833 121.197 120.200 0.273 0.000 2.277 738 E HA 0.355 4.665 4.350 -0.068 0.000 0.274 738 E C 0.775 177.569 176.600 0.323 0.000 1.022 738 E CA -0.317 56.257 56.400 0.289 0.000 0.853 738 E CB 1.181 31.042 29.700 0.269 0.000 1.086 738 E HN 0.330 nan 8.360 nan 0.000 0.397 739 D N -0.443 120.152 120.400 0.325 0.000 2.541 739 D HA 0.007 4.606 4.640 -0.068 0.000 0.276 739 D C 1.053 177.584 176.300 0.385 0.000 1.190 739 D CA -0.174 54.042 54.000 0.359 0.000 1.095 739 D CB -0.216 40.815 40.800 0.386 0.000 1.173 739 D HN 0.427 nan 8.370 nan 0.000 0.604 740 H N -1.573 117.683 119.070 0.310 0.000 2.489 740 H HA 0.128 4.645 4.556 -0.065 0.000 0.293 740 H C 1.882 177.452 175.328 0.403 0.000 1.066 740 H CA 2.031 58.281 56.048 0.337 0.000 1.305 740 H CB -0.366 29.569 29.762 0.289 0.000 1.386 740 H HN 0.476 nan 8.280 nan 0.000 0.551 741 G N -0.132 108.808 108.800 0.234 0.000 2.623 741 G HA2 -0.019 3.900 3.960 -0.068 0.000 0.214 741 G HA3 -0.019 3.900 3.960 -0.068 0.000 0.214 741 G C 0.725 175.775 174.900 0.251 0.000 1.138 741 G CA 0.306 45.457 45.100 0.084 0.000 0.794 741 G HN 0.527 nan 8.290 nan 0.000 0.535 742 I N 0.133 120.895 120.570 0.320 0.000 5.158 742 I HA -0.340 3.790 4.170 -0.068 0.000 0.126 742 I C 1.700 177.935 176.117 0.197 0.000 1.344 742 I CA 0.102 61.540 61.300 0.230 0.000 2.637 742 I CB -1.173 36.921 38.000 0.157 0.000 2.338 742 I HN 0.243 nan 8.210 nan 0.000 0.320 743 A N 0.997 123.913 122.820 0.160 0.000 2.308 743 A HA 0.222 4.501 4.320 -0.068 0.000 0.217 743 A C 1.264 178.895 177.584 0.079 0.000 1.216 743 A CA 0.612 52.714 52.037 0.108 0.000 0.864 743 A CB 0.048 19.082 19.000 0.056 0.000 0.902 743 A HN 0.660 nan 8.150 nan 0.000 0.499 744 S N -0.488 115.272 115.700 0.099 0.000 2.572 744 S HA 0.188 4.618 4.470 -0.068 0.000 0.279 744 S C 1.221 175.868 174.600 0.077 0.000 1.341 744 S CA 0.344 58.592 58.200 0.080 0.000 1.043 744 S CB 1.097 64.353 63.200 0.093 0.000 0.887 744 S HN 0.461 nan 8.310 nan 0.000 0.516 745 S N 2.195 117.924 115.700 0.048 0.000 2.380 745 S HA -0.227 4.202 4.470 -0.068 0.000 0.229 745 S C 2.148 176.798 174.600 0.083 0.000 1.050 745 S CA 2.663 60.889 58.200 0.044 0.000 1.100 745 S CB -1.660 61.552 63.200 0.020 0.000 0.984 745 S HN 1.107 nan 8.310 nan 0.000 0.434 746 T N -0.531 114.061 114.554 0.063 0.000 2.821 746 T HA 0.197 4.507 4.350 -0.068 0.000 0.267 746 T C 1.911 176.653 174.700 0.071 0.000 1.046 746 T CA 1.364 63.500 62.100 0.059 0.000 1.139 746 T CB -0.789 68.097 68.868 0.030 0.000 0.871 746 T HN 0.481 nan 8.240 nan 0.000 0.454 747 A N 1.256 124.107 122.820 0.052 0.000 1.897 747 A HA -0.022 4.258 4.320 -0.068 0.000 0.215 747 A C 2.173 179.714 177.584 -0.072 0.000 1.181 747 A CA 1.814 53.825 52.037 -0.044 0.000 0.620 747 A CB -1.256 17.699 19.000 -0.076 0.000 0.821 747 A HN 0.745 nan 8.150 nan 0.000 0.443 748 H N -0.065 118.990 119.070 -0.024 0.000 2.319 748 H HA -0.175 4.332 4.556 -0.082 0.000 0.297 748 H C 2.084 177.495 175.328 0.138 0.000 1.097 748 H CA 2.455 58.550 56.048 0.079 0.000 1.285 748 H CB -0.128 29.686 29.762 0.086 0.000 1.368 748 H HN 0.575 nan 8.280 nan 0.000 0.495 749 Q N -1.311 118.537 119.800 0.079 0.000 2.172 749 Q HA -0.140 4.160 4.340 -0.068 0.000 0.200 749 Q C 2.125 178.150 176.000 0.042 0.000 0.964 749 Q CA 1.082 56.902 55.803 0.028 0.000 0.855 749 Q CB -0.052 28.727 28.738 0.069 0.000 0.918 749 Q HN 0.675 nan 8.270 nan 0.000 0.444 750 H N 0.489 119.537 119.070 -0.037 0.000 2.395 750 H HA -0.025 4.488 4.556 -0.072 0.000 0.299 750 H C 2.038 177.358 175.328 -0.013 0.000 1.070 750 H CA 0.980 57.030 56.048 0.004 0.000 1.356 750 H CB 0.246 30.045 29.762 0.062 0.000 1.401 750 H HN 0.275 nan 8.280 nan 0.000 0.524 751 I N 0.029 120.508 120.570 -0.152 0.000 2.286 751 I HA -0.280 3.849 4.170 -0.068 0.000 0.245 751 I C 1.762 177.608 176.117 -0.452 0.000 1.104 751 I CA 1.038 62.156 61.300 -0.303 0.000 1.397 751 I CB -0.288 37.382 38.000 -0.551 0.000 1.072 751 I HN 0.145 nan 8.210 nan 0.000 0.417 752 Y N 1.159 121.226 120.300 -0.389 0.000 2.181 752 Y HA -0.259 4.262 4.550 -0.050 0.000 0.288 752 Y C 2.709 178.391 175.900 -0.363 0.000 1.146 752 Y CA 2.144 59.922 58.100 -0.536 0.000 1.164 752 Y CB -0.723 37.457 38.460 -0.466 0.000 0.982 752 Y HN 0.182 nan 8.280 nan 0.000 0.515 753 T N -1.572 112.912 114.554 -0.117 0.000 2.652 753 T HA -0.283 4.026 4.350 -0.068 0.000 0.267 753 T C 1.523 176.095 174.700 -0.214 0.000 1.039 753 T CA 1.973 63.965 62.100 -0.180 0.000 1.153 753 T CB -0.605 68.184 68.868 -0.132 0.000 0.863 753 T HN 0.418 nan 8.240 nan 0.000 0.428 754 H N 0.994 119.911 119.070 -0.255 0.000 2.319 754 H HA 0.045 4.559 4.556 -0.070 0.000 0.299 754 H C 2.217 177.495 175.328 -0.084 0.000 1.092 754 H CA 1.646 57.602 56.048 -0.154 0.000 1.302 754 H CB -0.306 29.303 29.762 -0.255 0.000 1.373 754 H HN 0.257 nan 8.280 nan 0.000 0.497 755 M N -0.793 118.698 119.600 -0.181 0.000 2.117 755 M HA -0.164 4.275 4.480 -0.068 0.000 0.262 755 M C 2.379 178.756 176.300 0.129 0.000 1.065 755 M CA 1.595 56.783 55.300 -0.186 0.000 1.114 755 M CB -0.124 32.070 32.600 -0.677 0.000 1.361 755 M HN 0.217 nan 8.290 nan 0.000 0.408 756 S N -0.649 115.155 115.700 0.174 0.000 2.382 756 S HA -0.152 4.278 4.470 -0.068 0.000 0.228 756 S C 1.562 176.253 174.600 0.152 0.000 1.027 756 S CA 1.196 59.603 58.200 0.346 0.000 0.991 756 S CB -0.611 62.813 63.200 0.373 0.000 0.823 756 S HN 0.562 nan 8.310 nan 0.000 0.469 757 H N -0.419 118.700 119.070 0.082 0.000 2.321 757 H HA -0.038 4.480 4.556 -0.063 0.000 0.300 757 H C 1.944 177.267 175.328 -0.008 0.000 1.087 757 H CA 1.627 57.679 56.048 0.006 0.000 1.319 757 H CB -0.206 29.506 29.762 -0.082 0.000 1.379 757 H HN 0.379 nan 8.280 nan 0.000 0.501 758 F N 0.989 120.911 119.950 -0.045 0.000 2.134 758 F HA -0.221 4.264 4.527 -0.070 0.000 0.299 758 F C 2.043 177.793 175.800 -0.084 0.000 1.097 758 F CA 1.038 58.983 58.000 -0.093 0.000 1.264 758 F CB -0.165 38.751 39.000 -0.139 0.000 1.001 758 F HN 0.072 nan 8.300 nan 0.000 0.479 759 I N 0.584 121.162 120.570 0.013 0.000 2.202 759 I HA -0.248 3.881 4.170 -0.068 0.000 0.242 759 I C 2.242 178.193 176.117 -0.276 0.000 1.091 759 I CA 1.436 62.604 61.300 -0.221 0.000 1.368 759 I CB -1.200 36.765 38.000 -0.057 0.000 1.058 759 I HN 0.196 nan 8.210 nan 0.000 0.410 760 K N 0.280 120.649 120.400 -0.052 0.000 2.103 760 K HA -0.254 4.026 4.320 -0.068 0.000 0.207 760 K C 2.053 178.644 176.600 -0.015 0.000 1.048 760 K CA 1.490 57.792 56.287 0.025 0.000 0.930 760 K CB -0.194 32.364 32.500 0.096 0.000 0.716 760 K HN 0.353 nan 8.250 nan 0.000 0.444 761 Q N 0.678 120.423 119.800 -0.090 0.000 2.050 761 Q HA -0.212 4.088 4.340 -0.068 0.000 0.202 761 Q C 2.281 178.176 176.000 -0.175 0.000 0.980 761 Q CA 1.868 57.596 55.803 -0.124 0.000 0.840 761 Q CB -0.280 28.361 28.738 -0.162 0.000 0.898 761 Q HN 0.440 nan 8.270 nan 0.000 0.424 762 c N -0.182 118.205 118.600 -0.355 0.000 2.432 762 c HA -0.012 4.517 4.570 -0.068 0.000 0.280 762 c C 1.748 175.816 174.090 -0.037 0.000 1.353 762 c CA 0.207 56.335 56.329 -0.336 0.000 1.766 762 c CB -1.166 40.969 42.510 -0.625 0.000 1.924 762 c HN 0.648 nan 8.230 nan 0.000 0.509 763 F N 1.711 121.617 119.950 -0.074 0.000 2.727 763 F HA 0.243 4.728 4.527 -0.069 0.000 0.302 763 F C 1.648 177.430 175.800 -0.030 0.000 1.097 763 F CA 0.390 58.369 58.000 -0.035 0.000 1.330 763 F CB -0.943 38.045 39.000 -0.021 0.000 1.084 763 F HN 0.281 nan 8.300 nan 0.000 0.578 764 S N 0.368 116.147 115.700 0.132 0.000 3.698 764 S HA -0.225 4.204 4.470 -0.068 0.000 0.338 764 S C -0.033 174.609 174.600 0.070 0.000 1.089 764 S CA 0.018 58.259 58.200 0.069 0.000 0.991 764 S CB -2.546 60.685 63.200 0.051 0.000 0.909 764 S HN 0.252 nan 8.310 nan 0.000 0.485 765 L N 1.472 122.750 121.223 0.092 0.000 2.276 765 L HA 0.430 4.729 4.340 -0.068 0.000 0.286 765 L C -1.332 175.577 176.870 0.066 0.000 1.061 765 L CA -1.981 52.907 54.840 0.080 0.000 0.807 765 L CB 0.315 42.435 42.059 0.102 0.000 1.177 765 L HN 0.025 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.130 63.100 0.051 0.000 0.800 766 P CB 0.000 31.724 31.700 0.041 0.000 0.726