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 1ofe_1_A DATA FIRST_RESID 1 DATA SEQUENCE CGVGFIANLR GKPDHTLVEQ ALKALGCMEH RGGCSADNDS GDGAGVMTAI DATA SEQUENCE PRELLAQWFN TRNLPMPDGD RLGVGMVFLP QEPSAREVAR AYVEEVVRLE DATA SEQUENCE KLTVLGWREV PVNSDVLGIQ AKNNQPHIEQ ILVTCPEGCA GDELDRRLYI DATA SEQUENCE ARSIIGKKLA EDFYVCSFSC RTIVYKGMVR SIILGEFYLD LKNPGYTSNF DATA SEQUENCE AVYHRRFSTN TMPKWPLAQP MRLLGHNGEI NTLLGNINWM AAREKELEVS DATA SEQUENCE GWTKAELEAL TPIVNQANSD SYNLDSALEL LVRTGRSPLE AAMILVPEAY DATA SEQUENCE KNQPALKDYP EISDFHDYYS GLQEPWDGPA LLVFSDGKIV GAGLDRNGLR DATA SEQUENCE PARYCITKDD YIVLGSEAGV VDLPEVDIVE KGRLAPGQMI AVDLAEQKIL DATA SEQUENCE KNYQIKQQAA QKYPYGEWIK IQRQTVASDS FAEKTLFNDA QTVLQQQAAF DATA SEQUENCE GYTAEDVEMV VVPMASQGKE PTFCMGDDTP LAVLSHKPRL LYDYFKQRFA DATA SEQUENCE QVTNPPIDPL RENLVMSLAM FLGKRGNLLE PKAESARTIK LRSPLVNEVE DATA SEQUENCE LQAIKTGQLQ VAEVSTLYDX XXXNSLEDAL TNLVKTAIAT VQAGAEILVL DATA SEQUENCE TDRPNGAILT ENQSFIPPLL AVGAVHHHLI RAGLRLKASL IVDTAQCWST DATA SEQUENCE HHFACLVGYG ASAICPYLAL ESVRQWWLDE KTQKLMENGR LXXIDLPTAL DATA SEQUENCE KNYRQSVEAG LFKILSKMGI SLLASYHGAQ IFEAIGLGAE LVEYAFAGTT DATA SEQUENCE SRVGGLTIAD VAGEVMVFHG MAFXXXXKKL ENFGFVNYRP GGEYHMNSPE DATA SEQUENCE MSKSLHKAVA AYXXXXXXXX XXXXDHYELY RQYLKDRPVT ALRDLLDFNA DATA SEQUENCE DQPAISLEEV ESVESIVKRF CTGGMSLGAL SREAHETLAI AMNRLGAKSN DATA SEQUENCE SGEGGEDVVR YLTLDDVDSE GNSPTLPHLH GLQNGDTANS AIKQIASGRF DATA SEQUENCE GVTPEYLMSG KQLEIKMAQG AKPGEGGQLP GKKVSEYIAM LRRSKPGVTL DATA SEQUENCE ISPPPHHDIY SIEDLAQLIY DLHQINPEAQ VSVKLVAEIG IGTIAAGVAK DATA SEQUENCE ANADIIQISG HDGGTGASPL SSIKHAGSPW ELGVTEVHRV LMENQLRDRV DATA SEQUENCE LLRADGGLKT GWDVVMAALM GAEEYGFGSI AMIAEGCIMA RVCHTNNCPV DATA SEQUENCE GVATQQERLR QRFKGVPGQV VNFFYFIAEE VRSLLAHLGY RSLDDIIGRT DATA SEQUENCE DLLKVRSDVQ LSKTQNLTLD CLLNLPDTKQ NRQWLNHEPV HSNGPVLDDD DATA SEQUENCE ILADPDIQEA INHQTTATKT YRLVNTDRTV GTRLSGAIAK KYGNNGFEGN DATA SEQUENCE ITLNFQGAAG QSFGAFNLDG MTLHLQGEAN DYVGKGMNGG EIVIVPHPQA DATA SEQUENCE SFAPEDNVII GNTCLYGATG GNLYANGRAG ERFAVRNSVG KAVIEGAGDH DATA SEQUENCE CCEYMTGGVI VVLGPVGRNV GAGMTGGLAY FLDEVGDLPE KINPEIITLQ DATA SEQUENCE RITASKGEEQ LKSLITAHVE HTGSPKGKAI LANWSDYLGK FWQAVPPSEK DATA SEQUENCE DSPEANN 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.915 174.990 -0.126 0.000 1.270 1 C CA 0.000 58.978 59.018 -0.066 0.000 1.963 1 C CB 0.000 27.690 27.740 -0.083 0.000 2.134 2 G N 0.282 108.952 108.800 -0.216 0.000 2.571 2 G HA2 0.801 4.765 3.960 0.005 0.000 0.304 2 G HA3 0.801 4.765 3.960 0.005 0.000 0.304 2 G C -1.753 173.056 174.900 -0.151 0.000 1.314 2 G CA -0.391 44.631 45.100 -0.129 0.000 0.975 2 G HN 1.089 nan 8.290 nan 0.000 0.485 3 V N 0.040 119.914 119.914 -0.067 0.000 3.178 3 V HA 0.999 5.122 4.120 0.005 0.000 0.302 3 V C 0.044 175.927 176.094 -0.352 0.000 1.262 3 V CA 0.585 62.798 62.300 -0.144 0.000 1.030 3 V CB 2.238 34.071 31.823 0.017 0.000 1.074 3 V HN 1.823 nan 8.190 nan 0.000 0.438 4 G N 2.771 111.099 108.800 -0.786 0.000 2.349 4 G HA2 0.687 4.650 3.960 0.005 0.000 0.294 4 G HA3 0.687 4.650 3.960 0.005 0.000 0.294 4 G C -1.784 172.735 174.900 -0.635 0.000 1.380 4 G CA 0.051 44.651 45.100 -0.833 0.000 0.811 4 G HN 1.780 nan 8.290 nan 0.000 0.519 5 F N -1.220 118.546 119.950 -0.306 0.000 2.668 5 F HA 0.887 5.417 4.527 0.005 0.000 0.309 5 F C -1.499 174.343 175.800 0.070 0.000 1.117 5 F CA -1.683 56.274 58.000 -0.071 0.000 0.951 5 F CB 1.327 40.281 39.000 -0.077 0.000 1.323 5 F HN 0.508 nan 8.300 nan 0.000 0.451 6 I N 2.208 123.019 120.570 0.402 0.000 2.582 6 I HA 0.792 4.965 4.170 0.005 0.000 0.292 6 I C -0.850 175.415 176.117 0.246 0.000 1.066 6 I CA -1.193 60.230 61.300 0.205 0.000 1.053 6 I CB 2.112 40.200 38.000 0.148 0.000 1.241 6 I HN 1.012 nan 8.210 nan 0.000 0.421 7 A N 3.834 126.681 122.820 0.046 0.000 2.393 7 A HA 0.653 4.976 4.320 0.005 0.000 0.306 7 A C -1.123 176.219 177.584 -0.404 0.000 1.050 7 A CA -0.574 51.442 52.037 -0.035 0.000 0.724 7 A CB 1.435 20.479 19.000 0.074 0.000 1.248 7 A HN 0.652 nan 8.150 nan 0.000 0.424 8 N N 3.099 121.640 118.700 -0.264 0.000 2.707 8 N HA 0.297 5.040 4.740 0.005 0.000 0.235 8 N C 0.483 175.983 175.510 -0.017 0.000 1.028 8 N CA -0.564 52.361 53.050 -0.209 0.000 0.906 8 N CB 0.299 38.787 38.487 0.001 0.000 1.131 8 N HN 0.579 nan 8.380 nan 0.000 0.509 9 L N 1.834 123.056 121.223 -0.003 0.000 2.109 9 L HA 0.058 4.401 4.340 0.005 0.000 0.207 9 L C 1.819 178.716 176.870 0.046 0.000 1.086 9 L CA 0.837 55.689 54.840 0.020 0.000 0.760 9 L CB -0.059 42.010 42.059 0.016 0.000 0.910 9 L HN 0.456 nan 8.230 nan 0.000 0.437 10 R N -0.350 120.196 120.500 0.075 0.000 2.237 10 R HA 0.153 4.496 4.340 0.005 0.000 0.195 10 R C 0.985 177.329 176.300 0.074 0.000 0.956 10 R CA 0.278 56.422 56.100 0.072 0.000 1.029 10 R CB 0.408 30.756 30.300 0.080 0.000 0.972 10 R HN 0.265 nan 8.270 nan 0.000 0.493 11 G N 0.620 109.477 108.800 0.096 0.000 2.552 11 G HA2 0.281 4.244 3.960 0.005 0.000 0.318 11 G HA3 0.281 4.244 3.960 0.005 0.000 0.318 11 G C -0.864 174.083 174.900 0.078 0.000 1.240 11 G CA -0.650 44.504 45.100 0.090 0.000 1.002 11 G HN -0.019 nan 8.290 nan 0.000 0.493 12 K N 1.382 121.824 120.400 0.070 0.000 2.436 12 K HA 0.150 4.473 4.320 0.005 0.000 0.275 12 K C -2.028 174.620 176.600 0.079 0.000 0.999 12 K CA -0.761 55.564 56.287 0.064 0.000 0.980 12 K CB 0.504 33.037 32.500 0.056 0.000 0.919 12 K HN 0.264 nan 8.250 nan 0.000 0.484 13 P HA -0.051 nan 4.420 nan 0.000 0.266 13 P C -1.225 176.133 177.300 0.096 0.000 1.195 13 P CA 0.110 63.261 63.100 0.085 0.000 0.768 13 P CB 0.615 32.356 31.700 0.068 0.000 0.838 14 D N -0.881 119.590 120.400 0.119 0.000 2.559 14 D HA 0.128 4.771 4.640 0.005 0.000 0.250 14 D C 0.864 177.273 176.300 0.181 0.000 1.135 14 D CA -0.729 53.354 54.000 0.139 0.000 0.955 14 D CB 0.331 41.209 40.800 0.129 0.000 1.442 14 D HN 0.418 nan 8.370 nan 0.000 0.471 15 H N -0.337 118.781 119.070 0.080 0.000 2.423 15 H HA -0.081 4.478 4.556 0.006 0.000 0.297 15 H C 0.859 176.221 175.328 0.057 0.000 1.075 15 H CA 1.721 57.813 56.048 0.072 0.000 1.342 15 H CB 0.404 30.202 29.762 0.060 0.000 1.395 15 H HN 0.459 nan 8.280 nan 0.000 0.530 16 T N 2.534 117.133 114.554 0.075 0.000 2.653 16 T HA -0.197 4.157 4.350 0.005 0.000 0.268 16 T C 2.127 176.825 174.700 -0.003 0.000 1.035 16 T CA 1.267 63.376 62.100 0.015 0.000 1.154 16 T CB -0.484 68.416 68.868 0.052 0.000 0.862 16 T HN 0.202 nan 8.240 nan 0.000 0.441 17 L N 1.749 123.012 121.223 0.066 0.000 2.012 17 L HA -0.077 4.266 4.340 0.005 0.000 0.210 17 L C 2.478 179.335 176.870 -0.022 0.000 1.073 17 L CA 1.745 56.639 54.840 0.090 0.000 0.748 17 L CB -1.419 40.712 42.059 0.121 0.000 0.891 17 L HN 0.181 nan 8.230 nan 0.000 0.431 18 V N 0.587 120.435 119.914 -0.111 0.000 2.332 18 V HA -0.293 3.830 4.120 0.005 0.000 0.248 18 V C 2.621 178.550 176.094 -0.274 0.000 1.055 18 V CA 1.962 64.129 62.300 -0.221 0.000 1.038 18 V CB -0.653 30.990 31.823 -0.300 0.000 0.651 18 V HN 0.486 nan 8.190 nan 0.000 0.450 19 E N -0.157 119.835 120.200 -0.348 0.000 2.058 19 E HA -0.300 4.053 4.350 0.005 0.000 0.194 19 E C 2.335 178.852 176.600 -0.138 0.000 0.997 19 E CA 1.583 57.837 56.400 -0.244 0.000 0.801 19 E CB -0.227 29.352 29.700 -0.203 0.000 0.746 19 E HN 0.676 nan 8.360 nan 0.000 0.450 20 Q N 0.177 119.923 119.800 -0.090 0.000 2.124 20 Q HA -0.150 4.193 4.340 0.005 0.000 0.202 20 Q C 2.220 178.160 176.000 -0.100 0.000 0.977 20 Q CA 1.316 57.088 55.803 -0.053 0.000 0.850 20 Q CB -0.170 28.586 28.738 0.029 0.000 0.901 20 Q HN 0.254 nan 8.270 nan 0.000 0.429 21 A N 0.708 123.469 122.820 -0.098 0.000 1.933 21 A HA -0.145 4.179 4.320 0.005 0.000 0.218 21 A C 2.024 179.461 177.584 -0.245 0.000 1.175 21 A CA 1.017 52.962 52.037 -0.153 0.000 0.628 21 A CB -0.552 18.432 19.000 -0.027 0.000 0.814 21 A HN 0.281 nan 8.150 nan 0.000 0.444 22 L N -0.952 120.167 121.223 -0.172 0.000 2.056 22 L HA -0.155 4.188 4.340 0.005 0.000 0.207 22 L C 2.626 179.407 176.870 -0.148 0.000 1.078 22 L CA 1.847 56.601 54.840 -0.143 0.000 0.749 22 L CB -0.412 41.582 42.059 -0.109 0.000 0.901 22 L HN 0.427 nan 8.230 nan 0.000 0.433 23 K N 0.291 120.608 120.400 -0.139 0.000 2.097 23 K HA -0.148 4.176 4.320 0.005 0.000 0.205 23 K C 2.127 178.632 176.600 -0.160 0.000 1.050 23 K CA 1.185 57.403 56.287 -0.115 0.000 0.938 23 K CB -0.020 32.432 32.500 -0.080 0.000 0.718 23 K HN 0.261 nan 8.250 nan 0.000 0.442 24 A N 1.227 123.886 122.820 -0.268 0.000 1.898 24 A HA -0.120 4.204 4.320 0.005 0.000 0.216 24 A C 2.074 179.419 177.584 -0.399 0.000 1.181 24 A CA 1.041 52.864 52.037 -0.357 0.000 0.620 24 A CB -0.597 18.071 19.000 -0.553 0.000 0.819 24 A HN 0.326 nan 8.150 nan 0.000 0.442 25 L N -0.587 120.337 121.223 -0.498 0.000 2.013 25 L HA -0.216 4.127 4.340 0.005 0.000 0.212 25 L C 2.810 179.607 176.870 -0.122 0.000 1.073 25 L CA 1.422 56.103 54.840 -0.265 0.000 0.753 25 L CB -0.860 41.095 42.059 -0.174 0.000 0.890 25 L HN 0.516 nan 8.230 nan 0.000 0.432 26 G N -1.061 107.676 108.800 -0.105 0.000 2.503 26 G HA2 -0.311 3.652 3.960 0.005 0.000 0.221 26 G HA3 -0.311 3.652 3.960 0.005 0.000 0.221 26 G C 1.489 176.376 174.900 -0.022 0.000 1.131 26 G CA 1.127 46.196 45.100 -0.052 0.000 0.756 26 G HN 0.492 nan 8.290 nan 0.000 0.572 27 C N 0.776 120.056 119.300 -0.032 0.000 2.456 27 C HA 0.219 4.683 4.460 0.005 0.000 0.279 27 C C 2.419 177.462 174.990 0.090 0.000 1.427 27 C CA 0.347 59.383 59.018 0.031 0.000 1.778 27 C CB -0.541 27.207 27.740 0.013 0.000 1.842 27 C HN 0.403 nan 8.230 nan 0.000 0.531 28 M N 0.391 119.989 119.600 -0.003 0.000 2.428 28 M HA 0.076 4.559 4.480 0.005 0.000 0.239 28 M C 1.746 177.943 176.300 -0.172 0.000 1.121 28 M CA 0.527 55.765 55.300 -0.102 0.000 1.019 28 M CB -0.896 31.666 32.600 -0.064 0.000 1.485 28 M HN 0.318 nan 8.290 nan 0.000 0.484 29 E N 1.894 122.071 120.200 -0.037 0.000 2.114 29 E HA -0.243 4.110 4.350 0.005 0.000 0.199 29 E C 1.928 178.497 176.600 -0.052 0.000 1.008 29 E CA 1.973 58.353 56.400 -0.034 0.000 0.810 29 E CB -0.370 29.336 29.700 0.010 0.000 0.739 29 E HN 0.633 nan 8.360 nan 0.000 0.456 30 H N -0.348 118.709 119.070 -0.022 0.000 2.543 30 H HA 0.045 4.604 4.556 0.005 0.000 0.286 30 H C 1.250 176.593 175.328 0.025 0.000 1.037 30 H CA 1.129 57.167 56.048 -0.016 0.000 1.250 30 H CB -0.176 29.553 29.762 -0.056 0.000 1.373 30 H HN 0.193 nan 8.280 nan 0.000 0.580 31 R N 0.797 120.978 120.500 -0.532 0.000 2.297 31 R HA 0.166 4.510 4.340 0.005 0.000 0.197 31 R C 1.024 177.333 176.300 0.014 0.000 0.943 31 R CA 0.401 56.360 56.100 -0.235 0.000 1.038 31 R CB 0.587 30.707 30.300 -0.300 0.000 0.957 31 R HN 0.279 nan 8.270 nan 0.000 0.484 32 G N -0.300 108.460 108.800 -0.068 0.000 2.531 32 G HA2 0.562 4.525 3.960 0.005 0.000 0.313 32 G HA3 0.562 4.525 3.960 0.005 0.000 0.313 32 G C -0.599 174.050 174.900 -0.418 0.000 1.238 32 G CA -0.366 44.662 45.100 -0.119 0.000 0.994 32 G HN 0.176 nan 8.290 nan 0.000 0.493 33 G N -2.283 106.134 108.800 -0.638 0.000 2.658 33 G HA2 0.521 4.484 3.960 0.005 0.000 0.292 33 G HA3 0.521 4.484 3.960 0.005 0.000 0.292 33 G C -1.464 173.172 174.900 -0.441 0.000 1.320 33 G CA -0.410 44.141 45.100 -0.916 0.000 0.933 33 G HN 0.832 nan 8.290 nan 0.000 0.476 34 C N -0.732 118.358 119.300 -0.351 0.000 2.898 34 C HA 0.783 5.246 4.460 0.005 0.000 0.304 34 C C 0.842 175.742 174.990 -0.150 0.000 1.237 34 C CA -0.480 58.416 59.018 -0.203 0.000 1.529 34 C CB 1.560 29.207 27.740 -0.155 0.000 2.021 34 C HN 0.804 nan 8.230 nan 0.000 0.474 35 S N 0.833 116.469 115.700 -0.105 0.000 2.626 35 S HA 0.348 4.821 4.470 0.005 0.000 0.257 35 S C 1.342 175.911 174.600 -0.050 0.000 1.288 35 S CA 0.197 58.357 58.200 -0.066 0.000 0.980 35 S CB 0.450 63.619 63.200 -0.051 0.000 0.975 35 S HN 0.968 nan 8.310 nan 0.000 0.577 36 A N 1.226 124.028 122.820 -0.030 0.000 1.978 36 A HA -0.171 4.152 4.320 0.005 0.000 0.220 36 A C 1.559 179.132 177.584 -0.018 0.000 1.170 36 A CA 2.020 54.045 52.037 -0.019 0.000 0.636 36 A CB -1.016 17.978 19.000 -0.009 0.000 0.810 36 A HN 0.882 nan 8.150 nan 0.000 0.448 37 D N -0.863 119.524 120.400 -0.020 0.000 2.378 37 D HA -0.143 4.500 4.640 0.005 0.000 0.222 37 D C 0.341 176.626 176.300 -0.024 0.000 0.980 37 D CA 0.707 54.697 54.000 -0.017 0.000 0.907 37 D CB -0.748 40.044 40.800 -0.014 0.000 0.899 37 D HN 0.357 nan 8.370 nan 0.000 0.527 38 N N -0.133 118.545 118.700 -0.036 0.000 2.708 38 N HA -0.208 4.536 4.740 0.005 0.000 0.251 38 N C 0.019 175.502 175.510 -0.046 0.000 1.123 38 N CA 1.451 54.474 53.050 -0.044 0.000 0.739 38 N CB -0.995 37.472 38.487 -0.033 0.000 1.113 38 N HN 0.522 nan 8.380 nan 0.000 0.561 39 D N -1.089 119.282 120.400 -0.048 0.000 2.954 39 D HA 0.136 4.780 4.640 0.005 0.000 0.266 39 D C -0.266 175.996 176.300 -0.063 0.000 1.277 39 D CA 0.400 54.373 54.000 -0.045 0.000 1.130 39 D CB -0.137 40.646 40.800 -0.028 0.000 1.440 39 D HN 0.058 nan 8.370 nan 0.000 0.427 40 S N 0.424 116.084 115.700 -0.067 0.000 2.558 40 S HA 0.490 4.963 4.470 0.005 0.000 0.288 40 S C 0.559 175.084 174.600 -0.126 0.000 1.318 40 S CA 0.112 58.253 58.200 -0.097 0.000 1.056 40 S CB 1.127 64.281 63.200 -0.077 0.000 0.853 40 S HN 0.335 nan 8.310 nan 0.000 0.505 41 G N 0.765 109.465 108.800 -0.165 0.000 2.389 41 G HA2 0.337 4.300 3.960 0.005 0.000 0.317 41 G HA3 0.337 4.300 3.960 0.005 0.000 0.317 41 G C 0.048 174.840 174.900 -0.179 0.000 1.137 41 G CA -0.677 44.322 45.100 -0.168 0.000 0.870 41 G HN 0.609 nan 8.290 nan 0.000 0.496 42 D N 0.038 120.343 120.400 -0.157 0.000 2.309 42 D HA 0.159 4.803 4.640 0.005 0.000 0.212 42 D C 1.330 177.579 176.300 -0.085 0.000 0.968 42 D CA 1.821 55.754 54.000 -0.113 0.000 0.882 42 D CB 0.245 40.987 40.800 -0.096 0.000 0.918 42 D HN 0.827 nan 8.370 nan 0.000 0.503 43 G N -1.101 107.640 108.800 -0.098 0.000 2.301 43 G HA2 0.488 4.451 3.960 0.005 0.000 0.290 43 G HA3 0.488 4.451 3.960 0.005 0.000 0.290 43 G C -1.706 173.202 174.900 0.013 0.000 1.669 43 G CA -0.266 44.802 45.100 -0.054 0.000 0.945 43 G HN 0.305 nan 8.290 nan 0.000 0.710 44 A N -0.193 122.646 122.820 0.030 0.000 2.594 44 A HA 1.169 5.492 4.320 0.005 0.000 0.295 44 A C 0.137 177.821 177.584 0.166 0.000 1.071 44 A CA 0.235 52.337 52.037 0.108 0.000 0.685 44 A CB 1.667 20.701 19.000 0.056 0.000 1.285 44 A HN 2.614 nan 8.150 nan 0.000 0.405 45 G N -1.285 107.647 108.800 0.221 0.000 2.550 45 G HA2 0.696 4.660 3.960 0.005 0.000 0.293 45 G HA3 0.696 4.660 3.960 0.005 0.000 0.293 45 G C -1.960 173.077 174.900 0.229 0.000 1.402 45 G CA 0.133 45.375 45.100 0.237 0.000 0.784 45 G HN 1.910 nan 8.290 nan 0.000 0.482 46 V N 0.413 120.449 119.914 0.202 0.000 2.932 46 V HA 0.789 4.913 4.120 0.005 0.000 0.307 46 V C -0.958 175.223 176.094 0.144 0.000 1.147 46 V CA -0.820 61.581 62.300 0.169 0.000 0.951 46 V CB 1.956 33.840 31.823 0.100 0.000 1.031 46 V HN 1.001 nan 8.190 nan 0.000 0.426 47 M N 5.900 125.573 119.600 0.122 0.000 2.364 47 M HA 0.768 5.251 4.480 0.005 0.000 0.334 47 M C -0.493 175.759 176.300 -0.080 0.000 1.107 47 M CA 0.001 55.359 55.300 0.097 0.000 0.988 47 M CB 1.762 34.460 32.600 0.164 0.000 1.673 47 M HN 0.952 nan 8.290 nan 0.000 0.441 48 T N 1.466 115.925 114.554 -0.159 0.000 2.812 48 T HA 0.819 5.172 4.350 0.005 0.000 0.294 48 T C -0.311 174.129 174.700 -0.434 0.000 1.159 48 T CA -0.818 60.962 62.100 -0.533 0.000 1.008 48 T CB 1.225 70.034 68.868 -0.100 0.000 1.289 48 T HN 0.863 nan 8.240 nan 0.000 0.514 49 A N 0.882 123.398 122.820 -0.506 0.000 2.466 49 A HA 0.509 4.832 4.320 0.005 0.000 0.238 49 A C 0.612 178.185 177.584 -0.017 0.000 1.074 49 A CA -0.565 51.464 52.037 -0.014 0.000 0.774 49 A CB -0.740 18.311 19.000 0.084 0.000 1.015 49 A HN 0.869 nan 8.150 nan 0.000 0.498 50 I N 2.611 123.189 120.570 0.014 0.000 2.828 50 I HA 0.024 4.197 4.170 0.005 0.000 0.292 50 I C -1.495 174.550 176.117 -0.118 0.000 1.206 50 I CA -0.653 60.624 61.300 -0.038 0.000 1.420 50 I CB 0.634 38.625 38.000 -0.015 0.000 1.368 50 I HN 0.427 nan 8.210 nan 0.000 0.556 51 P HA 0.153 nan 4.420 nan 0.000 0.247 51 P C 0.414 177.585 177.300 -0.215 0.000 1.756 51 P CA -0.200 62.646 63.100 -0.423 0.000 1.117 51 P CB 0.395 31.434 31.700 -1.102 0.000 1.869 52 R N 2.118 122.549 120.500 -0.115 0.000 2.083 52 R HA -0.192 4.151 4.340 0.005 0.000 0.237 52 R C 1.970 178.255 176.300 -0.025 0.000 1.137 52 R CA 1.681 57.749 56.100 -0.053 0.000 0.951 52 R CB -0.123 30.152 30.300 -0.041 0.000 0.851 52 R HN 0.359 nan 8.270 nan 0.000 0.434 53 E N -0.004 120.178 120.200 -0.031 0.000 2.204 53 E HA -0.205 4.148 4.350 0.005 0.000 0.195 53 E C 1.799 178.404 176.600 0.009 0.000 0.990 53 E CA 0.792 57.191 56.400 -0.002 0.000 0.821 53 E CB 0.074 29.773 29.700 -0.000 0.000 0.750 53 E HN 0.176 nan 8.360 nan 0.000 0.477 54 L N 0.452 121.655 121.223 -0.033 0.000 2.068 54 L HA -0.062 4.282 4.340 0.005 0.000 0.204 54 L C 2.007 178.924 176.870 0.079 0.000 1.076 54 L CA 1.446 56.287 54.840 0.002 0.000 0.753 54 L CB -0.267 41.749 42.059 -0.071 0.000 0.910 54 L HN 0.182 nan 8.230 nan 0.000 0.439 55 L N -0.681 120.590 121.223 0.081 0.000 2.376 55 L HA 0.004 4.347 4.340 0.005 0.000 0.219 55 L C 2.512 179.600 176.870 0.362 0.000 1.133 55 L CA 0.650 55.609 54.840 0.200 0.000 0.816 55 L CB -1.053 41.095 42.059 0.149 0.000 0.933 55 L HN 0.277 nan 8.230 nan 0.000 0.449 56 A N 0.267 123.226 122.820 0.231 0.000 2.076 56 A HA -0.192 4.132 4.320 0.005 0.000 0.220 56 A C 2.344 180.083 177.584 0.257 0.000 1.160 56 A CA 1.245 53.423 52.037 0.235 0.000 0.653 56 A CB -0.245 18.819 19.000 0.106 0.000 0.801 56 A HN 0.517 nan 8.150 nan 0.000 0.455 57 Q N -1.813 118.118 119.800 0.217 0.000 2.123 57 Q HA -0.214 4.129 4.340 0.005 0.000 0.199 57 Q C 1.997 178.115 176.000 0.197 0.000 0.966 57 Q CA 1.451 57.357 55.803 0.172 0.000 0.845 57 Q CB -0.472 28.345 28.738 0.132 0.000 0.907 57 Q HN 0.915 nan 8.270 nan 0.000 0.439 58 W N 1.079 122.418 121.300 0.065 0.000 2.355 58 W HA -0.193 4.470 4.660 0.006 0.000 0.309 58 W C 1.688 178.146 176.519 -0.102 0.000 1.206 58 W CA 1.359 58.683 57.345 -0.034 0.000 1.284 58 W CB -0.301 29.102 29.460 -0.094 0.000 1.145 58 W HN -0.001 nan 8.180 nan 0.000 0.502 59 F N 0.611 120.805 119.950 0.407 0.000 2.134 59 F HA -0.221 4.309 4.527 0.005 0.000 0.299 59 F C 2.351 178.162 175.800 0.018 0.000 1.097 59 F CA 2.029 60.158 58.000 0.214 0.000 1.264 59 F CB -1.339 37.809 39.000 0.247 0.000 1.001 59 F HN -0.048 nan 8.300 nan 0.000 0.479 60 N N -0.375 118.445 118.700 0.200 0.000 2.166 60 N HA -0.170 4.574 4.740 0.005 0.000 0.186 60 N C 1.648 177.154 175.510 -0.007 0.000 1.019 60 N CA 1.943 55.045 53.050 0.086 0.000 0.856 60 N CB -0.314 38.223 38.487 0.084 0.000 0.993 60 N HN 0.065 nan 8.380 nan 0.000 0.426 61 T N -0.429 114.082 114.554 -0.072 0.000 2.788 61 T HA -0.030 4.323 4.350 0.005 0.000 0.268 61 T C 1.632 176.200 174.700 -0.220 0.000 1.044 61 T CA 1.079 63.090 62.100 -0.150 0.000 1.139 61 T CB -0.134 68.613 68.868 -0.201 0.000 0.867 61 T HN 0.218 nan 8.240 nan 0.000 0.454 62 R N 0.988 121.292 120.500 -0.326 0.000 2.310 62 R HA 0.196 4.539 4.340 0.005 0.000 0.202 62 R C 0.564 176.784 176.300 -0.134 0.000 0.933 62 R CA 0.068 55.977 56.100 -0.318 0.000 1.054 62 R CB -0.153 29.810 30.300 -0.562 0.000 0.985 62 R HN 0.269 nan 8.270 nan 0.000 0.489 63 N N -0.199 118.464 118.700 -0.062 0.000 2.738 63 N HA -0.190 4.553 4.740 0.005 0.000 0.249 63 N C -1.740 173.796 175.510 0.043 0.000 1.047 63 N CA 0.432 53.480 53.050 -0.002 0.000 0.707 63 N CB -0.737 37.741 38.487 -0.016 0.000 0.937 63 N HN 0.028 nan 8.380 nan 0.000 0.545 64 L N 0.862 122.154 121.223 0.114 0.000 2.386 64 L HA 0.666 5.009 4.340 0.005 0.000 0.271 64 L C -2.021 175.023 176.870 0.290 0.000 0.993 64 L CA -1.804 53.170 54.840 0.223 0.000 0.819 64 L CB 1.742 43.982 42.059 0.303 0.000 1.294 64 L HN 0.035 nan 8.230 nan 0.000 0.414 65 P HA 0.173 nan 4.420 nan 0.000 0.276 65 P C -0.590 176.647 177.300 -0.105 0.000 1.243 65 P CA -0.400 62.730 63.100 0.050 0.000 0.768 65 P CB 0.663 32.379 31.700 0.027 0.000 0.856 66 M N 5.739 125.140 119.600 -0.331 0.000 2.200 66 M HA 0.267 4.750 4.480 0.005 0.000 0.355 66 M C -2.119 173.898 176.300 -0.472 0.000 1.283 66 M CA -1.776 53.024 55.300 -0.835 0.000 1.124 66 M CB 0.396 32.589 32.600 -0.677 0.000 1.625 66 M HN 0.187 nan 8.290 nan 0.000 0.463 67 P HA 0.104 nan 4.420 nan 0.000 0.269 67 P C -1.184 176.000 177.300 -0.193 0.000 1.215 67 P CA -0.176 62.785 63.100 -0.231 0.000 0.780 67 P CB 0.413 32.015 31.700 -0.164 0.000 0.898 68 D N 0.360 120.687 120.400 -0.122 0.000 2.371 68 D HA 0.057 4.700 4.640 0.005 0.000 0.242 68 D C 1.873 178.126 176.300 -0.079 0.000 1.218 68 D CA 0.147 54.092 54.000 -0.092 0.000 0.945 68 D CB 0.171 40.931 40.800 -0.067 0.000 1.137 68 D HN 0.438 nan 8.370 nan 0.000 0.464 69 G N 0.327 109.091 108.800 -0.060 0.000 2.606 69 G HA2 -0.274 3.690 3.960 0.005 0.000 0.221 69 G HA3 -0.274 3.690 3.960 0.005 0.000 0.221 69 G C 0.721 175.596 174.900 -0.042 0.000 1.152 69 G CA 0.915 45.988 45.100 -0.046 0.000 0.765 69 G HN 0.501 nan 8.290 nan 0.000 0.595 70 D N -0.483 119.891 120.400 -0.043 0.000 2.368 70 D HA 0.134 4.777 4.640 0.005 0.000 0.218 70 D C 1.685 177.955 176.300 -0.051 0.000 1.112 70 D CA -0.075 53.900 54.000 -0.042 0.000 0.834 70 D CB 0.383 41.160 40.800 -0.039 0.000 0.953 70 D HN 0.324 nan 8.370 nan 0.000 0.505 71 R N 0.199 120.664 120.500 -0.057 0.000 2.476 71 R HA 0.166 4.510 4.340 0.005 0.000 0.276 71 R C 0.006 176.272 176.300 -0.058 0.000 0.941 71 R CA -0.377 55.688 56.100 -0.060 0.000 1.088 71 R CB 1.118 31.383 30.300 -0.059 0.000 1.216 71 R HN -0.024 nan 8.270 nan 0.000 0.533 72 L N 1.184 122.374 121.223 -0.054 0.000 2.276 72 L HA 0.501 4.844 4.340 0.005 0.000 0.286 72 L C -0.200 176.650 176.870 -0.034 0.000 1.024 72 L CA -0.459 54.360 54.840 -0.035 0.000 0.826 72 L CB 1.433 43.473 42.059 -0.032 0.000 1.211 72 L HN 0.016 nan 8.230 nan 0.000 0.422 73 G N 4.428 113.203 108.800 -0.043 0.000 2.356 73 G HA2 0.572 4.535 3.960 0.005 0.000 0.298 73 G HA3 0.572 4.535 3.960 0.005 0.000 0.298 73 G C -1.344 173.579 174.900 0.039 0.000 1.145 73 G CA -0.378 44.701 45.100 -0.036 0.000 0.850 73 G HN 0.488 nan 8.290 nan 0.000 0.487 74 V N 1.332 121.307 119.914 0.101 0.000 2.525 74 V HA 0.690 4.813 4.120 0.005 0.000 0.299 74 V C 0.507 176.649 176.094 0.080 0.000 1.034 74 V CA -0.612 61.705 62.300 0.028 0.000 0.863 74 V CB 1.849 33.636 31.823 -0.060 0.000 0.999 74 V HN 1.002 nan 8.190 nan 0.000 0.423 75 G N 3.771 112.453 108.800 -0.197 0.000 2.370 75 G HA2 0.582 4.545 3.960 0.005 0.000 0.317 75 G HA3 0.582 4.545 3.960 0.005 0.000 0.317 75 G C -0.701 173.932 174.900 -0.445 0.000 1.162 75 G CA -0.621 44.088 45.100 -0.652 0.000 0.922 75 G HN 0.612 nan 8.290 nan 0.000 0.454 76 M N 4.045 123.427 119.600 -0.363 0.000 2.077 76 M HA 0.494 4.978 4.480 0.005 0.000 0.348 76 M C -0.870 175.238 176.300 -0.320 0.000 1.252 76 M CA -0.324 54.795 55.300 -0.302 0.000 1.096 76 M CB 1.010 33.406 32.600 -0.341 0.000 1.568 76 M HN 0.148 nan 8.290 nan 0.000 0.456 77 V N 6.630 126.467 119.914 -0.129 0.000 2.540 77 V HA 0.446 4.569 4.120 0.005 0.000 0.302 77 V C -0.603 175.639 176.094 0.246 0.000 1.035 77 V CA -0.632 61.645 62.300 -0.038 0.000 0.873 77 V CB 1.573 33.474 31.823 0.130 0.000 0.992 77 V HN 0.681 nan 8.190 nan 0.000 0.428 78 F N 5.138 125.152 119.950 0.107 0.000 2.421 78 F HA 0.510 5.041 4.527 0.005 0.000 0.358 78 F C 0.156 176.092 175.800 0.227 0.000 1.115 78 F CA -0.569 57.539 58.000 0.179 0.000 1.160 78 F CB 0.873 40.045 39.000 0.287 0.000 1.123 78 F HN 0.253 nan 8.300 nan 0.000 0.508 79 L N 5.161 126.603 121.223 0.366 0.000 2.313 79 L HA 0.529 4.872 4.340 0.005 0.000 0.268 79 L C -2.362 174.629 176.870 0.203 0.000 1.010 79 L CA -2.434 52.597 54.840 0.319 0.000 0.814 79 L CB 1.382 43.585 42.059 0.241 0.000 1.304 79 L HN 0.304 nan 8.230 nan 0.000 0.441 80 P HA 0.048 nan 4.420 nan 0.000 0.270 80 P C -0.297 177.006 177.300 0.004 0.000 1.223 80 P CA -0.336 62.788 63.100 0.041 0.000 0.785 80 P CB 0.542 32.231 31.700 -0.018 0.000 0.923 81 Q N 0.178 119.961 119.800 -0.028 0.000 2.163 81 Q HA -0.042 4.301 4.340 0.005 0.000 0.198 81 Q C 0.542 176.490 176.000 -0.087 0.000 0.954 81 Q CA 0.926 56.693 55.803 -0.060 0.000 0.851 81 Q CB -0.138 28.564 28.738 -0.059 0.000 0.928 81 Q HN 0.564 nan 8.270 nan 0.000 0.459 82 E N 2.059 122.216 120.200 -0.072 0.000 2.493 82 E HA -0.043 4.311 4.350 0.005 0.000 0.255 82 E C -1.771 174.774 176.600 -0.092 0.000 0.999 82 E CA -1.488 54.868 56.400 -0.073 0.000 0.934 82 E CB 1.056 30.720 29.700 -0.061 0.000 0.940 82 E HN -0.048 nan 8.360 nan 0.000 0.473 83 P HA -0.218 nan 4.420 nan 0.000 0.216 83 P C 1.327 178.568 177.300 -0.099 0.000 1.157 83 P CA 1.910 64.946 63.100 -0.107 0.000 0.880 83 P CB 0.164 31.811 31.700 -0.088 0.000 0.791 84 S N -1.203 114.449 115.700 -0.081 0.000 2.425 84 S HA 0.077 4.550 4.470 0.005 0.000 0.225 84 S C 2.096 176.644 174.600 -0.087 0.000 1.024 84 S CA 0.714 58.869 58.200 -0.075 0.000 0.951 84 S CB -1.274 61.891 63.200 -0.059 0.000 0.796 84 S HN 0.104 nan 8.310 nan 0.000 0.498 85 A N 2.479 125.244 122.820 -0.091 0.000 1.972 85 A HA -0.023 4.301 4.320 0.005 0.000 0.219 85 A C 2.308 179.812 177.584 -0.135 0.000 1.169 85 A CA 1.410 53.380 52.037 -0.112 0.000 0.635 85 A CB -0.726 18.215 19.000 -0.099 0.000 0.810 85 A HN 0.567 nan 8.150 nan 0.000 0.446 86 R N -0.396 120.032 120.500 -0.120 0.000 2.066 86 R HA -0.134 4.209 4.340 0.005 0.000 0.232 86 R C 1.672 177.887 176.300 -0.142 0.000 1.131 86 R CA 1.572 57.598 56.100 -0.123 0.000 0.955 86 R CB -0.197 30.018 30.300 -0.142 0.000 0.851 86 R HN 0.402 nan 8.270 nan 0.000 0.432 87 E N 0.240 120.361 120.200 -0.132 0.000 2.268 87 E HA -0.106 4.247 4.350 0.005 0.000 0.195 87 E C 2.012 178.563 176.600 -0.083 0.000 0.995 87 E CA 0.790 57.121 56.400 -0.115 0.000 0.836 87 E CB -0.028 29.618 29.700 -0.090 0.000 0.763 87 E HN 0.229 nan 8.360 nan 0.000 0.491 88 V N 1.327 121.184 119.914 -0.096 0.000 2.379 88 V HA -0.183 3.940 4.120 0.005 0.000 0.245 88 V C 2.405 178.444 176.094 -0.090 0.000 1.044 88 V CA 1.659 63.910 62.300 -0.082 0.000 1.036 88 V CB -0.791 30.964 31.823 -0.112 0.000 0.664 88 V HN 0.234 nan 8.190 nan 0.000 0.453 89 A N 0.033 122.732 122.820 -0.201 0.000 1.877 89 A HA -0.245 4.079 4.320 0.005 0.000 0.216 89 A C 2.411 180.028 177.584 0.055 0.000 1.186 89 A CA 2.034 53.899 52.037 -0.287 0.000 0.620 89 A CB -0.578 18.126 19.000 -0.494 0.000 0.822 89 A HN 0.454 nan 8.150 nan 0.000 0.443 90 R N -0.395 120.090 120.500 -0.025 0.000 2.080 90 R HA -0.156 4.187 4.340 0.005 0.000 0.236 90 R C 2.377 178.785 176.300 0.180 0.000 1.137 90 R CA 1.620 57.685 56.100 -0.059 0.000 0.943 90 R CB -0.484 29.598 30.300 -0.363 0.000 0.846 90 R HN 0.444 nan 8.270 nan 0.000 0.431 91 A N 0.033 122.921 122.820 0.113 0.000 1.892 91 A HA -0.254 4.070 4.320 0.005 0.000 0.218 91 A C 2.072 179.780 177.584 0.206 0.000 1.188 91 A CA 1.606 53.734 52.037 0.152 0.000 0.631 91 A CB -1.012 18.044 19.000 0.094 0.000 0.822 91 A HN 0.632 nan 8.150 nan 0.000 0.447 92 Y N 0.410 120.775 120.300 0.108 0.000 2.181 92 Y HA -0.180 4.374 4.550 0.005 0.000 0.288 92 Y C 2.451 178.491 175.900 0.233 0.000 1.146 92 Y CA 1.885 60.072 58.100 0.145 0.000 1.164 92 Y CB -0.288 38.239 38.460 0.111 0.000 0.982 92 Y HN 0.074 nan 8.280 nan 0.000 0.515 93 V N 0.337 120.500 119.914 0.415 0.000 2.332 93 V HA -0.322 3.801 4.120 0.005 0.000 0.248 93 V C 2.157 178.394 176.094 0.238 0.000 1.055 93 V CA 2.346 64.861 62.300 0.358 0.000 1.038 93 V CB -0.569 31.571 31.823 0.528 0.000 0.651 93 V HN 0.423 nan 8.190 nan 0.000 0.450 94 E N -0.450 119.923 120.200 0.288 0.000 2.072 94 E HA -0.252 4.101 4.350 0.005 0.000 0.191 94 E C 2.321 178.970 176.600 0.081 0.000 0.985 94 E CA 1.329 57.851 56.400 0.202 0.000 0.801 94 E CB -0.096 29.760 29.700 0.260 0.000 0.750 94 E HN 0.668 nan 8.360 nan 0.000 0.452 95 E N 0.379 120.595 120.200 0.027 0.000 2.051 95 E HA -0.183 4.171 4.350 0.005 0.000 0.192 95 E C 2.253 178.781 176.600 -0.120 0.000 0.991 95 E CA 1.556 57.921 56.400 -0.059 0.000 0.799 95 E CB 0.082 29.723 29.700 -0.098 0.000 0.748 95 E HN 0.229 nan 8.360 nan 0.000 0.449 96 V N -1.008 118.784 119.914 -0.204 0.000 2.667 96 V HA -0.110 4.013 4.120 0.005 0.000 0.252 96 V C 2.103 178.165 176.094 -0.053 0.000 1.065 96 V CA 1.214 63.418 62.300 -0.160 0.000 1.083 96 V CB 0.015 31.717 31.823 -0.200 0.000 0.692 96 V HN 0.119 nan 8.190 nan 0.000 0.468 97 V N 0.759 120.671 119.914 -0.004 0.000 2.295 97 V HA -0.213 3.910 4.120 0.005 0.000 0.246 97 V C 2.955 179.036 176.094 -0.021 0.000 1.049 97 V CA 2.728 65.030 62.300 0.003 0.000 1.024 97 V CB -0.855 30.997 31.823 0.048 0.000 0.648 97 V HN 0.508 nan 8.190 nan 0.000 0.447 98 R N -0.711 119.783 120.500 -0.010 0.000 2.083 98 R HA -0.161 4.182 4.340 0.005 0.000 0.237 98 R C 2.121 178.407 176.300 -0.023 0.000 1.137 98 R CA 1.371 57.465 56.100 -0.011 0.000 0.951 98 R CB -0.462 29.840 30.300 0.004 0.000 0.851 98 R HN 0.304 nan 8.270 nan 0.000 0.434 99 L N 1.028 122.232 121.223 -0.032 0.000 2.362 99 L HA -0.115 4.229 4.340 0.005 0.000 0.219 99 L C 1.660 178.507 176.870 -0.038 0.000 1.134 99 L CA 1.567 56.387 54.840 -0.033 0.000 0.807 99 L CB -0.302 41.733 42.059 -0.039 0.000 0.927 99 L HN 0.062 nan 8.230 nan 0.000 0.447 100 E N -0.229 119.942 120.200 -0.048 0.000 2.465 100 E HA -0.014 4.340 4.350 0.005 0.000 0.191 100 E C 0.559 177.120 176.600 -0.065 0.000 1.053 100 E CA -0.062 56.301 56.400 -0.062 0.000 0.869 100 E CB 0.130 29.783 29.700 -0.079 0.000 0.977 100 E HN 0.282 nan 8.360 nan 0.000 0.483 101 K N -0.241 120.129 120.400 -0.050 0.000 3.339 101 K HA -0.169 4.155 4.320 0.005 0.000 0.299 101 K C -0.024 176.546 176.600 -0.049 0.000 1.270 101 K CA 0.255 56.515 56.287 -0.044 0.000 0.875 101 K CB -1.431 31.042 32.500 -0.045 0.000 1.298 101 K HN 0.111 nan 8.250 nan 0.000 0.485 102 L N -0.339 120.850 121.223 -0.056 0.000 2.440 102 L HA 0.455 4.798 4.340 0.005 0.000 0.262 102 L C 0.642 177.492 176.870 -0.034 0.000 1.072 102 L CA -0.866 53.938 54.840 -0.059 0.000 0.798 102 L CB 1.374 43.376 42.059 -0.095 0.000 1.307 102 L HN -0.103 nan 8.230 nan 0.000 0.475 103 T N 0.408 114.946 114.554 -0.027 0.000 2.792 103 T HA 0.389 4.743 4.350 0.005 0.000 0.280 103 T C -0.361 174.338 174.700 -0.002 0.000 0.990 103 T CA -0.475 61.623 62.100 -0.003 0.000 0.960 103 T CB 1.669 70.543 68.868 0.011 0.000 0.939 103 T HN 0.187 nan 8.240 nan 0.000 0.439 104 V N 5.393 125.311 119.914 0.008 0.000 2.405 104 V HA 0.151 4.274 4.120 0.005 0.000 0.264 104 V C 1.361 177.472 176.094 0.028 0.000 1.048 104 V CA -0.134 62.160 62.300 -0.009 0.000 0.966 104 V CB 0.098 31.926 31.823 0.008 0.000 1.015 104 V HN 0.860 nan 8.190 nan 0.000 0.477 105 L N 4.047 125.282 121.223 0.020 0.000 2.179 105 L HA 0.381 4.724 4.340 0.005 0.000 0.208 105 L C 1.240 178.236 176.870 0.209 0.000 1.096 105 L CA 1.240 56.152 54.840 0.119 0.000 0.779 105 L CB -0.270 41.876 42.059 0.145 0.000 0.922 105 L HN 0.907 nan 8.230 nan 0.000 0.443 106 G N -2.246 106.603 108.800 0.082 0.000 2.369 106 G HA2 0.077 4.041 3.960 0.005 0.000 0.293 106 G HA3 0.077 4.041 3.960 0.005 0.000 0.293 106 G C -2.362 172.554 174.900 0.026 0.000 1.301 106 G CA -0.997 44.255 45.100 0.253 0.000 0.913 106 G HN -0.055 nan 8.290 nan 0.000 0.540 107 W N 0.137 121.593 121.300 0.259 0.000 2.666 107 W HA 0.794 5.457 4.660 0.005 0.000 0.334 107 W C 0.505 177.207 176.519 0.304 0.000 1.051 107 W CA -0.753 56.677 57.345 0.141 0.000 1.224 107 W CB 1.898 31.429 29.460 0.119 0.000 1.405 107 W HN 0.557 nan 8.180 nan 0.000 0.513 108 R N 2.503 123.178 120.500 0.292 0.000 2.295 108 R HA 0.260 4.603 4.340 0.005 0.000 0.324 108 R C -0.311 176.143 176.300 0.256 0.000 0.968 108 R CA -0.649 55.626 56.100 0.292 0.000 0.837 108 R CB 1.075 31.301 30.300 -0.125 0.000 1.133 108 R HN 0.641 nan 8.270 nan 0.000 0.450 109 E N 3.200 123.557 120.200 0.262 0.000 2.360 109 E HA 0.090 4.443 4.350 0.005 0.000 0.269 109 E C -0.952 175.733 176.600 0.141 0.000 1.022 109 E CA -0.498 56.006 56.400 0.173 0.000 0.887 109 E CB 1.045 30.846 29.700 0.167 0.000 0.990 109 E HN 0.315 nan 8.360 nan 0.000 0.426 110 V N 7.266 127.237 119.914 0.096 0.000 2.408 110 V HA 0.214 4.338 4.120 0.005 0.000 0.267 110 V C -2.056 174.105 176.094 0.111 0.000 1.047 110 V CA -1.631 60.753 62.300 0.140 0.000 0.937 110 V CB 0.704 32.633 31.823 0.177 0.000 0.999 110 V HN 0.777 nan 8.190 nan 0.000 0.472 111 P HA 0.270 nan 4.420 nan 0.000 0.271 111 P C -0.677 176.614 177.300 -0.014 0.000 1.233 111 P CA 0.190 63.329 63.100 0.065 0.000 0.764 111 P CB 0.750 32.503 31.700 0.089 0.000 0.825 112 V N 0.598 120.433 119.914 -0.132 0.000 3.049 112 V HA 0.713 4.836 4.120 0.005 0.000 0.309 112 V C -1.054 174.892 176.094 -0.246 0.000 1.148 112 V CA -1.021 61.027 62.300 -0.421 0.000 0.990 112 V CB 2.698 34.014 31.823 -0.843 0.000 1.039 112 V HN 0.328 nan 8.190 nan 0.000 0.430 113 N N 1.728 120.291 118.700 -0.228 0.000 2.626 113 N HA 0.410 5.153 4.740 0.005 0.000 0.249 113 N C 0.536 176.164 175.510 0.197 0.000 1.021 113 N CA 0.170 53.224 53.050 0.008 0.000 0.886 113 N CB 1.661 40.170 38.487 0.036 0.000 1.149 113 N HN 0.712 nan 8.380 nan 0.000 0.517 114 S N 1.605 117.429 115.700 0.206 0.000 2.423 114 S HA -0.084 4.389 4.470 0.005 0.000 0.231 114 S C 0.917 175.615 174.600 0.163 0.000 1.014 114 S CA 0.565 58.928 58.200 0.271 0.000 0.965 114 S CB 0.029 63.337 63.200 0.179 0.000 0.785 114 S HN 0.611 nan 8.310 nan 0.000 0.495 115 D N 1.453 121.922 120.400 0.115 0.000 2.311 115 D HA -0.085 4.558 4.640 0.005 0.000 0.212 115 D C 1.943 178.289 176.300 0.078 0.000 0.972 115 D CA 1.032 55.079 54.000 0.078 0.000 0.887 115 D CB -0.156 40.679 40.800 0.058 0.000 0.915 115 D HN 0.503 nan 8.370 nan 0.000 0.497 116 V N -1.644 118.335 119.914 0.109 0.000 3.235 116 V HA 0.089 4.212 4.120 0.005 0.000 0.259 116 V C 1.150 177.278 176.094 0.057 0.000 1.133 116 V CA 0.024 62.376 62.300 0.087 0.000 1.128 116 V CB -0.545 31.342 31.823 0.106 0.000 0.757 116 V HN -0.060 nan 8.190 nan 0.000 0.469 117 L N 2.035 123.291 121.223 0.055 0.000 2.467 117 L HA 0.474 4.818 4.340 0.005 0.000 0.270 117 L C 1.337 178.208 176.870 0.002 0.000 1.205 117 L CA 0.567 55.404 54.840 -0.005 0.000 0.828 117 L CB -0.111 41.944 42.059 -0.007 0.000 1.101 117 L HN 0.350 nan 8.230 nan 0.000 0.479 118 G N 1.011 109.799 108.800 -0.019 0.000 2.636 118 G HA2 0.248 4.211 3.960 0.005 0.000 0.246 118 G HA3 0.248 4.211 3.960 0.005 0.000 0.246 118 G C 0.918 175.821 174.900 0.006 0.000 1.216 118 G CA -0.290 44.803 45.100 -0.011 0.000 0.854 118 G HN 0.783 nan 8.290 nan 0.000 0.572 119 I N -1.590 118.984 120.570 0.006 0.000 2.286 119 I HA -0.150 4.023 4.170 0.005 0.000 0.248 119 I C 2.276 178.406 176.117 0.020 0.000 1.115 119 I CA 1.585 62.893 61.300 0.013 0.000 1.392 119 I CB -0.448 37.558 38.000 0.009 0.000 1.065 119 I HN 0.575 nan 8.210 nan 0.000 0.418 120 Q N 1.339 121.150 119.800 0.018 0.000 2.119 120 Q HA -0.041 4.302 4.340 0.005 0.000 0.201 120 Q C 2.467 178.512 176.000 0.075 0.000 0.972 120 Q CA 1.579 57.401 55.803 0.032 0.000 0.847 120 Q CB -0.334 28.414 28.738 0.017 0.000 0.903 120 Q HN 0.742 nan 8.270 nan 0.000 0.433 121 A N 1.076 123.947 122.820 0.085 0.000 2.014 121 A HA -0.128 4.195 4.320 0.005 0.000 0.218 121 A C 1.933 179.655 177.584 0.231 0.000 1.163 121 A CA 0.972 53.141 52.037 0.221 0.000 0.652 121 A CB -0.154 18.898 19.000 0.087 0.000 0.808 121 A HN 0.099 nan 8.150 nan 0.000 0.449 122 K N -0.334 120.121 120.400 0.092 0.000 2.155 122 K HA -0.070 4.254 4.320 0.005 0.000 0.203 122 K C 1.265 177.864 176.600 -0.002 0.000 1.052 122 K CA 1.042 57.350 56.287 0.035 0.000 0.948 122 K CB -0.073 32.445 32.500 0.029 0.000 0.728 122 K HN 0.394 nan 8.250 nan 0.000 0.448 123 N N 0.909 119.618 118.700 0.015 0.000 2.354 123 N HA -0.074 4.669 4.740 0.005 0.000 0.179 123 N C 1.060 176.555 175.510 -0.025 0.000 1.021 123 N CA 0.845 53.892 53.050 -0.005 0.000 0.887 123 N CB -0.067 38.425 38.487 0.008 0.000 0.974 123 N HN 0.145 nan 8.380 nan 0.000 0.437 124 N N 0.812 119.509 118.700 -0.004 0.000 2.422 124 N HA -0.037 4.706 4.740 0.005 0.000 0.181 124 N C 0.295 175.617 175.510 -0.312 0.000 1.080 124 N CA 0.082 53.110 53.050 -0.037 0.000 0.893 124 N CB 0.118 38.703 38.487 0.164 0.000 0.973 124 N HN 0.357 nan 8.380 nan 0.000 0.456 125 Q N 2.286 121.813 119.800 -0.455 0.000 2.286 125 Q HA 0.025 4.368 4.340 0.005 0.000 0.290 125 Q C -2.274 173.295 176.000 -0.719 0.000 1.049 125 Q CA -1.088 54.117 55.803 -0.996 0.000 0.923 125 Q CB 0.726 29.071 28.738 -0.654 0.000 1.183 125 Q HN 0.153 nan 8.270 nan 0.000 0.383 126 P HA 0.051 nan 4.420 nan 0.000 0.276 126 P C -1.231 175.912 177.300 -0.262 0.000 1.252 126 P CA -0.224 62.608 63.100 -0.446 0.000 0.802 126 P CB 0.660 32.042 31.700 -0.529 0.000 1.035 127 H N 0.725 119.716 119.070 -0.131 0.000 2.620 127 H HA 0.435 4.994 4.556 0.005 0.000 0.313 127 H C -0.441 174.923 175.328 0.061 0.000 1.075 127 H CA -0.171 55.849 56.048 -0.046 0.000 1.397 127 H CB -0.430 29.311 29.762 -0.036 0.000 1.446 127 H HN 0.171 nan 8.280 nan 0.000 0.493 128 I N 5.420 125.748 120.570 -0.402 0.000 2.362 128 I HA 0.341 4.514 4.170 0.005 0.000 0.289 128 I C -0.343 175.678 176.117 -0.160 0.000 0.994 128 I CA -0.468 60.789 61.300 -0.071 0.000 1.158 128 I CB 1.315 39.438 38.000 0.204 0.000 1.315 128 I HN 0.597 nan 8.210 nan 0.000 0.451 129 E N 5.153 125.368 120.200 0.025 0.000 2.413 129 E HA 0.443 4.796 4.350 0.005 0.000 0.277 129 E C -1.489 175.230 176.600 0.197 0.000 0.958 129 E CA -1.014 55.467 56.400 0.136 0.000 0.779 129 E CB 2.758 32.603 29.700 0.242 0.000 1.278 129 E HN 0.501 nan 8.360 nan 0.000 0.456 130 Q N 1.195 121.083 119.800 0.146 0.000 2.316 130 Q HA 0.526 4.869 4.340 0.005 0.000 0.264 130 Q C -0.775 175.090 176.000 -0.225 0.000 0.987 130 Q CA -0.495 55.269 55.803 -0.065 0.000 0.852 130 Q CB 2.607 31.256 28.738 -0.149 0.000 1.287 130 Q HN 0.439 nan 8.270 nan 0.000 0.448 131 I N 3.512 123.727 120.570 -0.592 0.000 2.385 131 I HA 0.352 4.526 4.170 0.005 0.000 0.294 131 I C -1.323 174.460 176.117 -0.558 0.000 0.988 131 I CA -0.741 59.945 61.300 -1.024 0.000 1.265 131 I CB 0.620 37.671 38.000 -1.582 0.000 1.388 131 I HN 0.492 nan 8.210 nan 0.000 0.480 132 L N 7.893 128.788 121.223 -0.547 0.000 2.307 132 L HA 0.648 4.991 4.340 0.005 0.000 0.284 132 L C -0.817 175.939 176.870 -0.189 0.000 1.023 132 L CA -0.798 53.827 54.840 -0.357 0.000 0.810 132 L CB 1.572 43.280 42.059 -0.585 0.000 1.231 132 L HN 0.333 nan 8.230 nan 0.000 0.423 133 V N 1.356 121.227 119.914 -0.072 0.000 2.888 133 V HA 0.683 4.806 4.120 0.005 0.000 0.309 133 V C -0.107 175.967 176.094 -0.033 0.000 1.114 133 V CA -0.429 61.844 62.300 -0.046 0.000 0.940 133 V CB 2.634 34.426 31.823 -0.052 0.000 1.021 133 V HN 0.973 nan 8.190 nan 0.000 0.426 134 T N -0.432 114.105 114.554 -0.028 0.000 2.883 134 T HA 0.490 4.843 4.350 0.005 0.000 0.296 134 T C -0.729 173.943 174.700 -0.047 0.000 1.117 134 T CA -0.709 61.372 62.100 -0.032 0.000 1.006 134 T CB 1.623 70.491 68.868 0.000 0.000 1.191 134 T HN 0.867 nan 8.240 nan 0.000 0.508 135 C N 3.892 123.159 119.300 -0.054 0.000 2.285 135 C HA 0.621 5.084 4.460 0.005 0.000 0.335 135 C C -0.799 174.168 174.990 -0.039 0.000 1.267 135 C CA -1.798 57.186 59.018 -0.056 0.000 1.762 135 C CB 0.384 28.081 27.740 -0.071 0.000 2.365 135 C HN 0.803 nan 8.230 nan 0.000 0.527 136 P HA -0.088 nan 4.420 nan 0.000 0.221 136 P C 1.101 178.385 177.300 -0.025 0.000 1.150 136 P CA 1.472 64.559 63.100 -0.021 0.000 0.800 136 P CB 0.154 31.844 31.700 -0.017 0.000 0.787 137 E N -0.699 119.481 120.200 -0.034 0.000 2.208 137 E HA 0.025 4.379 4.350 0.005 0.000 0.193 137 E C 1.487 178.065 176.600 -0.036 0.000 0.988 137 E CA 1.344 57.723 56.400 -0.035 0.000 0.828 137 E CB -0.223 29.452 29.700 -0.042 0.000 0.763 137 E HN 0.395 nan 8.360 nan 0.000 0.478 138 G N 0.522 109.298 108.800 -0.040 0.000 2.370 138 G HA2 -0.196 3.767 3.960 0.005 0.000 0.174 138 G HA3 -0.196 3.767 3.960 0.005 0.000 0.174 138 G C 0.350 175.222 174.900 -0.048 0.000 1.002 138 G CA -0.240 44.837 45.100 -0.040 0.000 0.730 138 G HN 0.233 nan 8.290 nan 0.000 0.497 139 C N 1.641 120.907 119.300 -0.057 0.000 2.494 139 C HA 0.452 4.915 4.460 0.005 0.000 0.399 139 C C 1.167 176.118 174.990 -0.066 0.000 1.388 139 C CA 1.491 60.469 59.018 -0.067 0.000 1.657 139 C CB -0.546 27.145 27.740 -0.082 0.000 2.585 139 C HN 1.486 nan 8.230 nan 0.000 0.601 140 A N 3.466 126.247 122.820 -0.065 0.000 2.604 140 A HA 0.756 5.080 4.320 0.005 0.000 0.295 140 A C 0.301 177.849 177.584 -0.060 0.000 1.067 140 A CA 0.449 52.450 52.037 -0.060 0.000 0.683 140 A CB 0.547 19.517 19.000 -0.051 0.000 1.281 140 A HN 2.447 nan 8.150 nan 0.000 0.407 141 G N 1.386 110.152 108.800 -0.056 0.000 2.634 141 G HA2 -0.371 3.592 3.960 0.005 0.000 0.318 141 G HA3 -0.371 3.592 3.960 0.005 0.000 0.318 141 G C 0.667 175.533 174.900 -0.057 0.000 1.207 141 G CA 1.468 46.537 45.100 -0.052 0.000 0.987 141 G HN 0.882 nan 8.290 nan 0.000 0.547 142 D N 0.414 120.782 120.400 -0.053 0.000 2.097 142 D HA 0.047 4.690 4.640 0.005 0.000 0.195 142 D C 2.272 178.535 176.300 -0.061 0.000 0.989 142 D CA 1.721 55.690 54.000 -0.052 0.000 0.827 142 D CB -0.310 40.464 40.800 -0.043 0.000 0.966 142 D HN 0.464 nan 8.370 nan 0.000 0.456 143 E N 0.175 120.332 120.200 -0.072 0.000 2.072 143 E HA -0.105 4.248 4.350 0.005 0.000 0.191 143 E C 1.892 178.428 176.600 -0.107 0.000 0.985 143 E CA 0.319 56.660 56.400 -0.097 0.000 0.801 143 E CB -0.408 29.233 29.700 -0.099 0.000 0.750 143 E HN 0.119 nan 8.360 nan 0.000 0.452 144 L N 1.187 122.352 121.223 -0.098 0.000 1.956 144 L HA -0.202 4.141 4.340 0.005 0.000 0.216 144 L C 1.640 178.437 176.870 -0.121 0.000 1.073 144 L CA 2.366 57.138 54.840 -0.114 0.000 0.762 144 L CB -1.065 40.932 42.059 -0.104 0.000 0.889 144 L HN 0.103 nan 8.230 nan 0.000 0.433 145 D N -0.965 119.380 120.400 -0.093 0.000 2.190 145 D HA -0.212 4.432 4.640 0.005 0.000 0.200 145 D C 2.339 178.625 176.300 -0.022 0.000 0.992 145 D CA 0.924 54.882 54.000 -0.072 0.000 0.854 145 D CB -0.165 40.602 40.800 -0.055 0.000 0.936 145 D HN 0.311 nan 8.370 nan 0.000 0.462 146 R N 0.451 120.935 120.500 -0.026 0.000 2.092 146 R HA -0.049 4.294 4.340 0.005 0.000 0.231 146 R C 1.886 178.185 176.300 -0.001 0.000 1.119 146 R CA 0.861 56.978 56.100 0.028 0.000 0.970 146 R CB 0.150 30.412 30.300 -0.064 0.000 0.864 146 R HN 0.124 nan 8.270 nan 0.000 0.440 147 R N 0.073 120.511 120.500 -0.104 0.000 2.119 147 R HA -0.046 4.298 4.340 0.005 0.000 0.222 147 R C 2.141 178.341 176.300 -0.166 0.000 1.088 147 R CA 0.517 56.532 56.100 -0.142 0.000 0.984 147 R CB -0.287 29.914 30.300 -0.165 0.000 0.884 147 R HN 0.178 nan 8.270 nan 0.000 0.447 148 L N 0.087 121.184 121.223 -0.210 0.000 2.093 148 L HA -0.145 4.198 4.340 0.005 0.000 0.208 148 L C 2.221 178.998 176.870 -0.155 0.000 1.085 148 L CA 1.436 56.042 54.840 -0.389 0.000 0.755 148 L CB -1.156 40.618 42.059 -0.476 0.000 0.904 148 L HN 0.121 nan 8.230 nan 0.000 0.435 149 Y N 0.080 120.314 120.300 -0.110 0.000 2.145 149 Y HA -0.221 4.332 4.550 0.005 0.000 0.286 149 Y C 2.462 178.388 175.900 0.044 0.000 1.145 149 Y CA 1.423 59.523 58.100 0.002 0.000 1.148 149 Y CB -0.345 38.145 38.460 0.051 0.000 0.981 149 Y HN 0.114 nan 8.280 nan 0.000 0.507 150 I N 0.542 121.068 120.570 -0.074 0.000 2.118 150 I HA -0.408 3.765 4.170 0.005 0.000 0.241 150 I C 2.727 178.784 176.117 -0.100 0.000 1.070 150 I CA 1.694 62.921 61.300 -0.122 0.000 1.327 150 I CB -0.878 37.096 38.000 -0.043 0.000 1.034 150 I HN 0.365 nan 8.210 nan 0.000 0.405 151 A N 0.411 123.181 122.820 -0.082 0.000 1.908 151 A HA -0.263 4.061 4.320 0.005 0.000 0.218 151 A C 2.457 180.086 177.584 0.076 0.000 1.181 151 A CA 1.952 53.973 52.037 -0.028 0.000 0.627 151 A CB -0.683 18.262 19.000 -0.092 0.000 0.818 151 A HN 0.412 nan 8.150 nan 0.000 0.445 152 R N -0.209 120.357 120.500 0.111 0.000 2.075 152 R HA -0.088 4.256 4.340 0.005 0.000 0.232 152 R C 2.239 178.563 176.300 0.040 0.000 1.126 152 R CA 1.690 57.898 56.100 0.180 0.000 0.963 152 R CB -0.348 30.097 30.300 0.242 0.000 0.858 152 R HN 0.470 nan 8.270 nan 0.000 0.435 153 S N 1.161 116.832 115.700 -0.048 0.000 2.374 153 S HA -0.172 4.302 4.470 0.005 0.000 0.227 153 S C 1.937 176.545 174.600 0.013 0.000 1.037 153 S CA 1.661 59.823 58.200 -0.062 0.000 1.024 153 S CB -0.284 62.794 63.200 -0.203 0.000 0.861 153 S HN 0.321 nan 8.310 nan 0.000 0.456 154 I N 1.254 121.840 120.570 0.027 0.000 2.113 154 I HA -0.204 3.969 4.170 0.005 0.000 0.238 154 I C 2.132 178.353 176.117 0.173 0.000 1.070 154 I CA 1.342 62.694 61.300 0.087 0.000 1.332 154 I CB -0.560 37.478 38.000 0.064 0.000 1.044 154 I HN 0.218 nan 8.210 nan 0.000 0.402 155 I N 1.155 121.830 120.570 0.175 0.000 2.236 155 I HA -0.274 3.900 4.170 0.005 0.000 0.249 155 I C 2.432 178.624 176.117 0.126 0.000 1.102 155 I CA 1.762 63.207 61.300 0.242 0.000 1.365 155 I CB -0.761 37.300 38.000 0.102 0.000 1.051 155 I HN 0.312 nan 8.210 nan 0.000 0.420 156 G N 0.298 109.134 108.800 0.061 0.000 2.776 156 G HA2 -0.131 3.832 3.960 0.005 0.000 0.209 156 G HA3 -0.131 3.832 3.960 0.005 0.000 0.209 156 G C 1.544 176.507 174.900 0.105 0.000 1.145 156 G CA 0.091 45.227 45.100 0.061 0.000 0.791 156 G HN 0.288 nan 8.290 nan 0.000 0.530 157 K N 0.406 120.883 120.400 0.127 0.000 2.296 157 K HA 0.039 4.362 4.320 0.005 0.000 0.200 157 K C 1.396 178.066 176.600 0.117 0.000 1.048 157 K CA 0.464 56.819 56.287 0.114 0.000 0.966 157 K CB 0.140 32.711 32.500 0.118 0.000 0.754 157 K HN 0.224 nan 8.250 nan 0.000 0.466 158 K N 1.413 121.910 120.400 0.163 0.000 2.577 158 K HA 0.106 4.429 4.320 0.005 0.000 0.210 158 K C -0.140 176.625 176.600 0.275 0.000 1.048 158 K CA -0.388 56.017 56.287 0.197 0.000 1.188 158 K CB -0.006 32.617 32.500 0.205 0.000 0.910 158 K HN -0.057 nan 8.250 nan 0.000 0.483 159 L N 1.727 123.053 121.223 0.172 0.000 2.667 159 L HA -0.096 4.248 4.340 0.005 0.000 0.278 159 L C -0.297 176.687 176.870 0.190 0.000 1.217 159 L CA 0.716 55.660 54.840 0.172 0.000 0.935 159 L CB -0.001 42.144 42.059 0.143 0.000 1.193 159 L HN 0.201 nan 8.230 nan 0.000 0.493 160 A N 3.980 126.952 122.820 0.253 0.000 2.532 160 A HA 0.500 4.823 4.320 0.005 0.000 0.290 160 A C 0.588 178.310 177.584 0.229 0.000 1.143 160 A CA -0.013 52.150 52.037 0.210 0.000 0.728 160 A CB 0.826 19.955 19.000 0.216 0.000 1.317 160 A HN 0.834 nan 8.150 nan 0.000 0.414 161 E N -0.369 119.931 120.200 0.167 0.000 2.268 161 E HA -0.178 4.175 4.350 0.005 0.000 0.195 161 E C 0.152 176.886 176.600 0.222 0.000 0.995 161 E CA 1.557 58.058 56.400 0.168 0.000 0.836 161 E CB 0.040 29.808 29.700 0.114 0.000 0.763 161 E HN 0.536 nan 8.360 nan 0.000 0.491 162 D N -0.546 119.986 120.400 0.219 0.000 2.333 162 D HA 0.012 4.655 4.640 0.005 0.000 0.208 162 D C -0.891 175.637 176.300 0.380 0.000 0.984 162 D CA 0.315 54.443 54.000 0.213 0.000 0.873 162 D CB 0.285 41.175 40.800 0.151 0.000 0.935 162 D HN 0.171 nan 8.370 nan 0.000 0.521 163 F N 1.446 121.532 119.950 0.227 0.000 3.094 163 F HA 0.265 4.795 4.527 0.006 0.000 0.385 163 F C -2.026 173.961 175.800 0.311 0.000 1.231 163 F CA -1.044 57.092 58.000 0.227 0.000 1.207 163 F CB 0.306 39.387 39.000 0.135 0.000 1.703 163 F HN -0.255 nan 8.300 nan 0.000 0.610 164 Y N 4.422 124.709 120.300 -0.022 0.000 2.401 164 Y HA 0.623 5.176 4.550 0.005 0.000 0.330 164 Y C -1.909 173.872 175.900 -0.198 0.000 1.071 164 Y CA -1.168 56.885 58.100 -0.079 0.000 1.049 164 Y CB 1.725 40.272 38.460 0.145 0.000 1.239 164 Y HN 0.092 nan 8.280 nan 0.000 0.437 165 V N 7.157 126.555 119.914 -0.859 0.000 2.339 165 V HA 0.041 4.164 4.120 0.005 0.000 0.261 165 V C 0.858 176.241 176.094 -1.184 0.000 1.058 165 V CA -0.113 61.689 62.300 -0.830 0.000 0.897 165 V CB -0.116 31.387 31.823 -0.533 0.000 1.052 165 V HN 1.176 nan 8.190 nan 0.000 0.480 166 C N 2.918 121.571 119.300 -1.078 0.000 2.413 166 C HA -0.027 4.437 4.460 0.005 0.000 0.276 166 C C 1.341 176.095 174.990 -0.393 0.000 1.236 166 C CA 0.926 59.520 59.018 -0.706 0.000 1.735 166 C CB -0.846 26.576 27.740 -0.530 0.000 2.031 166 C HN 0.932 nan 8.230 nan 0.000 0.474 167 S N -1.524 113.981 115.700 -0.325 0.000 2.543 167 S HA 0.610 5.083 4.470 0.005 0.000 0.273 167 S C -1.256 173.310 174.600 -0.057 0.000 1.152 167 S CA -0.370 57.744 58.200 -0.143 0.000 0.910 167 S CB 1.311 64.460 63.200 -0.085 0.000 1.105 167 S HN 0.099 nan 8.310 nan 0.000 0.465 168 F N 2.683 122.559 119.950 -0.123 0.000 2.676 168 F HA 0.750 5.280 4.527 0.005 0.000 0.371 168 F C -0.159 175.606 175.800 -0.060 0.000 1.141 168 F CA -0.635 57.303 58.000 -0.103 0.000 1.133 168 F CB 1.191 40.132 39.000 -0.099 0.000 1.376 168 F HN 0.910 nan 8.300 nan 0.000 0.491 169 S N 2.485 118.290 115.700 0.176 0.000 2.537 169 S HA 0.364 4.837 4.470 0.005 0.000 0.270 169 S C 0.393 175.004 174.600 0.019 0.000 1.142 169 S CA -0.371 57.855 58.200 0.043 0.000 0.870 169 S CB 0.982 64.209 63.200 0.045 0.000 1.112 169 S HN 0.683 nan 8.310 nan 0.000 0.466 170 C N 3.406 122.692 119.300 -0.024 0.000 2.613 170 C HA 0.560 5.023 4.460 0.005 0.000 0.273 170 C C 1.355 176.343 174.990 -0.004 0.000 1.304 170 C CA -0.301 58.702 59.018 -0.025 0.000 1.702 170 C CB -1.875 25.835 27.740 -0.051 0.000 1.792 170 C HN 0.862 nan 8.230 nan 0.000 0.588 171 R N 0.597 121.108 120.500 0.019 0.000 2.561 171 R HA 0.189 4.532 4.340 0.005 0.000 0.213 171 R C 0.441 176.805 176.300 0.107 0.000 0.885 171 R CA 0.986 57.117 56.100 0.051 0.000 1.002 171 R CB 0.438 30.762 30.300 0.040 0.000 1.432 171 R HN 0.595 nan 8.270 nan 0.000 0.651 172 T N -1.475 113.139 114.554 0.100 0.000 2.907 172 T HA 0.705 5.058 4.350 0.005 0.000 0.292 172 T C -0.615 174.135 174.700 0.083 0.000 1.043 172 T CA -0.693 61.492 62.100 0.140 0.000 1.003 172 T CB 2.288 71.274 68.868 0.197 0.000 1.084 172 T HN 0.057 nan 8.240 nan 0.000 0.483 173 I N 1.259 121.882 120.570 0.088 0.000 2.802 173 I HA 0.676 4.849 4.170 0.005 0.000 0.298 173 I C -1.745 174.427 176.117 0.091 0.000 1.176 173 I CA -1.196 60.138 61.300 0.057 0.000 1.025 173 I CB 2.170 40.217 38.000 0.080 0.000 1.243 173 I HN 0.625 nan 8.210 nan 0.000 0.424 174 V N 6.980 126.895 119.914 0.000 0.000 2.443 174 V HA 0.371 4.495 4.120 0.005 0.000 0.293 174 V C -1.323 174.734 176.094 -0.063 0.000 1.021 174 V CA -0.472 61.849 62.300 0.034 0.000 0.848 174 V CB 1.398 33.223 31.823 0.003 0.000 0.998 174 V HN 0.472 nan 8.190 nan 0.000 0.424 175 Y N 5.253 125.516 120.300 -0.063 0.000 2.385 175 Y HA 0.615 5.169 4.550 0.005 0.000 0.341 175 Y C 0.493 176.440 175.900 0.079 0.000 0.965 175 Y CA -0.457 57.513 58.100 -0.216 0.000 1.180 175 Y CB 1.185 39.389 38.460 -0.426 0.000 1.139 175 Y HN 0.647 nan 8.280 nan 0.000 0.502 176 K N 1.720 122.388 120.400 0.447 0.000 2.533 176 K HA 0.975 5.298 4.320 0.005 0.000 0.272 176 K C -0.870 176.117 176.600 0.646 0.000 0.985 176 K CA -1.170 55.420 56.287 0.505 0.000 0.876 176 K CB 2.545 35.247 32.500 0.337 0.000 1.452 176 K HN 0.681 nan 8.250 nan 0.000 0.439 177 G N 0.446 109.353 108.800 0.178 0.000 2.349 177 G HA2 0.290 4.253 3.960 0.005 0.000 0.294 177 G HA3 0.290 4.253 3.960 0.005 0.000 0.294 177 G C -1.151 173.213 174.900 -0.894 0.000 1.380 177 G CA -1.022 43.760 45.100 -0.530 0.000 0.811 177 G HN 0.344 nan 8.290 nan 0.000 0.519 178 M N 1.889 120.436 119.600 -1.755 0.000 3.596 178 M HA 0.337 4.820 4.480 0.005 0.000 0.219 178 M C 0.310 176.236 176.300 -0.624 0.000 1.471 178 M CA -0.393 54.312 55.300 -0.993 0.000 1.644 178 M CB -1.139 30.871 32.600 -0.983 0.000 1.083 178 M HN 0.780 nan 8.290 nan 0.000 0.579 179 V N -0.411 119.247 119.914 -0.427 0.000 3.007 179 V HA 0.660 4.783 4.120 0.005 0.000 0.311 179 V C 0.117 176.120 176.094 -0.152 0.000 1.120 179 V CA -1.375 60.766 62.300 -0.264 0.000 0.980 179 V CB 2.254 33.942 31.823 -0.224 0.000 1.033 179 V HN 0.542 nan 8.190 nan 0.000 0.429 180 R N 1.386 121.820 120.500 -0.110 0.000 2.738 180 R HA 0.333 4.676 4.340 0.005 0.000 0.268 180 R C 1.546 177.820 176.300 -0.045 0.000 1.062 180 R CA 0.436 56.491 56.100 -0.076 0.000 1.158 180 R CB 0.674 30.938 30.300 -0.060 0.000 1.046 180 R HN 0.940 nan 8.270 nan 0.000 0.493 181 S N 1.704 117.383 115.700 -0.034 0.000 2.369 181 S HA -0.177 4.297 4.470 0.005 0.000 0.225 181 S C 1.784 176.380 174.600 -0.006 0.000 1.043 181 S CA 1.747 59.937 58.200 -0.018 0.000 1.074 181 S CB -0.200 62.982 63.200 -0.030 0.000 0.962 181 S HN 0.698 nan 8.310 nan 0.000 0.433 182 I N -0.691 119.875 120.570 -0.007 0.000 3.444 182 I HA 0.071 4.244 4.170 0.005 0.000 0.287 182 I C 1.023 177.153 176.117 0.021 0.000 1.302 182 I CA 1.083 62.386 61.300 0.004 0.000 1.368 182 I CB -0.871 37.130 38.000 0.001 0.000 1.048 182 I HN 0.204 nan 8.210 nan 0.000 0.487 183 I N 0.433 121.015 120.570 0.021 0.000 3.228 183 I HA -0.053 4.121 4.170 0.005 0.000 0.279 183 I C 2.258 178.429 176.117 0.090 0.000 1.221 183 I CA 0.397 61.723 61.300 0.042 0.000 1.458 183 I CB -0.562 37.439 38.000 0.003 0.000 1.105 183 I HN 0.261 nan 8.210 nan 0.000 0.445 184 L N 1.974 123.249 121.223 0.088 0.000 1.990 184 L HA -0.133 4.210 4.340 0.005 0.000 0.213 184 L C 2.239 179.259 176.870 0.249 0.000 1.072 184 L CA 2.398 57.347 54.840 0.183 0.000 0.755 184 L CB -1.128 41.032 42.059 0.169 0.000 0.889 184 L HN 0.223 nan 8.230 nan 0.000 0.432 185 G N -2.104 106.783 108.800 0.144 0.000 2.712 185 G HA2 -0.101 3.862 3.960 0.005 0.000 0.212 185 G HA3 -0.101 3.862 3.960 0.005 0.000 0.212 185 G C 1.383 176.352 174.900 0.114 0.000 1.142 185 G CA 0.140 45.309 45.100 0.115 0.000 0.789 185 G HN 0.361 nan 8.290 nan 0.000 0.535 186 E N -0.001 120.271 120.200 0.121 0.000 2.112 186 E HA 0.003 4.356 4.350 0.005 0.000 0.190 186 E C 1.828 178.515 176.600 0.145 0.000 0.979 186 E CA 0.157 56.624 56.400 0.111 0.000 0.814 186 E CB -0.160 29.596 29.700 0.092 0.000 0.762 186 E HN 0.474 nan 8.360 nan 0.000 0.460 187 F N 0.550 120.509 119.950 0.015 0.000 2.118 187 F HA -0.086 4.444 4.527 0.005 0.000 0.293 187 F C 0.657 176.437 175.800 -0.034 0.000 1.102 187 F CA 0.822 58.795 58.000 -0.045 0.000 1.247 187 F CB -0.217 38.710 39.000 -0.123 0.000 1.017 187 F HN -0.146 nan 8.300 nan 0.000 0.475 188 Y N 2.238 122.579 120.300 0.068 0.000 2.613 188 Y HA 0.081 4.634 4.550 0.005 0.000 0.354 188 Y C 1.366 177.258 175.900 -0.013 0.000 1.063 188 Y CA -0.664 57.436 58.100 0.000 0.000 1.384 188 Y CB 0.317 38.904 38.460 0.211 0.000 1.199 188 Y HN 0.111 nan 8.280 nan 0.000 0.517 189 L N 1.986 123.269 121.223 0.099 0.000 2.127 189 L HA -0.252 4.091 4.340 0.005 0.000 0.211 189 L C 1.434 178.358 176.870 0.090 0.000 1.089 189 L CA 1.659 56.545 54.840 0.077 0.000 0.757 189 L CB -0.393 41.698 42.059 0.053 0.000 0.899 189 L HN 0.719 nan 8.230 nan 0.000 0.434 190 D N -0.243 120.232 120.400 0.125 0.000 2.182 190 D HA -0.191 4.452 4.640 0.005 0.000 0.201 190 D C 2.133 178.427 176.300 -0.010 0.000 0.986 190 D CA 0.854 54.925 54.000 0.118 0.000 0.847 190 D CB 0.085 40.999 40.800 0.191 0.000 0.942 190 D HN 0.197 nan 8.370 nan 0.000 0.467 191 L N 0.572 121.694 121.223 -0.169 0.000 2.291 191 L HA -0.059 4.284 4.340 0.005 0.000 0.214 191 L C 2.001 178.860 176.870 -0.019 0.000 1.120 191 L CA 1.247 55.899 54.840 -0.314 0.000 0.799 191 L CB -0.334 41.542 42.059 -0.304 0.000 0.925 191 L HN -0.115 nan 8.230 nan 0.000 0.446 192 K N -0.963 119.475 120.400 0.062 0.000 2.361 192 K HA 0.115 4.438 4.320 0.005 0.000 0.194 192 K C 0.603 177.248 176.600 0.075 0.000 1.032 192 K CA -0.127 56.235 56.287 0.125 0.000 1.048 192 K CB -0.030 32.514 32.500 0.074 0.000 0.842 192 K HN 0.198 nan 8.250 nan 0.000 0.526 193 N N 3.245 121.964 118.700 0.032 0.000 2.452 193 N HA 0.001 4.745 4.740 0.005 0.000 0.266 193 N C -1.852 173.459 175.510 -0.332 0.000 1.175 193 N CA -1.102 51.912 53.050 -0.060 0.000 0.945 193 N CB 1.323 39.834 38.487 0.040 0.000 1.063 193 N HN -0.076 nan 8.380 nan 0.000 0.472 194 P HA -0.004 nan 4.420 nan 0.000 0.234 194 P C 0.916 178.039 177.300 -0.295 0.000 1.167 194 P CA 0.567 63.272 63.100 -0.659 0.000 0.763 194 P CB 0.033 31.564 31.700 -0.282 0.000 0.835 195 G N -1.674 107.048 108.800 -0.129 0.000 2.920 195 G HA2 -0.143 3.820 3.960 0.005 0.000 0.208 195 G HA3 -0.143 3.820 3.960 0.005 0.000 0.208 195 G C -0.027 174.903 174.900 0.050 0.000 1.159 195 G CA -0.148 44.941 45.100 -0.019 0.000 0.784 195 G HN 0.303 nan 8.290 nan 0.000 0.535 196 Y N 2.757 123.039 120.300 -0.030 0.000 2.383 196 Y HA 0.437 4.991 4.550 0.005 0.000 0.344 196 Y C 0.177 176.160 175.900 0.138 0.000 0.986 196 Y CA -0.641 57.493 58.100 0.057 0.000 1.175 196 Y CB 0.889 39.376 38.460 0.045 0.000 1.152 196 Y HN 0.057 nan 8.280 nan 0.000 0.511 197 T N 1.568 116.260 114.554 0.230 0.000 2.900 197 T HA 0.668 5.021 4.350 0.005 0.000 0.295 197 T C -0.826 173.947 174.700 0.120 0.000 1.044 197 T CA -0.964 61.254 62.100 0.195 0.000 0.995 197 T CB 1.764 70.696 68.868 0.107 0.000 1.072 197 T HN 0.495 nan 8.240 nan 0.000 0.473 198 S N 0.531 116.297 115.700 0.111 0.000 2.548 198 S HA 0.341 4.815 4.470 0.005 0.000 0.278 198 S C -0.209 174.426 174.600 0.058 0.000 1.150 198 S CA -0.797 57.429 58.200 0.044 0.000 0.907 198 S CB 1.170 64.364 63.200 -0.011 0.000 1.108 198 S HN 0.724 nan 8.310 nan 0.000 0.459 199 N N 2.139 120.898 118.700 0.099 0.000 2.461 199 N HA 0.196 4.939 4.740 0.005 0.000 0.188 199 N C -0.154 175.488 175.510 0.220 0.000 1.134 199 N CA 0.678 53.812 53.050 0.140 0.000 0.878 199 N CB -0.125 38.452 38.487 0.150 0.000 0.972 199 N HN 0.639 nan 8.380 nan 0.000 0.456 200 F N -1.450 118.517 119.950 0.029 0.000 2.741 200 F HA 0.711 5.241 4.527 0.006 0.000 0.311 200 F C -2.032 173.815 175.800 0.079 0.000 1.149 200 F CA -1.398 56.621 58.000 0.032 0.000 0.930 200 F CB 1.042 40.034 39.000 -0.013 0.000 1.312 200 F HN -0.206 nan 8.300 nan 0.000 0.450 201 A N 1.796 124.644 122.820 0.048 0.000 2.488 201 A HA 0.704 5.028 4.320 0.005 0.000 0.295 201 A C -2.121 175.629 177.584 0.276 0.000 1.045 201 A CA -0.766 51.265 52.037 -0.010 0.000 0.703 201 A CB 1.462 20.496 19.000 0.058 0.000 1.271 201 A HN 0.971 nan 8.150 nan 0.000 0.400 202 V N 3.285 123.347 119.914 0.246 0.000 2.435 202 V HA 0.642 4.765 4.120 0.005 0.000 0.290 202 V C -0.629 175.580 176.094 0.191 0.000 1.030 202 V CA -0.305 62.119 62.300 0.206 0.000 0.881 202 V CB 0.934 32.866 31.823 0.182 0.000 0.983 202 V HN 0.927 nan 8.190 nan 0.000 0.445 203 Y N 1.970 122.367 120.300 0.162 0.000 2.576 203 Y HA 0.811 5.365 4.550 0.006 0.000 0.346 203 Y C -0.673 175.342 175.900 0.193 0.000 1.018 203 Y CA -1.208 56.976 58.100 0.141 0.000 1.050 203 Y CB 1.645 40.154 38.460 0.083 0.000 1.280 203 Y HN 0.689 nan 8.280 nan 0.000 0.474 204 H N 2.203 121.433 119.070 0.267 0.000 3.029 204 H HA 0.506 5.065 4.556 0.005 0.000 0.358 204 H C -1.791 173.630 175.328 0.156 0.000 1.129 204 H CA -0.755 55.393 56.048 0.166 0.000 1.230 204 H CB 2.183 32.008 29.762 0.105 0.000 1.827 204 H HN 0.888 nan 8.280 nan 0.000 0.530 205 R N 3.423 123.817 120.500 -0.175 0.000 2.439 205 R HA 0.345 4.688 4.340 0.005 0.000 0.310 205 R C -1.170 174.998 176.300 -0.221 0.000 0.955 205 R CA -0.724 55.318 56.100 -0.096 0.000 0.853 205 R CB 0.918 31.175 30.300 -0.072 0.000 1.171 205 R HN 0.650 nan 8.270 nan 0.000 0.449 206 R N 4.254 124.749 120.500 -0.007 0.000 2.428 206 R HA 0.364 4.707 4.340 0.005 0.000 0.294 206 R C -1.262 175.093 176.300 0.090 0.000 1.000 206 R CA -0.396 55.766 56.100 0.103 0.000 0.960 206 R CB 0.777 31.219 30.300 0.237 0.000 1.076 206 R HN 0.656 nan 8.270 nan 0.000 0.475 207 F N 3.979 123.919 119.950 -0.017 0.000 2.402 207 F HA 0.327 4.858 4.527 0.006 0.000 0.355 207 F C -0.513 175.294 175.800 0.011 0.000 1.123 207 F CA -0.630 57.361 58.000 -0.014 0.000 1.021 207 F CB 1.375 40.358 39.000 -0.029 0.000 1.160 207 F HN 0.659 nan 8.300 nan 0.000 0.451 208 S N 2.154 118.131 115.700 0.461 0.000 2.578 208 S HA 0.271 4.745 4.470 0.005 0.000 0.301 208 S C 0.438 175.246 174.600 0.346 0.000 1.091 208 S CA -0.169 58.213 58.200 0.303 0.000 1.032 208 S CB 1.552 64.835 63.200 0.137 0.000 1.064 208 S HN 0.729 nan 8.310 nan 0.000 0.508 209 T N -0.277 114.401 114.554 0.207 0.000 3.434 209 T HA 0.241 4.594 4.350 0.005 0.000 0.249 209 T C 0.129 174.895 174.700 0.109 0.000 1.050 209 T CA -0.222 61.973 62.100 0.159 0.000 0.952 209 T CB -1.643 67.277 68.868 0.086 0.000 1.046 209 T HN 0.855 nan 8.240 nan 0.000 0.590 210 N N -1.685 117.072 118.700 0.096 0.000 3.204 210 N HA 0.362 5.105 4.740 0.005 0.000 0.285 210 N C 0.138 175.665 175.510 0.028 0.000 1.536 210 N CA -0.887 52.195 53.050 0.053 0.000 0.832 210 N CB 0.980 39.491 38.487 0.040 0.000 1.645 210 N HN -0.158 nan 8.380 nan 0.000 0.586 211 T N -0.815 113.748 114.554 0.014 0.000 2.990 211 T HA 0.307 4.660 4.350 0.005 0.000 0.249 211 T C -0.053 174.646 174.700 -0.002 0.000 1.039 211 T CA 0.422 62.521 62.100 -0.001 0.000 1.036 211 T CB -0.195 68.672 68.868 -0.001 0.000 0.994 211 T HN 0.481 nan 8.240 nan 0.000 0.489 212 M N 3.794 123.399 119.600 0.008 0.000 2.111 212 M HA 0.351 4.834 4.480 0.005 0.000 0.351 212 M C -2.545 173.769 176.300 0.023 0.000 1.214 212 M CA -2.088 53.222 55.300 0.017 0.000 1.120 212 M CB 0.964 33.576 32.600 0.021 0.000 1.443 212 M HN -0.159 nan 8.290 nan 0.000 0.429 213 P HA 0.169 nan 4.420 nan 0.000 0.271 213 P C -1.122 176.228 177.300 0.084 0.000 1.216 213 P CA -0.176 62.933 63.100 0.014 0.000 0.771 213 P CB 0.746 32.434 31.700 -0.020 0.000 0.864 214 K N 2.489 122.934 120.400 0.076 0.000 2.604 214 K HA 0.158 4.481 4.320 0.005 0.000 0.247 214 K C 0.172 176.881 176.600 0.182 0.000 0.956 214 K CA -0.437 55.941 56.287 0.152 0.000 0.896 214 K CB 0.872 33.428 32.500 0.094 0.000 1.131 214 K HN 0.319 nan 8.250 nan 0.000 0.440 215 W N 2.758 124.066 121.300 0.014 0.000 2.321 215 W HA -0.117 4.547 4.660 0.006 0.000 0.306 215 W C -0.946 175.718 176.519 0.241 0.000 1.217 215 W CA 1.077 58.465 57.345 0.072 0.000 1.257 215 W CB -1.227 28.146 29.460 -0.146 0.000 1.145 215 W HN 0.579 nan 8.180 nan 0.000 0.509 216 P HA -0.158 nan 4.420 nan 0.000 0.221 216 P C 1.376 178.617 177.300 -0.098 0.000 1.145 216 P CA 1.531 64.494 63.100 -0.227 0.000 0.795 216 P CB -0.242 31.041 31.700 -0.695 0.000 0.775 217 L N -2.276 118.969 121.223 0.036 0.000 2.591 217 L HA 0.147 4.491 4.340 0.005 0.000 0.228 217 L C 1.300 178.212 176.870 0.071 0.000 1.133 217 L CA -0.503 54.378 54.840 0.068 0.000 0.880 217 L CB -0.684 41.419 42.059 0.073 0.000 1.033 217 L HN -0.083 nan 8.230 nan 0.000 0.450 218 A N 0.220 123.085 122.820 0.075 0.000 2.409 218 A HA 0.319 4.643 4.320 0.005 0.000 0.246 218 A C 0.088 177.710 177.584 0.065 0.000 1.099 218 A CA 0.274 52.358 52.037 0.078 0.000 0.789 218 A CB 0.366 19.414 19.000 0.081 0.000 1.053 218 A HN 0.338 nan 8.150 nan 0.000 0.503 219 Q N -0.557 119.261 119.800 0.030 0.000 2.484 219 Q HA 0.441 4.784 4.340 0.005 0.000 0.285 219 Q C -2.725 173.287 176.000 0.020 0.000 1.097 219 Q CA -1.988 53.743 55.803 -0.120 0.000 0.802 219 Q CB 1.804 30.152 28.738 -0.649 0.000 1.444 219 Q HN 0.457 nan 8.270 nan 0.000 0.429 220 P HA 0.024 nan 4.420 nan 0.000 0.272 220 P C -0.341 176.954 177.300 -0.009 0.000 1.230 220 P CA -0.034 63.047 63.100 -0.032 0.000 0.788 220 P CB 0.563 32.291 31.700 0.046 0.000 0.949 221 M N 1.580 121.159 119.600 -0.036 0.000 1.981 221 M HA 0.166 4.649 4.480 0.005 0.000 0.168 221 M C 1.658 177.933 176.300 -0.042 0.000 1.029 221 M CA 0.488 55.758 55.300 -0.050 0.000 1.327 221 M CB -1.039 31.493 32.600 -0.113 0.000 0.947 221 M HN 0.188 nan 8.290 nan 0.000 0.663 222 R N -0.673 119.782 120.500 -0.076 0.000 2.153 222 R HA 0.084 4.427 4.340 0.005 0.000 0.218 222 R C 1.581 177.869 176.300 -0.020 0.000 1.072 222 R CA 0.932 56.999 56.100 -0.054 0.000 0.990 222 R CB -0.292 29.972 30.300 -0.060 0.000 0.889 222 R HN 0.314 nan 8.270 nan 0.000 0.452 223 L N -1.793 119.416 121.223 -0.024 0.000 2.854 223 L HA 0.437 4.780 4.340 0.005 0.000 0.249 223 L C -0.532 176.368 176.870 0.050 0.000 1.091 223 L CA 0.320 55.155 54.840 -0.008 0.000 0.935 223 L CB 0.666 42.683 42.059 -0.070 0.000 1.367 223 L HN 0.034 nan 8.230 nan 0.000 0.524 224 L N -1.114 120.131 121.223 0.037 0.000 2.466 224 L HA 0.863 5.206 4.340 0.005 0.000 0.258 224 L C -0.731 176.167 176.870 0.046 0.000 0.973 224 L CA -0.457 54.434 54.840 0.085 0.000 0.826 224 L CB 2.013 44.124 42.059 0.087 0.000 1.372 224 L HN -0.026 nan 8.230 nan 0.000 0.409 225 G N 0.984 109.823 108.800 0.065 0.000 2.388 225 G HA2 0.426 4.389 3.960 0.005 0.000 0.330 225 G HA3 0.426 4.389 3.960 0.005 0.000 0.330 225 G C -1.816 173.187 174.900 0.172 0.000 1.142 225 G CA -0.311 44.814 45.100 0.041 0.000 0.908 225 G HN 0.880 nan 8.290 nan 0.000 0.473 226 H N 1.665 120.763 119.070 0.046 0.000 2.727 226 H HA 0.295 4.854 4.556 0.005 0.000 0.330 226 H C -1.072 174.404 175.328 0.247 0.000 0.986 226 H CA -0.594 55.528 56.048 0.124 0.000 1.251 226 H CB 1.188 31.003 29.762 0.088 0.000 1.493 226 H HN 0.558 nan 8.280 nan 0.000 0.515 227 N N 4.354 123.110 118.700 0.093 0.000 2.485 227 N HA 0.440 5.183 4.740 0.005 0.000 0.243 227 N C -0.465 174.920 175.510 -0.210 0.000 0.987 227 N CA 0.136 53.152 53.050 -0.056 0.000 0.940 227 N CB 0.968 39.465 38.487 0.016 0.000 1.122 227 N HN 0.935 nan 8.380 nan 0.000 0.509 228 G N 1.950 110.503 108.800 -0.411 0.000 2.339 228 G HA2 0.026 3.990 3.960 0.005 0.000 0.275 228 G HA3 0.026 3.990 3.960 0.005 0.000 0.275 228 G C -2.029 172.735 174.900 -0.227 0.000 1.323 228 G CA -0.654 44.306 45.100 -0.233 0.000 0.927 228 G HN 0.424 nan 8.290 nan 0.000 0.486 229 E N 0.080 120.317 120.200 0.062 0.000 2.287 229 E HA 0.350 4.703 4.350 0.005 0.000 0.274 229 E C -0.671 176.063 176.600 0.224 0.000 0.896 229 E CA -0.691 55.795 56.400 0.144 0.000 0.788 229 E CB 1.920 31.663 29.700 0.072 0.000 1.244 229 E HN 0.448 nan 8.360 nan 0.000 0.408 230 I N 3.620 124.353 120.570 0.272 0.000 2.452 230 I HA 0.012 4.185 4.170 0.005 0.000 0.287 230 I C 1.340 177.530 176.117 0.121 0.000 1.079 230 I CA -0.044 61.388 61.300 0.220 0.000 1.387 230 I CB -0.078 38.078 38.000 0.261 0.000 1.404 230 I HN 0.419 nan 8.210 nan 0.000 0.522 231 N N 3.203 121.962 118.700 0.097 0.000 2.280 231 N HA -0.052 4.691 4.740 0.005 0.000 0.192 231 N C 0.551 176.076 175.510 0.025 0.000 1.109 231 N CA -0.042 53.042 53.050 0.056 0.000 0.855 231 N CB 0.042 38.565 38.487 0.061 0.000 0.974 231 N HN 0.608 nan 8.380 nan 0.000 0.482 232 T N -2.766 111.790 114.554 0.002 0.000 3.380 232 T HA 0.244 4.598 4.350 0.005 0.000 0.289 232 T C 0.981 175.595 174.700 -0.142 0.000 1.012 232 T CA -0.551 61.521 62.100 -0.046 0.000 0.944 232 T CB -0.248 68.616 68.868 -0.007 0.000 1.172 232 T HN -0.002 nan 8.240 nan 0.000 0.502 233 L N 1.434 122.580 121.223 -0.129 0.000 2.017 233 L HA 0.120 4.463 4.340 0.005 0.000 0.208 233 L C 2.134 178.871 176.870 -0.222 0.000 1.073 233 L CA 1.445 56.166 54.840 -0.198 0.000 0.745 233 L CB -0.619 41.394 42.059 -0.076 0.000 0.894 233 L HN 0.391 nan 8.230 nan 0.000 0.432 234 L N -0.467 120.667 121.223 -0.149 0.000 2.042 234 L HA -0.134 4.209 4.340 0.005 0.000 0.210 234 L C 2.285 179.034 176.870 -0.201 0.000 1.076 234 L CA 2.313 57.067 54.840 -0.143 0.000 0.749 234 L CB -1.860 40.142 42.059 -0.095 0.000 0.893 234 L HN 0.440 nan 8.230 nan 0.000 0.432 235 G N -0.116 108.563 108.800 -0.202 0.000 2.418 235 G HA2 -0.297 3.666 3.960 0.005 0.000 0.217 235 G HA3 -0.297 3.666 3.960 0.005 0.000 0.217 235 G C 1.409 176.204 174.900 -0.176 0.000 1.158 235 G CA 0.606 45.580 45.100 -0.210 0.000 0.771 235 G HN 0.436 nan 8.290 nan 0.000 0.545 236 N N 0.536 119.058 118.700 -0.296 0.000 2.188 236 N HA 0.003 4.747 4.740 0.005 0.000 0.184 236 N C 2.247 177.505 175.510 -0.420 0.000 1.018 236 N CA 0.622 53.339 53.050 -0.555 0.000 0.858 236 N CB -0.116 37.470 38.487 -1.503 0.000 0.989 236 N HN 0.322 nan 8.380 nan 0.000 0.426 237 I N 1.320 121.668 120.570 -0.370 0.000 2.202 237 I HA -0.221 3.953 4.170 0.005 0.000 0.242 237 I C 1.577 177.626 176.117 -0.113 0.000 1.091 237 I CA 0.848 62.047 61.300 -0.168 0.000 1.368 237 I CB -0.260 37.662 38.000 -0.131 0.000 1.058 237 I HN 0.058 nan 8.210 nan 0.000 0.410 238 N N 0.589 119.160 118.700 -0.214 0.000 2.069 238 N HA -0.211 4.532 4.740 0.005 0.000 0.191 238 N C 1.552 176.907 175.510 -0.257 0.000 1.031 238 N CA 1.581 54.455 53.050 -0.293 0.000 0.852 238 N CB -0.629 37.589 38.487 -0.447 0.000 1.018 238 N HN 0.414 nan 8.380 nan 0.000 0.423 239 W N 0.968 122.226 121.300 -0.069 0.000 2.317 239 W HA -0.161 4.502 4.660 0.006 0.000 0.318 239 W C 2.502 179.023 176.519 0.003 0.000 1.227 239 W CA 0.503 57.827 57.345 -0.036 0.000 1.269 239 W CB -0.550 28.892 29.460 -0.029 0.000 1.155 239 W HN 0.074 nan 8.180 nan 0.000 0.484 240 M N 1.208 120.958 119.600 0.250 0.000 2.080 240 M HA -0.115 4.368 4.480 0.005 0.000 0.260 240 M C 2.146 178.526 176.300 0.133 0.000 1.068 240 M CA 2.335 57.766 55.300 0.218 0.000 1.109 240 M CB -1.053 31.728 32.600 0.303 0.000 1.342 240 M HN -0.014 nan 8.290 nan 0.000 0.405 241 A N -0.339 122.528 122.820 0.078 0.000 1.940 241 A HA 0.009 4.332 4.320 0.005 0.000 0.219 241 A C 2.356 179.956 177.584 0.027 0.000 1.176 241 A CA 2.043 54.103 52.037 0.037 0.000 0.631 241 A CB -1.423 17.573 19.000 -0.006 0.000 0.814 241 A HN 0.668 nan 8.150 nan 0.000 0.446 242 A N -0.691 122.149 122.820 0.032 0.000 2.019 242 A HA -0.125 4.198 4.320 0.005 0.000 0.219 242 A C 2.206 179.825 177.584 0.057 0.000 1.164 242 A CA 1.409 53.467 52.037 0.034 0.000 0.644 242 A CB -0.399 18.639 19.000 0.062 0.000 0.805 242 A HN 0.519 nan 8.150 nan 0.000 0.449 243 R N -0.641 119.907 120.500 0.079 0.000 2.236 243 R HA -0.020 4.324 4.340 0.005 0.000 0.208 243 R C 1.757 178.080 176.300 0.037 0.000 1.036 243 R CA 0.893 57.030 56.100 0.062 0.000 1.001 243 R CB -0.090 30.256 30.300 0.076 0.000 0.896 243 R HN 0.676 nan 8.270 nan 0.000 0.464 244 E N 0.339 120.561 120.200 0.037 0.000 2.106 244 E HA -0.198 4.155 4.350 0.005 0.000 0.192 244 E C 1.732 178.342 176.600 0.017 0.000 0.984 244 E CA 1.066 57.482 56.400 0.026 0.000 0.806 244 E CB 0.128 29.846 29.700 0.031 0.000 0.750 244 E HN 0.120 nan 8.360 nan 0.000 0.458 245 K N 0.859 121.268 120.400 0.016 0.000 2.063 245 K HA -0.121 4.202 4.320 0.005 0.000 0.208 245 K C 1.062 177.669 176.600 0.012 0.000 1.048 245 K CA 1.054 57.349 56.287 0.013 0.000 0.928 245 K CB 0.226 32.732 32.500 0.009 0.000 0.713 245 K HN -0.037 nan 8.250 nan 0.000 0.442 246 E N 0.730 120.937 120.200 0.011 0.000 2.542 246 E HA 0.095 4.448 4.350 0.005 0.000 0.224 246 E C -0.819 175.781 176.600 0.000 0.000 1.110 246 E CA -0.179 56.226 56.400 0.008 0.000 1.350 246 E CB 0.302 30.008 29.700 0.009 0.000 1.302 246 E HN 0.237 nan 8.360 nan 0.000 0.435 247 L N 1.307 122.526 121.223 -0.005 0.000 2.426 247 L HA 0.220 4.564 4.340 0.005 0.000 0.271 247 L C 0.289 177.146 176.870 -0.022 0.000 1.169 247 L CA 0.524 55.347 54.840 -0.029 0.000 0.836 247 L CB 0.575 42.603 42.059 -0.052 0.000 1.112 247 L HN 0.131 nan 8.230 nan 0.000 0.465 248 E N 2.627 122.804 120.200 -0.038 0.000 2.343 248 E HA 0.570 4.923 4.350 0.005 0.000 0.288 248 E C -1.916 174.668 176.600 -0.026 0.000 0.907 248 E CA -0.549 55.844 56.400 -0.010 0.000 0.792 248 E CB 1.951 31.650 29.700 -0.001 0.000 1.275 248 E HN 0.292 nan 8.360 nan 0.000 0.402 249 V N 1.560 121.481 119.914 0.012 0.000 2.852 249 V HA 0.385 4.508 4.120 0.005 0.000 0.300 249 V C -0.046 176.147 176.094 0.164 0.000 1.205 249 V CA -1.196 61.127 62.300 0.037 0.000 0.940 249 V CB 1.291 33.061 31.823 -0.089 0.000 1.047 249 V HN 0.745 nan 8.190 nan 0.000 0.429 250 S N 1.656 117.439 115.700 0.139 0.000 2.558 250 S HA 0.438 4.911 4.470 0.005 0.000 0.293 250 S C 1.335 176.062 174.600 0.211 0.000 1.292 250 S CA 0.483 58.769 58.200 0.144 0.000 1.063 250 S CB 0.538 63.798 63.200 0.100 0.000 0.831 250 S HN 2.811 nan 8.310 nan 0.000 0.499 251 G N 1.434 110.326 108.800 0.154 0.000 2.176 251 G HA2 -0.235 3.729 3.960 0.005 0.000 0.252 251 G HA3 -0.235 3.729 3.960 0.005 0.000 0.252 251 G C -0.528 174.423 174.900 0.084 0.000 1.024 251 G CA 0.091 45.247 45.100 0.094 0.000 0.755 251 G HN 0.741 nan 8.290 nan 0.000 0.507 252 W N -0.038 121.272 121.300 0.016 0.000 2.957 252 W HA 0.603 5.267 4.660 0.006 0.000 0.336 252 W C 0.741 177.268 176.519 0.014 0.000 1.087 252 W CA -0.085 57.271 57.345 0.019 0.000 1.235 252 W CB 1.197 30.674 29.460 0.029 0.000 1.399 252 W HN 0.471 nan 8.180 nan 0.000 0.480 253 T N -0.953 113.715 114.554 0.191 0.000 2.816 253 T HA 0.244 4.597 4.350 0.005 0.000 0.282 253 T C 1.109 175.913 174.700 0.173 0.000 0.993 253 T CA -0.445 61.736 62.100 0.137 0.000 0.994 253 T CB 1.613 70.519 68.868 0.064 0.000 1.025 253 T HN 0.508 nan 8.240 nan 0.000 0.529 254 K N 0.398 120.866 120.400 0.113 0.000 2.026 254 K HA -0.106 4.217 4.320 0.005 0.000 0.208 254 K C 2.555 179.213 176.600 0.097 0.000 1.048 254 K CA 1.353 57.697 56.287 0.095 0.000 0.929 254 K CB -0.885 31.651 32.500 0.061 0.000 0.713 254 K HN 0.767 nan 8.250 nan 0.000 0.439 255 A N 1.581 124.449 122.820 0.080 0.000 1.917 255 A HA -0.238 4.085 4.320 0.005 0.000 0.219 255 A C 1.872 179.512 177.584 0.093 0.000 1.182 255 A CA 1.915 53.993 52.037 0.068 0.000 0.633 255 A CB -0.527 18.499 19.000 0.044 0.000 0.819 255 A HN 0.450 nan 8.150 nan 0.000 0.448 256 E N -0.439 119.841 120.200 0.133 0.000 2.110 256 E HA -0.133 4.220 4.350 0.005 0.000 0.193 256 E C 1.921 178.714 176.600 0.322 0.000 0.988 256 E CA 1.102 57.624 56.400 0.203 0.000 0.804 256 E CB -0.256 29.554 29.700 0.183 0.000 0.745 256 E HN 0.642 nan 8.360 nan 0.000 0.458 257 L N 0.630 122.028 121.223 0.292 0.000 2.156 257 L HA -0.137 4.206 4.340 0.005 0.000 0.208 257 L C 2.517 179.432 176.870 0.074 0.000 1.095 257 L CA 0.751 55.682 54.840 0.151 0.000 0.770 257 L CB -0.072 42.034 42.059 0.078 0.000 0.914 257 L HN 0.069 nan 8.230 nan 0.000 0.439 258 E N 0.798 121.043 120.200 0.075 0.000 2.152 258 E HA -0.151 4.202 4.350 0.005 0.000 0.192 258 E C 2.084 178.710 176.600 0.043 0.000 0.983 258 E CA 1.256 57.685 56.400 0.049 0.000 0.818 258 E CB -0.068 29.660 29.700 0.047 0.000 0.758 258 E HN 0.322 nan 8.360 nan 0.000 0.467 259 A N 0.412 123.262 122.820 0.051 0.000 2.076 259 A HA -0.122 4.201 4.320 0.005 0.000 0.220 259 A C 2.059 179.641 177.584 -0.004 0.000 1.160 259 A CA 1.414 53.469 52.037 0.030 0.000 0.653 259 A CB -0.620 18.397 19.000 0.028 0.000 0.801 259 A HN 0.359 nan 8.150 nan 0.000 0.455 260 L N -1.181 120.033 121.223 -0.015 0.000 2.509 260 L HA -0.020 4.323 4.340 0.005 0.000 0.222 260 L C 2.286 179.152 176.870 -0.006 0.000 1.123 260 L CA 0.661 55.462 54.840 -0.065 0.000 0.856 260 L CB -0.970 41.033 42.059 -0.094 0.000 0.985 260 L HN 0.229 nan 8.230 nan 0.000 0.456 261 T N 0.874 115.438 114.554 0.016 0.000 2.522 261 T HA -0.179 4.174 4.350 0.005 0.000 0.253 261 T C -1.468 173.257 174.700 0.040 0.000 1.218 261 T CA 1.385 63.502 62.100 0.028 0.000 1.155 261 T CB -1.827 67.059 68.868 0.031 0.000 0.855 261 T HN 0.234 nan 8.240 nan 0.000 0.435 262 P HA 0.201 nan 4.420 nan 0.000 0.264 262 P C 0.473 177.823 177.300 0.084 0.000 1.537 262 P CA 0.214 63.349 63.100 0.057 0.000 1.189 262 P CB -0.386 31.346 31.700 0.053 0.000 1.687 263 I N 1.798 122.422 120.570 0.090 0.000 2.480 263 I HA 0.016 4.189 4.170 0.005 0.000 0.251 263 I C 1.101 177.316 176.117 0.164 0.000 1.124 263 I CA 0.900 62.274 61.300 0.123 0.000 1.444 263 I CB 0.266 38.330 38.000 0.107 0.000 1.098 263 I HN 0.062 nan 8.210 nan 0.000 0.428 264 V N 1.235 121.233 119.914 0.140 0.000 2.789 264 V HA 0.460 4.583 4.120 0.005 0.000 0.311 264 V C -1.027 175.118 176.094 0.086 0.000 1.073 264 V CA -0.640 61.755 62.300 0.159 0.000 0.921 264 V CB 2.842 34.781 31.823 0.194 0.000 1.009 264 V HN 0.285 nan 8.190 nan 0.000 0.426 265 N N 2.224 120.962 118.700 0.064 0.000 2.503 265 N HA 0.259 5.002 4.740 0.005 0.000 0.287 265 N C 0.418 175.924 175.510 -0.007 0.000 1.096 265 N CA -0.473 52.580 53.050 0.004 0.000 0.936 265 N CB 2.278 40.740 38.487 -0.042 0.000 1.570 265 N HN 0.702 nan 8.380 nan 0.000 0.504 266 Q N 1.528 121.319 119.800 -0.016 0.000 2.500 266 Q HA 0.038 4.381 4.340 0.005 0.000 0.213 266 Q C 0.841 176.828 176.000 -0.021 0.000 0.974 266 Q CA 1.160 56.951 55.803 -0.019 0.000 0.918 266 Q CB 0.132 28.853 28.738 -0.030 0.000 0.980 266 Q HN 0.516 nan 8.270 nan 0.000 0.505 267 A N 0.728 123.526 122.820 -0.036 0.000 2.267 267 A HA 0.086 4.409 4.320 0.005 0.000 0.213 267 A C 0.416 177.957 177.584 -0.072 0.000 1.192 267 A CA -0.320 51.691 52.037 -0.044 0.000 0.851 267 A CB 0.206 19.179 19.000 -0.045 0.000 0.881 267 A HN 0.153 nan 8.150 nan 0.000 0.494 268 N N 0.779 119.415 118.700 -0.108 0.000 2.476 268 N HA 0.296 5.040 4.740 0.005 0.000 0.275 268 N C 0.327 175.836 175.510 -0.002 0.000 1.190 268 N CA 0.288 53.238 53.050 -0.167 0.000 0.977 268 N CB 1.141 39.357 38.487 -0.452 0.000 1.200 268 N HN 0.337 nan 8.380 nan 0.000 0.515 269 S N -0.221 115.525 115.700 0.076 0.000 2.580 269 S HA -0.028 4.445 4.470 0.005 0.000 0.266 269 S C 1.038 175.755 174.600 0.196 0.000 1.354 269 S CA -0.305 57.978 58.200 0.139 0.000 1.008 269 S CB 0.554 63.853 63.200 0.166 0.000 0.898 269 S HN 0.623 nan 8.310 nan 0.000 0.555 270 D N 1.779 122.298 120.400 0.198 0.000 2.158 270 D HA -0.164 4.479 4.640 0.005 0.000 0.197 270 D C 1.668 178.156 176.300 0.314 0.000 0.995 270 D CA 1.957 56.112 54.000 0.259 0.000 0.846 270 D CB -1.090 39.859 40.800 0.248 0.000 0.941 270 D HN 0.467 nan 8.370 nan 0.000 0.456 271 S N -0.806 115.085 115.700 0.318 0.000 2.368 271 S HA -0.122 4.351 4.470 0.005 0.000 0.224 271 S C 1.707 176.437 174.600 0.217 0.000 1.029 271 S CA 0.742 59.111 58.200 0.282 0.000 0.988 271 S CB -0.692 62.697 63.200 0.314 0.000 0.838 271 S HN 0.468 nan 8.310 nan 0.000 0.462 272 Y N 2.921 123.294 120.300 0.122 0.000 2.145 272 Y HA -0.212 4.341 4.550 0.005 0.000 0.286 272 Y C 2.347 178.315 175.900 0.113 0.000 1.145 272 Y CA 1.443 59.608 58.100 0.108 0.000 1.148 272 Y CB -0.247 38.274 38.460 0.102 0.000 0.981 272 Y HN 0.228 nan 8.280 nan 0.000 0.507 273 N N 0.721 119.692 118.700 0.452 0.000 2.061 273 N HA -0.265 4.479 4.740 0.005 0.000 0.193 273 N C 1.962 177.601 175.510 0.216 0.000 1.030 273 N CA 1.731 55.020 53.050 0.397 0.000 0.856 273 N CB -0.614 38.153 38.487 0.466 0.000 1.023 273 N HN 0.436 nan 8.380 nan 0.000 0.424 274 L N 1.116 122.398 121.223 0.099 0.000 2.046 274 L HA -0.213 4.131 4.340 0.005 0.000 0.208 274 L C 2.111 178.805 176.870 -0.294 0.000 1.077 274 L CA 1.619 56.242 54.840 -0.362 0.000 0.747 274 L CB -0.435 41.464 42.059 -0.268 0.000 0.896 274 L HN 0.102 nan 8.230 nan 0.000 0.432 275 D N -1.030 119.296 120.400 -0.123 0.000 2.116 275 D HA -0.270 4.374 4.640 0.005 0.000 0.193 275 D C 2.263 178.505 176.300 -0.098 0.000 0.998 275 D CA 1.830 55.761 54.000 -0.114 0.000 0.836 275 D CB 0.035 40.781 40.800 -0.091 0.000 0.951 275 D HN 0.253 nan 8.370 nan 0.000 0.449 276 S N -1.222 114.471 115.700 -0.011 0.000 2.368 276 S HA -0.054 4.420 4.470 0.005 0.000 0.224 276 S C 2.076 176.688 174.600 0.020 0.000 1.029 276 S CA 1.337 59.577 58.200 0.067 0.000 0.988 276 S CB -0.571 62.757 63.200 0.214 0.000 0.838 276 S HN 0.403 nan 8.310 nan 0.000 0.462 277 A N 1.092 123.876 122.820 -0.059 0.000 1.930 277 A HA 0.074 4.397 4.320 0.005 0.000 0.217 277 A C 2.148 179.605 177.584 -0.212 0.000 1.175 277 A CA 1.418 53.383 52.037 -0.120 0.000 0.627 277 A CB -0.790 18.067 19.000 -0.239 0.000 0.815 277 A HN 0.567 nan 8.150 nan 0.000 0.443 278 L N -0.183 120.866 121.223 -0.289 0.000 2.083 278 L HA -0.146 4.197 4.340 0.005 0.000 0.209 278 L C 2.353 179.074 176.870 -0.247 0.000 1.083 278 L CA 2.438 57.100 54.840 -0.297 0.000 0.752 278 L CB -0.274 41.592 42.059 -0.322 0.000 0.899 278 L HN 0.604 nan 8.230 nan 0.000 0.433 279 E N -0.865 119.214 120.200 -0.200 0.000 2.152 279 E HA -0.236 4.118 4.350 0.005 0.000 0.192 279 E C 2.163 178.572 176.600 -0.318 0.000 0.983 279 E CA 0.882 57.124 56.400 -0.262 0.000 0.818 279 E CB -0.115 29.460 29.700 -0.209 0.000 0.758 279 E HN 0.421 nan 8.360 nan 0.000 0.467 280 L N 1.120 122.268 121.223 -0.125 0.000 1.990 280 L HA -0.220 4.123 4.340 0.005 0.000 0.213 280 L C 2.098 178.866 176.870 -0.171 0.000 1.072 280 L CA 1.765 56.559 54.840 -0.078 0.000 0.755 280 L CB -0.570 41.480 42.059 -0.015 0.000 0.889 280 L HN 0.272 nan 8.230 nan 0.000 0.432 281 L N -1.718 119.403 121.223 -0.171 0.000 2.191 281 L HA -0.189 4.154 4.340 0.005 0.000 0.212 281 L C 2.298 179.068 176.870 -0.168 0.000 1.103 281 L CA 0.899 55.640 54.840 -0.165 0.000 0.769 281 L CB -0.527 41.428 42.059 -0.173 0.000 0.908 281 L HN 0.211 nan 8.230 nan 0.000 0.438 282 V N -0.716 119.070 119.914 -0.213 0.000 2.331 282 V HA -0.127 3.996 4.120 0.005 0.000 0.242 282 V C 2.450 178.451 176.094 -0.156 0.000 1.034 282 V CA 1.150 63.331 62.300 -0.198 0.000 1.027 282 V CB -0.506 31.172 31.823 -0.242 0.000 0.667 282 V HN 0.392 nan 8.190 nan 0.000 0.457 283 R N 1.164 121.526 120.500 -0.230 0.000 2.241 283 R HA -0.071 4.272 4.340 0.005 0.000 0.224 283 R C 1.872 178.267 176.300 0.159 0.000 1.101 283 R CA 1.537 57.579 56.100 -0.096 0.000 0.995 283 R CB -1.097 29.001 30.300 -0.336 0.000 0.870 283 R HN 0.721 nan 8.270 nan 0.000 0.463 284 T N -3.914 110.639 114.554 -0.002 0.000 3.186 284 T HA 0.394 4.748 4.350 0.005 0.000 0.257 284 T C 1.064 175.803 174.700 0.065 0.000 1.029 284 T CA 0.364 62.473 62.100 0.016 0.000 0.916 284 T CB 0.834 69.496 68.868 -0.343 0.000 1.041 284 T HN 0.313 nan 8.240 nan 0.000 0.562 285 G N 1.313 110.146 108.800 0.055 0.000 2.613 285 G HA2 -0.060 3.903 3.960 0.005 0.000 0.199 285 G HA3 -0.060 3.903 3.960 0.005 0.000 0.199 285 G C -0.018 174.901 174.900 0.031 0.000 0.991 285 G CA -0.899 44.240 45.100 0.065 0.000 0.756 285 G HN 0.577 nan 8.290 nan 0.000 0.515 286 R N 1.050 121.543 120.500 -0.011 0.000 2.604 286 R HA 0.665 5.008 4.340 0.005 0.000 0.287 286 R C 0.542 176.789 176.300 -0.088 0.000 0.970 286 R CA 0.078 56.159 56.100 -0.031 0.000 0.946 286 R CB 1.646 31.922 30.300 -0.040 0.000 1.127 286 R HN 0.391 nan 8.270 nan 0.000 0.473 287 S N 1.891 117.535 115.700 -0.094 0.000 2.572 287 S HA 0.106 4.579 4.470 0.005 0.000 0.279 287 S C -1.512 172.952 174.600 -0.225 0.000 1.341 287 S CA -1.117 56.999 58.200 -0.139 0.000 1.043 287 S CB 0.843 63.975 63.200 -0.114 0.000 0.887 287 S HN 0.381 nan 8.310 nan 0.000 0.516 288 P HA -0.148 nan 4.420 nan 0.000 0.217 288 P C 1.494 178.365 177.300 -0.715 0.000 1.148 288 P CA 1.210 63.976 63.100 -0.557 0.000 0.834 288 P CB -0.153 31.175 31.700 -0.620 0.000 0.783 289 L N -0.367 120.595 121.223 -0.436 0.000 1.994 289 L HA -0.178 4.165 4.340 0.005 0.000 0.208 289 L C 2.769 179.500 176.870 -0.232 0.000 1.071 289 L CA 1.734 56.417 54.840 -0.261 0.000 0.745 289 L CB -1.032 40.971 42.059 -0.093 0.000 0.892 289 L HN 0.008 nan 8.230 nan 0.000 0.431 290 E N 0.117 120.200 120.200 -0.195 0.000 2.110 290 E HA -0.234 4.120 4.350 0.005 0.000 0.193 290 E C 2.199 178.712 176.600 -0.146 0.000 0.988 290 E CA 1.076 57.394 56.400 -0.136 0.000 0.804 290 E CB 0.009 29.675 29.700 -0.057 0.000 0.745 290 E HN 0.466 nan 8.360 nan 0.000 0.458 291 A N 0.828 123.513 122.820 -0.225 0.000 1.969 291 A HA -0.048 4.275 4.320 0.005 0.000 0.218 291 A C 2.270 179.698 177.584 -0.260 0.000 1.169 291 A CA 1.584 53.472 52.037 -0.248 0.000 0.635 291 A CB -0.461 18.359 19.000 -0.300 0.000 0.810 291 A HN 0.379 nan 8.150 nan 0.000 0.445 292 A N -1.114 121.529 122.820 -0.295 0.000 2.072 292 A HA 0.163 4.486 4.320 0.005 0.000 0.216 292 A C 2.078 179.607 177.584 -0.092 0.000 1.156 292 A CA 1.125 53.028 52.037 -0.223 0.000 0.701 292 A CB -0.417 18.441 19.000 -0.237 0.000 0.816 292 A HN 0.489 nan 8.150 nan 0.000 0.458 293 M N -0.883 118.676 119.600 -0.069 0.000 2.394 293 M HA 0.016 4.499 4.480 0.005 0.000 0.264 293 M C 1.704 178.088 176.300 0.139 0.000 1.073 293 M CA 1.175 56.509 55.300 0.057 0.000 1.111 293 M CB -0.237 32.335 32.600 -0.048 0.000 1.401 293 M HN 0.411 nan 8.290 nan 0.000 0.448 294 I N -0.508 120.048 120.570 -0.024 0.000 2.429 294 I HA -0.189 3.984 4.170 0.005 0.000 0.247 294 I C 1.984 178.073 176.117 -0.047 0.000 1.099 294 I CA 0.833 62.059 61.300 -0.123 0.000 1.422 294 I CB -0.052 37.745 38.000 -0.338 0.000 1.112 294 I HN 0.179 nan 8.210 nan 0.000 0.430 295 L N -0.178 120.987 121.223 -0.098 0.000 2.109 295 L HA -0.043 4.300 4.340 0.005 0.000 0.207 295 L C 0.597 177.484 176.870 0.029 0.000 1.086 295 L CA 0.725 55.500 54.840 -0.108 0.000 0.760 295 L CB -0.090 41.729 42.059 -0.400 0.000 0.910 295 L HN 0.016 nan 8.230 nan 0.000 0.437 296 V N 0.705 120.627 119.914 0.013 0.000 2.405 296 V HA 0.244 4.367 4.120 0.005 0.000 0.253 296 V C -2.305 173.826 176.094 0.063 0.000 0.963 296 V CA -1.219 61.120 62.300 0.065 0.000 1.003 296 V CB 0.366 32.215 31.823 0.043 0.000 1.251 296 V HN 0.036 nan 8.190 nan 0.000 0.520 297 P HA 0.163 nan 4.420 nan 0.000 0.271 297 P C 0.205 177.469 177.300 -0.059 0.000 1.216 297 P CA 0.026 63.141 63.100 0.025 0.000 0.776 297 P CB 1.194 32.932 31.700 0.063 0.000 0.881 298 E N 1.425 121.528 120.200 -0.162 0.000 2.537 298 E HA 0.057 4.410 4.350 0.005 0.000 0.269 298 E C 0.089 176.661 176.600 -0.048 0.000 1.038 298 E CA -0.101 56.230 56.400 -0.114 0.000 0.977 298 E CB 0.288 29.897 29.700 -0.151 0.000 0.973 298 E HN 0.477 nan 8.360 nan 0.000 0.456 299 A N 4.508 127.337 122.820 0.016 0.000 2.807 299 A HA 0.095 4.418 4.320 0.005 0.000 0.307 299 A C 0.228 177.834 177.584 0.036 0.000 1.532 299 A CA -0.278 51.779 52.037 0.032 0.000 1.215 299 A CB -0.564 18.442 19.000 0.010 0.000 1.127 299 A HN 0.703 nan 8.150 nan 0.000 0.543 300 Y N 1.569 121.840 120.300 -0.047 0.000 2.337 300 Y HA 0.187 4.741 4.550 0.006 0.000 0.293 300 Y C 0.834 176.766 175.900 0.054 0.000 1.123 300 Y CA 0.019 58.131 58.100 0.021 0.000 1.201 300 Y CB -0.064 38.439 38.460 0.072 0.000 1.011 300 Y HN 0.267 nan 8.280 nan 0.000 0.545 301 K N 2.718 122.659 120.400 -0.765 0.000 2.489 301 K HA -0.094 4.230 4.320 0.005 0.000 0.278 301 K C -0.024 176.449 176.600 -0.210 0.000 1.000 301 K CA 0.568 56.535 56.287 -0.533 0.000 1.012 301 K CB 0.015 32.218 32.500 -0.494 0.000 0.903 301 K HN 0.534 nan 8.250 nan 0.000 0.485 302 N N 1.817 120.440 118.700 -0.128 0.000 2.716 302 N HA -0.227 4.516 4.740 0.005 0.000 0.250 302 N C -0.430 175.046 175.510 -0.057 0.000 1.033 302 N CA 0.880 53.885 53.050 -0.076 0.000 0.727 302 N CB -0.880 37.556 38.487 -0.084 0.000 0.950 302 N HN 0.515 nan 8.380 nan 0.000 0.541 303 Q N 0.421 120.205 119.800 -0.027 0.000 2.368 303 Q HA 0.411 4.754 4.340 0.005 0.000 0.256 303 Q C -1.856 174.151 176.000 0.012 0.000 0.980 303 Q CA -1.737 54.068 55.803 0.003 0.000 0.887 303 Q CB 1.329 30.098 28.738 0.051 0.000 1.221 303 Q HN -0.044 nan 8.270 nan 0.000 0.458 304 P HA -0.068 nan 4.420 nan 0.000 0.220 304 P C 0.393 177.689 177.300 -0.006 0.000 1.148 304 P CA 1.279 64.370 63.100 -0.014 0.000 0.803 304 P CB 0.214 31.894 31.700 -0.034 0.000 0.782 305 A N -0.788 122.034 122.820 0.002 0.000 2.178 305 A HA -0.080 4.243 4.320 0.005 0.000 0.218 305 A C 1.865 179.387 177.584 -0.104 0.000 1.157 305 A CA 1.061 53.082 52.037 -0.026 0.000 0.689 305 A CB -1.345 17.695 19.000 0.067 0.000 0.787 305 A HN 0.193 nan 8.150 nan 0.000 0.465 306 L N -1.308 119.914 121.223 -0.000 0.000 2.667 306 L HA 0.097 4.441 4.340 0.005 0.000 0.232 306 L C 2.072 178.999 176.870 0.095 0.000 1.138 306 L CA 0.034 54.912 54.840 0.064 0.000 0.921 306 L CB -0.054 42.090 42.059 0.143 0.000 1.180 306 L HN 0.376 nan 8.230 nan 0.000 0.487 307 K N 0.791 121.215 120.400 0.041 0.000 2.044 307 K HA -0.220 4.103 4.320 0.005 0.000 0.210 307 K C 0.688 177.274 176.600 -0.023 0.000 1.049 307 K CA 1.897 58.190 56.287 0.010 0.000 0.927 307 K CB 0.171 32.662 32.500 -0.013 0.000 0.713 307 K HN 0.273 nan 8.250 nan 0.000 0.443 308 D N -1.103 119.254 120.400 -0.070 0.000 2.339 308 D HA -0.004 4.639 4.640 0.005 0.000 0.217 308 D C -0.460 175.546 176.300 -0.491 0.000 1.050 308 D CA 0.502 54.330 54.000 -0.285 0.000 0.856 308 D CB 0.229 40.780 40.800 -0.416 0.000 0.922 308 D HN 0.226 nan 8.370 nan 0.000 0.518 309 Y N -0.252 119.997 120.300 -0.085 0.000 2.480 309 Y HA 0.251 4.804 4.550 0.005 0.000 0.356 309 Y C -1.637 174.269 175.900 0.010 0.000 0.922 309 Y CA -1.927 56.143 58.100 -0.050 0.000 1.146 309 Y CB 1.159 39.567 38.460 -0.087 0.000 1.185 309 Y HN -0.090 nan 8.280 nan 0.000 0.624 310 P HA -0.149 nan 4.420 nan 0.000 0.222 310 P C 0.793 178.165 177.300 0.120 0.000 1.147 310 P CA 1.412 64.575 63.100 0.106 0.000 0.790 310 P CB 0.528 32.261 31.700 0.056 0.000 0.780 311 E N -0.204 120.063 120.200 0.112 0.000 2.153 311 E HA -0.110 4.243 4.350 0.005 0.000 0.194 311 E C 2.097 178.788 176.600 0.152 0.000 0.988 311 E CA 0.825 57.301 56.400 0.125 0.000 0.811 311 E CB -0.444 29.317 29.700 0.102 0.000 0.746 311 E HN 0.338 nan 8.360 nan 0.000 0.466 312 I N 0.886 121.549 120.570 0.156 0.000 2.286 312 I HA -0.209 3.964 4.170 0.005 0.000 0.245 312 I C 2.378 178.586 176.117 0.152 0.000 1.104 312 I CA 0.650 62.017 61.300 0.111 0.000 1.397 312 I CB -0.127 37.957 38.000 0.141 0.000 1.072 312 I HN -0.037 nan 8.210 nan 0.000 0.417 313 S N 0.629 116.462 115.700 0.222 0.000 2.370 313 S HA -0.209 4.264 4.470 0.005 0.000 0.226 313 S C 1.591 176.265 174.600 0.123 0.000 1.033 313 S CA 1.558 59.921 58.200 0.272 0.000 1.011 313 S CB -0.359 63.038 63.200 0.328 0.000 0.852 313 S HN 0.435 nan 8.310 nan 0.000 0.457 314 D N 0.697 121.172 120.400 0.124 0.000 2.097 314 D HA -0.062 4.582 4.640 0.005 0.000 0.195 314 D C 1.583 177.870 176.300 -0.022 0.000 0.989 314 D CA 0.703 54.761 54.000 0.097 0.000 0.827 314 D CB -0.478 40.401 40.800 0.131 0.000 0.966 314 D HN 0.401 nan 8.370 nan 0.000 0.456 315 F N 1.453 121.250 119.950 -0.255 0.000 2.065 315 F HA -0.297 4.233 4.527 0.005 0.000 0.298 315 F C 2.478 178.012 175.800 -0.444 0.000 1.112 315 F CA 1.767 59.425 58.000 -0.570 0.000 1.212 315 F CB -0.057 38.656 39.000 -0.478 0.000 0.975 315 F HN 0.076 nan 8.300 nan 0.000 0.476 316 H N -0.895 118.134 119.070 -0.068 0.000 2.436 316 H HA -0.100 4.459 4.556 0.005 0.000 0.294 316 H C 1.876 176.939 175.328 -0.441 0.000 1.048 316 H CA 1.358 57.197 56.048 -0.348 0.000 1.353 316 H CB -0.640 28.628 29.762 -0.823 0.000 1.414 316 H HN 0.349 nan 8.280 nan 0.000 0.536 317 D N 0.501 120.737 120.400 -0.273 0.000 2.104 317 D HA -0.195 4.449 4.640 0.005 0.000 0.194 317 D C 2.153 178.448 176.300 -0.009 0.000 0.994 317 D CA 0.935 54.948 54.000 0.021 0.000 0.830 317 D CB -0.324 40.561 40.800 0.143 0.000 0.959 317 D HN 0.309 nan 8.370 nan 0.000 0.452 318 Y N -0.064 120.090 120.300 -0.243 0.000 2.089 318 Y HA -0.268 4.285 4.550 0.005 0.000 0.282 318 Y C 2.227 177.828 175.900 -0.500 0.000 1.139 318 Y CA 1.877 59.762 58.100 -0.359 0.000 1.123 318 Y CB -0.829 37.339 38.460 -0.486 0.000 0.980 318 Y HN 0.014 nan 8.280 nan 0.000 0.493 319 Y N 0.177 120.241 120.300 -0.394 0.000 2.333 319 Y HA -0.223 4.330 4.550 0.005 0.000 0.290 319 Y C 2.937 178.599 175.900 -0.396 0.000 1.144 319 Y CA 1.442 59.273 58.100 -0.449 0.000 1.228 319 Y CB -0.553 37.648 38.460 -0.432 0.000 0.985 319 Y HN 0.325 nan 8.280 nan 0.000 0.542 320 S N -0.618 114.973 115.700 -0.182 0.000 2.500 320 S HA -0.098 4.375 4.470 0.005 0.000 0.239 320 S C 2.083 176.293 174.600 -0.650 0.000 0.989 320 S CA 0.995 59.091 58.200 -0.174 0.000 0.951 320 S CB -0.718 62.536 63.200 0.091 0.000 0.759 320 S HN 0.427 nan 8.310 nan 0.000 0.523 321 G N 0.162 108.276 108.800 -1.143 0.000 2.712 321 G HA2 0.274 4.237 3.960 0.005 0.000 0.212 321 G HA3 0.274 4.237 3.960 0.005 0.000 0.212 321 G C 1.094 175.505 174.900 -0.815 0.000 1.142 321 G CA 0.324 44.418 45.100 -1.676 0.000 0.789 321 G HN 0.490 nan 8.290 nan 0.000 0.535 322 L N -1.455 119.419 121.223 -0.582 0.000 2.547 322 L HA 0.387 4.730 4.340 0.005 0.000 0.218 322 L C 0.459 177.199 176.870 -0.217 0.000 1.048 322 L CA 0.512 55.128 54.840 -0.373 0.000 0.859 322 L CB 0.538 42.388 42.059 -0.349 0.000 1.128 322 L HN 0.195 nan 8.230 nan 0.000 0.483 323 Q N 0.682 120.392 119.800 -0.150 0.000 2.263 323 Q HA 0.287 4.630 4.340 0.005 0.000 0.266 323 Q C -1.003 174.990 176.000 -0.013 0.000 1.002 323 Q CA -0.574 55.203 55.803 -0.045 0.000 0.790 323 Q CB 1.456 30.217 28.738 0.038 0.000 1.272 323 Q HN 0.153 nan 8.270 nan 0.000 0.435 324 E N 4.054 124.248 120.200 -0.010 0.000 2.349 324 E HA 0.439 4.792 4.350 0.005 0.000 0.265 324 E C -2.257 174.442 176.600 0.166 0.000 1.064 324 E CA -1.831 54.599 56.400 0.049 0.000 0.886 324 E CB 0.282 29.986 29.700 0.007 0.000 1.036 324 E HN 0.403 nan 8.360 nan 0.000 0.413 325 P HA -0.027 nan 4.420 nan 0.000 0.266 325 P C -0.880 176.605 177.300 0.308 0.000 1.195 325 P CA 0.065 63.308 63.100 0.238 0.000 0.768 325 P CB 0.157 31.962 31.700 0.175 0.000 0.838 326 W N 2.900 124.233 121.300 0.055 0.000 2.430 326 W HA 0.187 4.850 4.660 0.005 0.000 0.380 326 W C 0.549 177.104 176.519 0.060 0.000 1.045 326 W CA 0.303 57.682 57.345 0.058 0.000 1.547 326 W CB -0.602 28.877 29.460 0.031 0.000 1.554 326 W HN 0.280 nan 8.180 nan 0.000 0.378 327 D N 0.775 121.305 120.400 0.216 0.000 2.387 327 D HA 0.632 5.276 4.640 0.005 0.000 0.251 327 D C 0.662 177.053 176.300 0.153 0.000 1.141 327 D CA 0.532 54.630 54.000 0.164 0.000 0.987 327 D CB 1.591 42.468 40.800 0.129 0.000 1.116 327 D HN 0.485 nan 8.370 nan 0.000 0.491 328 G N 0.569 109.444 108.800 0.124 0.000 2.423 328 G HA2 -0.039 3.924 3.960 0.005 0.000 0.684 328 G HA3 -0.039 3.924 3.960 0.005 0.000 0.684 328 G C -2.881 172.088 174.900 0.115 0.000 1.309 328 G CA -1.119 44.046 45.100 0.109 0.000 0.950 328 G HN 0.433 nan 8.290 nan 0.000 0.587 329 P HA 0.439 nan 4.420 nan 0.000 0.265 329 P C -0.086 177.312 177.300 0.164 0.000 1.193 329 P CA 1.207 64.356 63.100 0.082 0.000 0.765 329 P CB 1.127 32.862 31.700 0.060 0.000 0.823 330 A N 3.285 126.204 122.820 0.165 0.000 2.511 330 A HA 0.481 4.804 4.320 0.005 0.000 0.292 330 A C -1.797 175.895 177.584 0.180 0.000 1.045 330 A CA -0.438 51.754 52.037 0.259 0.000 0.870 330 A CB 0.552 19.721 19.000 0.282 0.000 1.361 330 A HN 0.463 nan 8.150 nan 0.000 0.396 331 L N 3.697 125.026 121.223 0.176 0.000 2.287 331 L HA 0.714 5.057 4.340 0.005 0.000 0.287 331 L C -0.993 175.991 176.870 0.191 0.000 1.022 331 L CA -0.412 54.509 54.840 0.135 0.000 0.814 331 L CB 0.794 42.900 42.059 0.080 0.000 1.217 331 L HN 0.586 nan 8.230 nan 0.000 0.420 332 L N 6.195 127.506 121.223 0.147 0.000 2.275 332 L HA 0.569 4.913 4.340 0.005 0.000 0.288 332 L C -0.601 176.231 176.870 -0.064 0.000 1.046 332 L CA -0.813 54.108 54.840 0.136 0.000 0.805 332 L CB 1.512 43.715 42.059 0.239 0.000 1.193 332 L HN 0.310 nan 8.230 nan 0.000 0.426 333 V N 4.181 124.059 119.914 -0.060 0.000 2.448 333 V HA 0.528 4.651 4.120 0.005 0.000 0.295 333 V C -0.413 175.557 176.094 -0.207 0.000 1.025 333 V CA -0.481 61.675 62.300 -0.241 0.000 0.859 333 V CB 1.258 33.048 31.823 -0.055 0.000 0.988 333 V HN 0.538 nan 8.190 nan 0.000 0.431 334 F N 1.824 121.713 119.950 -0.102 0.000 2.588 334 F HA 0.896 5.426 4.527 0.005 0.000 0.314 334 F C -0.222 175.448 175.800 -0.217 0.000 1.069 334 F CA -1.291 56.630 58.000 -0.132 0.000 0.931 334 F CB 2.057 40.973 39.000 -0.140 0.000 1.260 334 F HN 0.329 nan 8.300 nan 0.000 0.465 335 S N 0.428 116.172 115.700 0.073 0.000 2.575 335 S HA 0.296 4.769 4.470 0.005 0.000 0.278 335 S C -0.308 174.243 174.600 -0.082 0.000 1.139 335 S CA -0.512 57.614 58.200 -0.124 0.000 0.954 335 S CB 1.480 64.503 63.200 -0.295 0.000 1.054 335 S HN 0.744 nan 8.310 nan 0.000 0.483 336 D N 2.952 123.261 120.400 -0.151 0.000 2.183 336 D HA 0.159 4.802 4.640 0.005 0.000 0.203 336 D C 1.696 177.928 176.300 -0.113 0.000 0.969 336 D CA 1.824 55.745 54.000 -0.132 0.000 0.842 336 D CB 0.019 40.728 40.800 -0.151 0.000 0.957 336 D HN 1.038 nan 8.370 nan 0.000 0.484 337 G N 0.198 108.877 108.800 -0.202 0.000 2.241 337 G HA2 -0.333 3.630 3.960 0.005 0.000 0.244 337 G HA3 -0.333 3.630 3.960 0.005 0.000 0.244 337 G C 1.352 176.158 174.900 -0.156 0.000 0.998 337 G CA 0.678 45.711 45.100 -0.113 0.000 0.621 337 G HN 0.406 nan 8.290 nan 0.000 0.519 338 K N -0.961 119.331 120.400 -0.180 0.000 2.306 338 K HA 0.503 4.826 4.320 0.005 0.000 0.200 338 K C 0.522 177.003 176.600 -0.199 0.000 1.083 338 K CA 0.391 56.587 56.287 -0.151 0.000 0.959 338 K CB 0.935 33.368 32.500 -0.111 0.000 0.994 338 K HN 0.346 nan 8.250 nan 0.000 0.492 339 I N 0.721 121.152 120.570 -0.233 0.000 2.646 339 I HA 0.234 4.407 4.170 0.005 0.000 0.299 339 I C -1.593 174.311 176.117 -0.355 0.000 1.036 339 I CA -0.973 60.186 61.300 -0.236 0.000 1.074 339 I CB 2.486 40.400 38.000 -0.143 0.000 1.258 339 I HN -0.272 nan 8.210 nan 0.000 0.430 340 V N 5.943 125.592 119.914 -0.441 0.000 2.623 340 V HA 0.987 5.110 4.120 0.005 0.000 0.304 340 V C -0.605 175.038 176.094 -0.752 0.000 1.054 340 V CA 0.241 62.154 62.300 -0.645 0.000 0.882 340 V CB 1.286 32.581 31.823 -0.879 0.000 1.002 340 V HN 0.840 nan 8.190 nan 0.000 0.424 341 G N 4.006 112.315 108.800 -0.819 0.000 2.727 341 G HA2 0.998 4.962 3.960 0.005 0.000 0.289 341 G HA3 0.998 4.962 3.960 0.005 0.000 0.289 341 G C -1.137 173.110 174.900 -1.088 0.000 1.418 341 G CA -0.280 44.347 45.100 -0.788 0.000 0.818 341 G HN 1.718 nan 8.290 nan 0.000 0.486 342 A N -1.529 120.895 122.820 -0.659 0.000 2.594 342 A HA 0.974 5.297 4.320 0.005 0.000 0.295 342 A C -0.318 177.141 177.584 -0.209 0.000 1.071 342 A CA 0.029 51.766 52.037 -0.499 0.000 0.685 342 A CB 1.800 20.740 19.000 -0.100 0.000 1.285 342 A HN 2.187 nan 8.150 nan 0.000 0.405 343 G N -0.006 108.747 108.800 -0.079 0.000 2.718 343 G HA2 0.597 4.560 3.960 0.005 0.000 0.295 343 G HA3 0.597 4.560 3.960 0.005 0.000 0.295 343 G C -1.468 173.468 174.900 0.060 0.000 1.421 343 G CA -0.545 44.582 45.100 0.045 0.000 0.902 343 G HN 0.702 nan 8.290 nan 0.000 0.501 344 L N 0.658 121.912 121.223 0.051 0.000 2.322 344 L HA 0.395 4.738 4.340 0.005 0.000 0.269 344 L C 0.400 177.309 176.870 0.064 0.000 1.012 344 L CA -1.012 53.864 54.840 0.060 0.000 0.815 344 L CB 2.006 44.093 42.059 0.047 0.000 1.295 344 L HN 0.902 nan 8.230 nan 0.000 0.438 345 D N -0.197 120.249 120.400 0.076 0.000 2.354 345 D HA -0.033 4.611 4.640 0.005 0.000 0.238 345 D C 1.132 177.463 176.300 0.052 0.000 1.250 345 D CA -0.379 53.666 54.000 0.074 0.000 0.911 345 D CB 0.597 41.448 40.800 0.085 0.000 1.163 345 D HN 0.563 nan 8.370 nan 0.000 0.456 346 R N 0.348 120.878 120.500 0.050 0.000 2.152 346 R HA -0.115 4.228 4.340 0.005 0.000 0.232 346 R C 0.562 176.885 176.300 0.038 0.000 1.117 346 R CA 0.935 57.058 56.100 0.039 0.000 0.981 346 R CB -0.539 29.788 30.300 0.045 0.000 0.870 346 R HN 0.373 nan 8.270 nan 0.000 0.451 347 N N 0.424 119.143 118.700 0.033 0.000 2.236 347 N HA 0.066 4.809 4.740 0.005 0.000 0.196 347 N C 0.071 175.598 175.510 0.030 0.000 1.114 347 N CA 0.819 53.889 53.050 0.033 0.000 0.859 347 N CB 1.254 39.732 38.487 -0.015 0.000 0.982 347 N HN 0.479 nan 8.380 nan 0.000 0.493 348 G N 1.764 110.583 108.800 0.032 0.000 2.367 348 G HA2 -0.239 3.724 3.960 0.005 0.000 0.295 348 G HA3 -0.239 3.724 3.960 0.005 0.000 0.295 348 G C 0.447 175.369 174.900 0.037 0.000 1.019 348 G CA -0.001 45.128 45.100 0.049 0.000 1.224 348 G HN 0.355 nan 8.290 nan 0.000 0.510 349 L N -0.158 121.053 121.223 -0.021 0.000 2.653 349 L HA 0.337 4.680 4.340 0.005 0.000 0.231 349 L C 1.103 178.078 176.870 0.175 0.000 1.153 349 L CA -0.089 54.690 54.840 -0.103 0.000 0.933 349 L CB -0.080 41.738 42.059 -0.401 0.000 1.175 349 L HN 0.211 nan 8.230 nan 0.000 0.473 350 R N 0.471 121.058 120.500 0.146 0.000 2.750 350 R HA 0.547 4.891 4.340 0.005 0.000 0.281 350 R C -2.665 173.702 176.300 0.111 0.000 0.972 350 R CA -2.235 53.952 56.100 0.145 0.000 0.912 350 R CB 0.779 31.139 30.300 0.100 0.000 1.187 350 R HN -0.265 nan 8.270 nan 0.000 0.464 351 P HA 0.460 nan 4.420 nan 0.000 0.281 351 P C -1.258 176.058 177.300 0.026 0.000 1.249 351 P CA -0.607 62.517 63.100 0.041 0.000 0.810 351 P CB 1.277 32.976 31.700 -0.002 0.000 1.008 352 A N 2.646 125.477 122.820 0.018 0.000 2.442 352 A HA 0.584 4.907 4.320 0.005 0.000 0.284 352 A C -0.507 177.083 177.584 0.011 0.000 1.058 352 A CA -0.662 51.386 52.037 0.018 0.000 0.738 352 A CB 1.231 20.254 19.000 0.039 0.000 1.242 352 A HN 0.382 nan 8.150 nan 0.000 0.421 353 R N 1.399 121.891 120.500 -0.013 0.000 2.599 353 R HA 0.663 5.006 4.340 0.005 0.000 0.295 353 R C -1.438 174.848 176.300 -0.022 0.000 0.963 353 R CA -0.312 55.747 56.100 -0.068 0.000 0.883 353 R CB 2.007 32.258 30.300 -0.082 0.000 1.171 353 R HN 0.867 nan 8.270 nan 0.000 0.450 354 Y N -1.623 118.613 120.300 -0.107 0.000 2.669 354 Y HA 0.745 5.298 4.550 0.005 0.000 0.335 354 Y C -1.005 174.839 175.900 -0.094 0.000 1.116 354 Y CA -1.392 56.631 58.100 -0.129 0.000 1.081 354 Y CB 1.519 39.886 38.460 -0.155 0.000 1.297 354 Y HN 0.514 nan 8.280 nan 0.000 0.484 355 C N 2.125 121.551 119.300 0.209 0.000 2.931 355 C HA 0.773 5.236 4.460 0.005 0.000 0.370 355 C C -1.428 173.666 174.990 0.172 0.000 1.071 355 C CA -0.653 58.425 59.018 0.100 0.000 1.266 355 C CB -0.022 27.759 27.740 0.068 0.000 1.691 355 C HN 0.772 nan 8.230 nan 0.000 0.511 356 I N 4.968 125.629 120.570 0.153 0.000 2.533 356 I HA 0.470 4.643 4.170 0.005 0.000 0.290 356 I C 0.656 176.860 176.117 0.146 0.000 1.056 356 I CA -0.061 61.332 61.300 0.156 0.000 1.057 356 I CB 2.631 40.721 38.000 0.150 0.000 1.240 356 I HN 0.766 nan 8.210 nan 0.000 0.423 357 T N 0.900 115.552 114.554 0.163 0.000 2.849 357 T HA 0.298 4.651 4.350 0.005 0.000 0.276 357 T C 1.062 175.833 174.700 0.119 0.000 0.971 357 T CA -0.685 61.496 62.100 0.136 0.000 0.949 357 T CB 1.200 70.139 68.868 0.118 0.000 1.093 357 T HN 0.770 nan 8.240 nan 0.000 0.545 358 K N 0.016 120.473 120.400 0.095 0.000 2.211 358 K HA -0.117 4.206 4.320 0.005 0.000 0.204 358 K C 0.588 177.236 176.600 0.080 0.000 1.047 358 K CA 1.609 57.944 56.287 0.079 0.000 0.935 358 K CB -0.277 32.258 32.500 0.060 0.000 0.728 358 K HN 0.521 nan 8.250 nan 0.000 0.452 359 D N 1.222 121.679 120.400 0.096 0.000 2.358 359 D HA 0.008 4.651 4.640 0.005 0.000 0.224 359 D C -0.434 175.946 176.300 0.134 0.000 1.123 359 D CA 0.107 54.171 54.000 0.108 0.000 0.833 359 D CB 0.251 41.121 40.800 0.116 0.000 0.946 359 D HN 0.144 nan 8.370 nan 0.000 0.505 360 D N 0.059 120.535 120.400 0.127 0.000 3.039 360 D HA -0.256 4.388 4.640 0.005 0.000 0.222 360 D C -0.154 176.236 176.300 0.149 0.000 1.179 360 D CA 0.532 54.602 54.000 0.116 0.000 0.880 360 D CB -1.925 38.920 40.800 0.075 0.000 1.115 360 D HN 0.460 nan 8.370 nan 0.000 0.416 361 Y N 0.309 120.645 120.300 0.059 0.000 2.620 361 Y HA 0.261 4.815 4.550 0.006 0.000 0.330 361 Y C 0.690 176.631 175.900 0.068 0.000 1.186 361 Y CA 0.457 58.598 58.100 0.067 0.000 1.467 361 Y CB 0.414 38.910 38.460 0.060 0.000 1.262 361 Y HN 0.163 nan 8.280 nan 0.000 0.550 362 I N 5.756 126.334 120.570 0.012 0.000 2.582 362 I HA 0.571 4.744 4.170 0.005 0.000 0.292 362 I C -1.802 174.289 176.117 -0.042 0.000 1.066 362 I CA -0.763 60.560 61.300 0.038 0.000 1.053 362 I CB 1.490 39.507 38.000 0.029 0.000 1.241 362 I HN 0.300 nan 8.210 nan 0.000 0.421 363 V N 7.887 127.778 119.914 -0.038 0.000 2.483 363 V HA 0.519 4.643 4.120 0.005 0.000 0.297 363 V C -0.569 175.387 176.094 -0.231 0.000 1.027 363 V CA -0.536 61.698 62.300 -0.110 0.000 0.855 363 V CB 1.677 33.529 31.823 0.049 0.000 0.995 363 V HN 0.645 nan 8.190 nan 0.000 0.424 364 L N 4.102 125.004 121.223 -0.535 0.000 2.354 364 L HA 1.094 5.437 4.340 0.005 0.000 0.264 364 L C 0.051 176.742 176.870 -0.299 0.000 1.008 364 L CA 0.163 54.730 54.840 -0.456 0.000 0.819 364 L CB 2.295 43.823 42.059 -0.886 0.000 1.339 364 L HN 0.828 nan 8.230 nan 0.000 0.420 365 G N 0.722 109.439 108.800 -0.137 0.000 2.356 365 G HA2 0.211 4.174 3.960 0.005 0.000 0.294 365 G HA3 0.211 4.174 3.960 0.005 0.000 0.294 365 G C -0.333 174.555 174.900 -0.019 0.000 1.423 365 G CA 0.117 45.182 45.100 -0.057 0.000 0.806 365 G HN 0.536 nan 8.290 nan 0.000 0.527 366 S N -0.302 115.400 115.700 0.004 0.000 2.368 366 S HA 0.027 4.501 4.470 0.005 0.000 0.225 366 S C 0.735 175.338 174.600 0.005 0.000 1.030 366 S CA 1.384 59.587 58.200 0.005 0.000 0.999 366 S CB -0.193 63.010 63.200 0.004 0.000 0.844 366 S HN 0.571 nan 8.310 nan 0.000 0.459 367 E N -0.337 119.879 120.200 0.027 0.000 2.244 367 E HA 0.611 4.964 4.350 0.005 0.000 0.266 367 E C 0.611 177.217 176.600 0.010 0.000 0.914 367 E CA -0.316 56.093 56.400 0.016 0.000 0.794 367 E CB 1.627 31.355 29.700 0.046 0.000 1.210 367 E HN 0.126 nan 8.360 nan 0.000 0.414 368 A N 2.302 125.113 122.820 -0.015 0.000 1.855 368 A HA -0.027 4.296 4.320 0.005 0.000 0.215 368 A C 1.673 179.258 177.584 0.002 0.000 1.191 368 A CA 1.501 53.526 52.037 -0.020 0.000 0.613 368 A CB -0.808 18.164 19.000 -0.047 0.000 0.829 368 A HN 0.647 nan 8.150 nan 0.000 0.442 369 G N -0.735 108.068 108.800 0.005 0.000 3.574 369 G HA2 0.374 4.338 3.960 0.005 0.000 0.262 369 G HA3 0.374 4.338 3.960 0.005 0.000 0.262 369 G C 0.395 175.308 174.900 0.021 0.000 1.231 369 G CA 0.254 45.365 45.100 0.019 0.000 1.608 369 G HN 0.233 nan 8.290 nan 0.000 0.628 370 V N -0.137 119.791 119.914 0.024 0.000 3.661 370 V HA 0.165 4.289 4.120 0.005 0.000 0.271 370 V C 0.455 176.550 176.094 0.001 0.000 1.315 370 V CA 0.560 62.870 62.300 0.016 0.000 1.072 370 V CB 0.803 32.646 31.823 0.033 0.000 0.830 370 V HN 0.156 nan 8.190 nan 0.000 0.443 371 V N 2.034 121.959 119.914 0.018 0.000 2.531 371 V HA 0.391 4.514 4.120 0.005 0.000 0.301 371 V C -0.956 175.147 176.094 0.016 0.000 1.034 371 V CA -1.011 61.300 62.300 0.018 0.000 0.865 371 V CB 2.008 33.866 31.823 0.058 0.000 0.995 371 V HN 0.479 nan 8.190 nan 0.000 0.424 372 D N 5.896 126.296 120.400 -0.001 0.000 2.359 372 D HA 0.437 5.080 4.640 0.005 0.000 0.230 372 D C -0.743 175.542 176.300 -0.025 0.000 1.118 372 D CA -0.251 53.743 54.000 -0.009 0.000 0.844 372 D CB 1.801 42.593 40.800 -0.013 0.000 1.059 372 D HN 0.314 nan 8.370 nan 0.000 0.493 373 L N 2.677 123.884 121.223 -0.026 0.000 2.334 373 L HA 0.396 4.740 4.340 0.005 0.000 0.273 373 L C -2.257 174.583 176.870 -0.051 0.000 1.013 373 L CA -2.248 52.562 54.840 -0.049 0.000 0.816 373 L CB 2.027 44.074 42.059 -0.020 0.000 1.278 373 L HN 0.215 nan 8.230 nan 0.000 0.431 374 P HA 0.089 nan 4.420 nan 0.000 0.266 374 P C -0.203 177.067 177.300 -0.050 0.000 1.215 374 P CA -0.225 62.838 63.100 -0.062 0.000 0.763 374 P CB 0.608 32.275 31.700 -0.055 0.000 0.806 375 E N 1.778 121.927 120.200 -0.085 0.000 2.219 375 E HA -0.170 4.184 4.350 0.005 0.000 0.198 375 E C 1.646 178.240 176.600 -0.010 0.000 0.998 375 E CA 0.796 57.160 56.400 -0.060 0.000 0.818 375 E CB -0.827 28.732 29.700 -0.236 0.000 0.741 375 E HN 0.221 nan 8.360 nan 0.000 0.477 376 V N 1.220 121.113 119.914 -0.034 0.000 2.759 376 V HA -0.202 3.921 4.120 0.005 0.000 0.256 376 V C 0.877 176.976 176.094 0.008 0.000 1.080 376 V CA 1.854 64.140 62.300 -0.024 0.000 1.101 376 V CB -0.166 31.639 31.823 -0.031 0.000 0.698 376 V HN 0.196 nan 8.190 nan 0.000 0.477 377 D N -0.284 120.126 120.400 0.018 0.000 2.289 377 D HA 0.118 4.762 4.640 0.005 0.000 0.207 377 D C 0.870 177.220 176.300 0.084 0.000 0.966 377 D CA 0.347 54.368 54.000 0.035 0.000 0.868 377 D CB -0.084 40.720 40.800 0.006 0.000 0.943 377 D HN 0.396 nan 8.370 nan 0.000 0.514 378 I N 1.189 121.831 120.570 0.121 0.000 2.668 378 I HA -0.083 4.090 4.170 0.005 0.000 0.285 378 I C 1.350 177.637 176.117 0.283 0.000 1.168 378 I CA 0.097 61.514 61.300 0.195 0.000 1.424 378 I CB 1.493 39.641 38.000 0.247 0.000 1.377 378 I HN -0.214 nan 8.210 nan 0.000 0.560 379 V N 5.729 125.778 119.914 0.224 0.000 3.604 379 V HA 0.232 4.355 4.120 0.005 0.000 0.277 379 V C 0.332 176.526 176.094 0.166 0.000 1.399 379 V CA 0.600 63.039 62.300 0.231 0.000 1.034 379 V CB 0.258 32.169 31.823 0.148 0.000 0.824 379 V HN 0.829 nan 8.190 nan 0.000 0.439 380 E N 0.752 120.983 120.200 0.053 0.000 2.321 380 E HA 0.356 4.709 4.350 0.005 0.000 0.281 380 E C -1.482 174.984 176.600 -0.223 0.000 0.910 380 E CA -0.585 55.739 56.400 -0.126 0.000 0.770 380 E CB 1.743 31.445 29.700 0.003 0.000 1.225 380 E HN 0.222 nan 8.360 nan 0.000 0.417 381 K N 2.229 122.348 120.400 -0.468 0.000 2.394 381 K HA 0.567 4.890 4.320 0.005 0.000 0.260 381 K C -0.314 175.983 176.600 -0.505 0.000 0.967 381 K CA -0.625 55.405 56.287 -0.428 0.000 0.855 381 K CB 1.994 34.253 32.500 -0.403 0.000 1.101 381 K HN 0.533 nan 8.250 nan 0.000 0.433 382 G N 2.005 110.325 108.800 -0.800 0.000 3.105 382 G HA2 0.725 4.689 3.960 0.005 0.000 0.277 382 G HA3 0.725 4.689 3.960 0.005 0.000 0.277 382 G C -1.183 173.123 174.900 -0.990 0.000 1.375 382 G CA -0.854 43.662 45.100 -0.973 0.000 0.962 382 G HN 0.615 nan 8.290 nan 0.000 0.541 383 R N -1.331 118.799 120.500 -0.618 0.000 2.734 383 R HA 0.564 4.908 4.340 0.005 0.000 0.271 383 R C -1.423 174.907 176.300 0.049 0.000 1.021 383 R CA -0.991 54.976 56.100 -0.221 0.000 0.893 383 R CB 1.151 31.367 30.300 -0.140 0.000 1.244 383 R HN 0.370 nan 8.270 nan 0.000 0.464 384 L N 1.769 123.053 121.223 0.102 0.000 2.305 384 L HA 0.535 4.878 4.340 0.005 0.000 0.281 384 L C 0.497 177.389 176.870 0.036 0.000 1.085 384 L CA -0.627 54.265 54.840 0.087 0.000 0.813 384 L CB 1.436 43.538 42.059 0.072 0.000 1.157 384 L HN 0.864 nan 8.230 nan 0.000 0.436 385 A N 5.626 128.456 122.820 0.017 0.000 2.242 385 A HA 0.662 4.985 4.320 0.005 0.000 0.304 385 A C -2.402 175.188 177.584 0.010 0.000 1.100 385 A CA -1.660 50.382 52.037 0.009 0.000 0.860 385 A CB 0.018 19.015 19.000 -0.005 0.000 1.168 385 A HN 0.464 nan 8.150 nan 0.000 0.503 386 P HA 0.209 nan 4.420 nan 0.000 0.262 386 P C 0.879 178.184 177.300 0.009 0.000 1.182 386 P CA 2.137 65.253 63.100 0.027 0.000 0.761 386 P CB 0.427 32.150 31.700 0.038 0.000 0.795 387 G N 1.568 110.376 108.800 0.012 0.000 2.189 387 G HA2 -0.286 3.677 3.960 0.005 0.000 0.267 387 G HA3 -0.286 3.677 3.960 0.005 0.000 0.267 387 G C 0.194 175.075 174.900 -0.031 0.000 0.975 387 G CA -0.120 44.979 45.100 -0.001 0.000 0.644 387 G HN 0.567 nan 8.290 nan 0.000 0.537 388 Q N -0.509 119.264 119.800 -0.045 0.000 2.256 388 Q HA 0.785 5.128 4.340 0.005 0.000 0.232 388 Q C 0.645 176.604 176.000 -0.068 0.000 0.965 388 Q CA -0.106 55.637 55.803 -0.099 0.000 0.908 388 Q CB 0.775 29.453 28.738 -0.100 0.000 1.209 388 Q HN 0.521 nan 8.270 nan 0.000 0.489 389 M N 1.512 121.048 119.600 -0.106 0.000 2.593 389 M HA 0.611 5.094 4.480 0.005 0.000 0.290 389 M C -1.148 175.084 176.300 -0.114 0.000 1.244 389 M CA -0.836 54.421 55.300 -0.073 0.000 0.857 389 M CB 2.216 34.797 32.600 -0.033 0.000 1.738 389 M HN 0.599 nan 8.290 nan 0.000 0.461 390 I N 1.010 121.510 120.570 -0.117 0.000 2.802 390 I HA 0.912 5.085 4.170 0.005 0.000 0.298 390 I C -1.739 174.297 176.117 -0.134 0.000 1.176 390 I CA -0.291 60.913 61.300 -0.159 0.000 1.025 390 I CB 2.013 39.841 38.000 -0.286 0.000 1.243 390 I HN 0.943 nan 8.210 nan 0.000 0.424 391 A N 5.630 128.369 122.820 -0.135 0.000 2.566 391 A HA 0.822 5.145 4.320 0.005 0.000 0.292 391 A C -1.905 175.589 177.584 -0.151 0.000 1.112 391 A CA -0.540 51.397 52.037 -0.167 0.000 0.707 391 A CB 1.957 20.884 19.000 -0.121 0.000 1.302 391 A HN 0.406 nan 8.150 nan 0.000 0.409 392 V N 1.659 121.447 119.914 -0.210 0.000 2.459 392 V HA 0.326 4.449 4.120 0.005 0.000 0.295 392 V C -0.620 175.377 176.094 -0.161 0.000 1.029 392 V CA -0.547 61.659 62.300 -0.157 0.000 0.874 392 V CB 1.748 33.480 31.823 -0.151 0.000 0.985 392 V HN 0.891 nan 8.190 nan 0.000 0.438 393 D N 4.302 124.635 120.400 -0.111 0.000 2.393 393 D HA 0.228 4.872 4.640 0.005 0.000 0.232 393 D C 1.005 177.251 176.300 -0.090 0.000 1.192 393 D CA -0.129 53.811 54.000 -0.101 0.000 0.882 393 D CB 1.365 42.121 40.800 -0.073 0.000 1.038 393 D HN 0.447 nan 8.370 nan 0.000 0.499 394 L N 3.191 124.347 121.223 -0.112 0.000 2.083 394 L HA -0.158 4.185 4.340 0.005 0.000 0.209 394 L C 2.535 179.377 176.870 -0.045 0.000 1.083 394 L CA 1.192 55.984 54.840 -0.080 0.000 0.752 394 L CB -0.265 41.737 42.059 -0.096 0.000 0.899 394 L HN 0.398 nan 8.230 nan 0.000 0.433 395 A N -0.406 122.385 122.820 -0.049 0.000 1.897 395 A HA -0.166 4.157 4.320 0.005 0.000 0.215 395 A C 2.186 179.755 177.584 -0.025 0.000 1.181 395 A CA 1.323 53.341 52.037 -0.032 0.000 0.620 395 A CB -0.312 18.668 19.000 -0.035 0.000 0.821 395 A HN 0.400 nan 8.150 nan 0.000 0.443 396 E N -0.977 119.204 120.200 -0.031 0.000 2.435 396 E HA -0.014 4.339 4.350 0.005 0.000 0.195 396 E C -0.407 176.183 176.600 -0.017 0.000 1.029 396 E CA 0.150 56.536 56.400 -0.024 0.000 0.865 396 E CB 0.022 29.705 29.700 -0.028 0.000 0.833 396 E HN 0.612 nan 8.360 nan 0.000 0.510 397 Q N 0.386 120.175 119.800 -0.019 0.000 2.464 397 Q HA -0.178 4.165 4.340 0.005 0.000 0.304 397 Q C -1.011 174.984 176.000 -0.009 0.000 1.401 397 Q CA 0.725 56.522 55.803 -0.009 0.000 0.806 397 Q CB -0.916 27.825 28.738 0.006 0.000 1.134 397 Q HN 0.056 nan 8.270 nan 0.000 0.411 398 K N 0.344 120.731 120.400 -0.022 0.000 2.422 398 K HA 0.562 4.885 4.320 0.005 0.000 0.251 398 K C -0.553 176.028 176.600 -0.033 0.000 0.933 398 K CA -0.933 55.341 56.287 -0.020 0.000 0.798 398 K CB 1.663 34.149 32.500 -0.023 0.000 1.238 398 K HN 0.078 nan 8.250 nan 0.000 0.428 399 I N 3.958 124.513 120.570 -0.026 0.000 2.325 399 I HA 0.197 4.370 4.170 0.005 0.000 0.291 399 I C -0.276 175.811 176.117 -0.050 0.000 1.019 399 I CA -0.479 60.795 61.300 -0.043 0.000 1.302 399 I CB 0.557 38.536 38.000 -0.035 0.000 1.401 399 I HN 0.252 nan 8.210 nan 0.000 0.485 400 L N 7.392 128.573 121.223 -0.070 0.000 2.272 400 L HA 0.458 4.801 4.340 0.005 0.000 0.289 400 L C 0.161 176.976 176.870 -0.091 0.000 1.032 400 L CA -0.853 53.946 54.840 -0.068 0.000 0.810 400 L CB 0.722 42.737 42.059 -0.072 0.000 1.205 400 L HN 0.492 nan 8.230 nan 0.000 0.422 401 K N 1.646 122.001 120.400 -0.075 0.000 2.109 401 K HA 0.165 4.488 4.320 0.005 0.000 0.243 401 K C 0.676 177.193 176.600 -0.138 0.000 1.006 401 K CA -0.551 55.677 56.287 -0.098 0.000 0.917 401 K CB 1.165 33.636 32.500 -0.048 0.000 1.081 401 K HN 0.415 nan 8.250 nan 0.000 0.468 402 N N 0.663 119.238 118.700 -0.209 0.000 2.064 402 N HA -0.269 4.474 4.740 0.005 0.000 0.200 402 N C 1.602 176.849 175.510 -0.439 0.000 1.028 402 N CA 2.128 54.957 53.050 -0.369 0.000 0.880 402 N CB -0.299 37.863 38.487 -0.541 0.000 1.062 402 N HN 0.535 nan 8.380 nan 0.000 0.454 403 Y N 0.213 120.409 120.300 -0.173 0.000 2.263 403 Y HA -0.098 4.455 4.550 0.005 0.000 0.292 403 Y C 2.599 178.391 175.900 -0.180 0.000 1.130 403 Y CA 1.150 59.063 58.100 -0.312 0.000 1.179 403 Y CB -0.171 37.939 38.460 -0.584 0.000 0.998 403 Y HN 0.269 nan 8.280 nan 0.000 0.532 404 Q N 0.396 120.217 119.800 0.035 0.000 2.030 404 Q HA -0.205 4.138 4.340 0.005 0.000 0.204 404 Q C 2.185 178.172 176.000 -0.020 0.000 0.986 404 Q CA 2.163 57.986 55.803 0.034 0.000 0.843 404 Q CB -0.515 28.233 28.738 0.017 0.000 0.904 404 Q HN 0.519 nan 8.270 nan 0.000 0.420 405 I N 1.124 121.653 120.570 -0.068 0.000 2.118 405 I HA -0.329 3.844 4.170 0.005 0.000 0.241 405 I C 2.391 178.439 176.117 -0.114 0.000 1.070 405 I CA 1.475 62.721 61.300 -0.090 0.000 1.327 405 I CB -0.399 37.537 38.000 -0.107 0.000 1.034 405 I HN 0.203 nan 8.210 nan 0.000 0.405 406 K N 0.254 120.573 120.400 -0.136 0.000 2.026 406 K HA -0.233 4.090 4.320 0.005 0.000 0.208 406 K C 2.133 178.646 176.600 -0.145 0.000 1.048 406 K CA 1.348 57.525 56.287 -0.184 0.000 0.929 406 K CB -0.398 32.010 32.500 -0.153 0.000 0.713 406 K HN 0.424 nan 8.250 nan 0.000 0.439 407 Q N 1.255 121.042 119.800 -0.022 0.000 2.096 407 Q HA -0.220 4.124 4.340 0.005 0.000 0.204 407 Q C 2.170 178.174 176.000 0.006 0.000 0.982 407 Q CA 1.526 57.362 55.803 0.055 0.000 0.850 407 Q CB 0.058 28.911 28.738 0.192 0.000 0.901 407 Q HN 0.356 nan 8.270 nan 0.000 0.422 408 Q N -0.829 118.960 119.800 -0.019 0.000 2.135 408 Q HA -0.191 4.153 4.340 0.005 0.000 0.204 408 Q C 1.914 177.891 176.000 -0.038 0.000 0.981 408 Q CA 1.415 57.201 55.803 -0.029 0.000 0.856 408 Q CB -0.091 28.625 28.738 -0.037 0.000 0.902 408 Q HN 0.418 nan 8.270 nan 0.000 0.425 409 A N 0.680 123.450 122.820 -0.083 0.000 1.874 409 A HA -0.011 4.313 4.320 0.005 0.000 0.214 409 A C 2.279 179.902 177.584 0.065 0.000 1.189 409 A CA 1.263 53.262 52.037 -0.062 0.000 0.615 409 A CB -0.800 18.063 19.000 -0.229 0.000 0.830 409 A HN 0.389 nan 8.150 nan 0.000 0.443 410 A N 0.492 123.276 122.820 -0.059 0.000 1.948 410 A HA -0.253 4.070 4.320 0.005 0.000 0.220 410 A C 2.155 179.908 177.584 0.283 0.000 1.177 410 A CA 1.855 54.017 52.037 0.207 0.000 0.636 410 A CB -0.716 18.315 19.000 0.052 0.000 0.815 410 A HN 0.783 nan 8.150 nan 0.000 0.449 411 Q N -0.707 119.156 119.800 0.106 0.000 2.482 411 Q HA 0.036 4.379 4.340 0.005 0.000 0.209 411 Q C 1.280 177.234 176.000 -0.076 0.000 0.961 411 Q CA 0.793 56.610 55.803 0.023 0.000 0.945 411 Q CB -0.189 28.547 28.738 -0.004 0.000 1.012 411 Q HN 0.589 nan 8.270 nan 0.000 0.515 412 K N -0.063 120.294 120.400 -0.072 0.000 2.280 412 K HA -0.054 4.270 4.320 0.005 0.000 0.202 412 K C -0.488 175.651 176.600 -0.769 0.000 1.047 412 K CA 0.910 56.987 56.287 -0.350 0.000 0.942 412 K CB 0.146 32.472 32.500 -0.290 0.000 0.739 412 K HN 0.259 nan 8.250 nan 0.000 0.457 413 Y N -0.730 119.308 120.300 -0.436 0.000 2.513 413 Y HA 0.181 4.734 4.550 0.005 0.000 0.340 413 Y C -2.299 172.989 175.900 -1.021 0.000 1.055 413 Y CA -2.467 55.093 58.100 -0.900 0.000 1.020 413 Y CB 1.777 39.302 38.460 -1.559 0.000 1.301 413 Y HN -0.123 nan 8.280 nan 0.000 0.453 414 P HA 0.062 nan 4.420 nan 0.000 0.225 414 P C 0.074 176.811 177.300 -0.939 0.000 1.768 414 P CA 0.391 63.054 63.100 -0.729 0.000 0.943 414 P CB -0.601 30.775 31.700 -0.539 0.000 1.936 415 Y N 0.779 120.641 120.300 -0.730 0.000 2.114 415 Y HA -0.250 4.303 4.550 0.005 0.000 0.282 415 Y C 2.827 178.589 175.900 -0.231 0.000 1.165 415 Y CA 1.665 59.405 58.100 -0.600 0.000 1.148 415 Y CB -1.350 36.869 38.460 -0.401 0.000 0.972 415 Y HN 0.186 nan 8.280 nan 0.000 0.504 416 G N -0.133 108.680 108.800 0.022 0.000 2.553 416 G HA2 -0.348 3.615 3.960 0.005 0.000 0.218 416 G HA3 -0.348 3.615 3.960 0.005 0.000 0.218 416 G C 1.434 176.356 174.900 0.037 0.000 1.195 416 G CA 1.442 46.572 45.100 0.049 0.000 0.779 416 G HN 0.427 nan 8.290 nan 0.000 0.577 417 E N -0.609 119.560 120.200 -0.052 0.000 2.065 417 E HA -0.217 4.136 4.350 0.005 0.000 0.201 417 E C 2.335 179.030 176.600 0.158 0.000 1.016 417 E CA 1.539 57.941 56.400 0.004 0.000 0.818 417 E CB -0.204 29.457 29.700 -0.064 0.000 0.749 417 E HN 0.612 nan 8.360 nan 0.000 0.453 418 W N 0.431 121.736 121.300 0.009 0.000 2.317 418 W HA -0.184 4.478 4.660 0.004 0.000 0.318 418 W C 2.214 178.774 176.519 0.068 0.000 1.227 418 W CA 0.646 58.005 57.345 0.023 0.000 1.269 418 W CB -1.298 28.161 29.460 -0.001 0.000 1.155 418 W HN 0.160 nan 8.180 nan 0.000 0.484 419 I N 0.293 121.071 120.570 0.346 0.000 2.118 419 I HA -0.370 3.803 4.170 0.005 0.000 0.241 419 I C 2.574 178.792 176.117 0.168 0.000 1.070 419 I CA 1.956 63.401 61.300 0.241 0.000 1.327 419 I CB -0.718 37.414 38.000 0.219 0.000 1.034 419 I HN -0.069 nan 8.210 nan 0.000 0.405 420 K N 0.760 121.246 120.400 0.143 0.000 2.044 420 K HA -0.217 4.106 4.320 0.005 0.000 0.210 420 K C 2.046 178.702 176.600 0.094 0.000 1.049 420 K CA 1.585 57.934 56.287 0.102 0.000 0.927 420 K CB 0.043 32.592 32.500 0.082 0.000 0.713 420 K HN 0.208 nan 8.250 nan 0.000 0.443 421 I N 0.857 121.495 120.570 0.113 0.000 2.286 421 I HA -0.187 3.987 4.170 0.005 0.000 0.245 421 I C 2.148 178.310 176.117 0.075 0.000 1.104 421 I CA 1.325 62.679 61.300 0.091 0.000 1.397 421 I CB -0.967 37.096 38.000 0.105 0.000 1.072 421 I HN 0.295 nan 8.210 nan 0.000 0.417 422 Q N 0.165 120.021 119.800 0.093 0.000 2.349 422 Q HA 0.077 4.420 4.340 0.005 0.000 0.209 422 Q C 1.314 177.350 176.000 0.061 0.000 0.920 422 Q CA 0.178 56.017 55.803 0.061 0.000 0.901 422 Q CB 0.164 28.930 28.738 0.047 0.000 1.021 422 Q HN 0.405 nan 8.270 nan 0.000 0.519 423 R N 1.743 122.295 120.500 0.087 0.000 2.347 423 R HA 0.105 4.448 4.340 0.005 0.000 0.304 423 R C -0.279 176.056 176.300 0.058 0.000 1.072 423 R CA 0.098 56.250 56.100 0.086 0.000 0.980 423 R CB 0.542 30.916 30.300 0.123 0.000 0.986 423 R HN 0.010 nan 8.270 nan 0.000 0.448 424 Q N 2.465 122.290 119.800 0.041 0.000 2.290 424 Q HA 0.194 4.537 4.340 0.005 0.000 0.259 424 Q C -1.111 174.892 176.000 0.004 0.000 0.941 424 Q CA -0.369 55.446 55.803 0.020 0.000 0.912 424 Q CB 1.906 30.650 28.738 0.009 0.000 1.244 424 Q HN 0.569 nan 8.270 nan 0.000 0.441 425 T N 2.882 117.433 114.554 -0.005 0.000 2.758 425 T HA 0.334 4.688 4.350 0.005 0.000 0.285 425 T C -0.655 174.020 174.700 -0.041 0.000 0.981 425 T CA -0.347 61.735 62.100 -0.029 0.000 0.965 425 T CB 0.852 69.710 68.868 -0.017 0.000 0.927 425 T HN 0.315 nan 8.240 nan 0.000 0.448 426 V N 3.670 123.547 119.914 -0.062 0.000 2.257 426 V HA 0.711 4.834 4.120 0.005 0.000 0.269 426 V C 0.034 176.081 176.094 -0.078 0.000 1.040 426 V CA -0.624 61.639 62.300 -0.063 0.000 0.813 426 V CB 0.456 32.243 31.823 -0.060 0.000 1.065 426 V HN 1.023 nan 8.190 nan 0.000 0.457 427 A N 3.363 126.139 122.820 -0.074 0.000 2.398 427 A HA 0.857 5.180 4.320 0.005 0.000 0.301 427 A C -0.392 177.136 177.584 -0.094 0.000 1.041 427 A CA -0.514 51.470 52.037 -0.087 0.000 0.711 427 A CB 2.075 21.030 19.000 -0.076 0.000 1.240 427 A HN 0.701 nan 8.150 nan 0.000 0.420 428 S N 1.280 116.902 115.700 -0.130 0.000 2.561 428 S HA 0.442 4.916 4.470 0.005 0.000 0.303 428 S C -0.403 174.084 174.600 -0.188 0.000 1.110 428 S CA -0.511 57.601 58.200 -0.147 0.000 1.034 428 S CB 1.251 64.353 63.200 -0.163 0.000 1.010 428 S HN 0.544 nan 8.310 nan 0.000 0.482 429 D N 2.560 122.885 120.400 -0.125 0.000 2.234 429 D HA 0.116 4.760 4.640 0.005 0.000 0.205 429 D C 0.325 176.564 176.300 -0.101 0.000 0.962 429 D CA 0.901 54.844 54.000 -0.095 0.000 0.855 429 D CB 0.190 40.967 40.800 -0.038 0.000 0.951 429 D HN 0.482 nan 8.370 nan 0.000 0.500 430 S N -0.104 115.530 115.700 -0.109 0.000 2.554 430 S HA 0.369 4.843 4.470 0.005 0.000 0.278 430 S C 0.008 174.514 174.600 -0.156 0.000 1.242 430 S CA -0.632 57.540 58.200 -0.046 0.000 1.051 430 S CB 0.924 64.111 63.200 -0.021 0.000 0.986 430 S HN -0.060 nan 8.310 nan 0.000 0.502 431 F N 1.099 121.031 119.950 -0.029 0.000 2.403 431 F HA 0.582 5.100 4.527 -0.015 0.000 0.326 431 F C 0.834 176.612 175.800 -0.036 0.000 1.099 431 F CA -0.863 57.120 58.000 -0.028 0.000 1.036 431 F CB 0.551 39.532 39.000 -0.032 0.000 1.336 431 F HN 0.547 nan 8.300 nan 0.000 0.497 432 A N 0.914 123.856 122.820 0.204 0.000 2.310 432 A HA 0.259 4.582 4.320 0.005 0.000 0.300 432 A C 0.761 178.387 177.584 0.069 0.000 1.269 432 A CA -0.274 51.819 52.037 0.093 0.000 0.909 432 A CB -0.025 19.007 19.000 0.053 0.000 1.144 432 A HN 0.901 nan 8.150 nan 0.000 0.540 433 E N 1.836 122.048 120.200 0.020 0.000 2.122 433 E HA -0.044 4.309 4.350 0.005 0.000 0.190 433 E C 0.593 177.168 176.600 -0.042 0.000 0.977 433 E CA 0.331 56.707 56.400 -0.040 0.000 0.820 433 E CB 0.119 29.781 29.700 -0.063 0.000 0.770 433 E HN 0.665 nan 8.360 nan 0.000 0.462 434 K N 2.336 122.722 120.400 -0.022 0.000 2.436 434 K HA -0.005 4.318 4.320 0.005 0.000 0.275 434 K C -0.116 176.466 176.600 -0.030 0.000 0.999 434 K CA 0.086 56.362 56.287 -0.019 0.000 0.980 434 K CB 0.642 33.135 32.500 -0.011 0.000 0.919 434 K HN -0.011 nan 8.250 nan 0.000 0.484 435 T N 1.390 115.926 114.554 -0.031 0.000 2.828 435 T HA 0.137 4.490 4.350 0.005 0.000 0.290 435 T C 1.651 176.291 174.700 -0.100 0.000 1.019 435 T CA -0.639 61.422 62.100 -0.065 0.000 1.031 435 T CB 0.699 69.544 68.868 -0.039 0.000 1.001 435 T HN 0.529 nan 8.240 nan 0.000 0.531 436 L N -0.557 120.528 121.223 -0.231 0.000 2.084 436 L HA 0.277 4.620 4.340 0.005 0.000 0.202 436 L C 0.540 177.307 176.870 -0.171 0.000 1.074 436 L CA 0.749 55.399 54.840 -0.317 0.000 0.757 436 L CB -0.218 41.446 42.059 -0.658 0.000 0.918 436 L HN 0.588 nan 8.230 nan 0.000 0.444 437 F N -0.753 119.214 119.950 0.029 0.000 2.432 437 F HA 0.329 4.862 4.527 0.010 0.000 0.329 437 F C 0.943 176.755 175.800 0.019 0.000 1.076 437 F CA -1.143 56.871 58.000 0.025 0.000 1.018 437 F CB 0.699 39.716 39.000 0.028 0.000 1.201 437 F HN -0.155 nan 8.300 nan 0.000 0.489 438 N N 0.287 119.114 118.700 0.212 0.000 2.591 438 N HA 0.057 4.800 4.740 0.005 0.000 0.200 438 N C -0.300 175.264 175.510 0.090 0.000 1.040 438 N CA 0.347 53.465 53.050 0.112 0.000 0.911 438 N CB -0.213 38.324 38.487 0.084 0.000 1.259 438 N HN 0.599 nan 8.380 nan 0.000 0.438 439 D N -0.325 120.126 120.400 0.085 0.000 2.414 439 D HA 0.439 5.083 4.640 0.005 0.000 0.251 439 D C 1.020 177.355 176.300 0.058 0.000 1.252 439 D CA 0.010 54.041 54.000 0.053 0.000 0.999 439 D CB 0.968 41.787 40.800 0.033 0.000 1.093 439 D HN 0.138 nan 8.370 nan 0.000 0.515 440 A N -0.240 122.599 122.820 0.032 0.000 1.859 440 A HA -0.115 4.208 4.320 0.005 0.000 0.212 440 A C 1.854 179.446 177.584 0.013 0.000 1.238 440 A CA 0.726 52.777 52.037 0.023 0.000 0.613 440 A CB -0.708 18.296 19.000 0.006 0.000 0.904 440 A HN 0.638 nan 8.150 nan 0.000 0.457 441 Q N -0.371 119.427 119.800 -0.004 0.000 2.297 441 Q HA -0.158 4.185 4.340 0.005 0.000 0.208 441 Q C 1.788 177.765 176.000 -0.038 0.000 0.981 441 Q CA 1.798 57.588 55.803 -0.023 0.000 0.876 441 Q CB -0.250 28.473 28.738 -0.025 0.000 0.921 441 Q HN 0.646 nan 8.270 nan 0.000 0.446 442 T N -0.155 114.378 114.554 -0.036 0.000 2.708 442 T HA -0.117 4.236 4.350 0.005 0.000 0.266 442 T C 1.802 176.431 174.700 -0.119 0.000 1.037 442 T CA 1.529 63.563 62.100 -0.111 0.000 1.146 442 T CB -0.138 68.636 68.868 -0.156 0.000 0.865 442 T HN 0.152 nan 8.240 nan 0.000 0.435 443 V N 1.098 121.036 119.914 0.040 0.000 2.427 443 V HA -0.055 4.068 4.120 0.005 0.000 0.248 443 V C 2.392 178.477 176.094 -0.015 0.000 1.051 443 V CA 0.935 63.313 62.300 0.129 0.000 1.048 443 V CB -0.720 31.211 31.823 0.181 0.000 0.666 443 V HN 0.254 nan 8.190 nan 0.000 0.456 444 L N 0.187 121.386 121.223 -0.040 0.000 1.976 444 L HA -0.203 4.140 4.340 0.005 0.000 0.209 444 L C 2.665 179.478 176.870 -0.094 0.000 1.071 444 L CA 2.346 57.143 54.840 -0.072 0.000 0.746 444 L CB -1.054 40.970 42.059 -0.058 0.000 0.890 444 L HN 0.447 nan 8.230 nan 0.000 0.432 445 Q N -1.426 118.307 119.800 -0.113 0.000 2.077 445 Q HA -0.272 4.071 4.340 0.005 0.000 0.206 445 Q C 2.119 178.020 176.000 -0.165 0.000 0.989 445 Q CA 1.907 57.594 55.803 -0.192 0.000 0.853 445 Q CB -0.090 28.526 28.738 -0.203 0.000 0.907 445 Q HN 0.513 nan 8.270 nan 0.000 0.418 446 Q N 0.141 119.907 119.800 -0.057 0.000 2.084 446 Q HA -0.206 4.137 4.340 0.005 0.000 0.202 446 Q C 2.038 178.152 176.000 0.190 0.000 0.978 446 Q CA 1.699 57.575 55.803 0.121 0.000 0.844 446 Q CB -0.156 28.661 28.738 0.132 0.000 0.898 446 Q HN 0.596 nan 8.270 nan 0.000 0.426 447 Q N -0.147 119.640 119.800 -0.022 0.000 2.079 447 Q HA -0.083 4.260 4.340 0.005 0.000 0.200 447 Q C 2.084 178.141 176.000 0.095 0.000 0.974 447 Q CA 1.300 57.006 55.803 -0.162 0.000 0.840 447 Q CB -0.152 28.310 28.738 -0.459 0.000 0.898 447 Q HN 0.378 nan 8.270 nan 0.000 0.430 448 A N 1.052 123.891 122.820 0.032 0.000 1.902 448 A HA -0.141 4.182 4.320 0.005 0.000 0.217 448 A C 2.271 179.926 177.584 0.118 0.000 1.181 448 A CA 1.657 53.746 52.037 0.088 0.000 0.623 448 A CB -0.798 18.199 19.000 -0.006 0.000 0.818 448 A HN 0.405 nan 8.150 nan 0.000 0.443 449 A N -1.685 121.144 122.820 0.015 0.000 2.015 449 A HA 0.081 4.404 4.320 0.005 0.000 0.219 449 A C 1.564 179.172 177.584 0.040 0.000 1.163 449 A CA 1.086 53.133 52.037 0.017 0.000 0.646 449 A CB -0.588 18.360 19.000 -0.086 0.000 0.806 449 A HN 0.476 nan 8.150 nan 0.000 0.448 450 F N -0.620 119.428 119.950 0.164 0.000 2.692 450 F HA 0.368 4.900 4.527 0.008 0.000 0.303 450 F C 1.699 177.526 175.800 0.044 0.000 1.114 450 F CA 0.659 58.745 58.000 0.144 0.000 1.361 450 F CB 0.267 39.309 39.000 0.070 0.000 1.063 450 F HN 0.347 nan 8.300 nan 0.000 0.550 451 G N -0.869 107.771 108.800 -0.266 0.000 2.141 451 G HA2 -0.319 3.645 3.960 0.005 0.000 0.242 451 G HA3 -0.319 3.645 3.960 0.005 0.000 0.242 451 G C -0.006 174.767 174.900 -0.212 0.000 0.982 451 G CA -0.555 43.878 45.100 -1.112 0.000 0.662 451 G HN 0.263 nan 8.290 nan 0.000 0.527 452 Y N 0.610 120.818 120.300 -0.153 0.000 2.397 452 Y HA 0.579 5.132 4.550 0.004 0.000 0.335 452 Y C 1.227 177.137 175.900 0.017 0.000 1.213 452 Y CA 0.736 58.659 58.100 -0.294 0.000 1.391 452 Y CB 1.201 39.376 38.460 -0.475 0.000 1.293 452 Y HN 0.075 nan 8.280 nan 0.000 0.557 453 T N 0.584 115.279 114.554 0.235 0.000 2.901 453 T HA 0.510 4.863 4.350 0.005 0.000 0.293 453 T C 0.765 175.560 174.700 0.159 0.000 1.084 453 T CA -0.095 62.194 62.100 0.316 0.000 1.008 453 T CB 1.517 70.732 68.868 0.580 0.000 1.170 453 T HN 0.721 nan 8.240 nan 0.000 0.509 454 A N 1.044 123.917 122.820 0.089 0.000 1.933 454 A HA -0.063 4.260 4.320 0.005 0.000 0.218 454 A C 1.796 179.407 177.584 0.045 0.000 1.175 454 A CA 1.792 53.845 52.037 0.026 0.000 0.628 454 A CB -0.530 18.451 19.000 -0.030 0.000 0.814 454 A HN 0.909 nan 8.150 nan 0.000 0.444 455 E N -0.125 120.135 120.200 0.100 0.000 2.208 455 E HA -0.125 4.228 4.350 0.005 0.000 0.193 455 E C 1.173 177.845 176.600 0.121 0.000 0.988 455 E CA 0.755 57.219 56.400 0.107 0.000 0.828 455 E CB -0.115 29.681 29.700 0.160 0.000 0.763 455 E HN 0.575 nan 8.360 nan 0.000 0.478 456 D N 0.518 121.011 120.400 0.155 0.000 2.123 456 D HA -0.157 4.486 4.640 0.005 0.000 0.196 456 D C 2.156 178.431 176.300 -0.043 0.000 0.992 456 D CA 1.397 55.456 54.000 0.098 0.000 0.833 456 D CB -0.119 40.644 40.800 -0.061 0.000 0.954 456 D HN 0.168 nan 8.370 nan 0.000 0.455 457 V N 0.424 120.300 119.914 -0.064 0.000 2.379 457 V HA -0.121 4.002 4.120 0.005 0.000 0.243 457 V C 1.922 177.962 176.094 -0.089 0.000 1.035 457 V CA 1.507 63.754 62.300 -0.089 0.000 1.035 457 V CB -0.261 31.506 31.823 -0.094 0.000 0.673 457 V HN -0.062 nan 8.190 nan 0.000 0.457 458 E N 0.109 120.282 120.200 -0.046 0.000 2.106 458 E HA -0.085 4.269 4.350 0.005 0.000 0.192 458 E C 2.119 178.689 176.600 -0.050 0.000 0.984 458 E CA 2.076 58.448 56.400 -0.046 0.000 0.806 458 E CB -0.158 29.536 29.700 -0.010 0.000 0.750 458 E HN 0.602 nan 8.360 nan 0.000 0.458 459 M N -0.786 118.800 119.600 -0.024 0.000 2.367 459 M HA 0.100 4.583 4.480 0.005 0.000 0.256 459 M C 1.272 177.565 176.300 -0.013 0.000 1.091 459 M CA 0.332 55.614 55.300 -0.031 0.000 1.049 459 M CB 1.085 33.654 32.600 -0.051 0.000 1.406 459 M HN 0.004 nan 8.290 nan 0.000 0.498 460 V N -1.053 118.877 119.914 0.026 0.000 3.097 460 V HA 0.030 4.154 4.120 0.005 0.000 0.223 460 V C 2.144 178.283 176.094 0.075 0.000 1.199 460 V CA 0.355 62.703 62.300 0.079 0.000 1.260 460 V CB 0.004 31.943 31.823 0.193 0.000 1.155 460 V HN 0.053 nan 8.190 nan 0.000 0.509 461 V N 0.532 120.500 119.914 0.089 0.000 2.255 461 V HA -0.250 3.873 4.120 0.005 0.000 0.247 461 V C 2.447 178.469 176.094 -0.120 0.000 1.051 461 V CA 2.316 64.665 62.300 0.082 0.000 1.018 461 V CB -0.593 31.233 31.823 0.006 0.000 0.641 461 V HN 0.372 nan 8.190 nan 0.000 0.445 462 V N 0.336 120.067 119.914 -0.305 0.000 2.233 462 V HA -0.170 3.953 4.120 0.005 0.000 0.247 462 V C 0.189 176.026 176.094 -0.428 0.000 1.050 462 V CA 2.756 64.666 62.300 -0.648 0.000 1.010 462 V CB -1.864 29.536 31.823 -0.704 0.000 0.637 462 V HN 0.513 nan 8.190 nan 0.000 0.444 463 P HA -0.172 nan 4.420 nan 0.000 0.217 463 P C 1.870 179.132 177.300 -0.064 0.000 1.148 463 P CA 1.720 64.766 63.100 -0.090 0.000 0.828 463 P CB -0.110 31.572 31.700 -0.031 0.000 0.783 464 M N -1.197 118.375 119.600 -0.045 0.000 2.099 464 M HA -0.096 4.387 4.480 0.005 0.000 0.262 464 M C 2.229 178.540 176.300 0.018 0.000 1.067 464 M CA 1.983 57.280 55.300 -0.005 0.000 1.124 464 M CB -0.946 31.673 32.600 0.033 0.000 1.353 464 M HN -0.106 nan 8.290 nan 0.000 0.410 465 A N 0.408 123.229 122.820 0.001 0.000 1.902 465 A HA -0.172 4.152 4.320 0.005 0.000 0.217 465 A C 2.300 179.901 177.584 0.028 0.000 1.181 465 A CA 2.312 54.347 52.037 -0.003 0.000 0.623 465 A CB -0.865 18.025 19.000 -0.184 0.000 0.818 465 A HN 0.590 nan 8.150 nan 0.000 0.443 466 S N -1.644 114.020 115.700 -0.060 0.000 2.458 466 S HA -0.002 4.472 4.470 0.005 0.000 0.223 466 S C 1.659 176.326 174.600 0.112 0.000 1.019 466 S CA 0.928 59.203 58.200 0.125 0.000 0.937 466 S CB -0.103 63.179 63.200 0.136 0.000 0.788 466 S HN 0.660 nan 8.310 nan 0.000 0.511 467 Q N 0.055 119.888 119.800 0.054 0.000 2.245 467 Q HA 0.341 4.685 4.340 0.005 0.000 0.236 467 Q C 0.985 177.009 176.000 0.041 0.000 0.842 467 Q CA 0.250 56.085 55.803 0.053 0.000 0.945 467 Q CB 0.868 29.633 28.738 0.044 0.000 1.122 467 Q HN 0.704 nan 8.270 nan 0.000 0.506 468 G N 2.405 111.223 108.800 0.029 0.000 2.160 468 G HA2 -0.307 3.657 3.960 0.005 0.000 0.251 468 G HA3 -0.307 3.657 3.960 0.005 0.000 0.251 468 G C -0.289 174.610 174.900 -0.001 0.000 1.008 468 G CA 0.918 46.027 45.100 0.015 0.000 0.724 468 G HN 0.317 nan 8.290 nan 0.000 0.514 469 K N -0.234 120.164 120.400 -0.004 0.000 2.557 469 K HA 0.567 4.890 4.320 0.005 0.000 0.261 469 K C -0.016 176.577 176.600 -0.012 0.000 0.932 469 K CA -0.750 55.531 56.287 -0.010 0.000 0.829 469 K CB 1.356 33.863 32.500 0.012 0.000 1.358 469 K HN 0.412 nan 8.250 nan 0.000 0.430 470 E N 2.741 122.927 120.200 -0.024 0.000 2.508 470 E HA 0.042 4.395 4.350 0.005 0.000 0.266 470 E C -1.752 174.858 176.600 0.018 0.000 1.010 470 E CA -1.160 55.234 56.400 -0.010 0.000 0.955 470 E CB -0.122 29.569 29.700 -0.015 0.000 0.946 470 E HN 0.346 nan 8.360 nan 0.000 0.454 471 P HA 0.044 nan 4.420 nan 0.000 0.275 471 P C -0.692 176.642 177.300 0.056 0.000 1.227 471 P CA -0.309 62.816 63.100 0.041 0.000 0.781 471 P CB 1.091 32.802 31.700 0.020 0.000 0.906 472 T N 3.147 117.751 114.554 0.083 0.000 2.909 472 T HA 0.475 4.828 4.350 0.005 0.000 0.286 472 T C -0.405 174.312 174.700 0.029 0.000 1.002 472 T CA 0.380 62.518 62.100 0.063 0.000 1.074 472 T CB 0.211 69.139 68.868 0.100 0.000 0.984 472 T HN 0.307 nan 8.240 nan 0.000 0.495 473 F N 0.925 120.661 119.950 -0.357 0.000 3.305 473 F HA 0.723 5.253 4.527 0.005 0.000 0.330 473 F C -0.985 174.498 175.800 -0.529 0.000 1.233 473 F CA -1.208 56.436 58.000 -0.593 0.000 0.962 473 F CB 0.879 39.740 39.000 -0.232 0.000 1.540 473 F HN 0.833 nan 8.300 nan 0.000 0.524 474 C N 1.056 119.887 119.300 -0.782 0.000 3.292 474 C HA 0.736 5.199 4.460 0.005 0.000 0.338 474 C C -0.933 173.815 174.990 -0.403 0.000 1.323 474 C CA -1.378 57.330 59.018 -0.517 0.000 1.232 474 C CB 0.768 28.261 27.740 -0.412 0.000 1.517 474 C HN 1.114 nan 8.230 nan 0.000 0.470 475 M N 0.499 119.988 119.600 -0.185 0.000 7.319 475 M HA 0.034 4.518 4.480 0.005 0.000 0.157 475 M C 0.425 176.719 176.300 -0.009 0.000 0.480 475 M CA 1.649 56.902 55.300 -0.078 0.000 1.311 475 M CB -1.846 30.709 32.600 -0.074 0.000 0.421 475 M HN 1.798 nan 8.290 nan 0.000 0.190 476 G N 0.111 108.924 108.800 0.021 0.000 2.535 476 G HA2 0.442 4.405 3.960 0.005 0.000 0.303 476 G HA3 0.442 4.405 3.960 0.005 0.000 0.303 476 G C -0.727 174.205 174.900 0.053 0.000 1.237 476 G CA -0.127 44.986 45.100 0.021 0.000 0.986 476 G HN 0.775 nan 8.290 nan 0.000 0.494 477 D N -0.829 119.571 120.400 -0.000 0.000 2.344 477 D HA 0.147 4.790 4.640 0.005 0.000 0.253 477 D C 0.171 176.467 176.300 -0.006 0.000 1.255 477 D CA -0.234 53.771 54.000 0.008 0.000 0.894 477 D CB 1.212 42.003 40.800 -0.015 0.000 1.067 477 D HN 0.220 nan 8.370 nan 0.000 0.492 478 D N 1.630 122.069 120.400 0.065 0.000 2.367 478 D HA 0.014 4.657 4.640 0.005 0.000 0.207 478 D C 0.351 176.653 176.300 0.004 0.000 1.034 478 D CA 0.375 54.429 54.000 0.089 0.000 0.861 478 D CB 0.475 41.448 40.800 0.288 0.000 0.943 478 D HN 0.497 nan 8.370 nan 0.000 0.515 479 T N -2.397 112.122 114.554 -0.059 0.000 2.936 479 T HA 0.629 4.983 4.350 0.005 0.000 0.282 479 T C -2.666 172.036 174.700 0.004 0.000 1.003 479 T CA -1.985 60.057 62.100 -0.098 0.000 1.005 479 T CB 1.514 70.299 68.868 -0.139 0.000 1.097 479 T HN -0.283 nan 8.240 nan 0.000 0.532 480 P HA 0.184 nan 4.420 nan 0.000 0.268 480 P C 0.014 177.279 177.300 -0.059 0.000 1.205 480 P CA -0.430 62.657 63.100 -0.022 0.000 0.771 480 P CB 0.213 31.871 31.700 -0.070 0.000 0.858 481 L N 1.810 122.997 121.223 -0.060 0.000 2.573 481 L HA -0.150 4.193 4.340 0.005 0.000 0.290 481 L C 1.850 178.603 176.870 -0.196 0.000 1.247 481 L CA 0.076 54.842 54.840 -0.123 0.000 0.876 481 L CB 0.012 41.997 42.059 -0.123 0.000 1.123 481 L HN 0.533 nan 8.230 nan 0.000 0.505 482 A N 3.841 126.471 122.820 -0.316 0.000 1.927 482 A HA -0.195 4.128 4.320 0.005 0.000 0.220 482 A C 2.058 179.426 177.584 -0.361 0.000 1.185 482 A CA 2.216 53.969 52.037 -0.473 0.000 0.639 482 A CB -0.593 17.841 19.000 -0.944 0.000 0.820 482 A HN 0.649 nan 8.150 nan 0.000 0.451 483 V N -0.496 119.264 119.914 -0.256 0.000 2.970 483 V HA -0.045 4.079 4.120 0.005 0.000 0.260 483 V C 1.881 177.964 176.094 -0.018 0.000 1.100 483 V CA 1.675 63.998 62.300 0.037 0.000 1.122 483 V CB -0.297 31.613 31.823 0.145 0.000 0.721 483 V HN 0.561 nan 8.190 nan 0.000 0.483 484 L N -0.793 120.374 121.223 -0.094 0.000 2.554 484 L HA 0.226 4.569 4.340 0.005 0.000 0.225 484 L C 1.369 178.103 176.870 -0.227 0.000 1.104 484 L CA 0.117 54.884 54.840 -0.122 0.000 0.866 484 L CB -0.000 41.989 42.059 -0.115 0.000 1.047 484 L HN 0.164 nan 8.230 nan 0.000 0.468 485 S N -0.744 114.841 115.700 -0.193 0.000 2.579 485 S HA 0.039 4.512 4.470 0.005 0.000 0.275 485 S C 0.871 175.337 174.600 -0.222 0.000 1.345 485 S CA -0.187 57.877 58.200 -0.228 0.000 1.031 485 S CB 0.388 63.521 63.200 -0.111 0.000 0.892 485 S HN 0.344 nan 8.310 nan 0.000 0.529 486 H N 1.008 120.071 119.070 -0.013 0.000 2.551 486 H HA 0.278 4.837 4.556 0.005 0.000 0.271 486 H C -0.043 175.249 175.328 -0.060 0.000 0.984 486 H CA -0.215 55.818 56.048 -0.026 0.000 1.164 486 H CB 0.410 30.162 29.762 -0.017 0.000 1.437 486 H HN 0.152 nan 8.280 nan 0.000 0.550 487 K N 2.504 122.896 120.400 -0.014 0.000 2.130 487 K HA 0.220 4.543 4.320 0.005 0.000 0.268 487 K C -2.615 173.882 176.600 -0.172 0.000 0.983 487 K CA -2.394 53.786 56.287 -0.178 0.000 0.893 487 K CB 1.024 33.413 32.500 -0.184 0.000 1.066 487 K HN 0.052 nan 8.250 nan 0.000 0.450 488 P HA 0.114 nan 4.420 nan 0.000 0.268 488 P C -0.456 176.850 177.300 0.010 0.000 1.204 488 P CA 0.016 62.951 63.100 -0.275 0.000 0.768 488 P CB 0.750 32.000 31.700 -0.750 0.000 0.842 489 R N 2.054 122.659 120.500 0.175 0.000 2.808 489 R HA 0.550 4.894 4.340 0.005 0.000 0.272 489 R C -0.121 176.429 176.300 0.417 0.000 0.995 489 R CA -1.172 55.086 56.100 0.264 0.000 0.917 489 R CB 1.074 31.388 30.300 0.023 0.000 1.217 489 R HN 0.407 nan 8.270 nan 0.000 0.471 490 L N 1.371 122.810 121.223 0.360 0.000 2.399 490 L HA 0.215 4.558 4.340 0.005 0.000 0.266 490 L C 1.831 178.877 176.870 0.294 0.000 1.114 490 L CA -0.683 54.320 54.840 0.273 0.000 0.804 490 L CB 0.277 42.426 42.059 0.150 0.000 1.146 490 L HN 0.378 nan 8.230 nan 0.000 0.451 491 L N 1.633 122.934 121.223 0.130 0.000 2.089 491 L HA -0.269 4.074 4.340 0.005 0.000 0.213 491 L C 2.195 179.231 176.870 0.276 0.000 1.079 491 L CA 1.951 56.876 54.840 0.141 0.000 0.758 491 L CB -0.796 41.205 42.059 -0.098 0.000 0.891 491 L HN 0.512 nan 8.230 nan 0.000 0.433 492 Y N -0.447 119.908 120.300 0.093 0.000 2.139 492 Y HA -0.317 4.237 4.550 0.006 0.000 0.282 492 Y C 2.293 178.386 175.900 0.322 0.000 1.179 492 Y CA 1.146 59.279 58.100 0.056 0.000 1.161 492 Y CB -0.408 38.005 38.460 -0.078 0.000 0.970 492 Y HN 0.272 nan 8.280 nan 0.000 0.511 493 D N -1.132 119.516 120.400 0.413 0.000 2.350 493 D HA -0.138 4.505 4.640 0.005 0.000 0.216 493 D C 1.181 177.512 176.300 0.052 0.000 0.968 493 D CA 1.027 55.151 54.000 0.207 0.000 0.894 493 D CB -0.305 40.495 40.800 -0.001 0.000 0.909 493 D HN 0.456 nan 8.370 nan 0.000 0.520 494 Y N -0.812 119.609 120.300 0.201 0.000 2.546 494 Y HA 0.083 4.636 4.550 0.005 0.000 0.287 494 Y C 0.357 176.203 175.900 -0.091 0.000 1.158 494 Y CA 0.131 58.235 58.100 0.007 0.000 1.307 494 Y CB -0.063 38.332 38.460 -0.109 0.000 1.036 494 Y HN -0.194 nan 8.280 nan 0.000 0.532 495 F N 0.736 120.792 119.950 0.176 0.000 2.427 495 F HA 0.446 4.977 4.527 0.007 0.000 0.346 495 F C -0.000 176.042 175.800 0.403 0.000 1.120 495 F CA -1.354 56.773 58.000 0.211 0.000 1.033 495 F CB 1.042 40.050 39.000 0.013 0.000 1.126 495 F HN -0.395 nan 8.300 nan 0.000 0.462 496 K N 3.157 123.875 120.400 0.531 0.000 2.244 496 K HA 0.345 4.668 4.320 0.005 0.000 0.260 496 K C -0.441 176.507 176.600 0.579 0.000 0.951 496 K CA -0.775 55.792 56.287 0.468 0.000 0.826 496 K CB 1.693 34.339 32.500 0.244 0.000 1.108 496 K HN 0.677 nan 8.250 nan 0.000 0.433 497 Q N 2.191 122.305 119.800 0.523 0.000 2.364 497 Q HA 0.117 4.460 4.340 0.005 0.000 0.267 497 Q C 0.134 176.258 176.000 0.208 0.000 0.999 497 Q CA 0.338 56.275 55.803 0.224 0.000 0.886 497 Q CB 0.809 29.700 28.738 0.255 0.000 1.243 497 Q HN 0.203 nan 8.270 nan 0.000 0.415 498 R N 1.572 122.077 120.500 0.009 0.000 2.607 498 R HA 0.671 5.015 4.340 0.005 0.000 0.261 498 R C -0.551 175.785 176.300 0.059 0.000 1.051 498 R CA -0.497 55.570 56.100 -0.055 0.000 1.110 498 R CB 0.751 30.952 30.300 -0.165 0.000 1.158 498 R HN 0.588 nan 8.270 nan 0.000 0.543 499 F N -2.844 117.117 119.950 0.018 0.000 2.719 499 F HA 0.597 5.127 4.527 0.005 0.000 0.309 499 F C -1.376 174.445 175.800 0.035 0.000 1.138 499 F CA -1.585 56.434 58.000 0.031 0.000 0.943 499 F CB 0.848 39.875 39.000 0.044 0.000 1.304 499 F HN 0.556 nan 8.300 nan 0.000 0.445 500 A N 2.168 125.114 122.820 0.212 0.000 2.409 500 A HA 0.627 4.951 4.320 0.005 0.000 0.262 500 A C -0.671 177.046 177.584 0.222 0.000 1.113 500 A CA -0.217 51.900 52.037 0.132 0.000 0.790 500 A CB 0.259 19.328 19.000 0.116 0.000 1.046 500 A HN 0.893 nan 8.150 nan 0.000 0.496 501 Q N 1.847 121.725 119.800 0.130 0.000 2.281 501 Q HA 0.566 4.909 4.340 0.005 0.000 0.263 501 Q C -0.250 175.795 176.000 0.075 0.000 0.989 501 Q CA -0.541 55.355 55.803 0.156 0.000 0.852 501 Q CB 1.354 30.244 28.738 0.254 0.000 1.337 501 Q HN 0.974 nan 8.270 nan 0.000 0.418 502 V N 0.492 120.442 119.914 0.059 0.000 0.582 502 V HA -0.460 3.664 4.120 0.005 0.000 0.092 502 V C 1.884 177.977 176.094 -0.002 0.000 1.874 502 V CA 2.934 65.241 62.300 0.011 0.000 3.418 502 V CB -2.362 29.454 31.823 -0.010 0.000 0.707 502 V HN 1.037 nan 8.190 nan 0.000 0.732 503 T N -0.158 114.391 114.554 -0.008 0.000 2.995 503 T HA 0.102 4.455 4.350 0.005 0.000 0.269 503 T C 0.512 175.217 174.700 0.008 0.000 1.091 503 T CA 1.365 63.449 62.100 -0.027 0.000 1.128 503 T CB -0.296 68.556 68.868 -0.026 0.000 0.891 503 T HN 1.154 nan 8.240 nan 0.000 0.492 504 N N 0.739 119.460 118.700 0.036 0.000 2.591 504 N HA 0.374 5.117 4.740 0.005 0.000 0.263 504 N C -3.810 171.747 175.510 0.079 0.000 1.308 504 N CA -1.818 51.267 53.050 0.059 0.000 0.837 504 N CB 2.294 40.811 38.487 0.050 0.000 1.548 504 N HN -0.029 nan 8.380 nan 0.000 0.493 505 P HA 0.473 nan 4.420 nan 0.000 0.287 505 P C -2.801 174.538 177.300 0.065 0.000 1.270 505 P CA -1.417 61.743 63.100 0.101 0.000 0.844 505 P CB 1.099 32.884 31.700 0.142 0.000 1.068 506 P HA 0.210 nan 4.420 nan 0.000 0.273 506 P C -0.155 177.160 177.300 0.025 0.000 1.250 506 P CA 0.066 63.203 63.100 0.061 0.000 0.793 506 P CB 0.494 32.233 31.700 0.066 0.000 1.011 507 I N -3.455 117.129 120.570 0.024 0.000 3.067 507 I HA 0.559 4.732 4.170 0.005 0.000 0.312 507 I C -0.490 175.646 176.117 0.031 0.000 1.073 507 I CA -1.127 60.181 61.300 0.014 0.000 1.016 507 I CB 2.052 40.051 38.000 -0.002 0.000 1.227 507 I HN 0.023 nan 8.210 nan 0.000 0.456 508 D N 4.319 124.746 120.400 0.045 0.000 2.396 508 D HA 0.294 4.937 4.640 0.005 0.000 0.225 508 D C -1.729 174.580 176.300 0.015 0.000 1.121 508 D CA -2.266 51.775 54.000 0.068 0.000 0.853 508 D CB 1.564 42.462 40.800 0.163 0.000 1.043 508 D HN 0.350 nan 8.370 nan 0.000 0.500 509 P HA -0.049 nan 4.420 nan 0.000 0.230 509 P C 1.157 178.394 177.300 -0.105 0.000 1.158 509 P CA 0.544 63.617 63.100 -0.045 0.000 0.769 509 P CB 0.745 32.465 31.700 0.033 0.000 0.807 510 L N -1.677 119.522 121.223 -0.041 0.000 2.541 510 L HA 0.237 4.580 4.340 0.005 0.000 0.187 510 L C 2.628 179.465 176.870 -0.055 0.000 1.098 510 L CA 0.149 54.962 54.840 -0.044 0.000 0.846 510 L CB -0.437 41.632 42.059 0.015 0.000 1.151 510 L HN -0.275 nan 8.230 nan 0.000 0.492 511 R N 0.916 121.405 120.500 -0.018 0.000 2.115 511 R HA -0.074 4.270 4.340 0.005 0.000 0.230 511 R C 0.928 177.180 176.300 -0.081 0.000 1.111 511 R CA 1.072 57.124 56.100 -0.080 0.000 0.976 511 R CB -0.076 30.132 30.300 -0.154 0.000 0.870 511 R HN 0.372 nan 8.270 nan 0.000 0.445 512 E N -0.976 119.184 120.200 -0.066 0.000 2.651 512 E HA 0.092 4.445 4.350 0.005 0.000 0.208 512 E C 0.302 176.837 176.600 -0.108 0.000 0.997 512 E CA -0.226 56.137 56.400 -0.061 0.000 1.020 512 E CB 0.346 30.006 29.700 -0.067 0.000 1.052 512 E HN 0.184 nan 8.360 nan 0.000 0.465 513 N N 1.438 120.029 118.700 -0.182 0.000 2.133 513 N HA -0.199 4.545 4.740 0.005 0.000 0.193 513 N C 1.646 176.993 175.510 -0.272 0.000 1.012 513 N CA 1.391 54.237 53.050 -0.339 0.000 0.871 513 N CB -0.011 38.231 38.487 -0.408 0.000 1.011 513 N HN 0.184 nan 8.380 nan 0.000 0.435 514 L N -1.467 119.659 121.223 -0.161 0.000 2.447 514 L HA 0.016 4.359 4.340 0.005 0.000 0.225 514 L C 1.618 178.428 176.870 -0.100 0.000 1.148 514 L CA 0.984 55.750 54.840 -0.124 0.000 0.808 514 L CB -1.439 40.568 42.059 -0.086 0.000 0.928 514 L HN 0.038 nan 8.230 nan 0.000 0.448 515 V N -0.859 119.005 119.914 -0.083 0.000 3.660 515 V HA 0.244 4.367 4.120 0.005 0.000 0.276 515 V C 1.110 177.189 176.094 -0.025 0.000 1.317 515 V CA 0.280 62.556 62.300 -0.040 0.000 1.097 515 V CB 0.066 31.887 31.823 -0.004 0.000 0.863 515 V HN 0.330 nan 8.190 nan 0.000 0.438 516 M N -0.430 119.133 119.600 -0.063 0.000 2.537 516 M HA 0.469 4.952 4.480 0.005 0.000 0.324 516 M C -0.306 176.076 176.300 0.138 0.000 1.187 516 M CA 0.064 55.384 55.300 0.034 0.000 0.993 516 M CB 1.989 34.566 32.600 -0.038 0.000 1.666 516 M HN 0.060 nan 8.290 nan 0.000 0.461 517 S N 0.984 116.842 115.700 0.264 0.000 2.548 517 S HA 0.478 4.952 4.470 0.005 0.000 0.276 517 S C -0.443 174.268 174.600 0.184 0.000 1.129 517 S CA -0.575 57.772 58.200 0.245 0.000 0.931 517 S CB 1.208 64.486 63.200 0.130 0.000 1.068 517 S HN 0.621 nan 8.310 nan 0.000 0.480 518 L N 3.282 124.544 121.223 0.065 0.000 2.611 518 L HA 0.471 4.814 4.340 0.005 0.000 0.229 518 L C 1.343 178.159 176.870 -0.091 0.000 1.137 518 L CA 0.356 55.118 54.840 -0.130 0.000 0.901 518 L CB -1.011 40.833 42.059 -0.359 0.000 1.098 518 L HN 0.787 nan 8.230 nan 0.000 0.456 519 A N 0.268 123.062 122.820 -0.043 0.000 2.540 519 A HA 0.403 4.726 4.320 0.005 0.000 0.239 519 A C 0.371 177.863 177.584 -0.154 0.000 1.061 519 A CA 0.437 52.403 52.037 -0.119 0.000 0.758 519 A CB 0.072 19.021 19.000 -0.085 0.000 0.991 519 A HN 0.167 nan 8.150 nan 0.000 0.502 520 M N 1.127 120.539 119.600 -0.313 0.000 2.658 520 M HA 0.566 5.049 4.480 0.005 0.000 0.295 520 M C -1.517 174.469 176.300 -0.524 0.000 1.248 520 M CA -0.354 54.789 55.300 -0.262 0.000 0.843 520 M CB 1.686 34.172 32.600 -0.190 0.000 1.749 520 M HN 0.543 nan 8.290 nan 0.000 0.464 521 F N 1.720 121.608 119.950 -0.103 0.000 2.493 521 F HA 0.577 5.110 4.527 0.010 0.000 0.329 521 F C -0.369 175.382 175.800 -0.082 0.000 1.126 521 F CA -0.543 57.404 58.000 -0.089 0.000 0.937 521 F CB 1.289 40.227 39.000 -0.104 0.000 1.146 521 F HN 0.272 nan 8.300 nan 0.000 0.442 522 L N 3.609 124.870 121.223 0.063 0.000 2.275 522 L HA 0.841 5.184 4.340 0.005 0.000 0.288 522 L C 0.561 177.462 176.870 0.051 0.000 1.046 522 L CA -0.160 54.703 54.840 0.038 0.000 0.805 522 L CB 0.938 43.000 42.059 0.005 0.000 1.193 522 L HN 0.914 nan 8.230 nan 0.000 0.426 523 G N 2.805 111.632 108.800 0.046 0.000 2.265 523 G HA2 -0.125 3.838 3.960 0.005 0.000 0.246 523 G HA3 -0.125 3.838 3.960 0.005 0.000 0.246 523 G C -1.105 173.808 174.900 0.021 0.000 1.299 523 G CA -0.834 44.285 45.100 0.032 0.000 1.117 523 G HN 0.478 nan 8.290 nan 0.000 0.485 524 K N 1.386 121.788 120.400 0.002 0.000 2.363 524 K HA 0.219 4.542 4.320 0.005 0.000 0.289 524 K C 0.545 177.119 176.600 -0.044 0.000 1.063 524 K CA -0.283 55.998 56.287 -0.010 0.000 0.967 524 K CB 0.138 32.627 32.500 -0.019 0.000 0.987 524 K HN 0.423 nan 8.250 nan 0.000 0.473 525 R N 2.565 123.038 120.500 -0.045 0.000 2.404 525 R HA 0.009 4.352 4.340 0.005 0.000 0.315 525 R C 0.454 176.699 176.300 -0.091 0.000 1.032 525 R CA 0.059 56.102 56.100 -0.095 0.000 0.992 525 R CB 0.589 30.834 30.300 -0.091 0.000 0.959 525 R HN 0.718 nan 8.270 nan 0.000 0.428 526 G N 2.038 110.754 108.800 -0.140 0.000 2.562 526 G HA2 -0.076 3.887 3.960 0.005 0.000 0.275 526 G HA3 -0.076 3.887 3.960 0.005 0.000 0.275 526 G C -0.004 174.841 174.900 -0.091 0.000 1.196 526 G CA -0.590 44.437 45.100 -0.123 0.000 0.908 526 G HN 0.559 nan 8.290 nan 0.000 0.524 527 N N 0.050 118.709 118.700 -0.067 0.000 2.347 527 N HA -0.080 4.664 4.740 0.005 0.000 0.278 527 N C 1.407 176.908 175.510 -0.015 0.000 1.367 527 N CA -0.236 52.791 53.050 -0.039 0.000 0.898 527 N CB 0.625 39.088 38.487 -0.040 0.000 1.203 527 N HN 0.361 nan 8.380 nan 0.000 0.491 528 L N 5.129 126.353 121.223 0.001 0.000 2.083 528 L HA -0.050 4.294 4.340 0.005 0.000 0.209 528 L C 1.691 178.600 176.870 0.066 0.000 1.083 528 L CA 1.631 56.499 54.840 0.047 0.000 0.752 528 L CB -0.049 42.028 42.059 0.031 0.000 0.899 528 L HN 0.681 nan 8.230 nan 0.000 0.433 529 L N -1.524 119.706 121.223 0.011 0.000 2.509 529 L HA 0.148 4.492 4.340 0.005 0.000 0.222 529 L C 0.489 177.369 176.870 0.017 0.000 1.123 529 L CA 0.164 54.996 54.840 -0.013 0.000 0.856 529 L CB -0.192 41.814 42.059 -0.088 0.000 0.985 529 L HN 0.166 nan 8.230 nan 0.000 0.456 530 E N 1.019 121.235 120.200 0.026 0.000 2.409 530 E HA 0.293 4.646 4.350 0.005 0.000 0.259 530 E C -2.520 174.070 176.600 -0.016 0.000 0.932 530 E CA -1.766 54.645 56.400 0.019 0.000 0.809 530 E CB 2.404 32.107 29.700 0.005 0.000 1.341 530 E HN -0.116 nan 8.360 nan 0.000 0.405 531 P HA 0.188 nan 4.420 nan 0.000 0.276 531 P C -0.942 176.192 177.300 -0.278 0.000 1.235 531 P CA -0.024 62.985 63.100 -0.151 0.000 0.772 531 P CB 0.809 32.228 31.700 -0.470 0.000 0.871 532 K N 1.219 121.368 120.400 -0.419 0.000 2.527 532 K HA 0.538 4.861 4.320 0.005 0.000 0.260 532 K C 0.746 176.602 176.600 -1.239 0.000 0.937 532 K CA -0.778 55.062 56.287 -0.745 0.000 0.826 532 K CB 2.271 34.550 32.500 -0.369 0.000 1.359 532 K HN 0.215 nan 8.250 nan 0.000 0.434 533 A N 1.842 123.630 122.820 -1.720 0.000 1.940 533 A HA -0.203 4.120 4.320 0.005 0.000 0.219 533 A C 1.581 178.833 177.584 -0.553 0.000 1.176 533 A CA 1.864 53.011 52.037 -1.482 0.000 0.631 533 A CB -0.439 17.833 19.000 -1.214 0.000 0.814 533 A HN 0.901 nan 8.150 nan 0.000 0.446 534 E N 0.076 120.030 120.200 -0.410 0.000 2.070 534 E HA -0.168 4.185 4.350 0.005 0.000 0.197 534 E C 2.193 178.691 176.600 -0.170 0.000 1.004 534 E CA 1.620 57.887 56.400 -0.223 0.000 0.805 534 E CB -0.237 29.355 29.700 -0.180 0.000 0.744 534 E HN 0.600 nan 8.360 nan 0.000 0.451 535 S N 0.312 115.903 115.700 -0.181 0.000 2.440 535 S HA -0.163 4.311 4.470 0.005 0.000 0.238 535 S C 1.818 176.290 174.600 -0.213 0.000 1.010 535 S CA 0.909 59.001 58.200 -0.179 0.000 0.972 535 S CB -0.080 63.012 63.200 -0.180 0.000 0.774 535 S HN 0.388 nan 8.310 nan 0.000 0.501 536 A N 0.751 123.511 122.820 -0.101 0.000 2.275 536 A HA 0.192 4.515 4.320 0.005 0.000 0.212 536 A C 1.113 178.692 177.584 -0.008 0.000 1.201 536 A CA -0.177 51.838 52.037 -0.038 0.000 0.843 536 A CB -0.086 19.047 19.000 0.222 0.000 0.873 536 A HN 0.284 nan 8.150 nan 0.000 0.492 537 R N 1.107 121.585 120.500 -0.037 0.000 2.272 537 R HA 0.331 4.674 4.340 0.005 0.000 0.334 537 R C -0.662 175.635 176.300 -0.004 0.000 1.117 537 R CA 0.612 56.703 56.100 -0.014 0.000 0.966 537 R CB -0.117 30.164 30.300 -0.032 0.000 1.049 537 R HN 0.292 nan 8.270 nan 0.000 0.477 538 T N 3.098 117.670 114.554 0.031 0.000 2.802 538 T HA 0.383 4.736 4.350 0.005 0.000 0.311 538 T C -1.058 173.682 174.700 0.068 0.000 1.405 538 T CA -0.657 61.478 62.100 0.059 0.000 1.016 538 T CB 1.033 69.966 68.868 0.107 0.000 1.352 538 T HN 0.389 nan 8.240 nan 0.000 0.498 539 I N 3.274 123.876 120.570 0.053 0.000 2.330 539 I HA 0.415 4.588 4.170 0.005 0.000 0.289 539 I C 0.092 176.178 176.117 -0.052 0.000 1.001 539 I CA -0.779 60.524 61.300 0.005 0.000 1.193 539 I CB 1.443 39.435 38.000 -0.012 0.000 1.345 539 I HN 0.472 nan 8.210 nan 0.000 0.461 540 K N 6.868 127.197 120.400 -0.118 0.000 2.248 540 K HA 0.422 4.745 4.320 0.005 0.000 0.281 540 K C -1.252 175.182 176.600 -0.278 0.000 1.054 540 K CA -0.656 55.410 56.287 -0.369 0.000 0.903 540 K CB 0.879 33.159 32.500 -0.366 0.000 1.077 540 K HN 0.348 nan 8.250 nan 0.000 0.474 541 L N 5.523 126.552 121.223 -0.322 0.000 2.289 541 L HA 0.322 4.665 4.340 0.005 0.000 0.285 541 L C 1.286 178.020 176.870 -0.226 0.000 1.049 541 L CA -0.151 54.557 54.840 -0.219 0.000 0.804 541 L CB 1.405 43.357 42.059 -0.178 0.000 1.195 541 L HN 0.708 nan 8.230 nan 0.000 0.428 542 R N 1.251 121.656 120.500 -0.159 0.000 2.285 542 R HA 0.085 4.429 4.340 0.005 0.000 0.213 542 R C 0.442 176.669 176.300 -0.121 0.000 1.068 542 R CA 0.624 56.647 56.100 -0.128 0.000 1.004 542 R CB 0.036 30.285 30.300 -0.085 0.000 0.873 542 R HN 0.464 nan 8.270 nan 0.000 0.467 543 S N -0.604 115.017 115.700 -0.132 0.000 2.537 543 S HA 0.331 4.805 4.470 0.005 0.000 0.271 543 S C -2.388 172.140 174.600 -0.121 0.000 1.148 543 S CA -1.566 56.550 58.200 -0.140 0.000 0.868 543 S CB 2.166 65.286 63.200 -0.134 0.000 1.115 543 S HN -0.038 nan 8.310 nan 0.000 0.461 544 P HA 0.085 nan 4.420 nan 0.000 0.225 544 P C 0.558 177.867 177.300 0.015 0.000 1.156 544 P CA 0.267 63.335 63.100 -0.054 0.000 0.787 544 P CB 0.024 31.703 31.700 -0.034 0.000 0.802 545 L N 2.205 123.413 121.223 -0.024 0.000 2.325 545 L HA 0.196 4.539 4.340 0.005 0.000 0.284 545 L C -0.124 176.780 176.870 0.057 0.000 1.089 545 L CA -0.735 54.147 54.840 0.069 0.000 0.836 545 L CB 0.682 42.713 42.059 -0.046 0.000 1.184 545 L HN -0.234 nan 8.230 nan 0.000 0.444 546 V N 2.605 122.575 119.914 0.093 0.000 2.370 546 V HA 0.469 4.592 4.120 0.005 0.000 0.279 546 V C 0.002 176.140 176.094 0.072 0.000 1.029 546 V CA -0.909 61.415 62.300 0.041 0.000 0.870 546 V CB 1.084 32.916 31.823 0.015 0.000 0.984 546 V HN 0.877 nan 8.190 nan 0.000 0.451 547 N N 3.806 122.508 118.700 0.003 0.000 2.322 547 N HA 0.201 4.944 4.740 0.005 0.000 0.270 547 N C 0.727 176.247 175.510 0.018 0.000 1.286 547 N CA -0.230 52.841 53.050 0.036 0.000 0.948 547 N CB 0.234 38.625 38.487 -0.160 0.000 1.164 547 N HN 0.629 nan 8.380 nan 0.000 0.551 548 E N -0.643 119.583 120.200 0.044 0.000 2.106 548 E HA -0.065 4.289 4.350 0.005 0.000 0.192 548 E C 1.790 178.381 176.600 -0.015 0.000 0.984 548 E CA 0.772 57.186 56.400 0.024 0.000 0.806 548 E CB -0.411 29.308 29.700 0.032 0.000 0.750 548 E HN 0.404 nan 8.360 nan 0.000 0.458 549 V N 1.947 121.834 119.914 -0.044 0.000 2.343 549 V HA -0.243 3.880 4.120 0.005 0.000 0.247 549 V C 2.149 178.204 176.094 -0.065 0.000 1.051 549 V CA 1.864 64.128 62.300 -0.061 0.000 1.036 549 V CB -0.462 31.306 31.823 -0.092 0.000 0.654 549 V HN 0.250 nan 8.190 nan 0.000 0.451 550 E N -0.294 119.855 120.200 -0.085 0.000 2.106 550 E HA -0.228 4.125 4.350 0.005 0.000 0.192 550 E C 2.109 178.683 176.600 -0.043 0.000 0.984 550 E CA 1.217 57.572 56.400 -0.075 0.000 0.806 550 E CB -0.188 29.456 29.700 -0.094 0.000 0.750 550 E HN 0.429 nan 8.360 nan 0.000 0.458 551 L N 1.228 122.435 121.223 -0.025 0.000 2.027 551 L HA -0.202 4.141 4.340 0.005 0.000 0.206 551 L C 2.441 179.303 176.870 -0.014 0.000 1.074 551 L CA 1.751 56.586 54.840 -0.009 0.000 0.745 551 L CB -0.387 41.676 42.059 0.007 0.000 0.898 551 L HN -0.018 nan 8.230 nan 0.000 0.433 552 Q N -0.075 119.714 119.800 -0.018 0.000 2.112 552 Q HA -0.198 4.145 4.340 0.005 0.000 0.206 552 Q C 2.126 178.114 176.000 -0.019 0.000 0.987 552 Q CA 2.326 58.118 55.803 -0.018 0.000 0.858 552 Q CB -0.529 28.197 28.738 -0.020 0.000 0.905 552 Q HN 0.620 nan 8.270 nan 0.000 0.420 553 A N -0.253 122.551 122.820 -0.025 0.000 1.930 553 A HA -0.114 4.210 4.320 0.005 0.000 0.217 553 A C 2.156 179.728 177.584 -0.021 0.000 1.175 553 A CA 1.279 53.301 52.037 -0.025 0.000 0.627 553 A CB -0.669 18.310 19.000 -0.034 0.000 0.815 553 A HN 0.465 nan 8.150 nan 0.000 0.443 554 I N -0.477 120.081 120.570 -0.021 0.000 2.127 554 I HA -0.317 3.856 4.170 0.005 0.000 0.241 554 I C 2.521 178.633 176.117 -0.008 0.000 1.075 554 I CA 1.865 63.156 61.300 -0.015 0.000 1.334 554 I CB -0.177 37.815 38.000 -0.013 0.000 1.040 554 I HN 0.271 nan 8.210 nan 0.000 0.405 555 K N -0.321 120.075 120.400 -0.006 0.000 2.097 555 K HA -0.147 4.177 4.320 0.005 0.000 0.206 555 K C 1.999 178.597 176.600 -0.004 0.000 1.049 555 K CA 1.702 57.987 56.287 -0.003 0.000 0.933 555 K CB -0.244 32.254 32.500 -0.004 0.000 0.717 555 K HN 0.235 nan 8.250 nan 0.000 0.442 556 T N 0.834 115.384 114.554 -0.007 0.000 3.007 556 T HA -0.024 4.329 4.350 0.005 0.000 0.270 556 T C 1.005 175.702 174.700 -0.005 0.000 1.107 556 T CA 0.706 62.803 62.100 -0.007 0.000 1.118 556 T CB -0.300 68.562 68.868 -0.009 0.000 0.889 556 T HN 0.426 nan 8.240 nan 0.000 0.506 557 G N 1.004 109.801 108.800 -0.006 0.000 2.593 557 G HA2 0.010 3.973 3.960 0.005 0.000 0.279 557 G HA3 0.010 3.973 3.960 0.005 0.000 0.279 557 G C 0.678 175.577 174.900 -0.002 0.000 1.329 557 G CA -0.061 45.036 45.100 -0.005 0.000 1.036 557 G HN 0.524 nan 8.290 nan 0.000 0.555 558 Q N -1.427 118.372 119.800 -0.000 0.000 2.403 558 Q HA 0.213 4.556 4.340 0.005 0.000 0.203 558 Q C 0.266 176.267 176.000 0.001 0.000 0.932 558 Q CA 0.110 55.913 55.803 0.001 0.000 0.945 558 Q CB -0.148 28.592 28.738 0.003 0.000 1.045 558 Q HN 0.335 nan 8.270 nan 0.000 0.511 559 L N 0.878 122.103 121.223 0.002 0.000 2.313 559 L HA 0.419 4.762 4.340 0.005 0.000 0.268 559 L C -0.112 176.761 176.870 0.005 0.000 1.010 559 L CA -1.142 53.700 54.840 0.004 0.000 0.814 559 L CB 1.751 43.814 42.059 0.007 0.000 1.304 559 L HN 0.097 nan 8.230 nan 0.000 0.441 560 Q N 0.760 120.564 119.800 0.006 0.000 2.314 560 Q HA 0.476 4.819 4.340 0.005 0.000 0.258 560 Q C -1.471 174.537 176.000 0.012 0.000 0.954 560 Q CA -0.251 55.556 55.803 0.008 0.000 0.890 560 Q CB 1.312 30.055 28.738 0.008 0.000 1.210 560 Q HN 0.392 nan 8.270 nan 0.000 0.410 561 V N 1.861 121.782 119.914 0.013 0.000 2.733 561 V HA 0.757 4.880 4.120 0.005 0.000 0.306 561 V C -1.165 174.939 176.094 0.017 0.000 1.084 561 V CA -0.879 61.430 62.300 0.016 0.000 0.905 561 V CB 1.746 33.577 31.823 0.012 0.000 1.010 561 V HN 0.807 nan 8.190 nan 0.000 0.424 562 A N 2.929 125.762 122.820 0.022 0.000 2.335 562 A HA 0.704 5.027 4.320 0.005 0.000 0.304 562 A C -0.327 177.273 177.584 0.027 0.000 1.118 562 A CA -0.586 51.465 52.037 0.023 0.000 0.757 562 A CB 0.825 19.839 19.000 0.024 0.000 1.188 562 A HN 0.797 nan 8.150 nan 0.000 0.460 563 E N 1.099 121.314 120.200 0.025 0.000 2.376 563 E HA 0.335 4.688 4.350 0.005 0.000 0.266 563 E C -0.837 175.785 176.600 0.036 0.000 1.009 563 E CA 0.295 56.712 56.400 0.029 0.000 0.902 563 E CB 1.177 30.891 29.700 0.023 0.000 0.972 563 E HN 0.370 nan 8.360 nan 0.000 0.439 564 V N 2.643 122.584 119.914 0.045 0.000 2.638 564 V HA 0.128 4.251 4.120 0.005 0.000 0.306 564 V C 0.042 176.176 176.094 0.067 0.000 1.052 564 V CA -0.677 61.654 62.300 0.051 0.000 0.885 564 V CB 2.046 33.900 31.823 0.050 0.000 0.999 564 V HN 0.582 nan 8.190 nan 0.000 0.424 565 S N 2.243 117.987 115.700 0.074 0.000 2.565 565 S HA 0.331 4.804 4.470 0.005 0.000 0.274 565 S C 1.092 175.767 174.600 0.126 0.000 1.309 565 S CA 0.257 58.517 58.200 0.099 0.000 1.043 565 S CB 1.164 64.422 63.200 0.096 0.000 0.939 565 S HN 1.020 nan 8.310 nan 0.000 0.504 566 T N 2.654 117.308 114.554 0.167 0.000 3.054 566 T HA 0.354 4.707 4.350 0.005 0.000 0.255 566 T C 0.542 175.424 174.700 0.304 0.000 1.035 566 T CA -0.257 61.975 62.100 0.219 0.000 0.941 566 T CB -0.291 68.718 68.868 0.236 0.000 1.026 566 T HN 0.427 nan 8.240 nan 0.000 0.533 567 L N 2.214 123.592 121.223 0.258 0.000 2.439 567 L HA 0.605 4.948 4.340 0.005 0.000 0.261 567 L C -0.319 176.717 176.870 0.276 0.000 1.153 567 L CA -1.360 53.626 54.840 0.244 0.000 0.808 567 L CB 0.649 42.811 42.059 0.171 0.000 1.126 567 L HN 0.456 nan 8.230 nan 0.000 0.460 568 Y N -1.624 118.726 120.300 0.083 0.000 2.592 568 Y HA 0.457 5.010 4.550 0.005 0.000 0.334 568 Y C -0.971 174.939 175.900 0.017 0.000 1.136 568 Y CA -1.499 56.623 58.100 0.037 0.000 1.042 568 Y CB 0.727 39.197 38.460 0.017 0.000 1.325 568 Y HN 0.405 nan 8.280 nan 0.000 0.457 575 S N 0.535 116.152 115.700 -0.138 0.000 2.546 575 S HA 0.413 4.886 4.470 0.005 0.000 0.272 575 S C 0.684 175.038 174.600 -0.410 0.000 1.140 575 S CA -0.794 57.306 58.200 -0.167 0.000 0.920 575 S CB 1.655 64.783 63.200 -0.120 0.000 1.083 575 S HN 0.511 nan 8.310 nan 0.000 0.476 576 L N 2.279 123.248 121.223 -0.423 0.000 2.058 576 L HA -0.228 4.116 4.340 0.005 0.000 0.226 576 L C 2.430 179.072 176.870 -0.379 0.000 1.089 576 L CA 2.950 57.498 54.840 -0.488 0.000 0.799 576 L CB -0.869 41.087 42.059 -0.172 0.000 0.900 576 L HN 1.070 nan 8.230 nan 0.000 0.442 577 E N -0.920 119.113 120.200 -0.279 0.000 2.065 577 E HA -0.324 4.030 4.350 0.005 0.000 0.201 577 E C 1.900 178.349 176.600 -0.252 0.000 1.016 577 E CA 1.858 58.098 56.400 -0.267 0.000 0.818 577 E CB -0.403 29.162 29.700 -0.225 0.000 0.749 577 E HN 0.863 nan 8.360 nan 0.000 0.453 578 D N -0.076 120.181 120.400 -0.239 0.000 2.183 578 D HA -0.080 4.564 4.640 0.005 0.000 0.205 578 D C 1.925 178.092 176.300 -0.222 0.000 0.962 578 D CA 1.213 55.097 54.000 -0.193 0.000 0.849 578 D CB -0.350 40.362 40.800 -0.146 0.000 0.978 578 D HN 0.238 nan 8.370 nan 0.000 0.488 579 A N 0.798 123.397 122.820 -0.370 0.000 1.986 579 A HA -0.143 4.180 4.320 0.005 0.000 0.220 579 A C 2.265 179.713 177.584 -0.227 0.000 1.171 579 A CA 1.531 53.320 52.037 -0.412 0.000 0.640 579 A CB -0.808 17.566 19.000 -1.043 0.000 0.811 579 A HN 0.356 nan 8.150 nan 0.000 0.451 580 L N -0.731 120.366 121.223 -0.211 0.000 2.240 580 L HA 0.016 4.360 4.340 0.005 0.000 0.211 580 L C 2.286 179.113 176.870 -0.072 0.000 1.106 580 L CA 2.359 57.135 54.840 -0.106 0.000 0.793 580 L CB -0.768 41.233 42.059 -0.097 0.000 0.927 580 L HN 0.343 nan 8.230 nan 0.000 0.446 581 T N -0.458 114.044 114.554 -0.087 0.000 2.857 581 T HA -0.065 4.288 4.350 0.005 0.000 0.266 581 T C 1.678 176.340 174.700 -0.062 0.000 1.048 581 T CA 1.284 63.347 62.100 -0.061 0.000 1.139 581 T CB -0.226 68.609 68.868 -0.056 0.000 0.874 581 T HN 0.378 nan 8.240 nan 0.000 0.455 582 N N 1.434 120.096 118.700 -0.062 0.000 2.244 582 N HA 0.034 4.777 4.740 0.005 0.000 0.183 582 N C 1.924 177.418 175.510 -0.027 0.000 1.016 582 N CA 0.475 53.501 53.050 -0.039 0.000 0.866 582 N CB -0.290 38.176 38.487 -0.034 0.000 0.980 582 N HN 0.294 nan 8.380 nan 0.000 0.430 583 L N 1.277 122.482 121.223 -0.030 0.000 1.955 583 L HA -0.173 4.170 4.340 0.005 0.000 0.213 583 L C 2.181 179.033 176.870 -0.030 0.000 1.072 583 L CA 1.465 56.298 54.840 -0.013 0.000 0.755 583 L CB -0.577 41.480 42.059 -0.003 0.000 0.888 583 L HN -0.095 nan 8.230 nan 0.000 0.432 584 V N 0.475 120.343 119.914 -0.076 0.000 2.282 584 V HA -0.371 3.752 4.120 0.005 0.000 0.249 584 V C 2.620 178.675 176.094 -0.065 0.000 1.057 584 V CA 2.280 64.508 62.300 -0.121 0.000 1.032 584 V CB -0.568 31.058 31.823 -0.328 0.000 0.645 584 V HN 0.489 nan 8.190 nan 0.000 0.447 585 K N -0.733 119.636 120.400 -0.051 0.000 2.057 585 K HA -0.145 4.178 4.320 0.005 0.000 0.207 585 K C 2.114 178.710 176.600 -0.008 0.000 1.049 585 K CA 1.815 58.089 56.287 -0.023 0.000 0.931 585 K CB -0.441 32.048 32.500 -0.019 0.000 0.714 585 K HN 0.454 nan 8.250 nan 0.000 0.440 586 T N 0.938 115.489 114.554 -0.005 0.000 2.915 586 T HA -0.078 4.275 4.350 0.005 0.000 0.269 586 T C 1.869 176.576 174.700 0.012 0.000 1.071 586 T CA 1.136 63.240 62.100 0.007 0.000 1.132 586 T CB -0.083 68.793 68.868 0.013 0.000 0.878 586 T HN 0.312 nan 8.240 nan 0.000 0.479 587 A N 1.215 124.041 122.820 0.010 0.000 1.855 587 A HA 0.095 4.419 4.320 0.005 0.000 0.213 587 A C 2.216 179.812 177.584 0.021 0.000 1.195 587 A CA 0.804 52.853 52.037 0.020 0.000 0.610 587 A CB -0.672 18.342 19.000 0.022 0.000 0.837 587 A HN 0.459 nan 8.150 nan 0.000 0.444 588 I N 0.068 120.647 120.570 0.015 0.000 2.118 588 I HA -0.350 3.823 4.170 0.005 0.000 0.241 588 I C 2.939 179.065 176.117 0.016 0.000 1.070 588 I CA 1.431 62.742 61.300 0.018 0.000 1.327 588 I CB -0.271 37.738 38.000 0.015 0.000 1.034 588 I HN 0.363 nan 8.210 nan 0.000 0.405 589 A N -0.332 122.495 122.820 0.013 0.000 1.969 589 A HA -0.155 4.168 4.320 0.005 0.000 0.218 589 A C 2.339 179.932 177.584 0.014 0.000 1.169 589 A CA 2.124 54.168 52.037 0.012 0.000 0.635 589 A CB -0.885 18.121 19.000 0.009 0.000 0.810 589 A HN 0.399 nan 8.150 nan 0.000 0.445 590 T N -0.678 113.886 114.554 0.017 0.000 2.857 590 T HA -0.062 4.291 4.350 0.005 0.000 0.266 590 T C 1.839 176.551 174.700 0.021 0.000 1.048 590 T CA 1.429 63.540 62.100 0.019 0.000 1.139 590 T CB -0.203 68.679 68.868 0.023 0.000 0.874 590 T HN 0.138 nan 8.240 nan 0.000 0.455 591 V N 1.506 121.434 119.914 0.024 0.000 2.379 591 V HA -0.111 4.013 4.120 0.005 0.000 0.245 591 V C 2.524 178.630 176.094 0.020 0.000 1.044 591 V CA 1.464 63.779 62.300 0.025 0.000 1.036 591 V CB -0.499 31.343 31.823 0.032 0.000 0.664 591 V HN 0.485 nan 8.190 nan 0.000 0.453 592 Q N -0.598 119.212 119.800 0.017 0.000 2.437 592 Q HA -0.051 4.292 4.340 0.005 0.000 0.210 592 Q C 2.072 178.078 176.000 0.011 0.000 0.972 592 Q CA 1.209 57.020 55.803 0.013 0.000 0.903 592 Q CB -0.107 28.638 28.738 0.012 0.000 0.967 592 Q HN 0.678 nan 8.270 nan 0.000 0.486 593 A N -0.692 122.135 122.820 0.012 0.000 2.195 593 A HA 0.320 4.644 4.320 0.005 0.000 0.210 593 A C 1.432 179.022 177.584 0.010 0.000 1.165 593 A CA 0.937 52.980 52.037 0.010 0.000 0.806 593 A CB 0.401 19.408 19.000 0.011 0.000 0.847 593 A HN 0.403 nan 8.150 nan 0.000 0.482 594 G N -2.241 106.566 108.800 0.011 0.000 2.227 594 G HA2 0.241 4.204 3.960 0.005 0.000 0.168 594 G HA3 0.241 4.204 3.960 0.005 0.000 0.168 594 G C 0.360 175.268 174.900 0.012 0.000 1.006 594 G CA -0.008 45.098 45.100 0.010 0.000 0.684 594 G HN 1.332 nan 8.290 nan 0.000 0.489 595 A N 0.307 123.136 122.820 0.016 0.000 2.462 595 A HA 0.639 4.963 4.320 0.005 0.000 0.243 595 A C 1.013 178.611 177.584 0.023 0.000 1.076 595 A CA 1.051 53.099 52.037 0.019 0.000 0.773 595 A CB 0.265 19.279 19.000 0.023 0.000 1.010 595 A HN 0.434 nan 8.150 nan 0.000 0.493 596 E N 1.079 121.292 120.200 0.023 0.000 2.434 596 E HA 0.208 4.561 4.350 0.005 0.000 0.207 596 E C -0.593 176.028 176.600 0.035 0.000 0.929 596 E CA 0.345 56.761 56.400 0.026 0.000 1.001 596 E CB 0.460 30.171 29.700 0.017 0.000 1.016 596 E HN 0.702 nan 8.360 nan 0.000 0.502 597 I N 2.199 122.788 120.570 0.032 0.000 2.447 597 I HA 0.218 4.391 4.170 0.005 0.000 0.287 597 I C -1.110 175.030 176.117 0.039 0.000 1.023 597 I CA -0.984 60.339 61.300 0.037 0.000 1.083 597 I CB 1.691 39.708 38.000 0.028 0.000 1.245 597 I HN -0.113 nan 8.210 nan 0.000 0.434 598 L N 7.363 128.616 121.223 0.050 0.000 2.289 598 L HA 0.424 4.768 4.340 0.005 0.000 0.285 598 L C -0.116 176.786 176.870 0.053 0.000 1.049 598 L CA -0.434 54.437 54.840 0.050 0.000 0.804 598 L CB 1.717 43.811 42.059 0.059 0.000 1.195 598 L HN 0.271 nan 8.230 nan 0.000 0.428 599 V N 5.698 125.641 119.914 0.048 0.000 2.257 599 V HA 0.272 4.395 4.120 0.005 0.000 0.269 599 V C 0.140 176.269 176.094 0.059 0.000 1.040 599 V CA -0.632 61.699 62.300 0.050 0.000 0.813 599 V CB 0.601 32.447 31.823 0.038 0.000 1.065 599 V HN 0.466 nan 8.190 nan 0.000 0.457 600 L N 5.092 126.357 121.223 0.070 0.000 2.515 600 L HA 0.268 4.611 4.340 0.005 0.000 0.281 600 L C 0.725 177.651 176.870 0.093 0.000 1.131 600 L CA 0.323 55.212 54.840 0.081 0.000 0.905 600 L CB -0.430 41.680 42.059 0.086 0.000 1.246 600 L HN 0.584 nan 8.230 nan 0.000 0.463 601 T N -1.696 112.913 114.554 0.091 0.000 2.795 601 T HA 0.295 4.648 4.350 0.005 0.000 0.282 601 T C 0.307 175.088 174.700 0.135 0.000 0.980 601 T CA -0.814 61.344 62.100 0.098 0.000 1.012 601 T CB 1.577 70.475 68.868 0.050 0.000 0.936 601 T HN 0.607 nan 8.240 nan 0.000 0.457 602 D N 0.892 121.400 120.400 0.179 0.000 2.395 602 D HA 0.027 4.671 4.640 0.005 0.000 0.226 602 D C 0.797 177.229 176.300 0.220 0.000 1.146 602 D CA -0.676 53.462 54.000 0.229 0.000 0.830 602 D CB 0.269 41.242 40.800 0.289 0.000 0.958 602 D HN 0.519 nan 8.370 nan 0.000 0.501 603 R N 0.596 121.153 120.500 0.095 0.000 2.653 603 R HA 0.301 4.644 4.340 0.005 0.000 0.269 603 R C -3.095 173.199 176.300 -0.010 0.000 1.603 603 R CA -1.365 54.742 56.100 0.011 0.000 1.671 603 R CB 0.304 30.476 30.300 -0.212 0.000 1.300 603 R HN -0.035 nan 8.270 nan 0.000 0.668 604 P HA 0.148 nan 4.420 nan 0.000 0.274 604 P C -0.619 176.693 177.300 0.019 0.000 1.231 604 P CA -0.127 62.990 63.100 0.029 0.000 0.790 604 P CB 0.498 32.230 31.700 0.052 0.000 0.951 605 N N 1.158 119.865 118.700 0.011 0.000 2.693 605 N HA -0.226 4.517 4.740 0.005 0.000 0.249 605 N C 1.165 176.678 175.510 0.004 0.000 1.119 605 N CA 1.851 54.906 53.050 0.009 0.000 0.717 605 N CB -1.911 36.586 38.487 0.016 0.000 1.071 605 N HN 0.895 nan 8.380 nan 0.000 0.555 606 G N -2.059 106.735 108.800 -0.011 0.000 2.284 606 G HA2 -0.245 3.718 3.960 0.005 0.000 0.261 606 G HA3 -0.245 3.718 3.960 0.005 0.000 0.261 606 G C 0.375 175.283 174.900 0.015 0.000 0.997 606 G CA 1.078 46.170 45.100 -0.012 0.000 0.621 606 G HN 1.256 nan 8.290 nan 0.000 0.534 607 A N -0.124 122.711 122.820 0.025 0.000 2.386 607 A HA 0.715 5.038 4.320 0.005 0.000 0.248 607 A C 0.547 178.172 177.584 0.067 0.000 1.082 607 A CA 0.067 52.129 52.037 0.043 0.000 0.789 607 A CB 0.443 19.465 19.000 0.036 0.000 1.025 607 A HN 0.761 nan 8.150 nan 0.000 0.490 608 I N 0.460 121.070 120.570 0.066 0.000 2.713 608 I HA 0.182 4.355 4.170 0.005 0.000 0.300 608 I C 0.019 176.205 176.117 0.114 0.000 1.009 608 I CA -0.581 60.770 61.300 0.085 0.000 1.305 608 I CB 1.333 39.319 38.000 -0.023 0.000 1.430 608 I HN 0.634 nan 8.210 nan 0.000 0.546 609 L N 4.867 126.208 121.223 0.196 0.000 2.418 609 L HA 0.159 4.502 4.340 0.005 0.000 0.274 609 L C 0.441 177.384 176.870 0.122 0.000 1.135 609 L CA 0.533 55.486 54.840 0.188 0.000 0.870 609 L CB 0.370 42.589 42.059 0.267 0.000 1.154 609 L HN 0.725 nan 8.230 nan 0.000 0.462 610 T N 0.186 114.715 114.554 -0.042 0.000 2.910 610 T HA 0.308 4.661 4.350 0.005 0.000 0.279 610 T C 0.893 175.185 174.700 -0.681 0.000 0.989 610 T CA -0.089 61.867 62.100 -0.240 0.000 0.968 610 T CB 0.896 69.675 68.868 -0.148 0.000 1.135 610 T HN 0.706 nan 8.240 nan 0.000 0.562 611 E N 0.286 119.890 120.200 -0.993 0.000 2.409 611 E HA -0.107 4.246 4.350 0.005 0.000 0.198 611 E C 0.949 177.371 176.600 -0.296 0.000 1.024 611 E CA 0.526 56.295 56.400 -1.052 0.000 0.861 611 E CB -0.291 28.974 29.700 -0.726 0.000 0.788 611 E HN 0.475 nan 8.360 nan 0.000 0.521 612 N N 0.769 119.329 118.700 -0.234 0.000 2.322 612 N HA 0.058 4.801 4.740 0.005 0.000 0.194 612 N C -0.233 175.196 175.510 -0.135 0.000 1.126 612 N CA 0.349 53.319 53.050 -0.132 0.000 0.845 612 N CB 0.519 38.946 38.487 -0.100 0.000 0.976 612 N HN 0.352 nan 8.380 nan 0.000 0.475 613 Q N -0.692 119.016 119.800 -0.155 0.000 2.433 613 Q HA 0.516 4.860 4.340 0.005 0.000 0.279 613 Q C -0.802 175.055 176.000 -0.237 0.000 1.105 613 Q CA -0.564 55.123 55.803 -0.195 0.000 0.815 613 Q CB 2.610 31.288 28.738 -0.101 0.000 1.403 613 Q HN -0.112 nan 8.270 nan 0.000 0.435 614 S N 0.018 115.411 115.700 -0.512 0.000 2.811 614 S HA 0.868 5.341 4.470 0.005 0.000 0.311 614 S C -1.717 172.681 174.600 -0.336 0.000 1.152 614 S CA -0.609 57.299 58.200 -0.486 0.000 0.864 614 S CB 0.941 63.716 63.200 -0.710 0.000 1.226 614 S HN 0.488 nan 8.310 nan 0.000 0.541 615 F N -0.306 119.554 119.950 -0.150 0.000 2.620 615 F HA 0.752 5.284 4.527 0.007 0.000 0.320 615 F C -1.038 174.917 175.800 0.258 0.000 1.069 615 F CA -1.302 56.763 58.000 0.108 0.000 0.953 615 F CB 0.693 39.788 39.000 0.159 0.000 1.322 615 F HN 0.325 nan 8.300 nan 0.000 0.479 616 I N 2.704 123.533 120.570 0.432 0.000 2.312 616 I HA 0.327 4.500 4.170 0.005 0.000 0.291 616 I C -2.339 173.988 176.117 0.351 0.000 1.031 616 I CA -2.000 59.455 61.300 0.259 0.000 1.293 616 I CB 1.031 39.143 38.000 0.187 0.000 1.403 616 I HN 0.314 nan 8.210 nan 0.000 0.484 617 P HA 0.015 nan 4.420 nan 0.000 0.264 617 P C -2.025 175.340 177.300 0.109 0.000 1.183 617 P CA -0.815 62.436 63.100 0.252 0.000 0.763 617 P CB 0.089 31.824 31.700 0.058 0.000 0.807 618 P HA -0.150 nan 4.420 nan 0.000 0.218 618 P C 1.336 178.621 177.300 -0.025 0.000 1.148 618 P CA 0.736 63.858 63.100 0.036 0.000 0.822 618 P CB -0.104 31.608 31.700 0.021 0.000 0.784 619 L N -0.847 120.276 121.223 -0.167 0.000 2.093 619 L HA -0.091 4.252 4.340 0.005 0.000 0.208 619 L C 2.077 178.975 176.870 0.047 0.000 1.085 619 L CA 1.669 56.425 54.840 -0.140 0.000 0.755 619 L CB -1.554 40.226 42.059 -0.465 0.000 0.904 619 L HN -0.116 nan 8.230 nan 0.000 0.435 620 L N -0.268 120.980 121.223 0.042 0.000 2.056 620 L HA 0.015 4.359 4.340 0.005 0.000 0.207 620 L C 2.504 179.359 176.870 -0.026 0.000 1.078 620 L CA 1.971 56.821 54.840 0.016 0.000 0.749 620 L CB -1.241 40.833 42.059 0.025 0.000 0.901 620 L HN 0.256 nan 8.230 nan 0.000 0.433 621 A N -1.036 121.800 122.820 0.027 0.000 1.865 621 A HA -0.221 4.102 4.320 0.005 0.000 0.217 621 A C 2.428 180.035 177.584 0.039 0.000 1.191 621 A CA 2.319 54.382 52.037 0.043 0.000 0.623 621 A CB -1.363 17.685 19.000 0.081 0.000 0.826 621 A HN 0.327 nan 8.150 nan 0.000 0.444 622 V N -0.162 119.785 119.914 0.055 0.000 2.548 622 V HA -0.021 4.102 4.120 0.005 0.000 0.249 622 V C 2.440 178.594 176.094 0.101 0.000 1.055 622 V CA 2.105 64.452 62.300 0.079 0.000 1.065 622 V CB -0.841 31.032 31.823 0.084 0.000 0.681 622 V HN 0.591 nan 8.190 nan 0.000 0.462 623 G N -0.261 108.589 108.800 0.084 0.000 2.480 623 G HA2 -0.290 3.673 3.960 0.005 0.000 0.216 623 G HA3 -0.290 3.673 3.960 0.005 0.000 0.216 623 G C 1.800 176.744 174.900 0.073 0.000 1.200 623 G CA 1.157 46.310 45.100 0.090 0.000 0.782 623 G HN 0.704 nan 8.290 nan 0.000 0.554 624 A N 0.109 122.907 122.820 -0.038 0.000 1.883 624 A HA -0.000 4.323 4.320 0.005 0.000 0.217 624 A C 2.722 180.354 177.584 0.079 0.000 1.186 624 A CA 2.669 54.699 52.037 -0.012 0.000 0.624 624 A CB -0.942 18.025 19.000 -0.055 0.000 0.822 624 A HN 1.034 nan 8.150 nan 0.000 0.444 625 V N -0.860 119.089 119.914 0.059 0.000 2.453 625 V HA -0.198 3.925 4.120 0.005 0.000 0.247 625 V C 2.284 178.432 176.094 0.091 0.000 1.048 625 V CA 2.827 65.166 62.300 0.064 0.000 1.049 625 V CB -0.946 30.908 31.823 0.051 0.000 0.672 625 V HN 0.758 nan 8.190 nan 0.000 0.457 626 H N 0.221 119.272 119.070 -0.032 0.000 2.267 626 H HA -0.175 4.384 4.556 0.006 0.000 0.297 626 H C 2.307 177.498 175.328 -0.228 0.000 1.080 626 H CA 2.648 58.610 56.048 -0.144 0.000 1.278 626 H CB -0.513 29.116 29.762 -0.221 0.000 1.365 626 H HN 0.607 nan 8.280 nan 0.000 0.489 627 H N -0.796 118.159 119.070 -0.192 0.000 2.457 627 H HA -0.065 4.494 4.556 0.006 0.000 0.294 627 H C 2.003 177.117 175.328 -0.357 0.000 1.064 627 H CA 1.490 57.327 56.048 -0.352 0.000 1.330 627 H CB -0.031 29.554 29.762 -0.295 0.000 1.395 627 H HN 0.650 nan 8.280 nan 0.000 0.541 628 H N -0.486 118.503 119.070 -0.135 0.000 2.482 628 H HA -0.047 4.513 4.556 0.005 0.000 0.286 628 H C 2.065 177.330 175.328 -0.104 0.000 1.017 628 H CA 0.110 56.075 56.048 -0.138 0.000 1.322 628 H CB 0.433 30.102 29.762 -0.154 0.000 1.426 628 H HN 0.140 nan 8.280 nan 0.000 0.546 629 L N 0.983 122.208 121.223 0.003 0.000 2.017 629 L HA -0.158 4.185 4.340 0.005 0.000 0.208 629 L C 2.522 179.350 176.870 -0.070 0.000 1.073 629 L CA 1.240 56.069 54.840 -0.019 0.000 0.745 629 L CB -0.893 41.165 42.059 -0.001 0.000 0.894 629 L HN 0.204 nan 8.230 nan 0.000 0.432 630 I N -0.837 119.637 120.570 -0.160 0.000 2.091 630 I HA -0.387 3.787 4.170 0.005 0.000 0.239 630 I C 2.611 178.649 176.117 -0.131 0.000 1.061 630 I CA 1.398 62.587 61.300 -0.186 0.000 1.317 630 I CB -0.332 37.481 38.000 -0.312 0.000 1.031 630 I HN 0.270 nan 8.210 nan 0.000 0.401 631 R N 0.542 120.952 120.500 -0.149 0.000 2.159 631 R HA -0.112 4.232 4.340 0.005 0.000 0.237 631 R C 2.031 178.286 176.300 -0.075 0.000 1.131 631 R CA 1.375 57.396 56.100 -0.133 0.000 0.982 631 R CB -0.360 29.816 30.300 -0.207 0.000 0.868 631 R HN 0.393 nan 8.270 nan 0.000 0.453 632 A N 0.144 122.933 122.820 -0.051 0.000 2.275 632 A HA 0.242 4.565 4.320 0.005 0.000 0.212 632 A C 1.253 178.826 177.584 -0.018 0.000 1.201 632 A CA 0.586 52.611 52.037 -0.021 0.000 0.843 632 A CB 0.128 19.128 19.000 0.000 0.000 0.873 632 A HN 0.398 nan 8.150 nan 0.000 0.492 633 G N -0.739 108.043 108.800 -0.030 0.000 2.225 633 G HA2 -0.210 3.753 3.960 0.005 0.000 0.264 633 G HA3 -0.210 3.753 3.960 0.005 0.000 0.264 633 G C 0.306 175.204 174.900 -0.003 0.000 1.060 633 G CA 0.518 45.608 45.100 -0.018 0.000 0.833 633 G HN 0.628 nan 8.290 nan 0.000 0.498 634 L N -1.554 119.668 121.223 -0.002 0.000 3.184 634 L HA 0.340 4.683 4.340 0.005 0.000 0.283 634 L C 2.101 178.994 176.870 0.037 0.000 1.218 634 L CA -0.322 54.528 54.840 0.017 0.000 1.028 634 L CB 0.402 42.471 42.059 0.017 0.000 1.400 634 L HN 0.141 nan 8.230 nan 0.000 0.591 635 R N 0.664 121.187 120.500 0.038 0.000 2.236 635 R HA 0.025 4.368 4.340 0.005 0.000 0.208 635 R C 1.544 177.951 176.300 0.179 0.000 1.036 635 R CA 1.105 57.258 56.100 0.089 0.000 1.001 635 R CB -0.062 30.246 30.300 0.014 0.000 0.896 635 R HN 0.165 nan 8.270 nan 0.000 0.464 636 L N 0.280 121.584 121.223 0.135 0.000 2.509 636 L HA 0.099 4.442 4.340 0.005 0.000 0.222 636 L C 1.332 178.245 176.870 0.071 0.000 1.123 636 L CA 1.213 56.125 54.840 0.120 0.000 0.856 636 L CB -0.106 42.005 42.059 0.086 0.000 0.985 636 L HN -0.009 nan 8.230 nan 0.000 0.456 637 K N -0.331 120.107 120.400 0.064 0.000 2.418 637 K HA 0.379 4.702 4.320 0.005 0.000 0.195 637 K C 0.539 177.169 176.600 0.049 0.000 1.035 637 K CA 0.504 56.816 56.287 0.043 0.000 1.003 637 K CB 0.462 32.983 32.500 0.035 0.000 0.793 637 K HN 0.185 nan 8.250 nan 0.000 0.494 638 A N 0.344 123.209 122.820 0.076 0.000 2.604 638 A HA 0.543 4.866 4.320 0.005 0.000 0.295 638 A C -0.949 176.706 177.584 0.118 0.000 1.067 638 A CA -0.572 51.513 52.037 0.080 0.000 0.683 638 A CB 1.413 20.456 19.000 0.071 0.000 1.281 638 A HN -0.019 nan 8.150 nan 0.000 0.407 639 S N 0.059 115.822 115.700 0.105 0.000 2.593 639 S HA 0.744 5.217 4.470 0.005 0.000 0.297 639 S C -0.621 174.050 174.600 0.117 0.000 1.112 639 S CA -0.478 57.800 58.200 0.131 0.000 1.043 639 S CB 0.948 64.204 63.200 0.092 0.000 1.054 639 S HN 0.533 nan 8.310 nan 0.000 0.516 640 L N 2.752 124.060 121.223 0.140 0.000 2.287 640 L HA 0.563 4.907 4.340 0.005 0.000 0.287 640 L C -0.709 176.214 176.870 0.090 0.000 1.022 640 L CA -0.362 54.548 54.840 0.116 0.000 0.814 640 L CB 0.779 42.920 42.059 0.137 0.000 1.217 640 L HN 0.451 nan 8.230 nan 0.000 0.420 641 I N 3.587 124.200 120.570 0.072 0.000 2.359 641 I HA 0.302 4.475 4.170 0.005 0.000 0.294 641 I C -0.288 175.872 176.117 0.071 0.000 0.987 641 I CA -0.807 60.530 61.300 0.063 0.000 1.225 641 I CB 2.246 40.276 38.000 0.050 0.000 1.366 641 I HN 0.237 nan 8.210 nan 0.000 0.466 642 V N 4.970 124.927 119.914 0.073 0.000 2.348 642 V HA 0.136 4.259 4.120 0.005 0.000 0.270 642 V C -0.333 175.812 176.094 0.085 0.000 1.037 642 V CA -0.328 62.016 62.300 0.073 0.000 0.872 642 V CB 1.316 33.173 31.823 0.056 0.000 1.002 642 V HN 0.636 nan 8.190 nan 0.000 0.464 643 D N 3.578 124.042 120.400 0.106 0.000 2.443 643 D HA 0.462 5.106 4.640 0.005 0.000 0.221 643 D C -0.270 176.166 176.300 0.227 0.000 1.097 643 D CA 0.220 54.316 54.000 0.160 0.000 0.865 643 D CB 1.068 41.934 40.800 0.110 0.000 1.034 643 D HN 0.568 nan 8.370 nan 0.000 0.511 644 T N 1.637 116.302 114.554 0.185 0.000 2.916 644 T HA 0.572 4.926 4.350 0.005 0.000 0.305 644 T C 0.705 175.110 174.700 -0.492 0.000 1.119 644 T CA -0.148 61.945 62.100 -0.012 0.000 1.008 644 T CB 1.407 70.254 68.868 -0.036 0.000 1.129 644 T HN 0.196 nan 8.240 nan 0.000 0.480 645 A N 2.531 124.818 122.820 -0.890 0.000 2.016 645 A HA 0.126 4.450 4.320 0.005 0.000 0.217 645 A C 1.491 178.813 177.584 -0.436 0.000 1.162 645 A CA 0.836 52.157 52.037 -1.194 0.000 0.662 645 A CB -0.319 17.418 19.000 -2.104 0.000 0.812 645 A HN 0.745 nan 8.150 nan 0.000 0.450 646 Q N -0.154 119.489 119.800 -0.261 0.000 2.894 646 Q HA 0.322 4.665 4.340 0.005 0.000 0.358 646 Q C -1.168 174.792 176.000 -0.068 0.000 1.155 646 Q CA -0.307 55.516 55.803 0.034 0.000 0.960 646 Q CB -0.276 28.558 28.738 0.161 0.000 1.428 646 Q HN 0.510 nan 8.270 nan 0.000 0.437 647 C N 1.171 120.431 119.300 -0.067 0.000 2.505 647 C HA 0.588 5.051 4.460 0.005 0.000 0.342 647 C C -0.395 174.621 174.990 0.044 0.000 1.121 647 C CA -0.562 58.310 59.018 -0.244 0.000 1.306 647 C CB -0.093 27.376 27.740 -0.452 0.000 1.897 647 C HN 0.968 nan 8.230 nan 0.000 0.446 648 W N 4.153 125.536 121.300 0.139 0.000 3.330 648 W HA 0.395 5.057 4.660 0.003 0.000 0.194 648 W C 0.491 177.115 176.519 0.174 0.000 1.041 648 W CA 0.691 58.149 57.345 0.189 0.000 1.399 648 W CB -1.069 28.452 29.460 0.102 0.000 0.694 648 W HN 0.659 nan 8.180 nan 0.000 0.832 649 S N 0.398 115.729 115.700 -0.616 0.000 2.672 649 S HA 0.394 4.868 4.470 0.005 0.000 0.276 649 S C 0.890 175.388 174.600 -0.170 0.000 1.207 649 S CA 0.458 58.386 58.200 -0.453 0.000 1.002 649 S CB 1.606 64.276 63.200 -0.884 0.000 0.998 649 S HN 0.144 nan 8.310 nan 0.000 0.542 650 T N -0.060 114.453 114.554 -0.067 0.000 2.746 650 T HA -0.209 4.144 4.350 0.005 0.000 0.267 650 T C 1.622 176.327 174.700 0.010 0.000 1.039 650 T CA 1.840 63.938 62.100 -0.003 0.000 1.142 650 T CB -0.907 67.936 68.868 -0.042 0.000 0.866 650 T HN 0.788 nan 8.240 nan 0.000 0.444 651 H N -0.444 118.506 119.070 -0.200 0.000 2.387 651 H HA -0.122 4.437 4.556 0.005 0.000 0.299 651 H C 2.143 177.298 175.328 -0.287 0.000 1.099 651 H CA 1.861 57.767 56.048 -0.237 0.000 1.315 651 H CB -0.053 29.363 29.762 -0.577 0.000 1.380 651 H HN 0.466 nan 8.280 nan 0.000 0.513 652 H N -0.367 118.330 119.070 -0.621 0.000 2.353 652 H HA -0.106 4.453 4.556 0.005 0.000 0.300 652 H C 2.261 177.189 175.328 -0.668 0.000 1.090 652 H CA 1.195 56.510 56.048 -1.221 0.000 1.327 652 H CB -0.906 28.000 29.762 -1.427 0.000 1.383 652 H HN 0.346 nan 8.280 nan 0.000 0.508 653 F N 0.501 120.316 119.950 -0.225 0.000 2.234 653 F HA -0.081 4.450 4.527 0.008 0.000 0.299 653 F C 2.640 178.420 175.800 -0.033 0.000 1.087 653 F CA 0.947 58.886 58.000 -0.102 0.000 1.340 653 F CB -0.318 38.620 39.000 -0.102 0.000 1.031 653 F HN 0.173 nan 8.300 nan 0.000 0.500 654 A N -1.122 121.789 122.820 0.152 0.000 1.897 654 A HA -0.149 4.174 4.320 0.005 0.000 0.215 654 A C 2.247 180.053 177.584 0.370 0.000 1.181 654 A CA 1.491 53.713 52.037 0.308 0.000 0.620 654 A CB -1.429 17.738 19.000 0.279 0.000 0.821 654 A HN 0.447 nan 8.150 nan 0.000 0.443 655 C N -0.995 118.293 119.300 -0.020 0.000 2.413 655 C HA -0.076 4.387 4.460 0.005 0.000 0.277 655 C C 2.531 177.502 174.990 -0.031 0.000 1.265 655 C CA 1.023 59.844 59.018 -0.328 0.000 1.752 655 C CB -1.353 26.074 27.740 -0.522 0.000 1.998 655 C HN 0.557 nan 8.230 nan 0.000 0.489 656 L N 0.427 121.673 121.223 0.038 0.000 1.988 656 L HA -0.060 4.284 4.340 0.005 0.000 0.207 656 L C 2.620 179.565 176.870 0.125 0.000 1.071 656 L CA 1.729 56.617 54.840 0.081 0.000 0.744 656 L CB -1.218 40.865 42.059 0.040 0.000 0.893 656 L HN 0.148 nan 8.230 nan 0.000 0.433 657 V N -0.167 119.853 119.914 0.176 0.000 2.287 657 V HA -0.249 3.874 4.120 0.005 0.000 0.248 657 V C 2.560 178.776 176.094 0.203 0.000 1.053 657 V CA 1.843 64.285 62.300 0.237 0.000 1.027 657 V CB -1.576 30.420 31.823 0.290 0.000 0.646 657 V HN 0.601 nan 8.190 nan 0.000 0.447 658 G N -1.824 107.042 108.800 0.109 0.000 2.462 658 G HA2 -0.266 3.697 3.960 0.005 0.000 0.220 658 G HA3 -0.266 3.697 3.960 0.005 0.000 0.220 658 G C 1.227 175.850 174.900 -0.461 0.000 1.121 658 G CA 0.840 45.803 45.100 -0.228 0.000 0.758 658 G HN 0.615 nan 8.290 nan 0.000 0.559 659 Y N -0.542 119.700 120.300 -0.097 0.000 2.555 659 Y HA 0.418 4.971 4.550 0.005 0.000 0.259 659 Y C 1.755 177.438 175.900 -0.363 0.000 1.179 659 Y CA 0.170 58.187 58.100 -0.138 0.000 1.230 659 Y CB 1.135 39.601 38.460 0.010 0.000 1.146 659 Y HN 0.253 nan 8.280 nan 0.000 0.526 660 G N -0.629 107.991 108.800 -0.301 0.000 2.370 660 G HA2 -0.048 3.915 3.960 0.005 0.000 0.174 660 G HA3 -0.048 3.915 3.960 0.005 0.000 0.174 660 G C 0.051 175.027 174.900 0.126 0.000 1.002 660 G CA -0.377 44.433 45.100 -0.484 0.000 0.730 660 G HN 0.392 nan 8.290 nan 0.000 0.497 661 A N 0.810 123.740 122.820 0.182 0.000 2.366 661 A HA 0.718 5.041 4.320 0.005 0.000 0.272 661 A C 1.378 179.025 177.584 0.105 0.000 1.135 661 A CA 0.926 53.069 52.037 0.176 0.000 0.804 661 A CB 0.681 19.747 19.000 0.109 0.000 1.064 661 A HN 0.846 nan 8.150 nan 0.000 0.499 662 S N 0.852 116.556 115.700 0.006 0.000 2.496 662 S HA 0.436 4.909 4.470 0.005 0.000 0.224 662 S C 0.676 175.217 174.600 -0.097 0.000 0.996 662 S CA 0.661 58.733 58.200 -0.213 0.000 0.927 662 S CB -0.127 62.993 63.200 -0.133 0.000 0.774 662 S HN 1.603 nan 8.310 nan 0.000 0.524 663 A N 0.877 123.695 122.820 -0.004 0.000 2.567 663 A HA 0.658 4.981 4.320 0.005 0.000 0.291 663 A C -1.991 175.638 177.584 0.074 0.000 1.048 663 A CA -0.778 51.276 52.037 0.028 0.000 0.661 663 A CB 0.702 19.704 19.000 0.003 0.000 1.288 663 A HN 0.096 nan 8.150 nan 0.000 0.424 664 I N -0.138 120.502 120.570 0.118 0.000 2.607 664 I HA 0.417 4.590 4.170 0.005 0.000 0.290 664 I C -0.808 175.413 176.117 0.173 0.000 1.129 664 I CA -0.454 60.928 61.300 0.137 0.000 1.042 664 I CB 1.180 39.285 38.000 0.174 0.000 1.242 664 I HN 0.745 nan 8.210 nan 0.000 0.421 665 C N 8.611 127.999 119.300 0.147 0.000 2.258 665 C HA 0.522 4.985 4.460 0.005 0.000 0.321 665 C C -2.222 172.880 174.990 0.186 0.000 1.168 665 C CA -1.441 57.685 59.018 0.181 0.000 1.531 665 C CB 0.542 28.378 27.740 0.159 0.000 2.095 665 C HN 0.486 nan 8.230 nan 0.000 0.449 666 P HA 0.154 nan 4.420 nan 0.000 0.226 666 P C -0.005 177.335 177.300 0.067 0.000 1.832 666 P CA -0.122 63.042 63.100 0.105 0.000 1.092 666 P CB -0.360 31.508 31.700 0.280 0.000 1.873 667 Y N 0.813 121.131 120.300 0.030 0.000 2.263 667 Y HA -0.025 4.527 4.550 0.003 0.000 0.292 667 Y C 1.858 177.722 175.900 -0.060 0.000 1.130 667 Y CA 0.552 58.642 58.100 -0.017 0.000 1.179 667 Y CB -1.015 37.420 38.460 -0.042 0.000 0.998 667 Y HN 0.011 nan 8.280 nan 0.000 0.532 668 L N 0.375 121.237 121.223 -0.600 0.000 2.109 668 L HA -0.058 4.285 4.340 0.005 0.000 0.207 668 L C 2.686 179.463 176.870 -0.154 0.000 1.086 668 L CA 1.383 56.022 54.840 -0.335 0.000 0.760 668 L CB -0.724 41.081 42.059 -0.423 0.000 0.910 668 L HN 0.493 nan 8.230 nan 0.000 0.437 669 A N 0.137 122.932 122.820 -0.041 0.000 1.877 669 A HA -0.205 4.119 4.320 0.005 0.000 0.216 669 A C 2.147 179.584 177.584 -0.245 0.000 1.186 669 A CA 1.332 53.353 52.037 -0.027 0.000 0.620 669 A CB -0.653 18.419 19.000 0.120 0.000 0.822 669 A HN 0.422 nan 8.150 nan 0.000 0.443 670 L N -0.964 120.153 121.223 -0.177 0.000 2.042 670 L HA -0.222 4.121 4.340 0.005 0.000 0.210 670 L C 2.670 179.456 176.870 -0.141 0.000 1.076 670 L CA 1.868 56.607 54.840 -0.167 0.000 0.749 670 L CB -0.511 41.549 42.059 0.002 0.000 0.893 670 L HN 0.480 nan 8.230 nan 0.000 0.432 671 E N 0.069 120.194 120.200 -0.124 0.000 2.110 671 E HA -0.170 4.184 4.350 0.005 0.000 0.193 671 E C 2.205 178.745 176.600 -0.100 0.000 0.988 671 E CA 1.499 57.815 56.400 -0.140 0.000 0.804 671 E CB 0.011 29.569 29.700 -0.236 0.000 0.745 671 E HN 0.268 nan 8.360 nan 0.000 0.458 672 S N -0.669 114.951 115.700 -0.133 0.000 2.370 672 S HA -0.148 4.325 4.470 0.005 0.000 0.226 672 S C 1.990 176.593 174.600 0.006 0.000 1.033 672 S CA 1.227 59.357 58.200 -0.116 0.000 1.011 672 S CB -0.321 62.755 63.200 -0.207 0.000 0.852 672 S HN 0.178 nan 8.310 nan 0.000 0.457 673 V N 1.800 121.691 119.914 -0.038 0.000 2.407 673 V HA -0.166 3.958 4.120 0.005 0.000 0.248 673 V C 2.408 178.635 176.094 0.221 0.000 1.055 673 V CA 1.627 63.994 62.300 0.112 0.000 1.049 673 V CB -0.619 31.162 31.823 -0.070 0.000 0.662 673 V HN 0.370 nan 8.190 nan 0.000 0.455 674 R N -0.513 120.029 120.500 0.071 0.000 2.090 674 R HA -0.086 4.258 4.340 0.005 0.000 0.228 674 R C 2.366 178.750 176.300 0.141 0.000 1.110 674 R CA 1.007 57.152 56.100 0.075 0.000 0.973 674 R CB -0.180 30.110 30.300 -0.016 0.000 0.869 674 R HN 0.516 nan 8.270 nan 0.000 0.440 675 Q N -0.827 119.038 119.800 0.107 0.000 2.269 675 Q HA -0.140 4.203 4.340 0.005 0.000 0.201 675 Q C 1.633 177.703 176.000 0.116 0.000 0.946 675 Q CA 0.756 56.612 55.803 0.088 0.000 0.877 675 Q CB -0.085 28.685 28.738 0.053 0.000 0.963 675 Q HN 0.435 nan 8.270 nan 0.000 0.472 676 W N 0.518 121.827 121.300 0.014 0.000 2.354 676 W HA -0.222 4.437 4.660 -0.001 0.000 0.315 676 W C 1.919 178.464 176.519 0.043 0.000 1.206 676 W CA 1.213 58.566 57.345 0.012 0.000 1.290 676 W CB -0.819 28.648 29.460 0.011 0.000 1.152 676 W HN 0.184 nan 8.180 nan 0.000 0.489 677 W N 1.464 122.511 121.300 -0.421 0.000 2.333 677 W HA -0.067 4.609 4.660 0.026 0.000 0.316 677 W C 0.640 176.902 176.519 -0.429 0.000 1.215 677 W CA 1.953 58.890 57.345 -0.679 0.000 1.278 677 W CB -0.779 28.489 29.460 -0.319 0.000 1.154 677 W HN -0.348 nan 8.180 nan 0.000 0.486 678 L N 2.422 123.684 121.223 0.066 0.000 2.426 678 L HA 0.136 4.479 4.340 0.005 0.000 0.271 678 L C -0.467 176.287 176.870 -0.195 0.000 1.169 678 L CA 0.412 55.220 54.840 -0.053 0.000 0.836 678 L CB 0.240 42.358 42.059 0.098 0.000 1.112 678 L HN 0.074 nan 8.230 nan 0.000 0.465 679 D N 0.768 121.029 120.400 -0.231 0.000 4.293 679 D HA -0.113 4.530 4.640 0.005 0.000 0.180 679 D C 0.483 176.627 176.300 -0.260 0.000 1.264 679 D CA 0.144 54.022 54.000 -0.203 0.000 1.554 679 D CB 0.190 40.881 40.800 -0.181 0.000 2.429 679 D HN 0.747 nan 8.370 nan 0.000 0.601 680 E N 3.250 123.340 120.200 -0.185 0.000 2.209 680 E HA -0.168 4.186 4.350 0.005 0.000 0.196 680 E C 1.278 177.774 176.600 -0.173 0.000 0.993 680 E CA 1.406 57.699 56.400 -0.178 0.000 0.819 680 E CB 0.115 29.742 29.700 -0.120 0.000 0.745 680 E HN 0.543 nan 8.360 nan 0.000 0.477 681 K N 0.120 120.431 120.400 -0.148 0.000 2.001 681 K HA -0.066 4.257 4.320 0.005 0.000 0.208 681 K C 2.314 178.818 176.600 -0.160 0.000 1.048 681 K CA 1.820 58.035 56.287 -0.119 0.000 0.932 681 K CB -0.338 32.119 32.500 -0.071 0.000 0.715 681 K HN 0.143 nan 8.250 nan 0.000 0.437 682 T N 1.678 116.084 114.554 -0.247 0.000 2.759 682 T HA -0.139 4.214 4.350 0.005 0.000 0.269 682 T C 1.830 176.280 174.700 -0.418 0.000 1.042 682 T CA 1.111 62.991 62.100 -0.367 0.000 1.140 682 T CB -0.075 68.358 68.868 -0.725 0.000 0.864 682 T HN 0.209 nan 8.240 nan 0.000 0.455 683 Q N 0.669 120.200 119.800 -0.448 0.000 2.167 683 Q HA -0.030 4.313 4.340 0.005 0.000 0.202 683 Q C 2.291 178.137 176.000 -0.256 0.000 0.970 683 Q CA 1.047 56.593 55.803 -0.429 0.000 0.855 683 Q CB -0.223 28.256 28.738 -0.431 0.000 0.911 683 Q HN 0.499 nan 8.270 nan 0.000 0.438 684 K N 0.701 120.985 120.400 -0.193 0.000 2.148 684 K HA -0.063 4.261 4.320 0.005 0.000 0.204 684 K C 2.008 178.549 176.600 -0.098 0.000 1.050 684 K CA 0.631 56.843 56.287 -0.124 0.000 0.942 684 K CB 0.066 32.507 32.500 -0.098 0.000 0.724 684 K HN 0.103 nan 8.250 nan 0.000 0.446 685 L N 0.050 121.210 121.223 -0.104 0.000 2.209 685 L HA 0.020 4.364 4.340 0.005 0.000 0.207 685 L C 2.268 179.107 176.870 -0.052 0.000 1.094 685 L CA 0.553 55.359 54.840 -0.057 0.000 0.790 685 L CB -0.152 41.892 42.059 -0.025 0.000 0.932 685 L HN 0.217 nan 8.230 nan 0.000 0.447 686 M N -0.782 118.757 119.600 -0.102 0.000 2.630 686 M HA -0.092 4.391 4.480 0.005 0.000 0.254 686 M C 1.469 177.732 176.300 -0.062 0.000 1.092 686 M CA 1.064 56.317 55.300 -0.077 0.000 1.087 686 M CB -0.042 32.476 32.600 -0.137 0.000 1.453 686 M HN 0.201 nan 8.290 nan 0.000 0.509 687 E N 0.454 120.610 120.200 -0.073 0.000 2.364 687 E HA -0.015 4.339 4.350 0.005 0.000 0.196 687 E C 0.841 177.422 176.600 -0.032 0.000 0.990 687 E CA 0.587 56.955 56.400 -0.053 0.000 0.886 687 E CB 0.111 29.769 29.700 -0.069 0.000 0.866 687 E HN 0.614 nan 8.360 nan 0.000 0.493 688 N N -0.783 117.899 118.700 -0.029 0.000 2.184 688 N HA 0.090 4.833 4.740 0.005 0.000 0.206 688 N C 0.873 176.380 175.510 -0.005 0.000 1.151 688 N CA 0.638 53.678 53.050 -0.016 0.000 0.878 688 N CB 1.160 39.636 38.487 -0.019 0.000 1.014 688 N HN 0.047 nan 8.380 nan 0.000 0.512 689 G N 0.385 109.186 108.800 0.001 0.000 2.145 689 G HA2 -0.226 3.737 3.960 0.005 0.000 0.145 689 G HA3 -0.226 3.737 3.960 0.005 0.000 0.145 689 G C -0.282 174.634 174.900 0.025 0.000 1.017 689 G CA -0.204 44.905 45.100 0.014 0.000 0.682 689 G HN 0.651 nan 8.290 nan 0.000 0.504 690 R N 0.340 120.858 120.500 0.030 0.000 2.582 690 R HA 0.690 5.033 4.340 0.005 0.000 0.271 690 R C 0.939 177.280 176.300 0.067 0.000 1.078 690 R CA -0.692 55.444 56.100 0.058 0.000 1.127 690 R CB 0.398 30.745 30.300 0.078 0.000 1.038 690 R HN 0.175 nan 8.270 nan 0.000 0.500 695 D N 4.628 125.140 120.400 0.185 0.000 2.432 695 D HA 0.315 4.958 4.640 0.005 0.000 0.258 695 D C 0.707 176.760 176.300 -0.412 0.000 1.146 695 D CA -0.689 53.331 54.000 0.033 0.000 1.015 695 D CB 1.221 41.994 40.800 -0.044 0.000 1.107 695 D HN 0.338 nan 8.370 nan 0.000 0.529 696 L N 0.033 120.626 121.223 -1.050 0.000 2.072 696 L HA 0.128 4.472 4.340 0.005 0.000 0.205 696 L C -1.112 175.440 176.870 -0.529 0.000 1.079 696 L CA 1.289 55.414 54.840 -1.193 0.000 0.752 696 L CB -1.504 39.673 42.059 -1.470 0.000 0.906 696 L HN 0.402 nan 8.230 nan 0.000 0.436 697 P HA -0.114 nan 4.420 nan 0.000 0.218 697 P C 1.435 178.651 177.300 -0.140 0.000 1.148 697 P CA 1.696 64.687 63.100 -0.182 0.000 0.822 697 P CB -0.291 31.360 31.700 -0.082 0.000 0.784 698 T N -0.482 113.999 114.554 -0.121 0.000 2.812 698 T HA -0.029 4.324 4.350 0.005 0.000 0.264 698 T C 2.003 176.690 174.700 -0.021 0.000 1.042 698 T CA 1.441 63.518 62.100 -0.038 0.000 1.140 698 T CB -0.853 68.020 68.868 0.008 0.000 0.870 698 T HN 0.058 nan 8.240 nan 0.000 0.445 699 A N 1.458 124.265 122.820 -0.022 0.000 1.883 699 A HA -0.015 4.308 4.320 0.005 0.000 0.217 699 A C 2.307 179.871 177.584 -0.034 0.000 1.186 699 A CA 1.287 53.380 52.037 0.092 0.000 0.624 699 A CB -0.939 18.224 19.000 0.271 0.000 0.822 699 A HN 0.458 nan 8.150 nan 0.000 0.444 700 L N -0.737 120.331 121.223 -0.257 0.000 2.046 700 L HA -0.183 4.161 4.340 0.005 0.000 0.208 700 L C 2.707 179.295 176.870 -0.471 0.000 1.077 700 L CA 1.679 56.159 54.840 -0.601 0.000 0.747 700 L CB -0.418 40.889 42.059 -1.254 0.000 0.896 700 L HN 0.325 nan 8.230 nan 0.000 0.432 701 K N 0.298 120.566 120.400 -0.220 0.000 2.057 701 K HA -0.163 4.161 4.320 0.005 0.000 0.206 701 K C 1.890 178.525 176.600 0.058 0.000 1.050 701 K CA 1.397 57.727 56.287 0.071 0.000 0.935 701 K CB -0.177 32.383 32.500 0.099 0.000 0.715 701 K HN 0.264 nan 8.250 nan 0.000 0.439 702 N N 0.397 119.118 118.700 0.035 0.000 2.069 702 N HA -0.199 4.544 4.740 0.005 0.000 0.191 702 N C 1.717 177.247 175.510 0.033 0.000 1.031 702 N CA 1.206 54.281 53.050 0.042 0.000 0.852 702 N CB -0.679 37.845 38.487 0.061 0.000 1.018 702 N HN 0.284 nan 8.380 nan 0.000 0.423 703 Y N 2.018 122.286 120.300 -0.054 0.000 2.165 703 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 703 Y C 2.676 178.553 175.900 -0.039 0.000 1.155 703 Y CA 2.008 60.078 58.100 -0.049 0.000 1.164 703 Y CB -0.153 38.274 38.460 -0.055 0.000 0.978 703 Y HN 0.021 nan 8.280 nan 0.000 0.513 704 R N 0.457 120.975 120.500 0.029 0.000 2.066 704 R HA -0.236 4.108 4.340 0.005 0.000 0.232 704 R C 2.436 178.641 176.300 -0.158 0.000 1.131 704 R CA 1.856 57.929 56.100 -0.044 0.000 0.955 704 R CB -0.693 29.738 30.300 0.218 0.000 0.851 704 R HN 0.566 nan 8.270 nan 0.000 0.432 705 Q N 0.431 120.189 119.800 -0.070 0.000 2.112 705 Q HA -0.186 4.157 4.340 0.005 0.000 0.206 705 Q C 1.892 177.818 176.000 -0.123 0.000 0.987 705 Q CA 2.503 58.266 55.803 -0.066 0.000 0.858 705 Q CB -0.047 28.686 28.738 -0.009 0.000 0.905 705 Q HN 0.424 nan 8.270 nan 0.000 0.420 706 S N -0.169 115.426 115.700 -0.176 0.000 2.353 706 S HA -0.152 4.321 4.470 0.005 0.000 0.222 706 S C 2.020 176.450 174.600 -0.283 0.000 1.035 706 S CA 1.421 59.501 58.200 -0.201 0.000 1.025 706 S CB -0.449 62.614 63.200 -0.228 0.000 0.902 706 S HN 0.279 nan 8.310 nan 0.000 0.440 707 V N 2.025 121.659 119.914 -0.467 0.000 2.255 707 V HA -0.250 3.873 4.120 0.005 0.000 0.247 707 V C 2.394 178.210 176.094 -0.464 0.000 1.051 707 V CA 1.978 63.932 62.300 -0.577 0.000 1.018 707 V CB -0.810 30.440 31.823 -0.954 0.000 0.641 707 V HN 0.495 nan 8.190 nan 0.000 0.445 708 E N 0.122 120.079 120.200 -0.405 0.000 2.058 708 E HA -0.235 4.119 4.350 0.005 0.000 0.194 708 E C 2.297 178.703 176.600 -0.323 0.000 0.997 708 E CA 1.423 57.579 56.400 -0.407 0.000 0.801 708 E CB -0.406 29.115 29.700 -0.298 0.000 0.746 708 E HN 0.609 nan 8.360 nan 0.000 0.450 709 A N 1.038 123.794 122.820 -0.106 0.000 1.933 709 A HA -0.109 4.214 4.320 0.005 0.000 0.218 709 A C 2.429 180.016 177.584 0.006 0.000 1.175 709 A CA 1.675 53.751 52.037 0.066 0.000 0.628 709 A CB -1.095 17.938 19.000 0.056 0.000 0.814 709 A HN 0.373 nan 8.150 nan 0.000 0.444 710 G N -0.343 108.398 108.800 -0.099 0.000 2.432 710 G HA2 -0.121 3.842 3.960 0.005 0.000 0.219 710 G HA3 -0.121 3.842 3.960 0.005 0.000 0.219 710 G C 1.508 176.340 174.900 -0.113 0.000 1.135 710 G CA 1.007 46.053 45.100 -0.089 0.000 0.767 710 G HN 0.448 nan 8.290 nan 0.000 0.550 711 L N -0.982 120.105 121.223 -0.227 0.000 2.131 711 L HA 0.157 4.501 4.340 0.005 0.000 0.206 711 L C 2.620 179.350 176.870 -0.234 0.000 1.087 711 L CA 0.368 55.035 54.840 -0.289 0.000 0.767 711 L CB -0.352 41.460 42.059 -0.411 0.000 0.917 711 L HN 0.172 nan 8.230 nan 0.000 0.441 712 F N 0.654 120.525 119.950 -0.131 0.000 2.126 712 F HA -0.283 4.245 4.527 0.001 0.000 0.299 712 F C 2.775 178.523 175.800 -0.087 0.000 1.096 712 F CA 1.364 59.303 58.000 -0.103 0.000 1.255 712 F CB -0.130 38.825 39.000 -0.074 0.000 0.997 712 F HN 0.009 nan 8.300 nan 0.000 0.479 713 K N 1.077 121.548 120.400 0.119 0.000 2.026 713 K HA -0.196 4.127 4.320 0.005 0.000 0.208 713 K C 1.926 178.542 176.600 0.028 0.000 1.048 713 K CA 1.704 58.030 56.287 0.066 0.000 0.929 713 K CB -0.303 32.227 32.500 0.049 0.000 0.713 713 K HN 0.269 nan 8.250 nan 0.000 0.439 714 I N 1.363 121.918 120.570 -0.025 0.000 2.233 714 I HA -0.254 3.920 4.170 0.005 0.000 0.243 714 I C 2.201 178.258 176.117 -0.101 0.000 1.093 714 I CA 0.767 62.041 61.300 -0.043 0.000 1.380 714 I CB -0.218 37.745 38.000 -0.061 0.000 1.067 714 I HN 0.191 nan 8.210 nan 0.000 0.413 715 L N 0.631 121.723 121.223 -0.219 0.000 2.127 715 L HA -0.198 4.145 4.340 0.005 0.000 0.211 715 L C 2.771 179.639 176.870 -0.004 0.000 1.089 715 L CA 1.928 56.651 54.840 -0.195 0.000 0.757 715 L CB -1.066 40.878 42.059 -0.192 0.000 0.899 715 L HN 0.415 nan 8.230 nan 0.000 0.434 716 S N -0.509 115.207 115.700 0.027 0.000 2.453 716 S HA -0.134 4.339 4.470 0.005 0.000 0.231 716 S C 1.855 176.494 174.600 0.065 0.000 1.005 716 S CA 0.476 58.707 58.200 0.052 0.000 0.949 716 S CB -0.126 63.106 63.200 0.054 0.000 0.774 716 S HN 0.364 nan 8.310 nan 0.000 0.510 717 K N 0.233 120.680 120.400 0.078 0.000 2.152 717 K HA 0.054 4.377 4.320 0.005 0.000 0.206 717 K C 1.832 178.528 176.600 0.160 0.000 1.048 717 K CA 1.528 57.889 56.287 0.124 0.000 0.933 717 K CB -0.231 32.359 32.500 0.149 0.000 0.721 717 K HN 0.374 nan 8.250 nan 0.000 0.447 718 M N -0.479 119.195 119.600 0.123 0.000 2.495 718 M HA 0.192 4.675 4.480 0.005 0.000 0.237 718 M C 0.489 176.839 176.300 0.083 0.000 1.131 718 M CA 0.498 55.861 55.300 0.105 0.000 1.032 718 M CB 0.481 33.138 32.600 0.096 0.000 1.513 718 M HN 0.268 nan 8.290 nan 0.000 0.488 719 G N 1.322 110.167 108.800 0.074 0.000 2.160 719 G HA2 -0.255 3.708 3.960 0.005 0.000 0.251 719 G HA3 -0.255 3.708 3.960 0.005 0.000 0.251 719 G C 0.076 175.013 174.900 0.061 0.000 1.008 719 G CA 0.444 45.577 45.100 0.053 0.000 0.724 719 G HN 0.523 nan 8.290 nan 0.000 0.514 720 I N 1.023 121.642 120.570 0.081 0.000 2.371 720 I HA 0.261 4.434 4.170 0.005 0.000 0.290 720 I C 1.590 177.760 176.117 0.089 0.000 1.028 720 I CA -0.212 61.148 61.300 0.101 0.000 1.345 720 I CB 1.547 39.638 38.000 0.152 0.000 1.407 720 I HN 0.057 nan 8.210 nan 0.000 0.501 721 S N 5.782 121.538 115.700 0.094 0.000 2.388 721 S HA 0.210 4.683 4.470 0.005 0.000 0.223 721 S C 0.580 175.257 174.600 0.130 0.000 1.034 721 S CA 0.497 58.754 58.200 0.096 0.000 0.963 721 S CB 0.078 63.325 63.200 0.077 0.000 0.827 721 S HN 0.388 nan 8.310 nan 0.000 0.481 722 L N 1.969 123.271 121.223 0.133 0.000 2.307 722 L HA 0.380 4.723 4.340 0.005 0.000 0.284 722 L C 0.824 177.778 176.870 0.140 0.000 1.023 722 L CA -0.421 54.503 54.840 0.141 0.000 0.810 722 L CB 1.430 43.578 42.059 0.148 0.000 1.231 722 L HN 0.113 nan 8.230 nan 0.000 0.423 723 L N 3.728 125.012 121.223 0.101 0.000 2.127 723 L HA -0.193 4.151 4.340 0.005 0.000 0.211 723 L C 2.474 179.461 176.870 0.194 0.000 1.089 723 L CA 2.252 57.155 54.840 0.104 0.000 0.757 723 L CB -0.322 41.736 42.059 -0.001 0.000 0.899 723 L HN 0.839 nan 8.230 nan 0.000 0.434 724 A N -1.668 121.247 122.820 0.158 0.000 1.908 724 A HA -0.237 4.087 4.320 0.005 0.000 0.218 724 A C 2.422 180.135 177.584 0.214 0.000 1.181 724 A CA 2.167 54.306 52.037 0.170 0.000 0.627 724 A CB -0.919 18.160 19.000 0.133 0.000 0.818 724 A HN 0.523 nan 8.150 nan 0.000 0.445 725 S N -2.118 113.701 115.700 0.199 0.000 2.383 725 S HA -0.119 4.354 4.470 0.005 0.000 0.227 725 S C 1.819 176.564 174.600 0.242 0.000 1.026 725 S CA 1.317 59.633 58.200 0.194 0.000 0.981 725 S CB -0.477 62.820 63.200 0.161 0.000 0.818 725 S HN 0.695 nan 8.310 nan 0.000 0.472 726 Y N 1.792 122.168 120.300 0.127 0.000 2.263 726 Y HA -0.154 4.400 4.550 0.006 0.000 0.292 726 Y C 2.357 178.348 175.900 0.151 0.000 1.130 726 Y CA 1.794 59.954 58.100 0.100 0.000 1.179 726 Y CB -0.636 37.870 38.460 0.076 0.000 0.998 726 Y HN 0.339 nan 8.280 nan 0.000 0.532 727 H N -0.427 118.770 119.070 0.211 0.000 2.272 727 H HA -0.226 4.334 4.556 0.007 0.000 0.289 727 H C 2.356 177.773 175.328 0.147 0.000 1.100 727 H CA 2.200 58.352 56.048 0.173 0.000 1.209 727 H CB -0.937 28.958 29.762 0.222 0.000 1.348 727 H HN 0.414 nan 8.280 nan 0.000 0.481 728 G N -0.010 108.935 108.800 0.242 0.000 2.443 728 G HA2 0.067 4.031 3.960 0.005 0.000 0.219 728 G HA3 0.067 4.031 3.960 0.005 0.000 0.219 728 G C 0.726 175.467 174.900 -0.264 0.000 1.131 728 G CA 0.607 45.643 45.100 -0.107 0.000 0.775 728 G HN 0.742 nan 8.290 nan 0.000 0.547 729 A N -0.580 122.104 122.820 -0.227 0.000 2.257 729 A HA 0.693 5.016 4.320 0.005 0.000 0.289 729 A C 0.093 177.467 177.584 -0.350 0.000 1.095 729 A CA -0.445 51.445 52.037 -0.244 0.000 0.836 729 A CB 0.544 19.427 19.000 -0.195 0.000 1.111 729 A HN 0.290 nan 8.150 nan 0.000 0.497 730 Q N 0.926 120.571 119.800 -0.259 0.000 2.943 730 Q HA 0.241 4.585 4.340 0.005 0.000 0.327 730 Q C -0.796 175.153 176.000 -0.084 0.000 0.937 730 Q CA -0.378 55.254 55.803 -0.285 0.000 0.914 730 Q CB 0.688 29.288 28.738 -0.231 0.000 1.339 730 Q HN 0.611 nan 8.270 nan 0.000 0.417 731 I N 1.994 122.371 120.570 -0.321 0.000 2.749 731 I HA 0.060 4.233 4.170 0.005 0.000 0.283 731 I C -0.458 175.251 176.117 -0.679 0.000 0.993 731 I CA 0.995 62.057 61.300 -0.398 0.000 2.393 731 I CB -1.816 35.978 38.000 -0.343 0.000 1.549 731 I HN 0.263 nan 8.210 nan 0.000 1.045 732 F N 0.619 120.619 119.950 0.083 0.000 2.645 732 F HA 0.449 4.979 4.527 0.004 0.000 0.310 732 F C 0.339 176.233 175.800 0.157 0.000 1.102 732 F CA -0.957 57.170 58.000 0.212 0.000 0.952 732 F CB 1.697 40.961 39.000 0.440 0.000 1.326 732 F HN 0.022 nan 8.300 nan 0.000 0.456 733 E N 1.194 121.587 120.200 0.321 0.000 2.199 733 E HA 0.782 5.135 4.350 0.005 0.000 0.269 733 E C -1.446 175.192 176.600 0.063 0.000 0.899 733 E CA -0.886 55.604 56.400 0.150 0.000 0.772 733 E CB 1.828 31.579 29.700 0.085 0.000 1.155 733 E HN 0.751 nan 8.360 nan 0.000 0.408 734 A N 4.910 127.659 122.820 -0.119 0.000 2.305 734 A HA 0.596 4.919 4.320 0.005 0.000 0.322 734 A C -0.655 176.813 177.584 -0.193 0.000 1.187 734 A CA -0.614 51.202 52.037 -0.368 0.000 0.825 734 A CB 0.484 19.039 19.000 -0.743 0.000 1.164 734 A HN 0.648 nan 8.150 nan 0.000 0.498 735 I N 2.137 122.617 120.570 -0.151 0.000 2.420 735 I HA 0.534 4.707 4.170 0.005 0.000 0.282 735 I C 0.923 177.042 176.117 0.004 0.000 1.019 735 I CA 0.190 61.443 61.300 -0.079 0.000 1.130 735 I CB 1.604 39.549 38.000 -0.093 0.000 1.262 735 I HN 1.033 nan 8.210 nan 0.000 0.454 736 G N 5.468 114.272 108.800 0.007 0.000 2.154 736 G HA2 -0.150 3.813 3.960 0.005 0.000 0.186 736 G HA3 -0.150 3.813 3.960 0.005 0.000 0.186 736 G C -0.263 174.642 174.900 0.009 0.000 1.000 736 G CA -0.694 44.454 45.100 0.081 0.000 0.664 736 G HN 0.438 nan 8.290 nan 0.000 0.513 737 L N 1.609 122.785 121.223 -0.078 0.000 2.287 737 L HA 0.634 4.977 4.340 0.005 0.000 0.287 737 L C 1.314 178.142 176.870 -0.070 0.000 1.022 737 L CA -0.518 54.247 54.840 -0.125 0.000 0.814 737 L CB 1.392 43.333 42.059 -0.196 0.000 1.217 737 L HN 0.197 nan 8.230 nan 0.000 0.420 738 G N 1.467 110.233 108.800 -0.056 0.000 2.636 738 G HA2 0.288 4.252 3.960 0.005 0.000 0.246 738 G HA3 0.288 4.252 3.960 0.005 0.000 0.246 738 G C 0.924 175.812 174.900 -0.020 0.000 1.216 738 G CA 0.275 45.353 45.100 -0.037 0.000 0.854 738 G HN 0.827 nan 8.290 nan 0.000 0.572 739 A N 0.295 123.105 122.820 -0.017 0.000 1.898 739 A HA 0.012 4.335 4.320 0.005 0.000 0.216 739 A C 2.147 179.731 177.584 0.001 0.000 1.181 739 A CA 2.011 54.044 52.037 -0.007 0.000 0.620 739 A CB -0.403 18.590 19.000 -0.011 0.000 0.819 739 A HN 0.674 nan 8.150 nan 0.000 0.442 740 E N -0.355 119.840 120.200 -0.009 0.000 2.038 740 E HA -0.201 4.152 4.350 0.005 0.000 0.195 740 E C 1.900 178.511 176.600 0.019 0.000 1.000 740 E CA 1.353 57.750 56.400 -0.004 0.000 0.803 740 E CB -0.382 29.297 29.700 -0.035 0.000 0.750 740 E HN 0.488 nan 8.360 nan 0.000 0.448 741 L N 0.393 121.618 121.223 0.004 0.000 1.989 741 L HA -0.174 4.169 4.340 0.005 0.000 0.211 741 L C 2.177 179.106 176.870 0.098 0.000 1.071 741 L CA 1.541 56.399 54.840 0.031 0.000 0.749 741 L CB -0.660 41.413 42.059 0.023 0.000 0.890 741 L HN 0.042 nan 8.230 nan 0.000 0.431 742 V N -0.153 119.839 119.914 0.130 0.000 2.282 742 V HA -0.297 3.827 4.120 0.005 0.000 0.249 742 V C 2.683 178.823 176.094 0.077 0.000 1.057 742 V CA 2.017 64.433 62.300 0.194 0.000 1.032 742 V CB -0.647 31.238 31.823 0.104 0.000 0.645 742 V HN 0.565 nan 8.190 nan 0.000 0.447 743 E N -1.128 119.085 120.200 0.021 0.000 2.268 743 E HA -0.192 4.161 4.350 0.005 0.000 0.195 743 E C 1.841 178.398 176.600 -0.072 0.000 0.995 743 E CA 1.092 57.464 56.400 -0.045 0.000 0.836 743 E CB -0.315 29.370 29.700 -0.025 0.000 0.763 743 E HN 0.706 nan 8.360 nan 0.000 0.491 744 Y N -0.542 119.676 120.300 -0.137 0.000 2.153 744 Y HA 0.105 4.658 4.550 0.005 0.000 0.289 744 Y C 1.976 177.770 175.900 -0.176 0.000 1.119 744 Y CA 1.935 59.963 58.100 -0.120 0.000 1.116 744 Y CB -0.194 38.212 38.460 -0.089 0.000 1.004 744 Y HN 0.087 nan 8.280 nan 0.000 0.501 745 A N -2.331 120.322 122.820 -0.279 0.000 2.229 745 A HA 0.245 4.568 4.320 0.005 0.000 0.211 745 A C 0.599 177.848 177.584 -0.558 0.000 1.193 745 A CA 0.021 51.696 52.037 -0.605 0.000 0.879 745 A CB -0.383 17.930 19.000 -1.146 0.000 0.911 745 A HN 0.433 nan 8.150 nan 0.000 0.492 746 F N -0.035 119.917 119.950 0.003 0.000 2.815 746 F HA 0.495 5.025 4.527 0.005 0.000 0.335 746 F C 1.060 176.863 175.800 0.006 0.000 1.179 746 F CA -0.510 57.529 58.000 0.065 0.000 1.204 746 F CB 0.311 39.295 39.000 -0.025 0.000 1.050 746 F HN 0.147 nan 8.300 nan 0.000 0.510 747 A N 0.641 123.262 122.820 -0.331 0.000 2.603 747 A HA 0.313 4.636 4.320 0.005 0.000 0.235 747 A C 1.598 179.141 177.584 -0.068 0.000 1.035 747 A CA 1.329 53.172 52.037 -0.322 0.000 0.755 747 A CB -0.603 18.027 19.000 -0.618 0.000 0.954 747 A HN 1.232 nan 8.150 nan 0.000 0.511 748 G N 1.778 110.573 108.800 -0.009 0.000 2.225 748 G HA2 -0.225 3.739 3.960 0.005 0.000 0.254 748 G HA3 -0.225 3.739 3.960 0.005 0.000 0.254 748 G C 0.497 175.456 174.900 0.098 0.000 0.988 748 G CA 0.618 45.742 45.100 0.039 0.000 0.625 748 G HN 1.349 nan 8.290 nan 0.000 0.527 749 T N 2.192 116.852 114.554 0.176 0.000 2.870 749 T HA 0.473 4.826 4.350 0.005 0.000 0.300 749 T C 0.950 175.704 174.700 0.090 0.000 0.989 749 T CA 0.762 62.978 62.100 0.195 0.000 1.139 749 T CB 1.298 70.340 68.868 0.291 0.000 0.920 749 T HN 0.950 nan 8.240 nan 0.000 0.537 750 T N 0.500 115.093 114.554 0.065 0.000 2.913 750 T HA 0.445 4.799 4.350 0.005 0.000 0.297 750 T C 0.027 174.722 174.700 -0.009 0.000 1.029 750 T CA -0.663 61.450 62.100 0.022 0.000 1.104 750 T CB 0.992 69.868 68.868 0.013 0.000 0.964 750 T HN 0.449 nan 8.240 nan 0.000 0.532 751 S N 2.055 117.741 115.700 -0.024 0.000 2.511 751 S HA 0.360 4.833 4.470 0.005 0.000 0.233 751 S C 0.551 175.129 174.600 -0.036 0.000 1.104 751 S CA -0.854 57.314 58.200 -0.053 0.000 1.129 751 S CB 0.542 63.699 63.200 -0.071 0.000 1.159 751 S HN 0.815 nan 8.310 nan 0.000 0.451 752 R N 2.515 122.995 120.500 -0.034 0.000 2.280 752 R HA 0.255 4.598 4.340 0.005 0.000 0.195 752 R C 0.821 177.106 176.300 -0.025 0.000 0.935 752 R CA 0.363 56.449 56.100 -0.024 0.000 1.033 752 R CB 0.471 30.759 30.300 -0.020 0.000 0.964 752 R HN 0.410 nan 8.270 nan 0.000 0.489 753 V N 0.015 119.910 119.914 -0.032 0.000 3.252 753 V HA 0.229 4.352 4.120 0.005 0.000 0.320 753 V C 0.156 176.235 176.094 -0.025 0.000 1.459 753 V CA 0.420 62.702 62.300 -0.029 0.000 1.095 753 V CB 0.903 32.704 31.823 -0.037 0.000 0.997 753 V HN 0.504 nan 8.190 nan 0.000 0.469 754 G N 0.992 109.776 108.800 -0.027 0.000 2.359 754 G HA2 -0.203 3.761 3.960 0.005 0.000 0.298 754 G HA3 -0.203 3.761 3.960 0.005 0.000 0.298 754 G C 0.681 175.566 174.900 -0.025 0.000 1.030 754 G CA 0.564 45.649 45.100 -0.025 0.000 1.149 754 G HN 0.850 nan 8.290 nan 0.000 0.512 755 G N -0.277 108.506 108.800 -0.029 0.000 3.197 755 G HA2 0.481 4.444 3.960 0.005 0.000 0.167 755 G HA3 0.481 4.444 3.960 0.005 0.000 0.167 755 G C 0.545 175.418 174.900 -0.045 0.000 1.914 755 G CA -0.287 44.799 45.100 -0.023 0.000 0.956 755 G HN 0.597 nan 8.290 nan 0.000 0.480 756 L N 1.614 122.788 121.223 -0.081 0.000 2.485 756 L HA 0.267 4.611 4.340 0.005 0.000 0.275 756 L C 1.428 178.243 176.870 -0.092 0.000 1.207 756 L CA -0.239 54.537 54.840 -0.106 0.000 0.855 756 L CB 0.455 42.390 42.059 -0.206 0.000 1.114 756 L HN 0.603 nan 8.230 nan 0.000 0.485 757 T N -0.666 113.839 114.554 -0.081 0.000 2.847 757 T HA 0.432 4.786 4.350 0.005 0.000 0.279 757 T C 1.587 176.226 174.700 -0.101 0.000 0.984 757 T CA -0.657 61.393 62.100 -0.084 0.000 0.988 757 T CB 0.601 69.424 68.868 -0.075 0.000 1.040 757 T HN 0.383 nan 8.240 nan 0.000 0.528 758 I N 0.982 121.480 120.570 -0.121 0.000 2.248 758 I HA -0.181 3.992 4.170 0.005 0.000 0.248 758 I C 2.917 178.962 176.117 -0.120 0.000 1.107 758 I CA 1.754 62.970 61.300 -0.141 0.000 1.373 758 I CB -0.725 37.149 38.000 -0.211 0.000 1.055 758 I HN 0.874 nan 8.210 nan 0.000 0.418 759 A N 0.170 122.925 122.820 -0.108 0.000 1.969 759 A HA -0.201 4.122 4.320 0.005 0.000 0.218 759 A C 1.972 179.513 177.584 -0.072 0.000 1.169 759 A CA 1.747 53.731 52.037 -0.088 0.000 0.635 759 A CB -0.458 18.495 19.000 -0.077 0.000 0.810 759 A HN 0.365 nan 8.150 nan 0.000 0.445 760 D N -0.308 120.048 120.400 -0.073 0.000 2.144 760 D HA -0.120 4.523 4.640 0.005 0.000 0.200 760 D C 2.085 178.345 176.300 -0.067 0.000 0.978 760 D CA 1.588 55.551 54.000 -0.063 0.000 0.833 760 D CB -0.407 40.355 40.800 -0.064 0.000 0.961 760 D HN 0.355 nan 8.370 nan 0.000 0.470 761 V N 0.829 120.689 119.914 -0.091 0.000 2.515 761 V HA -0.119 4.004 4.120 0.005 0.000 0.250 761 V C 2.144 178.202 176.094 -0.059 0.000 1.058 761 V CA 1.978 64.226 62.300 -0.086 0.000 1.064 761 V CB -0.326 31.434 31.823 -0.104 0.000 0.675 761 V HN 0.115 nan 8.190 nan 0.000 0.461 762 A N 0.689 123.471 122.820 -0.064 0.000 1.898 762 A HA 0.049 4.373 4.320 0.005 0.000 0.216 762 A C 2.432 179.987 177.584 -0.047 0.000 1.181 762 A CA 1.757 53.760 52.037 -0.057 0.000 0.620 762 A CB -1.561 17.409 19.000 -0.050 0.000 0.819 762 A HN 0.738 nan 8.150 nan 0.000 0.442 763 G N -0.670 108.108 108.800 -0.038 0.000 2.442 763 G HA2 -0.235 3.728 3.960 0.005 0.000 0.219 763 G HA3 -0.235 3.728 3.960 0.005 0.000 0.219 763 G C 1.488 176.382 174.900 -0.009 0.000 1.141 763 G CA 1.016 46.100 45.100 -0.026 0.000 0.763 763 G HN 0.618 nan 8.290 nan 0.000 0.554 764 E N -0.282 119.920 120.200 0.004 0.000 2.072 764 E HA -0.082 4.272 4.350 0.005 0.000 0.190 764 E C 2.747 179.408 176.600 0.101 0.000 0.982 764 E CA 1.102 57.528 56.400 0.043 0.000 0.803 764 E CB -0.209 29.542 29.700 0.084 0.000 0.755 764 E HN 0.317 nan 8.360 nan 0.000 0.453 765 V N 0.699 120.648 119.914 0.058 0.000 2.594 765 V HA -0.216 3.908 4.120 0.005 0.000 0.253 765 V C 1.915 178.064 176.094 0.091 0.000 1.069 765 V CA 1.322 63.656 62.300 0.057 0.000 1.082 765 V CB -0.220 31.445 31.823 -0.263 0.000 0.680 765 V HN 0.214 nan 8.190 nan 0.000 0.469 766 M N -0.395 119.220 119.600 0.025 0.000 2.319 766 M HA -0.008 4.475 4.480 0.005 0.000 0.265 766 M C 2.160 178.527 176.300 0.111 0.000 1.068 766 M CA 1.371 56.692 55.300 0.035 0.000 1.118 766 M CB -1.073 31.499 32.600 -0.046 0.000 1.395 766 M HN 0.386 nan 8.290 nan 0.000 0.435 767 V N -0.203 119.743 119.914 0.054 0.000 2.295 767 V HA -0.265 3.858 4.120 0.005 0.000 0.246 767 V C 2.178 178.287 176.094 0.025 0.000 1.049 767 V CA 1.771 64.064 62.300 -0.011 0.000 1.024 767 V CB -0.825 30.918 31.823 -0.133 0.000 0.648 767 V HN 0.236 nan 8.190 nan 0.000 0.447 768 F N -0.210 119.832 119.950 0.154 0.000 2.134 768 F HA -0.207 4.325 4.527 0.007 0.000 0.299 768 F C 2.519 178.414 175.800 0.158 0.000 1.097 768 F CA 2.110 60.214 58.000 0.173 0.000 1.264 768 F CB -0.550 38.575 39.000 0.208 0.000 1.001 768 F HN 0.231 nan 8.300 nan 0.000 0.479 769 H N -0.268 118.972 119.070 0.283 0.000 2.390 769 H HA -0.149 4.411 4.556 0.005 0.000 0.298 769 H C 2.399 177.869 175.328 0.236 0.000 1.106 769 H CA 1.646 57.859 56.048 0.274 0.000 1.297 769 H CB -0.562 29.328 29.762 0.214 0.000 1.375 769 H HN 0.237 nan 8.280 nan 0.000 0.509 770 G N -0.153 108.831 108.800 0.307 0.000 2.408 770 G HA2 -0.238 3.725 3.960 0.005 0.000 0.217 770 G HA3 -0.238 3.725 3.960 0.005 0.000 0.217 770 G C 1.603 176.561 174.900 0.098 0.000 1.150 770 G CA 0.919 46.139 45.100 0.200 0.000 0.776 770 G HN 0.411 nan 8.290 nan 0.000 0.542 771 M N 0.700 120.354 119.600 0.090 0.000 2.229 771 M HA 0.139 4.622 4.480 0.005 0.000 0.264 771 M C 2.868 179.139 176.300 -0.049 0.000 1.063 771 M CA 1.280 56.612 55.300 0.053 0.000 1.114 771 M CB 0.016 32.695 32.600 0.132 0.000 1.387 771 M HN 0.290 nan 8.290 nan 0.000 0.420 772 A N -0.267 122.448 122.820 -0.175 0.000 1.935 772 A HA 0.186 4.509 4.320 0.005 0.000 0.214 772 A C 0.710 177.880 177.584 -0.690 0.000 1.178 772 A CA 0.723 52.438 52.037 -0.537 0.000 0.640 772 A CB -0.042 18.437 19.000 -0.867 0.000 0.825 772 A HN 0.329 nan 8.150 nan 0.000 0.447 779 K N 1.237 121.609 120.400 -0.045 0.000 2.509 779 K HA 0.382 4.706 4.320 0.005 0.000 0.266 779 K C -0.869 175.702 176.600 -0.050 0.000 0.987 779 K CA -0.798 55.462 56.287 -0.045 0.000 0.868 779 K CB 1.588 34.061 32.500 -0.044 0.000 1.421 779 K HN 0.113 nan 8.250 nan 0.000 0.444 780 L N 1.351 122.548 121.223 -0.043 0.000 2.483 780 L HA 0.120 4.464 4.340 0.005 0.000 0.276 780 L C 0.728 177.553 176.870 -0.075 0.000 1.213 780 L CA -0.056 54.766 54.840 -0.030 0.000 0.843 780 L CB 0.172 42.229 42.059 -0.003 0.000 1.107 780 L HN 0.728 nan 8.230 nan 0.000 0.487 781 E N 2.112 122.248 120.200 -0.107 0.000 2.338 781 E HA 0.011 4.364 4.350 0.005 0.000 0.272 781 E C -0.516 175.839 176.600 -0.410 0.000 1.029 781 E CA -0.478 55.742 56.400 -0.300 0.000 0.872 781 E CB 0.671 30.110 29.700 -0.435 0.000 1.015 781 E HN 0.409 nan 8.360 nan 0.000 0.417 782 N N 4.233 122.666 118.700 -0.445 0.000 2.425 782 N HA 0.190 4.933 4.740 0.005 0.000 0.268 782 N C -1.585 173.610 175.510 -0.525 0.000 0.991 782 N CA -0.258 52.584 53.050 -0.346 0.000 0.931 782 N CB 0.338 38.712 38.487 -0.187 0.000 1.130 782 N HN 0.313 nan 8.380 nan 0.000 0.493 783 F N 0.002 119.791 119.950 -0.269 0.000 2.408 783 F HA 0.403 4.933 4.527 0.005 0.000 0.325 783 F C 1.900 177.426 175.800 -0.456 0.000 1.082 783 F CA -0.901 56.783 58.000 -0.527 0.000 1.032 783 F CB 1.226 39.561 39.000 -1.108 0.000 1.259 783 F HN 0.535 nan 8.300 nan 0.000 0.503 784 G N 0.543 109.243 108.800 -0.166 0.000 3.374 784 G HA2 0.030 3.993 3.960 0.005 0.000 0.252 784 G HA3 0.030 3.993 3.960 0.005 0.000 0.252 784 G C 0.927 175.978 174.900 0.252 0.000 1.326 784 G CA -0.101 45.003 45.100 0.006 0.000 1.133 784 G HN 0.607 nan 8.290 nan 0.000 0.528 785 F N -0.429 119.670 119.950 0.248 0.000 2.069 785 F HA -0.154 4.376 4.527 0.005 0.000 0.298 785 F C 2.515 178.459 175.800 0.240 0.000 1.113 785 F CA 0.712 58.826 58.000 0.189 0.000 1.214 785 F CB 0.005 39.089 39.000 0.140 0.000 0.978 785 F HN 0.127 nan 8.300 nan 0.000 0.474 786 V N -1.443 118.667 119.914 0.327 0.000 2.492 786 V HA -0.025 4.098 4.120 0.005 0.000 0.241 786 V C 0.470 176.671 176.094 0.178 0.000 1.041 786 V CA 0.899 63.279 62.300 0.134 0.000 1.057 786 V CB -0.284 31.441 31.823 -0.163 0.000 0.711 786 V HN 0.167 nan 8.190 nan 0.000 0.468 787 N N -0.791 117.971 118.700 0.104 0.000 2.319 787 N HA 0.283 5.026 4.740 0.005 0.000 0.305 787 N C -1.033 174.419 175.510 -0.097 0.000 1.103 787 N CA -0.499 52.567 53.050 0.027 0.000 0.815 787 N CB 1.819 40.354 38.487 0.079 0.000 1.288 787 N HN 0.304 nan 8.380 nan 0.000 0.493 788 Y N 1.749 121.826 120.300 -0.371 0.000 2.712 788 Y HA 0.042 4.596 4.550 0.005 0.000 0.333 788 Y C -0.045 175.808 175.900 -0.078 0.000 1.225 788 Y CA 0.516 58.452 58.100 -0.273 0.000 1.499 788 Y CB 0.493 38.802 38.460 -0.252 0.000 1.288 788 Y HN 0.308 nan 8.280 nan 0.000 0.575 789 R N 5.706 125.682 120.500 -0.874 0.000 2.837 789 R HA 0.262 4.605 4.340 0.005 0.000 0.271 789 R C -2.125 173.524 176.300 -1.084 0.000 0.993 789 R CA -1.892 53.709 56.100 -0.832 0.000 0.931 789 R CB 1.778 31.862 30.300 -0.360 0.000 1.206 789 R HN 0.418 nan 8.270 nan 0.000 0.474 790 P HA -0.044 nan 4.420 nan 0.000 0.218 790 P C 1.197 178.395 177.300 -0.169 0.000 1.152 790 P CA 0.946 63.870 63.100 -0.295 0.000 0.826 790 P CB 0.184 31.813 31.700 -0.119 0.000 0.790 791 G N -0.301 108.403 108.800 -0.161 0.000 2.448 791 G HA2 -0.063 3.900 3.960 0.005 0.000 0.219 791 G HA3 -0.063 3.900 3.960 0.005 0.000 0.219 791 G C 0.980 175.839 174.900 -0.069 0.000 1.127 791 G CA 0.703 45.741 45.100 -0.103 0.000 0.766 791 G HN 0.450 nan 8.290 nan 0.000 0.552 792 G N -0.399 108.328 108.800 -0.121 0.000 2.563 792 G HA2 0.419 4.382 3.960 0.005 0.000 0.283 792 G HA3 0.419 4.382 3.960 0.005 0.000 0.283 792 G C -0.201 174.724 174.900 0.041 0.000 1.309 792 G CA -0.256 44.813 45.100 -0.052 0.000 1.022 792 G HN 0.307 nan 8.290 nan 0.000 0.501 793 E N -1.466 118.758 120.200 0.039 0.000 2.436 793 E HA 0.060 4.413 4.350 0.005 0.000 0.262 793 E C -0.574 176.106 176.600 0.134 0.000 1.063 793 E CA -0.269 56.181 56.400 0.084 0.000 0.944 793 E CB 0.221 29.977 29.700 0.092 0.000 0.950 793 E HN 0.337 nan 8.360 nan 0.000 0.444 794 Y N 3.716 124.032 120.300 0.026 0.000 2.497 794 Y HA 0.113 4.666 4.550 0.006 0.000 0.334 794 Y C -0.342 175.530 175.900 -0.046 0.000 1.199 794 Y CA 0.540 58.669 58.100 0.049 0.000 1.425 794 Y CB 0.453 38.927 38.460 0.023 0.000 1.291 794 Y HN 0.489 nan 8.280 nan 0.000 0.562 795 H N 6.996 125.652 119.070 -0.691 0.000 2.589 795 H HA 0.173 4.733 4.556 0.005 0.000 0.351 795 H C 0.288 175.139 175.328 -0.794 0.000 1.074 795 H CA -0.567 55.214 56.048 -0.445 0.000 1.203 795 H CB 2.190 31.872 29.762 -0.133 0.000 1.558 795 H HN 0.850 nan 8.280 nan 0.000 0.522 796 M N 1.564 121.055 119.600 -0.182 0.000 2.254 796 M HA -0.035 4.448 4.480 0.005 0.000 0.265 796 M C 0.172 176.489 176.300 0.028 0.000 1.066 796 M CA 1.066 56.374 55.300 0.013 0.000 1.123 796 M CB 0.246 32.962 32.600 0.193 0.000 1.388 796 M HN 0.336 nan 8.290 nan 0.000 0.425 797 N N 1.335 120.059 118.700 0.039 0.000 2.767 797 N HA 0.167 4.910 4.740 0.005 0.000 0.238 797 N C -1.111 174.367 175.510 -0.053 0.000 1.083 797 N CA -0.007 53.059 53.050 0.027 0.000 0.964 797 N CB 0.528 39.041 38.487 0.044 0.000 1.252 797 N HN 0.169 nan 8.380 nan 0.000 0.512 798 S N 0.616 116.249 115.700 -0.112 0.000 2.549 798 S HA 0.462 4.935 4.470 0.005 0.000 0.297 798 S C -1.784 172.672 174.600 -0.240 0.000 1.115 798 S CA -1.359 56.670 58.200 -0.286 0.000 1.059 798 S CB 2.370 65.283 63.200 -0.478 0.000 1.046 798 S HN 0.056 nan 8.310 nan 0.000 0.506 799 P HA -0.252 nan 4.420 nan 0.000 0.218 799 P C 1.496 178.729 177.300 -0.112 0.000 1.152 799 P CA 1.585 64.573 63.100 -0.187 0.000 0.857 799 P CB 0.015 31.597 31.700 -0.196 0.000 0.787 800 E N -0.758 119.364 120.200 -0.131 0.000 2.158 800 E HA -0.134 4.219 4.350 0.005 0.000 0.191 800 E C 1.971 178.697 176.600 0.210 0.000 0.982 800 E CA 0.836 57.274 56.400 0.064 0.000 0.823 800 E CB -1.222 28.558 29.700 0.133 0.000 0.766 800 E HN 0.258 nan 8.360 nan 0.000 0.468 801 M N 1.623 121.352 119.600 0.216 0.000 2.159 801 M HA -0.115 4.368 4.480 0.005 0.000 0.263 801 M C 1.849 178.278 176.300 0.215 0.000 1.063 801 M CA 1.480 56.970 55.300 0.318 0.000 1.110 801 M CB -0.226 32.529 32.600 0.259 0.000 1.374 801 M HN -0.008 nan 8.290 nan 0.000 0.411 802 S N 0.965 116.724 115.700 0.099 0.000 2.368 802 S HA -0.114 4.359 4.470 0.005 0.000 0.225 802 S C 1.836 176.462 174.600 0.042 0.000 1.030 802 S CA 1.295 59.515 58.200 0.035 0.000 0.999 802 S CB -0.164 63.020 63.200 -0.026 0.000 0.844 802 S HN 0.505 nan 8.310 nan 0.000 0.459 803 K N 1.282 121.715 120.400 0.055 0.000 1.985 803 K HA -0.086 4.237 4.320 0.005 0.000 0.210 803 K C 2.655 179.312 176.600 0.096 0.000 1.047 803 K CA 1.638 57.969 56.287 0.073 0.000 0.932 803 K CB -0.402 32.134 32.500 0.059 0.000 0.716 803 K HN 0.478 nan 8.250 nan 0.000 0.439 804 S N 1.461 117.205 115.700 0.074 0.000 2.400 804 S HA -0.161 4.312 4.470 0.005 0.000 0.232 804 S C 1.998 176.625 174.600 0.045 0.000 1.025 804 S CA 1.055 59.288 58.200 0.054 0.000 0.993 804 S CB -0.364 62.798 63.200 -0.064 0.000 0.808 804 S HN 0.239 nan 8.310 nan 0.000 0.478 805 L N 1.242 122.459 121.223 -0.010 0.000 2.141 805 L HA 0.088 4.431 4.340 0.005 0.000 0.209 805 L C 2.314 179.170 176.870 -0.022 0.000 1.094 805 L CA 1.898 56.633 54.840 -0.174 0.000 0.763 805 L CB -0.890 40.886 42.059 -0.471 0.000 0.908 805 L HN 0.407 nan 8.230 nan 0.000 0.437 806 H N -0.600 118.427 119.070 -0.072 0.000 2.495 806 H HA -0.030 4.529 4.556 0.006 0.000 0.287 806 H C 2.102 177.407 175.328 -0.037 0.000 1.033 806 H CA 1.541 57.551 56.048 -0.064 0.000 1.307 806 H CB 0.229 29.952 29.762 -0.065 0.000 1.401 806 H HN 0.304 nan 8.280 nan 0.000 0.555 807 K N -0.857 119.524 120.400 -0.032 0.000 2.186 807 K HA 0.119 4.443 4.320 0.005 0.000 0.202 807 K C 2.121 178.618 176.600 -0.171 0.000 1.052 807 K CA 0.646 56.879 56.287 -0.091 0.000 0.965 807 K CB 0.249 32.829 32.500 0.133 0.000 0.746 807 K HN 0.270 nan 8.250 nan 0.000 0.457 808 A N 0.576 123.376 122.820 -0.032 0.000 1.930 808 A HA -0.048 4.275 4.320 0.005 0.000 0.215 808 A C 2.118 179.795 177.584 0.155 0.000 1.176 808 A CA 0.824 52.878 52.037 0.028 0.000 0.632 808 A CB -0.291 18.740 19.000 0.052 0.000 0.819 808 A HN 0.064 nan 8.150 nan 0.000 0.445 809 V N -0.219 119.778 119.914 0.139 0.000 2.667 809 V HA -0.144 3.979 4.120 0.005 0.000 0.252 809 V C 2.837 178.930 176.094 -0.002 0.000 1.065 809 V CA 1.579 63.968 62.300 0.148 0.000 1.083 809 V CB -0.519 31.359 31.823 0.093 0.000 0.692 809 V HN 0.583 nan 8.190 nan 0.000 0.468 810 A N -0.515 122.235 122.820 -0.117 0.000 2.119 810 A HA 0.245 4.568 4.320 0.005 0.000 0.217 810 A C 1.805 179.335 177.584 -0.091 0.000 1.153 810 A CA 1.270 53.205 52.037 -0.170 0.000 0.692 810 A CB -0.222 18.623 19.000 -0.257 0.000 0.799 810 A HN 0.591 nan 8.150 nan 0.000 0.458 811 A N -1.783 121.008 122.820 -0.048 0.000 2.793 811 A HA 0.552 4.876 4.320 0.005 0.000 0.301 811 A C 0.037 177.707 177.584 0.143 0.000 1.172 811 A CA -0.443 51.595 52.037 0.001 0.000 0.973 811 A CB -0.295 18.665 19.000 -0.067 0.000 1.164 811 A HN 1.066 nan 8.150 nan 0.000 0.542 826 H N 1.487 120.551 119.070 -0.009 0.000 2.491 826 H HA -0.094 4.465 4.556 0.005 0.000 0.290 826 H C 0.840 176.136 175.328 -0.052 0.000 1.050 826 H CA 0.674 56.700 56.048 -0.036 0.000 1.309 826 H CB 0.462 30.213 29.762 -0.019 0.000 1.392 826 H HN 0.402 nan 8.280 nan 0.000 0.554 827 Y N 2.027 122.263 120.300 -0.106 0.000 2.571 827 Y HA -0.109 4.445 4.550 0.005 0.000 0.294 827 Y C 1.977 177.827 175.900 -0.084 0.000 1.141 827 Y CA 0.613 58.569 58.100 -0.240 0.000 1.308 827 Y CB 0.126 38.160 38.460 -0.710 0.000 1.002 827 Y HN 0.153 nan 8.280 nan 0.000 0.551 828 E N -0.137 120.028 120.200 -0.059 0.000 2.006 828 E HA -0.187 4.167 4.350 0.005 0.000 0.192 828 E C 2.166 178.647 176.600 -0.199 0.000 0.993 828 E CA 1.512 57.845 56.400 -0.111 0.000 0.808 828 E CB -0.353 29.311 29.700 -0.061 0.000 0.764 828 E HN 0.382 nan 8.360 nan 0.000 0.449 829 L N 0.331 121.410 121.223 -0.239 0.000 2.051 829 L HA -0.259 4.084 4.340 0.005 0.000 0.214 829 L C 2.590 179.148 176.870 -0.520 0.000 1.076 829 L CA 1.591 56.169 54.840 -0.437 0.000 0.758 829 L CB -0.582 41.145 42.059 -0.553 0.000 0.890 829 L HN 0.325 nan 8.230 nan 0.000 0.433 830 Y N 0.721 120.743 120.300 -0.463 0.000 2.242 830 Y HA -0.252 4.301 4.550 0.005 0.000 0.291 830 Y C 2.724 178.434 175.900 -0.318 0.000 1.137 830 Y CA 1.466 59.343 58.100 -0.371 0.000 1.181 830 Y CB -0.172 38.084 38.460 -0.340 0.000 0.989 830 Y HN -0.065 nan 8.280 nan 0.000 0.527 831 R N 0.734 120.894 120.500 -0.566 0.000 2.075 831 R HA -0.091 4.252 4.340 0.005 0.000 0.232 831 R C 2.257 178.352 176.300 -0.341 0.000 1.126 831 R CA 2.024 57.786 56.100 -0.564 0.000 0.963 831 R CB -0.507 29.562 30.300 -0.385 0.000 0.858 831 R HN 0.551 nan 8.270 nan 0.000 0.435 832 Q N -1.474 118.190 119.800 -0.228 0.000 2.123 832 Q HA -0.097 4.246 4.340 0.005 0.000 0.199 832 Q C 1.838 177.860 176.000 0.037 0.000 0.966 832 Q CA 1.357 57.101 55.803 -0.099 0.000 0.845 832 Q CB -0.102 28.600 28.738 -0.061 0.000 0.907 832 Q HN 0.519 nan 8.270 nan 0.000 0.439 833 Y N 0.412 120.630 120.300 -0.137 0.000 2.207 833 Y HA -0.261 4.292 4.550 0.006 0.000 0.287 833 Y C 2.131 177.986 175.900 -0.075 0.000 1.156 833 Y CA 0.338 58.396 58.100 -0.070 0.000 1.182 833 Y CB 0.053 38.485 38.460 -0.048 0.000 0.979 833 Y HN 0.155 nan 8.280 nan 0.000 0.521 834 L N -0.268 120.922 121.223 -0.054 0.000 2.217 834 L HA -0.189 4.155 4.340 0.005 0.000 0.211 834 L C 2.229 179.001 176.870 -0.165 0.000 1.107 834 L CA 1.201 55.970 54.840 -0.119 0.000 0.783 834 L CB -0.258 41.622 42.059 -0.298 0.000 0.919 834 L HN 0.171 nan 8.230 nan 0.000 0.442 835 K N -0.314 119.979 120.400 -0.178 0.000 2.211 835 K HA -0.049 4.274 4.320 0.005 0.000 0.201 835 K C 0.685 177.183 176.600 -0.171 0.000 1.052 835 K CA 0.603 56.763 56.287 -0.212 0.000 0.973 835 K CB 0.177 32.560 32.500 -0.195 0.000 0.766 835 K HN 0.172 nan 8.250 nan 0.000 0.466 836 D N 1.506 121.842 120.400 -0.106 0.000 2.348 836 D HA -0.055 4.588 4.640 0.005 0.000 0.248 836 D C 0.308 176.505 176.300 -0.172 0.000 1.142 836 D CA 0.330 54.272 54.000 -0.096 0.000 0.904 836 D CB -0.241 40.543 40.800 -0.026 0.000 0.901 836 D HN 0.203 nan 8.370 nan 0.000 0.523 837 R N 1.270 121.598 120.500 -0.287 0.000 2.594 837 R HA 0.307 4.650 4.340 0.005 0.000 0.272 837 R C -2.225 173.815 176.300 -0.434 0.000 1.074 837 R CA -1.124 54.614 56.100 -0.603 0.000 1.105 837 R CB 0.150 30.028 30.300 -0.704 0.000 1.008 837 R HN -0.116 nan 8.270 nan 0.000 0.472 838 P HA -0.000 nan 4.420 nan 0.000 0.276 838 P C -0.321 176.847 177.300 -0.221 0.000 1.252 838 P CA -0.628 62.358 63.100 -0.191 0.000 0.802 838 P CB 0.864 32.538 31.700 -0.044 0.000 1.035 839 V N 1.383 121.224 119.914 -0.122 0.000 2.644 839 V HA -0.044 4.079 4.120 0.005 0.000 0.305 839 V C 0.609 176.626 176.094 -0.128 0.000 1.053 839 V CA 1.688 63.920 62.300 -0.113 0.000 1.186 839 V CB -0.185 31.596 31.823 -0.069 0.000 0.895 839 V HN 0.829 nan 8.190 nan 0.000 0.490 840 T N 5.045 119.554 114.554 -0.075 0.000 3.313 840 T HA 0.496 4.849 4.350 0.005 0.000 0.266 840 T C 0.243 174.944 174.700 0.002 0.000 0.987 840 T CA 0.613 62.699 62.100 -0.023 0.000 1.086 840 T CB 0.466 69.355 68.868 0.035 0.000 1.159 840 T HN 0.971 nan 8.240 nan 0.000 0.450 841 A N 0.353 123.182 122.820 0.014 0.000 2.346 841 A HA 0.786 5.110 4.320 0.005 0.000 0.313 841 A C 0.889 178.450 177.584 -0.038 0.000 1.140 841 A CA -0.547 51.488 52.037 -0.003 0.000 0.826 841 A CB 0.600 19.613 19.000 0.021 0.000 1.332 841 A HN 0.319 nan 8.150 nan 0.000 0.457 842 L N 0.329 121.491 121.223 -0.101 0.000 2.046 842 L HA -0.195 4.148 4.340 0.005 0.000 0.208 842 L C 2.824 179.646 176.870 -0.078 0.000 1.077 842 L CA 1.965 56.741 54.840 -0.106 0.000 0.747 842 L CB -0.461 41.505 42.059 -0.156 0.000 0.896 842 L HN 0.969 nan 8.230 nan 0.000 0.432 843 R N -0.169 120.268 120.500 -0.105 0.000 2.170 843 R HA -0.195 4.149 4.340 0.005 0.000 0.242 843 R C 1.167 177.589 176.300 0.203 0.000 1.145 843 R CA 1.756 57.843 56.100 -0.022 0.000 0.984 843 R CB -0.738 29.514 30.300 -0.079 0.000 0.869 843 R HN 0.347 nan 8.270 nan 0.000 0.455 844 D N 1.268 121.779 120.400 0.186 0.000 2.269 844 D HA -0.046 4.598 4.640 0.005 0.000 0.208 844 D C 1.801 178.143 176.300 0.069 0.000 0.963 844 D CA 0.809 54.899 54.000 0.149 0.000 0.864 844 D CB 0.011 40.827 40.800 0.028 0.000 0.936 844 D HN 0.329 nan 8.370 nan 0.000 0.505 845 L N 0.151 121.396 121.223 0.036 0.000 2.599 845 L HA 0.115 4.458 4.340 0.005 0.000 0.230 845 L C 0.827 177.705 176.870 0.014 0.000 1.141 845 L CA 0.174 55.021 54.840 0.011 0.000 0.877 845 L CB 0.052 42.106 42.059 -0.008 0.000 1.009 845 L HN -0.108 nan 8.230 nan 0.000 0.447 846 L N -0.869 120.373 121.223 0.031 0.000 2.332 846 L HA 0.527 4.870 4.340 0.005 0.000 0.269 846 L C -0.738 176.121 176.870 -0.020 0.000 1.016 846 L CA -0.496 54.340 54.840 -0.006 0.000 0.809 846 L CB 1.780 43.810 42.059 -0.048 0.000 1.280 846 L HN -0.126 nan 8.230 nan 0.000 0.447 847 D N -0.522 119.822 120.400 -0.094 0.000 2.643 847 D HA 0.403 5.046 4.640 0.005 0.000 0.283 847 D C -1.375 174.817 176.300 -0.180 0.000 1.242 847 D CA -0.411 53.477 54.000 -0.186 0.000 0.863 847 D CB 1.641 42.426 40.800 -0.024 0.000 1.382 847 D HN 0.105 nan 8.370 nan 0.000 0.444 848 F N 0.788 120.839 119.950 0.168 0.000 2.371 848 F HA 0.419 4.950 4.527 0.006 0.000 0.329 848 F C 0.879 176.755 175.800 0.127 0.000 1.107 848 F CA -0.661 57.424 58.000 0.143 0.000 1.137 848 F CB 0.873 39.992 39.000 0.199 0.000 1.214 848 F HN 0.109 nan 8.300 nan 0.000 0.536 849 N N 1.529 120.407 118.700 0.298 0.000 2.607 849 N HA 0.433 5.176 4.740 0.005 0.000 0.271 849 N C -1.151 174.433 175.510 0.123 0.000 1.142 849 N CA -0.245 52.911 53.050 0.177 0.000 0.810 849 N CB 0.968 39.532 38.487 0.128 0.000 1.306 849 N HN 0.710 nan 8.380 nan 0.000 0.536 850 A N 1.705 124.557 122.820 0.055 0.000 2.407 850 A HA 0.249 4.572 4.320 0.005 0.000 0.248 850 A C 0.832 178.416 177.584 -0.001 0.000 1.082 850 A CA -0.002 52.024 52.037 -0.019 0.000 0.785 850 A CB 0.322 19.201 19.000 -0.202 0.000 1.020 850 A HN 0.795 nan 8.150 nan 0.000 0.489 851 D N 0.545 120.956 120.400 0.018 0.000 2.380 851 D HA -0.012 4.631 4.640 0.005 0.000 0.212 851 D C 0.304 176.574 176.300 -0.051 0.000 1.021 851 D CA 0.480 54.487 54.000 0.013 0.000 0.884 851 D CB -0.105 40.737 40.800 0.070 0.000 1.001 851 D HN 0.527 nan 8.370 nan 0.000 0.506 852 Q N 1.319 121.033 119.800 -0.144 0.000 2.256 852 Q HA 0.366 4.709 4.340 0.005 0.000 0.232 852 Q C -2.073 173.826 176.000 -0.169 0.000 0.965 852 Q CA -1.529 54.145 55.803 -0.216 0.000 0.908 852 Q CB 0.820 29.293 28.738 -0.442 0.000 1.209 852 Q HN 0.209 nan 8.270 nan 0.000 0.489 853 P HA 0.154 nan 4.420 nan 0.000 0.274 853 P C -1.158 176.067 177.300 -0.126 0.000 1.231 853 P CA -0.270 62.766 63.100 -0.106 0.000 0.790 853 P CB 0.502 32.160 31.700 -0.070 0.000 0.951 854 A N 3.087 125.854 122.820 -0.088 0.000 2.488 854 A HA 0.402 4.725 4.320 0.005 0.000 0.249 854 A C 0.802 178.361 177.584 -0.042 0.000 1.083 854 A CA -0.416 51.585 52.037 -0.059 0.000 0.768 854 A CB -0.801 18.211 19.000 0.019 0.000 1.017 854 A HN 0.583 nan 8.150 nan 0.000 0.496 855 I N -0.091 120.453 120.570 -0.044 0.000 2.918 855 I HA 0.582 4.755 4.170 0.005 0.000 0.316 855 I C 0.525 176.637 176.117 -0.007 0.000 1.001 855 I CA -0.689 60.592 61.300 -0.032 0.000 1.142 855 I CB 1.327 39.300 38.000 -0.044 0.000 1.356 855 I HN 0.401 nan 8.210 nan 0.000 0.524 856 S N 1.433 117.129 115.700 -0.005 0.000 2.572 856 S HA 0.245 4.718 4.470 0.005 0.000 0.279 856 S C 1.024 175.627 174.600 0.005 0.000 1.341 856 S CA -0.528 57.673 58.200 0.003 0.000 1.043 856 S CB 0.749 63.949 63.200 -0.001 0.000 0.887 856 S HN 0.601 nan 8.310 nan 0.000 0.516 857 L N 2.367 123.597 121.223 0.011 0.000 2.265 857 L HA -0.114 4.229 4.340 0.005 0.000 0.215 857 L C 2.164 179.035 176.870 0.002 0.000 1.117 857 L CA 0.997 55.844 54.840 0.011 0.000 0.782 857 L CB -0.253 41.815 42.059 0.015 0.000 0.914 857 L HN 0.703 nan 8.230 nan 0.000 0.441 858 E N -0.075 120.124 120.200 -0.002 0.000 2.208 858 E HA -0.207 4.146 4.350 0.005 0.000 0.193 858 E C 1.532 178.127 176.600 -0.008 0.000 0.988 858 E CA 0.872 57.267 56.400 -0.008 0.000 0.828 858 E CB -0.137 29.558 29.700 -0.008 0.000 0.763 858 E HN 0.639 nan 8.360 nan 0.000 0.478 859 E N 1.118 121.315 120.200 -0.006 0.000 2.358 859 E HA 0.021 4.375 4.350 0.005 0.000 0.195 859 E C 0.420 177.019 176.600 -0.002 0.000 1.010 859 E CA 0.078 56.475 56.400 -0.006 0.000 0.856 859 E CB 0.326 30.021 29.700 -0.008 0.000 0.795 859 E HN -0.045 nan 8.360 nan 0.000 0.504 860 V N 3.389 123.303 119.914 0.002 0.000 2.614 860 V HA -0.044 4.079 4.120 0.005 0.000 0.291 860 V C 0.582 176.674 176.094 -0.002 0.000 1.049 860 V CA -0.465 61.839 62.300 0.007 0.000 1.038 860 V CB 0.843 32.675 31.823 0.014 0.000 0.980 860 V HN 0.254 nan 8.190 nan 0.000 0.481 861 E N 3.821 124.020 120.200 -0.002 0.000 2.534 861 E HA 0.013 4.366 4.350 0.005 0.000 0.264 861 E C 0.391 176.979 176.600 -0.020 0.000 0.981 861 E CA 0.046 56.438 56.400 -0.013 0.000 0.948 861 E CB 0.605 30.297 29.700 -0.014 0.000 0.934 861 E HN 0.789 nan 8.360 nan 0.000 0.459 862 S N 2.500 118.182 115.700 -0.030 0.000 2.576 862 S HA -0.038 4.436 4.470 0.005 0.000 0.272 862 S C 1.238 175.813 174.600 -0.043 0.000 1.352 862 S CA -0.292 57.883 58.200 -0.042 0.000 1.021 862 S CB 1.358 64.530 63.200 -0.047 0.000 0.887 862 S HN 0.502 nan 8.310 nan 0.000 0.542 863 V N 2.409 122.289 119.914 -0.058 0.000 2.392 863 V HA -0.175 3.948 4.120 0.005 0.000 0.249 863 V C 2.591 178.690 176.094 0.008 0.000 1.059 863 V CA 2.495 64.778 62.300 -0.029 0.000 1.051 863 V CB -1.343 30.417 31.823 -0.105 0.000 0.658 863 V HN 0.916 nan 8.190 nan 0.000 0.455 864 E N -0.162 120.033 120.200 -0.007 0.000 2.153 864 E HA -0.180 4.173 4.350 0.005 0.000 0.194 864 E C 2.395 178.976 176.600 -0.032 0.000 0.988 864 E CA 1.431 57.840 56.400 0.015 0.000 0.811 864 E CB -0.379 29.323 29.700 0.003 0.000 0.746 864 E HN 0.542 nan 8.360 nan 0.000 0.466 865 S N -0.456 115.215 115.700 -0.047 0.000 2.406 865 S HA -0.028 4.446 4.470 0.005 0.000 0.228 865 S C 1.836 176.374 174.600 -0.103 0.000 1.020 865 S CA 0.550 58.712 58.200 -0.064 0.000 0.965 865 S CB -0.084 63.087 63.200 -0.048 0.000 0.798 865 S HN 0.181 nan 8.310 nan 0.000 0.488 866 I N 0.752 121.249 120.570 -0.122 0.000 2.277 866 I HA -0.063 4.110 4.170 0.005 0.000 0.243 866 I C 2.265 178.083 176.117 -0.499 0.000 1.094 866 I CA 0.670 61.839 61.300 -0.217 0.000 1.393 866 I CB -0.349 37.568 38.000 -0.138 0.000 1.078 866 I HN 0.139 nan 8.210 nan 0.000 0.417 867 V N 1.120 120.779 119.914 -0.425 0.000 2.546 867 V HA -0.334 3.789 4.120 0.005 0.000 0.254 867 V C 2.269 178.136 176.094 -0.379 0.000 1.076 867 V CA 1.828 63.838 62.300 -0.484 0.000 1.087 867 V CB -0.688 31.083 31.823 -0.087 0.000 0.674 867 V HN 0.380 nan 8.190 nan 0.000 0.470 868 K N -0.585 119.669 120.400 -0.244 0.000 2.442 868 K HA -0.102 4.221 4.320 0.005 0.000 0.199 868 K C 2.001 178.508 176.600 -0.154 0.000 1.044 868 K CA 0.960 57.151 56.287 -0.160 0.000 0.941 868 K CB -0.119 32.316 32.500 -0.109 0.000 0.759 868 K HN 0.428 nan 8.250 nan 0.000 0.472 869 R N -0.799 119.569 120.500 -0.221 0.000 2.334 869 R HA 0.159 4.502 4.340 0.005 0.000 0.216 869 R C -0.219 176.136 176.300 0.092 0.000 0.905 869 R CA -0.164 55.870 56.100 -0.110 0.000 1.064 869 R CB 0.402 30.678 30.300 -0.039 0.000 1.046 869 R HN 0.041 nan 8.270 nan 0.000 0.508 870 F N -0.137 119.842 119.950 0.048 0.000 2.385 870 F HA 0.286 4.817 4.527 0.006 0.000 0.336 870 F C 0.366 176.144 175.800 -0.036 0.000 1.100 870 F CA -1.107 56.944 58.000 0.086 0.000 1.116 870 F CB 1.243 40.135 39.000 -0.180 0.000 1.166 870 F HN -0.107 nan 8.300 nan 0.000 0.511 871 C N 1.478 120.957 119.300 0.299 0.000 2.634 871 C HA 0.241 4.705 4.460 0.005 0.000 0.313 871 C C 1.274 176.384 174.990 0.200 0.000 1.198 871 C CA -0.581 58.519 59.018 0.136 0.000 1.605 871 C CB 1.713 29.502 27.740 0.082 0.000 2.196 871 C HN 0.938 nan 8.230 nan 0.000 0.486 872 T N 0.623 115.241 114.554 0.107 0.000 3.081 872 T HA 0.332 4.685 4.350 0.005 0.000 0.255 872 T C 0.752 175.544 174.700 0.153 0.000 1.113 872 T CA 1.527 63.731 62.100 0.174 0.000 1.082 872 T CB -0.639 68.299 68.868 0.117 0.000 0.939 872 T HN 1.648 nan 8.240 nan 0.000 0.506 873 G N -0.328 108.533 108.800 0.101 0.000 2.862 873 G HA2 0.085 4.048 3.960 0.005 0.000 0.686 873 G HA3 0.085 4.048 3.960 0.005 0.000 0.686 873 G C 0.041 174.981 174.900 0.066 0.000 1.134 873 G CA -0.574 44.577 45.100 0.085 0.000 0.791 873 G HN 0.609 nan 8.290 nan 0.000 0.592 874 G N 1.463 110.302 108.800 0.065 0.000 2.639 874 G HA2 0.567 4.531 3.960 0.005 0.000 0.312 874 G HA3 0.567 4.531 3.960 0.005 0.000 0.312 874 G C 0.513 175.475 174.900 0.104 0.000 0.911 874 G CA -0.412 44.738 45.100 0.082 0.000 1.410 874 G HN 0.753 nan 8.290 nan 0.000 0.469 875 M N 2.726 122.400 119.600 0.124 0.000 2.149 875 M HA 0.257 4.740 4.480 0.005 0.000 0.342 875 M C 0.700 177.140 176.300 0.234 0.000 1.068 875 M CA -0.654 54.731 55.300 0.141 0.000 0.991 875 M CB 1.808 34.473 32.600 0.108 0.000 1.596 875 M HN 0.473 nan 8.290 nan 0.000 0.439 876 S N 2.463 118.252 115.700 0.148 0.000 2.558 876 S HA 0.041 4.515 4.470 0.005 0.000 0.288 876 S C 0.920 175.540 174.600 0.033 0.000 1.318 876 S CA -0.597 57.664 58.200 0.102 0.000 1.056 876 S CB 0.729 63.959 63.200 0.049 0.000 0.853 876 S HN 0.810 nan 8.310 nan 0.000 0.505 877 L N 4.030 125.139 121.223 -0.190 0.000 2.043 877 L HA 0.011 4.355 4.340 0.005 0.000 0.212 877 L C 2.509 179.309 176.870 -0.117 0.000 1.075 877 L CA 2.484 57.135 54.840 -0.316 0.000 0.752 877 L CB -1.229 40.581 42.059 -0.415 0.000 0.891 877 L HN 1.006 nan 8.230 nan 0.000 0.432 878 G N -1.491 107.253 108.800 -0.093 0.000 2.440 878 G HA2 -0.285 3.678 3.960 0.005 0.000 0.218 878 G HA3 -0.285 3.678 3.960 0.005 0.000 0.218 878 G C 1.604 176.483 174.900 -0.034 0.000 1.154 878 G CA 0.759 45.818 45.100 -0.068 0.000 0.767 878 G HN 0.610 nan 8.290 nan 0.000 0.552 879 A N -0.114 122.699 122.820 -0.012 0.000 1.902 879 A HA 0.286 4.610 4.320 0.005 0.000 0.217 879 A C 1.363 178.952 177.584 0.009 0.000 1.181 879 A CA 0.562 52.602 52.037 0.005 0.000 0.623 879 A CB -0.219 18.795 19.000 0.024 0.000 0.818 879 A HN 0.332 nan 8.150 nan 0.000 0.443 880 L N 0.266 121.505 121.223 0.028 0.000 2.375 880 L HA 0.335 4.679 4.340 0.005 0.000 0.268 880 L C 0.747 177.605 176.870 -0.020 0.000 1.058 880 L CA -0.641 54.212 54.840 0.022 0.000 0.803 880 L CB 1.568 43.679 42.059 0.087 0.000 1.212 880 L HN 0.357 nan 8.230 nan 0.000 0.451 881 S N 0.202 115.859 115.700 -0.070 0.000 2.592 881 S HA 0.138 4.612 4.470 0.005 0.000 0.271 881 S C 0.973 175.500 174.600 -0.120 0.000 1.326 881 S CA -0.647 57.480 58.200 -0.122 0.000 1.024 881 S CB 1.023 64.112 63.200 -0.185 0.000 0.921 881 S HN 0.774 nan 8.310 nan 0.000 0.527 882 R N 0.781 121.197 120.500 -0.140 0.000 2.193 882 R HA -0.121 4.222 4.340 0.005 0.000 0.229 882 R C 1.084 177.338 176.300 -0.077 0.000 1.110 882 R CA 1.613 57.656 56.100 -0.095 0.000 0.988 882 R CB -0.534 29.648 30.300 -0.197 0.000 0.871 882 R HN 0.671 nan 8.270 nan 0.000 0.458 883 E N 1.678 121.752 120.200 -0.210 0.000 2.031 883 E HA -0.126 4.227 4.350 0.005 0.000 0.193 883 E C 2.172 178.410 176.600 -0.603 0.000 0.994 883 E CA 1.927 58.133 56.400 -0.324 0.000 0.800 883 E CB -0.331 29.041 29.700 -0.547 0.000 0.752 883 E HN 0.512 nan 8.360 nan 0.000 0.447 884 A N 0.128 122.507 122.820 -0.734 0.000 1.902 884 A HA -0.237 4.086 4.320 0.005 0.000 0.217 884 A C 2.096 179.632 177.584 -0.079 0.000 1.181 884 A CA 2.057 53.826 52.037 -0.447 0.000 0.623 884 A CB -0.815 18.036 19.000 -0.248 0.000 0.818 884 A HN 0.413 nan 8.150 nan 0.000 0.443 885 H N -0.526 118.480 119.070 -0.106 0.000 2.363 885 H HA -0.015 4.544 4.556 0.005 0.000 0.301 885 H C 2.016 177.362 175.328 0.029 0.000 1.074 885 H CA 1.810 57.852 56.048 -0.009 0.000 1.354 885 H CB 0.053 29.818 29.762 0.005 0.000 1.397 885 H HN 0.597 nan 8.280 nan 0.000 0.516 886 E N -0.716 119.587 120.200 0.172 0.000 2.072 886 E HA -0.115 4.239 4.350 0.005 0.000 0.190 886 E C 2.110 178.767 176.600 0.094 0.000 0.982 886 E CA 1.420 57.907 56.400 0.144 0.000 0.803 886 E CB 0.068 29.867 29.700 0.164 0.000 0.755 886 E HN 0.426 nan 8.360 nan 0.000 0.453 887 T N 1.808 116.424 114.554 0.104 0.000 2.699 887 T HA -0.167 4.186 4.350 0.005 0.000 0.268 887 T C 1.919 176.686 174.700 0.112 0.000 1.036 887 T CA 0.986 63.172 62.100 0.145 0.000 1.147 887 T CB -0.228 68.808 68.868 0.280 0.000 0.862 887 T HN 0.093 nan 8.240 nan 0.000 0.446 888 L N 0.710 121.980 121.223 0.079 0.000 2.017 888 L HA -0.100 4.244 4.340 0.005 0.000 0.208 888 L C 3.125 180.013 176.870 0.030 0.000 1.073 888 L CA 1.298 56.174 54.840 0.061 0.000 0.745 888 L CB -0.874 41.195 42.059 0.017 0.000 0.894 888 L HN 0.240 nan 8.230 nan 0.000 0.432 889 A N 0.661 123.478 122.820 -0.005 0.000 1.873 889 A HA -0.237 4.087 4.320 0.005 0.000 0.218 889 A C 2.233 179.832 177.584 0.025 0.000 1.193 889 A CA 1.935 53.976 52.037 0.006 0.000 0.629 889 A CB -0.818 18.200 19.000 0.030 0.000 0.826 889 A HN 0.351 nan 8.150 nan 0.000 0.447 890 I N -0.355 120.240 120.570 0.042 0.000 2.163 890 I HA -0.327 3.847 4.170 0.005 0.000 0.243 890 I C 3.025 179.162 176.117 0.033 0.000 1.085 890 I CA 1.161 62.483 61.300 0.038 0.000 1.347 890 I CB -0.453 37.574 38.000 0.046 0.000 1.044 890 I HN 0.392 nan 8.210 nan 0.000 0.408 891 A N 0.735 123.585 122.820 0.050 0.000 1.859 891 A HA -0.263 4.060 4.320 0.005 0.000 0.217 891 A C 2.284 179.880 177.584 0.021 0.000 1.198 891 A CA 1.929 53.997 52.037 0.053 0.000 0.629 891 A CB -0.568 18.494 19.000 0.103 0.000 0.830 891 A HN 0.305 nan 8.150 nan 0.000 0.446 892 M N 0.259 119.865 119.600 0.010 0.000 2.159 892 M HA -0.103 4.380 4.480 0.005 0.000 0.263 892 M C 1.658 177.932 176.300 -0.045 0.000 1.063 892 M CA 1.159 56.431 55.300 -0.048 0.000 1.110 892 M CB -1.811 30.754 32.600 -0.058 0.000 1.374 892 M HN 0.427 nan 8.290 nan 0.000 0.411 893 N N 0.244 118.932 118.700 -0.020 0.000 2.166 893 N HA -0.103 4.640 4.740 0.005 0.000 0.186 893 N C 1.785 177.286 175.510 -0.016 0.000 1.019 893 N CA 0.982 54.021 53.050 -0.018 0.000 0.856 893 N CB -0.349 38.135 38.487 -0.005 0.000 0.993 893 N HN 0.414 nan 8.380 nan 0.000 0.426 894 R N 0.466 120.962 120.500 -0.008 0.000 2.127 894 R HA 0.014 4.357 4.340 0.005 0.000 0.238 894 R C 1.962 178.259 176.300 -0.006 0.000 1.134 894 R CA 0.672 56.771 56.100 -0.001 0.000 0.975 894 R CB -0.235 30.068 30.300 0.006 0.000 0.865 894 R HN 0.250 nan 8.270 nan 0.000 0.447 895 L N -0.946 120.258 121.223 -0.031 0.000 2.418 895 L HA 0.076 4.419 4.340 0.005 0.000 0.218 895 L C 1.147 177.998 176.870 -0.032 0.000 1.125 895 L CA 0.680 55.495 54.840 -0.043 0.000 0.835 895 L CB 0.119 42.116 42.059 -0.103 0.000 0.953 895 L HN 0.497 nan 8.230 nan 0.000 0.454 896 G N -0.350 108.427 108.800 -0.039 0.000 2.131 896 G HA2 -0.204 3.760 3.960 0.005 0.000 0.223 896 G HA3 -0.204 3.760 3.960 0.005 0.000 0.223 896 G C 0.199 175.061 174.900 -0.063 0.000 0.990 896 G CA 0.155 45.230 45.100 -0.042 0.000 0.671 896 G HN 0.516 nan 8.290 nan 0.000 0.521 897 A N -0.645 122.128 122.820 -0.077 0.000 2.889 897 A HA 0.955 5.279 4.320 0.005 0.000 0.235 897 A C 0.169 177.708 177.584 -0.075 0.000 1.307 897 A CA -0.338 51.644 52.037 -0.092 0.000 0.917 897 A CB 0.990 19.906 19.000 -0.139 0.000 1.546 897 A HN 0.393 nan 8.150 nan 0.000 0.472 898 K N 0.332 120.691 120.400 -0.070 0.000 2.378 898 K HA 0.539 4.862 4.320 0.005 0.000 0.252 898 K C -0.842 175.733 176.600 -0.042 0.000 0.931 898 K CA -0.422 55.834 56.287 -0.052 0.000 0.794 898 K CB 2.049 34.520 32.500 -0.048 0.000 1.181 898 K HN 0.786 nan 8.250 nan 0.000 0.425 899 S N 1.180 116.859 115.700 -0.035 0.000 2.718 899 S HA 0.422 4.895 4.470 0.005 0.000 0.300 899 S C -0.448 174.138 174.600 -0.023 0.000 1.117 899 S CA -0.842 57.341 58.200 -0.028 0.000 1.002 899 S CB 1.364 64.539 63.200 -0.042 0.000 1.092 899 S HN 0.592 nan 8.310 nan 0.000 0.542 900 N N 0.932 119.623 118.700 -0.016 0.000 2.399 900 N HA 0.300 5.043 4.740 0.005 0.000 0.284 900 N C -1.120 174.428 175.510 0.064 0.000 1.025 900 N CA -0.364 52.695 53.050 0.014 0.000 0.885 900 N CB 2.098 40.601 38.487 0.026 0.000 1.339 900 N HN 0.810 nan 8.380 nan 0.000 0.487 901 S N 1.878 117.653 115.700 0.124 0.000 2.448 901 S HA 0.498 4.971 4.470 0.005 0.000 0.279 901 S C 1.114 175.867 174.600 0.255 0.000 1.195 901 S CA -0.343 58.038 58.200 0.302 0.000 1.051 901 S CB 0.661 64.032 63.200 0.285 0.000 0.948 901 S HN 0.575 nan 8.310 nan 0.000 0.493 902 G N 2.545 111.522 108.800 0.296 0.000 2.679 902 G HA2 0.109 4.073 3.960 0.005 0.000 0.158 902 G HA3 0.109 4.073 3.960 0.005 0.000 0.158 902 G C 0.605 175.613 174.900 0.180 0.000 1.702 902 G CA 0.161 45.376 45.100 0.191 0.000 1.041 902 G HN 0.946 nan 8.290 nan 0.000 0.507 903 E N -0.419 119.863 120.200 0.136 0.000 2.437 903 E HA 0.306 4.659 4.350 0.005 0.000 0.195 903 E C 1.101 177.783 176.600 0.136 0.000 1.029 903 E CA 0.212 56.688 56.400 0.127 0.000 0.948 903 E CB 0.234 29.993 29.700 0.100 0.000 1.082 903 E HN 0.416 nan 8.360 nan 0.000 0.456 904 G N 0.695 109.545 108.800 0.083 0.000 3.575 904 G HA2 0.454 4.417 3.960 0.005 0.000 0.273 904 G HA3 0.454 4.417 3.960 0.005 0.000 0.273 904 G C 0.715 175.591 174.900 -0.041 0.000 1.053 904 G CA 0.002 45.106 45.100 0.006 0.000 0.803 904 G HN 0.531 nan 8.290 nan 0.000 0.528 905 G N 0.051 108.833 108.800 -0.029 0.000 2.697 905 G HA2 -0.078 3.885 3.960 0.005 0.000 0.240 905 G HA3 -0.078 3.885 3.960 0.005 0.000 0.240 905 G C -0.437 174.528 174.900 0.108 0.000 1.346 905 G CA 0.111 45.121 45.100 -0.149 0.000 0.887 905 G HN 0.859 nan 8.290 nan 0.000 0.569 906 E N -0.936 119.357 120.200 0.156 0.000 2.347 906 E HA 0.357 4.711 4.350 0.005 0.000 0.285 906 E C -1.331 175.316 176.600 0.078 0.000 0.925 906 E CA -0.710 55.818 56.400 0.212 0.000 0.779 906 E CB 1.310 31.275 29.700 0.441 0.000 1.233 906 E HN 0.521 nan 8.360 nan 0.000 0.414 907 D N 3.890 124.278 120.400 -0.020 0.000 2.426 907 D HA -0.024 4.620 4.640 0.005 0.000 0.261 907 D C 1.333 177.432 176.300 -0.334 0.000 1.245 907 D CA 0.289 54.227 54.000 -0.102 0.000 0.917 907 D CB 1.250 42.067 40.800 0.029 0.000 1.123 907 D HN 0.349 nan 8.370 nan 0.000 0.508 908 V N 4.810 124.433 119.914 -0.486 0.000 2.363 908 V HA -0.280 3.843 4.120 0.005 0.000 0.254 908 V C 2.592 178.314 176.094 -0.620 0.000 1.074 908 V CA 1.395 63.150 62.300 -0.908 0.000 1.069 908 V CB -0.658 30.948 31.823 -0.360 0.000 0.659 908 V HN 0.552 nan 8.190 nan 0.000 0.455 909 V N 0.043 119.795 119.914 -0.270 0.000 2.527 909 V HA -0.312 3.811 4.120 0.005 0.000 0.255 909 V C 2.590 178.624 176.094 -0.101 0.000 1.081 909 V CA 2.229 64.455 62.300 -0.123 0.000 1.092 909 V CB -0.565 31.238 31.823 -0.034 0.000 0.673 909 V HN 0.527 nan 8.190 nan 0.000 0.470 910 R N -1.683 118.729 120.500 -0.147 0.000 2.275 910 R HA -0.005 4.338 4.340 0.005 0.000 0.199 910 R C 2.020 178.396 176.300 0.127 0.000 0.989 910 R CA 1.006 57.106 56.100 -0.000 0.000 1.016 910 R CB -0.242 30.095 30.300 0.062 0.000 0.918 910 R HN 0.683 nan 8.270 nan 0.000 0.473 911 Y N 0.661 120.982 120.300 0.034 0.000 2.352 911 Y HA -0.042 4.511 4.550 0.005 0.000 0.292 911 Y C 1.098 177.002 175.900 0.006 0.000 1.136 911 Y CA -0.233 57.876 58.100 0.014 0.000 1.227 911 Y CB 0.123 38.590 38.460 0.012 0.000 0.991 911 Y HN -0.061 nan 8.280 nan 0.000 0.545 912 L N 0.693 122.000 121.223 0.140 0.000 2.350 912 L HA 0.163 4.506 4.340 0.005 0.000 0.275 912 L C 0.414 177.316 176.870 0.052 0.000 1.099 912 L CA -0.483 54.404 54.840 0.079 0.000 0.808 912 L CB 1.051 43.141 42.059 0.051 0.000 1.149 912 L HN -0.051 nan 8.230 nan 0.000 0.442 913 T N 3.591 118.166 114.554 0.036 0.000 2.928 913 T HA 0.181 4.534 4.350 0.005 0.000 0.305 913 T C 0.239 174.948 174.700 0.015 0.000 1.035 913 T CA -0.350 61.764 62.100 0.022 0.000 1.145 913 T CB 0.146 69.022 68.868 0.012 0.000 0.963 913 T HN 0.251 nan 8.240 nan 0.000 0.545 914 L N 3.167 124.395 121.223 0.009 0.000 2.410 914 L HA 0.148 4.491 4.340 0.005 0.000 0.273 914 L C 1.405 178.274 176.870 -0.002 0.000 1.152 914 L CA 0.102 54.942 54.840 -0.000 0.000 0.855 914 L CB 0.347 42.402 42.059 -0.007 0.000 1.129 914 L HN 0.764 nan 8.230 nan 0.000 0.463 915 D N 0.706 121.103 120.400 -0.004 0.000 2.422 915 D HA -0.038 4.605 4.640 0.005 0.000 0.218 915 D C 0.271 176.567 176.300 -0.007 0.000 1.047 915 D CA 0.567 54.564 54.000 -0.004 0.000 0.885 915 D CB 0.690 41.489 40.800 -0.002 0.000 1.035 915 D HN 0.705 nan 8.370 nan 0.000 0.502 916 D N 0.587 120.980 120.400 -0.011 0.000 2.670 916 D HA 0.052 4.695 4.640 0.005 0.000 0.255 916 D C 0.148 176.437 176.300 -0.019 0.000 1.286 916 D CA -0.273 53.719 54.000 -0.014 0.000 0.830 916 D CB 0.032 40.824 40.800 -0.014 0.000 1.065 916 D HN -0.184 nan 8.370 nan 0.000 0.486 917 V N 2.346 122.249 119.914 -0.018 0.000 2.446 917 V HA 0.121 4.245 4.120 0.005 0.000 0.276 917 V C 0.758 176.843 176.094 -0.015 0.000 1.030 917 V CA -0.426 61.862 62.300 -0.020 0.000 1.033 917 V CB 0.019 31.832 31.823 -0.017 0.000 0.993 917 V HN 0.297 nan 8.190 nan 0.000 0.477 918 D N 4.153 124.543 120.400 -0.016 0.000 2.414 918 D HA 0.089 4.732 4.640 0.005 0.000 0.259 918 D C 1.381 177.676 176.300 -0.009 0.000 1.269 918 D CA 0.036 54.029 54.000 -0.012 0.000 1.028 918 D CB 0.597 41.390 40.800 -0.012 0.000 1.093 918 D HN 0.435 nan 8.370 nan 0.000 0.545 919 S N -1.260 114.436 115.700 -0.007 0.000 2.453 919 S HA -0.127 4.346 4.470 0.005 0.000 0.231 919 S C 1.266 175.863 174.600 -0.004 0.000 1.005 919 S CA 0.588 58.784 58.200 -0.006 0.000 0.949 919 S CB -0.515 62.682 63.200 -0.006 0.000 0.774 919 S HN 0.605 nan 8.310 nan 0.000 0.510 920 E N 0.865 121.065 120.200 -0.001 0.000 2.489 920 E HA 0.267 4.621 4.350 0.005 0.000 0.193 920 E C 0.988 177.596 176.600 0.012 0.000 1.057 920 E CA 0.157 56.561 56.400 0.007 0.000 0.866 920 E CB -0.042 29.666 29.700 0.014 0.000 0.916 920 E HN 0.702 nan 8.360 nan 0.000 0.500 921 G N 1.939 110.740 108.800 0.002 0.000 2.132 921 G HA2 -0.199 3.764 3.960 0.005 0.000 0.228 921 G HA3 -0.199 3.764 3.960 0.005 0.000 0.228 921 G C -0.310 174.584 174.900 -0.011 0.000 1.000 921 G CA -0.245 44.855 45.100 0.001 0.000 0.693 921 G HN 0.131 nan 8.290 nan 0.000 0.515 922 N N 0.103 118.789 118.700 -0.024 0.000 2.417 922 N HA 0.651 5.394 4.740 0.005 0.000 0.300 922 N C -0.470 175.003 175.510 -0.061 0.000 1.102 922 N CA 0.152 53.165 53.050 -0.062 0.000 0.886 922 N CB 1.848 40.297 38.487 -0.064 0.000 1.203 922 N HN 0.320 nan 8.380 nan 0.000 0.496 923 S N 0.907 116.554 115.700 -0.088 0.000 2.561 923 S HA 0.428 4.901 4.470 0.005 0.000 0.303 923 S C -1.998 172.552 174.600 -0.084 0.000 1.110 923 S CA -1.624 56.532 58.200 -0.073 0.000 1.034 923 S CB 1.540 64.697 63.200 -0.072 0.000 1.010 923 S HN 0.259 nan 8.310 nan 0.000 0.482 924 P HA -0.019 nan 4.420 nan 0.000 0.225 924 P C 1.116 178.389 177.300 -0.044 0.000 1.148 924 P CA 1.006 64.079 63.100 -0.046 0.000 0.779 924 P CB -0.244 31.440 31.700 -0.028 0.000 0.780 925 T N -0.070 114.456 114.554 -0.047 0.000 2.904 925 T HA 0.045 4.398 4.350 0.005 0.000 0.267 925 T C 1.094 175.758 174.700 -0.060 0.000 1.059 925 T CA 0.873 62.950 62.100 -0.037 0.000 1.137 925 T CB -0.169 68.683 68.868 -0.028 0.000 0.879 925 T HN 0.131 nan 8.240 nan 0.000 0.467 926 L N 1.423 122.564 121.223 -0.137 0.000 2.725 926 L HA 0.250 4.593 4.340 0.005 0.000 0.270 926 L C -1.985 174.595 176.870 -0.483 0.000 1.422 926 L CA -1.282 53.369 54.840 -0.316 0.000 0.770 926 L CB 1.569 43.462 42.059 -0.276 0.000 1.081 926 L HN -0.059 nan 8.230 nan 0.000 0.527 927 P HA -0.142 nan 4.420 nan 0.000 0.230 927 P C 1.084 178.236 177.300 -0.247 0.000 1.158 927 P CA 1.216 64.193 63.100 -0.207 0.000 0.769 927 P CB -0.123 31.534 31.700 -0.071 0.000 0.807 928 H N -1.730 117.256 119.070 -0.139 0.000 2.551 928 H HA 0.223 4.783 4.556 0.006 0.000 0.266 928 H C 0.704 175.941 175.328 -0.151 0.000 0.964 928 H CA -0.192 55.781 56.048 -0.125 0.000 1.180 928 H CB -0.488 29.224 29.762 -0.084 0.000 1.408 928 H HN 0.115 nan 8.280 nan 0.000 0.563 929 L N 1.883 122.836 121.223 -0.451 0.000 2.379 929 L HA 0.342 4.685 4.340 0.005 0.000 0.269 929 L C -0.368 176.270 176.870 -0.386 0.000 1.084 929 L CA -0.585 54.115 54.840 -0.233 0.000 0.802 929 L CB 1.072 43.018 42.059 -0.188 0.000 1.175 929 L HN 0.172 nan 8.230 nan 0.000 0.448 930 H N -0.682 118.413 119.070 0.043 0.000 2.834 930 H HA 0.549 5.109 4.556 0.005 0.000 0.369 930 H C 0.488 175.828 175.328 0.020 0.000 1.174 930 H CA -0.128 55.934 56.048 0.023 0.000 1.165 930 H CB 1.791 31.569 29.762 0.028 0.000 1.820 930 H HN 0.746 nan 8.280 nan 0.000 0.558 931 G N 0.673 109.552 108.800 0.131 0.000 2.182 931 G HA2 -0.226 3.737 3.960 0.005 0.000 0.248 931 G HA3 -0.226 3.737 3.960 0.005 0.000 0.248 931 G C -0.472 174.453 174.900 0.041 0.000 1.042 931 G CA 0.019 45.161 45.100 0.071 0.000 0.775 931 G HN 0.389 nan 8.290 nan 0.000 0.501 932 L N -0.352 120.884 121.223 0.022 0.000 2.357 932 L HA 0.699 5.042 4.340 0.005 0.000 0.273 932 L C 0.668 177.539 176.870 0.001 0.000 1.080 932 L CA -0.972 53.871 54.840 0.006 0.000 0.803 932 L CB 1.385 43.435 42.059 -0.015 0.000 1.174 932 L HN 0.521 nan 8.230 nan 0.000 0.443 933 Q N 0.266 120.067 119.800 0.002 0.000 2.458 933 Q HA 0.398 4.741 4.340 0.005 0.000 0.282 933 Q C -0.158 175.841 176.000 -0.002 0.000 1.106 933 Q CA -0.963 54.839 55.803 -0.001 0.000 0.814 933 Q CB 1.412 30.150 28.738 0.000 0.000 1.425 933 Q HN 0.295 nan 8.270 nan 0.000 0.437 934 N N 0.628 119.326 118.700 -0.004 0.000 2.205 934 N HA -0.121 4.622 4.740 0.005 0.000 0.186 934 N C 1.419 176.928 175.510 -0.002 0.000 1.015 934 N CA 1.651 54.699 53.050 -0.004 0.000 0.862 934 N CB -0.276 38.208 38.487 -0.005 0.000 0.986 934 N HN 0.900 nan 8.380 nan 0.000 0.429 935 G N 0.124 108.924 108.800 -0.000 0.000 2.776 935 G HA2 -0.094 3.869 3.960 0.005 0.000 0.209 935 G HA3 -0.094 3.869 3.960 0.005 0.000 0.209 935 G C 0.215 175.117 174.900 0.004 0.000 1.145 935 G CA -0.032 45.069 45.100 0.001 0.000 0.791 935 G HN 0.196 nan 8.290 nan 0.000 0.530 936 D N -0.183 120.220 120.400 0.005 0.000 2.357 936 D HA 0.453 5.097 4.640 0.005 0.000 0.242 936 D C 0.129 176.436 176.300 0.013 0.000 1.153 936 D CA 0.647 54.653 54.000 0.009 0.000 0.918 936 D CB 1.398 42.203 40.800 0.009 0.000 1.181 936 D HN -0.019 nan 8.370 nan 0.000 0.435 937 T N -1.127 113.438 114.554 0.020 0.000 3.041 937 T HA 0.538 4.891 4.350 0.005 0.000 0.321 937 T C -0.376 174.350 174.700 0.043 0.000 1.184 937 T CA -0.578 61.541 62.100 0.032 0.000 1.050 937 T CB 1.213 70.101 68.868 0.034 0.000 1.159 937 T HN 0.192 nan 8.240 nan 0.000 0.469 938 A N 3.728 126.584 122.820 0.060 0.000 2.345 938 A HA 0.326 4.650 4.320 0.005 0.000 0.225 938 A C 0.835 178.487 177.584 0.113 0.000 1.243 938 A CA -0.210 51.876 52.037 0.080 0.000 0.875 938 A CB -0.594 18.458 19.000 0.088 0.000 0.929 938 A HN 0.725 nan 8.150 nan 0.000 0.502 939 N N 1.318 120.088 118.700 0.117 0.000 2.414 939 N HA 0.020 4.763 4.740 0.005 0.000 0.268 939 N C -0.327 175.227 175.510 0.073 0.000 1.286 939 N CA 0.444 53.578 53.050 0.139 0.000 0.896 939 N CB 0.192 38.744 38.487 0.108 0.000 1.093 939 N HN 0.175 nan 8.380 nan 0.000 0.480 940 S N 2.865 118.616 115.700 0.084 0.000 2.498 940 S HA 0.175 4.648 4.470 0.005 0.000 0.281 940 S C 1.364 175.937 174.600 -0.043 0.000 1.265 940 S CA -0.196 58.020 58.200 0.027 0.000 1.071 940 S CB 0.949 64.187 63.200 0.064 0.000 0.894 940 S HN 0.697 nan 8.310 nan 0.000 0.491 941 A N 4.264 127.054 122.820 -0.050 0.000 1.969 941 A HA 0.079 4.402 4.320 0.005 0.000 0.218 941 A C 0.734 178.257 177.584 -0.102 0.000 1.169 941 A CA 0.868 52.859 52.037 -0.078 0.000 0.635 941 A CB -0.316 18.645 19.000 -0.064 0.000 0.810 941 A HN 0.785 nan 8.150 nan 0.000 0.445 942 I N 1.021 121.540 120.570 -0.085 0.000 2.321 942 I HA 0.227 4.400 4.170 0.005 0.000 0.291 942 I C -0.658 175.387 176.117 -0.120 0.000 0.998 942 I CA -0.703 60.540 61.300 -0.096 0.000 1.227 942 I CB 1.447 39.413 38.000 -0.056 0.000 1.368 942 I HN -0.048 nan 8.210 nan 0.000 0.466 943 K N 6.242 126.516 120.400 -0.209 0.000 2.183 943 K HA 0.368 4.692 4.320 0.005 0.000 0.274 943 K C -0.559 175.963 176.600 -0.129 0.000 1.009 943 K CA -0.514 55.580 56.287 -0.322 0.000 0.888 943 K CB 1.749 33.770 32.500 -0.799 0.000 1.078 943 K HN 0.548 nan 8.250 nan 0.000 0.459 944 Q N 2.285 122.110 119.800 0.041 0.000 2.230 944 Q HA 0.422 4.766 4.340 0.005 0.000 0.253 944 Q C -0.972 175.132 176.000 0.174 0.000 0.919 944 Q CA -0.720 55.144 55.803 0.101 0.000 0.908 944 Q CB 0.885 29.696 28.738 0.122 0.000 1.245 944 Q HN 0.412 nan 8.270 nan 0.000 0.437 945 I N 3.190 123.830 120.570 0.116 0.000 2.382 945 I HA 0.554 4.727 4.170 0.005 0.000 0.285 945 I C -0.521 175.703 176.117 0.179 0.000 1.007 945 I CA -0.057 61.317 61.300 0.123 0.000 1.142 945 I CB 1.627 39.678 38.000 0.084 0.000 1.289 945 I HN 0.643 nan 8.210 nan 0.000 0.453 946 A N 3.442 126.313 122.820 0.085 0.000 2.435 946 A HA 0.660 4.983 4.320 0.005 0.000 0.296 946 A C 0.953 178.305 177.584 -0.387 0.000 1.147 946 A CA -0.015 52.011 52.037 -0.020 0.000 0.775 946 A CB 1.094 20.080 19.000 -0.023 0.000 1.340 946 A HN 0.692 nan 8.150 nan 0.000 0.427 947 S N -0.389 114.880 115.700 -0.719 0.000 2.440 947 S HA -0.085 4.388 4.470 0.005 0.000 0.238 947 S C 1.603 175.920 174.600 -0.472 0.000 1.010 947 S CA 1.660 59.404 58.200 -0.760 0.000 0.972 947 S CB -0.550 62.285 63.200 -0.609 0.000 0.774 947 S HN 1.400 nan 8.310 nan 0.000 0.501 948 G N 1.175 109.658 108.800 -0.529 0.000 2.464 948 G HA2 0.008 3.972 3.960 0.005 0.000 0.217 948 G HA3 0.008 3.972 3.960 0.005 0.000 0.217 948 G C 0.605 174.935 174.900 -0.949 0.000 1.138 948 G CA -0.023 44.537 45.100 -0.900 0.000 0.793 948 G HN 0.358 nan 8.290 nan 0.000 0.539 949 R N -1.166 118.977 120.500 -0.595 0.000 3.741 949 R HA -0.216 4.127 4.340 0.005 0.000 0.292 949 R C 1.125 177.206 176.300 -0.365 0.000 1.176 949 R CA 0.750 56.581 56.100 -0.448 0.000 0.794 949 R CB -2.793 27.172 30.300 -0.558 0.000 1.213 949 R HN 0.524 nan 8.270 nan 0.000 0.494 950 F N 0.024 119.867 119.950 -0.179 0.000 2.037 950 F HA -0.278 4.252 4.527 0.005 0.000 0.296 950 F C 2.327 177.997 175.800 -0.216 0.000 1.132 950 F CA 1.987 59.883 58.000 -0.173 0.000 1.211 950 F CB -0.220 38.695 39.000 -0.141 0.000 0.951 950 F HN 0.347 nan 8.300 nan 0.000 0.503 951 G N -0.363 108.352 108.800 -0.142 0.000 4.433 951 G HA2 0.414 4.378 3.960 0.005 0.000 0.304 951 G HA3 0.414 4.378 3.960 0.005 0.000 0.304 951 G C -1.068 173.507 174.900 -0.541 0.000 1.254 951 G CA -0.189 44.748 45.100 -0.272 0.000 0.999 951 G HN 0.045 nan 8.290 nan 0.000 0.576 952 V N 1.298 120.980 119.914 -0.386 0.000 2.372 952 V HA 0.431 4.554 4.120 0.005 0.000 0.261 952 V C 0.330 176.407 176.094 -0.029 0.000 1.055 952 V CA 0.110 62.211 62.300 -0.331 0.000 0.930 952 V CB 0.730 32.482 31.823 -0.118 0.000 1.031 952 V HN 0.244 nan 8.190 nan 0.000 0.479 953 T N 7.151 121.713 114.554 0.013 0.000 2.907 953 T HA 0.418 4.771 4.350 0.005 0.000 0.292 953 T C -1.904 172.834 174.700 0.062 0.000 1.043 953 T CA -1.291 60.867 62.100 0.095 0.000 1.003 953 T CB 2.453 71.376 68.868 0.092 0.000 1.084 953 T HN 0.308 nan 8.240 nan 0.000 0.483 954 P HA -0.062 nan 4.420 nan 0.000 0.217 954 P C 1.261 178.536 177.300 -0.041 0.000 1.150 954 P CA 0.824 63.881 63.100 -0.071 0.000 0.832 954 P CB 0.349 32.069 31.700 0.033 0.000 0.787 955 E N -1.257 118.972 120.200 0.049 0.000 2.047 955 E HA -0.240 4.113 4.350 0.005 0.000 0.191 955 E C 2.014 178.613 176.600 -0.003 0.000 0.987 955 E CA 0.760 57.193 56.400 0.055 0.000 0.799 955 E CB -0.682 29.121 29.700 0.173 0.000 0.752 955 E HN 0.136 nan 8.360 nan 0.000 0.449 956 Y N 1.363 121.651 120.300 -0.020 0.000 2.102 956 Y HA -0.281 4.272 4.550 0.006 0.000 0.280 956 Y C 1.931 177.707 175.900 -0.207 0.000 1.178 956 Y CA 2.073 60.128 58.100 -0.075 0.000 1.146 956 Y CB -0.246 38.233 38.460 0.032 0.000 0.968 956 Y HN 0.068 nan 8.280 nan 0.000 0.504 957 L N -0.834 120.327 121.223 -0.102 0.000 2.141 957 L HA -0.224 4.120 4.340 0.005 0.000 0.209 957 L C 2.198 178.903 176.870 -0.276 0.000 1.094 957 L CA 0.811 55.499 54.840 -0.254 0.000 0.763 957 L CB -0.436 41.433 42.059 -0.317 0.000 0.908 957 L HN 0.319 nan 8.230 nan 0.000 0.437 958 M N -0.629 118.826 119.600 -0.242 0.000 2.419 958 M HA -0.060 4.424 4.480 0.005 0.000 0.264 958 M C 2.521 178.653 176.300 -0.279 0.000 1.082 958 M CA 1.295 56.462 55.300 -0.222 0.000 1.119 958 M CB -1.192 31.309 32.600 -0.165 0.000 1.398 958 M HN 0.326 nan 8.290 nan 0.000 0.453 959 S N -0.448 115.001 115.700 -0.419 0.000 2.489 959 S HA 0.095 4.568 4.470 0.005 0.000 0.228 959 S C 1.192 175.561 174.600 -0.385 0.000 0.995 959 S CA 0.204 58.087 58.200 -0.529 0.000 0.934 959 S CB -0.760 61.766 63.200 -1.124 0.000 0.771 959 S HN 0.398 nan 8.310 nan 0.000 0.522 960 G N 0.831 109.420 108.800 -0.353 0.000 2.432 960 G HA2 0.425 4.388 3.960 0.005 0.000 0.257 960 G HA3 0.425 4.388 3.960 0.005 0.000 0.257 960 G C 0.338 175.122 174.900 -0.193 0.000 1.238 960 G CA -0.676 44.262 45.100 -0.270 0.000 0.838 960 G HN 0.174 nan 8.290 nan 0.000 0.547 961 K N -0.143 120.166 120.400 -0.152 0.000 2.155 961 K HA 0.049 4.372 4.320 0.005 0.000 0.203 961 K C 1.286 177.818 176.600 -0.113 0.000 1.052 961 K CA 1.207 57.423 56.287 -0.119 0.000 0.948 961 K CB 0.128 32.569 32.500 -0.098 0.000 0.728 961 K HN 0.640 nan 8.250 nan 0.000 0.448 962 Q N -0.559 119.167 119.800 -0.122 0.000 2.451 962 Q HA 0.481 4.824 4.340 0.005 0.000 0.281 962 Q C -1.142 174.779 176.000 -0.132 0.000 1.099 962 Q CA -0.750 54.987 55.803 -0.111 0.000 0.806 962 Q CB 2.444 31.126 28.738 -0.093 0.000 1.419 962 Q HN -0.045 nan 8.270 nan 0.000 0.427 963 L N 1.264 122.415 121.223 -0.121 0.000 2.381 963 L HA 0.509 4.852 4.340 0.005 0.000 0.274 963 L C -0.652 176.162 176.870 -0.093 0.000 0.988 963 L CA -0.537 54.227 54.840 -0.127 0.000 0.824 963 L CB 2.069 44.042 42.059 -0.144 0.000 1.263 963 L HN 0.648 nan 8.230 nan 0.000 0.410 964 E N 4.070 124.231 120.200 -0.065 0.000 2.176 964 E HA 0.470 4.823 4.350 0.005 0.000 0.267 964 E C -1.165 175.424 176.600 -0.019 0.000 0.893 964 E CA -0.668 55.708 56.400 -0.040 0.000 0.761 964 E CB 1.596 31.284 29.700 -0.021 0.000 1.133 964 E HN 0.509 nan 8.360 nan 0.000 0.409 965 I N 5.092 125.637 120.570 -0.040 0.000 2.301 965 I HA 0.154 4.327 4.170 0.005 0.000 0.292 965 I C 0.378 176.484 176.117 -0.018 0.000 1.046 965 I CA -0.389 60.879 61.300 -0.052 0.000 1.282 965 I CB 0.784 38.694 38.000 -0.149 0.000 1.409 965 I HN 0.326 nan 8.210 nan 0.000 0.484 966 K N 7.355 127.803 120.400 0.079 0.000 2.273 966 K HA 0.199 4.523 4.320 0.005 0.000 0.287 966 K C 0.616 177.333 176.600 0.195 0.000 1.089 966 K CA -0.516 55.839 56.287 0.114 0.000 0.909 966 K CB 0.761 33.331 32.500 0.116 0.000 1.123 966 K HN 0.603 nan 8.250 nan 0.000 0.473 967 M N 2.002 121.662 119.600 0.101 0.000 2.287 967 M HA 0.114 4.597 4.480 0.005 0.000 0.266 967 M C 0.601 176.967 176.300 0.109 0.000 1.079 967 M CA 0.689 56.062 55.300 0.121 0.000 1.146 967 M CB -0.610 32.037 32.600 0.079 0.000 1.374 967 M HN 0.625 nan 8.290 nan 0.000 0.435 968 A N 0.480 123.342 122.820 0.069 0.000 2.583 968 A HA 0.580 4.903 4.320 0.005 0.000 0.292 968 A C -1.322 176.260 177.584 -0.003 0.000 1.045 968 A CA -0.866 51.174 52.037 0.005 0.000 0.672 968 A CB 1.066 20.038 19.000 -0.046 0.000 1.283 968 A HN 0.329 nan 8.150 nan 0.000 0.419 969 Q N 0.443 120.219 119.800 -0.041 0.000 2.387 969 Q HA 0.633 4.977 4.340 0.005 0.000 0.273 969 Q C 0.745 176.714 176.000 -0.051 0.000 1.089 969 Q CA -0.485 55.306 55.803 -0.020 0.000 0.824 969 Q CB 1.851 30.587 28.738 -0.004 0.000 1.367 969 Q HN 1.204 nan 8.270 nan 0.000 0.443 970 G N 1.393 110.188 108.800 -0.007 0.000 2.469 970 G HA2 -0.305 3.658 3.960 0.005 0.000 0.220 970 G HA3 -0.305 3.658 3.960 0.005 0.000 0.220 970 G C 1.245 176.133 174.900 -0.019 0.000 1.136 970 G CA 0.998 46.102 45.100 0.007 0.000 0.759 970 G HN 0.805 nan 8.290 nan 0.000 0.562 971 A N 0.583 123.390 122.820 -0.022 0.000 1.969 971 A HA 0.104 4.428 4.320 0.005 0.000 0.218 971 A C 1.569 179.133 177.584 -0.033 0.000 1.169 971 A CA 1.786 53.812 52.037 -0.019 0.000 0.635 971 A CB -0.144 18.849 19.000 -0.012 0.000 0.810 971 A HN 0.566 nan 8.150 nan 0.000 0.445 972 K N -2.121 118.237 120.400 -0.069 0.000 3.262 972 K HA 0.287 4.610 4.320 0.005 0.000 0.166 972 K C -2.707 173.791 176.600 -0.169 0.000 1.091 972 K CA -1.284 54.953 56.287 -0.083 0.000 0.798 972 K CB 1.091 33.568 32.500 -0.038 0.000 0.953 972 K HN -0.004 nan 8.250 nan 0.000 0.588 973 P HA -0.184 nan 4.420 nan 0.000 0.215 973 P C 1.290 178.321 177.300 -0.449 0.000 1.157 973 P CA 1.673 64.355 63.100 -0.696 0.000 0.874 973 P CB 0.033 30.650 31.700 -1.804 0.000 0.790 974 G N -0.598 108.060 108.800 -0.237 0.000 2.990 974 G HA2 -0.042 3.921 3.960 0.005 0.000 0.206 974 G HA3 -0.042 3.921 3.960 0.005 0.000 0.206 974 G C 0.285 175.187 174.900 0.004 0.000 1.169 974 G CA 0.098 45.197 45.100 -0.001 0.000 0.819 974 G HN 0.348 nan 8.290 nan 0.000 0.517 975 E N -1.510 118.668 120.200 -0.037 0.000 2.423 975 E HA 0.568 4.922 4.350 0.005 0.000 0.269 975 E C -0.139 176.444 176.600 -0.029 0.000 0.948 975 E CA -1.152 55.238 56.400 -0.017 0.000 0.802 975 E CB 1.383 31.078 29.700 -0.009 0.000 1.339 975 E HN 0.068 nan 8.360 nan 0.000 0.445 976 G N -0.541 108.243 108.800 -0.027 0.000 2.488 976 G HA2 0.505 4.468 3.960 0.005 0.000 0.318 976 G HA3 0.505 4.468 3.960 0.005 0.000 0.318 976 G C 0.079 174.969 174.900 -0.017 0.000 1.188 976 G CA -0.284 44.788 45.100 -0.047 0.000 0.944 976 G HN 0.455 nan 8.290 nan 0.000 0.495 977 G N -1.378 107.416 108.800 -0.010 0.000 2.647 977 G HA2 0.393 4.356 3.960 0.005 0.000 0.234 977 G HA3 0.393 4.356 3.960 0.005 0.000 0.234 977 G C -0.096 174.828 174.900 0.040 0.000 1.252 977 G CA 0.012 45.126 45.100 0.024 0.000 0.846 977 G HN 0.644 nan 8.290 nan 0.000 0.589 978 Q N -0.178 119.646 119.800 0.039 0.000 2.374 978 Q HA 0.426 4.769 4.340 0.005 0.000 0.250 978 Q C -1.864 174.152 176.000 0.027 0.000 0.918 978 Q CA -0.745 55.081 55.803 0.038 0.000 0.778 978 Q CB 1.423 30.181 28.738 0.033 0.000 1.328 978 Q HN 0.408 nan 8.270 nan 0.000 0.445 979 L N 6.463 127.693 121.223 0.012 0.000 2.342 979 L HA 0.637 4.980 4.340 0.005 0.000 0.276 979 L C -2.523 174.341 176.870 -0.010 0.000 0.997 979 L CA -1.904 52.928 54.840 -0.014 0.000 0.838 979 L CB 1.456 43.476 42.059 -0.066 0.000 1.224 979 L HN 0.439 nan 8.230 nan 0.000 0.416 980 P HA 0.108 nan 4.420 nan 0.000 0.268 980 P C 0.765 178.058 177.300 -0.011 0.000 1.205 980 P CA 0.029 63.135 63.100 0.010 0.000 0.771 980 P CB 0.860 32.575 31.700 0.024 0.000 0.858 981 G N 3.250 112.045 108.800 -0.007 0.000 2.475 981 G HA2 -0.286 3.678 3.960 0.005 0.000 0.220 981 G HA3 -0.286 3.678 3.960 0.005 0.000 0.220 981 G C 1.369 176.258 174.900 -0.018 0.000 1.125 981 G CA 0.523 45.614 45.100 -0.016 0.000 0.755 981 G HN 0.511 nan 8.290 nan 0.000 0.565 982 K N 0.063 120.455 120.400 -0.013 0.000 2.211 982 K HA -0.073 4.250 4.320 0.005 0.000 0.204 982 K C 2.234 178.820 176.600 -0.024 0.000 1.047 982 K CA 1.159 57.436 56.287 -0.017 0.000 0.935 982 K CB -0.069 32.420 32.500 -0.019 0.000 0.728 982 K HN 0.264 nan 8.250 nan 0.000 0.452 983 K N 0.391 120.773 120.400 -0.029 0.000 2.361 983 K HA 0.078 4.401 4.320 0.005 0.000 0.194 983 K C 0.006 176.579 176.600 -0.045 0.000 1.032 983 K CA 0.029 56.295 56.287 -0.035 0.000 1.048 983 K CB 0.856 33.337 32.500 -0.033 0.000 0.842 983 K HN -0.146 nan 8.250 nan 0.000 0.526 984 V N 3.624 123.506 119.914 -0.055 0.000 2.242 984 V HA -0.021 4.102 4.120 0.005 0.000 0.242 984 V C 0.536 176.601 176.094 -0.047 0.000 1.240 984 V CA -0.283 61.974 62.300 -0.073 0.000 1.211 984 V CB -0.747 31.019 31.823 -0.096 0.000 1.338 984 V HN 0.242 nan 8.190 nan 0.000 0.499 985 S N 2.910 118.593 115.700 -0.028 0.000 2.626 985 S HA 0.213 4.686 4.470 0.005 0.000 0.257 985 S C 1.124 175.723 174.600 -0.001 0.000 1.288 985 S CA -0.471 57.727 58.200 -0.004 0.000 0.980 985 S CB 0.954 64.167 63.200 0.021 0.000 0.975 985 S HN 0.592 nan 8.310 nan 0.000 0.577 986 E N -0.082 120.128 120.200 0.017 0.000 2.118 986 E HA -0.182 4.171 4.350 0.005 0.000 0.195 986 E C 1.689 178.310 176.600 0.034 0.000 0.992 986 E CA 1.488 57.898 56.400 0.017 0.000 0.804 986 E CB -0.401 29.315 29.700 0.025 0.000 0.741 986 E HN 0.856 nan 8.360 nan 0.000 0.458 987 Y N 1.023 121.281 120.300 -0.070 0.000 2.145 987 Y HA -0.226 4.327 4.550 0.005 0.000 0.286 987 Y C 2.207 178.052 175.900 -0.092 0.000 1.145 987 Y CA 1.195 59.248 58.100 -0.080 0.000 1.148 987 Y CB 0.036 38.440 38.460 -0.093 0.000 0.981 987 Y HN -0.042 nan 8.280 nan 0.000 0.507 988 I N 0.417 120.931 120.570 -0.092 0.000 2.315 988 I HA -0.244 3.929 4.170 0.005 0.000 0.248 988 I C 2.649 178.628 176.117 -0.231 0.000 1.117 988 I CA 1.439 62.617 61.300 -0.202 0.000 1.404 988 I CB -1.985 35.942 38.000 -0.121 0.000 1.071 988 I HN 0.367 nan 8.210 nan 0.000 0.419 989 A N 0.605 123.328 122.820 -0.162 0.000 1.933 989 A HA -0.209 4.114 4.320 0.005 0.000 0.218 989 A C 2.372 179.871 177.584 -0.143 0.000 1.175 989 A CA 1.503 53.454 52.037 -0.144 0.000 0.628 989 A CB -0.578 18.369 19.000 -0.087 0.000 0.814 989 A HN 0.362 nan 8.150 nan 0.000 0.444 990 M N -0.722 118.782 119.600 -0.160 0.000 2.086 990 M HA -0.099 4.384 4.480 0.005 0.000 0.261 990 M C 1.798 177.978 176.300 -0.200 0.000 1.067 990 M CA 1.761 56.967 55.300 -0.157 0.000 1.116 990 M CB -0.705 31.808 32.600 -0.145 0.000 1.348 990 M HN 0.300 nan 8.290 nan 0.000 0.407 991 L N 0.681 121.716 121.223 -0.315 0.000 2.046 991 L HA -0.134 4.209 4.340 0.005 0.000 0.208 991 L C 2.431 179.188 176.870 -0.187 0.000 1.077 991 L CA 1.797 56.462 54.840 -0.291 0.000 0.747 991 L CB -0.946 40.872 42.059 -0.400 0.000 0.896 991 L HN 0.361 nan 8.230 nan 0.000 0.432 992 R N -0.859 119.532 120.500 -0.182 0.000 2.310 992 R HA 0.129 4.473 4.340 0.005 0.000 0.202 992 R C 0.057 176.352 176.300 -0.008 0.000 0.933 992 R CA -0.241 55.798 56.100 -0.102 0.000 1.054 992 R CB 0.107 30.208 30.300 -0.332 0.000 0.985 992 R HN 0.078 nan 8.270 nan 0.000 0.489 993 R N 0.974 121.444 120.500 -0.050 0.000 3.264 993 R HA -0.171 4.172 4.340 0.005 0.000 0.251 993 R C -0.405 175.902 176.300 0.012 0.000 0.971 993 R CA 0.859 56.951 56.100 -0.013 0.000 0.658 993 R CB -1.799 28.506 30.300 0.008 0.000 1.095 993 R HN 0.476 nan 8.270 nan 0.000 0.443 994 S N -1.866 113.815 115.700 -0.032 0.000 2.851 994 S HA 0.682 5.155 4.470 0.005 0.000 0.313 994 S C -0.780 173.800 174.600 -0.033 0.000 1.163 994 S CA -1.234 56.954 58.200 -0.019 0.000 0.850 994 S CB 1.886 65.054 63.200 -0.054 0.000 1.245 994 S HN 0.023 nan 8.310 nan 0.000 0.558 995 K N 1.363 121.749 120.400 -0.024 0.000 2.183 995 K HA 0.392 4.715 4.320 0.005 0.000 0.274 995 K C -2.026 174.553 176.600 -0.035 0.000 1.009 995 K CA -2.299 53.977 56.287 -0.019 0.000 0.888 995 K CB 1.151 33.651 32.500 0.000 0.000 1.078 995 K HN 0.321 nan 8.250 nan 0.000 0.459 996 P HA -0.209 nan 4.420 nan 0.000 0.217 996 P C 0.944 178.227 177.300 -0.029 0.000 1.162 996 P CA 1.493 64.574 63.100 -0.032 0.000 0.901 996 P CB 0.231 31.920 31.700 -0.018 0.000 0.793 997 G N -1.637 107.152 108.800 -0.018 0.000 3.371 997 G HA2 0.248 4.211 3.960 0.005 0.000 0.248 997 G HA3 0.248 4.211 3.960 0.005 0.000 0.248 997 G C -0.197 174.693 174.900 -0.016 0.000 1.161 997 G CA -0.006 45.084 45.100 -0.016 0.000 0.796 997 G HN 0.158 nan 8.290 nan 0.000 0.539 998 V N 1.212 121.112 119.914 -0.023 0.000 2.384 998 V HA 0.276 4.399 4.120 0.005 0.000 0.287 998 V C 0.504 176.586 176.094 -0.019 0.000 1.020 998 V CA -0.697 61.596 62.300 -0.012 0.000 0.850 998 V CB 1.331 33.153 31.823 -0.001 0.000 0.987 998 V HN 0.136 nan 8.190 nan 0.000 0.436 999 T N 6.752 121.306 114.554 -0.001 0.000 2.933 999 T HA 0.175 4.528 4.350 0.005 0.000 0.306 999 T C -0.046 174.665 174.700 0.018 0.000 1.045 999 T CA 0.566 62.669 62.100 0.006 0.000 1.143 999 T CB -0.119 68.764 68.868 0.025 0.000 1.003 999 T HN 0.381 nan 8.240 nan 0.000 0.540 1000 L N 4.790 126.014 121.223 0.001 0.000 2.324 1000 L HA 0.469 4.812 4.340 0.005 0.000 0.274 1000 L C -0.137 176.786 176.870 0.089 0.000 1.012 1000 L CA -0.405 54.459 54.840 0.041 0.000 0.859 1000 L CB 0.715 42.702 42.059 -0.120 0.000 1.224 1000 L HN 0.566 nan 8.230 nan 0.000 0.429 1001 I N 2.138 122.782 120.570 0.125 0.000 2.310 1001 I HA 0.178 4.351 4.170 0.005 0.000 0.287 1001 I C 0.537 176.710 176.117 0.094 0.000 1.073 1001 I CA -0.101 61.263 61.300 0.106 0.000 1.216 1001 I CB 1.026 39.088 38.000 0.102 0.000 1.415 1001 I HN 0.535 nan 8.210 nan 0.000 0.480 1002 S N 8.039 123.775 115.700 0.060 0.000 2.566 1002 S HA 0.097 4.570 4.470 0.005 0.000 0.280 1002 S C -2.040 172.426 174.600 -0.224 0.000 1.343 1002 S CA -0.704 57.433 58.200 -0.104 0.000 1.036 1002 S CB -0.047 63.101 63.200 -0.087 0.000 0.866 1002 S HN 0.438 nan 8.310 nan 0.000 0.526 1003 P HA 0.160 nan 4.420 nan 0.000 0.269 1003 P C -2.218 174.958 177.300 -0.206 0.000 1.209 1003 P CA -1.444 61.452 63.100 -0.342 0.000 0.776 1003 P CB -0.049 31.373 31.700 -0.464 0.000 0.876 1004 P HA 0.006 nan 4.420 nan 0.000 0.216 1004 P C -1.852 175.387 177.300 -0.102 0.000 1.153 1004 P CA 1.900 64.956 63.100 -0.074 0.000 0.848 1004 P CB -1.678 30.015 31.700 -0.011 0.000 0.787 1005 P HA 0.072 nan 4.420 nan 0.000 0.284 1005 P C -0.378 176.747 177.300 -0.292 0.000 1.258 1005 P CA -0.097 62.924 63.100 -0.131 0.000 0.824 1005 P CB 0.428 32.084 31.700 -0.073 0.000 1.038 1006 H N 1.720 120.700 119.070 -0.149 0.000 2.964 1006 H HA -0.002 4.557 4.556 0.006 0.000 0.328 1006 H C 1.200 176.372 175.328 -0.261 0.000 1.030 1006 H CA 0.548 56.533 56.048 -0.105 0.000 1.445 1006 H CB 0.487 30.223 29.762 -0.043 0.000 1.449 1006 H HN 0.543 nan 8.280 nan 0.000 0.581 1007 H N 1.980 120.945 119.070 -0.175 0.000 2.547 1007 H HA -0.061 4.498 4.556 0.005 0.000 0.266 1007 H C 0.824 175.715 175.328 -0.730 0.000 0.988 1007 H CA 0.390 56.141 56.048 -0.495 0.000 1.147 1007 H CB 0.323 29.677 29.762 -0.680 0.000 1.365 1007 H HN 0.634 nan 8.280 nan 0.000 0.589 1008 D N -0.026 120.123 120.400 -0.419 0.000 2.366 1008 D HA 0.118 4.761 4.640 0.005 0.000 0.205 1008 D C 0.203 176.268 176.300 -0.393 0.000 1.022 1008 D CA 0.331 54.025 54.000 -0.509 0.000 0.868 1008 D CB 0.736 41.467 40.800 -0.114 0.000 0.953 1008 D HN 0.248 nan 8.370 nan 0.000 0.514 1009 I N 0.795 121.187 120.570 -0.297 0.000 2.583 1009 I HA 0.155 4.328 4.170 0.005 0.000 0.276 1009 I C -0.479 175.672 176.117 0.055 0.000 1.089 1009 I CA -0.455 60.775 61.300 -0.116 0.000 1.103 1009 I CB 1.248 39.200 38.000 -0.080 0.000 1.209 1009 I HN -0.086 nan 8.210 nan 0.000 0.484 1010 Y N 3.254 123.582 120.300 0.047 0.000 2.584 1010 Y HA 0.280 4.834 4.550 0.006 0.000 0.254 1010 Y C 0.934 176.843 175.900 0.016 0.000 1.177 1010 Y CA -0.547 57.578 58.100 0.043 0.000 1.216 1010 Y CB 0.842 39.345 38.460 0.072 0.000 1.172 1010 Y HN 0.637 nan 8.280 nan 0.000 0.529 1011 S N -1.683 114.089 115.700 0.119 0.000 2.645 1011 S HA 0.097 4.570 4.470 0.005 0.000 0.268 1011 S C -0.112 174.441 174.600 -0.077 0.000 1.110 1011 S CA -0.830 57.378 58.200 0.013 0.000 0.823 1011 S CB 0.470 63.675 63.200 0.009 0.000 1.091 1011 S HN 0.020 nan 8.310 nan 0.000 0.466 1012 I N 2.006 122.457 120.570 -0.199 0.000 2.286 1012 I HA -0.100 4.073 4.170 0.005 0.000 0.248 1012 I C 2.499 178.408 176.117 -0.347 0.000 1.115 1012 I CA 2.365 63.457 61.300 -0.347 0.000 1.392 1012 I CB -0.646 36.986 38.000 -0.614 0.000 1.065 1012 I HN 0.861 nan 8.210 nan 0.000 0.418 1013 E N -0.210 119.814 120.200 -0.294 0.000 2.208 1013 E HA -0.228 4.126 4.350 0.005 0.000 0.193 1013 E C 1.345 177.952 176.600 0.012 0.000 0.988 1013 E CA 1.399 57.744 56.400 -0.091 0.000 0.828 1013 E CB -0.706 28.990 29.700 -0.007 0.000 0.763 1013 E HN 0.482 nan 8.360 nan 0.000 0.478 1014 D N 1.683 122.088 120.400 0.008 0.000 2.117 1014 D HA -0.104 4.540 4.640 0.005 0.000 0.198 1014 D C 2.101 178.398 176.300 -0.005 0.000 0.982 1014 D CA 0.521 54.548 54.000 0.045 0.000 0.828 1014 D CB -0.327 40.498 40.800 0.041 0.000 0.967 1014 D HN 0.146 nan 8.370 nan 0.000 0.464 1015 L N 1.034 122.231 121.223 -0.043 0.000 2.046 1015 L HA -0.150 4.193 4.340 0.005 0.000 0.208 1015 L C 2.149 179.017 176.870 -0.002 0.000 1.077 1015 L CA 1.627 56.433 54.840 -0.057 0.000 0.747 1015 L CB -0.675 41.338 42.059 -0.076 0.000 0.896 1015 L HN -0.059 nan 8.230 nan 0.000 0.432 1016 A N -0.430 122.411 122.820 0.034 0.000 1.978 1016 A HA -0.303 4.020 4.320 0.005 0.000 0.220 1016 A C 2.115 179.787 177.584 0.147 0.000 1.170 1016 A CA 1.972 54.080 52.037 0.118 0.000 0.636 1016 A CB -0.503 18.611 19.000 0.190 0.000 0.810 1016 A HN 0.621 nan 8.150 nan 0.000 0.448 1017 Q N -0.802 119.066 119.800 0.114 0.000 2.096 1017 Q HA -0.028 4.315 4.340 0.005 0.000 0.197 1017 Q C 1.820 177.904 176.000 0.140 0.000 0.964 1017 Q CA 1.430 57.311 55.803 0.130 0.000 0.838 1017 Q CB -0.494 28.331 28.738 0.145 0.000 0.906 1017 Q HN 0.459 nan 8.270 nan 0.000 0.444 1018 L N 0.037 121.290 121.223 0.049 0.000 2.042 1018 L HA -0.087 4.257 4.340 0.005 0.000 0.210 1018 L C 2.014 178.898 176.870 0.025 0.000 1.076 1018 L CA 1.710 56.556 54.840 0.010 0.000 0.749 1018 L CB -0.474 41.539 42.059 -0.076 0.000 0.893 1018 L HN 0.389 nan 8.230 nan 0.000 0.432 1019 I N -2.079 118.500 120.570 0.014 0.000 2.252 1019 I HA -0.328 3.845 4.170 0.005 0.000 0.245 1019 I C 2.294 178.402 176.117 -0.014 0.000 1.102 1019 I CA 1.363 62.620 61.300 -0.072 0.000 1.385 1019 I CB -0.413 37.562 38.000 -0.042 0.000 1.064 1019 I HN 0.291 nan 8.210 nan 0.000 0.414 1020 Y N 2.060 122.380 120.300 0.035 0.000 2.114 1020 Y HA -0.377 4.176 4.550 0.005 0.000 0.282 1020 Y C 2.214 178.162 175.900 0.079 0.000 1.165 1020 Y CA 2.065 60.226 58.100 0.101 0.000 1.148 1020 Y CB -0.192 38.330 38.460 0.103 0.000 0.972 1020 Y HN 0.254 nan 8.280 nan 0.000 0.504 1021 D N -0.192 120.366 120.400 0.263 0.000 2.178 1021 D HA -0.153 4.490 4.640 0.005 0.000 0.202 1021 D C 2.225 178.575 176.300 0.083 0.000 0.974 1021 D CA 1.283 55.406 54.000 0.205 0.000 0.841 1021 D CB -0.277 40.665 40.800 0.236 0.000 0.953 1021 D HN 0.420 nan 8.370 nan 0.000 0.478 1022 L N 0.188 121.408 121.223 -0.005 0.000 2.068 1022 L HA -0.094 4.249 4.340 0.005 0.000 0.204 1022 L C 2.333 179.153 176.870 -0.084 0.000 1.076 1022 L CA 0.816 55.597 54.840 -0.099 0.000 0.753 1022 L CB -0.456 41.498 42.059 -0.174 0.000 0.910 1022 L HN 0.080 nan 8.230 nan 0.000 0.439 1023 H N -0.405 118.616 119.070 -0.083 0.000 2.518 1023 H HA -0.181 4.379 4.556 0.006 0.000 0.289 1023 H C 2.130 177.357 175.328 -0.168 0.000 1.051 1023 H CA 1.187 57.160 56.048 -0.124 0.000 1.280 1023 H CB 0.055 29.737 29.762 -0.132 0.000 1.380 1023 H HN 0.340 nan 8.280 nan 0.000 0.566 1024 Q N 0.462 120.226 119.800 -0.060 0.000 2.033 1024 Q HA -0.001 4.342 4.340 0.005 0.000 0.196 1024 Q C 2.444 178.410 176.000 -0.056 0.000 0.970 1024 Q CA 0.892 56.635 55.803 -0.099 0.000 0.828 1024 Q CB -0.252 28.446 28.738 -0.068 0.000 0.895 1024 Q HN 0.451 nan 8.270 nan 0.000 0.440 1025 I N 0.010 120.552 120.570 -0.047 0.000 2.286 1025 I HA -0.152 4.021 4.170 0.005 0.000 0.248 1025 I C 0.142 176.199 176.117 -0.099 0.000 1.115 1025 I CA 0.889 62.142 61.300 -0.080 0.000 1.392 1025 I CB 0.307 38.208 38.000 -0.165 0.000 1.065 1025 I HN 0.175 nan 8.210 nan 0.000 0.418 1026 N N 0.276 118.920 118.700 -0.093 0.000 2.790 1026 N HA 0.219 4.962 4.740 0.005 0.000 0.256 1026 N C -1.997 173.484 175.510 -0.047 0.000 1.409 1026 N CA -1.798 51.199 53.050 -0.089 0.000 0.799 1026 N CB 0.894 39.308 38.487 -0.122 0.000 1.170 1026 N HN 0.028 nan 8.380 nan 0.000 0.507 1027 P HA -0.110 nan 4.420 nan 0.000 0.221 1027 P C 0.737 178.000 177.300 -0.061 0.000 1.145 1027 P CA 0.979 64.044 63.100 -0.058 0.000 0.795 1027 P CB 0.690 32.344 31.700 -0.078 0.000 0.775 1028 E N -0.403 119.759 120.200 -0.063 0.000 2.474 1028 E HA 0.141 4.494 4.350 0.005 0.000 0.194 1028 E C 0.455 177.020 176.600 -0.058 0.000 1.041 1028 E CA -0.182 56.178 56.400 -0.067 0.000 0.874 1028 E CB 0.167 29.824 29.700 -0.072 0.000 0.914 1028 E HN 0.100 nan 8.360 nan 0.000 0.498 1029 A N 1.252 124.048 122.820 -0.040 0.000 2.328 1029 A HA 0.277 4.600 4.320 0.005 0.000 0.284 1029 A C -0.021 177.565 177.584 0.004 0.000 1.160 1029 A CA -0.312 51.698 52.037 -0.045 0.000 0.818 1029 A CB 0.444 19.397 19.000 -0.078 0.000 1.087 1029 A HN 0.043 nan 8.150 nan 0.000 0.504 1030 Q N 0.710 120.491 119.800 -0.031 0.000 2.332 1030 Q HA 0.403 4.746 4.340 0.005 0.000 0.263 1030 Q C -0.616 175.359 176.000 -0.042 0.000 0.979 1030 Q CA 0.163 55.959 55.803 -0.013 0.000 0.885 1030 Q CB 1.239 29.939 28.738 -0.062 0.000 1.218 1030 Q HN 0.531 nan 8.270 nan 0.000 0.405 1031 V N 2.959 122.850 119.914 -0.039 0.000 2.394 1031 V HA 0.351 4.474 4.120 0.005 0.000 0.282 1031 V C -0.160 175.892 176.094 -0.071 0.000 1.031 1031 V CA -0.484 61.742 62.300 -0.124 0.000 0.881 1031 V CB 1.207 32.849 31.823 -0.301 0.000 0.982 1031 V HN 0.893 nan 8.190 nan 0.000 0.451 1032 S N 4.329 119.987 115.700 -0.070 0.000 2.638 1032 S HA 0.839 5.313 4.470 0.005 0.000 0.298 1032 S C -0.759 173.814 174.600 -0.044 0.000 1.111 1032 S CA -0.789 57.382 58.200 -0.049 0.000 1.027 1032 S CB 2.064 65.235 63.200 -0.049 0.000 1.064 1032 S HN 0.384 nan 8.310 nan 0.000 0.525 1033 V N 1.663 121.561 119.914 -0.026 0.000 2.483 1033 V HA 0.489 4.613 4.120 0.005 0.000 0.297 1033 V C -0.241 175.853 176.094 -0.000 0.000 1.027 1033 V CA -0.746 61.540 62.300 -0.022 0.000 0.855 1033 V CB 1.505 33.316 31.823 -0.019 0.000 0.995 1033 V HN 0.995 nan 8.190 nan 0.000 0.424 1034 K N 5.735 126.139 120.400 0.008 0.000 2.264 1034 K HA 0.664 4.987 4.320 0.005 0.000 0.277 1034 K C -1.060 175.572 176.600 0.053 0.000 1.067 1034 K CA -0.380 55.924 56.287 0.028 0.000 0.900 1034 K CB 0.585 33.102 32.500 0.030 0.000 1.124 1034 K HN 0.635 nan 8.250 nan 0.000 0.469 1035 L N 3.290 124.556 121.223 0.072 0.000 2.332 1035 L HA 0.560 4.903 4.340 0.005 0.000 0.269 1035 L C -0.453 176.505 176.870 0.147 0.000 1.016 1035 L CA -1.503 53.408 54.840 0.119 0.000 0.809 1035 L CB 1.895 44.025 42.059 0.117 0.000 1.280 1035 L HN 0.291 nan 8.230 nan 0.000 0.447 1036 V N 0.699 120.751 119.914 0.231 0.000 2.547 1036 V HA 0.479 4.602 4.120 0.005 0.000 0.299 1036 V C 0.360 176.672 176.094 0.363 0.000 1.040 1036 V CA -0.883 61.578 62.300 0.268 0.000 0.913 1036 V CB 1.688 33.604 31.823 0.156 0.000 0.992 1036 V HN 0.865 nan 8.190 nan 0.000 0.449 1037 A N 4.525 127.523 122.820 0.297 0.000 2.548 1037 A HA 0.499 4.822 4.320 0.005 0.000 0.247 1037 A C 0.271 178.014 177.584 0.265 0.000 1.067 1037 A CA 0.354 52.543 52.037 0.253 0.000 0.757 1037 A CB -0.220 18.928 19.000 0.247 0.000 0.996 1037 A HN 1.077 nan 8.150 nan 0.000 0.504 1038 E N 1.659 121.944 120.200 0.140 0.000 2.392 1038 E HA 0.389 4.742 4.350 0.005 0.000 0.281 1038 E C -1.094 175.501 176.600 -0.010 0.000 1.088 1038 E CA -1.036 55.388 56.400 0.040 0.000 0.850 1038 E CB 0.403 30.009 29.700 -0.157 0.000 1.267 1038 E HN 0.529 nan 8.360 nan 0.000 0.438 1039 I N 1.703 122.260 120.570 -0.022 0.000 2.752 1039 I HA 0.327 4.500 4.170 0.005 0.000 0.289 1039 I C 1.250 177.336 176.117 -0.052 0.000 1.197 1039 I CA 2.175 63.462 61.300 -0.023 0.000 1.432 1039 I CB 0.303 38.296 38.000 -0.011 0.000 1.359 1039 I HN 0.893 nan 8.210 nan 0.000 0.571 1040 G N 5.831 114.614 108.800 -0.029 0.000 2.195 1040 G HA2 -0.278 3.686 3.960 0.005 0.000 0.224 1040 G HA3 -0.278 3.686 3.960 0.005 0.000 0.224 1040 G C 1.005 175.893 174.900 -0.019 0.000 0.990 1040 G CA 0.304 45.385 45.100 -0.032 0.000 0.639 1040 G HN 0.683 nan 8.290 nan 0.000 0.514 1041 I N 1.405 121.972 120.570 -0.004 0.000 2.394 1041 I HA 0.047 4.220 4.170 0.005 0.000 0.251 1041 I C 2.649 178.787 176.117 0.035 0.000 1.136 1041 I CA 2.087 63.403 61.300 0.026 0.000 1.425 1041 I CB -0.436 37.602 38.000 0.063 0.000 1.079 1041 I HN 0.272 nan 8.210 nan 0.000 0.425 1042 G N -0.007 108.811 108.800 0.031 0.000 2.587 1042 G HA2 -0.334 3.629 3.960 0.005 0.000 0.217 1042 G HA3 -0.334 3.629 3.960 0.005 0.000 0.217 1042 G C 1.498 176.414 174.900 0.026 0.000 1.240 1042 G CA 1.499 46.616 45.100 0.028 0.000 0.794 1042 G HN 0.310 nan 8.290 nan 0.000 0.580 1043 T N 1.224 115.790 114.554 0.020 0.000 2.624 1043 T HA -0.186 4.168 4.350 0.005 0.000 0.268 1043 T C 2.411 177.128 174.700 0.028 0.000 1.041 1043 T CA 1.556 63.670 62.100 0.024 0.000 1.159 1043 T CB -0.301 68.577 68.868 0.017 0.000 0.863 1043 T HN 0.264 nan 8.240 nan 0.000 0.434 1044 I N 0.985 121.566 120.570 0.018 0.000 2.151 1044 I HA -0.257 3.916 4.170 0.005 0.000 0.243 1044 I C 2.819 178.954 176.117 0.029 0.000 1.080 1044 I CA 1.409 62.719 61.300 0.015 0.000 1.339 1044 I CB -0.462 37.545 38.000 0.011 0.000 1.039 1044 I HN 0.222 nan 8.210 nan 0.000 0.409 1045 A N 0.537 123.381 122.820 0.039 0.000 1.933 1045 A HA -0.162 4.161 4.320 0.005 0.000 0.218 1045 A C 2.546 180.164 177.584 0.056 0.000 1.175 1045 A CA 1.773 53.839 52.037 0.049 0.000 0.628 1045 A CB -0.867 18.165 19.000 0.054 0.000 0.814 1045 A HN 0.448 nan 8.150 nan 0.000 0.444 1046 A N -0.341 122.511 122.820 0.054 0.000 1.908 1046 A HA 0.039 4.362 4.320 0.005 0.000 0.218 1046 A C 2.430 180.077 177.584 0.104 0.000 1.181 1046 A CA 2.102 54.179 52.037 0.067 0.000 0.627 1046 A CB -1.459 17.575 19.000 0.057 0.000 0.818 1046 A HN 0.764 nan 8.150 nan 0.000 0.445 1047 G N -0.680 108.181 108.800 0.101 0.000 2.440 1047 G HA2 -0.134 3.829 3.960 0.005 0.000 0.218 1047 G HA3 -0.134 3.829 3.960 0.005 0.000 0.218 1047 G C 1.511 176.482 174.900 0.119 0.000 1.154 1047 G CA 1.253 46.431 45.100 0.129 0.000 0.767 1047 G HN 0.343 nan 8.290 nan 0.000 0.552 1048 V N 1.436 121.391 119.914 0.068 0.000 2.407 1048 V HA -0.121 4.002 4.120 0.005 0.000 0.248 1048 V C 3.288 179.438 176.094 0.093 0.000 1.055 1048 V CA 2.004 64.340 62.300 0.061 0.000 1.049 1048 V CB -0.719 31.129 31.823 0.041 0.000 0.662 1048 V HN 0.489 nan 8.190 nan 0.000 0.455 1049 A N -0.352 122.526 122.820 0.096 0.000 1.898 1049 A HA -0.205 4.118 4.320 0.005 0.000 0.216 1049 A C 2.271 179.909 177.584 0.090 0.000 1.181 1049 A CA 1.752 53.845 52.037 0.094 0.000 0.620 1049 A CB -0.414 18.636 19.000 0.084 0.000 0.819 1049 A HN 0.514 nan 8.150 nan 0.000 0.442 1050 K N -0.220 120.258 120.400 0.130 0.000 2.209 1050 K HA -0.021 4.302 4.320 0.005 0.000 0.204 1050 K C 1.806 178.530 176.600 0.205 0.000 1.048 1050 K CA 0.936 57.309 56.287 0.142 0.000 0.940 1050 K CB -0.239 32.382 32.500 0.203 0.000 0.729 1050 K HN 0.438 nan 8.250 nan 0.000 0.451 1051 A N 0.823 123.792 122.820 0.247 0.000 2.235 1051 A HA -0.064 4.259 4.320 0.005 0.000 0.208 1051 A C 0.527 178.213 177.584 0.171 0.000 1.172 1051 A CA 0.514 52.687 52.037 0.226 0.000 0.786 1051 A CB -0.532 18.555 19.000 0.145 0.000 0.804 1051 A HN 0.600 nan 8.150 nan 0.000 0.479 1052 N N -2.959 115.817 118.700 0.127 0.000 2.952 1052 N HA -0.161 4.583 4.740 0.005 0.000 0.245 1052 N C 0.262 175.947 175.510 0.292 0.000 1.029 1052 N CA 0.078 53.209 53.050 0.134 0.000 0.870 1052 N CB -1.362 37.240 38.487 0.192 0.000 1.121 1052 N HN 0.666 nan 8.380 nan 0.000 0.559 1053 A N 0.129 123.076 122.820 0.212 0.000 2.406 1053 A HA 0.177 4.501 4.320 0.005 0.000 0.243 1053 A C 0.910 178.666 177.584 0.287 0.000 1.082 1053 A CA 0.403 52.555 52.037 0.192 0.000 0.786 1053 A CB 0.264 19.315 19.000 0.086 0.000 1.029 1053 A HN 0.353 nan 8.150 nan 0.000 0.495 1054 D N -0.445 120.048 120.400 0.156 0.000 2.380 1054 D HA 0.230 4.873 4.640 0.005 0.000 0.212 1054 D C -0.122 176.154 176.300 -0.041 0.000 1.021 1054 D CA 1.105 55.124 54.000 0.033 0.000 0.884 1054 D CB 0.378 41.146 40.800 -0.053 0.000 1.001 1054 D HN 0.474 nan 8.370 nan 0.000 0.506 1055 I N 0.975 121.529 120.570 -0.026 0.000 2.692 1055 I HA 0.290 4.464 4.170 0.005 0.000 0.293 1055 I C -1.093 175.010 176.117 -0.022 0.000 1.200 1055 I CA -0.626 60.638 61.300 -0.061 0.000 1.036 1055 I CB 3.148 41.098 38.000 -0.084 0.000 1.258 1055 I HN -0.312 nan 8.210 nan 0.000 0.421 1056 I N 4.848 125.409 120.570 -0.015 0.000 2.382 1056 I HA 0.320 4.493 4.170 0.005 0.000 0.286 1056 I C -0.236 175.877 176.117 -0.006 0.000 1.002 1056 I CA -0.422 60.880 61.300 0.005 0.000 1.135 1056 I CB 1.670 39.689 38.000 0.032 0.000 1.288 1056 I HN 0.542 nan 8.210 nan 0.000 0.448 1057 Q N 5.930 125.726 119.800 -0.006 0.000 2.261 1057 Q HA 0.540 4.883 4.340 0.005 0.000 0.252 1057 Q C -1.142 174.871 176.000 0.020 0.000 0.915 1057 Q CA -0.543 55.254 55.803 -0.010 0.000 0.915 1057 Q CB 1.456 30.185 28.738 -0.014 0.000 1.204 1057 Q HN 0.536 nan 8.270 nan 0.000 0.421 1058 I N 2.229 122.809 120.570 0.017 0.000 2.382 1058 I HA 0.211 4.384 4.170 0.005 0.000 0.285 1058 I C -0.468 175.688 176.117 0.065 0.000 1.007 1058 I CA -0.183 61.158 61.300 0.068 0.000 1.142 1058 I CB 1.968 40.028 38.000 0.100 0.000 1.289 1058 I HN 0.380 nan 8.210 nan 0.000 0.453 1059 S N 3.882 119.642 115.700 0.100 0.000 2.475 1059 S HA 0.589 5.062 4.470 0.005 0.000 0.281 1059 S C 0.443 175.167 174.600 0.207 0.000 1.198 1059 S CA -0.658 57.609 58.200 0.112 0.000 1.063 1059 S CB 1.299 64.546 63.200 0.079 0.000 0.972 1059 S HN 0.766 nan 8.310 nan 0.000 0.486 1060 G N 1.305 110.277 108.800 0.287 0.000 2.507 1060 G HA2 0.240 4.203 3.960 0.005 0.000 0.271 1060 G HA3 0.240 4.203 3.960 0.005 0.000 0.271 1060 G C 0.954 176.011 174.900 0.263 0.000 1.189 1060 G CA -0.497 44.838 45.100 0.392 0.000 0.859 1060 G HN 0.929 nan 8.290 nan 0.000 0.542 1061 H N 0.112 119.268 119.070 0.144 0.000 2.489 1061 H HA -0.114 4.445 4.556 0.005 0.000 0.295 1061 H C 1.385 176.757 175.328 0.074 0.000 1.082 1061 H CA 1.440 57.543 56.048 0.091 0.000 1.295 1061 H CB -0.230 29.579 29.762 0.077 0.000 1.380 1061 H HN 0.479 nan 8.280 nan 0.000 0.548 1062 D N 1.541 121.568 120.400 -0.622 0.000 2.133 1062 D HA -0.058 4.585 4.640 0.005 0.000 0.195 1062 D C 1.338 177.563 176.300 -0.125 0.000 0.997 1062 D CA 1.303 55.031 54.000 -0.454 0.000 0.840 1062 D CB -0.684 40.036 40.800 -0.133 0.000 0.947 1062 D HN 0.582 nan 8.370 nan 0.000 0.452 1063 G N -0.921 107.861 108.800 -0.029 0.000 2.614 1063 G HA2 0.398 4.362 3.960 0.005 0.000 0.239 1063 G HA3 0.398 4.362 3.960 0.005 0.000 0.239 1063 G C 0.611 175.515 174.900 0.006 0.000 1.240 1063 G CA 0.022 45.130 45.100 0.014 0.000 0.842 1063 G HN 0.276 nan 8.290 nan 0.000 0.584 1064 G N -1.341 107.471 108.800 0.021 0.000 2.683 1064 G HA2 0.495 4.459 3.960 0.005 0.000 0.260 1064 G HA3 0.495 4.459 3.960 0.005 0.000 0.260 1064 G C -0.023 174.881 174.900 0.005 0.000 1.238 1064 G CA 0.689 45.796 45.100 0.012 0.000 0.934 1064 G HN 1.063 nan 8.290 nan 0.000 0.534 1065 T N -2.857 111.692 114.554 -0.008 0.000 2.893 1065 T HA 0.464 4.818 4.350 0.005 0.000 0.337 1065 T C 0.914 175.600 174.700 -0.023 0.000 1.587 1065 T CA 0.577 62.672 62.100 -0.009 0.000 1.066 1065 T CB 0.963 69.823 68.868 -0.013 0.000 1.414 1065 T HN 0.992 nan 8.240 nan 0.000 0.488 1066 G N 0.769 109.566 108.800 -0.005 0.000 2.777 1066 G HA2 0.543 4.506 3.960 0.005 0.000 0.211 1066 G HA3 0.543 4.506 3.960 0.005 0.000 0.211 1066 G C 0.431 175.337 174.900 0.010 0.000 1.149 1066 G CA 0.391 45.491 45.100 0.000 0.000 0.785 1066 G HN 1.392 nan 8.290 nan 0.000 0.536 1067 A N -0.700 122.116 122.820 -0.006 0.000 2.549 1067 A HA 0.656 4.979 4.320 0.005 0.000 0.306 1067 A C -0.752 176.823 177.584 -0.014 0.000 1.053 1067 A CA -0.305 51.727 52.037 -0.010 0.000 0.892 1067 A CB 0.648 19.681 19.000 0.055 0.000 1.329 1067 A HN 0.379 nan 8.150 nan 0.000 0.388 1068 S N 1.926 117.608 115.700 -0.030 0.000 2.570 1068 S HA 0.808 5.281 4.470 0.005 0.000 0.270 1068 S C -3.110 171.500 174.600 0.016 0.000 1.149 1068 S CA -1.125 57.075 58.200 -0.000 0.000 0.837 1068 S CB 2.137 65.337 63.200 0.001 0.000 1.124 1068 S HN 0.514 nan 8.310 nan 0.000 0.465 1069 P HA 0.092 nan 4.420 nan 0.000 0.265 1069 P C 0.804 178.137 177.300 0.053 0.000 1.193 1069 P CA -0.286 62.839 63.100 0.042 0.000 0.765 1069 P CB 0.345 32.071 31.700 0.042 0.000 0.823 1070 L N 4.538 125.798 121.223 0.062 0.000 2.013 1070 L HA -0.260 4.084 4.340 0.005 0.000 0.212 1070 L C 2.138 179.019 176.870 0.017 0.000 1.073 1070 L CA 2.656 57.525 54.840 0.049 0.000 0.753 1070 L CB -1.544 40.508 42.059 -0.012 0.000 0.890 1070 L HN 0.426 nan 8.230 nan 0.000 0.432 1071 S N -2.265 113.466 115.700 0.051 0.000 2.382 1071 S HA -0.167 4.306 4.470 0.005 0.000 0.228 1071 S C 1.980 176.643 174.600 0.105 0.000 1.027 1071 S CA 1.304 59.579 58.200 0.126 0.000 0.991 1071 S CB -0.843 62.457 63.200 0.168 0.000 0.823 1071 S HN 0.513 nan 8.310 nan 0.000 0.469 1072 S N 2.193 117.936 115.700 0.072 0.000 2.368 1072 S HA 0.112 4.586 4.470 0.005 0.000 0.224 1072 S C 1.801 176.415 174.600 0.024 0.000 1.029 1072 S CA 1.241 59.477 58.200 0.059 0.000 0.988 1072 S CB -0.558 62.664 63.200 0.037 0.000 0.838 1072 S HN 0.490 nan 8.310 nan 0.000 0.462 1073 I N 1.446 122.022 120.570 0.010 0.000 2.208 1073 I HA -0.218 3.956 4.170 0.005 0.000 0.245 1073 I C 2.160 178.249 176.117 -0.046 0.000 1.097 1073 I CA 1.201 62.503 61.300 0.004 0.000 1.363 1073 I CB -0.156 37.875 38.000 0.051 0.000 1.051 1073 I HN 0.134 nan 8.210 nan 0.000 0.413 1074 K N -0.692 119.603 120.400 -0.176 0.000 2.361 1074 K HA 0.060 4.383 4.320 0.005 0.000 0.196 1074 K C 0.942 177.201 176.600 -0.569 0.000 1.039 1074 K CA 0.870 56.906 56.287 -0.419 0.000 1.001 1074 K CB 0.147 32.252 32.500 -0.659 0.000 0.795 1074 K HN 0.494 nan 8.250 nan 0.000 0.495 1075 H N -1.713 117.319 119.070 -0.064 0.000 3.540 1075 H HA 0.308 4.867 4.556 0.005 0.000 0.259 1075 H C -0.245 175.133 175.328 0.084 0.000 1.197 1075 H CA -0.248 55.722 56.048 -0.131 0.000 1.136 1075 H CB 0.942 30.365 29.762 -0.565 0.000 1.605 1075 H HN -0.039 nan 8.280 nan 0.000 0.657 1076 A N 1.034 123.973 122.820 0.198 0.000 2.318 1076 A HA 0.663 4.987 4.320 0.005 0.000 0.317 1076 A C 0.537 178.245 177.584 0.205 0.000 1.159 1076 A CA -0.102 52.066 52.037 0.219 0.000 0.799 1076 A CB 0.921 20.002 19.000 0.136 0.000 1.194 1076 A HN 0.422 nan 8.150 nan 0.000 0.479 1077 G N 0.984 109.978 108.800 0.323 0.000 2.617 1077 G HA2 0.310 4.273 3.960 0.005 0.000 0.686 1077 G HA3 0.310 4.273 3.960 0.005 0.000 0.686 1077 G C -0.436 174.610 174.900 0.243 0.000 1.214 1077 G CA -0.330 44.982 45.100 0.353 0.000 0.796 1077 G HN 1.257 nan 8.290 nan 0.000 0.654 1078 S N 2.005 117.833 115.700 0.213 0.000 2.704 1078 S HA 0.846 5.319 4.470 0.005 0.000 0.305 1078 S C -2.436 172.198 174.600 0.056 0.000 1.107 1078 S CA -1.146 57.073 58.200 0.032 0.000 0.993 1078 S CB 2.055 65.287 63.200 0.054 0.000 1.110 1078 S HN 0.671 nan 8.310 nan 0.000 0.534 1079 P HA -0.011 nan 4.420 nan 0.000 0.266 1079 P C 0.910 178.266 177.300 0.093 0.000 1.193 1079 P CA -0.131 62.973 63.100 0.008 0.000 0.770 1079 P CB 0.205 31.800 31.700 -0.176 0.000 0.836 1080 W N 2.442 123.836 121.300 0.157 0.000 2.467 1080 W HA -0.080 4.583 4.660 0.005 0.000 0.275 1080 W C 0.673 177.240 176.519 0.081 0.000 1.239 1080 W CA 0.512 57.923 57.345 0.111 0.000 1.266 1080 W CB -1.106 28.413 29.460 0.098 0.000 1.112 1080 W HN 0.299 nan 8.180 nan 0.000 0.576 1081 E N 1.782 121.778 120.200 -0.339 0.000 2.058 1081 E HA -0.202 4.151 4.350 0.005 0.000 0.194 1081 E C 2.338 178.943 176.600 0.007 0.000 0.997 1081 E CA 2.325 58.576 56.400 -0.249 0.000 0.801 1081 E CB -0.853 28.560 29.700 -0.479 0.000 0.746 1081 E HN 0.265 nan 8.360 nan 0.000 0.450 1082 L N -0.123 121.091 121.223 -0.016 0.000 2.131 1082 L HA -0.098 4.245 4.340 0.005 0.000 0.210 1082 L C 2.353 179.277 176.870 0.090 0.000 1.092 1082 L CA 1.146 56.002 54.840 0.026 0.000 0.759 1082 L CB -0.587 41.472 42.059 -0.000 0.000 0.903 1082 L HN 0.273 nan 8.230 nan 0.000 0.435 1083 G N -0.669 108.221 108.800 0.152 0.000 2.404 1083 G HA2 -0.134 3.830 3.960 0.005 0.000 0.213 1083 G HA3 -0.134 3.830 3.960 0.005 0.000 0.213 1083 G C 1.582 176.593 174.900 0.185 0.000 1.189 1083 G CA 0.630 45.836 45.100 0.177 0.000 0.796 1083 G HN 0.124 nan 8.290 nan 0.000 0.532 1084 V N 0.834 120.900 119.914 0.254 0.000 2.261 1084 V HA -0.198 3.925 4.120 0.005 0.000 0.246 1084 V C 3.106 179.313 176.094 0.187 0.000 1.047 1084 V CA 2.411 64.844 62.300 0.222 0.000 1.015 1084 V CB -1.006 30.995 31.823 0.296 0.000 0.642 1084 V HN 0.371 nan 8.190 nan 0.000 0.446 1085 T N -0.652 114.011 114.554 0.181 0.000 2.624 1085 T HA -0.311 4.042 4.350 0.005 0.000 0.268 1085 T C 1.935 176.709 174.700 0.124 0.000 1.041 1085 T CA 2.256 64.445 62.100 0.148 0.000 1.159 1085 T CB -0.265 68.668 68.868 0.108 0.000 0.863 1085 T HN 0.659 nan 8.240 nan 0.000 0.434 1086 E N -0.074 120.183 120.200 0.096 0.000 2.077 1086 E HA -0.119 4.234 4.350 0.005 0.000 0.193 1086 E C 2.258 178.893 176.600 0.059 0.000 0.989 1086 E CA 1.107 57.544 56.400 0.063 0.000 0.800 1086 E CB -0.038 29.695 29.700 0.055 0.000 0.746 1086 E HN 0.300 nan 8.360 nan 0.000 0.452 1087 V N 0.456 120.421 119.914 0.086 0.000 2.307 1087 V HA -0.233 3.890 4.120 0.005 0.000 0.245 1087 V C 2.342 178.479 176.094 0.071 0.000 1.045 1087 V CA 2.242 64.588 62.300 0.077 0.000 1.024 1087 V CB -0.768 31.112 31.823 0.094 0.000 0.651 1087 V HN 0.435 nan 8.190 nan 0.000 0.449 1088 H N 0.827 119.895 119.070 -0.004 0.000 2.290 1088 H HA -0.200 4.360 4.556 0.005 0.000 0.298 1088 H C 2.474 177.738 175.328 -0.105 0.000 1.087 1088 H CA 2.493 58.504 56.048 -0.061 0.000 1.291 1088 H CB -0.207 29.517 29.762 -0.062 0.000 1.369 1088 H HN 0.234 nan 8.280 nan 0.000 0.492 1089 R N 0.146 120.556 120.500 -0.150 0.000 2.070 1089 R HA -0.115 4.228 4.340 0.005 0.000 0.233 1089 R C 2.183 178.381 176.300 -0.170 0.000 1.137 1089 R CA 1.866 57.843 56.100 -0.206 0.000 0.945 1089 R CB -0.552 29.707 30.300 -0.069 0.000 0.845 1089 R HN 0.335 nan 8.270 nan 0.000 0.430 1090 V N 1.945 121.807 119.914 -0.086 0.000 2.261 1090 V HA -0.270 3.854 4.120 0.005 0.000 0.246 1090 V C 2.593 178.645 176.094 -0.071 0.000 1.047 1090 V CA 1.861 64.127 62.300 -0.057 0.000 1.015 1090 V CB -0.498 31.315 31.823 -0.016 0.000 0.642 1090 V HN 0.333 nan 8.190 nan 0.000 0.446 1091 L N -1.062 120.117 121.223 -0.074 0.000 1.978 1091 L HA -0.290 4.053 4.340 0.005 0.000 0.218 1091 L C 2.694 179.487 176.870 -0.127 0.000 1.075 1091 L CA 1.877 56.675 54.840 -0.070 0.000 0.767 1091 L CB -0.662 41.375 42.059 -0.037 0.000 0.890 1091 L HN 0.309 nan 8.230 nan 0.000 0.434 1092 M N -0.695 118.747 119.600 -0.263 0.000 2.108 1092 M HA -0.214 4.269 4.480 0.005 0.000 0.261 1092 M C 1.987 178.177 176.300 -0.182 0.000 1.066 1092 M CA 1.758 56.871 55.300 -0.311 0.000 1.107 1092 M CB -0.821 31.447 32.600 -0.555 0.000 1.356 1092 M HN 0.327 nan 8.290 nan 0.000 0.406 1093 E N -0.466 119.644 120.200 -0.149 0.000 2.435 1093 E HA -0.023 4.331 4.350 0.005 0.000 0.195 1093 E C 1.190 177.757 176.600 -0.055 0.000 1.029 1093 E CA 0.191 56.535 56.400 -0.092 0.000 0.865 1093 E CB 0.088 29.740 29.700 -0.080 0.000 0.833 1093 E HN 0.510 nan 8.360 nan 0.000 0.510 1094 N N 0.634 119.303 118.700 -0.052 0.000 2.236 1094 N HA -0.025 4.719 4.740 0.005 0.000 0.196 1094 N C -0.434 175.065 175.510 -0.019 0.000 1.114 1094 N CA 0.199 53.233 53.050 -0.026 0.000 0.859 1094 N CB 0.759 39.238 38.487 -0.014 0.000 0.982 1094 N HN 0.026 nan 8.380 nan 0.000 0.493 1095 Q N -0.230 119.553 119.800 -0.028 0.000 2.487 1095 Q HA -0.164 4.179 4.340 0.005 0.000 0.279 1095 Q C 0.429 176.438 176.000 0.014 0.000 1.228 1095 Q CA 0.611 56.411 55.803 -0.006 0.000 0.873 1095 Q CB -2.190 26.550 28.738 0.003 0.000 1.260 1095 Q HN 0.453 nan 8.270 nan 0.000 0.471 1096 L N -1.012 120.218 121.223 0.012 0.000 2.766 1096 L HA 0.172 4.516 4.340 0.005 0.000 0.242 1096 L C 2.077 178.994 176.870 0.079 0.000 1.136 1096 L CA -0.108 54.756 54.840 0.040 0.000 0.933 1096 L CB 0.057 42.136 42.059 0.034 0.000 1.241 1096 L HN 0.005 nan 8.230 nan 0.000 0.522 1097 R N 1.452 121.995 120.500 0.072 0.000 2.115 1097 R HA -0.157 4.186 4.340 0.005 0.000 0.230 1097 R C 1.799 178.272 176.300 0.289 0.000 1.111 1097 R CA 1.783 57.958 56.100 0.125 0.000 0.976 1097 R CB -0.272 30.023 30.300 -0.008 0.000 0.870 1097 R HN 0.445 nan 8.270 nan 0.000 0.445 1098 D N -0.512 120.049 120.400 0.268 0.000 2.363 1098 D HA -0.121 4.523 4.640 0.005 0.000 0.220 1098 D C 0.966 177.489 176.300 0.371 0.000 0.994 1098 D CA 0.468 54.640 54.000 0.287 0.000 0.890 1098 D CB -0.227 40.674 40.800 0.167 0.000 0.906 1098 D HN 0.253 nan 8.370 nan 0.000 0.530 1099 R N 0.393 121.063 120.500 0.282 0.000 2.189 1099 R HA 0.045 4.389 4.340 0.005 0.000 0.223 1099 R C 0.815 177.331 176.300 0.360 0.000 1.092 1099 R CA 0.750 57.029 56.100 0.298 0.000 0.989 1099 R CB 0.028 30.412 30.300 0.141 0.000 0.876 1099 R HN 0.285 nan 8.270 nan 0.000 0.457 1100 V N -2.254 117.806 119.914 0.244 0.000 3.049 1100 V HA 0.412 4.535 4.120 0.005 0.000 0.309 1100 V C -0.772 175.211 176.094 -0.186 0.000 1.148 1100 V CA -1.468 60.855 62.300 0.038 0.000 0.990 1100 V CB 2.278 34.147 31.823 0.077 0.000 1.039 1100 V HN -0.157 nan 8.190 nan 0.000 0.430 1101 L N 4.208 125.188 121.223 -0.404 0.000 2.292 1101 L HA 0.616 4.959 4.340 0.005 0.000 0.284 1101 L C -0.614 176.197 176.870 -0.098 0.000 1.065 1101 L CA -0.321 54.306 54.840 -0.356 0.000 0.806 1101 L CB 0.968 42.782 42.059 -0.408 0.000 1.175 1101 L HN 0.802 nan 8.230 nan 0.000 0.431 1102 L N 5.595 126.815 121.223 -0.004 0.000 2.289 1102 L HA 0.532 4.875 4.340 0.005 0.000 0.285 1102 L C 0.023 176.847 176.870 -0.076 0.000 1.049 1102 L CA -0.496 54.343 54.840 -0.000 0.000 0.804 1102 L CB 1.571 43.670 42.059 0.067 0.000 1.195 1102 L HN 0.660 nan 8.230 nan 0.000 0.428 1103 R N 2.229 122.675 120.500 -0.091 0.000 2.750 1103 R HA 0.832 5.175 4.340 0.005 0.000 0.281 1103 R C -1.404 174.816 176.300 -0.134 0.000 0.972 1103 R CA -0.355 55.653 56.100 -0.154 0.000 0.912 1103 R CB 2.141 32.361 30.300 -0.133 0.000 1.187 1103 R HN 0.739 nan 8.270 nan 0.000 0.464 1104 A N 2.477 125.177 122.820 -0.199 0.000 2.401 1104 A HA 0.634 4.958 4.320 0.005 0.000 0.310 1104 A C -1.629 175.759 177.584 -0.328 0.000 1.075 1104 A CA -0.620 51.253 52.037 -0.274 0.000 0.746 1104 A CB 1.481 20.212 19.000 -0.450 0.000 1.277 1104 A HN 0.857 nan 8.150 nan 0.000 0.425 1105 D N -0.885 119.326 120.400 -0.316 0.000 2.626 1105 D HA 0.699 5.343 4.640 0.005 0.000 0.278 1105 D C -0.348 175.852 176.300 -0.168 0.000 1.211 1105 D CA -0.019 53.810 54.000 -0.284 0.000 0.903 1105 D CB 1.159 41.872 40.800 -0.144 0.000 1.408 1105 D HN 1.891 nan 8.370 nan 0.000 0.454 1106 G N -1.472 107.306 108.800 -0.037 0.000 3.220 1106 G HA2 0.491 4.455 3.960 0.005 0.000 0.636 1106 G HA3 0.491 4.455 3.960 0.005 0.000 0.636 1106 G C 0.711 175.757 174.900 0.244 0.000 1.226 1106 G CA 0.276 45.464 45.100 0.147 0.000 1.177 1106 G HN 1.781 nan 8.290 nan 0.000 0.527 1107 G N 0.122 109.020 108.800 0.164 0.000 2.233 1107 G HA2 -0.190 3.773 3.960 0.005 0.000 0.270 1107 G HA3 -0.190 3.773 3.960 0.005 0.000 0.270 1107 G C 0.660 175.705 174.900 0.241 0.000 1.011 1107 G CA 0.822 46.042 45.100 0.200 0.000 0.762 1107 G HN 1.513 nan 8.290 nan 0.000 0.511 1108 L N -1.131 120.172 121.223 0.133 0.000 2.367 1108 L HA 0.458 4.801 4.340 0.005 0.000 0.275 1108 L C 1.265 178.319 176.870 0.306 0.000 1.129 1108 L CA 0.071 54.972 54.840 0.103 0.000 0.839 1108 L CB 1.198 43.066 42.059 -0.318 0.000 1.133 1108 L HN 0.156 nan 8.230 nan 0.000 0.453 1109 K N 0.358 121.023 120.400 0.442 0.000 2.529 1109 K HA 0.200 4.523 4.320 0.005 0.000 0.215 1109 K C 0.017 176.980 176.600 0.604 0.000 1.286 1109 K CA 0.040 56.673 56.287 0.576 0.000 0.997 1109 K CB 1.394 34.163 32.500 0.448 0.000 1.063 1109 K HN 0.509 nan 8.250 nan 0.000 0.590 1110 T N -1.269 113.589 114.554 0.506 0.000 2.956 1110 T HA 0.307 4.661 4.350 0.005 0.000 0.312 1110 T C 0.724 175.663 174.700 0.398 0.000 1.151 1110 T CA -0.414 61.948 62.100 0.436 0.000 1.024 1110 T CB 1.720 70.830 68.868 0.405 0.000 1.140 1110 T HN 0.171 nan 8.240 nan 0.000 0.473 1111 G N 1.114 110.123 108.800 0.349 0.000 2.469 1111 G HA2 -0.207 3.757 3.960 0.005 0.000 0.220 1111 G HA3 -0.207 3.757 3.960 0.005 0.000 0.220 1111 G C 1.299 176.397 174.900 0.330 0.000 1.136 1111 G CA 1.038 46.320 45.100 0.303 0.000 0.759 1111 G HN 0.814 nan 8.290 nan 0.000 0.562 1112 W N 1.675 123.104 121.300 0.215 0.000 2.317 1112 W HA -0.141 4.522 4.660 0.005 0.000 0.318 1112 W C 2.096 178.765 176.519 0.250 0.000 1.227 1112 W CA 1.795 59.294 57.345 0.257 0.000 1.269 1112 W CB -0.044 29.546 29.460 0.217 0.000 1.155 1112 W HN 0.162 nan 8.180 nan 0.000 0.484 1113 D N -0.103 120.569 120.400 0.454 0.000 2.123 1113 D HA -0.210 4.433 4.640 0.005 0.000 0.196 1113 D C 2.305 178.648 176.300 0.071 0.000 0.992 1113 D CA 2.052 56.219 54.000 0.279 0.000 0.833 1113 D CB -0.757 40.279 40.800 0.393 0.000 0.954 1113 D HN 0.159 nan 8.370 nan 0.000 0.455 1114 V N 0.549 120.489 119.914 0.043 0.000 2.343 1114 V HA -0.201 3.922 4.120 0.005 0.000 0.247 1114 V C 2.614 178.564 176.094 -0.241 0.000 1.051 1114 V CA 1.040 63.213 62.300 -0.212 0.000 1.036 1114 V CB -0.281 31.463 31.823 -0.131 0.000 0.654 1114 V HN 0.064 nan 8.190 nan 0.000 0.451 1115 V N -0.912 118.950 119.914 -0.086 0.000 2.379 1115 V HA -0.234 3.890 4.120 0.005 0.000 0.245 1115 V C 2.493 178.586 176.094 -0.001 0.000 1.044 1115 V CA 1.585 63.859 62.300 -0.042 0.000 1.036 1115 V CB -0.494 31.327 31.823 -0.003 0.000 0.664 1115 V HN 0.389 nan 8.190 nan 0.000 0.453 1116 M N 0.076 119.626 119.600 -0.083 0.000 2.082 1116 M HA -0.205 4.278 4.480 0.005 0.000 0.258 1116 M C 2.393 178.788 176.300 0.157 0.000 1.069 1116 M CA 2.426 57.700 55.300 -0.044 0.000 1.102 1116 M CB -1.511 30.950 32.600 -0.231 0.000 1.336 1116 M HN 0.410 nan 8.290 nan 0.000 0.404 1117 A N -0.143 122.768 122.820 0.152 0.000 1.902 1117 A HA 0.009 4.333 4.320 0.005 0.000 0.217 1117 A C 2.437 180.104 177.584 0.138 0.000 1.181 1117 A CA 2.190 54.281 52.037 0.089 0.000 0.623 1117 A CB -0.972 17.889 19.000 -0.232 0.000 0.818 1117 A HN 0.490 nan 8.150 nan 0.000 0.443 1118 A N -0.073 122.821 122.820 0.123 0.000 1.883 1118 A HA -0.107 4.217 4.320 0.005 0.000 0.217 1118 A C 2.134 179.775 177.584 0.094 0.000 1.186 1118 A CA 1.597 53.731 52.037 0.162 0.000 0.624 1118 A CB -0.726 18.341 19.000 0.111 0.000 0.822 1118 A HN 0.479 nan 8.150 nan 0.000 0.444 1119 L N -1.374 119.896 121.223 0.079 0.000 2.191 1119 L HA -0.146 4.198 4.340 0.005 0.000 0.212 1119 L C 2.553 179.450 176.870 0.046 0.000 1.103 1119 L CA 1.156 56.036 54.840 0.068 0.000 0.769 1119 L CB -0.364 41.755 42.059 0.100 0.000 0.908 1119 L HN 0.456 nan 8.230 nan 0.000 0.438 1120 M N -1.660 117.982 119.600 0.070 0.000 2.509 1120 M HA 0.132 4.615 4.480 0.005 0.000 0.250 1120 M C 1.204 177.453 176.300 -0.085 0.000 1.132 1120 M CA 0.868 56.203 55.300 0.058 0.000 1.080 1120 M CB 0.648 33.361 32.600 0.188 0.000 1.408 1120 M HN 0.369 nan 8.290 nan 0.000 0.484 1121 G N 0.238 108.963 108.800 -0.124 0.000 2.321 1121 G HA2 -0.010 3.954 3.960 0.005 0.000 0.174 1121 G HA3 -0.010 3.954 3.960 0.005 0.000 0.174 1121 G C -0.038 174.837 174.900 -0.043 0.000 1.008 1121 G CA -0.233 44.668 45.100 -0.332 0.000 0.739 1121 G HN 0.532 nan 8.290 nan 0.000 0.502 1122 A N 0.236 123.086 122.820 0.050 0.000 2.363 1122 A HA 0.733 5.056 4.320 0.005 0.000 0.270 1122 A C 0.891 178.516 177.584 0.068 0.000 1.121 1122 A CA 0.553 52.618 52.037 0.048 0.000 0.800 1122 A CB 0.458 19.483 19.000 0.043 0.000 1.052 1122 A HN 0.357 nan 8.150 nan 0.000 0.493 1123 E N 0.959 121.112 120.200 -0.078 0.000 2.364 1123 E HA 0.063 4.417 4.350 0.005 0.000 0.196 1123 E C -0.077 176.228 176.600 -0.491 0.000 0.990 1123 E CA 0.545 56.872 56.400 -0.121 0.000 0.886 1123 E CB 0.415 30.115 29.700 0.000 0.000 0.866 1123 E HN 0.828 nan 8.360 nan 0.000 0.493 1124 E N -0.527 119.189 120.200 -0.807 0.000 2.429 1124 E HA 0.407 4.760 4.350 0.005 0.000 0.276 1124 E C -1.487 174.459 176.600 -1.089 0.000 0.953 1124 E CA -0.744 55.083 56.400 -0.956 0.000 0.787 1124 E CB 1.949 31.439 29.700 -0.351 0.000 1.307 1124 E HN -0.051 nan 8.360 nan 0.000 0.458 1125 Y N -0.811 119.558 120.300 0.115 0.000 2.386 1125 Y HA 0.535 5.088 4.550 0.005 0.000 0.334 1125 Y C 0.256 176.140 175.900 -0.027 0.000 1.002 1125 Y CA -1.154 56.945 58.100 -0.002 0.000 1.068 1125 Y CB 2.253 40.803 38.460 0.150 0.000 1.203 1125 Y HN 0.569 nan 8.280 nan 0.000 0.443 1126 G N 2.281 110.981 108.800 -0.167 0.000 2.388 1126 G HA2 0.687 4.650 3.960 0.005 0.000 0.330 1126 G HA3 0.687 4.650 3.960 0.005 0.000 0.330 1126 G C -1.682 173.043 174.900 -0.292 0.000 1.142 1126 G CA -0.535 44.518 45.100 -0.078 0.000 0.908 1126 G HN 0.393 nan 8.290 nan 0.000 0.473 1127 F N 1.164 121.204 119.950 0.150 0.000 2.536 1127 F HA 0.548 5.078 4.527 0.005 0.000 0.322 1127 F C 0.881 176.772 175.800 0.151 0.000 1.144 1127 F CA -0.444 57.669 58.000 0.189 0.000 0.924 1127 F CB 2.615 41.826 39.000 0.352 0.000 1.181 1127 F HN 0.628 nan 8.300 nan 0.000 0.438 1128 G N 0.666 109.611 108.800 0.241 0.000 2.710 1128 G HA2 -0.003 3.960 3.960 0.005 0.000 0.215 1128 G HA3 -0.003 3.960 3.960 0.005 0.000 0.215 1128 G C 1.303 176.272 174.900 0.115 0.000 1.345 1128 G CA 0.305 45.499 45.100 0.157 0.000 0.812 1128 G HN 0.500 nan 8.290 nan 0.000 0.606 1129 S N 1.451 117.205 115.700 0.091 0.000 2.370 1129 S HA -0.139 4.334 4.470 0.005 0.000 0.226 1129 S C 2.420 177.031 174.600 0.018 0.000 1.033 1129 S CA 1.553 59.783 58.200 0.051 0.000 1.011 1129 S CB -0.294 62.939 63.200 0.055 0.000 0.852 1129 S HN 0.387 nan 8.310 nan 0.000 0.457 1130 I N 2.215 122.817 120.570 0.054 0.000 2.179 1130 I HA -0.090 4.083 4.170 0.005 0.000 0.242 1130 I C 2.612 178.535 176.117 -0.325 0.000 1.088 1130 I CA 1.205 62.462 61.300 -0.072 0.000 1.357 1130 I CB -2.216 35.846 38.000 0.103 0.000 1.051 1130 I HN 0.206 nan 8.210 nan 0.000 0.409 1131 A N 1.120 123.838 122.820 -0.169 0.000 1.940 1131 A HA -0.170 4.153 4.320 0.005 0.000 0.219 1131 A C 2.403 179.913 177.584 -0.123 0.000 1.176 1131 A CA 2.033 53.958 52.037 -0.188 0.000 0.631 1131 A CB -0.666 18.398 19.000 0.107 0.000 0.814 1131 A HN 0.456 nan 8.150 nan 0.000 0.446 1132 M N -0.831 118.737 119.600 -0.053 0.000 2.175 1132 M HA -0.071 4.413 4.480 0.005 0.000 0.264 1132 M C 2.000 178.256 176.300 -0.074 0.000 1.063 1132 M CA 1.439 56.727 55.300 -0.021 0.000 1.119 1132 M CB -0.504 32.097 32.600 0.003 0.000 1.377 1132 M HN 0.383 nan 8.290 nan 0.000 0.415 1133 I N 0.218 120.706 120.570 -0.137 0.000 2.226 1133 I HA -0.261 3.913 4.170 0.005 0.000 0.245 1133 I C 2.723 178.723 176.117 -0.195 0.000 1.100 1133 I CA 1.237 62.433 61.300 -0.173 0.000 1.374 1133 I CB -0.619 37.286 38.000 -0.157 0.000 1.057 1133 I HN 0.255 nan 8.210 nan 0.000 0.413 1134 A N 1.314 123.949 122.820 -0.308 0.000 1.908 1134 A HA -0.245 4.078 4.320 0.005 0.000 0.218 1134 A C 2.102 179.700 177.584 0.024 0.000 1.181 1134 A CA 2.065 53.961 52.037 -0.235 0.000 0.627 1134 A CB -0.750 17.966 19.000 -0.473 0.000 0.818 1134 A HN 0.674 nan 8.150 nan 0.000 0.445 1135 E N -2.004 118.200 120.200 0.006 0.000 2.489 1135 E HA 0.374 4.727 4.350 0.005 0.000 0.193 1135 E C 0.936 177.529 176.600 -0.013 0.000 1.057 1135 E CA 0.506 56.964 56.400 0.097 0.000 0.866 1135 E CB -0.089 29.749 29.700 0.229 0.000 0.916 1135 E HN 0.682 nan 8.360 nan 0.000 0.500 1136 G N 0.688 109.322 108.800 -0.276 0.000 2.367 1136 G HA2 -0.265 3.698 3.960 0.005 0.000 0.181 1136 G HA3 -0.265 3.698 3.960 0.005 0.000 0.181 1136 G C 0.316 174.980 174.900 -0.394 0.000 1.000 1136 G CA -0.389 44.285 45.100 -0.711 0.000 0.693 1136 G HN 0.411 nan 8.290 nan 0.000 0.480 1137 C N 2.474 121.669 119.300 -0.176 0.000 2.437 1137 C HA 0.432 4.895 4.460 0.005 0.000 0.399 1137 C C 1.637 176.536 174.990 -0.152 0.000 1.478 1137 C CA 0.227 59.176 59.018 -0.115 0.000 1.538 1137 C CB -1.628 26.074 27.740 -0.063 0.000 2.506 1137 C HN 0.368 nan 8.230 nan 0.000 0.603 1138 I N 6.216 126.718 120.570 -0.114 0.000 3.932 1138 I HA 0.349 4.522 4.170 0.005 0.000 0.256 1138 I C 0.999 177.076 176.117 -0.066 0.000 1.408 1138 I CA -0.598 60.649 61.300 -0.089 0.000 0.882 1138 I CB 0.223 38.180 38.000 -0.073 0.000 1.657 1138 I HN 0.414 nan 8.210 nan 0.000 0.733 1139 M N 1.337 120.899 119.600 -0.062 0.000 3.080 1139 M HA 0.276 4.759 4.480 0.005 0.000 0.288 1139 M C 0.815 177.092 176.300 -0.038 0.000 1.224 1139 M CA -0.345 54.923 55.300 -0.053 0.000 0.787 1139 M CB 0.311 32.875 32.600 -0.059 0.000 1.368 1139 M HN 0.773 nan 8.290 nan 0.000 0.511 1140 A N 0.971 123.773 122.820 -0.030 0.000 1.978 1140 A HA -0.092 4.232 4.320 0.005 0.000 0.220 1140 A C 1.252 178.837 177.584 0.002 0.000 1.170 1140 A CA 1.158 53.190 52.037 -0.009 0.000 0.636 1140 A CB -0.181 18.811 19.000 -0.013 0.000 0.810 1140 A HN 0.742 nan 8.150 nan 0.000 0.448 1141 R N -2.358 118.119 120.500 -0.039 0.000 3.267 1141 R HA -0.148 4.196 4.340 0.005 0.000 0.254 1141 R C 0.123 176.374 176.300 -0.083 0.000 0.993 1141 R CA 0.594 56.627 56.100 -0.112 0.000 0.670 1141 R CB -2.375 27.863 30.300 -0.102 0.000 1.125 1141 R HN 0.963 nan 8.270 nan 0.000 0.434 1142 V N -4.410 115.480 119.914 -0.040 0.000 2.991 1142 V HA 0.134 4.257 4.120 0.005 0.000 0.355 1142 V C 1.578 177.621 176.094 -0.085 0.000 1.384 1142 V CA 0.041 62.303 62.300 -0.064 0.000 1.171 1142 V CB 0.412 32.194 31.823 -0.069 0.000 1.190 1142 V HN 0.406 nan 8.190 nan 0.000 0.540 1143 C N 1.424 120.727 119.300 0.004 0.000 2.410 1143 C HA -0.112 4.352 4.460 0.005 0.000 0.281 1143 C C 2.464 177.468 174.990 0.023 0.000 1.318 1143 C CA 1.511 60.530 59.018 0.001 0.000 1.776 1143 C CB -1.568 26.168 27.740 -0.006 0.000 1.942 1143 C HN 0.936 nan 8.230 nan 0.000 0.508 1144 H N -0.971 118.049 119.070 -0.084 0.000 2.539 1144 H HA 0.082 4.641 4.556 0.005 0.000 0.267 1144 H C 1.403 176.718 175.328 -0.021 0.000 0.982 1144 H CA 0.840 56.860 56.048 -0.046 0.000 1.146 1144 H CB -0.799 28.938 29.762 -0.041 0.000 1.382 1144 H HN 0.309 nan 8.280 nan 0.000 0.577 1145 T N 0.737 115.063 114.554 -0.379 0.000 3.044 1145 T HA -0.018 4.336 4.350 0.005 0.000 0.250 1145 T C 0.682 175.294 174.700 -0.147 0.000 1.081 1145 T CA 0.476 62.373 62.100 -0.338 0.000 1.040 1145 T CB -0.145 68.471 68.868 -0.420 0.000 0.962 1145 T HN 0.412 nan 8.240 nan 0.000 0.506 1146 N N 1.122 119.762 118.700 -0.101 0.000 2.863 1146 N HA -0.148 4.596 4.740 0.005 0.000 0.245 1146 N C 0.008 175.486 175.510 -0.054 0.000 1.001 1146 N CA 0.839 53.852 53.050 -0.061 0.000 0.901 1146 N CB -1.412 37.047 38.487 -0.046 0.000 1.124 1146 N HN 0.298 nan 8.380 nan 0.000 0.582 1147 N N -0.362 118.298 118.700 -0.067 0.000 2.214 1147 N HA 0.108 4.851 4.740 0.005 0.000 0.214 1147 N C -0.224 175.266 175.510 -0.033 0.000 1.132 1147 N CA -0.061 52.961 53.050 -0.046 0.000 0.856 1147 N CB -0.183 38.275 38.487 -0.049 0.000 1.020 1147 N HN 0.362 nan 8.380 nan 0.000 0.509 1148 C N 4.023 123.303 119.300 -0.032 0.000 2.106 1148 C HA -0.037 4.426 4.460 0.005 0.000 0.402 1148 C C -0.592 174.396 174.990 -0.003 0.000 1.548 1148 C CA -0.886 58.122 59.018 -0.016 0.000 1.432 1148 C CB 0.078 27.814 27.740 -0.008 0.000 2.584 1148 C HN 0.348 nan 8.230 nan 0.000 0.604 1149 P HA -0.008 nan 4.420 nan 0.000 0.234 1149 P C 0.742 178.049 177.300 0.011 0.000 1.167 1149 P CA 1.183 64.284 63.100 0.002 0.000 0.763 1149 P CB 0.142 31.840 31.700 -0.004 0.000 0.835 1150 V N -1.598 118.330 119.914 0.022 0.000 3.330 1150 V HA 0.354 4.477 4.120 0.005 0.000 0.309 1150 V C 1.417 177.586 176.094 0.125 0.000 1.481 1150 V CA 0.700 63.024 62.300 0.040 0.000 1.068 1150 V CB -0.039 31.780 31.823 -0.007 0.000 0.935 1150 V HN 0.266 nan 8.190 nan 0.000 0.453 1151 G N 0.335 109.196 108.800 0.102 0.000 2.148 1151 G HA2 -0.262 3.701 3.960 0.005 0.000 0.254 1151 G HA3 -0.262 3.701 3.960 0.005 0.000 0.254 1151 G C 0.649 175.604 174.900 0.093 0.000 0.981 1151 G CA 0.672 45.843 45.100 0.118 0.000 0.670 1151 G HN 0.402 nan 8.290 nan 0.000 0.528 1152 V N -0.286 119.688 119.914 0.101 0.000 2.426 1152 V HA 0.399 4.522 4.120 0.005 0.000 0.242 1152 V C 2.305 178.390 176.094 -0.015 0.000 1.036 1152 V CA 2.380 64.706 62.300 0.044 0.000 1.044 1152 V CB 0.014 31.897 31.823 0.100 0.000 0.688 1152 V HN 1.200 nan 8.190 nan 0.000 0.462 1153 A N -0.273 122.545 122.820 -0.004 0.000 2.965 1153 A HA 0.569 4.893 4.320 0.005 0.000 0.304 1153 A C 0.351 177.922 177.584 -0.022 0.000 1.214 1153 A CA 0.223 52.253 52.037 -0.012 0.000 0.977 1153 A CB 0.025 19.021 19.000 -0.006 0.000 1.127 1153 A HN 0.379 nan 8.150 nan 0.000 0.572 1154 T N -1.610 112.926 114.554 -0.029 0.000 2.896 1154 T HA 0.422 4.775 4.350 0.005 0.000 0.297 1154 T C -0.206 174.468 174.700 -0.043 0.000 1.108 1154 T CA -0.330 61.750 62.100 -0.033 0.000 1.004 1154 T CB 1.397 70.250 68.868 -0.026 0.000 1.159 1154 T HN 0.150 nan 8.240 nan 0.000 0.499 1155 Q N 1.022 120.798 119.800 -0.040 0.000 2.217 1155 Q HA 0.221 4.564 4.340 0.005 0.000 0.217 1155 Q C 0.024 175.998 176.000 -0.044 0.000 0.844 1155 Q CA 0.017 55.793 55.803 -0.045 0.000 0.957 1155 Q CB 0.689 29.407 28.738 -0.033 0.000 1.127 1155 Q HN 0.669 nan 8.270 nan 0.000 0.503 1156 Q N 1.205 120.984 119.800 -0.035 0.000 2.289 1156 Q HA 0.021 4.364 4.340 0.005 0.000 0.273 1156 Q C 0.666 176.646 176.000 -0.033 0.000 1.029 1156 Q CA 0.182 55.968 55.803 -0.029 0.000 0.896 1156 Q CB 0.740 29.465 28.738 -0.021 0.000 1.182 1156 Q HN 0.230 nan 8.270 nan 0.000 0.385 1157 E N 2.396 122.575 120.200 -0.036 0.000 2.077 1157 E HA -0.231 4.123 4.350 0.005 0.000 0.193 1157 E C 1.504 178.095 176.600 -0.016 0.000 0.989 1157 E CA 1.112 57.489 56.400 -0.039 0.000 0.800 1157 E CB 0.069 29.744 29.700 -0.041 0.000 0.746 1157 E HN 0.436 nan 8.360 nan 0.000 0.452 1158 R N 0.433 120.928 120.500 -0.008 0.000 2.148 1158 R HA 0.006 4.350 4.340 0.005 0.000 0.223 1158 R C 2.389 178.696 176.300 0.012 0.000 1.088 1158 R CA 0.600 56.703 56.100 0.004 0.000 0.985 1158 R CB -0.083 30.218 30.300 0.002 0.000 0.880 1158 R HN 0.151 nan 8.270 nan 0.000 0.451 1159 L N 0.123 121.350 121.223 0.007 0.000 2.072 1159 L HA -0.084 4.259 4.340 0.005 0.000 0.205 1159 L C 2.340 179.231 176.870 0.036 0.000 1.079 1159 L CA 1.159 56.009 54.840 0.017 0.000 0.752 1159 L CB -0.335 41.728 42.059 0.006 0.000 0.906 1159 L HN 0.147 nan 8.230 nan 0.000 0.436 1160 R N 0.074 120.584 120.500 0.017 0.000 2.105 1160 R HA -0.222 4.121 4.340 0.005 0.000 0.239 1160 R C 2.112 178.469 176.300 0.094 0.000 1.135 1160 R CA 1.288 57.403 56.100 0.024 0.000 0.967 1160 R CB -0.402 29.871 30.300 -0.044 0.000 0.861 1160 R HN 0.494 nan 8.270 nan 0.000 0.442 1161 Q N 0.165 120.010 119.800 0.074 0.000 2.439 1161 Q HA -0.110 4.233 4.340 0.005 0.000 0.211 1161 Q C 1.835 177.900 176.000 0.109 0.000 0.978 1161 Q CA 1.022 56.884 55.803 0.098 0.000 0.897 1161 Q CB 0.058 28.833 28.738 0.061 0.000 0.956 1161 Q HN 0.309 nan 8.270 nan 0.000 0.483 1162 R N -0.653 119.910 120.500 0.104 0.000 2.153 1162 R HA -0.029 4.314 4.340 0.005 0.000 0.218 1162 R C 0.276 176.643 176.300 0.111 0.000 1.072 1162 R CA -0.018 56.131 56.100 0.082 0.000 0.990 1162 R CB -0.047 30.287 30.300 0.057 0.000 0.889 1162 R HN 0.093 nan 8.270 nan 0.000 0.452 1163 F N 3.927 123.890 119.950 0.021 0.000 2.506 1163 F HA -0.091 4.439 4.527 0.005 0.000 0.387 1163 F C 0.283 176.105 175.800 0.036 0.000 1.053 1163 F CA 0.237 58.257 58.000 0.033 0.000 1.083 1163 F CB 0.144 39.177 39.000 0.054 0.000 1.010 1163 F HN -0.169 nan 8.300 nan 0.000 0.551 1164 K N 4.775 124.926 120.400 -0.414 0.000 2.090 1164 K HA 0.846 5.169 4.320 0.005 0.000 0.249 1164 K C -0.105 175.972 176.600 -0.871 0.000 0.995 1164 K CA -0.678 55.359 56.287 -0.417 0.000 0.914 1164 K CB 1.507 33.862 32.500 -0.242 0.000 1.057 1164 K HN 0.800 nan 8.250 nan 0.000 0.462 1165 G N -0.116 108.360 108.800 -0.540 0.000 2.404 1165 G HA2 0.232 4.195 3.960 0.005 0.000 0.230 1165 G HA3 0.232 4.195 3.960 0.005 0.000 0.230 1165 G C -1.115 173.755 174.900 -0.050 0.000 1.516 1165 G CA -0.609 44.160 45.100 -0.552 0.000 1.026 1165 G HN 0.598 nan 8.290 nan 0.000 0.660 1166 V N 0.734 120.657 119.914 0.015 0.000 2.962 1166 V HA 0.890 5.013 4.120 0.005 0.000 0.313 1166 V C -1.892 174.256 176.094 0.091 0.000 1.099 1166 V CA -2.293 60.059 62.300 0.087 0.000 0.971 1166 V CB 2.120 33.970 31.823 0.045 0.000 1.028 1166 V HN 0.348 nan 8.190 nan 0.000 0.430 1167 P HA -0.004 nan 4.420 nan 0.000 0.218 1167 P C 1.627 178.963 177.300 0.059 0.000 1.148 1167 P CA 1.973 65.126 63.100 0.087 0.000 0.822 1167 P CB 0.071 31.813 31.700 0.071 0.000 0.784 1168 G N -0.085 108.740 108.800 0.042 0.000 2.418 1168 G HA2 -0.282 3.681 3.960 0.005 0.000 0.217 1168 G HA3 -0.282 3.681 3.960 0.005 0.000 0.217 1168 G C 1.504 176.419 174.900 0.024 0.000 1.158 1168 G CA 0.593 45.711 45.100 0.030 0.000 0.771 1168 G HN 0.291 nan 8.290 nan 0.000 0.545 1169 Q N -0.311 119.501 119.800 0.020 0.000 2.077 1169 Q HA -0.136 4.207 4.340 0.005 0.000 0.206 1169 Q C 2.797 178.818 176.000 0.034 0.000 0.989 1169 Q CA 1.876 57.685 55.803 0.010 0.000 0.853 1169 Q CB -0.466 28.265 28.738 -0.013 0.000 0.907 1169 Q HN 0.460 nan 8.270 nan 0.000 0.418 1170 V N -0.879 119.069 119.914 0.056 0.000 2.667 1170 V HA -0.121 4.002 4.120 0.005 0.000 0.252 1170 V C 1.934 178.096 176.094 0.114 0.000 1.065 1170 V CA 1.096 63.450 62.300 0.091 0.000 1.083 1170 V CB -0.137 31.760 31.823 0.122 0.000 0.692 1170 V HN 0.183 nan 8.190 nan 0.000 0.468 1171 V N 1.743 121.672 119.914 0.024 0.000 2.295 1171 V HA -0.221 3.902 4.120 0.005 0.000 0.246 1171 V C 2.592 178.485 176.094 -0.334 0.000 1.049 1171 V CA 2.570 64.787 62.300 -0.139 0.000 1.024 1171 V CB -1.138 30.602 31.823 -0.138 0.000 0.648 1171 V HN 0.610 nan 8.190 nan 0.000 0.447 1172 N N 0.065 118.656 118.700 -0.183 0.000 2.061 1172 N HA -0.230 4.513 4.740 0.005 0.000 0.193 1172 N C 1.678 176.965 175.510 -0.372 0.000 1.030 1172 N CA 1.908 54.802 53.050 -0.260 0.000 0.856 1172 N CB -0.675 37.726 38.487 -0.143 0.000 1.023 1172 N HN 0.542 nan 8.380 nan 0.000 0.424 1173 F N 0.772 120.556 119.950 -0.277 0.000 2.126 1173 F HA -0.103 4.428 4.527 0.006 0.000 0.299 1173 F C 1.953 177.553 175.800 -0.333 0.000 1.096 1173 F CA 1.256 59.105 58.000 -0.252 0.000 1.255 1173 F CB -0.608 38.159 39.000 -0.388 0.000 0.997 1173 F HN -0.059 nan 8.300 nan 0.000 0.479 1174 F N -1.139 118.553 119.950 -0.429 0.000 2.293 1174 F HA -0.174 4.356 4.527 0.005 0.000 0.300 1174 F C 2.140 177.804 175.800 -0.226 0.000 1.086 1174 F CA 1.033 58.771 58.000 -0.437 0.000 1.375 1174 F CB -0.749 38.133 39.000 -0.198 0.000 1.045 1174 F HN 0.031 nan 8.300 nan 0.000 0.516 1175 Y N -1.170 119.041 120.300 -0.147 0.000 2.145 1175 Y HA -0.269 4.284 4.550 0.006 0.000 0.286 1175 Y C 2.303 178.030 175.900 -0.288 0.000 1.145 1175 Y CA 0.862 58.820 58.100 -0.237 0.000 1.148 1175 Y CB -0.687 37.551 38.460 -0.371 0.000 0.981 1175 Y HN -0.039 nan 8.280 nan 0.000 0.507 1176 F N -0.347 119.465 119.950 -0.230 0.000 2.065 1176 F HA -0.342 4.188 4.527 0.005 0.000 0.298 1176 F C 2.203 177.861 175.800 -0.236 0.000 1.112 1176 F CA 0.619 58.353 58.000 -0.443 0.000 1.212 1176 F CB -0.467 37.878 39.000 -1.092 0.000 0.975 1176 F HN 0.031 nan 8.300 nan 0.000 0.476 1177 I N 0.738 121.237 120.570 -0.118 0.000 2.118 1177 I HA -0.333 3.840 4.170 0.005 0.000 0.241 1177 I C 2.705 178.949 176.117 0.211 0.000 1.070 1177 I CA 1.681 62.976 61.300 -0.008 0.000 1.327 1177 I CB -1.979 35.832 38.000 -0.315 0.000 1.034 1177 I HN 0.097 nan 8.210 nan 0.000 0.405 1178 A N -0.233 122.759 122.820 0.287 0.000 1.930 1178 A HA -0.169 4.155 4.320 0.005 0.000 0.217 1178 A C 2.237 179.911 177.584 0.150 0.000 1.175 1178 A CA 1.294 53.496 52.037 0.274 0.000 0.627 1178 A CB -0.462 18.690 19.000 0.254 0.000 0.815 1178 A HN 0.359 nan 8.150 nan 0.000 0.443 1179 E N -0.307 119.958 120.200 0.109 0.000 2.150 1179 E HA -0.170 4.183 4.350 0.005 0.000 0.193 1179 E C 1.891 178.558 176.600 0.111 0.000 0.985 1179 E CA 1.070 57.512 56.400 0.071 0.000 0.814 1179 E CB -0.164 29.552 29.700 0.027 0.000 0.752 1179 E HN 0.814 nan 8.360 nan 0.000 0.466 1180 E N 0.081 120.377 120.200 0.159 0.000 2.107 1180 E HA -0.102 4.251 4.350 0.005 0.000 0.191 1180 E C 2.090 178.794 176.600 0.173 0.000 0.982 1180 E CA 0.563 57.077 56.400 0.190 0.000 0.809 1180 E CB 0.304 30.159 29.700 0.258 0.000 0.756 1180 E HN -0.002 nan 8.360 nan 0.000 0.459 1181 V N 1.337 121.354 119.914 0.172 0.000 2.332 1181 V HA -0.296 3.827 4.120 0.005 0.000 0.248 1181 V C 2.384 178.530 176.094 0.088 0.000 1.055 1181 V CA 2.047 64.428 62.300 0.134 0.000 1.038 1181 V CB -0.498 31.413 31.823 0.148 0.000 0.651 1181 V HN 0.270 nan 8.190 nan 0.000 0.450 1182 R N 0.477 121.025 120.500 0.080 0.000 2.096 1182 R HA -0.148 4.195 4.340 0.005 0.000 0.235 1182 R C 2.580 178.915 176.300 0.057 0.000 1.127 1182 R CA 1.754 57.886 56.100 0.053 0.000 0.968 1182 R CB -0.511 29.811 30.300 0.037 0.000 0.861 1182 R HN 0.676 nan 8.270 nan 0.000 0.440 1183 S N 0.476 116.222 115.700 0.076 0.000 2.436 1183 S HA 0.013 4.487 4.470 0.005 0.000 0.228 1183 S C 1.995 176.649 174.600 0.089 0.000 1.014 1183 S CA 0.405 58.653 58.200 0.079 0.000 0.950 1183 S CB -0.083 63.169 63.200 0.087 0.000 0.784 1183 S HN 0.210 nan 8.310 nan 0.000 0.504 1184 L N 0.576 121.850 121.223 0.085 0.000 2.156 1184 L HA 0.093 4.436 4.340 0.005 0.000 0.208 1184 L C 2.452 179.310 176.870 -0.020 0.000 1.095 1184 L CA 0.826 55.685 54.840 0.031 0.000 0.770 1184 L CB -0.467 41.592 42.059 0.001 0.000 0.914 1184 L HN 0.326 nan 8.230 nan 0.000 0.439 1185 L N -0.560 120.669 121.223 0.011 0.000 2.141 1185 L HA -0.152 4.191 4.340 0.005 0.000 0.209 1185 L C 2.858 179.749 176.870 0.036 0.000 1.094 1185 L CA 0.957 55.812 54.840 0.025 0.000 0.763 1185 L CB -0.675 41.408 42.059 0.040 0.000 0.908 1185 L HN 0.218 nan 8.230 nan 0.000 0.437 1186 A N -0.774 122.073 122.820 0.045 0.000 1.877 1186 A HA -0.294 4.030 4.320 0.005 0.000 0.216 1186 A C 2.275 179.895 177.584 0.060 0.000 1.186 1186 A CA 1.778 53.842 52.037 0.045 0.000 0.620 1186 A CB -1.034 17.998 19.000 0.053 0.000 0.822 1186 A HN 0.515 nan 8.150 nan 0.000 0.443 1187 H N -0.238 118.821 119.070 -0.017 0.000 2.353 1187 H HA -0.077 4.482 4.556 0.005 0.000 0.298 1187 H C 1.689 176.997 175.328 -0.033 0.000 1.103 1187 H CA 1.742 57.782 56.048 -0.014 0.000 1.293 1187 H CB -0.066 29.696 29.762 0.001 0.000 1.372 1187 H HN 0.425 nan 8.280 nan 0.000 0.501 1188 L N -0.415 120.721 121.223 -0.145 0.000 2.492 1188 L HA 0.057 4.400 4.340 0.005 0.000 0.223 1188 L C 1.705 178.451 176.870 -0.206 0.000 1.132 1188 L CA 0.594 55.332 54.840 -0.170 0.000 0.850 1188 L CB 0.135 42.181 42.059 -0.022 0.000 0.966 1188 L HN 0.561 nan 8.230 nan 0.000 0.454 1189 G N -0.705 107.983 108.800 -0.186 0.000 2.147 1189 G HA2 -0.308 3.655 3.960 0.005 0.000 0.244 1189 G HA3 -0.308 3.655 3.960 0.005 0.000 0.244 1189 G C -0.174 174.479 174.900 -0.411 0.000 1.005 1189 G CA -0.152 44.780 45.100 -0.282 0.000 0.713 1189 G HN 0.333 nan 8.290 nan 0.000 0.515 1190 Y N -1.332 118.943 120.300 -0.043 0.000 2.509 1190 Y HA 0.621 5.174 4.550 0.006 0.000 0.341 1190 Y C 1.640 177.523 175.900 -0.028 0.000 1.038 1190 Y CA -1.269 56.811 58.100 -0.033 0.000 1.089 1190 Y CB 1.200 39.640 38.460 -0.034 0.000 1.241 1190 Y HN -0.041 nan 8.280 nan 0.000 0.468 1191 R N 0.380 120.969 120.500 0.147 0.000 2.254 1191 R HA 0.163 4.507 4.340 0.005 0.000 0.195 1191 R C -0.317 176.011 176.300 0.046 0.000 0.957 1191 R CA 0.517 56.657 56.100 0.066 0.000 1.024 1191 R CB 0.243 30.567 30.300 0.040 0.000 0.952 1191 R HN 0.576 nan 8.270 nan 0.000 0.484 1192 S N -0.949 114.782 115.700 0.051 0.000 2.547 1192 S HA 0.207 4.680 4.470 0.005 0.000 0.270 1192 S C 0.293 174.894 174.600 0.002 0.000 1.150 1192 S CA -0.866 57.344 58.200 0.016 0.000 0.850 1192 S CB 1.480 64.678 63.200 -0.003 0.000 1.118 1192 S HN -0.141 nan 8.310 nan 0.000 0.461 1193 L N 1.755 122.981 121.223 0.005 0.000 2.127 1193 L HA -0.040 4.303 4.340 0.005 0.000 0.211 1193 L C 2.166 179.026 176.870 -0.017 0.000 1.089 1193 L CA 2.060 56.908 54.840 0.013 0.000 0.757 1193 L CB -1.591 40.510 42.059 0.069 0.000 0.899 1193 L HN 1.047 nan 8.230 nan 0.000 0.434 1194 D N -0.513 119.866 120.400 -0.036 0.000 2.172 1194 D HA -0.222 4.422 4.640 0.005 0.000 0.196 1194 D C 1.532 177.756 176.300 -0.127 0.000 0.999 1194 D CA 1.312 55.263 54.000 -0.082 0.000 0.856 1194 D CB 0.155 40.906 40.800 -0.082 0.000 0.934 1194 D HN 0.329 nan 8.370 nan 0.000 0.453 1195 D N -0.745 119.580 120.400 -0.125 0.000 2.317 1195 D HA -0.019 4.625 4.640 0.005 0.000 0.211 1195 D C 1.899 177.979 176.300 -0.366 0.000 0.966 1195 D CA 0.557 54.425 54.000 -0.219 0.000 0.876 1195 D CB 0.109 40.811 40.800 -0.163 0.000 0.927 1195 D HN 0.584 nan 8.370 nan 0.000 0.519 1196 I N -2.767 117.654 120.570 -0.248 0.000 4.139 1196 I HA 0.239 4.412 4.170 0.005 0.000 0.335 1196 I C 0.408 176.491 176.117 -0.056 0.000 1.327 1196 I CA -0.309 60.853 61.300 -0.231 0.000 1.112 1196 I CB 0.420 38.303 38.000 -0.194 0.000 1.058 1196 I HN -0.319 nan 8.210 nan 0.000 0.396 1197 I N 3.843 124.415 120.570 0.004 0.000 2.662 1197 I HA 0.178 4.351 4.170 0.005 0.000 0.285 1197 I C 1.495 177.752 176.117 0.234 0.000 1.161 1197 I CA 1.517 62.885 61.300 0.113 0.000 1.415 1197 I CB 0.451 38.525 38.000 0.123 0.000 1.385 1197 I HN 0.581 nan 8.210 nan 0.000 0.552 1198 G N 5.106 113.974 108.800 0.114 0.000 2.176 1198 G HA2 -0.253 3.710 3.960 0.005 0.000 0.253 1198 G HA3 -0.253 3.710 3.960 0.005 0.000 0.253 1198 G C 0.584 175.547 174.900 0.105 0.000 0.979 1198 G CA -0.534 44.587 45.100 0.036 0.000 0.641 1198 G HN 0.519 nan 8.290 nan 0.000 0.530 1199 R N 1.173 121.723 120.500 0.084 0.000 3.688 1199 R HA 0.259 4.602 4.340 0.005 0.000 0.194 1199 R C 1.542 177.883 176.300 0.069 0.000 1.677 1199 R CA 0.675 56.812 56.100 0.061 0.000 1.351 1199 R CB -0.432 29.857 30.300 -0.019 0.000 1.338 1199 R HN 0.319 nan 8.270 nan 0.000 0.731 1200 T N 0.609 115.209 114.554 0.077 0.000 2.962 1200 T HA -0.108 4.245 4.350 0.005 0.000 0.270 1200 T C 1.181 175.928 174.700 0.078 0.000 1.088 1200 T CA 1.397 63.543 62.100 0.076 0.000 1.127 1200 T CB 0.044 68.955 68.868 0.072 0.000 0.883 1200 T HN 0.560 nan 8.240 nan 0.000 0.493 1201 D N 0.533 120.981 120.400 0.079 0.000 2.378 1201 D HA -0.051 4.592 4.640 0.005 0.000 0.227 1201 D C 1.638 177.995 176.300 0.094 0.000 1.012 1201 D CA 0.303 54.350 54.000 0.078 0.000 0.905 1201 D CB -0.236 40.609 40.800 0.074 0.000 0.895 1201 D HN 0.433 nan 8.370 nan 0.000 0.532 1202 L N -0.006 121.282 121.223 0.109 0.000 2.592 1202 L HA 0.242 4.585 4.340 0.005 0.000 0.227 1202 L C 0.774 177.756 176.870 0.185 0.000 1.127 1202 L CA -0.018 54.907 54.840 0.142 0.000 0.884 1202 L CB 0.150 42.292 42.059 0.139 0.000 1.065 1202 L HN -0.052 nan 8.230 nan 0.000 0.457 1203 L N 0.620 121.927 121.223 0.141 0.000 2.360 1203 L HA 0.381 4.724 4.340 0.005 0.000 0.271 1203 L C -0.071 176.849 176.870 0.083 0.000 1.057 1203 L CA -0.282 54.629 54.840 0.119 0.000 0.803 1203 L CB 1.635 43.740 42.059 0.077 0.000 1.207 1203 L HN 0.060 nan 8.230 nan 0.000 0.445 1204 K N 0.204 120.640 120.400 0.060 0.000 2.522 1204 K HA 0.646 4.969 4.320 0.005 0.000 0.275 1204 K C -1.617 174.997 176.600 0.023 0.000 1.006 1204 K CA -0.956 55.359 56.287 0.046 0.000 0.890 1204 K CB 1.759 34.296 32.500 0.062 0.000 1.475 1204 K HN 0.164 nan 8.250 nan 0.000 0.441 1205 V N 1.905 121.832 119.914 0.022 0.000 2.461 1205 V HA 0.257 4.380 4.120 0.005 0.000 0.275 1205 V C 0.406 176.509 176.094 0.016 0.000 1.047 1205 V CA -0.552 61.756 62.300 0.013 0.000 0.955 1205 V CB 0.885 32.715 31.823 0.011 0.000 0.988 1205 V HN 0.662 nan 8.190 nan 0.000 0.471 1206 R N 3.043 123.550 120.500 0.011 0.000 2.502 1206 R HA -0.012 4.331 4.340 0.005 0.000 0.292 1206 R C 1.394 177.701 176.300 0.011 0.000 0.998 1206 R CA 0.604 56.711 56.100 0.012 0.000 1.056 1206 R CB 0.510 30.814 30.300 0.007 0.000 0.939 1206 R HN 0.952 nan 8.270 nan 0.000 0.411 1207 S N 1.777 117.487 115.700 0.015 0.000 2.650 1207 S HA -0.048 4.425 4.470 0.005 0.000 0.219 1207 S C 0.425 175.029 174.600 0.006 0.000 0.960 1207 S CA 0.597 58.805 58.200 0.013 0.000 0.925 1207 S CB 0.122 63.334 63.200 0.020 0.000 0.775 1207 S HN 0.815 nan 8.310 nan 0.000 0.525 1208 D N -0.172 120.229 120.400 0.001 0.000 2.539 1208 D HA 0.180 4.823 4.640 0.005 0.000 0.232 1208 D C -0.030 176.266 176.300 -0.007 0.000 1.256 1208 D CA -0.243 53.754 54.000 -0.005 0.000 0.810 1208 D CB -0.085 40.709 40.800 -0.009 0.000 1.090 1208 D HN 0.267 nan 8.370 nan 0.000 0.519 1209 V N 0.574 120.486 119.914 -0.003 0.000 2.863 1209 V HA 0.442 4.565 4.120 0.005 0.000 0.307 1209 V C -0.414 175.684 176.094 0.006 0.000 1.061 1209 V CA -0.195 62.106 62.300 0.001 0.000 1.024 1209 V CB 1.673 33.497 31.823 0.001 0.000 1.049 1209 V HN 0.033 nan 8.190 nan 0.000 0.471 1210 Q N 2.377 122.187 119.800 0.017 0.000 2.374 1210 Q HA 0.482 4.825 4.340 0.005 0.000 0.250 1210 Q C -1.226 174.803 176.000 0.050 0.000 0.918 1210 Q CA -0.087 55.727 55.803 0.018 0.000 0.778 1210 Q CB 1.509 30.247 28.738 -0.001 0.000 1.328 1210 Q HN 0.648 nan 8.270 nan 0.000 0.445 1211 L N 1.165 122.416 121.223 0.047 0.000 2.436 1211 L HA 0.324 4.668 4.340 0.005 0.000 0.265 1211 L C 1.061 177.981 176.870 0.083 0.000 1.168 1211 L CA -0.096 54.787 54.840 0.072 0.000 0.815 1211 L CB 0.923 43.006 42.059 0.041 0.000 1.109 1211 L HN 0.684 nan 8.230 nan 0.000 0.462 1212 S N 0.332 116.116 115.700 0.139 0.000 2.395 1212 S HA -0.048 4.425 4.470 0.005 0.000 0.225 1212 S C 1.605 176.244 174.600 0.064 0.000 1.027 1212 S CA 1.119 59.391 58.200 0.119 0.000 0.965 1212 S CB 0.113 63.431 63.200 0.198 0.000 0.812 1212 S HN 0.539 nan 8.310 nan 0.000 0.482 1213 K N 0.366 120.804 120.400 0.063 0.000 2.276 1213 K HA 0.131 4.455 4.320 0.005 0.000 0.198 1213 K C 0.390 177.007 176.600 0.027 0.000 1.052 1213 K CA 0.669 56.988 56.287 0.053 0.000 0.984 1213 K CB 0.623 33.182 32.500 0.097 0.000 0.836 1213 K HN 0.377 nan 8.250 nan 0.000 0.490 1214 T N -2.534 112.034 114.554 0.023 0.000 2.812 1214 T HA 0.183 4.536 4.350 0.005 0.000 0.294 1214 T C 0.464 175.166 174.700 0.003 0.000 1.159 1214 T CA -0.879 61.223 62.100 0.003 0.000 1.008 1214 T CB 1.692 70.558 68.868 -0.004 0.000 1.289 1214 T HN -0.222 nan 8.240 nan 0.000 0.514 1215 Q N 0.950 120.746 119.800 -0.006 0.000 1.993 1215 Q HA 0.032 4.375 4.340 0.005 0.000 0.202 1215 Q C 0.591 176.590 176.000 -0.002 0.000 0.984 1215 Q CA 1.984 57.784 55.803 -0.006 0.000 0.837 1215 Q CB 0.033 28.764 28.738 -0.012 0.000 0.902 1215 Q HN 0.838 nan 8.270 nan 0.000 0.423 1216 N N -2.650 116.048 118.700 -0.004 0.000 3.185 1216 N HA 0.093 4.836 4.740 0.005 0.000 0.238 1216 N C -1.124 174.383 175.510 -0.005 0.000 1.451 1216 N CA -0.631 52.418 53.050 -0.002 0.000 0.888 1216 N CB 0.277 38.763 38.487 -0.001 0.000 1.413 1216 N HN -0.017 nan 8.380 nan 0.000 0.511 1217 L N 0.529 121.749 121.223 -0.005 0.000 2.598 1217 L HA 0.528 4.872 4.340 0.005 0.000 0.202 1217 L C 0.733 177.597 176.870 -0.011 0.000 1.190 1217 L CA 0.351 55.185 54.840 -0.010 0.000 0.869 1217 L CB -0.240 41.811 42.059 -0.013 0.000 1.529 1217 L HN 0.786 nan 8.230 nan 0.000 0.520 1218 T N 1.284 115.830 114.554 -0.014 0.000 3.031 1218 T HA 0.458 4.811 4.350 0.005 0.000 0.305 1218 T C 0.451 175.143 174.700 -0.014 0.000 0.985 1218 T CA -0.315 61.778 62.100 -0.012 0.000 1.008 1218 T CB 0.883 69.744 68.868 -0.012 0.000 1.005 1218 T HN 0.310 nan 8.240 nan 0.000 0.444 1219 L N 1.852 123.069 121.223 -0.010 0.000 2.872 1219 L HA 0.235 4.579 4.340 0.005 0.000 0.245 1219 L C 1.295 178.162 176.870 -0.005 0.000 1.211 1219 L CA -0.217 54.616 54.840 -0.012 0.000 1.013 1219 L CB 0.059 42.110 42.059 -0.013 0.000 1.326 1219 L HN 0.527 nan 8.230 nan 0.000 0.525 1220 D N 0.984 121.382 120.400 -0.003 0.000 2.158 1220 D HA -0.222 4.422 4.640 0.005 0.000 0.197 1220 D C 2.117 178.420 176.300 0.004 0.000 0.995 1220 D CA 1.792 55.794 54.000 0.002 0.000 0.846 1220 D CB -0.062 40.739 40.800 0.001 0.000 0.941 1220 D HN 0.599 nan 8.370 nan 0.000 0.456 1221 C N -0.433 118.868 119.300 0.000 0.000 2.449 1221 C HA 0.131 4.595 4.460 0.005 0.000 0.283 1221 C C 2.452 177.449 174.990 0.011 0.000 1.453 1221 C CA -0.243 58.778 59.018 0.004 0.000 1.779 1221 C CB -1.492 26.248 27.740 -0.001 0.000 1.779 1221 C HN 0.203 nan 8.230 nan 0.000 0.546 1222 L N -0.421 120.806 121.223 0.007 0.000 2.556 1222 L HA 0.268 4.611 4.340 0.005 0.000 0.226 1222 L C 2.331 179.216 176.870 0.025 0.000 1.089 1222 L CA 0.455 55.303 54.840 0.013 0.000 0.864 1222 L CB -0.100 41.953 42.059 -0.010 0.000 1.067 1222 L HN 0.310 nan 8.230 nan 0.000 0.477 1223 L N -1.152 120.085 121.223 0.023 0.000 2.537 1223 L HA 0.165 4.508 4.340 0.005 0.000 0.224 1223 L C 0.222 177.112 176.870 0.034 0.000 1.065 1223 L CA 0.065 54.923 54.840 0.031 0.000 0.860 1223 L CB 0.076 42.150 42.059 0.025 0.000 1.086 1223 L HN 0.161 nan 8.230 nan 0.000 0.482 1224 N N 1.742 120.458 118.700 0.027 0.000 3.229 1224 N HA 0.355 5.098 4.740 0.005 0.000 0.275 1224 N C -0.588 174.937 175.510 0.025 0.000 1.225 1224 N CA 0.259 53.323 53.050 0.024 0.000 1.119 1224 N CB 0.430 38.926 38.487 0.014 0.000 1.392 1224 N HN 0.159 nan 8.380 nan 0.000 0.520 1225 L N 0.825 122.071 121.223 0.038 0.000 2.358 1225 L HA 0.586 4.929 4.340 0.005 0.000 0.268 1225 L C -1.785 175.096 176.870 0.019 0.000 1.032 1225 L CA -1.997 52.868 54.840 0.042 0.000 0.805 1225 L CB 0.940 43.061 42.059 0.103 0.000 1.253 1225 L HN 0.093 nan 8.230 nan 0.000 0.452 1226 P HA 0.069 nan 4.420 nan 0.000 0.276 1226 P C -0.979 176.327 177.300 0.009 0.000 1.230 1226 P CA -0.442 62.639 63.100 -0.032 0.000 0.776 1226 P CB 0.357 31.994 31.700 -0.105 0.000 0.888 1227 D N 1.423 121.840 120.400 0.029 0.000 2.658 1227 D HA -0.055 4.588 4.640 0.005 0.000 0.230 1227 D C 0.304 176.661 176.300 0.096 0.000 1.118 1227 D CA 1.091 55.127 54.000 0.060 0.000 0.848 1227 D CB 0.306 41.139 40.800 0.054 0.000 1.160 1227 D HN 0.190 nan 8.370 nan 0.000 0.497 1228 T N 3.686 118.324 114.554 0.140 0.000 3.111 1228 T HA 0.083 4.436 4.350 0.005 0.000 0.284 1228 T C 1.581 176.392 174.700 0.184 0.000 0.983 1228 T CA -0.324 61.921 62.100 0.243 0.000 0.900 1228 T CB 0.279 69.342 68.868 0.326 0.000 1.132 1228 T HN 0.318 nan 8.240 nan 0.000 0.531 1229 K N 1.150 121.622 120.400 0.120 0.000 2.063 1229 K HA -0.077 4.246 4.320 0.005 0.000 0.208 1229 K C 2.011 178.660 176.600 0.082 0.000 1.048 1229 K CA 1.348 57.689 56.287 0.090 0.000 0.928 1229 K CB 0.120 32.671 32.500 0.084 0.000 0.713 1229 K HN 0.435 nan 8.250 nan 0.000 0.442 1230 Q N -0.449 119.405 119.800 0.090 0.000 2.442 1230 Q HA 0.016 4.359 4.340 0.005 0.000 0.228 1230 Q C 0.336 176.382 176.000 0.077 0.000 0.902 1230 Q CA 0.086 55.931 55.803 0.070 0.000 0.933 1230 Q CB 0.143 28.917 28.738 0.061 0.000 1.071 1230 Q HN 0.114 nan 8.270 nan 0.000 0.562 1231 N N 1.153 119.931 118.700 0.131 0.000 2.437 1231 N HA 0.111 4.854 4.740 0.005 0.000 0.259 1231 N C -0.031 175.600 175.510 0.201 0.000 0.983 1231 N CA -0.083 53.058 53.050 0.152 0.000 0.937 1231 N CB 0.616 39.209 38.487 0.177 0.000 1.122 1231 N HN -0.042 nan 8.380 nan 0.000 0.499 1232 R N 2.460 122.942 120.500 -0.030 0.000 2.549 1232 R HA 0.111 4.454 4.340 0.005 0.000 0.344 1232 R C 0.577 176.552 176.300 -0.541 0.000 0.979 1232 R CA 0.016 55.888 56.100 -0.380 0.000 1.140 1232 R CB 0.473 30.596 30.300 -0.295 0.000 1.377 1232 R HN 0.688 nan 8.270 nan 0.000 0.541 1233 Q N 0.548 120.205 119.800 -0.238 0.000 2.226 1233 Q HA -0.128 4.216 4.340 0.005 0.000 0.204 1233 Q C 1.527 177.415 176.000 -0.187 0.000 0.975 1233 Q CA 1.385 57.086 55.803 -0.170 0.000 0.866 1233 Q CB -0.062 28.657 28.738 -0.032 0.000 0.915 1233 Q HN 0.512 nan 8.270 nan 0.000 0.440 1234 W N -0.333 120.938 121.300 -0.049 0.000 2.480 1234 W HA -0.106 4.557 4.660 0.006 0.000 0.257 1234 W C 0.748 177.174 176.519 -0.155 0.000 1.235 1234 W CA 0.099 57.412 57.345 -0.053 0.000 1.218 1234 W CB -0.393 29.075 29.460 0.013 0.000 1.131 1234 W HN 0.123 nan 8.180 nan 0.000 0.606 1235 L N 1.770 122.582 121.223 -0.684 0.000 2.418 1235 L HA 0.073 4.417 4.340 0.005 0.000 0.218 1235 L C 0.463 176.940 176.870 -0.654 0.000 1.125 1235 L CA 0.676 55.130 54.840 -0.645 0.000 0.835 1235 L CB -1.407 40.246 42.059 -0.676 0.000 0.953 1235 L HN -0.141 nan 8.230 nan 0.000 0.454 1236 N N 0.648 119.050 118.700 -0.496 0.000 2.411 1236 N HA 0.102 4.845 4.740 0.005 0.000 0.259 1236 N C -0.321 174.961 175.510 -0.380 0.000 1.103 1236 N CA 0.132 52.966 53.050 -0.360 0.000 0.954 1236 N CB 0.456 38.830 38.487 -0.188 0.000 1.085 1236 N HN 0.174 nan 8.380 nan 0.000 0.485 1237 H N -0.089 118.974 119.070 -0.011 0.000 2.529 1237 H HA 0.174 4.734 4.556 0.006 0.000 0.348 1237 H C -0.025 175.291 175.328 -0.019 0.000 1.152 1237 H CA -0.598 55.453 56.048 0.006 0.000 1.202 1237 H CB 1.784 31.538 29.762 -0.012 0.000 1.562 1237 H HN 0.529 nan 8.280 nan 0.000 0.515 1238 E N 2.955 123.230 120.200 0.125 0.000 2.392 1238 E HA 0.045 4.398 4.350 0.005 0.000 0.264 1238 E C -1.543 175.020 176.600 -0.062 0.000 1.024 1238 E CA -1.295 55.121 56.400 0.026 0.000 0.903 1238 E CB 0.824 30.571 29.700 0.079 0.000 0.963 1238 E HN 0.264 nan 8.360 nan 0.000 0.432 1239 P HA -0.094 nan 4.420 nan 0.000 0.216 1239 P C -0.765 176.450 177.300 -0.142 0.000 1.150 1239 P CA 0.784 63.834 63.100 -0.083 0.000 0.837 1239 P CB 0.249 31.911 31.700 -0.063 0.000 0.786 1240 V N -1.879 117.923 119.914 -0.187 0.000 2.924 1240 V HA 0.197 4.320 4.120 0.005 0.000 0.300 1240 V C -0.684 175.235 176.094 -0.292 0.000 1.227 1240 V CA -1.032 61.121 62.300 -0.245 0.000 0.954 1240 V CB 1.639 33.363 31.823 -0.165 0.000 1.055 1240 V HN 0.006 nan 8.190 nan 0.000 0.429 1241 H N 1.575 120.527 119.070 -0.197 0.000 2.652 1241 H HA 0.513 5.072 4.556 0.005 0.000 0.349 1241 H C 0.440 175.487 175.328 -0.469 0.000 1.099 1241 H CA 0.185 56.087 56.048 -0.243 0.000 1.417 1241 H CB 1.812 31.509 29.762 -0.107 0.000 1.457 1241 H HN 0.765 nan 8.280 nan 0.000 0.568 1242 S N 1.395 117.016 115.700 -0.132 0.000 2.632 1242 S HA 0.075 4.549 4.470 0.005 0.000 0.271 1242 S C 1.063 175.572 174.600 -0.153 0.000 1.260 1242 S CA -0.709 57.384 58.200 -0.179 0.000 1.010 1242 S CB 0.678 63.827 63.200 -0.085 0.000 0.965 1242 S HN 0.547 nan 8.310 nan 0.000 0.534 1243 N N 1.356 119.953 118.700 -0.171 0.000 2.412 1243 N HA 0.239 4.982 4.740 0.005 0.000 0.184 1243 N C 0.873 176.374 175.510 -0.016 0.000 1.101 1243 N CA 0.940 53.906 53.050 -0.141 0.000 0.881 1243 N CB -0.217 37.996 38.487 -0.457 0.000 0.969 1243 N HN 0.963 nan 8.380 nan 0.000 0.459 1244 G N 0.845 109.628 108.800 -0.027 0.000 2.760 1244 G HA2 -0.204 3.760 3.960 0.005 0.000 0.246 1244 G HA3 -0.204 3.760 3.960 0.005 0.000 0.246 1244 G C -2.578 172.322 174.900 -0.001 0.000 1.359 1244 G CA -1.056 44.047 45.100 0.005 0.000 0.861 1244 G HN 0.083 nan 8.290 nan 0.000 0.541 1245 P HA 0.395 nan 4.420 nan 0.000 0.260 1245 P C -0.291 177.024 177.300 0.025 0.000 1.185 1245 P CA -0.037 63.071 63.100 0.012 0.000 0.763 1245 P CB 1.071 32.782 31.700 0.019 0.000 0.776 1246 V N 4.921 124.840 119.914 0.009 0.000 2.789 1246 V HA 0.116 4.240 4.120 0.005 0.000 0.311 1246 V C 1.197 177.289 176.094 -0.003 0.000 1.073 1246 V CA -0.697 61.615 62.300 0.019 0.000 0.921 1246 V CB 2.071 33.895 31.823 0.002 0.000 1.009 1246 V HN 0.404 nan 8.190 nan 0.000 0.426 1247 L N 4.000 125.219 121.223 -0.006 0.000 2.064 1247 L HA -0.196 4.147 4.340 0.005 0.000 0.216 1247 L C 1.729 178.546 176.870 -0.089 0.000 1.077 1247 L CA 2.642 57.449 54.840 -0.054 0.000 0.766 1247 L CB -0.507 41.516 42.059 -0.060 0.000 0.890 1247 L HN 0.900 nan 8.230 nan 0.000 0.435 1248 D N -0.431 119.936 120.400 -0.055 0.000 2.182 1248 D HA -0.192 4.452 4.640 0.005 0.000 0.201 1248 D C 1.791 178.069 176.300 -0.036 0.000 0.986 1248 D CA 1.377 55.351 54.000 -0.044 0.000 0.847 1248 D CB -0.188 40.597 40.800 -0.025 0.000 0.942 1248 D HN 0.494 nan 8.370 nan 0.000 0.467 1249 D N 0.546 120.927 120.400 -0.032 0.000 2.123 1249 D HA -0.140 4.503 4.640 0.005 0.000 0.196 1249 D C 1.420 177.714 176.300 -0.011 0.000 0.992 1249 D CA 0.950 54.937 54.000 -0.021 0.000 0.833 1249 D CB -0.232 40.557 40.800 -0.020 0.000 0.954 1249 D HN 0.282 nan 8.370 nan 0.000 0.455 1250 D N 0.491 120.879 120.400 -0.018 0.000 2.178 1250 D HA -0.058 4.585 4.640 0.005 0.000 0.202 1250 D C 2.327 178.642 176.300 0.024 0.000 0.974 1250 D CA 0.245 54.248 54.000 0.005 0.000 0.841 1250 D CB -0.233 40.568 40.800 0.002 0.000 0.953 1250 D HN 0.305 nan 8.370 nan 0.000 0.478 1251 I N 0.400 120.953 120.570 -0.028 0.000 2.226 1251 I HA -0.228 3.945 4.170 0.005 0.000 0.245 1251 I C 2.186 178.340 176.117 0.062 0.000 1.100 1251 I CA 0.818 62.143 61.300 0.041 0.000 1.374 1251 I CB -0.118 37.880 38.000 -0.003 0.000 1.057 1251 I HN -0.044 nan 8.210 nan 0.000 0.413 1252 L N 0.250 121.491 121.223 0.029 0.000 2.395 1252 L HA -0.010 4.333 4.340 0.005 0.000 0.218 1252 L C 2.360 179.247 176.870 0.030 0.000 1.130 1252 L CA 0.570 55.425 54.840 0.025 0.000 0.826 1252 L CB -0.362 41.699 42.059 0.003 0.000 0.941 1252 L HN 0.180 nan 8.230 nan 0.000 0.451 1253 A N -1.737 121.103 122.820 0.033 0.000 2.275 1253 A HA -0.034 4.289 4.320 0.005 0.000 0.212 1253 A C 0.695 178.307 177.584 0.046 0.000 1.201 1253 A CA -0.094 51.963 52.037 0.033 0.000 0.843 1253 A CB -0.253 18.763 19.000 0.027 0.000 0.873 1253 A HN 0.224 nan 8.150 nan 0.000 0.492 1254 D N 0.474 120.912 120.400 0.063 0.000 2.317 1254 D HA 0.177 4.820 4.640 0.005 0.000 0.252 1254 D C -1.808 174.529 176.300 0.061 0.000 1.174 1254 D CA -1.617 52.426 54.000 0.072 0.000 0.866 1254 D CB 1.463 42.326 40.800 0.105 0.000 1.127 1254 D HN 0.011 nan 8.370 nan 0.000 0.467 1255 P HA -0.078 nan 4.420 nan 0.000 0.220 1255 P C 0.631 177.960 177.300 0.049 0.000 1.148 1255 P CA 0.774 63.901 63.100 0.045 0.000 0.803 1255 P CB 0.401 32.120 31.700 0.033 0.000 0.782 1256 D N -0.763 119.666 120.400 0.048 0.000 2.183 1256 D HA -0.068 4.575 4.640 0.005 0.000 0.203 1256 D C 1.949 178.292 176.300 0.072 0.000 0.969 1256 D CA 0.831 54.860 54.000 0.048 0.000 0.842 1256 D CB -0.208 40.614 40.800 0.037 0.000 0.957 1256 D HN 0.120 nan 8.370 nan 0.000 0.484 1257 I N 1.358 121.977 120.570 0.081 0.000 2.202 1257 I HA -0.192 3.982 4.170 0.005 0.000 0.242 1257 I C 2.441 178.616 176.117 0.097 0.000 1.091 1257 I CA 1.006 62.363 61.300 0.095 0.000 1.368 1257 I CB -0.849 37.208 38.000 0.094 0.000 1.058 1257 I HN -0.008 nan 8.210 nan 0.000 0.410 1258 Q N 0.555 120.405 119.800 0.084 0.000 2.096 1258 Q HA -0.259 4.084 4.340 0.005 0.000 0.204 1258 Q C 2.064 178.147 176.000 0.138 0.000 0.982 1258 Q CA 1.726 57.582 55.803 0.089 0.000 0.850 1258 Q CB -0.376 28.403 28.738 0.069 0.000 0.901 1258 Q HN 0.614 nan 8.270 nan 0.000 0.422 1259 E N 0.285 120.566 120.200 0.136 0.000 2.038 1259 E HA -0.184 4.169 4.350 0.005 0.000 0.195 1259 E C 1.915 178.658 176.600 0.239 0.000 1.000 1259 E CA 1.244 57.752 56.400 0.180 0.000 0.803 1259 E CB -0.110 29.623 29.700 0.055 0.000 0.750 1259 E HN 0.277 nan 8.360 nan 0.000 0.448 1260 A N 0.966 123.899 122.820 0.189 0.000 1.948 1260 A HA -0.200 4.123 4.320 0.005 0.000 0.220 1260 A C 2.197 180.004 177.584 0.371 0.000 1.177 1260 A CA 1.777 53.960 52.037 0.244 0.000 0.636 1260 A CB -0.711 18.418 19.000 0.216 0.000 0.815 1260 A HN 0.416 nan 8.150 nan 0.000 0.449 1261 I N -0.421 120.315 120.570 0.277 0.000 2.286 1261 I HA -0.188 3.985 4.170 0.005 0.000 0.245 1261 I C 1.999 178.337 176.117 0.367 0.000 1.104 1261 I CA 1.103 62.555 61.300 0.252 0.000 1.397 1261 I CB -0.469 37.574 38.000 0.071 0.000 1.072 1261 I HN 0.259 nan 8.210 nan 0.000 0.417 1262 N N 0.352 119.215 118.700 0.272 0.000 2.216 1262 N HA -0.134 4.609 4.740 0.005 0.000 0.183 1262 N C 1.426 176.958 175.510 0.037 0.000 1.017 1262 N CA 1.352 54.502 53.050 0.166 0.000 0.861 1262 N CB -0.340 38.210 38.487 0.104 0.000 0.986 1262 N HN 0.462 nan 8.380 nan 0.000 0.428 1263 H N 0.371 119.547 119.070 0.177 0.000 2.594 1263 H HA 0.274 4.833 4.556 0.005 0.000 0.279 1263 H C -0.169 175.213 175.328 0.091 0.000 1.042 1263 H CA -0.193 55.926 56.048 0.119 0.000 1.177 1263 H CB 0.132 29.941 29.762 0.078 0.000 1.524 1263 H HN 0.083 nan 8.280 nan 0.000 0.537 1264 Q N 0.106 120.046 119.800 0.233 0.000 2.434 1264 Q HA -0.194 4.149 4.340 0.005 0.000 0.299 1264 Q C -0.220 175.756 176.000 -0.041 0.000 1.286 1264 Q CA 0.868 56.684 55.803 0.022 0.000 0.872 1264 Q CB -1.789 26.830 28.738 -0.199 0.000 1.193 1264 Q HN 0.412 nan 8.270 nan 0.000 0.466 1265 T N -0.613 113.994 114.554 0.089 0.000 2.867 1265 T HA 0.378 4.732 4.350 0.005 0.000 0.286 1265 T C 0.583 175.306 174.700 0.037 0.000 1.022 1265 T CA -0.435 61.693 62.100 0.046 0.000 0.933 1265 T CB 1.097 70.008 68.868 0.071 0.000 1.280 1265 T HN 0.082 nan 8.240 nan 0.000 0.566 1266 T N 1.330 115.901 114.554 0.027 0.000 2.875 1266 T HA 0.681 5.034 4.350 0.005 0.000 0.284 1266 T C -0.417 174.314 174.700 0.052 0.000 0.995 1266 T CA -0.496 61.624 62.100 0.034 0.000 1.060 1266 T CB 1.043 69.916 68.868 0.008 0.000 0.967 1266 T HN 0.764 nan 8.240 nan 0.000 0.476 1267 A N 2.201 125.061 122.820 0.067 0.000 2.594 1267 A HA 0.861 5.185 4.320 0.005 0.000 0.291 1267 A C -0.698 176.911 177.584 0.043 0.000 1.105 1267 A CA -0.792 51.278 52.037 0.055 0.000 0.694 1267 A CB 1.838 20.884 19.000 0.077 0.000 1.291 1267 A HN 0.671 nan 8.150 nan 0.000 0.410 1268 T N 1.827 116.391 114.554 0.016 0.000 3.032 1268 T HA 0.595 4.948 4.350 0.005 0.000 0.312 1268 T C -1.151 173.515 174.700 -0.056 0.000 1.078 1268 T CA -0.657 61.435 62.100 -0.014 0.000 1.028 1268 T CB 1.380 70.229 68.868 -0.032 0.000 1.091 1268 T HN 0.568 nan 8.240 nan 0.000 0.457 1269 K N 1.756 122.100 120.400 -0.094 0.000 2.508 1269 K HA 0.777 5.101 4.320 0.005 0.000 0.260 1269 K C -1.005 175.350 176.600 -0.409 0.000 0.949 1269 K CA -0.788 55.358 56.287 -0.234 0.000 0.834 1269 K CB 2.506 34.945 32.500 -0.103 0.000 1.365 1269 K HN 0.589 nan 8.250 nan 0.000 0.437 1270 T N 1.592 115.738 114.554 -0.681 0.000 2.886 1270 T HA 0.659 5.012 4.350 0.005 0.000 0.292 1270 T C -1.355 172.897 174.700 -0.746 0.000 1.012 1270 T CA -0.581 61.189 62.100 -0.551 0.000 0.982 1270 T CB 0.652 69.340 68.868 -0.300 0.000 1.018 1270 T HN 0.354 nan 8.240 nan 0.000 0.451 1271 Y N 0.374 120.610 120.300 -0.107 0.000 2.534 1271 Y HA 0.638 5.191 4.550 0.005 0.000 0.345 1271 Y C 0.043 176.051 175.900 0.180 0.000 1.031 1271 Y CA -1.417 56.730 58.100 0.079 0.000 1.022 1271 Y CB 1.719 40.306 38.460 0.212 0.000 1.292 1271 Y HN 0.480 nan 8.280 nan 0.000 0.459 1272 R N 2.166 122.854 120.500 0.314 0.000 2.390 1272 R HA 0.638 4.982 4.340 0.005 0.000 0.291 1272 R C -1.653 174.809 176.300 0.269 0.000 1.070 1272 R CA 0.009 56.254 56.100 0.242 0.000 1.014 1272 R CB 0.347 30.739 30.300 0.153 0.000 1.007 1272 R HN 0.751 nan 8.270 nan 0.000 0.466 1273 L N 4.565 125.922 121.223 0.225 0.000 2.319 1273 L HA 0.690 5.033 4.340 0.005 0.000 0.267 1273 L C -0.545 176.372 176.870 0.078 0.000 1.011 1273 L CA -1.317 53.610 54.840 0.145 0.000 0.818 1273 L CB 2.009 44.126 42.059 0.097 0.000 1.316 1273 L HN 0.565 nan 8.230 nan 0.000 0.432 1274 V N -1.907 118.031 119.914 0.039 0.000 3.160 1274 V HA 0.368 4.492 4.120 0.005 0.000 0.310 1274 V C 0.379 176.463 176.094 -0.017 0.000 1.181 1274 V CA -0.592 61.718 62.300 0.016 0.000 1.047 1274 V CB 1.603 33.437 31.823 0.019 0.000 1.068 1274 V HN 0.878 nan 8.190 nan 0.000 0.441 1275 N N 0.137 118.824 118.700 -0.022 0.000 2.348 1275 N HA -0.204 4.540 4.740 0.005 0.000 0.185 1275 N C 1.285 176.725 175.510 -0.117 0.000 1.019 1275 N CA 1.828 54.850 53.050 -0.046 0.000 0.880 1275 N CB -0.467 38.017 38.487 -0.005 0.000 0.965 1275 N HN 0.974 nan 8.380 nan 0.000 0.437 1276 T N -3.787 110.698 114.554 -0.115 0.000 3.072 1276 T HA -0.046 4.308 4.350 0.005 0.000 0.266 1276 T C 0.149 174.741 174.700 -0.179 0.000 1.127 1276 T CA 0.268 62.237 62.100 -0.218 0.000 1.107 1276 T CB -0.272 68.531 68.868 -0.109 0.000 0.910 1276 T HN 0.090 nan 8.240 nan 0.000 0.513 1277 D N 2.805 123.148 120.400 -0.095 0.000 2.383 1277 D HA 0.287 4.931 4.640 0.005 0.000 0.245 1277 D C 0.105 176.370 176.300 -0.057 0.000 1.263 1277 D CA 0.111 54.080 54.000 -0.051 0.000 0.936 1277 D CB 0.610 41.397 40.800 -0.023 0.000 1.053 1277 D HN 0.464 nan 8.370 nan 0.000 0.507 1278 R N 0.082 120.550 120.500 -0.053 0.000 2.787 1278 R HA 0.378 4.721 4.340 0.005 0.000 0.271 1278 R C 0.576 176.943 176.300 0.112 0.000 0.993 1278 R CA -0.752 55.322 56.100 -0.044 0.000 0.993 1278 R CB 0.918 31.048 30.300 -0.283 0.000 1.155 1278 R HN 0.138 nan 8.270 nan 0.000 0.486 1279 T N -1.094 113.532 114.554 0.121 0.000 3.852 1279 T HA -0.159 4.194 4.350 0.005 0.000 0.361 1279 T C 0.306 175.024 174.700 0.030 0.000 0.759 1279 T CA 0.867 63.042 62.100 0.125 0.000 1.899 1279 T CB -2.099 66.918 68.868 0.247 0.000 1.822 1279 T HN 0.544 nan 8.240 nan 0.000 0.778 1280 V N -1.073 118.811 119.914 -0.051 0.000 2.637 1280 V HA 0.615 4.739 4.120 0.005 0.000 0.296 1280 V C 1.358 177.292 176.094 -0.266 0.000 1.046 1280 V CA 1.087 63.290 62.300 -0.162 0.000 1.066 1280 V CB 0.917 32.572 31.823 -0.279 0.000 0.968 1280 V HN 1.456 nan 8.190 nan 0.000 0.483 1281 G N 3.609 112.333 108.800 -0.126 0.000 2.307 1281 G HA2 -0.267 3.696 3.960 0.005 0.000 0.210 1281 G HA3 -0.267 3.696 3.960 0.005 0.000 0.210 1281 G C 0.771 175.656 174.900 -0.026 0.000 1.005 1281 G CA 0.449 45.500 45.100 -0.081 0.000 0.634 1281 G HN 1.077 nan 8.290 nan 0.000 0.496 1282 T N 0.194 114.740 114.554 -0.014 0.000 2.978 1282 T HA 0.099 4.452 4.350 0.005 0.000 0.262 1282 T C 2.097 176.810 174.700 0.021 0.000 1.063 1282 T CA 1.493 63.619 62.100 0.043 0.000 1.140 1282 T CB 0.039 68.968 68.868 0.102 0.000 0.886 1282 T HN 0.402 nan 8.240 nan 0.000 0.470 1283 R N 0.564 121.062 120.500 -0.003 0.000 2.120 1283 R HA -0.011 4.332 4.340 0.005 0.000 0.234 1283 R C 2.258 178.543 176.300 -0.026 0.000 1.123 1283 R CA 0.961 57.047 56.100 -0.025 0.000 0.975 1283 R CB -0.364 29.915 30.300 -0.035 0.000 0.866 1283 R HN 0.272 nan 8.270 nan 0.000 0.446 1284 L N 0.180 121.395 121.223 -0.013 0.000 2.072 1284 L HA -0.029 4.314 4.340 0.005 0.000 0.205 1284 L C 1.867 178.717 176.870 -0.033 0.000 1.079 1284 L CA 1.755 56.584 54.840 -0.018 0.000 0.752 1284 L CB -0.368 41.696 42.059 0.009 0.000 0.906 1284 L HN 0.058 nan 8.230 nan 0.000 0.436 1285 S N 0.124 115.820 115.700 -0.007 0.000 2.374 1285 S HA -0.163 4.311 4.470 0.005 0.000 0.227 1285 S C 1.904 176.490 174.600 -0.023 0.000 1.037 1285 S CA 1.281 59.482 58.200 0.001 0.000 1.024 1285 S CB -1.182 62.051 63.200 0.054 0.000 0.861 1285 S HN 0.711 nan 8.310 nan 0.000 0.456 1286 G N 1.129 109.908 108.800 -0.036 0.000 2.402 1286 G HA2 0.013 3.976 3.960 0.005 0.000 0.216 1286 G HA3 0.013 3.976 3.960 0.005 0.000 0.216 1286 G C 1.555 176.411 174.900 -0.074 0.000 1.162 1286 G CA 0.822 45.883 45.100 -0.065 0.000 0.777 1286 G HN 0.584 nan 8.290 nan 0.000 0.539 1287 A N 0.785 123.561 122.820 -0.074 0.000 1.902 1287 A HA 0.047 4.371 4.320 0.005 0.000 0.217 1287 A C 2.386 179.904 177.584 -0.109 0.000 1.181 1287 A CA 1.296 53.280 52.037 -0.088 0.000 0.623 1287 A CB -0.362 18.592 19.000 -0.076 0.000 0.818 1287 A HN 0.361 nan 8.150 nan 0.000 0.443 1288 I N -0.146 120.354 120.570 -0.117 0.000 2.127 1288 I HA -0.296 3.877 4.170 0.005 0.000 0.241 1288 I C 2.949 179.060 176.117 -0.010 0.000 1.075 1288 I CA 1.335 62.560 61.300 -0.125 0.000 1.334 1288 I CB -0.300 37.546 38.000 -0.256 0.000 1.040 1288 I HN 0.336 nan 8.210 nan 0.000 0.405 1289 A N 0.208 123.021 122.820 -0.011 0.000 1.969 1289 A HA -0.229 4.094 4.320 0.005 0.000 0.218 1289 A C 2.346 179.916 177.584 -0.022 0.000 1.169 1289 A CA 1.650 53.702 52.037 0.025 0.000 0.635 1289 A CB -0.515 18.495 19.000 0.017 0.000 0.810 1289 A HN 0.342 nan 8.150 nan 0.000 0.445 1290 K N -0.043 120.312 120.400 -0.076 0.000 2.044 1290 K HA -0.205 4.118 4.320 0.005 0.000 0.210 1290 K C 2.022 178.531 176.600 -0.152 0.000 1.049 1290 K CA 2.002 58.224 56.287 -0.109 0.000 0.927 1290 K CB -0.163 32.267 32.500 -0.117 0.000 0.713 1290 K HN 0.437 nan 8.250 nan 0.000 0.443 1291 K N -1.297 118.952 120.400 -0.252 0.000 2.116 1291 K HA -0.094 4.229 4.320 0.005 0.000 0.203 1291 K C 1.113 177.385 176.600 -0.548 0.000 1.052 1291 K CA 1.347 57.317 56.287 -0.530 0.000 0.952 1291 K CB 0.202 32.139 32.500 -0.939 0.000 0.729 1291 K HN 0.282 nan 8.250 nan 0.000 0.446 1292 Y N -1.021 119.292 120.300 0.023 0.000 2.499 1292 Y HA 0.211 4.764 4.550 0.005 0.000 0.253 1292 Y C 0.893 176.838 175.900 0.074 0.000 1.105 1292 Y CA -0.236 57.905 58.100 0.067 0.000 1.240 1292 Y CB 1.342 39.878 38.460 0.127 0.000 1.289 1292 Y HN 0.140 nan 8.280 nan 0.000 0.534 1293 G N 1.455 110.355 108.800 0.167 0.000 2.645 1293 G HA2 -0.355 3.608 3.960 0.005 0.000 0.246 1293 G HA3 -0.355 3.608 3.960 0.005 0.000 0.246 1293 G C 0.466 175.463 174.900 0.161 0.000 1.322 1293 G CA 0.313 45.504 45.100 0.152 0.000 0.898 1293 G HN 0.271 nan 8.290 nan 0.000 0.573 1294 N N 1.292 120.079 118.700 0.144 0.000 2.270 1294 N HA -0.032 4.711 4.740 0.005 0.000 0.181 1294 N C 1.497 177.086 175.510 0.133 0.000 1.016 1294 N CA 1.635 54.762 53.050 0.129 0.000 0.870 1294 N CB -0.166 38.388 38.487 0.112 0.000 0.979 1294 N HN 0.564 nan 8.380 nan 0.000 0.431 1295 N N -1.312 117.467 118.700 0.132 0.000 2.143 1295 N HA 0.138 4.881 4.740 0.005 0.000 0.229 1295 N C 1.159 176.732 175.510 0.105 0.000 1.294 1295 N CA 0.105 53.220 53.050 0.108 0.000 0.883 1295 N CB 0.849 39.382 38.487 0.076 0.000 1.148 1295 N HN 0.124 nan 8.380 nan 0.000 0.511 1296 G N 0.183 109.076 108.800 0.154 0.000 2.551 1296 G HA2 -0.051 3.913 3.960 0.005 0.000 0.216 1296 G HA3 -0.051 3.913 3.960 0.005 0.000 0.216 1296 G C 0.187 175.090 174.900 0.004 0.000 1.137 1296 G CA -0.119 45.060 45.100 0.131 0.000 0.798 1296 G HN 0.173 nan 8.290 nan 0.000 0.536 1297 F N 1.916 121.759 119.950 -0.177 0.000 2.506 1297 F HA 0.306 4.837 4.527 0.005 0.000 0.371 1297 F C 1.029 176.687 175.800 -0.237 0.000 1.078 1297 F CA -0.858 56.894 58.000 -0.413 0.000 1.195 1297 F CB 0.878 39.753 39.000 -0.207 0.000 1.099 1297 F HN 0.125 nan 8.300 nan 0.000 0.548 1298 E N 3.327 123.078 120.200 -0.748 0.000 2.481 1298 E HA 0.188 4.541 4.350 0.005 0.000 0.198 1298 E C 1.068 177.233 176.600 -0.724 0.000 1.027 1298 E CA -0.158 55.911 56.400 -0.551 0.000 0.900 1298 E CB 0.418 29.929 29.700 -0.315 0.000 0.993 1298 E HN 0.797 nan 8.360 nan 0.000 0.482 1299 G N 1.101 109.014 108.800 -1.477 0.000 2.510 1299 G HA2 0.223 4.186 3.960 0.005 0.000 0.280 1299 G HA3 0.223 4.186 3.960 0.005 0.000 0.280 1299 G C -0.385 174.143 174.900 -0.621 0.000 1.386 1299 G CA -0.312 44.166 45.100 -1.036 0.000 1.047 1299 G HN 0.042 nan 8.290 nan 0.000 0.527 1300 N N -1.129 117.473 118.700 -0.162 0.000 2.572 1300 N HA 0.274 5.017 4.740 0.005 0.000 0.287 1300 N C -1.636 173.952 175.510 0.131 0.000 1.136 1300 N CA -0.479 52.585 53.050 0.023 0.000 0.900 1300 N CB 1.117 39.590 38.487 -0.022 0.000 1.484 1300 N HN 0.294 nan 8.380 nan 0.000 0.526 1301 I N 2.146 122.838 120.570 0.203 0.000 2.355 1301 I HA 0.304 4.477 4.170 0.005 0.000 0.288 1301 I C 0.056 176.252 176.117 0.130 0.000 0.999 1301 I CA -0.325 61.077 61.300 0.170 0.000 1.163 1301 I CB 1.812 39.930 38.000 0.196 0.000 1.316 1301 I HN 0.300 nan 8.210 nan 0.000 0.454 1302 T N 7.588 122.197 114.554 0.093 0.000 2.799 1302 T HA 0.590 4.944 4.350 0.005 0.000 0.286 1302 T C -0.235 174.496 174.700 0.053 0.000 0.973 1302 T CA -0.365 61.782 62.100 0.078 0.000 1.035 1302 T CB 0.719 69.616 68.868 0.048 0.000 0.932 1302 T HN 0.280 nan 8.240 nan 0.000 0.469 1303 L N 4.476 125.740 121.223 0.068 0.000 2.372 1303 L HA 0.452 4.796 4.340 0.005 0.000 0.273 1303 L C -0.222 176.521 176.870 -0.212 0.000 0.989 1303 L CA -0.941 53.867 54.840 -0.052 0.000 0.841 1303 L CB 1.166 43.295 42.059 0.115 0.000 1.225 1303 L HN 0.510 nan 8.230 nan 0.000 0.414 1304 N N 3.477 121.966 118.700 -0.352 0.000 2.438 1304 N HA 0.582 5.325 4.740 0.005 0.000 0.282 1304 N C -1.024 174.206 175.510 -0.467 0.000 1.037 1304 N CA -0.140 52.772 53.050 -0.230 0.000 0.942 1304 N CB 1.907 40.305 38.487 -0.149 0.000 1.136 1304 N HN 0.221 nan 8.380 nan 0.000 0.481 1305 F N 0.159 120.265 119.950 0.261 0.000 2.561 1305 F HA 0.413 4.943 4.527 0.006 0.000 0.321 1305 F C 0.477 176.367 175.800 0.150 0.000 1.065 1305 F CA -0.807 57.328 58.000 0.224 0.000 0.934 1305 F CB 1.897 41.050 39.000 0.255 0.000 1.215 1305 F HN 0.060 nan 8.300 nan 0.000 0.471 1306 Q N 0.976 120.959 119.800 0.305 0.000 2.323 1306 Q HA 0.643 4.986 4.340 0.005 0.000 0.271 1306 Q C -0.126 175.994 176.000 0.201 0.000 1.048 1306 Q CA -0.601 55.332 55.803 0.217 0.000 0.792 1306 Q CB 2.616 31.461 28.738 0.179 0.000 1.280 1306 Q HN 0.985 nan 8.270 nan 0.000 0.441 1307 G N 1.217 110.134 108.800 0.194 0.000 2.265 1307 G HA2 0.142 4.105 3.960 0.005 0.000 0.246 1307 G HA3 0.142 4.105 3.960 0.005 0.000 0.246 1307 G C -1.613 173.333 174.900 0.076 0.000 1.299 1307 G CA -0.427 44.776 45.100 0.173 0.000 1.117 1307 G HN 0.693 nan 8.290 nan 0.000 0.485 1308 A N -0.041 122.804 122.820 0.041 0.000 2.280 1308 A HA 0.916 5.240 4.320 0.005 0.000 0.320 1308 A C 0.696 178.239 177.584 -0.070 0.000 1.366 1308 A CA 1.094 53.118 52.037 -0.021 0.000 0.938 1308 A CB 0.200 19.203 19.000 0.006 0.000 1.157 1308 A HN 2.434 nan 8.150 nan 0.000 0.536 1309 A N 2.499 125.221 122.820 -0.164 0.000 2.462 1309 A HA 0.554 4.877 4.320 0.005 0.000 0.243 1309 A C 1.004 178.533 177.584 -0.092 0.000 1.076 1309 A CA 0.438 52.368 52.037 -0.179 0.000 0.773 1309 A CB 0.003 18.752 19.000 -0.419 0.000 1.010 1309 A HN 1.432 nan 8.150 nan 0.000 0.493 1310 G N 0.398 109.164 108.800 -0.056 0.000 2.563 1310 G HA2 0.442 4.406 3.960 0.005 0.000 0.283 1310 G HA3 0.442 4.406 3.960 0.005 0.000 0.283 1310 G C -0.058 174.831 174.900 -0.020 0.000 1.309 1310 G CA -0.652 44.410 45.100 -0.064 0.000 1.022 1310 G HN 0.859 nan 8.290 nan 0.000 0.501 1311 Q N -0.443 119.338 119.800 -0.030 0.000 2.369 1311 Q HA 0.096 4.439 4.340 0.005 0.000 0.295 1311 Q C 0.447 176.515 176.000 0.114 0.000 1.075 1311 Q CA 1.160 56.974 55.803 0.018 0.000 0.941 1311 Q CB 0.465 29.244 28.738 0.067 0.000 1.260 1311 Q HN 0.629 nan 8.270 nan 0.000 0.417 1312 S N 0.200 116.013 115.700 0.188 0.000 3.635 1312 S HA -0.221 4.252 4.470 0.005 0.000 0.328 1312 S C -0.127 174.548 174.600 0.124 0.000 1.135 1312 S CA 0.503 58.813 58.200 0.184 0.000 0.942 1312 S CB -1.857 61.451 63.200 0.181 0.000 0.930 1312 S HN 0.605 nan 8.310 nan 0.000 0.512 1313 F N 2.424 122.368 119.950 -0.011 0.000 2.602 1313 F HA 0.402 4.932 4.527 0.005 0.000 0.385 1313 F C 1.374 177.159 175.800 -0.025 0.000 1.063 1313 F CA 1.159 59.129 58.000 -0.049 0.000 1.233 1313 F CB -0.025 38.932 39.000 -0.072 0.000 1.067 1313 F HN 0.558 nan 8.300 nan 0.000 0.564 1314 G N 4.087 112.483 108.800 -0.674 0.000 2.179 1314 G HA2 -0.158 3.805 3.960 0.005 0.000 0.257 1314 G HA3 -0.158 3.805 3.960 0.005 0.000 0.257 1314 G C 0.273 175.048 174.900 -0.207 0.000 1.010 1314 G CA -0.004 44.812 45.100 -0.473 0.000 0.736 1314 G HN 1.383 nan 8.290 nan 0.000 0.513 1315 A N -0.704 122.024 122.820 -0.154 0.000 2.546 1315 A HA 0.588 4.912 4.320 0.005 0.000 0.243 1315 A C 1.091 178.607 177.584 -0.113 0.000 1.063 1315 A CA 1.066 52.966 52.037 -0.228 0.000 0.757 1315 A CB -0.342 18.560 19.000 -0.164 0.000 0.991 1315 A HN 1.533 nan 8.150 nan 0.000 0.503 1316 F N -0.613 119.318 119.950 -0.032 0.000 3.074 1316 F HA -0.216 4.314 4.527 0.005 0.000 0.289 1316 F C 0.706 176.492 175.800 -0.022 0.000 0.863 1316 F CA 0.751 58.735 58.000 -0.026 0.000 1.121 1316 F CB -2.121 36.865 39.000 -0.022 0.000 1.169 1316 F HN 0.782 nan 8.300 nan 0.000 0.570 1317 N N 1.423 120.157 118.700 0.056 0.000 2.356 1317 N HA 0.332 5.075 4.740 0.005 0.000 0.252 1317 N C -0.090 175.466 175.510 0.076 0.000 1.241 1317 N CA 0.496 53.572 53.050 0.042 0.000 0.861 1317 N CB 0.479 38.965 38.487 -0.002 0.000 1.075 1317 N HN 0.350 nan 8.380 nan 0.000 0.461 1318 L N 1.253 122.527 121.223 0.085 0.000 2.304 1318 L HA 0.388 4.731 4.340 0.005 0.000 0.268 1318 L C 0.022 176.965 176.870 0.121 0.000 1.010 1318 L CA -1.195 53.709 54.840 0.105 0.000 0.813 1318 L CB 1.065 43.191 42.059 0.113 0.000 1.315 1318 L HN 0.486 nan 8.230 nan 0.000 0.445 1319 D N 0.781 121.259 120.400 0.130 0.000 2.488 1319 D HA 0.268 4.912 4.640 0.005 0.000 0.238 1319 D C 0.933 177.355 176.300 0.203 0.000 1.138 1319 D CA 1.643 55.722 54.000 0.132 0.000 0.873 1319 D CB 1.040 41.902 40.800 0.104 0.000 1.183 1319 D HN 0.780 nan 8.370 nan 0.000 0.458 1320 G N 1.976 110.872 108.800 0.161 0.000 2.176 1320 G HA2 -0.279 3.685 3.960 0.005 0.000 0.253 1320 G HA3 -0.279 3.685 3.960 0.005 0.000 0.253 1320 G C 0.305 175.353 174.900 0.247 0.000 0.979 1320 G CA 0.092 45.319 45.100 0.211 0.000 0.641 1320 G HN 0.465 nan 8.290 nan 0.000 0.530 1321 M N 1.852 121.563 119.600 0.184 0.000 2.149 1321 M HA 0.474 4.957 4.480 0.005 0.000 0.342 1321 M C -0.508 175.867 176.300 0.124 0.000 1.068 1321 M CA -0.138 55.252 55.300 0.151 0.000 0.991 1321 M CB 1.898 34.568 32.600 0.117 0.000 1.596 1321 M HN 0.040 nan 8.290 nan 0.000 0.439 1322 T N 5.044 119.676 114.554 0.130 0.000 2.770 1322 T HA 0.617 4.971 4.350 0.005 0.000 0.283 1322 T C -0.417 174.385 174.700 0.170 0.000 0.988 1322 T CA -0.599 61.579 62.100 0.131 0.000 0.957 1322 T CB 0.795 69.735 68.868 0.121 0.000 0.930 1322 T HN 0.496 nan 8.240 nan 0.000 0.443 1323 L N 3.755 125.098 121.223 0.200 0.000 2.325 1323 L HA 0.494 4.838 4.340 0.005 0.000 0.281 1323 L C -0.361 176.761 176.870 0.419 0.000 1.004 1323 L CA -0.891 54.145 54.840 0.327 0.000 0.823 1323 L CB 1.297 43.489 42.059 0.221 0.000 1.236 1323 L HN 0.716 nan 8.230 nan 0.000 0.415 1324 H N 3.785 123.070 119.070 0.358 0.000 2.505 1324 H HA 0.580 5.140 4.556 0.006 0.000 0.338 1324 H C -1.357 174.174 175.328 0.338 0.000 1.057 1324 H CA -0.679 55.535 56.048 0.277 0.000 1.202 1324 H CB 1.786 31.634 29.762 0.143 0.000 1.466 1324 H HN 0.425 nan 8.280 nan 0.000 0.499 1325 L N 4.978 126.242 121.223 0.067 0.000 2.372 1325 L HA 0.318 4.661 4.340 0.005 0.000 0.274 1325 L C -1.006 175.805 176.870 -0.098 0.000 0.988 1325 L CA -0.395 54.456 54.840 0.018 0.000 0.833 1325 L CB 1.676 43.536 42.059 -0.332 0.000 1.236 1325 L HN 0.781 nan 8.230 nan 0.000 0.410 1326 Q N 4.381 124.204 119.800 0.038 0.000 2.390 1326 Q HA 0.631 4.975 4.340 0.005 0.000 0.249 1326 Q C -0.032 175.828 176.000 -0.234 0.000 0.996 1326 Q CA 0.439 56.212 55.803 -0.050 0.000 0.899 1326 Q CB 0.680 29.482 28.738 0.108 0.000 1.216 1326 Q HN 1.029 nan 8.270 nan 0.000 0.465 1327 G N 3.412 111.947 108.800 -0.441 0.000 2.104 1327 G HA2 -0.034 3.930 3.960 0.005 0.000 0.055 1327 G HA3 -0.034 3.930 3.960 0.005 0.000 0.055 1327 G C -1.279 173.483 174.900 -0.231 0.000 0.815 1327 G CA 0.071 44.874 45.100 -0.496 0.000 1.125 1327 G HN 0.664 nan 8.290 nan 0.000 0.379 1328 E N -0.545 119.571 120.200 -0.141 0.000 2.429 1328 E HA 0.668 5.021 4.350 0.005 0.000 0.280 1328 E C -0.873 175.632 176.600 -0.158 0.000 1.068 1328 E CA -0.549 55.782 56.400 -0.116 0.000 0.837 1328 E CB 1.534 31.200 29.700 -0.057 0.000 1.357 1328 E HN 1.730 nan 8.360 nan 0.000 0.455 1329 A N 1.143 123.877 122.820 -0.142 0.000 2.454 1329 A HA 0.584 4.907 4.320 0.005 0.000 0.302 1329 A C -0.655 176.872 177.584 -0.095 0.000 1.079 1329 A CA -0.828 51.119 52.037 -0.150 0.000 0.731 1329 A CB 1.425 20.325 19.000 -0.166 0.000 1.299 1329 A HN 0.609 nan 8.150 nan 0.000 0.413 1330 N N 0.107 118.754 118.700 -0.089 0.000 2.465 1330 N HA 0.167 4.910 4.740 0.005 0.000 0.294 1330 N C -0.714 174.703 175.510 -0.155 0.000 1.333 1330 N CA -0.386 52.599 53.050 -0.109 0.000 0.932 1330 N CB 0.086 38.515 38.487 -0.097 0.000 1.092 1330 N HN 0.690 nan 8.380 nan 0.000 0.519 1331 D N -0.203 120.012 120.400 -0.309 0.000 2.361 1331 D HA 0.053 4.696 4.640 0.005 0.000 0.239 1331 D C -0.085 175.963 176.300 -0.420 0.000 1.200 1331 D CA 0.681 54.347 54.000 -0.556 0.000 0.915 1331 D CB 0.071 40.173 40.800 -1.163 0.000 1.170 1331 D HN 0.507 nan 8.370 nan 0.000 0.444 1332 Y N -2.854 117.460 120.300 0.023 0.000 3.892 1332 Y HA -0.232 4.321 4.550 0.005 0.000 0.231 1332 Y C 0.100 176.010 175.900 0.017 0.000 1.266 1332 Y CA -0.725 57.381 58.100 0.011 0.000 1.856 1332 Y CB -2.112 36.354 38.460 0.009 0.000 1.578 1332 Y HN 0.033 nan 8.280 nan 0.000 0.669 1333 V N 1.060 121.058 119.914 0.140 0.000 2.493 1333 V HA 0.243 4.367 4.120 0.005 0.000 0.292 1333 V C 1.434 177.572 176.094 0.074 0.000 1.016 1333 V CA 1.362 63.749 62.300 0.146 0.000 1.097 1333 V CB 0.666 32.593 31.823 0.173 0.000 0.947 1333 V HN 0.934 nan 8.190 nan 0.000 0.479 1334 G N 3.691 112.503 108.800 0.019 0.000 2.198 1334 G HA2 -0.295 3.668 3.960 0.005 0.000 0.260 1334 G HA3 -0.295 3.668 3.960 0.005 0.000 0.260 1334 G C 0.348 175.155 174.900 -0.156 0.000 1.025 1334 G CA 0.486 45.543 45.100 -0.072 0.000 0.769 1334 G HN 0.852 nan 8.290 nan 0.000 0.507 1335 K N 0.417 120.714 120.400 -0.173 0.000 2.491 1335 K HA 0.322 4.645 4.320 0.005 0.000 0.279 1335 K C 1.654 177.827 176.600 -0.713 0.000 1.026 1335 K CA 0.918 57.029 56.287 -0.294 0.000 1.070 1335 K CB -0.396 31.968 32.500 -0.228 0.000 0.887 1335 K HN 1.528 nan 8.250 nan 0.000 0.481 1336 G N 4.341 112.783 108.800 -0.597 0.000 2.269 1336 G HA2 -0.342 3.622 3.960 0.005 0.000 0.277 1336 G HA3 -0.342 3.622 3.960 0.005 0.000 0.277 1336 G C 0.237 174.952 174.900 -0.308 0.000 1.008 1336 G CA 0.719 45.481 45.100 -0.564 0.000 0.774 1336 G HN 0.781 nan 8.290 nan 0.000 0.511 1337 M N -0.221 119.232 119.600 -0.245 0.000 2.245 1337 M HA 0.197 4.680 4.480 0.005 0.000 0.335 1337 M C 1.190 177.480 176.300 -0.016 0.000 1.155 1337 M CA 1.565 56.804 55.300 -0.101 0.000 1.055 1337 M CB 0.292 32.839 32.600 -0.088 0.000 1.670 1337 M HN 0.254 nan 8.290 nan 0.000 0.447 1338 N N 1.854 120.577 118.700 0.039 0.000 2.193 1338 N HA 0.395 5.138 4.740 0.005 0.000 0.210 1338 N C -0.421 175.120 175.510 0.052 0.000 1.215 1338 N CA 0.390 53.475 53.050 0.058 0.000 0.901 1338 N CB 1.077 39.626 38.487 0.102 0.000 1.060 1338 N HN 0.811 nan 8.380 nan 0.000 0.508 1339 G N -1.735 107.095 108.800 0.050 0.000 2.349 1339 G HA2 0.474 4.437 3.960 0.005 0.000 0.294 1339 G HA3 0.474 4.437 3.960 0.005 0.000 0.294 1339 G C -0.225 174.712 174.900 0.061 0.000 1.380 1339 G CA -0.096 45.039 45.100 0.058 0.000 0.811 1339 G HN 0.600 nan 8.290 nan 0.000 0.519 1340 G N -0.884 107.960 108.800 0.073 0.000 2.698 1340 G HA2 0.159 4.122 3.960 0.005 0.000 0.233 1340 G HA3 0.159 4.122 3.960 0.005 0.000 0.233 1340 G C -0.437 174.504 174.900 0.068 0.000 1.352 1340 G CA 0.339 45.487 45.100 0.080 0.000 0.879 1340 G HN 1.101 nan 8.290 nan 0.000 0.567 1341 E N -0.834 119.410 120.200 0.073 0.000 2.272 1341 E HA 0.591 4.944 4.350 0.005 0.000 0.269 1341 E C -0.696 175.951 176.600 0.078 0.000 0.877 1341 E CA -0.740 55.700 56.400 0.068 0.000 0.755 1341 E CB 2.259 31.988 29.700 0.049 0.000 1.192 1341 E HN 0.511 nan 8.360 nan 0.000 0.422 1342 I N 2.169 122.788 120.570 0.082 0.000 2.406 1342 I HA 0.360 4.534 4.170 0.005 0.000 0.290 1342 I C -0.703 175.512 176.117 0.163 0.000 0.999 1342 I CA -1.045 60.340 61.300 0.141 0.000 1.124 1342 I CB 1.822 39.908 38.000 0.145 0.000 1.289 1342 I HN 0.162 nan 8.210 nan 0.000 0.441 1343 V N 7.459 127.459 119.914 0.145 0.000 2.540 1343 V HA 0.537 4.660 4.120 0.005 0.000 0.302 1343 V C -0.289 175.756 176.094 -0.081 0.000 1.035 1343 V CA -0.455 61.874 62.300 0.048 0.000 0.873 1343 V CB 2.158 33.964 31.823 -0.029 0.000 0.992 1343 V HN 0.480 nan 8.190 nan 0.000 0.428 1344 I N 5.803 126.341 120.570 -0.054 0.000 2.500 1344 I HA 0.634 4.808 4.170 0.005 0.000 0.286 1344 I C -0.698 175.363 176.117 -0.093 0.000 1.063 1344 I CA -0.854 60.384 61.300 -0.103 0.000 1.062 1344 I CB 2.059 40.036 38.000 -0.038 0.000 1.223 1344 I HN 0.503 nan 8.210 nan 0.000 0.435 1345 V N 4.375 124.200 119.914 -0.149 0.000 2.962 1345 V HA 0.762 4.885 4.120 0.005 0.000 0.313 1345 V C -2.776 173.250 176.094 -0.113 0.000 1.099 1345 V CA -2.183 60.061 62.300 -0.093 0.000 0.971 1345 V CB 2.123 33.904 31.823 -0.069 0.000 1.028 1345 V HN 0.432 nan 8.190 nan 0.000 0.430 1346 P HA 0.241 nan 4.420 nan 0.000 0.274 1346 P C -0.516 176.670 177.300 -0.189 0.000 1.256 1346 P CA -0.111 62.921 63.100 -0.114 0.000 0.795 1346 P CB 0.250 31.959 31.700 0.015 0.000 1.038 1347 H N 1.056 120.125 119.070 -0.002 0.000 3.001 1347 H HA -0.004 4.556 4.556 0.006 0.000 0.334 1347 H C -1.214 174.073 175.328 -0.069 0.000 1.034 1347 H CA -0.663 55.372 56.048 -0.021 0.000 1.420 1347 H CB -0.355 29.396 29.762 -0.017 0.000 1.405 1347 H HN 0.369 nan 8.280 nan 0.000 0.593 1348 P HA -0.117 nan 4.420 nan 0.000 0.226 1348 P C 0.671 177.948 177.300 -0.037 0.000 1.153 1348 P CA 1.024 64.119 63.100 -0.008 0.000 0.777 1348 P CB 0.251 31.955 31.700 0.008 0.000 0.794 1349 Q N 0.249 120.039 119.800 -0.016 0.000 2.364 1349 Q HA 0.087 4.430 4.340 0.005 0.000 0.207 1349 Q C 1.133 177.066 176.000 -0.112 0.000 0.970 1349 Q CA 0.239 56.014 55.803 -0.045 0.000 0.888 1349 Q CB -0.759 27.963 28.738 -0.026 0.000 0.951 1349 Q HN 0.140 nan 8.270 nan 0.000 0.469 1350 A N 1.434 124.136 122.820 -0.197 0.000 2.598 1350 A HA -0.005 4.318 4.320 0.005 0.000 0.239 1350 A C 0.523 177.838 177.584 -0.449 0.000 1.032 1350 A CA 0.243 51.999 52.037 -0.468 0.000 0.760 1350 A CB 0.166 18.654 19.000 -0.854 0.000 0.946 1350 A HN 0.254 nan 8.150 nan 0.000 0.512 1351 S N 1.841 117.328 115.700 -0.355 0.000 2.667 1351 S HA 0.436 4.909 4.470 0.005 0.000 0.251 1351 S C -0.486 174.128 174.600 0.023 0.000 1.075 1351 S CA -0.007 58.125 58.200 -0.113 0.000 1.130 1351 S CB -1.141 62.069 63.200 0.016 0.000 0.795 1351 S HN 0.723 nan 8.310 nan 0.000 0.462 1352 F N -2.008 117.961 119.950 0.031 0.000 2.693 1352 F HA 0.786 5.316 4.527 0.006 0.000 0.309 1352 F C -0.611 175.204 175.800 0.024 0.000 1.129 1352 F CA -2.214 55.803 58.000 0.028 0.000 0.948 1352 F CB 0.502 39.518 39.000 0.027 0.000 1.315 1352 F HN -0.133 nan 8.300 nan 0.000 0.447 1353 A N 2.543 125.550 122.820 0.312 0.000 2.444 1353 A HA 0.519 4.843 4.320 0.005 0.000 0.273 1353 A C -1.916 175.866 177.584 0.329 0.000 1.136 1353 A CA -1.233 50.934 52.037 0.217 0.000 0.799 1353 A CB -0.340 18.745 19.000 0.142 0.000 1.081 1353 A HN 0.637 nan 8.150 nan 0.000 0.509 1354 P HA -0.240 nan 4.420 nan 0.000 0.216 1354 P C 1.348 178.754 177.300 0.177 0.000 1.150 1354 P CA 1.662 64.938 63.100 0.292 0.000 0.843 1354 P CB 0.181 31.972 31.700 0.152 0.000 0.787 1355 E N -0.486 119.787 120.200 0.123 0.000 2.347 1355 E HA -0.161 4.193 4.350 0.005 0.000 0.196 1355 E C 0.518 177.145 176.600 0.045 0.000 1.008 1355 E CA 1.115 57.562 56.400 0.077 0.000 0.852 1355 E CB -0.904 28.837 29.700 0.067 0.000 0.783 1355 E HN 0.249 nan 8.360 nan 0.000 0.505 1356 D N 0.737 121.167 120.400 0.051 0.000 2.328 1356 D HA 0.150 4.793 4.640 0.005 0.000 0.221 1356 D C -0.250 176.006 176.300 -0.073 0.000 1.072 1356 D CA 0.067 54.071 54.000 0.007 0.000 0.850 1356 D CB 0.133 40.952 40.800 0.032 0.000 0.922 1356 D HN 0.132 nan 8.370 nan 0.000 0.516 1357 N N -0.137 118.496 118.700 -0.112 0.000 2.242 1357 N HA 0.202 4.946 4.740 0.005 0.000 0.292 1357 N C -0.723 174.669 175.510 -0.198 0.000 1.125 1357 N CA -0.517 52.372 53.050 -0.269 0.000 0.783 1357 N CB 3.205 41.308 38.487 -0.640 0.000 1.558 1357 N HN -0.264 nan 8.380 nan 0.000 0.472 1358 V N 2.192 121.965 119.914 -0.235 0.000 2.637 1358 V HA 0.193 4.317 4.120 0.005 0.000 0.296 1358 V C 1.243 177.251 176.094 -0.143 0.000 1.046 1358 V CA 0.320 62.516 62.300 -0.173 0.000 1.066 1358 V CB 1.083 32.782 31.823 -0.207 0.000 0.968 1358 V HN 0.728 nan 8.190 nan 0.000 0.483 1359 I N 3.880 124.399 120.570 -0.085 0.000 4.770 1359 I HA 0.334 4.507 4.170 0.005 0.000 0.327 1359 I C 0.349 176.433 176.117 -0.055 0.000 1.271 1359 I CA 0.193 61.458 61.300 -0.059 0.000 1.320 1359 I CB 0.736 38.723 38.000 -0.021 0.000 1.319 1359 I HN 0.643 nan 8.210 nan 0.000 0.462 1360 I N -2.377 118.171 120.570 -0.036 0.000 3.108 1360 I HA 0.763 4.936 4.170 0.005 0.000 0.312 1360 I C 0.502 176.611 176.117 -0.014 0.000 1.095 1360 I CA -0.817 60.476 61.300 -0.012 0.000 1.000 1360 I CB 1.334 39.365 38.000 0.052 0.000 1.229 1360 I HN -0.104 nan 8.210 nan 0.000 0.454 1361 G N 1.425 110.215 108.800 -0.017 0.000 3.022 1361 G HA2 0.301 4.264 3.960 0.005 0.000 0.157 1361 G HA3 0.301 4.264 3.960 0.005 0.000 0.157 1361 G C -0.448 174.462 174.900 0.016 0.000 1.468 1361 G CA -0.578 44.499 45.100 -0.038 0.000 1.058 1361 G HN 0.656 nan 8.290 nan 0.000 0.581 1362 N N -0.173 118.513 118.700 -0.025 0.000 2.508 1362 N HA 0.355 5.099 4.740 0.005 0.000 0.285 1362 N C 0.044 175.604 175.510 0.083 0.000 1.144 1362 N CA 0.036 53.114 53.050 0.047 0.000 0.978 1362 N CB 1.018 39.541 38.487 0.059 0.000 1.180 1362 N HN 0.430 nan 8.380 nan 0.000 0.484 1363 T N -0.481 114.130 114.554 0.095 0.000 4.096 1363 T HA -0.172 4.181 4.350 0.005 0.000 0.343 1363 T C 0.149 174.905 174.700 0.092 0.000 0.756 1363 T CA 0.359 62.486 62.100 0.045 0.000 1.914 1363 T CB -2.051 66.853 68.868 0.059 0.000 1.873 1363 T HN 0.606 nan 8.240 nan 0.000 0.850 1364 C N 1.079 120.408 119.300 0.047 0.000 2.676 1364 C HA 0.373 4.836 4.460 0.005 0.000 0.416 1364 C C 2.003 176.842 174.990 -0.252 0.000 1.299 1364 C CA -0.387 58.615 59.018 -0.027 0.000 2.048 1364 C CB -0.742 27.058 27.740 0.101 0.000 2.713 1364 C HN 0.857 nan 8.230 nan 0.000 0.624 1365 L N 0.205 121.321 121.223 -0.178 0.000 4.001 1365 L HA -0.216 4.127 4.340 0.005 0.000 0.413 1365 L C 0.439 177.259 176.870 -0.082 0.000 1.185 1365 L CA 0.248 54.973 54.840 -0.192 0.000 0.963 1365 L CB -2.073 39.798 42.059 -0.314 0.000 1.976 1365 L HN 0.859 nan 8.230 nan 0.000 0.939 1366 Y N 1.695 121.886 120.300 -0.181 0.000 2.745 1366 Y HA 0.177 4.731 4.550 0.005 0.000 0.335 1366 Y C 1.577 177.378 175.900 -0.164 0.000 1.212 1366 Y CA 0.502 58.512 58.100 -0.151 0.000 1.535 1366 Y CB 0.501 38.884 38.460 -0.128 0.000 1.220 1366 Y HN 0.366 nan 8.280 nan 0.000 0.531 1367 G N 3.698 112.454 108.800 -0.072 0.000 2.160 1367 G HA2 -0.291 3.673 3.960 0.005 0.000 0.251 1367 G HA3 -0.291 3.673 3.960 0.005 0.000 0.251 1367 G C 0.141 174.955 174.900 -0.142 0.000 1.008 1367 G CA -0.005 44.957 45.100 -0.229 0.000 0.724 1367 G HN 1.127 nan 8.290 nan 0.000 0.514 1368 A N -0.717 122.043 122.820 -0.101 0.000 2.462 1368 A HA 0.670 4.993 4.320 0.005 0.000 0.243 1368 A C 1.182 178.738 177.584 -0.048 0.000 1.076 1368 A CA 1.496 53.481 52.037 -0.086 0.000 0.773 1368 A CB 0.674 19.618 19.000 -0.093 0.000 1.010 1368 A HN 0.908 nan 8.150 nan 0.000 0.493 1369 T N 0.597 115.134 114.554 -0.028 0.000 3.170 1369 T HA 0.518 4.871 4.350 0.005 0.000 0.288 1369 T C 0.294 174.997 174.700 0.005 0.000 0.992 1369 T CA 0.816 62.912 62.100 -0.007 0.000 0.909 1369 T CB -0.571 68.297 68.868 0.001 0.000 1.133 1369 T HN 1.916 nan 8.240 nan 0.000 0.530 1370 G N -0.770 108.030 108.800 -0.000 0.000 2.341 1370 G HA2 0.499 4.462 3.960 0.005 0.000 0.293 1370 G HA3 0.499 4.462 3.960 0.005 0.000 0.293 1370 G C -0.192 174.708 174.900 0.000 0.000 1.298 1370 G CA 0.039 45.144 45.100 0.009 0.000 0.868 1370 G HN 0.903 nan 8.290 nan 0.000 0.540 1371 G N -0.890 107.916 108.800 0.010 0.000 2.707 1371 G HA2 0.136 4.099 3.960 0.005 0.000 0.686 1371 G HA3 0.136 4.099 3.960 0.005 0.000 0.686 1371 G C -0.826 174.058 174.900 -0.027 0.000 1.315 1371 G CA -0.044 45.058 45.100 0.003 0.000 0.832 1371 G HN 1.190 nan 8.290 nan 0.000 0.573 1372 N N -0.520 118.155 118.700 -0.041 0.000 2.354 1372 N HA 0.542 5.286 4.740 0.005 0.000 0.287 1372 N C -0.958 174.398 175.510 -0.255 0.000 1.016 1372 N CA -0.600 52.349 53.050 -0.167 0.000 0.871 1372 N CB 2.581 41.023 38.487 -0.074 0.000 1.299 1372 N HN 0.630 nan 8.380 nan 0.000 0.482 1373 L N 2.990 123.985 121.223 -0.381 0.000 2.333 1373 L HA 0.517 4.860 4.340 0.005 0.000 0.280 1373 L C -1.709 174.909 176.870 -0.420 0.000 1.004 1373 L CA -0.538 54.157 54.840 -0.242 0.000 0.820 1373 L CB 0.726 42.772 42.059 -0.022 0.000 1.247 1373 L HN 0.432 nan 8.230 nan 0.000 0.416 1374 Y N 4.214 124.597 120.300 0.138 0.000 2.331 1374 Y HA 0.781 5.335 4.550 0.006 0.000 0.334 1374 Y C 0.024 176.052 175.900 0.213 0.000 0.960 1374 Y CA -0.790 57.456 58.100 0.242 0.000 1.130 1374 Y CB 2.045 40.703 38.460 0.331 0.000 1.164 1374 Y HN 0.673 nan 8.280 nan 0.000 0.458 1375 A N 2.475 125.526 122.820 0.385 0.000 2.353 1375 A HA 0.415 4.738 4.320 0.005 0.000 0.299 1375 A C -0.706 177.064 177.584 0.309 0.000 1.089 1375 A CA -0.907 51.275 52.037 0.240 0.000 0.736 1375 A CB 0.702 19.774 19.000 0.120 0.000 1.195 1375 A HN 0.725 nan 8.150 nan 0.000 0.447 1376 N N 1.914 120.727 118.700 0.189 0.000 3.254 1376 N HA 0.449 5.192 4.740 0.005 0.000 0.308 1376 N C 0.297 175.872 175.510 0.109 0.000 1.281 1376 N CA 1.179 54.312 53.050 0.139 0.000 1.212 1376 N CB -0.092 38.405 38.487 0.016 0.000 1.478 1376 N HN 1.056 nan 8.380 nan 0.000 0.548 1377 G N -0.114 108.742 108.800 0.092 0.000 2.341 1377 G HA2 0.277 4.241 3.960 0.005 0.000 0.299 1377 G HA3 0.277 4.241 3.960 0.005 0.000 0.299 1377 G C -1.349 173.543 174.900 -0.013 0.000 1.274 1377 G CA -0.952 44.173 45.100 0.042 0.000 0.853 1377 G HN 0.252 nan 8.290 nan 0.000 0.493 1378 R N -0.457 120.014 120.500 -0.050 0.000 2.598 1378 R HA 0.761 5.104 4.340 0.005 0.000 0.279 1378 R C 0.204 176.451 176.300 -0.088 0.000 0.984 1378 R CA -0.096 55.956 56.100 -0.080 0.000 0.999 1378 R CB 1.839 32.092 30.300 -0.078 0.000 1.114 1378 R HN 0.795 nan 8.270 nan 0.000 0.493 1379 A N 0.723 123.476 122.820 -0.112 0.000 2.263 1379 A HA 0.745 5.068 4.320 0.005 0.000 0.318 1379 A C 0.236 177.811 177.584 -0.014 0.000 1.111 1379 A CA -0.290 51.714 52.037 -0.055 0.000 0.901 1379 A CB 1.008 19.947 19.000 -0.102 0.000 1.280 1379 A HN 0.742 nan 8.150 nan 0.000 0.503 1380 G N -0.792 108.034 108.800 0.043 0.000 2.714 1380 G HA2 0.493 4.457 3.960 0.005 0.000 0.197 1380 G HA3 0.493 4.457 3.960 0.005 0.000 0.197 1380 G C -0.237 174.722 174.900 0.097 0.000 1.449 1380 G CA -0.423 44.705 45.100 0.048 0.000 1.065 1380 G HN 0.771 nan 8.290 nan 0.000 0.575 1381 E N -0.230 120.036 120.200 0.110 0.000 2.371 1381 E HA 0.269 4.622 4.350 0.005 0.000 0.257 1381 E C -0.292 176.404 176.600 0.160 0.000 1.134 1381 E CA -0.496 55.993 56.400 0.148 0.000 0.919 1381 E CB 0.819 30.638 29.700 0.197 0.000 1.025 1381 E HN 0.479 nan 8.360 nan 0.000 0.438 1382 R N -0.333 120.265 120.500 0.163 0.000 3.525 1382 R HA -0.217 4.126 4.340 0.005 0.000 0.276 1382 R C -0.433 175.910 176.300 0.071 0.000 1.116 1382 R CA 0.222 56.359 56.100 0.061 0.000 0.745 1382 R CB -2.041 28.197 30.300 -0.103 0.000 1.185 1382 R HN 0.456 nan 8.270 nan 0.000 0.454 1383 F N 1.285 121.258 119.950 0.039 0.000 2.571 1383 F HA 0.211 4.741 4.527 0.005 0.000 0.384 1383 F C 1.217 177.045 175.800 0.047 0.000 1.058 1383 F CA 0.813 58.839 58.000 0.042 0.000 1.200 1383 F CB 0.438 39.467 39.000 0.048 0.000 1.077 1383 F HN 0.362 nan 8.300 nan 0.000 0.558 1384 A N 3.764 126.146 122.820 -0.730 0.000 2.846 1384 A HA -0.202 4.122 4.320 0.005 0.000 0.287 1384 A C 1.144 178.657 177.584 -0.119 0.000 1.469 1384 A CA 0.661 52.433 52.037 -0.443 0.000 0.757 1384 A CB -2.636 16.170 19.000 -0.323 0.000 1.033 1384 A HN 0.927 nan 8.150 nan 0.000 0.516 1385 V N -0.647 119.216 119.914 -0.086 0.000 2.222 1385 V HA -0.244 3.880 4.120 0.005 0.000 0.252 1385 V C 1.964 178.141 176.094 0.139 0.000 1.060 1385 V CA 2.262 64.557 62.300 -0.008 0.000 1.027 1385 V CB -0.492 31.255 31.823 -0.128 0.000 0.644 1385 V HN 0.730 nan 8.190 nan 0.000 0.448 1386 R N 1.034 121.646 120.500 0.186 0.000 2.989 1386 R HA 0.304 4.647 4.340 0.005 0.000 0.340 1386 R C -0.204 176.143 176.300 0.078 0.000 1.205 1386 R CA -0.463 55.742 56.100 0.175 0.000 1.235 1386 R CB -0.366 30.005 30.300 0.118 0.000 1.394 1386 R HN 0.558 nan 8.270 nan 0.000 0.598 1387 N N -0.395 118.335 118.700 0.050 0.000 2.483 1387 N HA -0.005 4.739 4.740 0.005 0.000 0.264 1387 N C 0.445 175.975 175.510 0.033 0.000 1.197 1387 N CA 0.710 53.764 53.050 0.007 0.000 0.927 1387 N CB 1.051 39.523 38.487 -0.025 0.000 1.065 1387 N HN -0.050 nan 8.380 nan 0.000 0.461 1388 S N 1.681 117.392 115.700 0.018 0.000 2.506 1388 S HA 0.125 4.598 4.470 0.005 0.000 0.230 1388 S C 0.802 175.416 174.600 0.024 0.000 1.066 1388 S CA 0.204 58.426 58.200 0.036 0.000 0.940 1388 S CB 0.495 63.718 63.200 0.038 0.000 0.818 1388 S HN 0.515 nan 8.310 nan 0.000 0.518 1389 V N 0.564 120.484 119.914 0.009 0.000 3.537 1389 V HA 0.361 4.484 4.120 0.005 0.000 0.315 1389 V C 0.730 176.825 176.094 0.001 0.000 1.541 1389 V CA -0.269 62.036 62.300 0.010 0.000 1.160 1389 V CB 0.057 31.886 31.823 0.011 0.000 0.998 1389 V HN 0.314 nan 8.190 nan 0.000 0.473 1390 G N 0.789 109.580 108.800 -0.014 0.000 2.544 1390 G HA2 0.441 4.404 3.960 0.005 0.000 0.242 1390 G HA3 0.441 4.404 3.960 0.005 0.000 0.242 1390 G C -0.427 174.462 174.900 -0.019 0.000 1.247 1390 G CA 0.009 45.091 45.100 -0.031 0.000 0.840 1390 G HN 0.353 nan 8.290 nan 0.000 0.578 1391 K N 0.058 120.436 120.400 -0.036 0.000 2.324 1391 K HA 0.677 5.000 4.320 0.005 0.000 0.253 1391 K C -0.477 176.063 176.600 -0.100 0.000 0.932 1391 K CA -0.431 55.832 56.287 -0.040 0.000 0.799 1391 K CB 2.303 34.786 32.500 -0.030 0.000 1.154 1391 K HN 0.710 nan 8.250 nan 0.000 0.425 1392 A N 1.668 124.454 122.820 -0.057 0.000 2.594 1392 A HA 0.662 4.986 4.320 0.005 0.000 0.295 1392 A C -1.604 175.947 177.584 -0.054 0.000 1.071 1392 A CA -0.675 51.326 52.037 -0.059 0.000 0.685 1392 A CB 1.598 20.709 19.000 0.185 0.000 1.285 1392 A HN 0.347 nan 8.150 nan 0.000 0.405 1393 V N 2.960 122.804 119.914 -0.117 0.000 2.482 1393 V HA 0.588 4.711 4.120 0.005 0.000 0.295 1393 V C -0.165 175.770 176.094 -0.264 0.000 1.026 1393 V CA -0.173 62.013 62.300 -0.190 0.000 0.856 1393 V CB 0.993 32.657 31.823 -0.264 0.000 1.001 1393 V HN 0.962 nan 8.190 nan 0.000 0.424 1394 I N 0.936 121.341 120.570 -0.274 0.000 3.445 1394 I HA 0.696 4.869 4.170 0.005 0.000 0.303 1394 I C 0.110 176.118 176.117 -0.182 0.000 1.129 1394 I CA -0.803 60.344 61.300 -0.255 0.000 0.989 1394 I CB 2.582 40.294 38.000 -0.481 0.000 1.314 1394 I HN 0.464 nan 8.210 nan 0.000 0.488 1395 E N 0.654 120.789 120.200 -0.108 0.000 2.758 1395 E HA 0.468 4.821 4.350 0.005 0.000 0.215 1395 E C -0.058 176.520 176.600 -0.036 0.000 0.985 1395 E CA -0.314 56.066 56.400 -0.032 0.000 1.102 1395 E CB 1.399 31.129 29.700 0.051 0.000 1.042 1395 E HN 0.940 nan 8.360 nan 0.000 0.480 1396 G N 0.638 109.390 108.800 -0.080 0.000 2.347 1396 G HA2 0.484 4.447 3.960 0.005 0.000 0.303 1396 G HA3 0.484 4.447 3.960 0.005 0.000 0.303 1396 G C -1.800 173.042 174.900 -0.097 0.000 1.481 1396 G CA -0.253 44.815 45.100 -0.052 0.000 0.914 1396 G HN 0.188 nan 8.290 nan 0.000 0.638 1397 A N -0.814 121.979 122.820 -0.045 0.000 2.609 1397 A HA 1.007 5.331 4.320 0.005 0.000 0.291 1397 A C 0.649 178.232 177.584 -0.002 0.000 1.096 1397 A CA 0.512 52.527 52.037 -0.036 0.000 0.684 1397 A CB 1.124 20.114 19.000 -0.018 0.000 1.282 1397 A HN 2.271 nan 8.150 nan 0.000 0.412 1398 G N -0.448 108.358 108.800 0.011 0.000 2.679 1398 G HA2 0.439 4.402 3.960 0.005 0.000 0.202 1398 G HA3 0.439 4.402 3.960 0.005 0.000 0.202 1398 G C -0.493 174.390 174.900 -0.028 0.000 1.566 1398 G CA 0.025 45.124 45.100 -0.003 0.000 1.074 1398 G HN 0.682 nan 8.290 nan 0.000 0.564 1399 D N -0.534 119.814 120.400 -0.087 0.000 2.354 1399 D HA 0.302 4.945 4.640 0.005 0.000 0.247 1399 D C 0.257 176.435 176.300 -0.203 0.000 1.138 1399 D CA 0.018 53.846 54.000 -0.286 0.000 0.958 1399 D CB 0.269 40.724 40.800 -0.575 0.000 1.144 1399 D HN 0.529 nan 8.370 nan 0.000 0.458 1400 H N -2.244 116.815 119.070 -0.018 0.000 2.862 1400 H HA -0.200 4.359 4.556 0.005 0.000 0.290 1400 H C 0.117 175.449 175.328 0.007 0.000 1.211 1400 H CA 0.127 56.152 56.048 -0.038 0.000 1.140 1400 H CB -1.979 27.742 29.762 -0.068 0.000 1.341 1400 H HN 0.299 nan 8.280 nan 0.000 0.392 1401 C N 0.925 120.303 119.300 0.131 0.000 2.538 1401 C HA 0.096 4.559 4.460 0.005 0.000 0.408 1401 C C 1.959 177.071 174.990 0.203 0.000 1.421 1401 C CA 0.973 60.124 59.018 0.222 0.000 1.642 1401 C CB -1.331 26.584 27.740 0.293 0.000 2.553 1401 C HN 0.937 nan 8.230 nan 0.000 0.604 1402 C N 4.516 123.939 119.300 0.204 0.000 4.356 1402 C HA -0.157 4.307 4.460 0.005 0.000 0.296 1402 C C 1.798 176.817 174.990 0.049 0.000 1.424 1402 C CA 1.094 60.194 59.018 0.135 0.000 2.000 1402 C CB -3.247 24.603 27.740 0.184 0.000 1.262 1402 C HN 1.089 nan 8.230 nan 0.000 0.789 1403 E N 0.180 120.381 120.200 0.002 0.000 2.026 1403 E HA -0.218 4.135 4.350 0.005 0.000 0.206 1403 E C 0.568 177.018 176.600 -0.250 0.000 1.028 1403 E CA 1.809 58.111 56.400 -0.162 0.000 0.845 1403 E CB -0.058 29.505 29.700 -0.228 0.000 0.772 1403 E HN 0.811 nan 8.360 nan 0.000 0.462 1404 Y N -0.035 120.272 120.300 0.012 0.000 2.839 1404 Y HA 0.266 4.819 4.550 0.006 0.000 0.361 1404 Y C 0.135 176.069 175.900 0.057 0.000 1.008 1404 Y CA -0.426 57.700 58.100 0.044 0.000 1.534 1404 Y CB -0.016 38.479 38.460 0.059 0.000 1.395 1404 Y HN 0.130 nan 8.280 nan 0.000 0.534 1405 M N 1.095 120.772 119.600 0.128 0.000 2.245 1405 M HA 0.116 4.599 4.480 0.005 0.000 0.344 1405 M C 0.893 177.258 176.300 0.108 0.000 1.170 1405 M CA 0.950 56.314 55.300 0.107 0.000 1.135 1405 M CB 0.788 33.432 32.600 0.075 0.000 1.574 1405 M HN 0.432 nan 8.290 nan 0.000 0.452 1406 T N 0.513 115.129 114.554 0.103 0.000 3.043 1406 T HA 0.617 4.970 4.350 0.005 0.000 0.272 1406 T C 0.349 175.085 174.700 0.060 0.000 0.990 1406 T CA -0.017 62.139 62.100 0.093 0.000 0.897 1406 T CB 0.185 69.128 68.868 0.125 0.000 1.111 1406 T HN 0.896 nan 8.240 nan 0.000 0.529 1407 G N -0.945 107.886 108.800 0.053 0.000 2.340 1407 G HA2 0.590 4.554 3.960 0.005 0.000 0.299 1407 G HA3 0.590 4.554 3.960 0.005 0.000 0.299 1407 G C -0.084 174.838 174.900 0.037 0.000 1.291 1407 G CA 0.002 45.126 45.100 0.040 0.000 0.841 1407 G HN 1.240 nan 8.290 nan 0.000 0.500 1408 G N -2.409 106.411 108.800 0.034 0.000 2.725 1408 G HA2 0.347 4.310 3.960 0.005 0.000 0.220 1408 G HA3 0.347 4.310 3.960 0.005 0.000 0.220 1408 G C -0.678 174.250 174.900 0.048 0.000 1.357 1408 G CA 0.313 45.433 45.100 0.034 0.000 0.866 1408 G HN 1.861 nan 8.290 nan 0.000 0.548 1409 V N 0.448 120.395 119.914 0.054 0.000 2.668 1409 V HA 0.639 4.762 4.120 0.005 0.000 0.304 1409 V C -0.342 175.799 176.094 0.079 0.000 1.071 1409 V CA -0.846 61.506 62.300 0.087 0.000 0.894 1409 V CB 1.783 33.677 31.823 0.118 0.000 1.008 1409 V HN 0.808 nan 8.190 nan 0.000 0.425 1410 I N 4.734 125.353 120.570 0.082 0.000 2.436 1410 I HA 0.546 4.719 4.170 0.005 0.000 0.289 1410 I C -0.380 175.747 176.117 0.016 0.000 1.010 1410 I CA -0.707 60.636 61.300 0.073 0.000 1.098 1410 I CB 2.047 40.110 38.000 0.105 0.000 1.266 1410 I HN 0.299 nan 8.210 nan 0.000 0.434 1411 V N 6.963 126.877 119.914 0.000 0.000 2.448 1411 V HA 0.529 4.652 4.120 0.005 0.000 0.295 1411 V C -0.222 175.813 176.094 -0.098 0.000 1.025 1411 V CA -0.645 61.641 62.300 -0.023 0.000 0.859 1411 V CB 2.445 34.263 31.823 -0.008 0.000 0.988 1411 V HN 0.437 nan 8.190 nan 0.000 0.431 1412 V N 6.535 126.384 119.914 -0.107 0.000 2.409 1412 V HA 0.374 4.498 4.120 0.005 0.000 0.290 1412 V C 0.179 176.304 176.094 0.052 0.000 1.017 1412 V CA -0.356 61.899 62.300 -0.076 0.000 0.841 1412 V CB 1.708 33.502 31.823 -0.047 0.000 1.003 1412 V HN 0.727 nan 8.190 nan 0.000 0.426 1413 L N 4.525 125.763 121.223 0.025 0.000 2.888 1413 L HA 0.662 5.005 4.340 0.005 0.000 0.237 1413 L C 0.918 177.791 176.870 0.005 0.000 1.288 1413 L CA 0.178 55.041 54.840 0.037 0.000 1.110 1413 L CB -0.238 41.846 42.059 0.041 0.000 1.441 1413 L HN 0.839 nan 8.230 nan 0.000 0.474 1414 G N -0.983 107.832 108.800 0.026 0.000 2.441 1414 G HA2 0.361 4.325 3.960 0.005 0.000 0.294 1414 G HA3 0.361 4.325 3.960 0.005 0.000 0.294 1414 G C -3.175 171.758 174.900 0.054 0.000 1.393 1414 G CA -0.821 44.294 45.100 0.026 0.000 0.796 1414 G HN -0.251 nan 8.290 nan 0.000 0.494 1415 P HA 0.411 nan 4.420 nan 0.000 0.268 1415 P C -0.533 176.791 177.300 0.040 0.000 1.208 1415 P CA -0.203 62.922 63.100 0.041 0.000 0.777 1415 P CB 1.250 32.966 31.700 0.027 0.000 0.875 1416 V N 1.270 121.200 119.914 0.026 0.000 2.925 1416 V HA 0.637 4.760 4.120 0.005 0.000 0.311 1416 V C 0.618 176.690 176.094 -0.036 0.000 1.104 1416 V CA -0.414 61.895 62.300 0.016 0.000 0.954 1416 V CB 2.270 34.127 31.823 0.057 0.000 1.022 1416 V HN 0.751 nan 8.190 nan 0.000 0.427 1417 G N 2.948 111.719 108.800 -0.048 0.000 2.553 1417 G HA2 0.441 4.405 3.960 0.005 0.000 0.278 1417 G HA3 0.441 4.405 3.960 0.005 0.000 0.278 1417 G C -0.026 174.797 174.900 -0.130 0.000 1.349 1417 G CA -0.522 44.529 45.100 -0.082 0.000 1.037 1417 G HN 0.941 nan 8.290 nan 0.000 0.508 1418 R N -1.477 118.929 120.500 -0.157 0.000 2.580 1418 R HA 0.317 4.660 4.340 0.005 0.000 0.267 1418 R C 0.635 176.800 176.300 -0.225 0.000 1.125 1418 R CA -0.022 55.975 56.100 -0.172 0.000 1.188 1418 R CB 0.143 30.360 30.300 -0.138 0.000 1.155 1418 R HN 0.681 nan 8.270 nan 0.000 0.586 1419 N N -1.029 117.571 118.700 -0.167 0.000 2.741 1419 N HA -0.160 4.584 4.740 0.005 0.000 0.250 1419 N C -0.909 174.549 175.510 -0.087 0.000 1.115 1419 N CA 0.380 53.364 53.050 -0.109 0.000 0.724 1419 N CB -0.413 38.053 38.487 -0.035 0.000 1.090 1419 N HN 0.402 nan 8.380 nan 0.000 0.558 1420 V N 0.538 120.372 119.914 -0.134 0.000 2.720 1420 V HA 0.111 4.234 4.120 0.005 0.000 0.307 1420 V C 1.952 177.994 176.094 -0.086 0.000 1.071 1420 V CA 1.305 63.532 62.300 -0.122 0.000 1.199 1420 V CB 0.745 32.391 31.823 -0.295 0.000 0.900 1420 V HN 0.588 nan 8.190 nan 0.000 0.494 1421 G N 3.208 111.996 108.800 -0.019 0.000 2.180 1421 G HA2 -0.160 3.803 3.960 0.005 0.000 0.263 1421 G HA3 -0.160 3.803 3.960 0.005 0.000 0.263 1421 G C 0.481 175.336 174.900 -0.075 0.000 0.989 1421 G CA 0.310 45.399 45.100 -0.018 0.000 0.692 1421 G HN 1.823 nan 8.290 nan 0.000 0.526 1422 A N -0.350 122.405 122.820 -0.109 0.000 2.566 1422 A HA 0.571 4.894 4.320 0.005 0.000 0.245 1422 A C 2.136 179.567 177.584 -0.255 0.000 1.056 1422 A CA 1.747 53.686 52.037 -0.163 0.000 0.757 1422 A CB -0.300 18.596 19.000 -0.172 0.000 0.979 1422 A HN 2.390 nan 8.150 nan 0.000 0.508 1423 G N 1.465 110.150 108.800 -0.191 0.000 2.175 1423 G HA2 -0.311 3.652 3.960 0.005 0.000 0.265 1423 G HA3 -0.311 3.652 3.960 0.005 0.000 0.265 1423 G C 0.386 175.242 174.900 -0.073 0.000 0.979 1423 G CA 0.734 45.733 45.100 -0.168 0.000 0.663 1423 G HN 1.358 nan 8.290 nan 0.000 0.533 1424 M N 1.039 120.603 119.600 -0.059 0.000 2.194 1424 M HA 0.495 4.978 4.480 0.005 0.000 0.347 1424 M C 1.147 177.462 176.300 0.025 0.000 1.439 1424 M CA 0.935 56.236 55.300 0.003 0.000 1.131 1424 M CB 0.871 33.480 32.600 0.014 0.000 1.733 1424 M HN 0.008 nan 8.290 nan 0.000 0.467 1425 T N 2.868 117.453 114.554 0.051 0.000 2.959 1425 T HA 0.423 4.777 4.350 0.005 0.000 0.254 1425 T C 0.086 174.811 174.700 0.041 0.000 1.003 1425 T CA 0.379 62.508 62.100 0.048 0.000 0.950 1425 T CB 0.381 69.292 68.868 0.071 0.000 1.090 1425 T HN 0.870 nan 8.240 nan 0.000 0.503 1426 G N -1.081 107.747 108.800 0.047 0.000 2.684 1426 G HA2 0.570 4.533 3.960 0.005 0.000 0.290 1426 G HA3 0.570 4.533 3.960 0.005 0.000 0.290 1426 G C -0.216 174.707 174.900 0.039 0.000 1.425 1426 G CA 0.051 45.174 45.100 0.038 0.000 0.822 1426 G HN 0.539 nan 8.290 nan 0.000 0.482 1427 G N -1.637 107.182 108.800 0.033 0.000 2.760 1427 G HA2 0.213 4.177 3.960 0.005 0.000 0.246 1427 G HA3 0.213 4.177 3.960 0.005 0.000 0.246 1427 G C -0.802 174.108 174.900 0.017 0.000 1.359 1427 G CA -0.162 44.957 45.100 0.032 0.000 0.861 1427 G HN 1.278 nan 8.290 nan 0.000 0.541 1428 L N -0.348 120.880 121.223 0.009 0.000 2.409 1428 L HA 0.836 5.179 4.340 0.005 0.000 0.262 1428 L C 0.442 177.256 176.870 -0.093 0.000 0.992 1428 L CA -0.609 54.192 54.840 -0.064 0.000 0.817 1428 L CB 2.205 44.203 42.059 -0.102 0.000 1.350 1428 L HN 1.515 nan 8.230 nan 0.000 0.411 1429 A N 1.373 124.078 122.820 -0.192 0.000 2.401 1429 A HA 0.851 5.174 4.320 0.005 0.000 0.310 1429 A C -1.937 175.366 177.584 -0.467 0.000 1.075 1429 A CA -0.371 51.516 52.037 -0.250 0.000 0.746 1429 A CB 1.286 20.178 19.000 -0.181 0.000 1.277 1429 A HN 0.541 nan 8.150 nan 0.000 0.425 1430 Y N -0.124 120.003 120.300 -0.290 0.000 2.376 1430 Y HA 0.655 5.209 4.550 0.006 0.000 0.340 1430 Y C -0.940 174.828 175.900 -0.220 0.000 0.965 1430 Y CA -0.460 57.597 58.100 -0.073 0.000 1.078 1430 Y CB 1.968 40.406 38.460 -0.038 0.000 1.193 1430 Y HN 0.532 nan 8.280 nan 0.000 0.452 1431 F N 3.571 123.820 119.950 0.498 0.000 2.507 1431 F HA 0.382 4.913 4.527 0.007 0.000 0.328 1431 F C -0.661 175.234 175.800 0.159 0.000 1.136 1431 F CA -0.984 57.202 58.000 0.310 0.000 0.930 1431 F CB 1.464 40.593 39.000 0.216 0.000 1.166 1431 F HN 0.260 nan 8.300 nan 0.000 0.436 1432 L N 3.995 125.214 121.223 -0.006 0.000 2.361 1432 L HA 0.365 4.708 4.340 0.005 0.000 0.278 1432 L C -0.558 176.227 176.870 -0.142 0.000 1.113 1432 L CA 0.324 54.828 54.840 -0.561 0.000 0.849 1432 L CB 0.231 41.894 42.059 -0.660 0.000 1.155 1432 L HN 0.529 nan 8.230 nan 0.000 0.452 1433 D N 3.445 123.775 120.400 -0.117 0.000 2.446 1433 D HA 0.216 4.860 4.640 0.005 0.000 0.251 1433 D C 0.304 176.593 176.300 -0.020 0.000 1.137 1433 D CA -0.145 53.872 54.000 0.029 0.000 0.890 1433 D CB 0.872 41.809 40.800 0.229 0.000 1.071 1433 D HN 0.707 nan 8.370 nan 0.000 0.528 1434 E N 1.503 121.694 120.200 -0.016 0.000 2.442 1434 E HA 0.011 4.364 4.350 0.005 0.000 0.195 1434 E C 1.498 178.096 176.600 -0.003 0.000 1.030 1434 E CA 0.280 56.668 56.400 -0.021 0.000 0.869 1434 E CB 0.946 30.647 29.700 0.001 0.000 0.857 1434 E HN 0.313 nan 8.360 nan 0.000 0.505 1435 V N -0.400 119.526 119.914 0.020 0.000 2.492 1435 V HA 0.131 4.254 4.120 0.005 0.000 0.241 1435 V C 1.697 177.811 176.094 0.033 0.000 1.041 1435 V CA 1.332 63.646 62.300 0.022 0.000 1.057 1435 V CB 0.157 31.995 31.823 0.025 0.000 0.711 1435 V HN 0.464 nan 8.190 nan 0.000 0.468 1436 G N 1.149 109.989 108.800 0.065 0.000 2.229 1436 G HA2 -0.178 3.785 3.960 0.005 0.000 0.189 1436 G HA3 -0.178 3.785 3.960 0.005 0.000 0.189 1436 G C 0.364 175.323 174.900 0.100 0.000 1.000 1436 G CA 0.307 45.468 45.100 0.102 0.000 0.663 1436 G HN 0.627 nan 8.290 nan 0.000 0.493 1437 D N 0.534 120.965 120.400 0.051 0.000 2.368 1437 D HA 0.304 4.948 4.640 0.005 0.000 0.218 1437 D C 1.996 178.269 176.300 -0.045 0.000 1.112 1437 D CA 0.016 54.016 54.000 0.000 0.000 0.834 1437 D CB 0.164 40.959 40.800 -0.008 0.000 0.953 1437 D HN 0.363 nan 8.370 nan 0.000 0.505 1438 L N 0.925 122.127 121.223 -0.034 0.000 2.046 1438 L HA 0.045 4.388 4.340 0.005 0.000 0.208 1438 L C -0.851 175.853 176.870 -0.277 0.000 1.077 1438 L CA 1.808 56.561 54.840 -0.144 0.000 0.747 1438 L CB -1.252 40.754 42.059 -0.087 0.000 0.896 1438 L HN -0.060 nan 8.230 nan 0.000 0.432 1439 P HA -0.195 nan 4.420 nan 0.000 0.220 1439 P C 1.286 178.447 177.300 -0.232 0.000 1.144 1439 P CA 1.380 64.257 63.100 -0.372 0.000 0.800 1439 P CB 0.004 31.481 31.700 -0.372 0.000 0.772 1440 E N -0.522 119.577 120.200 -0.168 0.000 2.274 1440 E HA -0.104 4.250 4.350 0.005 0.000 0.194 1440 E C 1.178 177.699 176.600 -0.132 0.000 0.996 1440 E CA 0.822 57.148 56.400 -0.123 0.000 0.840 1440 E CB -0.014 29.634 29.700 -0.086 0.000 0.772 1440 E HN 0.192 nan 8.360 nan 0.000 0.491 1441 K N -0.132 120.170 120.400 -0.163 0.000 2.358 1441 K HA 0.162 4.485 4.320 0.005 0.000 0.200 1441 K C -0.223 176.260 176.600 -0.195 0.000 1.030 1441 K CA -0.305 55.885 56.287 -0.163 0.000 1.097 1441 K CB 1.021 33.425 32.500 -0.160 0.000 0.862 1441 K HN -0.011 nan 8.250 nan 0.000 0.534 1442 I N 2.174 122.616 120.570 -0.214 0.000 2.474 1442 I HA 0.008 4.181 4.170 0.005 0.000 0.287 1442 I C 0.265 176.289 176.117 -0.156 0.000 1.048 1442 I CA -0.483 60.688 61.300 -0.214 0.000 1.383 1442 I CB 0.660 38.513 38.000 -0.245 0.000 1.412 1442 I HN 0.150 nan 8.210 nan 0.000 0.531 1443 N N 9.204 127.824 118.700 -0.132 0.000 2.420 1443 N HA 0.153 4.896 4.740 0.005 0.000 0.262 1443 N C -1.877 173.572 175.510 -0.101 0.000 1.144 1443 N CA -1.314 51.673 53.050 -0.105 0.000 0.952 1443 N CB 1.344 39.776 38.487 -0.092 0.000 1.081 1443 N HN 0.304 nan 8.380 nan 0.000 0.480 1444 P HA 0.085 nan 4.420 nan 0.000 0.253 1444 P C 0.323 177.584 177.300 -0.064 0.000 1.260 1444 P CA 0.307 63.355 63.100 -0.086 0.000 0.800 1444 P CB 0.538 32.187 31.700 -0.085 0.000 1.162 1445 E N 0.002 120.166 120.200 -0.060 0.000 2.150 1445 E HA -0.040 4.314 4.350 0.005 0.000 0.193 1445 E C 1.692 178.272 176.600 -0.033 0.000 0.985 1445 E CA 1.113 57.487 56.400 -0.044 0.000 0.814 1445 E CB 0.061 29.735 29.700 -0.044 0.000 0.752 1445 E HN 0.441 nan 8.360 nan 0.000 0.466 1446 I N -0.053 120.495 120.570 -0.036 0.000 3.990 1446 I HA 0.076 4.249 4.170 0.005 0.000 0.275 1446 I C 1.057 177.161 176.117 -0.021 0.000 1.157 1446 I CA -0.229 61.058 61.300 -0.022 0.000 1.338 1446 I CB 0.336 38.328 38.000 -0.014 0.000 1.588 1446 I HN -0.090 nan 8.210 nan 0.000 0.441 1447 I N 0.096 120.649 120.570 -0.028 0.000 2.779 1447 I HA 0.311 4.485 4.170 0.005 0.000 0.285 1447 I C -0.141 175.953 176.117 -0.038 0.000 1.134 1447 I CA 0.223 61.510 61.300 -0.022 0.000 1.398 1447 I CB 0.724 38.716 38.000 -0.014 0.000 1.404 1447 I HN -0.087 nan 8.210 nan 0.000 0.587 1448 T N 5.331 119.870 114.554 -0.025 0.000 2.940 1448 T HA 0.641 4.994 4.350 0.005 0.000 0.288 1448 T C -0.672 174.011 174.700 -0.028 0.000 1.033 1448 T CA -0.454 61.625 62.100 -0.035 0.000 1.033 1448 T CB 1.649 70.511 68.868 -0.010 0.000 1.079 1448 T HN 0.373 nan 8.240 nan 0.000 0.496 1449 L N 2.749 123.933 121.223 -0.065 0.000 2.346 1449 L HA 0.589 4.933 4.340 0.005 0.000 0.274 1449 L C -0.533 176.408 176.870 0.119 0.000 1.007 1449 L CA -0.135 54.681 54.840 -0.040 0.000 0.818 1449 L CB 1.641 43.475 42.059 -0.375 0.000 1.284 1449 L HN 0.767 nan 8.230 nan 0.000 0.424 1450 Q N 2.614 122.631 119.800 0.363 0.000 2.482 1450 Q HA 0.638 4.982 4.340 0.005 0.000 0.286 1450 Q C -1.082 175.218 176.000 0.501 0.000 1.007 1450 Q CA -1.239 54.835 55.803 0.451 0.000 0.801 1450 Q CB 1.593 30.466 28.738 0.225 0.000 1.455 1450 Q HN 0.245 nan 8.270 nan 0.000 0.398 1451 R N 0.937 121.608 120.500 0.284 0.000 2.694 1451 R HA 0.351 4.695 4.340 0.005 0.000 0.268 1451 R C -0.125 176.233 176.300 0.096 0.000 1.061 1451 R CA -0.315 55.800 56.100 0.025 0.000 1.133 1451 R CB -0.147 30.084 30.300 -0.115 0.000 1.020 1451 R HN 0.639 nan 8.270 nan 0.000 0.475 1452 I N 1.489 122.113 120.570 0.090 0.000 2.533 1452 I HA -0.017 4.156 4.170 0.005 0.000 0.284 1452 I C 1.035 177.200 176.117 0.079 0.000 1.109 1452 I CA 0.759 62.130 61.300 0.118 0.000 1.412 1452 I CB 0.585 38.670 38.000 0.143 0.000 1.396 1452 I HN 0.576 nan 8.210 nan 0.000 0.543 1453 T N 3.458 118.063 114.554 0.086 0.000 2.992 1453 T HA 0.224 4.578 4.350 0.005 0.000 0.255 1453 T C 0.516 175.257 174.700 0.069 0.000 0.938 1453 T CA -0.117 62.023 62.100 0.067 0.000 0.895 1453 T CB 0.516 69.420 68.868 0.061 0.000 1.221 1453 T HN 0.604 nan 8.240 nan 0.000 0.512 1454 A N 2.405 125.274 122.820 0.081 0.000 2.347 1454 A HA 0.555 4.878 4.320 0.005 0.000 0.287 1454 A C 1.723 179.355 177.584 0.080 0.000 1.199 1454 A CA 0.034 52.116 52.037 0.076 0.000 0.851 1454 A CB 0.126 19.174 19.000 0.080 0.000 1.118 1454 A HN 0.376 nan 8.150 nan 0.000 0.525 1455 S N 3.200 118.939 115.700 0.065 0.000 2.374 1455 S HA -0.272 4.201 4.470 0.005 0.000 0.227 1455 S C 1.773 176.406 174.600 0.054 0.000 1.037 1455 S CA 1.855 60.092 58.200 0.062 0.000 1.024 1455 S CB -0.368 62.860 63.200 0.046 0.000 0.861 1455 S HN 0.671 nan 8.310 nan 0.000 0.456 1456 K N 1.743 122.172 120.400 0.049 0.000 2.074 1456 K HA 0.021 4.345 4.320 0.005 0.000 0.209 1456 K C 2.232 178.868 176.600 0.060 0.000 1.048 1456 K CA 1.476 57.789 56.287 0.044 0.000 0.926 1456 K CB -1.254 31.274 32.500 0.047 0.000 0.713 1456 K HN 0.530 nan 8.250 nan 0.000 0.444 1457 G N 0.251 109.110 108.800 0.098 0.000 2.421 1457 G HA2 -0.313 3.650 3.960 0.005 0.000 0.216 1457 G HA3 -0.313 3.650 3.960 0.005 0.000 0.216 1457 G C 1.429 176.370 174.900 0.069 0.000 1.171 1457 G CA 0.960 46.155 45.100 0.157 0.000 0.775 1457 G HN 0.511 nan 8.290 nan 0.000 0.543 1458 E N 0.478 120.728 120.200 0.083 0.000 2.070 1458 E HA -0.210 4.144 4.350 0.005 0.000 0.197 1458 E C 2.211 178.832 176.600 0.035 0.000 1.004 1458 E CA 1.525 57.989 56.400 0.106 0.000 0.805 1458 E CB -0.072 29.734 29.700 0.176 0.000 0.744 1458 E HN 0.429 nan 8.360 nan 0.000 0.451 1459 E N 0.328 120.522 120.200 -0.010 0.000 2.208 1459 E HA -0.191 4.163 4.350 0.005 0.000 0.193 1459 E C 1.977 178.518 176.600 -0.098 0.000 0.988 1459 E CA 0.689 57.042 56.400 -0.077 0.000 0.828 1459 E CB -0.275 29.390 29.700 -0.058 0.000 0.763 1459 E HN 0.490 nan 8.360 nan 0.000 0.478 1460 Q N 0.632 120.385 119.800 -0.079 0.000 2.050 1460 Q HA -0.164 4.180 4.340 0.005 0.000 0.202 1460 Q C 2.249 178.119 176.000 -0.217 0.000 0.980 1460 Q CA 1.008 56.754 55.803 -0.095 0.000 0.840 1460 Q CB -0.047 28.681 28.738 -0.016 0.000 0.898 1460 Q HN 0.207 nan 8.270 nan 0.000 0.424 1461 L N 1.218 122.206 121.223 -0.392 0.000 1.976 1461 L HA -0.174 4.170 4.340 0.005 0.000 0.209 1461 L C 2.336 179.072 176.870 -0.223 0.000 1.071 1461 L CA 2.176 56.705 54.840 -0.518 0.000 0.746 1461 L CB -0.655 40.932 42.059 -0.787 0.000 0.890 1461 L HN 0.142 nan 8.230 nan 0.000 0.432 1462 K N -1.049 119.237 120.400 -0.189 0.000 2.044 1462 K HA -0.239 4.084 4.320 0.005 0.000 0.210 1462 K C 2.357 178.804 176.600 -0.256 0.000 1.049 1462 K CA 1.851 57.897 56.287 -0.402 0.000 0.927 1462 K CB -0.386 31.673 32.500 -0.736 0.000 0.713 1462 K HN 0.503 nan 8.250 nan 0.000 0.443 1463 S N -0.091 115.497 115.700 -0.187 0.000 2.383 1463 S HA -0.092 4.381 4.470 0.005 0.000 0.227 1463 S C 1.883 176.458 174.600 -0.041 0.000 1.026 1463 S CA 0.696 58.827 58.200 -0.115 0.000 0.981 1463 S CB -0.194 62.953 63.200 -0.088 0.000 0.818 1463 S HN 0.266 nan 8.310 nan 0.000 0.472 1464 L N 1.664 122.871 121.223 -0.025 0.000 2.093 1464 L HA 0.197 4.540 4.340 0.005 0.000 0.208 1464 L C 2.230 179.169 176.870 0.116 0.000 1.085 1464 L CA 1.448 56.333 54.840 0.075 0.000 0.755 1464 L CB -1.092 40.983 42.059 0.026 0.000 0.904 1464 L HN 0.433 nan 8.230 nan 0.000 0.435 1465 I N -1.365 119.226 120.570 0.036 0.000 2.439 1465 I HA -0.242 3.931 4.170 0.005 0.000 0.251 1465 I C 2.126 178.284 176.117 0.068 0.000 1.139 1465 I CA 1.013 62.366 61.300 0.088 0.000 1.438 1465 I CB -0.444 37.615 38.000 0.098 0.000 1.085 1465 I HN 0.205 nan 8.210 nan 0.000 0.427 1466 T N 0.854 115.393 114.554 -0.026 0.000 2.788 1466 T HA -0.118 4.235 4.350 0.005 0.000 0.268 1466 T C 2.025 176.674 174.700 -0.086 0.000 1.044 1466 T CA 1.471 63.527 62.100 -0.073 0.000 1.139 1466 T CB -0.174 68.619 68.868 -0.126 0.000 0.867 1466 T HN 0.469 nan 8.240 nan 0.000 0.454 1467 A N 0.697 123.481 122.820 -0.060 0.000 1.930 1467 A HA -0.051 4.272 4.320 0.005 0.000 0.215 1467 A C 1.968 179.365 177.584 -0.311 0.000 1.176 1467 A CA 1.702 53.627 52.037 -0.186 0.000 0.632 1467 A CB -0.813 18.163 19.000 -0.041 0.000 0.819 1467 A HN 0.575 nan 8.150 nan 0.000 0.445 1468 H N 0.201 119.159 119.070 -0.186 0.000 2.289 1468 H HA -0.138 4.421 4.556 0.006 0.000 0.296 1468 H C 1.865 177.135 175.328 -0.097 0.000 1.091 1468 H CA 2.281 58.278 56.048 -0.087 0.000 1.274 1468 H CB -0.367 29.489 29.762 0.157 0.000 1.364 1468 H HN 0.117 nan 8.280 nan 0.000 0.490 1469 V N 0.799 120.673 119.914 -0.067 0.000 2.332 1469 V HA -0.218 3.905 4.120 0.005 0.000 0.248 1469 V C 2.390 178.381 176.094 -0.172 0.000 1.055 1469 V CA 2.173 64.398 62.300 -0.125 0.000 1.038 1469 V CB -0.357 31.432 31.823 -0.056 0.000 0.651 1469 V HN 0.467 nan 8.190 nan 0.000 0.450 1470 E N -0.878 119.177 120.200 -0.241 0.000 2.107 1470 E HA -0.140 4.213 4.350 0.005 0.000 0.191 1470 E C 2.167 178.590 176.600 -0.295 0.000 0.982 1470 E CA 1.016 57.241 56.400 -0.291 0.000 0.809 1470 E CB -0.346 29.117 29.700 -0.394 0.000 0.756 1470 E HN 0.670 nan 8.360 nan 0.000 0.459 1471 H N -0.984 117.959 119.070 -0.211 0.000 2.502 1471 H HA 0.093 4.652 4.556 0.005 0.000 0.283 1471 H C 1.473 176.751 175.328 -0.083 0.000 1.015 1471 H CA 1.174 57.131 56.048 -0.152 0.000 1.298 1471 H CB 0.540 30.142 29.762 -0.267 0.000 1.411 1471 H HN 0.075 nan 8.280 nan 0.000 0.556 1472 T N -2.230 112.289 114.554 -0.058 0.000 3.115 1472 T HA 0.256 4.610 4.350 0.005 0.000 0.256 1472 T C 1.403 176.041 174.700 -0.102 0.000 0.970 1472 T CA 0.865 62.897 62.100 -0.115 0.000 1.010 1472 T CB 0.308 68.957 68.868 -0.364 0.000 1.151 1472 T HN 0.514 nan 8.240 nan 0.000 0.479 1473 G N 1.754 110.483 108.800 -0.119 0.000 2.179 1473 G HA2 -0.261 3.702 3.960 0.005 0.000 0.260 1473 G HA3 -0.261 3.702 3.960 0.005 0.000 0.260 1473 G C 0.379 175.233 174.900 -0.078 0.000 0.977 1473 G CA 0.736 45.788 45.100 -0.080 0.000 0.641 1473 G HN 0.920 nan 8.290 nan 0.000 0.533 1474 S N 1.237 116.861 115.700 -0.127 0.000 3.225 1474 S HA 0.223 4.696 4.470 0.005 0.000 0.378 1474 S C 0.073 174.664 174.600 -0.014 0.000 1.190 1474 S CA 0.373 58.526 58.200 -0.079 0.000 1.104 1474 S CB 0.715 63.836 63.200 -0.132 0.000 0.795 1474 S HN 0.231 nan 8.310 nan 0.000 0.517 1475 P HA -0.072 nan 4.420 nan 0.000 0.218 1475 P C 1.342 178.658 177.300 0.026 0.000 1.148 1475 P CA 0.816 63.925 63.100 0.015 0.000 0.822 1475 P CB 0.137 31.848 31.700 0.018 0.000 0.784 1476 K N 0.226 120.649 120.400 0.039 0.000 2.057 1476 K HA -0.031 4.292 4.320 0.005 0.000 0.206 1476 K C 2.121 178.729 176.600 0.013 0.000 1.050 1476 K CA 1.896 58.199 56.287 0.027 0.000 0.935 1476 K CB -1.392 31.137 32.500 0.049 0.000 0.715 1476 K HN 0.059 nan 8.250 nan 0.000 0.439 1477 G N 1.038 109.884 108.800 0.077 0.000 2.433 1477 G HA2 -0.238 3.725 3.960 0.005 0.000 0.216 1477 G HA3 -0.238 3.725 3.960 0.005 0.000 0.216 1477 G C 1.304 176.236 174.900 0.053 0.000 1.186 1477 G CA 0.826 45.987 45.100 0.102 0.000 0.779 1477 G HN 0.314 nan 8.290 nan 0.000 0.543 1478 K N 0.718 121.137 120.400 0.032 0.000 2.044 1478 K HA -0.122 4.201 4.320 0.005 0.000 0.210 1478 K C 2.944 179.568 176.600 0.040 0.000 1.049 1478 K CA 1.290 57.593 56.287 0.026 0.000 0.927 1478 K CB -0.374 32.134 32.500 0.013 0.000 0.713 1478 K HN 0.273 nan 8.250 nan 0.000 0.443 1479 A N 1.599 124.435 122.820 0.027 0.000 1.902 1479 A HA -0.166 4.158 4.320 0.005 0.000 0.217 1479 A C 2.186 179.792 177.584 0.037 0.000 1.181 1479 A CA 1.387 53.453 52.037 0.049 0.000 0.623 1479 A CB -0.644 18.387 19.000 0.052 0.000 0.818 1479 A HN 0.203 nan 8.150 nan 0.000 0.443 1480 I N -0.374 120.118 120.570 -0.130 0.000 2.163 1480 I HA -0.297 3.876 4.170 0.005 0.000 0.243 1480 I C 2.361 178.599 176.117 0.201 0.000 1.085 1480 I CA 1.409 62.581 61.300 -0.213 0.000 1.347 1480 I CB -0.389 37.483 38.000 -0.214 0.000 1.044 1480 I HN 0.288 nan 8.210 nan 0.000 0.408 1481 L N 0.363 121.714 121.223 0.213 0.000 2.131 1481 L HA -0.168 4.175 4.340 0.005 0.000 0.210 1481 L C 2.714 179.718 176.870 0.222 0.000 1.092 1481 L CA 1.159 56.149 54.840 0.250 0.000 0.759 1481 L CB -0.665 41.438 42.059 0.073 0.000 0.903 1481 L HN 0.244 nan 8.230 nan 0.000 0.435 1482 A N -0.455 122.466 122.820 0.167 0.000 2.014 1482 A HA -0.059 4.265 4.320 0.005 0.000 0.218 1482 A C 1.180 178.877 177.584 0.189 0.000 1.163 1482 A CA 0.994 53.117 52.037 0.143 0.000 0.652 1482 A CB -0.179 18.883 19.000 0.105 0.000 0.808 1482 A HN 0.466 nan 8.150 nan 0.000 0.449 1483 N N -0.846 118.013 118.700 0.266 0.000 2.660 1483 N HA 0.030 4.773 4.740 0.005 0.000 0.316 1483 N C 0.441 176.148 175.510 0.329 0.000 1.774 1483 N CA -0.396 52.818 53.050 0.273 0.000 0.946 1483 N CB 0.143 38.803 38.487 0.288 0.000 1.322 1483 N HN 0.710 nan 8.380 nan 0.000 0.492 1484 W N 2.278 123.659 121.300 0.136 0.000 2.318 1484 W HA -0.261 4.403 4.660 0.006 0.000 0.313 1484 W C 1.877 178.476 176.519 0.133 0.000 1.221 1484 W CA 2.102 59.520 57.345 0.123 0.000 1.266 1484 W CB 0.094 29.586 29.460 0.054 0.000 1.150 1484 W HN 0.251 nan 8.180 nan 0.000 0.496 1485 S N -0.085 115.651 115.700 0.060 0.000 2.395 1485 S HA -0.174 4.299 4.470 0.005 0.000 0.225 1485 S C 1.296 175.840 174.600 -0.094 0.000 1.027 1485 S CA 1.551 59.714 58.200 -0.062 0.000 0.965 1485 S CB -0.635 62.592 63.200 0.044 0.000 0.812 1485 S HN 0.083 nan 8.310 nan 0.000 0.482 1486 D N 0.679 121.050 120.400 -0.048 0.000 2.149 1486 D HA -0.113 4.530 4.640 0.005 0.000 0.194 1486 D C 1.337 177.515 176.300 -0.203 0.000 1.001 1486 D CA 1.652 55.574 54.000 -0.130 0.000 0.849 1486 D CB -0.330 40.379 40.800 -0.152 0.000 0.939 1486 D HN 0.635 nan 8.370 nan 0.000 0.449 1487 Y N -0.339 119.862 120.300 -0.166 0.000 2.503 1487 Y HA 0.198 4.751 4.550 0.005 0.000 0.277 1487 Y C 2.120 177.916 175.900 -0.174 0.000 1.102 1487 Y CA -0.186 57.814 58.100 -0.166 0.000 1.261 1487 Y CB 0.165 38.564 38.460 -0.103 0.000 1.096 1487 Y HN -0.072 nan 8.280 nan 0.000 0.546 1488 L N -0.438 120.655 121.223 -0.217 0.000 1.997 1488 L HA -0.257 4.086 4.340 0.005 0.000 0.216 1488 L C 2.198 179.036 176.870 -0.054 0.000 1.074 1488 L CA 2.108 56.789 54.840 -0.265 0.000 0.763 1488 L CB -0.907 40.894 42.059 -0.429 0.000 0.890 1488 L HN 0.397 nan 8.230 nan 0.000 0.434 1489 G N -1.082 107.646 108.800 -0.118 0.000 2.708 1489 G HA2 -0.193 3.770 3.960 0.005 0.000 0.210 1489 G HA3 -0.193 3.770 3.960 0.005 0.000 0.210 1489 G C 1.463 176.231 174.900 -0.221 0.000 1.141 1489 G CA 0.230 45.239 45.100 -0.152 0.000 0.788 1489 G HN 0.396 nan 8.290 nan 0.000 0.531 1490 K N -0.787 119.508 120.400 -0.175 0.000 2.353 1490 K HA 0.236 4.560 4.320 0.005 0.000 0.195 1490 K C -0.220 176.174 176.600 -0.342 0.000 1.031 1490 K CA -0.478 55.647 56.287 -0.269 0.000 1.079 1490 K CB 0.369 32.738 32.500 -0.219 0.000 0.857 1490 K HN 0.245 nan 8.250 nan 0.000 0.535 1491 F N 0.323 120.165 119.950 -0.181 0.000 2.418 1491 F HA 0.165 4.695 4.527 0.005 0.000 0.341 1491 F C 0.182 175.899 175.800 -0.138 0.000 1.120 1491 F CA -0.351 57.617 58.000 -0.053 0.000 1.232 1491 F CB 0.523 39.542 39.000 0.030 0.000 1.175 1491 F HN -0.102 nan 8.300 nan 0.000 0.569 1492 W N 2.575 124.083 121.300 0.347 0.000 2.606 1492 W HA 0.451 5.116 4.660 0.008 0.000 0.332 1492 W C -0.588 176.114 176.519 0.304 0.000 1.052 1492 W CA -0.744 56.760 57.345 0.264 0.000 1.223 1492 W CB 1.255 30.823 29.460 0.180 0.000 1.383 1492 W HN 0.283 nan 8.180 nan 0.000 0.524 1493 Q N 2.542 122.600 119.800 0.430 0.000 2.307 1493 Q HA 0.673 5.016 4.340 0.005 0.000 0.262 1493 Q C -0.771 175.305 176.000 0.128 0.000 0.961 1493 Q CA -0.593 55.273 55.803 0.105 0.000 0.882 1493 Q CB 1.470 30.182 28.738 -0.043 0.000 1.264 1493 Q HN 0.592 nan 8.270 nan 0.000 0.446 1494 A N 3.813 126.691 122.820 0.097 0.000 2.289 1494 A HA 0.560 4.884 4.320 0.005 0.000 0.298 1494 A C -0.882 176.709 177.584 0.012 0.000 1.208 1494 A CA -0.456 51.647 52.037 0.111 0.000 0.845 1494 A CB 0.835 19.990 19.000 0.259 0.000 1.125 1494 A HN 0.544 nan 8.150 nan 0.000 0.517 1495 V N 6.096 126.020 119.914 0.017 0.000 2.419 1495 V HA 0.359 4.483 4.120 0.005 0.000 0.287 1495 V C -2.389 173.711 176.094 0.011 0.000 1.017 1495 V CA -1.359 60.944 62.300 0.005 0.000 0.844 1495 V CB 1.739 33.570 31.823 0.014 0.000 1.011 1495 V HN 0.859 nan 8.190 nan 0.000 0.429 1496 P HA 0.292 nan 4.420 nan 0.000 0.274 1496 P C -2.662 174.645 177.300 0.013 0.000 1.231 1496 P CA -2.134 60.973 63.100 0.012 0.000 0.790 1496 P CB 0.497 32.208 31.700 0.018 0.000 0.951 1497 P HA 0.024 nan 4.420 nan 0.000 0.238 1497 P C 0.413 177.721 177.300 0.014 0.000 1.729 1497 P CA 0.540 63.647 63.100 0.012 0.000 1.055 1497 P CB -0.757 30.949 31.700 0.009 0.000 1.980 1498 S N -0.548 115.161 115.700 0.015 0.000 2.290 1498 S HA 0.057 4.530 4.470 0.005 0.000 0.266 1498 S C 0.898 175.508 174.600 0.017 0.000 0.995 1498 S CA -0.361 57.849 58.200 0.015 0.000 1.482 1498 S CB -0.258 62.951 63.200 0.016 0.000 1.176 1498 S HN 0.016 nan 8.310 nan 0.000 0.599 1499 E N 1.327 121.538 120.200 0.019 0.000 2.498 1499 E HA 0.318 4.671 4.350 0.005 0.000 0.203 1499 E C 1.034 177.648 176.600 0.023 0.000 1.013 1499 E CA -0.103 56.310 56.400 0.021 0.000 0.927 1499 E CB 0.409 30.120 29.700 0.019 0.000 1.012 1499 E HN 0.545 nan 8.360 nan 0.000 0.482 1500 K N 0.874 121.288 120.400 0.022 0.000 2.148 1500 K HA -0.088 4.235 4.320 0.005 0.000 0.204 1500 K C 0.562 177.179 176.600 0.028 0.000 1.050 1500 K CA 1.024 57.326 56.287 0.025 0.000 0.942 1500 K CB 0.316 32.829 32.500 0.022 0.000 0.724 1500 K HN -0.052 nan 8.250 nan 0.000 0.446 1501 D N 0.315 120.731 120.400 0.025 0.000 2.424 1501 D HA -0.006 4.638 4.640 0.005 0.000 0.220 1501 D C -0.171 176.145 176.300 0.028 0.000 1.150 1501 D CA 0.101 54.116 54.000 0.026 0.000 0.831 1501 D CB 0.575 41.388 40.800 0.022 0.000 0.981 1501 D HN 0.121 nan 8.370 nan 0.000 0.500 1502 S N 0.705 116.424 115.700 0.031 0.000 2.565 1502 S HA 0.223 4.696 4.470 0.005 0.000 0.276 1502 S C -1.693 172.931 174.600 0.041 0.000 1.326 1502 S CA -0.948 57.273 58.200 0.035 0.000 1.045 1502 S CB 2.235 65.457 63.200 0.037 0.000 0.918 1502 S HN -0.235 nan 8.310 nan 0.000 0.505 1503 P HA -0.127 nan 4.420 nan 0.000 0.219 1503 P C 1.215 178.550 177.300 0.058 0.000 1.146 1503 P CA 1.059 64.185 63.100 0.043 0.000 0.808 1503 P CB -0.021 31.701 31.700 0.037 0.000 0.779 1504 E N -0.462 119.780 120.200 0.069 0.000 2.418 1504 E HA -0.010 4.343 4.350 0.005 0.000 0.197 1504 E C 1.512 178.175 176.600 0.106 0.000 1.026 1504 E CA 1.085 57.546 56.400 0.101 0.000 0.862 1504 E CB -0.836 28.945 29.700 0.135 0.000 0.799 1504 E HN 0.241 nan 8.360 nan 0.000 0.518 1505 A N 0.675 123.540 122.820 0.074 0.000 2.229 1505 A HA 0.147 4.470 4.320 0.005 0.000 0.211 1505 A C 0.680 178.301 177.584 0.062 0.000 1.193 1505 A CA -0.024 52.052 52.037 0.065 0.000 0.879 1505 A CB -0.088 18.938 19.000 0.043 0.000 0.911 1505 A HN 0.209 nan 8.150 nan 0.000 0.492 1506 N N 0.005 118.739 118.700 0.057 0.000 2.581 1506 N HA 0.464 5.207 4.740 0.005 0.000 0.279 1506 N C -1.408 174.130 175.510 0.047 0.000 1.124 1506 N CA -0.346 52.734 53.050 0.049 0.000 0.833 1506 N CB 0.446 38.957 38.487 0.040 0.000 1.338 1506 N HN 0.247 nan 8.380 nan 0.000 0.533 1507 N N 0.000 118.729 118.700 0.049 0.000 1.763 1507 N HA 0.000 4.743 4.740 0.005 0.000 0.220 1507 N CA 0.000 53.075 53.050 0.043 0.000 0.885 1507 N CB 0.000 38.509 38.487 0.036 0.000 1.341 1507 N HN 0.000 nan 8.380 nan 0.000 0.667