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 1ti6_1_K DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.019 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 G N -0.926 107.886 108.800 0.021 0.000 2.561 2 G HA2 0.678 4.638 3.960 0.001 0.000 0.310 2 G HA3 0.678 4.638 3.960 0.001 0.000 0.310 2 G C -1.517 173.397 174.900 0.023 0.000 1.292 2 G CA -0.635 44.478 45.100 0.023 0.000 0.811 2 G HN -0.098 nan 8.290 nan 0.000 0.482 3 E N -0.735 119.480 120.200 0.025 0.000 2.254 3 E HA 0.544 4.894 4.350 0.001 0.000 0.261 3 E C -0.097 176.525 176.600 0.036 0.000 1.051 3 E CA -0.688 55.728 56.400 0.027 0.000 0.902 3 E CB 1.960 31.672 29.700 0.021 0.000 1.168 3 E HN 0.233 nan 8.360 nan 0.000 0.423 4 V N 1.256 121.198 119.914 0.047 0.000 2.583 4 V HA 0.180 4.301 4.120 0.001 0.000 0.287 4 V C 0.156 176.280 176.094 0.051 0.000 1.051 4 V CA -0.399 61.945 62.300 0.072 0.000 1.010 4 V CB 1.270 33.162 31.823 0.116 0.000 0.988 4 V HN 0.292 nan 8.190 nan 0.000 0.478 5 V N 5.427 125.359 119.914 0.030 0.000 2.604 5 V HA 0.491 4.611 4.120 0.001 0.000 0.305 5 V C 0.082 176.093 176.094 -0.138 0.000 1.043 5 V CA -0.902 61.375 62.300 -0.038 0.000 0.888 5 V CB 1.960 33.769 31.823 -0.024 0.000 0.995 5 V HN 0.838 nan 8.190 nan 0.000 0.429 6 R N 4.145 124.479 120.500 -0.277 0.000 2.202 6 R HA 0.663 5.004 4.340 0.001 0.000 0.334 6 R C -1.204 174.912 176.300 -0.306 0.000 1.036 6 R CA -0.274 55.498 56.100 -0.547 0.000 0.878 6 R CB 0.529 30.359 30.300 -0.783 0.000 1.067 6 R HN 0.674 nan 8.270 nan 0.000 0.457 7 L N 1.951 123.053 121.223 -0.201 0.000 2.260 7 L HA 0.598 4.939 4.340 0.001 0.000 0.265 7 L C 0.199 177.092 176.870 0.038 0.000 1.015 7 L CA -1.031 53.763 54.840 -0.076 0.000 0.826 7 L CB 2.253 44.281 42.059 -0.052 0.000 1.373 7 L HN 0.677 nan 8.230 nan 0.000 0.450 8 T N -2.064 112.510 114.554 0.033 0.000 2.908 8 T HA 0.597 4.948 4.350 0.001 0.000 0.290 8 T C -0.647 174.030 174.700 -0.039 0.000 1.034 8 T CA -0.687 61.447 62.100 0.056 0.000 1.010 8 T CB 2.433 71.344 68.868 0.071 0.000 1.068 8 T HN 0.575 nan 8.240 nan 0.000 0.481 9 N N -0.401 118.251 118.700 -0.081 0.000 3.339 9 N HA 0.538 5.279 4.740 0.001 0.000 0.275 9 N C -1.625 173.778 175.510 -0.177 0.000 1.514 9 N CA -0.435 52.490 53.050 -0.209 0.000 0.879 9 N CB 1.865 40.035 38.487 -0.529 0.000 1.557 9 N HN 0.776 nan 8.380 nan 0.000 0.524 10 S N -1.114 114.458 115.700 -0.214 0.000 2.776 10 S HA 0.865 5.335 4.470 0.001 0.000 0.292 10 S C -1.518 173.025 174.600 -0.094 0.000 1.187 10 S CA 0.070 58.214 58.200 -0.093 0.000 0.834 10 S CB 0.780 64.056 63.200 0.128 0.000 1.199 10 S HN 0.935 nan 8.310 nan 0.000 0.514 11 S N -0.580 115.010 115.700 -0.183 0.000 2.655 11 S HA 0.346 4.816 4.470 0.001 0.000 0.266 11 S C 0.420 174.747 174.600 -0.455 0.000 1.149 11 S CA 0.202 58.306 58.200 -0.160 0.000 0.818 11 S CB 0.332 63.444 63.200 -0.146 0.000 1.130 11 S HN 1.141 nan 8.310 nan 0.000 0.476 12 T N -2.128 112.349 114.554 -0.129 0.000 3.160 12 T HA 0.271 4.621 4.350 0.001 0.000 0.257 12 T C 1.247 176.041 174.700 0.156 0.000 1.147 12 T CA 0.900 62.983 62.100 -0.029 0.000 1.064 12 T CB -0.638 68.438 68.868 0.347 0.000 0.949 12 T HN 1.209 nan 8.240 nan 0.000 0.526 13 G N -0.175 108.663 108.800 0.063 0.000 3.519 13 G HA2 0.579 4.540 3.960 0.001 0.000 0.269 13 G HA3 0.579 4.540 3.960 0.001 0.000 0.269 13 G C 0.547 175.359 174.900 -0.147 0.000 1.028 13 G CA -0.118 44.960 45.100 -0.037 0.000 0.809 13 G HN 0.965 nan 8.290 nan 0.000 0.521 14 G N -0.305 108.365 108.800 -0.218 0.000 2.515 14 G HA2 0.111 4.071 3.960 0.001 0.000 0.686 14 G HA3 0.111 4.071 3.960 0.001 0.000 0.686 14 G C -3.381 171.208 174.900 -0.519 0.000 1.274 14 G CA -0.961 43.868 45.100 -0.452 0.000 0.874 14 G HN 0.126 nan 8.290 nan 0.000 0.631 15 P HA 0.544 nan 4.420 nan 0.000 0.274 15 P C 0.051 177.120 177.300 -0.385 0.000 1.231 15 P CA -0.130 62.686 63.100 -0.473 0.000 0.790 15 P CB 1.422 32.803 31.700 -0.531 0.000 0.951 16 V N -1.735 118.016 119.914 -0.271 0.000 3.147 16 V HA 0.561 4.682 4.120 0.001 0.000 0.306 16 V C -1.239 174.773 176.094 -0.137 0.000 1.209 16 V CA -1.052 61.138 62.300 -0.183 0.000 1.023 16 V CB 1.825 33.666 31.823 0.030 0.000 1.059 16 V HN 0.283 nan 8.190 nan 0.000 0.435 17 F N 1.260 121.199 119.950 -0.020 0.000 2.410 17 F HA 0.707 5.235 4.527 0.001 0.000 0.349 17 F C 0.054 175.878 175.800 0.039 0.000 1.117 17 F CA -0.922 57.043 58.000 -0.059 0.000 1.104 17 F CB 2.087 41.049 39.000 -0.064 0.000 1.122 17 F HN 0.380 nan 8.300 nan 0.000 0.483 18 V N 4.852 124.882 119.914 0.193 0.000 2.357 18 V HA 0.208 4.328 4.120 0.001 0.000 0.284 18 V C -0.836 175.295 176.094 0.062 0.000 1.018 18 V CA -0.967 61.460 62.300 0.211 0.000 0.841 18 V CB 0.813 32.789 31.823 0.254 0.000 0.991 18 V HN 0.445 nan 8.190 nan 0.000 0.437 19 Y N 3.731 124.089 120.300 0.098 0.000 2.350 19 Y HA 0.591 5.141 4.550 0.001 0.000 0.340 19 Y C 0.215 176.154 175.900 0.065 0.000 1.006 19 Y CA -0.546 57.587 58.100 0.056 0.000 1.166 19 Y CB 1.514 39.996 38.460 0.036 0.000 1.168 19 Y HN 0.391 nan 8.280 nan 0.000 0.502 20 V N 4.130 124.134 119.914 0.148 0.000 2.680 20 V HA 0.561 4.681 4.120 0.001 0.000 0.309 20 V C -0.593 175.559 176.094 0.096 0.000 1.052 20 V CA -1.420 60.953 62.300 0.121 0.000 0.908 20 V CB 2.115 33.993 31.823 0.091 0.000 1.001 20 V HN 0.638 nan 8.190 nan 0.000 0.431 21 K N 2.081 122.533 120.400 0.087 0.000 2.513 21 K HA 0.372 4.692 4.320 0.001 0.000 0.251 21 K C -0.920 175.712 176.600 0.054 0.000 0.939 21 K CA -0.505 55.820 56.287 0.064 0.000 0.793 21 K CB 1.494 34.030 32.500 0.059 0.000 1.241 21 K HN 0.740 nan 8.250 nan 0.000 0.431 22 D N 3.136 123.563 120.400 0.045 0.000 2.701 22 D HA -0.193 4.447 4.640 0.001 0.000 0.235 22 D C 0.559 176.887 176.300 0.046 0.000 1.155 22 D CA 1.882 55.906 54.000 0.039 0.000 0.649 22 D CB -1.165 39.651 40.800 0.027 0.000 1.050 22 D HN 1.110 nan 8.370 nan 0.000 0.425 23 G N -0.095 108.741 108.800 0.060 0.000 2.153 23 G HA2 -0.364 3.596 3.960 0.001 0.000 0.252 23 G HA3 -0.364 3.596 3.960 0.001 0.000 0.252 23 G C 0.212 175.171 174.900 0.098 0.000 0.994 23 G CA 0.900 46.044 45.100 0.074 0.000 0.698 23 G HN 0.660 nan 8.290 nan 0.000 0.521 24 K N -0.066 120.393 120.400 0.099 0.000 2.371 24 K HA 0.673 4.993 4.320 0.001 0.000 0.251 24 K C 0.124 176.828 176.600 0.174 0.000 0.934 24 K CA -1.263 55.102 56.287 0.130 0.000 0.798 24 K CB 1.120 33.638 32.500 0.029 0.000 1.204 24 K HN 0.097 nan 8.250 nan 0.000 0.427 25 I N 6.108 126.851 120.570 0.289 0.000 2.416 25 I HA 0.047 4.217 4.170 0.001 0.000 0.288 25 I C 1.164 177.406 176.117 0.209 0.000 1.051 25 I CA -0.084 61.361 61.300 0.243 0.000 1.375 25 I CB 0.807 38.940 38.000 0.220 0.000 1.407 25 I HN 0.682 nan 8.210 nan 0.000 0.516 26 I N 5.639 126.310 120.570 0.168 0.000 2.556 26 I HA 0.049 4.219 4.170 0.001 0.000 0.251 26 I C 0.893 177.077 176.117 0.112 0.000 1.105 26 I CA 0.529 61.902 61.300 0.121 0.000 1.436 26 I CB 0.068 38.129 38.000 0.101 0.000 1.139 26 I HN 0.657 nan 8.210 nan 0.000 0.438 27 R N 0.340 120.928 120.500 0.147 0.000 2.712 27 R HA 0.624 4.964 4.340 0.001 0.000 0.272 27 R C -1.712 174.713 176.300 0.208 0.000 1.032 27 R CA -0.808 55.365 56.100 0.122 0.000 0.874 27 R CB 1.445 31.751 30.300 0.010 0.000 1.256 27 R HN -0.125 nan 8.270 nan 0.000 0.468 28 M N 1.570 121.271 119.600 0.169 0.000 2.395 28 M HA 0.449 4.929 4.480 0.001 0.000 0.307 28 M C -0.907 175.493 176.300 0.167 0.000 1.091 28 M CA -0.772 54.650 55.300 0.202 0.000 0.919 28 M CB 2.699 35.382 32.600 0.138 0.000 1.662 28 M HN 0.972 nan 8.290 nan 0.000 0.440 29 T N 0.206 114.884 114.554 0.207 0.000 2.841 29 T HA 0.765 5.115 4.350 0.001 0.000 0.296 29 T C -3.072 171.662 174.700 0.056 0.000 1.166 29 T CA -1.971 60.212 62.100 0.139 0.000 1.007 29 T CB 2.164 71.152 68.868 0.199 0.000 1.253 29 T HN 0.237 nan 8.240 nan 0.000 0.511 30 P HA 0.384 nan 4.420 nan 0.000 0.273 30 P C -0.692 176.495 177.300 -0.189 0.000 1.250 30 P CA -0.570 62.454 63.100 -0.127 0.000 0.793 30 P CB 0.318 31.961 31.700 -0.094 0.000 1.011 31 M N 0.988 120.347 119.600 -0.402 0.000 2.180 31 M HA 0.300 4.781 4.480 0.001 0.000 0.350 31 M C -0.596 175.492 176.300 -0.353 0.000 1.125 31 M CA -0.224 54.718 55.300 -0.598 0.000 1.031 31 M CB 0.864 32.830 32.600 -1.057 0.000 1.623 31 M HN 0.186 nan 8.290 nan 0.000 0.451 32 D N 2.513 122.882 120.400 -0.053 0.000 2.177 32 D HA 0.424 5.064 4.640 0.001 0.000 0.247 32 D C -0.854 175.504 176.300 0.096 0.000 1.063 32 D CA -0.028 53.910 54.000 -0.104 0.000 0.867 32 D CB 1.022 41.834 40.800 0.021 0.000 1.168 32 D HN 0.321 nan 8.370 nan 0.000 0.445 33 F N 0.717 120.670 119.950 0.004 0.000 2.382 33 F HA 0.152 4.679 4.527 0.001 0.000 0.331 33 F C 1.114 176.967 175.800 0.088 0.000 1.121 33 F CA -0.684 57.347 58.000 0.051 0.000 1.183 33 F CB 0.808 39.782 39.000 -0.044 0.000 1.207 33 F HN 0.180 nan 8.300 nan 0.000 0.555 34 D N 2.128 122.734 120.400 0.343 0.000 2.443 34 D HA 0.070 4.710 4.640 0.001 0.000 0.221 34 D C 0.270 176.651 176.300 0.135 0.000 1.097 34 D CA -0.321 53.798 54.000 0.197 0.000 0.865 34 D CB 0.657 41.563 40.800 0.176 0.000 1.034 34 D HN 0.414 nan 8.370 nan 0.000 0.511 35 D N 2.728 123.194 120.400 0.109 0.000 2.351 35 D HA -0.105 4.536 4.640 0.001 0.000 0.216 35 D C 1.551 177.879 176.300 0.046 0.000 0.968 35 D CA 0.472 54.515 54.000 0.072 0.000 0.899 35 D CB 0.233 41.072 40.800 0.064 0.000 0.907 35 D HN 0.532 nan 8.370 nan 0.000 0.514 36 A N 0.176 123.025 122.820 0.048 0.000 2.072 36 A HA 0.033 4.353 4.320 0.001 0.000 0.216 36 A C 2.087 179.688 177.584 0.028 0.000 1.156 36 A CA 1.086 53.144 52.037 0.035 0.000 0.701 36 A CB 0.152 19.172 19.000 0.034 0.000 0.816 36 A HN 0.237 nan 8.150 nan 0.000 0.458 37 V N -4.522 115.407 119.914 0.026 0.000 3.485 37 V HA 0.271 4.392 4.120 0.001 0.000 0.280 37 V C -0.717 175.361 176.094 -0.027 0.000 1.495 37 V CA -0.224 62.081 62.300 0.008 0.000 1.018 37 V CB 0.102 31.924 31.823 -0.002 0.000 0.818 37 V HN 0.156 nan 8.190 nan 0.000 0.436 38 D N 2.768 123.142 120.400 -0.043 0.000 2.233 38 D HA 0.675 5.315 4.640 0.001 0.000 0.240 38 D C 0.515 176.723 176.300 -0.155 0.000 1.074 38 D CA 0.493 54.399 54.000 -0.157 0.000 0.838 38 D CB 2.023 42.704 40.800 -0.198 0.000 1.124 38 D HN 0.527 nan 8.370 nan 0.000 0.475 39 A N 3.834 126.522 122.820 -0.219 0.000 2.547 39 A HA 0.253 4.574 4.320 0.001 0.000 0.233 39 A C -2.015 175.507 177.584 -0.103 0.000 1.067 39 A CA -0.515 51.431 52.037 -0.152 0.000 0.763 39 A CB -0.483 18.388 19.000 -0.214 0.000 1.007 39 A HN 0.334 nan 8.150 nan 0.000 0.506 40 P HA 0.222 nan 4.420 nan 0.000 0.271 40 P C -0.171 177.152 177.300 0.039 0.000 1.233 40 P CA -0.167 62.941 63.100 0.012 0.000 0.789 40 P CB 0.550 32.263 31.700 0.021 0.000 0.951 41 S N 0.329 116.061 115.700 0.054 0.000 2.669 41 S HA 0.356 4.826 4.470 0.001 0.000 0.270 41 S C -0.070 174.504 174.600 -0.044 0.000 1.225 41 S CA -0.709 57.495 58.200 0.007 0.000 0.991 41 S CB 0.209 63.372 63.200 -0.061 0.000 0.987 41 S HN 0.489 nan 8.310 nan 0.000 0.552 42 W N 0.565 121.904 121.300 0.065 0.000 2.049 42 W HA 0.587 5.248 4.660 0.001 0.000 0.356 42 W C -0.635 175.919 176.519 0.060 0.000 1.323 42 W CA -0.574 56.795 57.345 0.040 0.000 1.336 42 W CB -0.049 29.419 29.460 0.014 0.000 1.176 42 W HN 0.379 nan 8.180 nan 0.000 0.623 43 K N 1.140 121.802 120.400 0.436 0.000 2.469 43 K HA 0.605 4.925 4.320 0.001 0.000 0.254 43 K C -1.100 175.723 176.600 0.372 0.000 0.939 43 K CA -0.929 55.541 56.287 0.305 0.000 0.812 43 K CB 2.712 35.283 32.500 0.119 0.000 1.301 43 K HN 0.365 nan 8.250 nan 0.000 0.433 44 I N 1.967 122.739 120.570 0.336 0.000 2.498 44 I HA 0.226 4.396 4.170 0.001 0.000 0.290 44 I C -0.845 175.376 176.117 0.174 0.000 1.032 44 I CA -0.815 60.630 61.300 0.241 0.000 1.073 44 I CB 2.168 40.319 38.000 0.253 0.000 1.251 44 I HN 0.457 nan 8.210 nan 0.000 0.426 45 E N 4.959 125.221 120.200 0.103 0.000 2.081 45 E HA 0.701 5.052 4.350 0.001 0.000 0.276 45 E C -0.918 175.728 176.600 0.075 0.000 0.950 45 E CA -0.242 56.191 56.400 0.055 0.000 0.776 45 E CB 1.658 31.370 29.700 0.021 0.000 1.094 45 E HN 0.629 nan 8.360 nan 0.000 0.402 46 A N 3.509 126.407 122.820 0.129 0.000 2.488 46 A HA 0.558 4.878 4.320 0.001 0.000 0.298 46 A C -0.506 177.157 177.584 0.133 0.000 1.044 46 A CA -0.834 51.277 52.037 0.124 0.000 0.693 46 A CB 0.893 19.974 19.000 0.135 0.000 1.272 46 A HN 0.710 nan 8.150 nan 0.000 0.402 47 R N 1.215 121.747 120.500 0.053 0.000 3.301 47 R HA -0.231 4.109 4.340 0.001 0.000 0.249 47 R C 1.088 177.405 176.300 0.028 0.000 0.964 47 R CA 1.165 57.294 56.100 0.047 0.000 0.653 47 R CB -1.950 28.395 30.300 0.075 0.000 1.043 47 R HN 2.505 nan 8.270 nan 0.000 0.454 48 G N -0.456 108.342 108.800 -0.003 0.000 2.153 48 G HA2 -0.367 3.593 3.960 0.001 0.000 0.252 48 G HA3 -0.367 3.593 3.960 0.001 0.000 0.252 48 G C -0.023 174.820 174.900 -0.096 0.000 0.994 48 G CA 1.049 46.127 45.100 -0.035 0.000 0.698 48 G HN 0.455 nan 8.290 nan 0.000 0.521 49 K N -0.621 119.686 120.400 -0.156 0.000 2.443 49 K HA 0.646 4.966 4.320 0.001 0.000 0.251 49 K C -0.821 175.459 176.600 -0.534 0.000 0.972 49 K CA -0.714 55.332 56.287 -0.401 0.000 0.833 49 K CB 1.893 34.018 32.500 -0.625 0.000 1.317 49 K HN 0.034 nan 8.250 nan 0.000 0.441 50 T N 1.906 116.082 114.554 -0.631 0.000 2.770 50 T HA 0.481 4.832 4.350 0.001 0.000 0.283 50 T C -0.990 173.271 174.700 -0.732 0.000 0.988 50 T CA -0.500 61.317 62.100 -0.473 0.000 0.957 50 T CB 0.071 68.793 68.868 -0.244 0.000 0.930 50 T HN 0.223 nan 8.240 nan 0.000 0.443 51 F N 1.696 121.456 119.950 -0.316 0.000 2.444 51 F HA 0.627 5.155 4.527 0.001 0.000 0.342 51 F C 0.826 176.442 175.800 -0.307 0.000 1.121 51 F CA -0.741 56.884 58.000 -0.624 0.000 0.997 51 F CB 2.093 40.405 39.000 -1.147 0.000 1.130 51 F HN 0.357 nan 8.300 nan 0.000 0.454 52 T N 4.675 119.184 114.554 -0.076 0.000 2.952 52 T HA 0.477 4.827 4.350 0.001 0.000 0.305 52 T C -2.822 171.889 174.700 0.020 0.000 1.064 52 T CA -1.844 60.153 62.100 -0.171 0.000 1.008 52 T CB 1.584 70.372 68.868 -0.134 0.000 1.078 52 T HN 0.327 nan 8.240 nan 0.000 0.459 53 P HA 0.401 nan 4.420 nan 0.000 0.274 53 P C -2.779 174.543 177.300 0.036 0.000 1.246 53 P CA -1.332 61.714 63.100 -0.090 0.000 0.795 53 P CB -0.522 30.951 31.700 -0.378 0.000 1.006 54 P HA 0.198 nan 4.420 nan 0.000 0.271 54 P C 0.301 177.621 177.300 0.033 0.000 1.218 54 P CA -0.088 63.038 63.100 0.042 0.000 0.780 54 P CB 0.325 32.024 31.700 -0.001 0.000 0.901 55 R N 2.673 123.137 120.500 -0.060 0.000 4.792 55 R HA 0.165 4.505 4.340 0.001 0.000 0.205 55 R C 0.384 176.277 176.300 -0.678 0.000 1.875 55 R CA 0.310 56.303 56.100 -0.180 0.000 1.588 55 R CB -0.622 29.667 30.300 -0.019 0.000 1.401 55 R HN 0.493 nan 8.270 nan 0.000 0.834 56 K N -0.221 119.693 120.400 -0.811 0.000 2.642 56 K HA 0.144 4.464 4.320 0.001 0.000 0.290 56 K C -0.806 175.480 176.600 -0.522 0.000 1.006 56 K CA -0.494 55.274 56.287 -0.864 0.000 0.869 56 K CB 1.566 33.829 32.500 -0.396 0.000 1.499 56 K HN 0.103 nan 8.250 nan 0.000 0.403 57 T N -1.206 113.107 114.554 -0.402 0.000 2.923 57 T HA 0.673 5.024 4.350 0.001 0.000 0.281 57 T C -0.094 174.567 174.700 -0.065 0.000 0.995 57 T CA -0.495 61.549 62.100 -0.093 0.000 0.985 57 T CB 1.266 70.025 68.868 -0.182 0.000 1.114 57 T HN 0.622 nan 8.240 nan 0.000 0.548 58 S N -0.174 115.554 115.700 0.047 0.000 2.595 58 S HA 0.780 5.251 4.470 0.001 0.000 0.281 58 S C -0.562 174.055 174.600 0.027 0.000 1.117 58 S CA -1.102 57.135 58.200 0.062 0.000 0.873 58 S CB 1.028 64.327 63.200 0.165 0.000 1.108 58 S HN 1.178 nan 8.310 nan 0.000 0.477 59 I N -1.264 119.321 120.570 0.025 0.000 2.892 59 I HA 0.936 5.107 4.170 0.001 0.000 0.306 59 I C -0.084 175.989 176.117 -0.074 0.000 1.078 59 I CA -1.601 59.658 61.300 -0.069 0.000 1.032 59 I CB 1.620 39.563 38.000 -0.094 0.000 1.229 59 I HN 0.845 nan 8.210 nan 0.000 0.435 60 A N 3.914 126.535 122.820 -0.332 0.000 2.271 60 A HA 0.636 4.957 4.320 0.001 0.000 0.288 60 A C -1.864 175.465 177.584 -0.426 0.000 1.094 60 A CA -1.525 50.169 52.037 -0.572 0.000 0.828 60 A CB -0.139 18.159 19.000 -1.170 0.000 1.091 60 A HN 0.713 nan 8.150 nan 0.000 0.493 61 P HA -0.226 nan 4.420 nan 0.000 0.215 61 P C 0.908 178.180 177.300 -0.047 0.000 1.157 61 P CA 2.240 65.322 63.100 -0.030 0.000 0.874 61 P CB -0.257 31.552 31.700 0.183 0.000 0.790 62 Y N -2.451 117.895 120.300 0.075 0.000 2.497 62 Y HA -0.010 4.541 4.550 0.001 0.000 0.292 62 Y C 1.901 177.893 175.900 0.153 0.000 1.137 62 Y CA 1.052 59.199 58.100 0.078 0.000 1.285 62 Y CB -2.208 36.279 38.460 0.044 0.000 0.991 62 Y HN -0.154 nan 8.280 nan 0.000 0.556 63 T N 0.223 114.777 114.554 0.000 0.000 2.976 63 T HA 0.123 4.473 4.350 0.001 0.000 0.257 63 T C 2.231 176.990 174.700 0.098 0.000 1.051 63 T CA 0.894 63.046 62.100 0.086 0.000 1.141 63 T CB -0.376 68.444 68.868 -0.080 0.000 0.881 63 T HN 0.528 nan 8.240 nan 0.000 0.461 64 A N 1.149 123.991 122.820 0.036 0.000 1.978 64 A HA 0.132 4.452 4.320 0.001 0.000 0.220 64 A C 2.142 179.799 177.584 0.121 0.000 1.170 64 A CA 1.655 53.730 52.037 0.063 0.000 0.636 64 A CB -0.759 18.265 19.000 0.040 0.000 0.810 64 A HN 0.498 nan 8.150 nan 0.000 0.448 65 G N -2.826 106.064 108.800 0.150 0.000 3.690 65 G HA2 0.290 4.251 3.960 0.001 0.000 0.283 65 G HA3 0.290 4.251 3.960 0.001 0.000 0.283 65 G C 0.707 175.644 174.900 0.061 0.000 1.057 65 G CA 0.099 45.310 45.100 0.186 0.000 0.821 65 G HN 0.327 nan 8.290 nan 0.000 0.526 66 F N 1.277 121.199 119.950 -0.047 0.000 2.269 66 F HA 0.022 4.549 4.527 0.001 0.000 0.301 66 F C 2.424 178.091 175.800 -0.223 0.000 1.082 66 F CA 1.443 59.375 58.000 -0.112 0.000 1.360 66 F CB 0.298 39.242 39.000 -0.094 0.000 1.041 66 F HN 0.198 nan 8.300 nan 0.000 0.512 67 K N 0.129 120.441 120.400 -0.146 0.000 2.152 67 K HA -0.206 4.114 4.320 0.001 0.000 0.206 67 K C 2.189 178.592 176.600 -0.328 0.000 1.048 67 K CA 1.662 57.812 56.287 -0.229 0.000 0.933 67 K CB -0.313 32.178 32.500 -0.016 0.000 0.721 67 K HN 0.398 nan 8.250 nan 0.000 0.447 68 S N -0.098 115.298 115.700 -0.506 0.000 2.474 68 S HA -0.100 4.370 4.470 0.001 0.000 0.235 68 S C 1.831 176.166 174.600 -0.441 0.000 0.997 68 S CA 0.824 58.619 58.200 -0.676 0.000 0.949 68 S CB -0.138 62.197 63.200 -1.442 0.000 0.766 68 S HN 0.296 nan 8.310 nan 0.000 0.517 69 M N 0.512 119.794 119.600 -0.530 0.000 2.357 69 M HA 0.239 4.720 4.480 0.001 0.000 0.266 69 M C 1.995 178.193 176.300 -0.171 0.000 1.095 69 M CA 0.916 55.935 55.300 -0.467 0.000 1.156 69 M CB -0.378 31.681 32.600 -0.900 0.000 1.365 69 M HN 0.281 nan 8.290 nan 0.000 0.447 70 I N -0.751 119.562 120.570 -0.429 0.000 2.142 70 I HA -0.273 3.897 4.170 0.001 0.000 0.240 70 I C 1.030 176.981 176.117 -0.277 0.000 1.078 70 I CA 1.437 62.513 61.300 -0.372 0.000 1.343 70 I CB -0.288 37.326 38.000 -0.644 0.000 1.046 70 I HN 0.225 nan 8.210 nan 0.000 0.405 71 Y N 0.894 121.148 120.300 -0.078 0.000 2.676 71 Y HA 0.229 4.779 4.550 0.001 0.000 0.331 71 Y C 1.191 177.069 175.900 -0.036 0.000 1.128 71 Y CA -0.680 57.390 58.100 -0.049 0.000 1.360 71 Y CB -0.673 37.754 38.460 -0.055 0.000 1.176 71 Y HN -0.058 nan 8.280 nan 0.000 0.518 72 S N 1.043 116.811 115.700 0.112 0.000 2.564 72 S HA -0.006 4.464 4.470 0.001 0.000 0.278 72 S C 1.060 175.734 174.600 0.123 0.000 1.333 72 S CA -0.510 57.754 58.200 0.106 0.000 1.048 72 S CB 0.547 63.849 63.200 0.170 0.000 0.900 72 S HN 0.561 nan 8.310 nan 0.000 0.505 73 D N 3.731 124.182 120.400 0.085 0.000 2.363 73 D HA -0.014 4.626 4.640 0.001 0.000 0.226 73 D C 1.031 177.403 176.300 0.121 0.000 1.020 73 D CA 0.494 54.526 54.000 0.054 0.000 0.892 73 D CB -0.252 40.551 40.800 0.006 0.000 0.900 73 D HN 0.520 nan 8.370 nan 0.000 0.531 74 L N -0.742 120.620 121.223 0.232 0.000 2.667 74 L HA 0.256 4.596 4.340 0.001 0.000 0.232 74 L C 0.744 177.875 176.870 0.435 0.000 1.138 74 L CA -0.679 54.402 54.840 0.402 0.000 0.921 74 L CB 0.053 42.307 42.059 0.325 0.000 1.180 74 L HN -0.129 nan 8.230 nan 0.000 0.487 75 R N 1.558 122.233 120.500 0.293 0.000 2.489 75 R HA 0.155 4.495 4.340 0.001 0.000 0.287 75 R C -0.162 176.162 176.300 0.040 0.000 1.053 75 R CA 0.044 56.194 56.100 0.084 0.000 1.036 75 R CB 0.131 30.432 30.300 0.001 0.000 0.966 75 R HN 0.064 nan 8.270 nan 0.000 0.432 76 I N 9.099 129.635 120.570 -0.057 0.000 2.664 76 I HA 0.020 4.191 4.170 0.001 0.000 0.284 76 I C -1.305 174.697 176.117 -0.191 0.000 1.154 76 I CA -1.326 59.918 61.300 -0.093 0.000 1.402 76 I CB 0.998 38.918 38.000 -0.134 0.000 1.395 76 I HN 0.653 nan 8.210 nan 0.000 0.545 77 P HA -0.081 nan 4.420 nan 0.000 0.217 77 P C -0.879 176.181 177.300 -0.400 0.000 1.151 77 P CA 1.383 64.174 63.100 -0.514 0.000 0.828 77 P CB 0.141 31.262 31.700 -0.965 0.000 0.788 78 Y N -7.276 112.985 120.300 -0.064 0.000 2.779 78 Y HA 0.580 5.131 4.550 0.001 0.000 0.340 78 Y C -3.299 172.440 175.900 -0.269 0.000 1.252 78 Y CA -3.931 54.089 58.100 -0.134 0.000 1.072 78 Y CB -0.844 37.557 38.460 -0.099 0.000 1.343 78 Y HN -0.401 nan 8.280 nan 0.000 0.450 79 P HA 0.260 nan 4.420 nan 0.000 0.265 79 P C -0.837 176.423 177.300 -0.066 0.000 1.193 79 P CA 0.576 63.443 63.100 -0.388 0.000 0.765 79 P CB 0.375 31.640 31.700 -0.726 0.000 0.823 80 M N 2.201 121.763 119.600 -0.063 0.000 2.619 80 M HA 0.492 4.973 4.480 0.001 0.000 0.297 80 M C -0.178 176.199 176.300 0.127 0.000 1.229 80 M CA -0.684 54.657 55.300 0.069 0.000 0.860 80 M CB 2.960 35.572 32.600 0.019 0.000 1.741 80 M HN 0.103 nan 8.290 nan 0.000 0.462 81 K N 1.199 121.751 120.400 0.253 0.000 2.422 81 K HA 0.496 4.816 4.320 0.001 0.000 0.251 81 K C -1.194 175.590 176.600 0.307 0.000 0.933 81 K CA -0.803 55.653 56.287 0.283 0.000 0.798 81 K CB 2.368 34.991 32.500 0.206 0.000 1.238 81 K HN 0.749 nan 8.250 nan 0.000 0.428 82 R N 3.609 124.229 120.500 0.199 0.000 2.351 82 R HA 0.041 4.381 4.340 0.001 0.000 0.318 82 R C 0.424 176.727 176.300 0.005 0.000 1.055 82 R CA 0.337 56.330 56.100 -0.178 0.000 0.968 82 R CB 0.527 30.730 30.300 -0.162 0.000 0.974 82 R HN 0.687 nan 8.270 nan 0.000 0.439 83 K N 1.394 121.750 120.400 -0.074 0.000 2.074 83 K HA -0.171 4.149 4.320 0.001 0.000 0.209 83 K C 1.572 178.186 176.600 0.024 0.000 1.048 83 K CA 2.145 58.430 56.287 -0.004 0.000 0.926 83 K CB -0.002 32.482 32.500 -0.027 0.000 0.713 83 K HN 0.683 nan 8.250 nan 0.000 0.444 84 S N 0.323 116.032 115.700 0.015 0.000 2.607 84 S HA -0.029 4.441 4.470 0.001 0.000 0.224 84 S C 0.272 174.945 174.600 0.122 0.000 0.969 84 S CA -0.291 57.937 58.200 0.045 0.000 0.927 84 S CB -0.372 62.843 63.200 0.025 0.000 0.772 84 S HN 0.227 nan 8.310 nan 0.000 0.533 85 F N 2.984 122.937 119.950 0.006 0.000 2.385 85 F HA 0.566 5.093 4.527 0.001 0.000 0.360 85 F C -0.684 175.145 175.800 0.048 0.000 1.122 85 F CA -1.454 56.576 58.000 0.050 0.000 1.090 85 F CB 1.049 40.104 39.000 0.092 0.000 1.150 85 F HN -0.030 nan 8.300 nan 0.000 0.472 86 D N 8.747 128.789 120.400 -0.597 0.000 2.462 86 D HA 0.385 5.025 4.640 0.001 0.000 0.245 86 D C -2.157 173.695 176.300 -0.747 0.000 1.122 86 D CA -2.580 51.092 54.000 -0.546 0.000 0.864 86 D CB 2.129 42.787 40.800 -0.238 0.000 1.098 86 D HN 0.212 nan 8.370 nan 0.000 0.541 87 P HA -0.097 nan 4.420 nan 0.000 0.216 87 P C 0.013 177.159 177.300 -0.256 0.000 1.150 87 P CA 1.207 63.983 63.100 -0.540 0.000 0.843 87 P CB 0.241 31.757 31.700 -0.307 0.000 0.787 88 N N -1.924 116.655 118.700 -0.202 0.000 2.230 88 N HA 0.228 4.968 4.740 0.001 0.000 0.202 88 N C 0.889 176.342 175.510 -0.094 0.000 1.119 88 N CA 0.221 53.204 53.050 -0.111 0.000 0.851 88 N CB 0.505 38.944 38.487 -0.079 0.000 0.990 88 N HN 0.139 nan 8.380 nan 0.000 0.497 89 G N -0.466 108.258 108.800 -0.127 0.000 3.265 89 G HA2 0.182 4.143 3.960 0.001 0.000 0.171 89 G HA3 0.182 4.143 3.960 0.001 0.000 0.171 89 G C -1.064 173.791 174.900 -0.075 0.000 1.110 89 G CA -0.438 44.612 45.100 -0.084 0.000 0.855 89 G HN -0.096 nan 8.290 nan 0.000 0.658 90 E N 1.124 121.289 120.200 -0.057 0.000 2.217 90 E HA 0.233 4.583 4.350 0.001 0.000 0.279 90 E C 0.915 177.498 176.600 -0.029 0.000 1.068 90 E CA -0.136 56.251 56.400 -0.021 0.000 0.882 90 E CB 1.652 31.350 29.700 -0.003 0.000 1.039 90 E HN 0.406 nan 8.360 nan 0.000 0.418 91 R N 2.084 122.603 120.500 0.031 0.000 2.240 91 R HA 0.027 4.368 4.340 0.001 0.000 0.203 91 R C -0.124 176.324 176.300 0.246 0.000 1.011 91 R CA -0.181 56.008 56.100 0.149 0.000 1.007 91 R CB 0.052 30.517 30.300 0.274 0.000 0.911 91 R HN 0.451 nan 8.270 nan 0.000 0.468 92 N N 0.877 119.663 118.700 0.144 0.000 2.669 92 N HA -0.124 4.616 4.740 0.001 0.000 0.266 92 N C -2.212 173.391 175.510 0.156 0.000 1.024 92 N CA 0.400 53.526 53.050 0.125 0.000 0.766 92 N CB -0.530 38.016 38.487 0.098 0.000 0.898 92 N HN 0.204 nan 8.380 nan 0.000 0.548 93 P HA -0.194 nan 4.420 nan 0.000 0.216 93 P C 1.752 179.138 177.300 0.143 0.000 1.150 93 P CA 1.170 64.370 63.100 0.167 0.000 0.837 93 P CB 0.138 31.925 31.700 0.146 0.000 0.786 94 Q N 0.046 119.911 119.800 0.108 0.000 2.439 94 Q HA -0.116 4.224 4.340 0.001 0.000 0.211 94 Q C 1.433 177.492 176.000 0.098 0.000 0.978 94 Q CA 1.412 57.273 55.803 0.096 0.000 0.897 94 Q CB -1.179 27.598 28.738 0.066 0.000 0.956 94 Q HN 0.336 nan 8.270 nan 0.000 0.483 95 L N 0.696 121.974 121.223 0.091 0.000 2.607 95 L HA 0.245 4.586 4.340 0.001 0.000 0.228 95 L C 0.615 177.514 176.870 0.049 0.000 1.123 95 L CA -0.300 54.576 54.840 0.061 0.000 0.890 95 L CB 0.174 42.258 42.059 0.041 0.000 1.103 95 L HN -0.014 nan 8.230 nan 0.000 0.468 96 R N 0.602 121.165 120.500 0.104 0.000 2.449 96 R HA 0.230 4.570 4.340 0.001 0.000 0.296 96 R C 1.157 177.504 176.300 0.078 0.000 1.047 96 R CA 0.740 56.903 56.100 0.106 0.000 1.018 96 R CB 0.308 30.744 30.300 0.227 0.000 0.962 96 R HN 0.283 nan 8.270 nan 0.000 0.428 97 G N 1.737 110.430 108.800 -0.179 0.000 2.159 97 G HA2 -0.388 3.572 3.960 0.001 0.000 0.256 97 G HA3 -0.388 3.572 3.960 0.001 0.000 0.256 97 G C 0.943 175.705 174.900 -0.230 0.000 0.977 97 G CA 0.362 45.154 45.100 -0.512 0.000 0.652 97 G HN 0.729 nan 8.290 nan 0.000 0.531 98 A N 0.162 122.917 122.820 -0.109 0.000 1.940 98 A HA 0.262 4.582 4.320 0.001 0.000 0.219 98 A C 2.783 180.325 177.584 -0.070 0.000 1.176 98 A CA 2.347 54.350 52.037 -0.055 0.000 0.631 98 A CB -0.940 18.041 19.000 -0.032 0.000 0.814 98 A HN 1.623 nan 8.150 nan 0.000 0.446 99 G N -0.503 108.241 108.800 -0.094 0.000 2.418 99 G HA2 -0.113 3.848 3.960 0.001 0.000 0.217 99 G HA3 -0.113 3.848 3.960 0.001 0.000 0.217 99 G C 1.436 176.295 174.900 -0.069 0.000 1.158 99 G CA 1.118 46.187 45.100 -0.052 0.000 0.771 99 G HN 0.392 nan 8.290 nan 0.000 0.545 100 L N 1.297 122.428 121.223 -0.154 0.000 2.046 100 L HA 0.020 4.360 4.340 0.001 0.000 0.208 100 L C 2.893 179.689 176.870 -0.124 0.000 1.077 100 L CA 1.844 56.571 54.840 -0.189 0.000 0.747 100 L CB -0.606 41.245 42.059 -0.346 0.000 0.896 100 L HN 0.165 nan 8.230 nan 0.000 0.432 101 S N -0.431 115.219 115.700 -0.084 0.000 2.500 101 S HA -0.140 4.331 4.470 0.001 0.000 0.239 101 S C 1.284 175.873 174.600 -0.019 0.000 0.989 101 S CA 1.246 59.431 58.200 -0.025 0.000 0.951 101 S CB -0.323 62.884 63.200 0.012 0.000 0.759 101 S HN 0.618 nan 8.310 nan 0.000 0.523 102 K N 0.154 120.539 120.400 -0.025 0.000 2.564 102 K HA 0.350 4.670 4.320 0.001 0.000 0.205 102 K C -0.549 176.047 176.600 -0.007 0.000 1.053 102 K CA -0.280 56.002 56.287 -0.008 0.000 1.072 102 K CB 0.265 32.765 32.500 0.000 0.000 0.822 102 K HN -0.152 nan 8.250 nan 0.000 0.497 103 Q N 1.299 121.083 119.800 -0.027 0.000 2.475 103 Q HA -0.195 4.145 4.340 0.001 0.000 0.280 103 Q C -1.007 175.006 176.000 0.022 0.000 1.234 103 Q CA 1.507 57.297 55.803 -0.022 0.000 0.873 103 Q CB -1.711 27.017 28.738 -0.016 0.000 1.256 103 Q HN 0.621 nan 8.270 nan 0.000 0.475 104 D N -2.301 118.119 120.400 0.034 0.000 2.978 104 D HA 0.234 4.875 4.640 0.001 0.000 0.268 104 D C -2.150 174.225 176.300 0.124 0.000 1.252 104 D CA -1.696 52.363 54.000 0.098 0.000 0.771 104 D CB 0.881 41.731 40.800 0.083 0.000 1.361 104 D HN -0.115 nan 8.370 nan 0.000 0.558 105 P HA -0.113 nan 4.420 nan 0.000 0.214 105 P C 1.289 178.792 177.300 0.338 0.000 1.163 105 P CA 1.218 64.400 63.100 0.137 0.000 0.889 105 P CB 0.063 31.773 31.700 0.016 0.000 0.790 106 W N 0.438 121.917 121.300 0.299 0.000 2.350 106 W HA -0.147 4.514 4.660 0.001 0.000 0.289 106 W C 2.634 179.224 176.519 0.119 0.000 1.215 106 W CA 1.706 59.107 57.345 0.093 0.000 1.236 106 W CB -1.511 27.900 29.460 -0.081 0.000 1.130 106 W HN 0.006 nan 8.180 nan 0.000 0.541 107 S N -0.743 115.137 115.700 0.301 0.000 2.500 107 S HA -0.183 4.287 4.470 0.001 0.000 0.239 107 S C 1.262 175.911 174.600 0.082 0.000 0.989 107 S CA 1.538 59.835 58.200 0.162 0.000 0.951 107 S CB -0.345 62.919 63.200 0.106 0.000 0.759 107 S HN 0.146 nan 8.310 nan 0.000 0.523 108 D N 0.082 120.513 120.400 0.052 0.000 2.323 108 D HA 0.196 4.836 4.640 0.001 0.000 0.209 108 D C -0.408 175.633 176.300 -0.431 0.000 0.973 108 D CA 0.506 54.369 54.000 -0.228 0.000 0.874 108 D CB 0.093 40.645 40.800 -0.413 0.000 0.930 108 D HN 0.517 nan 8.370 nan 0.000 0.521 109 Y N 0.394 120.740 120.300 0.077 0.000 2.487 109 Y HA 0.362 4.913 4.550 0.001 0.000 0.337 109 Y C 0.552 176.500 175.900 0.080 0.000 1.076 109 Y CA -1.152 56.992 58.100 0.073 0.000 1.115 109 Y CB 1.294 39.786 38.460 0.054 0.000 1.235 109 Y HN -0.227 nan 8.280 nan 0.000 0.468 110 E N 1.157 121.493 120.200 0.226 0.000 2.312 110 E HA 0.519 4.869 4.350 0.001 0.000 0.267 110 E C -1.203 175.473 176.600 0.127 0.000 0.894 110 E CA -1.374 55.108 56.400 0.137 0.000 0.773 110 E CB 2.275 32.018 29.700 0.071 0.000 1.241 110 E HN 0.613 nan 8.360 nan 0.000 0.432 111 R N 2.137 122.652 120.500 0.025 0.000 2.490 111 R HA 0.442 4.782 4.340 0.001 0.000 0.280 111 R C -0.221 176.010 176.300 -0.115 0.000 1.077 111 R CA -0.204 55.821 56.100 -0.125 0.000 1.065 111 R CB 0.436 30.413 30.300 -0.538 0.000 1.003 111 R HN 0.693 nan 8.270 nan 0.000 0.470 112 I N -0.560 119.937 120.570 -0.122 0.000 3.006 112 I HA 0.414 4.585 4.170 0.001 0.000 0.306 112 I C -0.478 175.557 176.117 -0.137 0.000 1.250 112 I CA -1.160 60.083 61.300 -0.095 0.000 0.996 112 I CB 2.268 40.246 38.000 -0.035 0.000 1.261 112 I HN 0.703 nan 8.210 nan 0.000 0.442 113 S N 1.626 117.274 115.700 -0.086 0.000 2.614 113 S HA 0.257 4.728 4.470 0.001 0.000 0.265 113 S C 0.290 174.857 174.600 -0.055 0.000 1.303 113 S CA -0.306 57.863 58.200 -0.052 0.000 1.000 113 S CB 0.749 63.959 63.200 0.016 0.000 0.935 113 S HN 0.876 nan 8.310 nan 0.000 0.551 114 W N 0.498 121.789 121.300 -0.015 0.000 2.363 114 W HA -0.038 4.623 4.660 0.001 0.000 0.296 114 W C 2.221 178.702 176.519 -0.065 0.000 1.212 114 W CA 1.419 58.739 57.345 -0.041 0.000 1.260 114 W CB -0.355 29.075 29.460 -0.050 0.000 1.131 114 W HN 0.901 nan 8.180 nan 0.000 0.530 115 D N 0.048 120.561 120.400 0.188 0.000 2.097 115 D HA -0.252 4.389 4.640 0.001 0.000 0.195 115 D C 1.933 178.270 176.300 0.062 0.000 0.989 115 D CA 1.814 55.872 54.000 0.096 0.000 0.827 115 D CB -0.198 40.645 40.800 0.073 0.000 0.966 115 D HN 0.252 nan 8.370 nan 0.000 0.456 116 E N -0.568 119.660 120.200 0.047 0.000 2.107 116 E HA -0.119 4.232 4.350 0.001 0.000 0.191 116 E C 1.974 178.603 176.600 0.048 0.000 0.982 116 E CA 0.894 57.317 56.400 0.038 0.000 0.809 116 E CB -0.164 29.550 29.700 0.023 0.000 0.756 116 E HN 0.278 nan 8.360 nan 0.000 0.459 117 A N 0.706 123.540 122.820 0.024 0.000 1.877 117 A HA -0.210 4.110 4.320 0.001 0.000 0.216 117 A C 2.486 180.129 177.584 0.098 0.000 1.186 117 A CA 2.448 54.504 52.037 0.033 0.000 0.620 117 A CB -1.309 17.631 19.000 -0.100 0.000 0.822 117 A HN 0.531 nan 8.150 nan 0.000 0.443 118 T N -2.678 111.908 114.554 0.053 0.000 2.904 118 T HA -0.108 4.242 4.350 0.001 0.000 0.267 118 T C 1.335 176.111 174.700 0.127 0.000 1.059 118 T CA 1.431 63.524 62.100 -0.011 0.000 1.137 118 T CB -0.379 68.264 68.868 -0.376 0.000 0.879 118 T HN 0.326 nan 8.240 nan 0.000 0.467 119 D N 1.309 121.763 120.400 0.089 0.000 2.117 119 D HA 0.073 4.713 4.640 0.001 0.000 0.198 119 D C 2.054 178.416 176.300 0.104 0.000 0.982 119 D CA 0.662 54.718 54.000 0.095 0.000 0.828 119 D CB -0.268 40.570 40.800 0.063 0.000 0.967 119 D HN 0.430 nan 8.370 nan 0.000 0.464 120 I N 0.278 120.910 120.570 0.104 0.000 2.179 120 I HA -0.223 3.948 4.170 0.001 0.000 0.242 120 I C 2.379 178.527 176.117 0.051 0.000 1.088 120 I CA 0.603 61.948 61.300 0.075 0.000 1.357 120 I CB -0.136 37.944 38.000 0.132 0.000 1.051 120 I HN -0.108 nan 8.210 nan 0.000 0.409 121 V N 0.427 120.464 119.914 0.206 0.000 2.295 121 V HA -0.236 3.885 4.120 0.001 0.000 0.246 121 V C 2.448 178.676 176.094 0.223 0.000 1.049 121 V CA 1.537 64.000 62.300 0.271 0.000 1.024 121 V CB -0.438 31.597 31.823 0.353 0.000 0.648 121 V HN 0.234 nan 8.190 nan 0.000 0.447 122 V N 0.379 120.476 119.914 0.305 0.000 2.332 122 V HA -0.275 3.846 4.120 0.001 0.000 0.248 122 V C 2.711 178.891 176.094 0.143 0.000 1.055 122 V CA 2.035 64.493 62.300 0.264 0.000 1.038 122 V CB -1.161 30.829 31.823 0.278 0.000 0.651 122 V HN 0.567 nan 8.190 nan 0.000 0.450 123 A N -0.621 122.251 122.820 0.088 0.000 1.933 123 A HA -0.198 4.122 4.320 0.001 0.000 0.218 123 A C 2.225 179.819 177.584 0.017 0.000 1.175 123 A CA 1.642 53.704 52.037 0.041 0.000 0.628 123 A CB -0.375 18.632 19.000 0.012 0.000 0.814 123 A HN 0.516 nan 8.150 nan 0.000 0.444 124 E N 0.045 120.221 120.200 -0.040 0.000 2.047 124 E HA -0.131 4.219 4.350 0.001 0.000 0.191 124 E C 2.036 178.696 176.600 0.100 0.000 0.987 124 E CA 1.030 57.400 56.400 -0.050 0.000 0.799 124 E CB -0.477 29.034 29.700 -0.316 0.000 0.752 124 E HN 0.711 nan 8.360 nan 0.000 0.449 125 I N 1.921 122.578 120.570 0.146 0.000 2.091 125 I HA -0.339 3.831 4.170 0.001 0.000 0.239 125 I C 1.982 178.171 176.117 0.121 0.000 1.061 125 I CA 1.265 62.675 61.300 0.183 0.000 1.317 125 I CB -0.423 37.703 38.000 0.209 0.000 1.031 125 I HN 0.064 nan 8.210 nan 0.000 0.401 126 N N 0.524 119.269 118.700 0.074 0.000 2.166 126 N HA -0.200 4.540 4.740 0.001 0.000 0.186 126 N C 1.842 177.356 175.510 0.006 0.000 1.019 126 N CA 1.096 54.140 53.050 -0.010 0.000 0.856 126 N CB -0.525 37.951 38.487 -0.017 0.000 0.993 126 N HN 0.368 nan 8.380 nan 0.000 0.426 127 R N 0.989 121.529 120.500 0.067 0.000 2.073 127 R HA 0.015 4.355 4.340 0.001 0.000 0.234 127 R C 2.115 178.495 176.300 0.134 0.000 1.134 127 R CA 1.008 57.165 56.100 0.096 0.000 0.952 127 R CB -0.266 30.088 30.300 0.089 0.000 0.850 127 R HN 0.153 nan 8.270 nan 0.000 0.433 128 I N 0.864 121.546 120.570 0.186 0.000 2.252 128 I HA -0.249 3.921 4.170 0.001 0.000 0.245 128 I C 2.257 178.526 176.117 0.254 0.000 1.102 128 I CA 1.385 62.865 61.300 0.300 0.000 1.385 128 I CB -0.184 38.009 38.000 0.323 0.000 1.064 128 I HN 0.210 nan 8.210 nan 0.000 0.414 129 K N -0.223 120.276 120.400 0.166 0.000 2.097 129 K HA -0.185 4.136 4.320 0.001 0.000 0.206 129 K C 1.963 178.657 176.600 0.156 0.000 1.049 129 K CA 1.419 57.785 56.287 0.132 0.000 0.933 129 K CB -0.250 32.273 32.500 0.038 0.000 0.717 129 K HN 0.489 nan 8.250 nan 0.000 0.442 130 H N -1.181 117.921 119.070 0.054 0.000 2.529 130 H HA 0.070 4.626 4.556 0.001 0.000 0.277 130 H C 1.721 177.011 175.328 -0.063 0.000 0.999 130 H CA 0.378 56.431 56.048 0.007 0.000 1.256 130 H CB 0.432 30.198 29.762 0.008 0.000 1.402 130 H HN 0.238 nan 8.280 nan 0.000 0.566 131 A N -0.321 122.489 122.820 -0.016 0.000 2.014 131 A HA 0.024 4.344 4.320 0.001 0.000 0.210 131 A C 0.938 178.182 177.584 -0.567 0.000 1.188 131 A CA 0.480 52.297 52.037 -0.367 0.000 0.731 131 A CB 0.147 18.793 19.000 -0.589 0.000 0.858 131 A HN 0.313 nan 8.150 nan 0.000 0.464 132 Y N -1.373 119.002 120.300 0.126 0.000 2.441 132 Y HA 0.455 5.005 4.550 0.001 0.000 0.266 132 Y C 1.183 177.163 175.900 0.133 0.000 1.093 132 Y CA -0.127 58.045 58.100 0.121 0.000 1.246 132 Y CB 0.450 38.988 38.460 0.129 0.000 1.262 132 Y HN 0.505 nan 8.280 nan 0.000 0.518 133 G N 0.564 109.524 108.800 0.266 0.000 2.619 133 G HA2 -0.129 3.832 3.960 0.001 0.000 0.686 133 G HA3 -0.129 3.832 3.960 0.001 0.000 0.686 133 G C -2.406 172.635 174.900 0.235 0.000 1.256 133 G CA -0.692 44.543 45.100 0.224 0.000 0.826 133 G HN -0.093 nan 8.290 nan 0.000 0.619 134 P HA -0.103 nan 4.420 nan 0.000 0.217 134 P C 2.186 179.607 177.300 0.201 0.000 1.148 134 P CA 2.384 65.597 63.100 0.187 0.000 0.828 134 P CB -0.018 31.771 31.700 0.148 0.000 0.783 135 S N -0.563 115.265 115.700 0.214 0.000 2.442 135 S HA -0.081 4.390 4.470 0.001 0.000 0.236 135 S C 1.961 176.677 174.600 0.194 0.000 1.007 135 S CA 0.994 59.297 58.200 0.172 0.000 0.965 135 S CB -1.277 62.072 63.200 0.249 0.000 0.773 135 S HN 0.134 nan 8.310 nan 0.000 0.504 136 A N 0.883 123.840 122.820 0.227 0.000 2.209 136 A HA 0.387 4.708 4.320 0.001 0.000 0.212 136 A C 0.909 178.619 177.584 0.210 0.000 1.158 136 A CA 0.156 52.314 52.037 0.201 0.000 0.742 136 A CB -0.522 18.611 19.000 0.222 0.000 0.790 136 A HN 0.627 nan 8.150 nan 0.000 0.472 137 I N 1.235 121.954 120.570 0.249 0.000 2.307 137 I HA 0.236 4.407 4.170 0.001 0.000 0.287 137 I C -0.404 175.911 176.117 0.332 0.000 1.054 137 I CA -0.594 60.890 61.300 0.308 0.000 1.218 137 I CB 1.110 39.317 38.000 0.344 0.000 1.398 137 I HN 0.170 nan 8.210 nan 0.000 0.475 138 L N 6.464 127.861 121.223 0.291 0.000 2.375 138 L HA 0.596 4.936 4.340 0.001 0.000 0.271 138 L C -0.028 177.166 176.870 0.540 0.000 1.107 138 L CA 0.712 55.703 54.840 0.251 0.000 0.806 138 L CB 1.503 43.489 42.059 -0.122 0.000 1.146 138 L HN 0.595 nan 8.230 nan 0.000 0.447 139 S N 2.383 118.456 115.700 0.621 0.000 2.547 139 S HA 0.761 5.231 4.470 0.001 0.000 0.270 139 S C -1.145 173.909 174.600 0.756 0.000 1.150 139 S CA -0.225 58.423 58.200 0.747 0.000 0.850 139 S CB 1.402 64.920 63.200 0.530 0.000 1.118 139 S HN 1.000 nan 8.310 nan 0.000 0.461 140 T N 4.043 118.989 114.554 0.653 0.000 3.486 140 T HA 0.541 4.891 4.350 0.001 0.000 0.375 140 T C -2.984 171.865 174.700 0.248 0.000 1.459 140 T CA -0.764 61.617 62.100 0.469 0.000 1.151 140 T CB 1.667 70.765 68.868 0.384 0.000 1.336 140 T HN 0.451 nan 8.240 nan 0.000 0.477 141 P HA 0.637 nan 4.420 nan 0.000 0.341 141 P C -0.384 176.985 177.300 0.115 0.000 1.349 141 P CA -0.277 62.781 63.100 -0.070 0.000 0.830 141 P CB 0.983 32.276 31.700 -0.678 0.000 1.986 142 S N -2.717 113.034 115.700 0.085 0.000 2.794 142 S HA 0.352 4.822 4.470 0.001 0.000 0.299 142 S C 1.409 175.981 174.600 -0.047 0.000 1.179 142 S CA -0.331 57.862 58.200 -0.011 0.000 0.838 142 S CB 0.593 63.790 63.200 -0.006 0.000 1.206 142 S HN 0.262 nan 8.310 nan 0.000 0.523 143 S N 1.006 116.573 115.700 -0.222 0.000 2.374 143 S HA -0.052 4.419 4.470 0.001 0.000 0.227 143 S C 0.529 174.977 174.600 -0.253 0.000 1.037 143 S CA 1.288 59.403 58.200 -0.142 0.000 1.024 143 S CB -0.407 62.711 63.200 -0.136 0.000 0.861 143 S HN 0.614 nan 8.310 nan 0.000 0.456 144 H N -0.568 118.613 119.070 0.185 0.000 2.676 144 H HA 0.561 5.118 4.556 0.001 0.000 0.352 144 H C -0.233 175.226 175.328 0.219 0.000 1.193 144 H CA -0.347 55.879 56.048 0.296 0.000 1.243 144 H CB 1.375 31.347 29.762 0.350 0.000 1.751 144 H HN 0.233 nan 8.280 nan 0.000 0.567 145 H N 0.796 119.957 119.070 0.152 0.000 3.014 145 H HA 0.109 4.665 4.556 0.001 0.000 0.337 145 H C -0.605 174.782 175.328 0.098 0.000 1.320 145 H CA -0.663 55.339 56.048 -0.077 0.000 1.128 145 H CB 1.651 30.980 29.762 -0.722 0.000 1.862 145 H HN 0.389 nan 8.280 nan 0.000 0.536 146 M N 1.641 121.249 119.600 0.013 0.000 2.250 146 M HA -0.114 4.366 4.480 0.001 0.000 0.337 146 M C 0.755 177.348 176.300 0.489 0.000 1.161 146 M CA 0.516 55.969 55.300 0.255 0.000 1.088 146 M CB -0.306 32.368 32.600 0.124 0.000 1.639 146 M HN 0.421 nan 8.290 nan 0.000 0.447 147 W N 2.249 123.671 121.300 0.203 0.000 2.170 147 W HA 0.352 5.012 4.660 0.001 0.000 0.342 147 W C 0.259 176.898 176.519 0.199 0.000 1.294 147 W CA 0.624 58.091 57.345 0.204 0.000 1.246 147 W CB 1.008 30.516 29.460 0.081 0.000 1.156 147 W HN 0.764 nan 8.180 nan 0.000 0.572 148 G N 3.649 112.345 108.800 -0.174 0.000 2.693 148 G HA2 -0.206 3.754 3.960 0.001 0.000 0.290 148 G HA3 -0.206 3.754 3.960 0.001 0.000 0.290 148 G C -0.142 174.689 174.900 -0.116 0.000 1.378 148 G CA -0.681 44.368 45.100 -0.085 0.000 1.120 148 G HN 0.508 nan 8.290 nan 0.000 0.609 149 N N 0.473 119.030 118.700 -0.239 0.000 2.120 149 N HA -0.095 4.645 4.740 0.001 0.000 0.188 149 N C 2.553 177.950 175.510 -0.189 0.000 1.024 149 N CA 1.590 54.486 53.050 -0.257 0.000 0.852 149 N CB -0.021 38.246 38.487 -0.368 0.000 1.003 149 N HN 0.452 nan 8.380 nan 0.000 0.424 150 V N -0.017 119.745 119.914 -0.253 0.000 2.358 150 V HA -0.067 4.054 4.120 0.001 0.000 0.246 150 V C 2.093 178.182 176.094 -0.009 0.000 1.047 150 V CA 1.954 64.158 62.300 -0.159 0.000 1.035 150 V CB -0.972 30.756 31.823 -0.157 0.000 0.658 150 V HN 0.413 nan 8.190 nan 0.000 0.452 151 G N -2.486 106.349 108.800 0.058 0.000 2.985 151 G HA2 -0.066 3.894 3.960 0.001 0.000 0.209 151 G HA3 -0.066 3.894 3.960 0.001 0.000 0.209 151 G C 0.429 175.386 174.900 0.096 0.000 1.165 151 G CA -0.231 44.964 45.100 0.158 0.000 0.776 151 G HN 0.430 nan 8.290 nan 0.000 0.541 152 Y N 1.635 121.837 120.300 -0.164 0.000 2.511 152 Y HA 0.059 4.610 4.550 0.001 0.000 0.347 152 Y C 2.387 178.026 175.900 -0.435 0.000 1.257 152 Y CA 0.073 57.879 58.100 -0.489 0.000 1.469 152 Y CB 0.788 39.061 38.460 -0.311 0.000 1.353 152 Y HN 0.221 nan 8.280 nan 0.000 0.617 153 R N 0.711 120.726 120.500 -0.808 0.000 2.159 153 R HA -0.207 4.134 4.340 0.001 0.000 0.237 153 R C 0.960 176.993 176.300 -0.445 0.000 1.131 153 R CA 2.230 57.966 56.100 -0.607 0.000 0.982 153 R CB -0.718 29.079 30.300 -0.839 0.000 0.868 153 R HN 0.755 nan 8.270 nan 0.000 0.453 154 H N 0.037 119.053 119.070 -0.090 0.000 2.524 154 H HA 0.088 4.644 4.556 0.001 0.000 0.282 154 H C 1.904 177.344 175.328 0.188 0.000 1.016 154 H CA 1.293 57.370 56.048 0.049 0.000 1.270 154 H CB 0.331 30.261 29.762 0.279 0.000 1.394 154 H HN 0.286 nan 8.280 nan 0.000 0.568 155 S N -1.206 114.635 115.700 0.234 0.000 2.612 155 S HA -0.037 4.433 4.470 0.001 0.000 0.193 155 S C 2.103 176.796 174.600 0.156 0.000 0.898 155 S CA 0.794 59.111 58.200 0.195 0.000 0.872 155 S CB -0.351 62.934 63.200 0.143 0.000 0.843 155 S HN 0.328 nan 8.310 nan 0.000 0.611 156 T N 1.111 115.765 114.554 0.167 0.000 2.701 156 T HA -0.055 4.295 4.350 0.001 0.000 0.263 156 T C 1.570 176.420 174.700 0.249 0.000 1.040 156 T CA 1.766 64.046 62.100 0.300 0.000 1.147 156 T CB -0.692 68.443 68.868 0.445 0.000 0.865 156 T HN 0.515 nan 8.240 nan 0.000 0.426 157 Y N 0.999 121.291 120.300 -0.014 0.000 2.081 157 Y HA -0.196 4.354 4.550 0.001 0.000 0.280 157 Y C 1.993 177.721 175.900 -0.286 0.000 1.163 157 Y CA 1.378 59.312 58.100 -0.277 0.000 1.135 157 Y CB -0.692 37.409 38.460 -0.598 0.000 0.970 157 Y HN 0.267 nan 8.280 nan 0.000 0.498 158 F N -0.140 119.733 119.950 -0.129 0.000 2.134 158 F HA -0.228 4.299 4.527 0.001 0.000 0.299 158 F C 2.820 178.483 175.800 -0.228 0.000 1.097 158 F CA 1.099 58.953 58.000 -0.243 0.000 1.264 158 F CB -0.338 38.619 39.000 -0.071 0.000 1.001 158 F HN -0.015 nan 8.300 nan 0.000 0.479 159 R N 0.111 120.687 120.500 0.127 0.000 2.103 159 R HA -0.250 4.090 4.340 0.001 0.000 0.242 159 R C 2.218 178.588 176.300 0.117 0.000 1.142 159 R CA 2.019 58.197 56.100 0.130 0.000 0.960 159 R CB -0.571 29.833 30.300 0.173 0.000 0.858 159 R HN 0.323 nan 8.270 nan 0.000 0.439 160 F N 0.457 120.313 119.950 -0.157 0.000 2.118 160 F HA -0.131 4.396 4.527 0.001 0.000 0.293 160 F C 2.128 177.536 175.800 -0.652 0.000 1.102 160 F CA 1.174 58.853 58.000 -0.535 0.000 1.247 160 F CB -0.152 38.102 39.000 -1.244 0.000 1.017 160 F HN -0.068 nan 8.300 nan 0.000 0.475 161 M N 0.845 119.887 119.600 -0.930 0.000 2.108 161 M HA -0.263 4.218 4.480 0.001 0.000 0.261 161 M C 1.800 177.649 176.300 -0.752 0.000 1.066 161 M CA 1.681 56.267 55.300 -1.189 0.000 1.107 161 M CB -1.915 29.589 32.600 -1.826 0.000 1.356 161 M HN 0.355 nan 8.290 nan 0.000 0.406 162 N N -0.389 118.068 118.700 -0.405 0.000 2.289 162 N HA -0.104 4.636 4.740 0.001 0.000 0.184 162 N C 1.570 176.979 175.510 -0.168 0.000 1.016 162 N CA 0.877 53.854 53.050 -0.122 0.000 0.872 162 N CB -0.080 38.342 38.487 -0.108 0.000 0.973 162 N HN 0.354 nan 8.380 nan 0.000 0.433 163 M N -0.344 119.072 119.600 -0.306 0.000 2.556 163 M HA 0.100 4.581 4.480 0.001 0.000 0.245 163 M C 1.673 177.759 176.300 -0.356 0.000 1.128 163 M CA 0.414 55.551 55.300 -0.271 0.000 1.069 163 M CB 0.385 32.843 32.600 -0.236 0.000 1.469 163 M HN 0.241 nan 8.290 nan 0.000 0.494 164 M N -1.039 118.260 119.600 -0.501 0.000 3.058 164 M HA 0.256 4.736 4.480 0.001 0.000 0.242 164 M C 1.084 177.299 176.300 -0.141 0.000 1.512 164 M CA 1.146 56.191 55.300 -0.426 0.000 1.274 164 M CB -0.146 31.975 32.600 -0.797 0.000 1.179 164 M HN 0.139 nan 8.290 nan 0.000 0.573 165 G N -0.138 108.633 108.800 -0.048 0.000 3.341 165 G HA2 0.582 4.543 3.960 0.001 0.000 0.177 165 G HA3 0.582 4.543 3.960 0.001 0.000 0.177 165 G C -0.914 174.162 174.900 0.294 0.000 1.236 165 G CA -0.091 45.132 45.100 0.204 0.000 0.888 165 G HN 0.541 nan 8.290 nan 0.000 0.644 166 F N -3.095 116.833 119.950 -0.036 0.000 2.890 166 F HA 0.555 5.082 4.527 0.001 0.000 0.326 166 F C -1.197 174.631 175.800 0.047 0.000 1.143 166 F CA -1.139 56.874 58.000 0.022 0.000 0.906 166 F CB 1.111 40.109 39.000 -0.003 0.000 1.303 166 F HN 0.399 nan 8.300 nan 0.000 0.447 167 T N 2.425 116.964 114.554 -0.024 0.000 2.733 167 T HA 0.266 4.616 4.350 0.001 0.000 0.294 167 T C -1.346 173.344 174.700 -0.018 0.000 0.956 167 T CA -0.133 61.887 62.100 -0.134 0.000 0.987 167 T CB 0.102 68.973 68.868 0.005 0.000 0.920 167 T HN 0.534 nan 8.240 nan 0.000 0.470 168 Y N 2.973 123.056 120.300 -0.362 0.000 2.304 168 Y HA 0.501 5.051 4.550 0.001 0.000 0.328 168 Y C 0.142 176.072 175.900 0.050 0.000 1.123 168 Y CA -1.978 56.104 58.100 -0.031 0.000 1.218 168 Y CB 0.664 39.058 38.460 -0.111 0.000 1.207 168 Y HN 0.655 nan 8.280 nan 0.000 0.495 169 A N 5.879 128.559 122.820 -0.233 0.000 2.910 169 A HA 0.185 4.506 4.320 0.001 0.000 0.316 169 A C -0.234 176.976 177.584 -0.622 0.000 1.493 169 A CA -0.616 51.246 52.037 -0.291 0.000 1.150 169 A CB -0.840 18.092 19.000 -0.113 0.000 1.159 169 A HN 0.753 nan 8.150 nan 0.000 0.526 170 D N 1.533 121.621 120.400 -0.519 0.000 2.472 170 D HA -0.001 4.640 4.640 0.001 0.000 0.237 170 D C -0.023 176.169 176.300 -0.180 0.000 1.141 170 D CA 0.691 54.391 54.000 -0.500 0.000 0.875 170 D CB 0.399 41.148 40.800 -0.085 0.000 1.192 170 D HN 0.527 nan 8.370 nan 0.000 0.450 171 H N 2.634 121.596 119.070 -0.180 0.000 2.722 171 H HA 0.100 4.657 4.556 0.001 0.000 0.328 171 H C 0.607 176.068 175.328 0.221 0.000 1.067 171 H CA -0.469 55.576 56.048 -0.005 0.000 1.447 171 H CB 0.277 30.054 29.762 0.026 0.000 1.469 171 H HN 0.391 nan 8.280 nan 0.000 0.544 172 N N 4.280 123.191 118.700 0.352 0.000 2.453 172 N HA 0.021 4.761 4.740 0.001 0.000 0.253 172 N C -2.472 173.296 175.510 0.430 0.000 1.252 172 N CA -1.435 51.835 53.050 0.368 0.000 0.917 172 N CB 0.777 39.440 38.487 0.292 0.000 1.117 172 N HN 0.307 nan 8.380 nan 0.000 0.442 173 P HA 0.050 nan 4.420 nan 0.000 0.226 173 P C -0.145 177.276 177.300 0.202 0.000 1.783 173 P CA -0.221 62.791 63.100 -0.148 0.000 0.980 173 P CB -0.287 30.953 31.700 -0.766 0.000 1.967 174 D N 0.318 120.853 120.400 0.225 0.000 2.160 174 D HA -0.254 4.386 4.640 0.001 0.000 0.189 174 D C 1.525 177.829 176.300 0.006 0.000 1.003 174 D CA 1.819 55.891 54.000 0.120 0.000 0.846 174 D CB -1.402 39.424 40.800 0.043 0.000 0.949 174 D HN 0.119 nan 8.370 nan 0.000 0.446 175 S N -0.931 114.630 115.700 -0.232 0.000 2.383 175 S HA -0.130 4.340 4.470 0.001 0.000 0.229 175 S C 1.493 175.695 174.600 -0.663 0.000 1.030 175 S CA 1.243 58.895 58.200 -0.913 0.000 1.002 175 S CB -0.425 61.610 63.200 -1.942 0.000 0.829 175 S HN 0.476 nan 8.310 nan 0.000 0.467 176 W N 1.212 122.502 121.300 -0.017 0.000 3.177 176 W HA 0.223 4.884 4.660 0.001 0.000 0.309 176 W C 1.320 178.041 176.519 0.337 0.000 1.224 176 W CA -0.502 57.020 57.345 0.294 0.000 1.718 176 W CB -0.313 29.269 29.460 0.203 0.000 1.078 176 W HN 0.231 nan 8.180 nan 0.000 0.618 177 E N 0.909 121.386 120.200 0.461 0.000 2.504 177 E HA -0.307 4.044 4.350 0.001 0.000 0.252 177 E C 2.167 179.087 176.600 0.535 0.000 1.018 177 E CA 2.485 59.191 56.400 0.510 0.000 1.151 177 E CB -1.420 28.500 29.700 0.366 0.000 1.081 177 E HN 0.320 nan 8.360 nan 0.000 0.509 178 G N -0.215 108.781 108.800 0.326 0.000 2.469 178 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 178 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 178 G C 1.437 176.365 174.900 0.046 0.000 1.150 178 G CA 1.148 46.319 45.100 0.119 0.000 0.763 178 G HN 0.331 nan 8.290 nan 0.000 0.561 179 W N -0.550 120.888 121.300 0.229 0.000 2.418 179 W HA 0.083 4.744 4.660 0.001 0.000 0.292 179 W C 2.431 179.029 176.519 0.132 0.000 1.213 179 W CA 0.806 58.245 57.345 0.156 0.000 1.283 179 W CB -0.380 29.223 29.460 0.238 0.000 1.119 179 W HN 0.256 nan 8.180 nan 0.000 0.542 180 H N -1.230 117.992 119.070 0.253 0.000 2.307 180 H HA -0.147 4.409 4.556 0.001 0.000 0.303 180 H C 1.273 176.492 175.328 -0.182 0.000 1.073 180 H CA 2.053 58.042 56.048 -0.098 0.000 1.338 180 H CB -0.779 28.794 29.762 -0.314 0.000 1.389 180 H HN 0.199 nan 8.280 nan 0.000 0.503 181 W N 0.233 121.738 121.300 0.340 0.000 2.905 181 W HA 0.206 4.866 4.660 0.001 0.000 0.251 181 W C 2.251 178.929 176.519 0.264 0.000 1.305 181 W CA 0.548 58.066 57.345 0.288 0.000 1.465 181 W CB 0.191 29.826 29.460 0.291 0.000 1.122 181 W HN 0.292 nan 8.180 nan 0.000 0.659 182 G N -0.803 108.198 108.800 0.336 0.000 2.766 182 G HA2 0.115 4.076 3.960 0.001 0.000 0.201 182 G HA3 0.115 4.076 3.960 0.001 0.000 0.201 182 G C 1.613 176.550 174.900 0.061 0.000 1.177 182 G CA 0.371 45.598 45.100 0.213 0.000 0.773 182 G HN 0.168 nan 8.290 nan 0.000 0.648 183 G N 1.086 109.843 108.800 -0.073 0.000 2.469 183 G HA2 -0.271 3.690 3.960 0.001 0.000 0.220 183 G HA3 -0.271 3.690 3.960 0.001 0.000 0.220 183 G C 1.785 176.696 174.900 0.019 0.000 1.136 183 G CA 1.294 46.295 45.100 -0.164 0.000 0.759 183 G HN 0.341 nan 8.290 nan 0.000 0.562 184 M N -0.056 119.566 119.600 0.036 0.000 2.144 184 M HA -0.143 4.337 4.480 0.001 0.000 0.260 184 M C 2.316 178.527 176.300 -0.148 0.000 1.067 184 M CA 1.432 56.688 55.300 -0.073 0.000 1.095 184 M CB -0.284 32.087 32.600 -0.382 0.000 1.365 184 M HN 0.332 nan 8.290 nan 0.000 0.406 185 H N -1.269 117.806 119.070 0.008 0.000 2.495 185 H HA -0.101 4.456 4.556 0.001 0.000 0.287 185 H C 1.878 177.212 175.328 0.011 0.000 1.033 185 H CA 1.560 57.610 56.048 0.004 0.000 1.307 185 H CB -0.277 29.488 29.762 0.004 0.000 1.401 185 H HN 0.531 nan 8.280 nan 0.000 0.555 186 M N -0.062 119.573 119.600 0.059 0.000 2.447 186 M HA -0.045 4.436 4.480 0.001 0.000 0.266 186 M C 0.864 177.213 176.300 0.082 0.000 1.120 186 M CA 0.975 56.249 55.300 -0.042 0.000 1.166 186 M CB 0.476 32.893 32.600 -0.306 0.000 1.349 186 M HN 0.294 nan 8.290 nan 0.000 0.463 187 W N -0.442 120.809 121.300 -0.082 0.000 2.055 187 W HA 0.615 5.276 4.660 0.001 0.000 0.293 187 W C 0.237 176.686 176.519 -0.116 0.000 0.886 187 W CA -0.263 57.033 57.345 -0.082 0.000 1.384 187 W CB -1.177 28.264 29.460 -0.032 0.000 1.068 187 W HN 0.423 nan 8.180 nan 0.000 0.513 188 G N 2.098 110.994 108.800 0.158 0.000 2.527 188 G HA2 -0.325 3.635 3.960 0.001 0.000 0.262 188 G HA3 -0.325 3.635 3.960 0.001 0.000 0.262 188 G C 0.325 175.050 174.900 -0.293 0.000 1.153 188 G CA 0.703 45.724 45.100 -0.132 0.000 0.954 188 G HN 0.574 nan 8.290 nan 0.000 0.552 189 F N 0.654 120.107 119.950 -0.829 0.000 3.091 189 F HA -0.229 4.298 4.527 0.001 0.000 0.288 189 F C 2.262 177.337 175.800 -1.208 0.000 0.907 189 F CA 1.712 58.758 58.000 -1.590 0.000 1.028 189 F CB -1.840 36.450 39.000 -1.183 0.000 1.022 189 F HN 1.325 nan 8.300 nan 0.000 0.665 190 S N -0.279 115.042 115.700 -0.632 0.000 2.400 190 S HA -0.249 4.221 4.470 0.001 0.000 0.232 190 S C 1.606 176.067 174.600 -0.231 0.000 1.025 190 S CA 1.339 59.345 58.200 -0.323 0.000 0.993 190 S CB -0.842 62.262 63.200 -0.160 0.000 0.808 190 S HN 0.725 nan 8.310 nan 0.000 0.478 191 W N 1.271 122.543 121.300 -0.046 0.000 2.611 191 W HA 0.305 4.965 4.660 0.001 0.000 0.251 191 W C 1.743 178.243 176.519 -0.031 0.000 1.265 191 W CA 0.074 57.415 57.345 -0.006 0.000 1.295 191 W CB -0.245 29.238 29.460 0.039 0.000 1.129 191 W HN 0.102 nan 8.180 nan 0.000 0.630 192 R N 0.777 120.934 120.500 -0.572 0.000 2.509 192 R HA 0.273 4.614 4.340 0.001 0.000 0.300 192 R C 0.553 176.636 176.300 -0.362 0.000 0.985 192 R CA -0.186 55.683 56.100 -0.386 0.000 1.092 192 R CB -0.151 29.853 30.300 -0.493 0.000 1.237 192 R HN 0.186 nan 8.270 nan 0.000 0.546 193 L N 0.154 121.127 121.223 -0.417 0.000 3.843 193 L HA -0.318 4.023 4.340 0.001 0.000 0.411 193 L C 0.815 177.593 176.870 -0.154 0.000 1.205 193 L CA 0.778 55.351 54.840 -0.445 0.000 0.945 193 L CB -1.813 39.589 42.059 -1.094 0.000 1.929 193 L HN 0.652 nan 8.230 nan 0.000 0.934 194 G N -2.354 106.377 108.800 -0.115 0.000 2.232 194 G HA2 -0.245 3.715 3.960 0.001 0.000 0.226 194 G HA3 -0.245 3.715 3.960 0.001 0.000 0.226 194 G C 0.253 175.273 174.900 0.199 0.000 0.996 194 G CA 0.197 45.411 45.100 0.190 0.000 0.626 194 G HN 0.374 nan 8.290 nan 0.000 0.509 195 N N 2.358 120.963 118.700 -0.158 0.000 2.513 195 N HA 0.515 5.255 4.740 0.001 0.000 0.274 195 N C -2.221 172.740 175.510 -0.915 0.000 1.189 195 N CA -1.084 51.645 53.050 -0.536 0.000 0.975 195 N CB 1.414 39.580 38.487 -0.535 0.000 1.157 195 N HN 0.281 nan 8.380 nan 0.000 0.465 196 P HA 0.168 nan 4.420 nan 0.000 0.281 196 P C -0.563 176.186 177.300 -0.918 0.000 1.264 196 P CA -0.452 61.681 63.100 -1.611 0.000 0.824 196 P CB 1.073 32.134 31.700 -1.065 0.000 1.092 197 E N 0.897 120.703 120.200 -0.657 0.000 2.392 197 E HA 0.089 4.439 4.350 0.001 0.000 0.256 197 E C 0.155 176.586 176.600 -0.282 0.000 1.145 197 E CA -0.494 55.752 56.400 -0.257 0.000 0.929 197 E CB 0.235 30.077 29.700 0.236 0.000 0.998 197 E HN 0.298 nan 8.360 nan 0.000 0.442 198 Q N 0.537 120.100 119.800 -0.394 0.000 2.073 198 Q HA 0.082 4.422 4.340 0.001 0.000 0.215 198 Q C -0.884 174.979 176.000 -0.228 0.000 0.776 198 Q CA -0.277 55.372 55.803 -0.258 0.000 1.008 198 Q CB 0.281 28.875 28.738 -0.240 0.000 1.196 198 Q HN 0.555 nan 8.270 nan 0.000 0.458 199 Y N 2.311 122.531 120.300 -0.134 0.000 2.904 199 Y HA -0.168 4.382 4.550 0.001 0.000 0.336 199 Y C 0.977 176.875 175.900 -0.004 0.000 1.263 199 Y CA 0.632 58.649 58.100 -0.138 0.000 1.547 199 Y CB 0.168 38.505 38.460 -0.205 0.000 1.272 199 Y HN 0.150 nan 8.280 nan 0.000 0.596 200 D N 1.510 122.068 120.400 0.264 0.000 2.792 200 D HA -0.259 4.381 4.640 0.001 0.000 0.231 200 D C 0.831 177.073 176.300 -0.098 0.000 1.160 200 D CA 0.846 54.916 54.000 0.116 0.000 0.697 200 D CB -0.894 40.009 40.800 0.172 0.000 1.070 200 D HN 0.656 nan 8.370 nan 0.000 0.426 201 L N -0.571 120.501 121.223 -0.252 0.000 2.313 201 L HA -0.078 4.263 4.340 0.001 0.000 0.214 201 L C 2.426 178.704 176.870 -0.986 0.000 1.119 201 L CA 0.153 54.607 54.840 -0.642 0.000 0.809 201 L CB -0.099 41.392 42.059 -0.947 0.000 0.933 201 L HN 0.149 nan 8.230 nan 0.000 0.449 202 L N 0.539 121.411 121.223 -0.585 0.000 1.989 202 L HA -0.268 4.073 4.340 0.001 0.000 0.211 202 L C 2.448 179.100 176.870 -0.363 0.000 1.071 202 L CA 2.128 56.733 54.840 -0.391 0.000 0.749 202 L CB -0.556 41.438 42.059 -0.109 0.000 0.890 202 L HN 0.315 nan 8.230 nan 0.000 0.431 203 E N -1.058 118.981 120.200 -0.268 0.000 2.110 203 E HA -0.296 4.054 4.350 0.001 0.000 0.193 203 E C 1.892 178.373 176.600 -0.199 0.000 0.988 203 E CA 1.474 57.765 56.400 -0.182 0.000 0.804 203 E CB -0.206 29.427 29.700 -0.112 0.000 0.745 203 E HN 0.663 nan 8.360 nan 0.000 0.458 204 D N -0.659 119.606 120.400 -0.225 0.000 2.104 204 D HA -0.116 4.525 4.640 0.001 0.000 0.194 204 D C 1.902 178.108 176.300 -0.156 0.000 0.994 204 D CA 1.790 55.737 54.000 -0.089 0.000 0.830 204 D CB -0.509 40.256 40.800 -0.058 0.000 0.959 204 D HN 0.292 nan 8.370 nan 0.000 0.452 205 G N 0.086 108.544 108.800 -0.571 0.000 2.402 205 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 205 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 205 G C 1.740 176.521 174.900 -0.198 0.000 1.162 205 G CA 0.464 45.194 45.100 -0.617 0.000 0.777 205 G HN 0.329 nan 8.290 nan 0.000 0.539 206 L N -0.232 120.874 121.223 -0.196 0.000 2.131 206 L HA -0.052 4.288 4.340 0.001 0.000 0.210 206 L C 2.887 179.681 176.870 -0.127 0.000 1.092 206 L CA 1.224 55.971 54.840 -0.156 0.000 0.759 206 L CB -0.166 41.736 42.059 -0.261 0.000 0.903 206 L HN 0.205 nan 8.230 nan 0.000 0.435 207 K N -1.628 118.646 120.400 -0.209 0.000 2.211 207 K HA -0.002 4.318 4.320 0.001 0.000 0.201 207 K C 1.532 177.858 176.600 -0.456 0.000 1.052 207 K CA 0.668 56.731 56.287 -0.373 0.000 0.973 207 K CB 0.204 32.338 32.500 -0.609 0.000 0.766 207 K HN 0.389 nan 8.250 nan 0.000 0.466 208 H N -1.086 118.032 119.070 0.081 0.000 3.255 208 H HA 0.275 4.832 4.556 0.001 0.000 0.256 208 H C 0.216 175.675 175.328 0.218 0.000 1.049 208 H CA -0.154 55.977 56.048 0.138 0.000 1.202 208 H CB 0.385 30.239 29.762 0.153 0.000 1.497 208 H HN 0.018 nan 8.280 nan 0.000 0.503 209 A N 1.611 124.637 122.820 0.343 0.000 2.511 209 A HA 0.087 4.408 4.320 0.001 0.000 0.242 209 A C 0.785 178.514 177.584 0.241 0.000 1.069 209 A CA 0.270 52.539 52.037 0.387 0.000 0.763 209 A CB 0.430 19.578 19.000 0.246 0.000 1.001 209 A HN 0.441 nan 8.150 nan 0.000 0.498 210 E N 0.875 121.208 120.200 0.222 0.000 2.474 210 E HA 0.252 4.602 4.350 0.001 0.000 0.215 210 E C 0.011 176.677 176.600 0.110 0.000 0.867 210 E CA 0.212 56.694 56.400 0.136 0.000 1.135 210 E CB 0.605 30.372 29.700 0.112 0.000 1.147 210 E HN 0.797 nan 8.360 nan 0.000 0.534 211 M N 0.998 120.677 119.600 0.131 0.000 2.471 211 M HA 0.416 4.897 4.480 0.001 0.000 0.284 211 M C -2.193 174.139 176.300 0.053 0.000 1.203 211 M CA -0.437 54.910 55.300 0.078 0.000 0.915 211 M CB 2.258 34.861 32.600 0.005 0.000 1.734 211 M HN -0.135 nan 8.290 nan 0.000 0.485 212 I N 3.523 124.093 120.570 0.000 0.000 2.499 212 I HA 0.443 4.613 4.170 0.001 0.000 0.288 212 I C -1.075 174.740 176.117 -0.503 0.000 1.048 212 I CA -1.035 60.097 61.300 -0.280 0.000 1.062 212 I CB 2.288 40.012 38.000 -0.461 0.000 1.238 212 I HN 0.371 nan 8.210 nan 0.000 0.426 213 V N 6.555 126.101 119.914 -0.613 0.000 2.304 213 V HA 0.285 4.405 4.120 0.001 0.000 0.269 213 V C -0.433 175.372 176.094 -0.481 0.000 1.036 213 V CA -0.363 61.616 62.300 -0.534 0.000 0.840 213 V CB 0.431 31.878 31.823 -0.627 0.000 1.036 213 V HN 0.374 nan 8.190 nan 0.000 0.466 214 F N 4.539 124.216 119.950 -0.456 0.000 2.439 214 F HA 0.285 4.812 4.527 0.001 0.000 0.356 214 F C 0.172 175.953 175.800 -0.032 0.000 1.161 214 F CA -0.183 57.585 58.000 -0.388 0.000 1.151 214 F CB 0.458 38.842 39.000 -1.026 0.000 1.222 214 F HN 0.490 nan 8.300 nan 0.000 0.558 215 W N 4.050 125.459 121.300 0.181 0.000 2.294 215 W HA 0.285 4.946 4.660 0.001 0.000 0.314 215 W C 0.666 177.415 176.519 0.383 0.000 1.044 215 W CA -1.259 56.288 57.345 0.335 0.000 1.284 215 W CB 1.409 31.151 29.460 0.470 0.000 1.231 215 W HN 0.505 nan 8.180 nan 0.000 0.419 216 S N 3.556 119.612 115.700 0.593 0.000 3.682 216 S HA -0.224 4.246 4.470 0.001 0.000 0.354 216 S C -0.309 174.464 174.600 0.289 0.000 1.034 216 S CA 1.403 59.778 58.200 0.292 0.000 1.084 216 S CB -1.250 61.896 63.200 -0.090 0.000 0.903 216 S HN 0.570 nan 8.310 nan 0.000 0.470 217 S N 0.836 116.732 115.700 0.326 0.000 2.647 217 S HA 0.571 5.042 4.470 0.001 0.000 0.300 217 S C -1.331 173.400 174.600 0.218 0.000 1.129 217 S CA -0.452 57.914 58.200 0.276 0.000 1.029 217 S CB 1.670 65.083 63.200 0.354 0.000 1.007 217 S HN 0.409 nan 8.310 nan 0.000 0.484 218 D N 5.365 125.833 120.400 0.114 0.000 2.513 218 D HA 0.412 5.053 4.640 0.001 0.000 0.295 218 D C -1.941 174.352 176.300 -0.012 0.000 1.202 218 D CA -2.038 51.986 54.000 0.040 0.000 0.849 218 D CB 1.401 42.228 40.800 0.045 0.000 1.116 218 D HN 0.223 nan 8.370 nan 0.000 0.502 219 P HA -0.166 nan 4.420 nan 0.000 0.216 219 P C 1.275 178.531 177.300 -0.072 0.000 1.154 219 P CA 1.030 64.083 63.100 -0.077 0.000 0.865 219 P CB 0.501 32.124 31.700 -0.128 0.000 0.789 220 E N -0.951 119.218 120.200 -0.051 0.000 2.051 220 E HA -0.125 4.225 4.350 0.001 0.000 0.192 220 E C 2.037 178.648 176.600 0.018 0.000 0.991 220 E CA 1.510 57.937 56.400 0.045 0.000 0.799 220 E CB -1.331 28.403 29.700 0.056 0.000 0.748 220 E HN 0.265 nan 8.360 nan 0.000 0.449 221 T N 2.110 116.656 114.554 -0.014 0.000 2.668 221 T HA -0.065 4.285 4.350 0.001 0.000 0.262 221 T C 1.600 176.216 174.700 -0.139 0.000 1.045 221 T CA 1.191 63.245 62.100 -0.076 0.000 1.152 221 T CB -0.159 68.709 68.868 -0.001 0.000 0.864 221 T HN 0.153 nan 8.240 nan 0.000 0.419 222 N N 1.083 119.718 118.700 -0.108 0.000 2.376 222 N HA -0.046 4.694 4.740 0.001 0.000 0.177 222 N C 1.315 176.749 175.510 -0.128 0.000 1.024 222 N CA 1.097 54.075 53.050 -0.119 0.000 0.893 222 N CB -0.051 38.378 38.487 -0.098 0.000 0.980 222 N HN 0.542 nan 8.380 nan 0.000 0.439 223 S N -1.141 114.475 115.700 -0.139 0.000 3.358 223 S HA -0.245 4.225 4.470 0.001 0.000 0.309 223 S C 1.136 175.672 174.600 -0.107 0.000 1.247 223 S CA 2.013 60.123 58.200 -0.150 0.000 0.961 223 S CB -1.996 61.072 63.200 -0.221 0.000 1.074 223 S HN 0.783 nan 8.310 nan 0.000 0.625 224 G N 1.131 109.889 108.800 -0.070 0.000 5.347 224 G HA2 -0.250 3.710 3.960 0.001 0.000 0.299 224 G HA3 -0.250 3.710 3.960 0.001 0.000 0.299 224 G C 0.045 174.967 174.900 0.037 0.000 1.492 224 G CA 0.145 45.215 45.100 -0.049 0.000 0.991 224 G HN 1.952 nan 8.290 nan 0.000 0.749 225 I N -1.738 118.806 120.570 -0.043 0.000 2.728 225 I HA 0.362 4.533 4.170 0.001 0.000 0.286 225 I C 0.494 176.539 176.117 -0.119 0.000 1.623 225 I CA -0.168 61.031 61.300 -0.169 0.000 1.048 225 I CB 0.536 38.437 38.000 -0.165 0.000 1.474 225 I HN 1.147 nan 8.210 nan 0.000 0.439 226 Y N 3.261 123.593 120.300 0.053 0.000 4.851 226 Y HA -0.312 4.239 4.550 0.001 0.000 0.235 226 Y C 1.016 176.919 175.900 0.005 0.000 0.998 226 Y CA 0.782 58.864 58.100 -0.030 0.000 1.980 226 Y CB -1.683 36.716 38.460 -0.102 0.000 1.561 226 Y HN 0.661 nan 8.280 nan 0.000 0.585 227 A N 0.376 123.236 122.820 0.067 0.000 2.708 227 A HA 0.605 4.926 4.320 0.001 0.000 0.293 227 A C 1.641 179.232 177.584 0.011 0.000 1.303 227 A CA 0.757 52.785 52.037 -0.014 0.000 0.949 227 A CB -0.781 18.105 19.000 -0.189 0.000 1.121 227 A HN 1.160 nan 8.150 nan 0.000 0.542 228 G N 0.584 109.354 108.800 -0.050 0.000 2.702 228 G HA2 -0.365 3.596 3.960 0.001 0.000 0.342 228 G HA3 -0.365 3.596 3.960 0.001 0.000 0.342 228 G C 0.268 174.813 174.900 -0.592 0.000 1.258 228 G CA 1.455 46.382 45.100 -0.289 0.000 0.990 228 G HN 0.774 nan 8.290 nan 0.000 0.548 229 F N 1.555 121.502 119.950 -0.006 0.000 2.841 229 F HA 0.380 4.908 4.527 0.001 0.000 0.358 229 F C 1.643 177.422 175.800 -0.035 0.000 1.261 229 F CA -0.047 57.925 58.000 -0.046 0.000 1.233 229 F CB 1.036 39.993 39.000 -0.072 0.000 1.008 229 F HN 0.246 nan 8.300 nan 0.000 0.507 230 E N 0.268 120.520 120.200 0.087 0.000 2.118 230 E HA -0.188 4.163 4.350 0.001 0.000 0.195 230 E C 2.190 178.800 176.600 0.016 0.000 0.992 230 E CA 1.773 58.212 56.400 0.066 0.000 0.804 230 E CB -0.192 29.517 29.700 0.015 0.000 0.741 230 E HN 0.425 nan 8.360 nan 0.000 0.458 231 S N 0.829 116.521 115.700 -0.014 0.000 2.562 231 S HA -0.040 4.430 4.470 0.001 0.000 0.221 231 S C 1.594 176.142 174.600 -0.086 0.000 0.975 231 S CA 0.364 58.533 58.200 -0.051 0.000 0.918 231 S CB -0.153 63.002 63.200 -0.074 0.000 0.772 231 S HN 0.159 nan 8.310 nan 0.000 0.531 232 N N 2.378 121.049 118.700 -0.048 0.000 2.061 232 N HA -0.161 4.580 4.740 0.001 0.000 0.193 232 N C 1.657 177.062 175.510 -0.175 0.000 1.030 232 N CA 1.863 54.867 53.050 -0.076 0.000 0.856 232 N CB -0.421 38.044 38.487 -0.036 0.000 1.023 232 N HN 0.603 nan 8.380 nan 0.000 0.424 233 I N 0.836 121.240 120.570 -0.277 0.000 2.493 233 I HA -0.191 3.980 4.170 0.001 0.000 0.254 233 I C 2.254 177.842 176.117 -0.883 0.000 1.160 233 I CA 0.756 61.729 61.300 -0.545 0.000 1.445 233 I CB -0.007 37.624 38.000 -0.614 0.000 1.086 233 I HN 0.168 nan 8.210 nan 0.000 0.433 234 R N 0.128 120.279 120.500 -0.582 0.000 2.075 234 R HA -0.089 4.251 4.340 0.001 0.000 0.232 234 R C 2.344 178.630 176.300 -0.023 0.000 1.126 234 R CA 1.107 57.032 56.100 -0.292 0.000 0.963 234 R CB -0.321 29.965 30.300 -0.023 0.000 0.858 234 R HN 0.322 nan 8.270 nan 0.000 0.435 235 R N 0.316 120.791 120.500 -0.042 0.000 2.148 235 R HA -0.121 4.219 4.340 0.001 0.000 0.223 235 R C 2.261 178.694 176.300 0.221 0.000 1.088 235 R CA 1.057 57.223 56.100 0.109 0.000 0.985 235 R CB -0.048 30.238 30.300 -0.024 0.000 0.880 235 R HN 0.110 nan 8.270 nan 0.000 0.451 236 Q N 0.006 119.836 119.800 0.049 0.000 2.084 236 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 236 Q C 1.466 177.603 176.000 0.230 0.000 0.978 236 Q CA 1.558 57.412 55.803 0.084 0.000 0.844 236 Q CB -0.101 28.611 28.738 -0.043 0.000 0.898 236 Q HN 0.288 nan 8.270 nan 0.000 0.426 237 W N 0.356 121.735 121.300 0.131 0.000 2.355 237 W HA -0.110 4.551 4.660 0.001 0.000 0.309 237 W C 1.979 178.539 176.519 0.068 0.000 1.206 237 W CA 0.737 58.147 57.345 0.108 0.000 1.284 237 W CB -1.111 28.298 29.460 -0.085 0.000 1.145 237 W HN 0.242 nan 8.180 nan 0.000 0.502 238 L N 0.302 121.726 121.223 0.336 0.000 2.012 238 L HA -0.245 4.096 4.340 0.001 0.000 0.210 238 L C 2.582 179.541 176.870 0.148 0.000 1.073 238 L CA 1.870 56.871 54.840 0.268 0.000 0.748 238 L CB -1.012 41.301 42.059 0.424 0.000 0.891 238 L HN -0.074 nan 8.230 nan 0.000 0.431 239 K N 0.081 120.561 120.400 0.133 0.000 2.063 239 K HA -0.222 4.099 4.320 0.001 0.000 0.208 239 K C 1.508 178.107 176.600 -0.001 0.000 1.048 239 K CA 1.922 58.150 56.287 -0.099 0.000 0.928 239 K CB -0.039 32.465 32.500 0.007 0.000 0.713 239 K HN 0.274 nan 8.250 nan 0.000 0.442 240 D N 0.571 121.041 120.400 0.117 0.000 2.312 240 D HA -0.075 4.565 4.640 0.001 0.000 0.211 240 D C 1.588 177.963 176.300 0.125 0.000 0.964 240 D CA 0.660 54.739 54.000 0.131 0.000 0.877 240 D CB 0.156 41.080 40.800 0.207 0.000 0.924 240 D HN 0.295 nan 8.370 nan 0.000 0.515 241 L N -0.635 120.665 121.223 0.129 0.000 2.558 241 L HA 0.161 4.501 4.340 0.001 0.000 0.225 241 L C 1.396 178.302 176.870 0.060 0.000 1.128 241 L CA 0.421 55.330 54.840 0.115 0.000 0.868 241 L CB 0.136 42.272 42.059 0.129 0.000 1.006 241 L HN 0.118 nan 8.230 nan 0.000 0.454 242 G N -0.054 108.756 108.800 0.016 0.000 2.144 242 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 242 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 242 G C 0.142 175.010 174.900 -0.054 0.000 0.988 242 G CA -0.139 44.950 45.100 -0.018 0.000 0.659 242 G HN 0.047 nan 8.290 nan 0.000 0.522 243 V N 1.588 121.451 119.914 -0.086 0.000 2.572 243 V HA 0.316 4.436 4.120 0.001 0.000 0.291 243 V C 0.375 176.292 176.094 -0.295 0.000 1.039 243 V CA -0.374 61.872 62.300 -0.089 0.000 1.055 243 V CB 1.208 33.060 31.823 0.047 0.000 0.969 243 V HN 0.275 nan 8.190 nan 0.000 0.482 244 D N 4.156 124.486 120.400 -0.116 0.000 2.304 244 D HA 0.367 5.008 4.640 0.001 0.000 0.250 244 D C -0.437 175.928 176.300 0.109 0.000 1.107 244 D CA 0.272 54.217 54.000 -0.093 0.000 0.885 244 D CB 0.914 41.716 40.800 0.003 0.000 1.192 244 D HN 0.395 nan 8.370 nan 0.000 0.436 245 F N 1.181 121.198 119.950 0.111 0.000 2.402 245 F HA 0.349 4.876 4.527 0.001 0.000 0.355 245 F C 0.070 175.945 175.800 0.125 0.000 1.123 245 F CA -1.060 57.039 58.000 0.165 0.000 1.021 245 F CB 1.547 40.771 39.000 0.373 0.000 1.160 245 F HN -0.141 nan 8.300 nan 0.000 0.451 246 V N 4.604 124.588 119.914 0.116 0.000 2.448 246 V HA 0.373 4.493 4.120 0.001 0.000 0.295 246 V C -0.650 175.347 176.094 -0.161 0.000 1.025 246 V CA -0.782 61.502 62.300 -0.028 0.000 0.859 246 V CB 1.664 33.352 31.823 -0.225 0.000 0.988 246 V HN 0.445 nan 8.190 nan 0.000 0.431 247 F N 4.863 124.813 119.950 -0.001 0.000 2.458 247 F HA 0.629 5.156 4.527 0.001 0.000 0.336 247 F C 0.178 175.976 175.800 -0.003 0.000 1.114 247 F CA -0.722 57.323 58.000 0.074 0.000 0.987 247 F CB 1.589 40.659 39.000 0.117 0.000 1.130 247 F HN 0.230 nan 8.300 nan 0.000 0.458 248 I N 3.621 124.230 120.570 0.066 0.000 2.390 248 I HA 0.350 4.520 4.170 0.001 0.000 0.283 248 I C -1.155 175.061 176.117 0.165 0.000 1.016 248 I CA -0.297 60.957 61.300 -0.077 0.000 1.151 248 I CB 1.315 38.865 38.000 -0.749 0.000 1.293 248 I HN 0.471 nan 8.210 nan 0.000 0.458 249 D N 8.003 128.590 120.400 0.311 0.000 2.878 249 D HA 0.215 4.855 4.640 0.001 0.000 0.211 249 D C -2.398 174.157 176.300 0.426 0.000 1.271 249 D CA -1.405 52.809 54.000 0.356 0.000 0.845 249 D CB 3.260 44.271 40.800 0.352 0.000 1.679 249 D HN 0.017 nan 8.370 nan 0.000 0.536 250 P HA -0.113 nan 4.420 nan 0.000 0.216 250 P C -0.038 177.539 177.300 0.461 0.000 1.150 250 P CA 1.190 64.460 63.100 0.285 0.000 0.843 250 P CB 0.014 31.835 31.700 0.202 0.000 0.787 251 H N -0.934 118.311 119.070 0.291 0.000 2.459 251 H HA 0.338 4.895 4.556 0.001 0.000 0.332 251 H C -0.291 174.977 175.328 -0.100 0.000 1.094 251 H CA -1.135 54.971 56.048 0.097 0.000 1.224 251 H CB 0.734 30.426 29.762 -0.117 0.000 1.449 251 H HN -0.156 nan 8.280 nan 0.000 0.484 252 M N 6.206 125.217 119.600 -0.981 0.000 2.869 252 M HA -0.023 4.457 4.480 0.001 0.000 0.299 252 M C -0.366 175.060 176.300 -1.457 0.000 1.508 252 M CA -0.380 53.896 55.300 -1.706 0.000 1.551 252 M CB -0.731 30.576 32.600 -2.155 0.000 1.384 252 M HN 0.660 nan 8.290 nan 0.000 0.491 253 N N 2.119 120.195 118.700 -1.040 0.000 2.260 253 N HA -0.065 4.675 4.740 0.001 0.000 0.230 253 N C 0.584 175.610 175.510 -0.807 0.000 1.323 253 N CA 0.265 52.796 53.050 -0.866 0.000 0.897 253 N CB 0.266 38.546 38.487 -0.344 0.000 1.146 253 N HN 0.467 nan 8.380 nan 0.000 0.460 254 H N -1.142 117.735 119.070 -0.322 0.000 2.421 254 H HA -0.063 4.493 4.556 0.001 0.000 0.298 254 H C 1.178 176.306 175.328 -0.332 0.000 1.087 254 H CA 1.895 57.777 56.048 -0.277 0.000 1.330 254 H CB -0.471 29.196 29.762 -0.158 0.000 1.388 254 H HN 0.636 nan 8.280 nan 0.000 0.526 255 T N 0.755 115.128 114.554 -0.302 0.000 2.812 255 T HA 0.011 4.361 4.350 0.001 0.000 0.264 255 T C 2.388 176.600 174.700 -0.812 0.000 1.042 255 T CA 0.950 62.806 62.100 -0.407 0.000 1.140 255 T CB -0.255 68.423 68.868 -0.317 0.000 0.870 255 T HN 0.432 nan 8.240 nan 0.000 0.445 256 A N 2.120 124.210 122.820 -1.216 0.000 1.902 256 A HA -0.131 4.190 4.320 0.001 0.000 0.217 256 A C 2.354 179.460 177.584 -0.797 0.000 1.181 256 A CA 1.356 52.475 52.037 -1.529 0.000 0.623 256 A CB -0.500 17.731 19.000 -1.281 0.000 0.818 256 A HN 0.412 nan 8.150 nan 0.000 0.443 257 R N -1.321 118.804 120.500 -0.625 0.000 2.120 257 R HA -0.087 4.254 4.340 0.001 0.000 0.234 257 R C 2.007 178.139 176.300 -0.280 0.000 1.123 257 R CA 1.372 57.222 56.100 -0.415 0.000 0.975 257 R CB -0.402 29.693 30.300 -0.342 0.000 0.866 257 R HN 0.502 nan 8.270 nan 0.000 0.446 258 L N -0.019 121.038 121.223 -0.277 0.000 2.102 258 L HA -0.032 4.309 4.340 0.001 0.000 0.202 258 L C 1.506 178.307 176.870 -0.115 0.000 1.076 258 L CA 1.276 56.013 54.840 -0.171 0.000 0.761 258 L CB 0.476 42.445 42.059 -0.150 0.000 0.921 258 L HN 0.053 nan 8.230 nan 0.000 0.444 259 V N -3.554 116.285 119.914 -0.125 0.000 3.199 259 V HA 0.621 4.742 4.120 0.001 0.000 0.331 259 V C 0.584 176.809 176.094 0.218 0.000 1.446 259 V CA -0.247 62.106 62.300 0.088 0.000 1.120 259 V CB -0.683 31.319 31.823 0.299 0.000 1.051 259 V HN 0.221 nan 8.190 nan 0.000 0.495 260 A N 0.400 123.208 122.820 -0.020 0.000 2.477 260 A HA 0.423 4.743 4.320 0.001 0.000 0.246 260 A C 0.871 178.576 177.584 0.202 0.000 1.078 260 A CA 0.445 52.587 52.037 0.175 0.000 0.770 260 A CB 0.151 19.085 19.000 -0.111 0.000 1.011 260 A HN 0.459 nan 8.150 nan 0.000 0.494 261 D N -0.026 120.541 120.400 0.278 0.000 2.355 261 D HA 0.115 4.756 4.640 0.001 0.000 0.206 261 D C 0.147 176.541 176.300 0.156 0.000 1.010 261 D CA 1.043 55.139 54.000 0.159 0.000 0.875 261 D CB 0.447 41.318 40.800 0.119 0.000 0.966 261 D HN 0.471 nan 8.370 nan 0.000 0.512 262 K N -0.249 120.273 120.400 0.204 0.000 2.557 262 K HA 0.267 4.588 4.320 0.001 0.000 0.261 262 K C -2.385 174.363 176.600 0.248 0.000 0.932 262 K CA -0.703 55.694 56.287 0.183 0.000 0.829 262 K CB 1.589 34.144 32.500 0.092 0.000 1.358 262 K HN -0.115 nan 8.250 nan 0.000 0.430 263 W N 6.401 127.748 121.300 0.078 0.000 2.739 263 W HA 0.649 5.309 4.660 0.001 0.000 0.331 263 W C -1.880 174.808 176.519 0.281 0.000 1.049 263 W CA -1.014 56.385 57.345 0.090 0.000 1.234 263 W CB 0.932 30.410 29.460 0.030 0.000 1.404 263 W HN 0.309 nan 8.180 nan 0.000 0.477 264 F N 4.102 123.798 119.950 -0.424 0.000 2.469 264 F HA 0.444 4.972 4.527 0.001 0.000 0.332 264 F C 0.372 175.698 175.800 -0.789 0.000 1.103 264 F CA -1.780 55.884 58.000 -0.560 0.000 0.979 264 F CB 1.909 40.735 39.000 -0.290 0.000 1.137 264 F HN 0.283 nan 8.300 nan 0.000 0.463 265 S N 5.647 120.992 115.700 -0.592 0.000 2.269 265 S HA 0.409 4.879 4.470 0.001 0.000 0.194 265 S C -2.729 171.778 174.600 -0.156 0.000 1.547 265 S CA -1.481 56.492 58.200 -0.379 0.000 1.186 265 S CB 0.036 62.904 63.200 -0.554 0.000 1.069 265 S HN 0.267 nan 8.310 nan 0.000 0.473 266 P HA 0.221 nan 4.420 nan 0.000 0.274 266 P C -0.575 176.730 177.300 0.007 0.000 1.231 266 P CA -0.475 62.618 63.100 -0.011 0.000 0.790 266 P CB 0.760 32.512 31.700 0.086 0.000 0.951 267 K N 1.829 122.215 120.400 -0.023 0.000 2.276 267 K HA 0.160 4.480 4.320 0.001 0.000 0.259 267 K C 0.850 177.435 176.600 -0.025 0.000 1.001 267 K CA -0.435 55.837 56.287 -0.026 0.000 0.927 267 K CB -0.005 32.464 32.500 -0.052 0.000 0.969 267 K HN 0.498 nan 8.250 nan 0.000 0.490 268 I N -1.341 119.207 120.570 -0.038 0.000 2.815 268 I HA 0.037 4.208 4.170 0.001 0.000 0.291 268 I C 0.979 176.973 176.117 -0.205 0.000 1.209 268 I CA 0.413 61.662 61.300 -0.085 0.000 1.431 268 I CB -0.149 37.809 38.000 -0.070 0.000 1.351 268 I HN 0.841 nan 8.210 nan 0.000 0.585 269 G N 3.446 111.939 108.800 -0.511 0.000 2.203 269 G HA2 -0.299 3.661 3.960 0.001 0.000 0.263 269 G HA3 -0.299 3.661 3.960 0.001 0.000 0.263 269 G C 0.529 175.169 174.900 -0.432 0.000 1.012 269 G CA 0.640 45.113 45.100 -1.045 0.000 0.749 269 G HN 1.365 nan 8.290 nan 0.000 0.512 270 T N -3.942 110.542 114.554 -0.117 0.000 3.091 270 T HA 0.284 4.634 4.350 0.001 0.000 0.277 270 T C 1.232 176.176 174.700 0.407 0.000 0.996 270 T CA 0.785 62.998 62.100 0.188 0.000 0.897 270 T CB 0.371 69.277 68.868 0.063 0.000 1.109 270 T HN 0.170 nan 8.240 nan 0.000 0.534 271 D N 2.527 123.284 120.400 0.595 0.000 2.123 271 D HA -0.181 4.459 4.640 0.001 0.000 0.196 271 D C 1.936 178.761 176.300 0.875 0.000 0.992 271 D CA 1.694 56.180 54.000 0.811 0.000 0.833 271 D CB -0.172 41.151 40.800 0.872 0.000 0.954 271 D HN 0.712 nan 8.370 nan 0.000 0.455 272 H N 0.567 120.038 119.070 0.667 0.000 2.545 272 H HA 0.164 4.720 4.556 0.001 0.000 0.282 272 H C 1.784 177.588 175.328 0.793 0.000 1.020 272 H CA 0.915 57.333 56.048 0.617 0.000 1.243 272 H CB -0.582 29.550 29.762 0.616 0.000 1.377 272 H HN 0.053 nan 8.280 nan 0.000 0.581 273 A N 1.960 125.086 122.820 0.510 0.000 1.897 273 A HA 0.021 4.341 4.320 0.001 0.000 0.215 273 A C 2.724 180.519 177.584 0.351 0.000 1.181 273 A CA 0.956 53.124 52.037 0.220 0.000 0.620 273 A CB -0.707 18.076 19.000 -0.362 0.000 0.821 273 A HN 0.351 nan 8.150 nan 0.000 0.443 274 L N 0.494 121.951 121.223 0.389 0.000 2.056 274 L HA -0.177 4.163 4.340 0.001 0.000 0.207 274 L C 3.033 180.182 176.870 0.466 0.000 1.078 274 L CA 1.685 56.770 54.840 0.408 0.000 0.749 274 L CB -0.713 41.651 42.059 0.510 0.000 0.901 274 L HN 0.605 nan 8.230 nan 0.000 0.433 275 S N -0.332 115.681 115.700 0.522 0.000 2.382 275 S HA -0.164 4.306 4.470 0.001 0.000 0.228 275 S C 1.902 176.561 174.600 0.098 0.000 1.027 275 S CA 0.963 59.308 58.200 0.242 0.000 0.991 275 S CB -0.862 62.335 63.200 -0.005 0.000 0.823 275 S HN 0.292 nan 8.310 nan 0.000 0.469 276 F N 2.273 122.398 119.950 0.291 0.000 2.186 276 F HA 0.115 4.643 4.527 0.001 0.000 0.299 276 F C 2.878 178.717 175.800 0.066 0.000 1.090 276 F CA 0.766 58.868 58.000 0.171 0.000 1.307 276 F CB -0.475 38.618 39.000 0.155 0.000 1.019 276 F HN 0.311 nan 8.300 nan 0.000 0.489 277 A N 0.152 123.156 122.820 0.307 0.000 1.930 277 A HA -0.114 4.206 4.320 0.001 0.000 0.217 277 A C 2.146 179.766 177.584 0.059 0.000 1.175 277 A CA 1.286 53.426 52.037 0.172 0.000 0.627 277 A CB -0.915 18.188 19.000 0.172 0.000 0.815 277 A HN 0.403 nan 8.150 nan 0.000 0.443 278 I N -0.407 120.124 120.570 -0.066 0.000 2.252 278 I HA -0.240 3.931 4.170 0.001 0.000 0.245 278 I C 2.952 178.599 176.117 -0.784 0.000 1.102 278 I CA 0.993 62.030 61.300 -0.438 0.000 1.385 278 I CB -0.295 37.384 38.000 -0.535 0.000 1.064 278 I HN 0.355 nan 8.210 nan 0.000 0.414 279 A N 0.116 122.664 122.820 -0.454 0.000 1.930 279 A HA -0.282 4.039 4.320 0.001 0.000 0.217 279 A C 2.283 179.831 177.584 -0.059 0.000 1.175 279 A CA 1.416 53.326 52.037 -0.212 0.000 0.627 279 A CB -1.025 18.064 19.000 0.148 0.000 0.815 279 A HN 0.524 nan 8.150 nan 0.000 0.443 280 Y N 1.329 121.541 120.300 -0.147 0.000 2.165 280 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 280 Y C 2.627 178.494 175.900 -0.055 0.000 1.155 280 Y CA 2.415 60.441 58.100 -0.122 0.000 1.164 280 Y CB -0.644 37.738 38.460 -0.130 0.000 0.978 280 Y HN 0.314 nan 8.280 nan 0.000 0.513 281 T N -0.118 114.474 114.554 0.065 0.000 2.708 281 T HA -0.220 4.131 4.350 0.001 0.000 0.266 281 T C 1.421 176.214 174.700 0.155 0.000 1.037 281 T CA 1.751 63.892 62.100 0.069 0.000 1.146 281 T CB -0.538 68.370 68.868 0.067 0.000 0.865 281 T HN 0.481 nan 8.240 nan 0.000 0.435 282 W N 1.354 122.671 121.300 0.029 0.000 2.363 282 W HA 0.143 4.804 4.660 0.001 0.000 0.296 282 W C 2.077 178.644 176.519 0.080 0.000 1.212 282 W CA -0.006 57.376 57.345 0.063 0.000 1.260 282 W CB -1.426 28.051 29.460 0.029 0.000 1.131 282 W HN 0.281 nan 8.180 nan 0.000 0.530 283 L N 0.152 121.473 121.223 0.164 0.000 2.056 283 L HA -0.185 4.156 4.340 0.001 0.000 0.207 283 L C 2.583 179.463 176.870 0.017 0.000 1.078 283 L CA 1.115 56.003 54.840 0.078 0.000 0.749 283 L CB -0.757 41.244 42.059 -0.096 0.000 0.901 283 L HN -0.207 nan 8.230 nan 0.000 0.433 284 K N 0.397 120.712 120.400 -0.142 0.000 2.097 284 K HA -0.117 4.203 4.320 0.001 0.000 0.205 284 K C 1.565 178.157 176.600 -0.014 0.000 1.050 284 K CA 1.270 57.457 56.287 -0.167 0.000 0.938 284 K CB -0.035 32.273 32.500 -0.320 0.000 0.718 284 K HN 0.431 nan 8.250 nan 0.000 0.442 285 E N 0.234 120.477 120.200 0.071 0.000 2.481 285 E HA -0.000 4.350 4.350 0.001 0.000 0.198 285 E C -0.795 175.879 176.600 0.123 0.000 1.027 285 E CA -0.126 56.335 56.400 0.102 0.000 0.900 285 E CB 0.314 30.095 29.700 0.135 0.000 0.993 285 E HN 0.158 nan 8.360 nan 0.000 0.482 286 D N 0.623 121.130 120.400 0.178 0.000 2.837 286 D HA -0.149 4.491 4.640 0.001 0.000 0.230 286 D C -0.478 175.885 176.300 0.105 0.000 1.152 286 D CA 1.228 55.324 54.000 0.161 0.000 0.736 286 D CB -1.242 39.583 40.800 0.041 0.000 1.084 286 D HN 0.202 nan 8.370 nan 0.000 0.429 287 S N -0.031 115.797 115.700 0.213 0.000 3.334 287 S HA 0.496 4.967 4.470 0.001 0.000 0.188 287 S C -0.189 174.381 174.600 -0.050 0.000 1.404 287 S CA -0.807 57.426 58.200 0.054 0.000 1.040 287 S CB -0.257 62.981 63.200 0.064 0.000 1.352 287 S HN 0.445 nan 8.310 nan 0.000 0.501 288 Y N -2.268 117.906 120.300 -0.209 0.000 2.725 288 Y HA 0.628 5.178 4.550 0.001 0.000 0.333 288 Y C -1.204 174.584 175.900 -0.186 0.000 1.242 288 Y CA -1.555 56.367 58.100 -0.297 0.000 1.059 288 Y CB 0.265 38.614 38.460 -0.184 0.000 1.306 288 Y HN 0.118 nan 8.280 nan 0.000 0.454 289 D N 1.776 122.095 120.400 -0.134 0.000 2.508 289 D HA 0.176 4.817 4.640 0.001 0.000 0.224 289 D C 0.427 176.620 176.300 -0.178 0.000 1.171 289 D CA 0.195 54.090 54.000 -0.174 0.000 1.006 289 D CB 0.573 41.289 40.800 -0.140 0.000 1.073 289 D HN 0.689 nan 8.370 nan 0.000 0.513 290 K N 1.577 121.727 120.400 -0.417 0.000 2.063 290 K HA -0.188 4.133 4.320 0.001 0.000 0.208 290 K C 1.419 177.940 176.600 -0.131 0.000 1.048 290 K CA 1.129 57.205 56.287 -0.352 0.000 0.928 290 K CB 0.325 32.587 32.500 -0.397 0.000 0.713 290 K HN 0.231 nan 8.250 nan 0.000 0.442 291 E N 0.258 120.400 120.200 -0.097 0.000 2.031 291 E HA -0.208 4.142 4.350 0.001 0.000 0.193 291 E C 1.759 178.347 176.600 -0.020 0.000 0.994 291 E CA 1.293 57.661 56.400 -0.054 0.000 0.800 291 E CB -0.460 29.212 29.700 -0.048 0.000 0.752 291 E HN 0.348 nan 8.360 nan 0.000 0.447 292 Y N 0.619 120.844 120.300 -0.126 0.000 2.128 292 Y HA -0.277 4.273 4.550 0.001 0.000 0.284 292 Y C 2.113 177.942 175.900 -0.118 0.000 1.154 292 Y CA 1.459 59.484 58.100 -0.125 0.000 1.149 292 Y CB -0.140 38.257 38.460 -0.105 0.000 0.976 292 Y HN -0.109 nan 8.280 nan 0.000 0.505 293 V N 0.307 120.314 119.914 0.154 0.000 2.343 293 V HA -0.333 3.787 4.120 0.001 0.000 0.247 293 V C 2.620 178.655 176.094 -0.098 0.000 1.051 293 V CA 1.722 64.004 62.300 -0.030 0.000 1.036 293 V CB -1.457 30.194 31.823 -0.286 0.000 0.654 293 V HN 0.592 nan 8.190 nan 0.000 0.451 294 A N -0.301 122.476 122.820 -0.072 0.000 1.972 294 A HA -0.051 4.270 4.320 0.001 0.000 0.219 294 A C 2.304 179.859 177.584 -0.047 0.000 1.169 294 A CA 2.086 54.099 52.037 -0.040 0.000 0.635 294 A CB -0.476 18.506 19.000 -0.030 0.000 0.810 294 A HN 0.575 nan 8.150 nan 0.000 0.446 295 A N -0.745 122.010 122.820 -0.109 0.000 1.997 295 A HA 0.058 4.378 4.320 0.001 0.000 0.212 295 A C 1.464 178.936 177.584 -0.186 0.000 1.178 295 A CA 0.930 52.878 52.037 -0.149 0.000 0.698 295 A CB -0.061 18.811 19.000 -0.213 0.000 0.842 295 A HN 0.471 nan 8.150 nan 0.000 0.458 296 N N -0.104 118.436 118.700 -0.267 0.000 2.214 296 N HA 0.356 5.097 4.740 0.001 0.000 0.214 296 N C -0.125 175.465 175.510 0.132 0.000 1.132 296 N CA 0.697 53.619 53.050 -0.213 0.000 0.856 296 N CB 0.850 38.891 38.487 -0.743 0.000 1.020 296 N HN 0.413 nan 8.380 nan 0.000 0.509 297 A N 0.140 123.048 122.820 0.146 0.000 2.374 297 A HA 0.571 4.891 4.320 0.001 0.000 0.317 297 A C -1.289 176.491 177.584 0.326 0.000 1.094 297 A CA -0.487 51.731 52.037 0.302 0.000 0.765 297 A CB 1.371 20.500 19.000 0.215 0.000 1.268 297 A HN 0.325 nan 8.150 nan 0.000 0.438 298 H N -0.165 119.097 119.070 0.321 0.000 2.529 298 H HA 0.513 5.070 4.556 0.001 0.000 0.348 298 H C 0.809 176.322 175.328 0.308 0.000 1.079 298 H CA 0.603 56.806 56.048 0.257 0.000 1.198 298 H CB 1.463 31.349 29.762 0.208 0.000 1.521 298 H HN 1.676 nan 8.280 nan 0.000 0.514 299 G N 3.661 112.254 108.800 -0.345 0.000 2.153 299 G HA2 -0.377 3.584 3.960 0.001 0.000 0.252 299 G HA3 -0.377 3.584 3.960 0.001 0.000 0.252 299 G C 0.750 175.686 174.900 0.061 0.000 0.994 299 G CA 0.600 45.599 45.100 -0.169 0.000 0.698 299 G HN 0.618 nan 8.290 nan 0.000 0.521 300 F N 1.202 121.089 119.950 -0.105 0.000 2.186 300 F HA 0.064 4.591 4.527 0.001 0.000 0.299 300 F C 2.386 178.184 175.800 -0.003 0.000 1.090 300 F CA 2.337 60.204 58.000 -0.220 0.000 1.307 300 F CB 0.038 38.860 39.000 -0.296 0.000 1.019 300 F HN 0.297 nan 8.300 nan 0.000 0.489 301 E N 0.551 120.805 120.200 0.089 0.000 2.058 301 E HA -0.235 4.116 4.350 0.001 0.000 0.194 301 E C 1.943 178.522 176.600 -0.034 0.000 0.997 301 E CA 1.967 58.388 56.400 0.034 0.000 0.801 301 E CB -0.515 29.227 29.700 0.070 0.000 0.746 301 E HN 0.455 nan 8.360 nan 0.000 0.450 302 E N -0.311 119.893 120.200 0.007 0.000 2.077 302 E HA -0.165 4.185 4.350 0.001 0.000 0.193 302 E C 1.677 178.305 176.600 0.048 0.000 0.989 302 E CA 1.074 57.490 56.400 0.027 0.000 0.800 302 E CB -0.406 29.326 29.700 0.053 0.000 0.746 302 E HN 0.372 nan 8.360 nan 0.000 0.452 303 W N 1.429 122.642 121.300 -0.144 0.000 2.358 303 W HA -0.161 4.499 4.660 0.001 0.000 0.303 303 W C 2.336 178.743 176.519 -0.187 0.000 1.208 303 W CA 2.136 59.416 57.345 -0.109 0.000 1.274 303 W CB -0.448 28.923 29.460 -0.148 0.000 1.138 303 W HN 0.071 nan 8.180 nan 0.000 0.515 304 A N 0.092 122.690 122.820 -0.369 0.000 1.940 304 A HA -0.245 4.075 4.320 0.001 0.000 0.219 304 A C 1.743 179.125 177.584 -0.338 0.000 1.176 304 A CA 2.187 53.928 52.037 -0.495 0.000 0.631 304 A CB -1.012 17.727 19.000 -0.436 0.000 0.814 304 A HN 0.310 nan 8.150 nan 0.000 0.446 305 D N -1.909 118.367 120.400 -0.206 0.000 2.178 305 D HA -0.132 4.508 4.640 0.001 0.000 0.202 305 D C 1.625 177.806 176.300 -0.198 0.000 0.974 305 D CA 1.401 55.307 54.000 -0.157 0.000 0.841 305 D CB -0.355 40.396 40.800 -0.081 0.000 0.953 305 D HN 0.642 nan 8.370 nan 0.000 0.478 306 Y N 1.601 121.709 120.300 -0.320 0.000 2.163 306 Y HA -0.200 4.351 4.550 0.001 0.000 0.288 306 Y C 2.166 177.775 175.900 -0.486 0.000 1.136 306 Y CA 1.098 58.978 58.100 -0.366 0.000 1.147 306 Y CB -0.400 37.844 38.460 -0.361 0.000 0.987 306 Y HN -0.221 nan 8.280 nan 0.000 0.509 307 V N 0.873 120.372 119.914 -0.692 0.000 2.392 307 V HA -0.320 3.800 4.120 0.001 0.000 0.249 307 V C 2.343 178.180 176.094 -0.429 0.000 1.059 307 V CA 2.029 63.922 62.300 -0.678 0.000 1.051 307 V CB -0.793 30.648 31.823 -0.637 0.000 0.658 307 V HN 0.451 nan 8.190 nan 0.000 0.455 308 L N 0.234 121.267 121.223 -0.317 0.000 2.551 308 L HA 0.183 4.523 4.340 0.001 0.000 0.228 308 L C 1.825 178.577 176.870 -0.196 0.000 1.153 308 L CA 0.940 55.698 54.840 -0.137 0.000 0.851 308 L CB -0.605 41.357 42.059 -0.162 0.000 0.959 308 L HN 0.582 nan 8.230 nan 0.000 0.451 309 G N -0.097 108.469 108.800 -0.390 0.000 2.157 309 G HA2 -0.294 3.666 3.960 0.001 0.000 0.239 309 G HA3 -0.294 3.666 3.960 0.001 0.000 0.239 309 G C 0.969 175.709 174.900 -0.265 0.000 0.982 309 G CA 0.394 45.255 45.100 -0.398 0.000 0.650 309 G HN 0.360 nan 8.290 nan 0.000 0.527 310 K N -0.025 120.250 120.400 -0.210 0.000 2.211 310 K HA -0.018 4.302 4.320 0.001 0.000 0.203 310 K C 2.691 179.227 176.600 -0.107 0.000 1.050 310 K CA 1.811 58.018 56.287 -0.133 0.000 0.945 310 K CB -0.130 32.309 32.500 -0.103 0.000 0.732 310 K HN 0.632 nan 8.250 nan 0.000 0.451 311 T N -1.034 113.451 114.554 -0.114 0.000 3.033 311 T HA -0.045 4.306 4.350 0.001 0.000 0.248 311 T C 1.344 176.015 174.700 -0.050 0.000 1.040 311 T CA 0.745 62.819 62.100 -0.044 0.000 1.133 311 T CB 0.033 68.927 68.868 0.044 0.000 0.895 311 T HN 0.146 nan 8.240 nan 0.000 0.465 312 D N 0.566 120.896 120.400 -0.118 0.000 2.398 312 D HA 0.266 4.907 4.640 0.001 0.000 0.210 312 D C 1.582 177.792 176.300 -0.151 0.000 1.094 312 D CA 0.383 54.319 54.000 -0.107 0.000 0.839 312 D CB -0.491 40.252 40.800 -0.095 0.000 0.963 312 D HN 0.606 nan 8.370 nan 0.000 0.506 313 G N -0.125 108.568 108.800 -0.179 0.000 2.153 313 G HA2 -0.236 3.724 3.960 0.001 0.000 0.252 313 G HA3 -0.236 3.724 3.960 0.001 0.000 0.252 313 G C 0.106 174.872 174.900 -0.223 0.000 0.994 313 G CA 0.567 45.567 45.100 -0.166 0.000 0.698 313 G HN 0.441 nan 8.290 nan 0.000 0.521 314 T N 1.900 116.247 114.554 -0.345 0.000 3.064 314 T HA 0.503 4.853 4.350 0.001 0.000 0.367 314 T C -2.665 171.628 174.700 -0.677 0.000 1.202 314 T CA -0.957 60.862 62.100 -0.468 0.000 1.133 314 T CB 2.539 71.104 68.868 -0.505 0.000 1.074 314 T HN 0.046 nan 8.240 nan 0.000 0.519 315 P HA 0.121 nan 4.420 nan 0.000 0.268 315 P C -0.046 176.679 177.300 -0.960 0.000 1.204 315 P CA -0.480 62.268 63.100 -0.587 0.000 0.768 315 P CB 0.506 31.992 31.700 -0.357 0.000 0.842 316 K N 2.410 122.164 120.400 -1.077 0.000 2.502 316 K HA 0.129 4.449 4.320 0.001 0.000 0.244 316 K C 0.579 176.650 176.600 -0.881 0.000 1.249 316 K CA 0.105 55.697 56.287 -1.158 0.000 1.193 316 K CB -1.160 30.800 32.500 -0.901 0.000 1.674 316 K HN 0.482 nan 8.250 nan 0.000 0.302 317 T N -3.262 110.795 114.554 -0.829 0.000 2.788 317 T HA 0.052 4.402 4.350 0.001 0.000 0.287 317 T C 1.624 176.263 174.700 -0.101 0.000 1.007 317 T CA -0.620 61.109 62.100 -0.619 0.000 1.005 317 T CB 0.903 69.523 68.868 -0.412 0.000 1.012 317 T HN 0.396 nan 8.240 nan 0.000 0.530 318 C N 0.841 120.116 119.300 -0.043 0.000 2.432 318 C HA 0.022 4.482 4.460 0.001 0.000 0.280 318 C C 2.751 177.724 174.990 -0.029 0.000 1.353 318 C CA 0.471 59.491 59.018 0.003 0.000 1.766 318 C CB -1.475 26.276 27.740 0.018 0.000 1.924 318 C HN 0.981 nan 8.230 nan 0.000 0.509 319 E N -0.298 119.885 120.200 -0.028 0.000 2.072 319 E HA -0.180 4.170 4.350 0.001 0.000 0.191 319 E C 1.667 178.243 176.600 -0.039 0.000 0.985 319 E CA 1.083 57.458 56.400 -0.041 0.000 0.801 319 E CB -0.322 29.359 29.700 -0.030 0.000 0.750 319 E HN 0.849 nan 8.360 nan 0.000 0.452 320 W N 1.317 122.493 121.300 -0.206 0.000 2.358 320 W HA -0.124 4.536 4.660 0.001 0.000 0.303 320 W C 2.160 178.548 176.519 -0.218 0.000 1.208 320 W CA 2.011 59.220 57.345 -0.228 0.000 1.274 320 W CB -0.350 28.925 29.460 -0.307 0.000 1.138 320 W HN 0.040 nan 8.180 nan 0.000 0.515 321 A N 0.309 122.981 122.820 -0.247 0.000 1.933 321 A HA -0.242 4.079 4.320 0.001 0.000 0.218 321 A C 1.983 179.332 177.584 -0.391 0.000 1.175 321 A CA 1.926 53.681 52.037 -0.471 0.000 0.628 321 A CB -1.069 17.873 19.000 -0.095 0.000 0.814 321 A HN 0.594 nan 8.150 nan 0.000 0.444 322 E N -0.124 119.919 120.200 -0.263 0.000 2.106 322 E HA -0.229 4.121 4.350 0.001 0.000 0.192 322 E C 1.933 178.384 176.600 -0.248 0.000 0.984 322 E CA 1.249 57.513 56.400 -0.227 0.000 0.806 322 E CB -0.219 29.380 29.700 -0.170 0.000 0.750 322 E HN 0.728 nan 8.360 nan 0.000 0.458 323 E N -0.142 119.887 120.200 -0.284 0.000 2.153 323 E HA -0.206 4.144 4.350 0.001 0.000 0.194 323 E C 1.798 178.208 176.600 -0.316 0.000 0.988 323 E CA 1.053 57.294 56.400 -0.265 0.000 0.811 323 E CB 0.184 29.736 29.700 -0.247 0.000 0.746 323 E HN 0.280 nan 8.360 nan 0.000 0.466 324 E N -0.005 119.914 120.200 -0.468 0.000 2.033 324 E HA -0.093 4.257 4.350 0.001 0.000 0.189 324 E C 2.230 178.685 176.600 -0.242 0.000 0.979 324 E CA 1.423 57.580 56.400 -0.405 0.000 0.802 324 E CB -0.109 29.192 29.700 -0.664 0.000 0.763 324 E HN 0.270 nan 8.360 nan 0.000 0.449 325 S N -1.272 114.285 115.700 -0.239 0.000 2.486 325 S HA 0.205 4.675 4.470 0.001 0.000 0.220 325 S C 1.682 176.195 174.600 -0.146 0.000 1.011 325 S CA 0.869 58.982 58.200 -0.146 0.000 0.921 325 S CB 0.657 63.792 63.200 -0.110 0.000 0.785 325 S HN 0.326 nan 8.310 nan 0.000 0.517 326 G N 0.576 109.271 108.800 -0.174 0.000 2.199 326 G HA2 -0.244 3.717 3.960 0.001 0.000 0.254 326 G HA3 -0.244 3.717 3.960 0.001 0.000 0.254 326 G C 0.067 174.848 174.900 -0.199 0.000 0.982 326 G CA 0.072 45.074 45.100 -0.164 0.000 0.632 326 G HN 0.747 nan 8.290 nan 0.000 0.529 327 V N 2.536 122.309 119.914 -0.236 0.000 2.488 327 V HA 0.391 4.512 4.120 0.001 0.000 0.277 327 V C -1.474 174.432 176.094 -0.314 0.000 1.046 327 V CA -1.365 60.733 62.300 -0.338 0.000 0.986 327 V CB 1.234 32.800 31.823 -0.429 0.000 0.989 327 V HN 0.112 nan 8.190 nan 0.000 0.475 328 P HA -0.009 nan 4.420 nan 0.000 0.261 328 P C 0.638 177.812 177.300 -0.209 0.000 1.173 328 P CA 0.427 63.392 63.100 -0.224 0.000 0.760 328 P CB 0.644 32.225 31.700 -0.198 0.000 0.783 329 A N 3.896 126.633 122.820 -0.138 0.000 1.908 329 A HA -0.259 4.061 4.320 0.001 0.000 0.218 329 A C 2.195 179.744 177.584 -0.058 0.000 1.181 329 A CA 2.064 54.046 52.037 -0.092 0.000 0.627 329 A CB -1.808 17.155 19.000 -0.062 0.000 0.818 329 A HN 0.758 nan 8.150 nan 0.000 0.445 330 C N -0.665 118.605 119.300 -0.050 0.000 2.425 330 C HA -0.077 4.383 4.460 0.001 0.000 0.277 330 C C 2.244 177.237 174.990 0.004 0.000 1.280 330 C CA 1.091 60.102 59.018 -0.010 0.000 1.744 330 C CB -1.549 26.187 27.740 -0.007 0.000 1.989 330 C HN 0.659 nan 8.230 nan 0.000 0.491 331 E N 1.208 121.374 120.200 -0.058 0.000 2.152 331 E HA -0.026 4.324 4.350 0.001 0.000 0.192 331 E C 2.135 178.759 176.600 0.040 0.000 0.983 331 E CA 1.178 57.564 56.400 -0.023 0.000 0.818 331 E CB -0.187 29.385 29.700 -0.214 0.000 0.758 331 E HN 0.727 nan 8.360 nan 0.000 0.467 332 I N 0.951 121.470 120.570 -0.084 0.000 2.179 332 I HA -0.262 3.908 4.170 0.001 0.000 0.242 332 I C 2.763 178.962 176.117 0.137 0.000 1.088 332 I CA 1.069 62.391 61.300 0.036 0.000 1.357 332 I CB -0.249 37.735 38.000 -0.026 0.000 1.051 332 I HN 0.011 nan 8.210 nan 0.000 0.409 333 R N 1.219 121.778 120.500 0.099 0.000 2.092 333 R HA -0.149 4.191 4.340 0.001 0.000 0.231 333 R C 2.381 178.786 176.300 0.174 0.000 1.119 333 R CA 1.466 57.643 56.100 0.129 0.000 0.970 333 R CB -0.204 30.157 30.300 0.101 0.000 0.864 333 R HN 0.354 nan 8.270 nan 0.000 0.440 334 A N 1.091 124.013 122.820 0.170 0.000 1.902 334 A HA -0.166 4.154 4.320 0.001 0.000 0.217 334 A C 2.008 179.743 177.584 0.251 0.000 1.181 334 A CA 1.244 53.395 52.037 0.190 0.000 0.623 334 A CB -0.594 18.508 19.000 0.169 0.000 0.818 334 A HN 0.386 nan 8.150 nan 0.000 0.443 335 L N -0.156 121.251 121.223 0.307 0.000 2.017 335 L HA -0.048 4.292 4.340 0.001 0.000 0.208 335 L C 2.667 179.818 176.870 0.468 0.000 1.073 335 L CA 2.255 57.312 54.840 0.362 0.000 0.745 335 L CB -0.962 41.345 42.059 0.414 0.000 0.894 335 L HN 0.345 nan 8.230 nan 0.000 0.432 336 A N -0.221 122.843 122.820 0.407 0.000 1.892 336 A HA -0.272 4.048 4.320 0.001 0.000 0.218 336 A C 2.439 180.409 177.584 0.643 0.000 1.188 336 A CA 2.163 54.467 52.037 0.445 0.000 0.631 336 A CB -0.636 18.438 19.000 0.123 0.000 0.822 336 A HN 0.530 nan 8.150 nan 0.000 0.447 337 R N -1.369 119.384 120.500 0.422 0.000 2.081 337 R HA -0.167 4.173 4.340 0.001 0.000 0.235 337 R C 2.528 179.022 176.300 0.323 0.000 1.131 337 R CA 1.684 57.993 56.100 0.349 0.000 0.960 337 R CB -0.266 30.177 30.300 0.238 0.000 0.856 337 R HN 0.656 nan 8.270 nan 0.000 0.436 338 Q N -0.069 119.924 119.800 0.321 0.000 2.079 338 Q HA -0.174 4.166 4.340 0.001 0.000 0.200 338 Q C 1.643 177.844 176.000 0.335 0.000 0.974 338 Q CA 1.329 57.291 55.803 0.265 0.000 0.840 338 Q CB -0.253 28.615 28.738 0.216 0.000 0.898 338 Q HN 0.388 nan 8.270 nan 0.000 0.430 339 W N 0.550 121.997 121.300 0.245 0.000 2.335 339 W HA -0.162 4.499 4.660 0.001 0.000 0.311 339 W C 1.978 178.566 176.519 0.116 0.000 1.213 339 W CA 2.209 59.710 57.345 0.260 0.000 1.274 339 W CB -0.959 28.807 29.460 0.511 0.000 1.148 339 W HN 0.292 nan 8.180 nan 0.000 0.498 340 A N 1.046 124.083 122.820 0.362 0.000 1.902 340 A HA -0.237 4.084 4.320 0.001 0.000 0.217 340 A C 2.032 179.619 177.584 0.005 0.000 1.181 340 A CA 2.514 54.504 52.037 -0.078 0.000 0.623 340 A CB -0.824 18.049 19.000 -0.212 0.000 0.818 340 A HN 0.489 nan 8.150 nan 0.000 0.443 341 K N -1.533 118.923 120.400 0.094 0.000 2.400 341 K HA 0.112 4.432 4.320 0.001 0.000 0.194 341 K C 0.074 176.715 176.600 0.067 0.000 1.033 341 K CA 0.249 56.574 56.287 0.063 0.000 1.021 341 K CB 0.196 32.741 32.500 0.075 0.000 0.808 341 K HN 0.062 nan 8.250 nan 0.000 0.505 342 K N 1.596 122.056 120.400 0.099 0.000 2.166 342 K HA 0.237 4.557 4.320 0.001 0.000 0.245 342 K C -0.738 175.902 176.600 0.067 0.000 0.967 342 K CA -0.923 55.413 56.287 0.083 0.000 0.863 342 K CB 1.082 33.637 32.500 0.091 0.000 1.107 342 K HN -0.043 nan 8.250 nan 0.000 0.436 343 N N 1.711 120.447 118.700 0.061 0.000 2.400 343 N HA 0.068 4.808 4.740 0.001 0.000 0.267 343 N C -0.827 174.706 175.510 0.038 0.000 1.208 343 N CA 0.426 53.495 53.050 0.031 0.000 0.951 343 N CB 0.182 38.728 38.487 0.097 0.000 1.227 343 N HN 0.284 nan 8.380 nan 0.000 0.488 344 T N 2.649 117.178 114.554 -0.041 0.000 2.807 344 T HA 0.350 4.701 4.350 0.001 0.000 0.279 344 T C -0.361 174.234 174.700 -0.175 0.000 0.993 344 T CA -0.384 61.659 62.100 -0.095 0.000 0.970 344 T CB 0.577 69.275 68.868 -0.282 0.000 0.950 344 T HN 0.183 nan 8.240 nan 0.000 0.441 345 Y N 1.892 122.154 120.300 -0.064 0.000 2.342 345 Y HA 0.553 5.104 4.550 0.001 0.000 0.334 345 Y C -0.043 175.775 175.900 -0.136 0.000 1.067 345 Y CA -1.321 56.785 58.100 0.010 0.000 1.128 345 Y CB 1.127 39.680 38.460 0.156 0.000 1.200 345 Y HN 0.409 nan 8.280 nan 0.000 0.464 346 L N 3.772 125.064 121.223 0.115 0.000 2.255 346 L HA 0.640 4.980 4.340 0.001 0.000 0.289 346 L C -0.063 176.829 176.870 0.037 0.000 1.046 346 L CA -0.589 54.296 54.840 0.076 0.000 0.816 346 L CB 0.317 42.569 42.059 0.322 0.000 1.197 346 L HN 0.692 nan 8.230 nan 0.000 0.427 347 A N 5.517 128.250 122.820 -0.145 0.000 3.015 347 A HA 0.715 5.035 4.320 0.001 0.000 0.293 347 A C 0.393 178.038 177.584 0.102 0.000 1.572 347 A CA -0.054 51.880 52.037 -0.172 0.000 1.274 347 A CB -0.618 18.009 19.000 -0.621 0.000 1.156 347 A HN 0.912 nan 8.150 nan 0.000 0.562 348 A N 1.710 124.646 122.820 0.193 0.000 2.309 348 A HA 0.669 4.989 4.320 0.001 0.000 0.290 348 A C 0.997 178.826 177.584 0.408 0.000 1.206 348 A CA 0.467 52.744 52.037 0.399 0.000 0.850 348 A CB -0.485 18.683 19.000 0.280 0.000 1.118 348 A HN 2.563 nan 8.150 nan 0.000 0.523 349 G N 1.391 110.522 108.800 0.552 0.000 2.787 349 G HA2 0.182 4.142 3.960 0.001 0.000 0.685 349 G HA3 0.182 4.142 3.960 0.001 0.000 0.685 349 G C 0.829 175.851 174.900 0.203 0.000 1.437 349 G CA -0.097 45.242 45.100 0.399 0.000 0.872 349 G HN 1.745 nan 8.290 nan 0.000 0.566 350 G N -1.001 107.889 108.800 0.150 0.000 2.623 350 G HA2 0.309 4.270 3.960 0.001 0.000 0.214 350 G HA3 0.309 4.270 3.960 0.001 0.000 0.214 350 G C 1.653 176.537 174.900 -0.027 0.000 1.138 350 G CA 1.603 46.741 45.100 0.064 0.000 0.794 350 G HN 1.239 nan 8.290 nan 0.000 0.535 351 L N -0.260 120.917 121.223 -0.077 0.000 2.408 351 L HA 0.502 4.843 4.340 0.001 0.000 0.215 351 L C 1.137 177.809 176.870 -0.330 0.000 1.081 351 L CA 1.426 56.093 54.840 -0.288 0.000 0.840 351 L CB 0.410 42.070 42.059 -0.665 0.000 1.002 351 L HN 0.275 nan 8.230 nan 0.000 0.468 352 G N -0.653 107.978 108.800 -0.282 0.000 2.740 352 G HA2 0.427 4.387 3.960 0.001 0.000 0.267 352 G HA3 0.427 4.387 3.960 0.001 0.000 0.267 352 G C 0.231 174.833 174.900 -0.497 0.000 0.971 352 G CA -0.324 44.609 45.100 -0.279 0.000 1.288 352 G HN 1.072 nan 8.290 nan 0.000 0.615 353 G N -0.106 108.391 108.800 -0.505 0.000 2.434 353 G HA2 0.469 4.429 3.960 0.001 0.000 0.671 353 G HA3 0.469 4.429 3.960 0.001 0.000 0.671 353 G C 0.289 174.983 174.900 -0.344 0.000 1.280 353 G CA 0.495 44.969 45.100 -1.042 0.000 0.975 353 G HN 2.044 nan 8.290 nan 0.000 0.510 354 W N -2.040 118.992 121.300 -0.448 0.000 3.206 354 W HA 0.351 5.012 4.660 0.001 0.000 0.318 354 W C 1.255 178.015 176.519 0.401 0.000 0.206 354 W CA 2.040 59.392 57.345 0.012 0.000 0.459 354 W CB -1.465 27.858 29.460 -0.229 0.000 2.523 354 W HN 3.070 nan 8.180 nan 0.000 0.418 355 G N -0.961 108.076 108.800 0.396 0.000 3.069 355 G HA2 0.474 4.435 3.960 0.001 0.000 0.686 355 G HA3 0.474 4.435 3.960 0.001 0.000 0.686 355 G C 0.469 175.377 174.900 0.014 0.000 1.161 355 G CA 0.566 45.801 45.100 0.225 0.000 0.804 355 G HN 1.816 nan 8.290 nan 0.000 0.608 356 G N 0.883 109.633 108.800 -0.083 0.000 2.475 356 G HA2 0.150 4.110 3.960 0.001 0.000 0.220 356 G HA3 0.150 4.110 3.960 0.001 0.000 0.220 356 G C 2.101 176.909 174.900 -0.154 0.000 1.125 356 G CA 2.569 47.618 45.100 -0.086 0.000 0.755 356 G HN 2.114 nan 8.290 nan 0.000 0.565 357 A N 0.330 122.914 122.820 -0.394 0.000 2.024 357 A HA -0.126 4.195 4.320 0.001 0.000 0.220 357 A C 2.627 179.916 177.584 -0.491 0.000 1.164 357 A CA 1.987 53.633 52.037 -0.652 0.000 0.643 357 A CB -1.005 17.049 19.000 -1.576 0.000 0.806 357 A HN 1.009 nan 8.150 nan 0.000 0.451 358 C N -0.190 119.004 119.300 -0.176 0.000 2.481 358 C HA 0.193 4.654 4.460 0.001 0.000 0.275 358 C C 1.505 176.529 174.990 0.056 0.000 1.419 358 C CA 0.249 59.320 59.018 0.088 0.000 1.773 358 C CB -1.135 26.828 27.740 0.372 0.000 1.862 358 C HN 0.603 nan 8.230 nan 0.000 0.530 359 R N 1.047 121.563 120.500 0.026 0.000 3.050 359 R HA 0.736 5.077 4.340 0.001 0.000 0.275 359 R C -0.453 175.851 176.300 0.006 0.000 1.373 359 R CA 0.271 56.403 56.100 0.053 0.000 1.612 359 R CB 0.174 30.518 30.300 0.074 0.000 1.218 359 R HN 0.452 nan 8.270 nan 0.000 0.621 360 A N 0.622 123.424 122.820 -0.030 0.000 2.588 360 A HA 0.395 4.716 4.320 0.001 0.000 0.290 360 A C 0.671 178.186 177.584 -0.115 0.000 1.136 360 A CA -0.430 51.581 52.037 -0.044 0.000 0.681 360 A CB 1.280 20.322 19.000 0.070 0.000 1.282 360 A HN 0.424 nan 8.150 nan 0.000 0.421 361 S N 0.154 115.660 115.700 -0.324 0.000 2.442 361 S HA -0.187 4.283 4.470 0.001 0.000 0.236 361 S C 1.096 175.540 174.600 -0.261 0.000 1.007 361 S CA 1.835 59.628 58.200 -0.680 0.000 0.965 361 S CB -0.574 61.623 63.200 -1.672 0.000 0.773 361 S HN 1.134 nan 8.310 nan 0.000 0.504 362 H N -0.376 118.524 119.070 -0.283 0.000 2.542 362 H HA 0.454 5.011 4.556 0.001 0.000 0.283 362 H C 1.626 176.848 175.328 -0.177 0.000 1.059 362 H CA 0.034 55.922 56.048 -0.265 0.000 1.162 362 H CB -0.984 28.599 29.762 -0.299 0.000 1.539 362 H HN 0.345 nan 8.280 nan 0.000 0.543 363 G N 1.847 110.449 108.800 -0.329 0.000 2.469 363 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 363 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 363 G C 1.682 176.485 174.900 -0.162 0.000 1.150 363 G CA 1.136 46.085 45.100 -0.251 0.000 0.763 363 G HN 0.425 nan 8.290 nan 0.000 0.561 364 I N 0.460 120.979 120.570 -0.084 0.000 2.179 364 I HA -0.119 4.051 4.170 0.001 0.000 0.242 364 I C 2.658 178.679 176.117 -0.160 0.000 1.088 364 I CA 1.119 62.382 61.300 -0.063 0.000 1.357 364 I CB -0.123 37.916 38.000 0.064 0.000 1.051 364 I HN 0.094 nan 8.210 nan 0.000 0.409 365 E N -0.256 119.873 120.200 -0.118 0.000 2.208 365 E HA -0.236 4.114 4.350 0.001 0.000 0.193 365 E C 1.640 178.156 176.600 -0.139 0.000 0.988 365 E CA 0.859 57.244 56.400 -0.025 0.000 0.828 365 E CB -0.403 29.347 29.700 0.084 0.000 0.763 365 E HN 0.601 nan 8.360 nan 0.000 0.478 366 W N 2.002 123.045 121.300 -0.428 0.000 2.379 366 W HA -0.106 4.554 4.660 0.001 0.000 0.307 366 W C 2.363 178.487 176.519 -0.658 0.000 1.200 366 W CA 2.263 59.330 57.345 -0.463 0.000 1.297 366 W CB -0.505 28.621 29.460 -0.558 0.000 1.140 366 W HN 0.037 nan 8.180 nan 0.000 0.507 367 A N 0.890 123.114 122.820 -0.993 0.000 1.877 367 A HA -0.196 4.124 4.320 0.001 0.000 0.216 367 A C 2.095 178.877 177.584 -1.338 0.000 1.186 367 A CA 1.910 52.936 52.037 -1.684 0.000 0.620 367 A CB -0.827 17.204 19.000 -1.615 0.000 0.822 367 A HN 0.391 nan 8.150 nan 0.000 0.443 368 R N -1.010 118.894 120.500 -0.994 0.000 2.115 368 R HA -0.096 4.244 4.340 0.001 0.000 0.230 368 R C 2.340 177.891 176.300 -1.249 0.000 1.111 368 R CA 1.022 56.479 56.100 -1.072 0.000 0.976 368 R CB -0.536 29.180 30.300 -0.973 0.000 0.870 368 R HN 0.552 nan 8.270 nan 0.000 0.445 369 G N 0.792 108.944 108.800 -1.080 0.000 2.408 369 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 369 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 369 G C 1.419 175.916 174.900 -0.671 0.000 1.150 369 G CA 0.288 44.994 45.100 -0.656 0.000 0.776 369 G HN 0.056 nan 8.290 nan 0.000 0.542 370 M N 0.386 119.423 119.600 -0.938 0.000 2.159 370 M HA 0.103 4.583 4.480 0.001 0.000 0.263 370 M C 2.584 178.581 176.300 -0.505 0.000 1.063 370 M CA 0.864 55.715 55.300 -0.749 0.000 1.110 370 M CB -0.918 31.107 32.600 -0.959 0.000 1.374 370 M HN 0.235 nan 8.290 nan 0.000 0.411 371 I N -0.006 120.135 120.570 -0.715 0.000 2.252 371 I HA -0.228 3.942 4.170 0.001 0.000 0.245 371 I C 2.613 178.447 176.117 -0.471 0.000 1.102 371 I CA 1.024 61.897 61.300 -0.713 0.000 1.385 371 I CB -0.599 36.738 38.000 -1.105 0.000 1.064 371 I HN 0.197 nan 8.210 nan 0.000 0.414 372 A N 0.913 123.407 122.820 -0.544 0.000 1.883 372 A HA -0.210 4.110 4.320 0.001 0.000 0.217 372 A C 2.171 179.771 177.584 0.028 0.000 1.186 372 A CA 1.625 53.474 52.037 -0.312 0.000 0.624 372 A CB -0.801 18.020 19.000 -0.298 0.000 0.822 372 A HN 0.279 nan 8.150 nan 0.000 0.444 373 L N -0.451 120.757 121.223 -0.026 0.000 2.017 373 L HA -0.120 4.221 4.340 0.001 0.000 0.208 373 L C 3.011 179.994 176.870 0.188 0.000 1.073 373 L CA 2.037 56.941 54.840 0.107 0.000 0.745 373 L CB -1.168 40.840 42.059 -0.086 0.000 0.894 373 L HN 0.410 nan 8.230 nan 0.000 0.432 374 A N -1.834 121.063 122.820 0.129 0.000 1.933 374 A HA -0.192 4.129 4.320 0.001 0.000 0.218 374 A C 2.336 179.970 177.584 0.083 0.000 1.175 374 A CA 2.196 54.327 52.037 0.156 0.000 0.628 374 A CB -0.917 18.172 19.000 0.149 0.000 0.814 374 A HN 0.450 nan 8.150 nan 0.000 0.444 375 T N -0.034 114.586 114.554 0.110 0.000 2.777 375 T HA -0.103 4.247 4.350 0.001 0.000 0.266 375 T C 1.907 176.657 174.700 0.085 0.000 1.040 375 T CA 1.660 63.870 62.100 0.184 0.000 1.141 375 T CB -0.293 68.757 68.868 0.305 0.000 0.868 375 T HN 0.437 nan 8.240 nan 0.000 0.444 376 M N 0.809 120.498 119.600 0.147 0.000 2.279 376 M HA -0.054 4.427 4.480 0.001 0.000 0.264 376 M C 1.881 178.141 176.300 -0.066 0.000 1.062 376 M CA 1.150 56.517 55.300 0.113 0.000 1.099 376 M CB -0.129 32.633 32.600 0.269 0.000 1.394 376 M HN 0.069 nan 8.290 nan 0.000 0.426 377 Q N -0.196 119.492 119.800 -0.187 0.000 2.320 377 Q HA 0.179 4.519 4.340 0.001 0.000 0.201 377 Q C 0.680 176.456 176.000 -0.373 0.000 0.910 377 Q CA 0.469 56.098 55.803 -0.290 0.000 0.946 377 Q CB 0.507 29.121 28.738 -0.207 0.000 1.062 377 Q HN 0.648 nan 8.270 nan 0.000 0.503 378 G N 2.768 111.160 108.800 -0.679 0.000 2.326 378 G HA2 -0.274 3.687 3.960 0.001 0.000 0.286 378 G HA3 -0.274 3.687 3.960 0.001 0.000 0.286 378 G C 0.237 174.673 174.900 -0.774 0.000 1.096 378 G CA 0.427 44.703 45.100 -1.372 0.000 1.003 378 G HN 0.430 nan 8.290 nan 0.000 0.503 379 M N -0.811 118.527 119.600 -0.438 0.000 2.248 379 M HA 0.461 4.941 4.480 0.001 0.000 0.343 379 M C 1.450 177.796 176.300 0.076 0.000 1.243 379 M CA 1.436 56.696 55.300 -0.067 0.000 1.025 379 M CB 0.819 33.485 32.600 0.109 0.000 1.759 379 M HN 1.679 nan 8.290 nan 0.000 0.452 380 G N 2.339 111.166 108.800 0.046 0.000 2.307 380 G HA2 -0.215 3.745 3.960 0.001 0.000 0.210 380 G HA3 -0.215 3.745 3.960 0.001 0.000 0.210 380 G C -0.018 174.903 174.900 0.035 0.000 1.005 380 G CA 0.091 45.235 45.100 0.074 0.000 0.634 380 G HN 1.031 nan 8.290 nan 0.000 0.496 381 K N 1.216 121.611 120.400 -0.008 0.000 2.126 381 K HA 0.598 4.918 4.320 0.001 0.000 0.257 381 K C -2.830 173.714 176.600 -0.094 0.000 1.007 381 K CA -1.676 54.586 56.287 -0.042 0.000 0.928 381 K CB 1.038 33.503 32.500 -0.058 0.000 1.013 381 K HN 0.042 nan 8.250 nan 0.000 0.473 382 P HA -0.035 nan 4.420 nan 0.000 0.262 382 P C 0.426 177.563 177.300 -0.272 0.000 1.182 382 P CA 1.274 64.214 63.100 -0.265 0.000 0.761 382 P CB 0.496 31.899 31.700 -0.494 0.000 0.795 383 G N 1.717 110.452 108.800 -0.109 0.000 2.176 383 G HA2 -0.214 3.746 3.960 0.001 0.000 0.253 383 G HA3 -0.214 3.746 3.960 0.001 0.000 0.253 383 G C 0.241 174.874 174.900 -0.445 0.000 0.979 383 G CA 0.221 45.272 45.100 -0.080 0.000 0.641 383 G HN 0.796 nan 8.290 nan 0.000 0.530 384 S N -0.099 115.302 115.700 -0.499 0.000 2.720 384 S HA 0.682 5.153 4.470 0.001 0.000 0.278 384 S C -0.849 173.528 174.600 -0.371 0.000 1.172 384 S CA -0.037 57.865 58.200 -0.496 0.000 1.019 384 S CB 1.243 64.284 63.200 -0.264 0.000 1.049 384 S HN 0.709 nan 8.310 nan 0.000 0.483 385 N N 2.537 121.022 118.700 -0.358 0.000 3.356 385 N HA 0.278 5.019 4.740 0.001 0.000 0.246 385 N C -1.869 173.740 175.510 0.164 0.000 1.480 385 N CA -0.523 52.522 53.050 -0.008 0.000 0.877 385 N CB 1.433 39.995 38.487 0.124 0.000 1.431 385 N HN 0.671 nan 8.380 nan 0.000 0.500 386 M N 1.587 121.316 119.600 0.215 0.000 2.080 386 M HA 0.392 4.872 4.480 0.001 0.000 0.350 386 M C -1.650 174.830 176.300 0.300 0.000 1.173 386 M CA -0.478 54.958 55.300 0.227 0.000 1.052 386 M CB 0.556 33.266 32.600 0.183 0.000 1.577 386 M HN 0.519 nan 8.290 nan 0.000 0.455 387 W N 3.408 124.748 121.300 0.067 0.000 3.405 387 W HA 0.380 5.040 4.660 0.001 0.000 0.329 387 W C -1.057 175.407 176.519 -0.091 0.000 1.142 387 W CA -0.595 56.743 57.345 -0.012 0.000 1.235 387 W CB 1.594 31.068 29.460 0.024 0.000 1.341 387 W HN 0.514 nan 8.180 nan 0.000 0.481 388 S N 2.346 117.807 115.700 -0.398 0.000 2.577 388 S HA 0.025 4.495 4.470 0.001 0.000 0.219 388 S C 1.426 175.608 174.600 -0.698 0.000 0.962 388 S CA 0.921 58.852 58.200 -0.449 0.000 0.921 388 S CB -0.043 63.043 63.200 -0.190 0.000 0.789 388 S HN 1.027 nan 8.310 nan 0.000 0.497 389 T N -1.233 112.363 114.554 -1.597 0.000 7.578 389 T HA -0.287 4.064 4.350 0.001 0.000 0.299 389 T C 1.113 175.523 174.700 -0.483 0.000 2.097 389 T CA 2.054 63.282 62.100 -1.455 0.000 3.248 389 T CB -2.671 65.638 68.868 -0.932 0.000 2.014 389 T HN 0.566 nan 8.240 nan 0.000 1.198 390 T N -2.390 111.976 114.554 -0.314 0.000 3.040 390 T HA 0.345 4.696 4.350 0.001 0.000 0.252 390 T C 0.939 175.608 174.700 -0.052 0.000 1.064 390 T CA 0.371 62.386 62.100 -0.143 0.000 1.110 390 T CB 0.236 69.015 68.868 -0.148 0.000 0.921 390 T HN 0.793 nan 8.240 nan 0.000 0.480 391 Q N -0.040 119.767 119.800 0.012 0.000 2.527 391 Q HA 0.562 4.902 4.340 0.001 0.000 0.220 391 Q C 0.777 176.898 176.000 0.201 0.000 1.014 391 Q CA -0.475 55.344 55.803 0.027 0.000 0.978 391 Q CB 1.175 29.849 28.738 -0.108 0.000 1.245 391 Q HN 0.407 nan 8.270 nan 0.000 0.513 392 G N -0.599 108.229 108.800 0.046 0.000 2.175 392 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 392 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 392 G C 0.026 174.916 174.900 -0.016 0.000 0.982 392 G CA 0.049 45.156 45.100 0.012 0.000 0.641 392 G HN 0.331 nan 8.290 nan 0.000 0.527 393 V N 2.461 122.360 119.914 -0.025 0.000 2.673 393 V HA 0.283 4.404 4.120 0.001 0.000 0.303 393 V C -0.569 175.370 176.094 -0.258 0.000 1.046 393 V CA -0.130 62.034 62.300 -0.227 0.000 1.126 393 V CB 1.135 32.869 31.823 -0.148 0.000 0.934 393 V HN 0.269 nan 8.190 nan 0.000 0.487 394 P HA 0.164 nan 4.420 nan 0.000 0.228 394 P C -0.119 176.896 177.300 -0.476 0.000 1.748 394 P CA 0.015 62.828 63.100 -0.478 0.000 0.909 394 P CB -0.020 31.419 31.700 -0.436 0.000 1.882 395 L N -0.088 120.906 121.223 -0.382 0.000 2.479 395 L HA 0.269 4.610 4.340 0.001 0.000 0.248 395 L C 1.108 177.801 176.870 -0.295 0.000 1.205 395 L CA -0.474 54.274 54.840 -0.153 0.000 0.817 395 L CB 0.035 42.183 42.059 0.147 0.000 1.162 395 L HN -0.036 nan 8.230 nan 0.000 0.486 396 D N -0.576 119.789 120.400 -0.057 0.000 2.416 396 D HA 0.039 4.679 4.640 0.001 0.000 0.240 396 D C 0.714 177.150 176.300 0.226 0.000 1.250 396 D CA 0.300 54.309 54.000 0.016 0.000 0.967 396 D CB 0.094 40.953 40.800 0.098 0.000 1.059 396 D HN 0.287 nan 8.370 nan 0.000 0.512 397 Y N 1.390 121.890 120.300 0.333 0.000 2.497 397 Y HA -0.104 4.446 4.550 0.001 0.000 0.292 397 Y C 1.986 178.099 175.900 0.355 0.000 1.137 397 Y CA 0.254 58.607 58.100 0.422 0.000 1.285 397 Y CB 0.242 38.892 38.460 0.317 0.000 0.991 397 Y HN 0.401 nan 8.280 nan 0.000 0.556 398 E N 0.124 120.564 120.200 0.399 0.000 2.208 398 E HA -0.129 4.221 4.350 0.001 0.000 0.193 398 E C 0.123 176.932 176.600 0.348 0.000 0.988 398 E CA 0.079 56.668 56.400 0.315 0.000 0.828 398 E CB -0.020 29.818 29.700 0.231 0.000 0.763 398 E HN 0.227 nan 8.360 nan 0.000 0.478 399 F N 1.151 121.247 119.950 0.243 0.000 2.495 399 F HA 0.103 4.631 4.527 0.001 0.000 0.365 399 F C -0.443 175.528 175.800 0.286 0.000 1.090 399 F CA -0.571 57.574 58.000 0.241 0.000 1.235 399 F CB 0.375 39.486 39.000 0.186 0.000 1.119 399 F HN -0.152 nan 8.300 nan 0.000 0.562 400 Y N 7.919 127.905 120.300 -0.523 0.000 2.331 400 Y HA 0.489 5.039 4.550 0.001 0.000 0.338 400 Y C -1.877 173.805 175.900 -0.362 0.000 0.976 400 Y CA -1.488 56.443 58.100 -0.281 0.000 1.137 400 Y CB 0.817 39.187 38.460 -0.151 0.000 1.172 400 Y HN 0.559 nan 8.280 nan 0.000 0.478 401 F N 8.989 128.398 119.950 -0.901 0.000 2.607 401 F HA 0.572 5.100 4.527 0.001 0.000 0.322 401 F C -2.747 172.605 175.800 -0.748 0.000 1.176 401 F CA -2.542 55.026 58.000 -0.720 0.000 0.977 401 F CB 1.691 40.584 39.000 -0.178 0.000 1.242 401 F HN 0.378 nan 8.300 nan 0.000 0.465 402 P HA 0.289 nan 4.420 nan 0.000 0.271 402 P C -0.241 176.873 177.300 -0.309 0.000 1.218 402 P CA -0.044 62.606 63.100 -0.751 0.000 0.780 402 P CB 0.852 31.805 31.700 -1.246 0.000 0.901 403 G N 0.768 109.454 108.800 -0.190 0.000 2.488 403 G HA2 0.306 4.267 3.960 0.001 0.000 0.318 403 G HA3 0.306 4.267 3.960 0.001 0.000 0.318 403 G C 0.229 174.913 174.900 -0.359 0.000 1.188 403 G CA -0.602 44.372 45.100 -0.211 0.000 0.944 403 G HN 0.559 nan 8.290 nan 0.000 0.495 404 Y N -1.218 118.829 120.300 -0.422 0.000 2.333 404 Y HA 0.054 4.605 4.550 0.001 0.000 0.290 404 Y C 2.403 177.968 175.900 -0.558 0.000 1.144 404 Y CA 0.983 58.723 58.100 -0.600 0.000 1.228 404 Y CB -0.754 36.971 38.460 -1.226 0.000 0.985 404 Y HN 0.342 nan 8.280 nan 0.000 0.542 405 A N 0.910 123.244 122.820 -0.810 0.000 2.216 405 A HA -0.089 4.231 4.320 0.001 0.000 0.214 405 A C 1.676 179.109 177.584 -0.252 0.000 1.160 405 A CA 0.979 52.602 52.037 -0.690 0.000 0.725 405 A CB -0.728 17.738 19.000 -0.889 0.000 0.784 405 A HN 0.660 nan 8.150 nan 0.000 0.472 406 E N -1.079 119.036 120.200 -0.142 0.000 2.403 406 E HA 0.275 4.625 4.350 0.001 0.000 0.187 406 E C 1.217 177.933 176.600 0.192 0.000 1.073 406 E CA 0.211 56.649 56.400 0.064 0.000 0.888 406 E CB -0.192 29.542 29.700 0.056 0.000 1.035 406 E HN 0.687 nan 8.360 nan 0.000 0.471 407 G N 0.665 109.590 108.800 0.209 0.000 2.253 407 G HA2 -0.379 3.582 3.960 0.001 0.000 0.251 407 G HA3 -0.379 3.582 3.960 0.001 0.000 0.251 407 G C 0.936 176.043 174.900 0.346 0.000 0.998 407 G CA -0.009 45.284 45.100 0.321 0.000 0.621 407 G HN 0.699 nan 8.290 nan 0.000 0.524 408 G N 0.816 109.837 108.800 0.367 0.000 2.690 408 G HA2 -0.302 3.658 3.960 0.001 0.000 0.334 408 G HA3 -0.302 3.658 3.960 0.001 0.000 0.334 408 G C 1.369 176.541 174.900 0.453 0.000 1.250 408 G CA 2.523 47.908 45.100 0.474 0.000 0.994 408 G HN 1.993 nan 8.290 nan 0.000 0.549 409 I N -0.085 120.590 120.570 0.175 0.000 3.793 409 I HA 0.360 4.531 4.170 0.001 0.000 0.315 409 I C 2.230 178.421 176.117 0.123 0.000 1.275 409 I CA 1.441 62.722 61.300 -0.032 0.000 1.214 409 I CB 0.235 37.766 38.000 -0.781 0.000 1.018 409 I HN 0.481 nan 8.210 nan 0.000 0.439 410 S N 1.027 116.846 115.700 0.199 0.000 2.439 410 S HA 0.188 4.659 4.470 0.001 0.000 0.224 410 S C 1.928 176.560 174.600 0.053 0.000 1.029 410 S CA 0.627 58.911 58.200 0.139 0.000 0.946 410 S CB -0.539 62.782 63.200 0.202 0.000 0.797 410 S HN 0.739 nan 8.310 nan 0.000 0.504 411 G N 1.800 110.701 108.800 0.168 0.000 2.180 411 G HA2 -0.283 3.678 3.960 0.001 0.000 0.263 411 G HA3 -0.283 3.678 3.960 0.001 0.000 0.263 411 G C -0.150 174.676 174.900 -0.125 0.000 0.989 411 G CA 0.431 45.514 45.100 -0.029 0.000 0.692 411 G HN 0.679 nan 8.290 nan 0.000 0.526 412 D N 0.012 120.388 120.400 -0.039 0.000 2.346 412 D HA 0.235 4.876 4.640 0.001 0.000 0.267 412 D C 1.463 177.726 176.300 -0.062 0.000 1.320 412 D CA -0.052 53.888 54.000 -0.099 0.000 0.951 412 D CB -0.140 40.565 40.800 -0.158 0.000 1.079 412 D HN 0.193 nan 8.370 nan 0.000 0.509 413 C N 2.979 122.223 119.300 -0.093 0.000 2.539 413 C HA 0.029 4.489 4.460 0.001 0.000 0.271 413 C C 2.022 177.010 174.990 -0.002 0.000 1.412 413 C CA -0.084 58.904 59.018 -0.049 0.000 1.729 413 C CB -0.927 26.761 27.740 -0.086 0.000 1.739 413 C HN 0.735 nan 8.230 nan 0.000 0.570 414 E N 0.486 120.659 120.200 -0.045 0.000 2.413 414 E HA 0.052 4.402 4.350 0.001 0.000 0.203 414 E C 1.262 177.840 176.600 -0.038 0.000 0.957 414 E CA 0.375 56.755 56.400 -0.032 0.000 0.950 414 E CB 0.108 29.763 29.700 -0.074 0.000 0.957 414 E HN 0.513 nan 8.360 nan 0.000 0.497 415 N N 0.548 119.186 118.700 -0.103 0.000 2.187 415 N HA 0.071 4.811 4.740 0.001 0.000 0.212 415 N C -0.512 175.113 175.510 0.191 0.000 1.152 415 N CA 0.450 53.443 53.050 -0.096 0.000 0.872 415 N CB 1.527 39.663 38.487 -0.586 0.000 1.025 415 N HN 0.115 nan 8.380 nan 0.000 0.514 416 S N -1.268 114.561 115.700 0.215 0.000 2.671 416 S HA 0.647 5.117 4.470 0.001 0.000 0.277 416 S C -0.393 174.350 174.600 0.239 0.000 1.165 416 S CA -0.676 57.723 58.200 0.333 0.000 0.822 416 S CB 1.709 65.124 63.200 0.359 0.000 1.150 416 S HN -0.044 nan 8.310 nan 0.000 0.479 417 A N 0.043 122.996 122.820 0.221 0.000 2.532 417 A HA 0.710 5.031 4.320 0.001 0.000 0.273 417 A C 1.674 179.419 177.584 0.268 0.000 1.342 417 A CA 0.341 52.542 52.037 0.274 0.000 0.929 417 A CB -1.310 17.885 19.000 0.326 0.000 1.051 417 A HN 1.369 nan 8.150 nan 0.000 0.521 418 A N -0.158 122.775 122.820 0.188 0.000 1.972 418 A HA 0.074 4.395 4.320 0.001 0.000 0.219 418 A C 2.214 179.766 177.584 -0.054 0.000 1.169 418 A CA 1.722 53.836 52.037 0.128 0.000 0.635 418 A CB -0.907 18.153 19.000 0.099 0.000 0.810 418 A HN 0.780 nan 8.150 nan 0.000 0.446 419 G N -1.579 107.206 108.800 -0.026 0.000 2.470 419 G HA2 -0.194 3.767 3.960 0.001 0.000 0.220 419 G HA3 -0.194 3.767 3.960 0.001 0.000 0.220 419 G C 1.332 176.357 174.900 0.208 0.000 1.121 419 G CA 1.023 46.100 45.100 -0.038 0.000 0.766 419 G HN 0.481 nan 8.290 nan 0.000 0.553 420 F N 0.538 120.496 119.950 0.013 0.000 2.084 420 F HA 0.121 4.648 4.527 0.001 0.000 0.296 420 F C 2.269 178.035 175.800 -0.058 0.000 1.111 420 F CA 2.170 60.090 58.000 -0.132 0.000 1.224 420 F CB 0.222 38.874 39.000 -0.580 0.000 0.991 420 F HN 0.176 nan 8.300 nan 0.000 0.471 421 K N -3.157 117.233 120.400 -0.017 0.000 3.019 421 K HA -0.033 4.288 4.320 0.001 0.000 0.192 421 K C 1.828 178.447 176.600 0.031 0.000 1.680 421 K CA 0.132 56.385 56.287 -0.057 0.000 1.375 421 K CB -0.873 31.410 32.500 -0.361 0.000 1.968 421 K HN 0.063 nan 8.250 nan 0.000 0.624 422 F N 2.753 122.680 119.950 -0.038 0.000 2.095 422 F HA -0.062 4.465 4.527 0.001 0.000 0.298 422 F C 2.003 177.704 175.800 -0.164 0.000 1.104 422 F CA 1.996 59.965 58.000 -0.050 0.000 1.232 422 F CB -0.475 38.528 39.000 0.004 0.000 0.987 422 F HN 0.201 nan 8.300 nan 0.000 0.475 423 A N -0.251 122.368 122.820 -0.334 0.000 1.917 423 A HA -0.273 4.047 4.320 0.001 0.000 0.219 423 A C 2.148 179.475 177.584 -0.429 0.000 1.182 423 A CA 1.971 53.755 52.037 -0.421 0.000 0.633 423 A CB -1.850 16.730 19.000 -0.701 0.000 0.819 423 A HN 0.663 nan 8.150 nan 0.000 0.448 424 W N -0.744 120.488 121.300 -0.113 0.000 2.421 424 W HA -0.060 4.600 4.660 0.001 0.000 0.270 424 W C 2.514 178.901 176.519 -0.219 0.000 1.233 424 W CA 0.845 58.100 57.345 -0.151 0.000 1.226 424 W CB -0.098 29.252 29.460 -0.184 0.000 1.121 424 W HN 0.242 nan 8.180 nan 0.000 0.579 425 R N -0.904 119.491 120.500 -0.176 0.000 2.128 425 R HA 0.053 4.393 4.340 0.001 0.000 0.211 425 R C 2.056 178.071 176.300 -0.474 0.000 1.067 425 R CA 0.888 56.824 56.100 -0.274 0.000 1.010 425 R CB -0.489 29.666 30.300 -0.242 0.000 0.922 425 R HN 0.124 nan 8.270 nan 0.000 0.457 426 M N 0.056 119.150 119.600 -0.842 0.000 2.200 426 M HA 0.047 4.527 4.480 0.001 0.000 0.265 426 M C -0.371 175.351 176.300 -0.963 0.000 1.066 426 M CA 1.597 56.250 55.300 -1.079 0.000 1.127 426 M CB 0.363 31.964 32.600 -1.666 0.000 1.379 426 M HN -0.175 nan 8.290 nan 0.000 0.420 427 F N 0.185 119.950 119.950 -0.308 0.000 2.480 427 F HA 0.302 4.830 4.527 0.001 0.000 0.329 427 F C 0.626 176.303 175.800 -0.204 0.000 1.091 427 F CA -0.953 56.905 58.000 -0.237 0.000 0.972 427 F CB 0.997 39.868 39.000 -0.215 0.000 1.150 427 F HN 0.150 nan 8.300 nan 0.000 0.467 428 D N -0.670 119.681 120.400 -0.082 0.000 2.433 428 D HA 0.180 4.821 4.640 0.001 0.000 0.211 428 D C 1.474 177.700 176.300 -0.124 0.000 1.114 428 D CA 0.207 54.144 54.000 -0.106 0.000 0.837 428 D CB 0.313 41.029 40.800 -0.140 0.000 0.984 428 D HN 0.775 nan 8.370 nan 0.000 0.505 429 G N 0.694 109.372 108.800 -0.203 0.000 2.203 429 G HA2 -0.394 3.567 3.960 0.001 0.000 0.263 429 G HA3 -0.394 3.567 3.960 0.001 0.000 0.263 429 G C 0.843 175.666 174.900 -0.128 0.000 1.012 429 G CA 1.128 46.144 45.100 -0.140 0.000 0.749 429 G HN 0.494 nan 8.290 nan 0.000 0.512 430 K N -2.317 117.884 120.400 -0.332 0.000 2.606 430 K HA 0.146 4.467 4.320 0.001 0.000 0.199 430 K C 2.376 178.908 176.600 -0.113 0.000 1.403 430 K CA 0.916 57.137 56.287 -0.109 0.000 1.011 430 K CB 0.164 32.622 32.500 -0.070 0.000 1.623 430 K HN 0.367 nan 8.250 nan 0.000 0.512 431 T N -2.155 112.232 114.554 -0.279 0.000 2.964 431 T HA 0.090 4.441 4.350 0.001 0.000 0.249 431 T C 0.672 175.271 174.700 -0.168 0.000 1.000 431 T CA 0.105 62.131 62.100 -0.123 0.000 0.992 431 T CB 0.684 69.495 68.868 -0.096 0.000 1.087 431 T HN -0.008 nan 8.240 nan 0.000 0.489 432 T N 1.188 115.487 114.554 -0.425 0.000 2.848 432 T HA 0.670 5.020 4.350 0.001 0.000 0.285 432 T C -1.976 172.572 174.700 -0.253 0.000 0.995 432 T CA -0.764 61.257 62.100 -0.132 0.000 0.970 432 T CB 0.687 69.538 68.868 -0.028 0.000 0.976 432 T HN 0.175 nan 8.240 nan 0.000 0.441 433 F N 4.204 124.349 119.950 0.324 0.000 2.563 433 F HA 0.615 5.142 4.527 0.001 0.000 0.316 433 F C -2.219 173.449 175.800 -0.220 0.000 1.076 433 F CA -2.439 55.610 58.000 0.081 0.000 0.921 433 F CB 1.422 40.428 39.000 0.011 0.000 1.209 433 F HN 0.354 nan 8.300 nan 0.000 0.462 434 P HA 0.167 nan 4.420 nan 0.000 0.274 434 P C -0.849 176.297 177.300 -0.255 0.000 1.246 434 P CA -0.527 62.086 63.100 -0.812 0.000 0.795 434 P CB 0.921 32.079 31.700 -0.903 0.000 1.006 435 S N 1.059 116.647 115.700 -0.187 0.000 2.516 435 S HA 0.495 4.966 4.470 0.001 0.000 0.268 435 S C -2.626 171.904 174.600 -0.115 0.000 1.251 435 S CA -1.771 56.376 58.200 -0.088 0.000 1.153 435 S CB -0.511 62.678 63.200 -0.018 0.000 1.009 435 S HN 0.148 nan 8.310 nan 0.000 0.479 436 P HA 0.348 nan 4.420 nan 0.000 0.276 436 P C -1.055 176.179 177.300 -0.111 0.000 1.252 436 P CA -0.527 62.498 63.100 -0.124 0.000 0.802 436 P CB 1.038 32.675 31.700 -0.104 0.000 1.035 437 S N 0.984 116.607 115.700 -0.129 0.000 2.519 437 S HA 0.301 4.771 4.470 0.001 0.000 0.309 437 S C 0.630 175.169 174.600 -0.102 0.000 1.100 437 S CA -0.668 57.464 58.200 -0.114 0.000 1.059 437 S CB -0.032 63.074 63.200 -0.157 0.000 1.008 437 S HN 0.445 nan 8.310 nan 0.000 0.478 438 N N 5.446 124.108 118.700 -0.063 0.000 2.280 438 N HA 0.112 4.852 4.740 0.001 0.000 0.192 438 N C 0.841 176.331 175.510 -0.034 0.000 1.109 438 N CA 0.149 53.179 53.050 -0.033 0.000 0.855 438 N CB -0.105 38.384 38.487 0.003 0.000 0.974 438 N HN 0.590 nan 8.380 nan 0.000 0.482 439 L N -0.911 120.249 121.223 -0.104 0.000 2.547 439 L HA 0.208 4.549 4.340 0.001 0.000 0.218 439 L C 0.463 177.178 176.870 -0.259 0.000 1.048 439 L CA 0.041 54.771 54.840 -0.184 0.000 0.859 439 L CB -0.160 41.769 42.059 -0.216 0.000 1.128 439 L HN 0.020 nan 8.230 nan 0.000 0.483 440 N N 1.352 119.862 118.700 -0.316 0.000 3.245 440 N HA 0.059 4.799 4.740 0.001 0.000 0.296 440 N C -0.606 174.777 175.510 -0.211 0.000 1.254 440 N CA 0.380 53.236 53.050 -0.323 0.000 1.190 440 N CB 0.009 38.205 38.487 -0.484 0.000 1.460 440 N HN 0.052 nan 8.380 nan 0.000 0.538 441 T N -1.062 113.411 114.554 -0.134 0.000 2.821 441 T HA 0.253 4.603 4.350 0.001 0.000 0.306 441 T C 0.933 175.628 174.700 -0.008 0.000 1.313 441 T CA -0.478 61.572 62.100 -0.084 0.000 1.012 441 T CB 0.882 69.713 68.868 -0.062 0.000 1.298 441 T HN 0.098 nan 8.240 nan 0.000 0.502 442 S N 1.171 116.884 115.700 0.021 0.000 2.374 442 S HA -0.090 4.381 4.470 0.001 0.000 0.227 442 S C 2.025 176.753 174.600 0.212 0.000 1.037 442 S CA 1.696 60.001 58.200 0.174 0.000 1.024 442 S CB -0.476 62.755 63.200 0.051 0.000 0.861 442 S HN 0.820 nan 8.310 nan 0.000 0.456 443 A N 0.622 123.506 122.820 0.107 0.000 2.238 443 A HA 0.459 4.779 4.320 0.001 0.000 0.208 443 A C 1.325 179.024 177.584 0.192 0.000 1.177 443 A CA 0.746 52.862 52.037 0.133 0.000 0.804 443 A CB -0.455 18.596 19.000 0.085 0.000 0.823 443 A HN 0.486 nan 8.150 nan 0.000 0.482 444 G N -0.913 107.957 108.800 0.117 0.000 3.182 444 G HA2 0.460 4.421 3.960 0.001 0.000 0.167 444 G HA3 0.460 4.421 3.960 0.001 0.000 0.167 444 G C -0.206 174.584 174.900 -0.184 0.000 1.537 444 G CA -0.071 45.006 45.100 -0.039 0.000 1.046 444 G HN 0.404 nan 8.290 nan 0.000 0.580 445 Q N -0.477 119.100 119.800 -0.370 0.000 2.315 445 Q HA 0.450 4.790 4.340 0.001 0.000 0.273 445 Q C -1.555 174.450 176.000 0.008 0.000 1.053 445 Q CA -0.916 54.785 55.803 -0.171 0.000 0.817 445 Q CB 1.816 30.322 28.738 -0.387 0.000 1.326 445 Q HN 0.917 nan 8.270 nan 0.000 0.423 446 H N 3.002 122.111 119.070 0.065 0.000 2.990 446 H HA 0.671 5.227 4.556 0.001 0.000 0.336 446 H C -1.372 174.032 175.328 0.127 0.000 1.306 446 H CA -0.830 55.238 56.048 0.033 0.000 1.118 446 H CB 1.247 31.018 29.762 0.014 0.000 1.856 446 H HN 0.741 nan 8.280 nan 0.000 0.538 447 I N -1.946 118.431 120.570 -0.322 0.000 2.865 447 I HA 0.579 4.749 4.170 0.001 0.000 0.302 447 I C -3.221 172.546 176.117 -0.584 0.000 1.140 447 I CA -2.874 58.027 61.300 -0.665 0.000 1.021 447 I CB 2.938 40.530 38.000 -0.680 0.000 1.233 447 I HN 0.174 nan 8.210 nan 0.000 0.427 448 P HA 0.231 nan 4.420 nan 0.000 0.276 448 P C 0.128 177.235 177.300 -0.322 0.000 1.235 448 P CA -0.346 62.466 63.100 -0.479 0.000 0.772 448 P CB 1.025 32.395 31.700 -0.550 0.000 0.871 449 R N 3.502 123.914 120.500 -0.147 0.000 2.105 449 R HA -0.119 4.221 4.340 0.001 0.000 0.239 449 R C 1.491 177.721 176.300 -0.117 0.000 1.135 449 R CA 1.510 57.549 56.100 -0.102 0.000 0.967 449 R CB -0.635 29.651 30.300 -0.022 0.000 0.861 449 R HN 0.445 nan 8.270 nan 0.000 0.442 450 L N 0.294 121.460 121.223 -0.096 0.000 2.362 450 L HA -0.074 4.266 4.340 0.001 0.000 0.219 450 L C 1.186 177.896 176.870 -0.267 0.000 1.134 450 L CA 0.934 55.727 54.840 -0.079 0.000 0.807 450 L CB 0.005 42.085 42.059 0.035 0.000 0.927 450 L HN 0.052 nan 8.230 nan 0.000 0.447 451 K N -0.395 119.740 120.400 -0.441 0.000 2.564 451 K HA 0.305 4.626 4.320 0.001 0.000 0.205 451 K C 1.359 177.518 176.600 -0.734 0.000 1.053 451 K CA -0.031 55.815 56.287 -0.736 0.000 1.072 451 K CB 0.729 32.516 32.500 -1.188 0.000 0.822 451 K HN 0.200 nan 8.250 nan 0.000 0.497 452 I N 1.628 121.846 120.570 -0.587 0.000 2.208 452 I HA -0.213 3.957 4.170 0.001 0.000 0.245 452 I C -0.858 174.879 176.117 -0.633 0.000 1.097 452 I CA 1.396 62.349 61.300 -0.578 0.000 1.363 452 I CB -1.082 36.681 38.000 -0.394 0.000 1.051 452 I HN 0.039 nan 8.210 nan 0.000 0.413 453 P HA -0.168 nan 4.420 nan 0.000 0.215 453 P C 1.283 178.276 177.300 -0.510 0.000 1.157 453 P CA 1.414 64.123 63.100 -0.653 0.000 0.868 453 P CB 0.041 31.277 31.700 -0.773 0.000 0.788 454 E N -1.126 118.753 120.200 -0.535 0.000 2.077 454 E HA -0.144 4.206 4.350 0.001 0.000 0.193 454 E C 2.136 178.536 176.600 -0.333 0.000 0.989 454 E CA 1.067 57.214 56.400 -0.423 0.000 0.800 454 E CB -1.485 27.887 29.700 -0.545 0.000 0.746 454 E HN 0.228 nan 8.360 nan 0.000 0.452 455 C N 0.198 119.237 119.300 -0.435 0.000 2.429 455 C HA -0.054 4.406 4.460 0.001 0.000 0.277 455 C C 2.551 177.410 174.990 -0.219 0.000 1.262 455 C CA 0.356 59.181 59.018 -0.320 0.000 1.733 455 C CB -0.846 26.431 27.740 -0.771 0.000 2.010 455 C HN 0.373 nan 8.230 nan 0.000 0.483 456 I N 0.325 120.675 120.570 -0.368 0.000 2.193 456 I HA -0.214 3.956 4.170 0.001 0.000 0.240 456 I C 2.520 178.318 176.117 -0.532 0.000 1.084 456 I CA 1.678 62.761 61.300 -0.361 0.000 1.365 456 I CB -0.367 37.398 38.000 -0.391 0.000 1.064 456 I HN 0.320 nan 8.210 nan 0.000 0.410 457 M N -0.111 119.167 119.600 -0.536 0.000 2.288 457 M HA 0.015 4.495 4.480 0.001 0.000 0.266 457 M C 2.148 178.259 176.300 -0.314 0.000 1.072 457 M CA 1.563 56.486 55.300 -0.628 0.000 1.132 457 M CB -0.464 31.954 32.600 -0.303 0.000 1.386 457 M HN 0.303 nan 8.290 nan 0.000 0.432 458 G N -0.884 107.807 108.800 -0.181 0.000 2.595 458 G HA2 0.264 4.224 3.960 0.001 0.000 0.213 458 G HA3 0.264 4.224 3.960 0.001 0.000 0.213 458 G C 1.187 176.096 174.900 0.014 0.000 1.141 458 G CA 0.564 45.636 45.100 -0.047 0.000 0.806 458 G HN 0.579 nan 8.290 nan 0.000 0.530 459 G N -0.667 108.154 108.800 0.034 0.000 2.148 459 G HA2 -0.260 3.700 3.960 0.001 0.000 0.254 459 G HA3 -0.260 3.700 3.960 0.001 0.000 0.254 459 G C 0.120 175.111 174.900 0.152 0.000 0.981 459 G CA 0.946 46.115 45.100 0.116 0.000 0.670 459 G HN 0.830 nan 8.290 nan 0.000 0.528 460 K N -1.534 119.021 120.400 0.257 0.000 2.598 460 K HA 0.684 5.005 4.320 0.001 0.000 0.271 460 K C -2.011 174.881 176.600 0.486 0.000 0.947 460 K CA -0.959 55.508 56.287 0.300 0.000 0.854 460 K CB 1.400 33.986 32.500 0.144 0.000 1.401 460 K HN 0.416 nan 8.250 nan 0.000 0.415 461 F N 1.218 121.372 119.950 0.341 0.000 2.744 461 F HA 0.385 4.912 4.527 0.001 0.000 0.311 461 F C -1.879 174.221 175.800 0.500 0.000 1.144 461 F CA -0.433 57.784 58.000 0.361 0.000 0.938 461 F CB 2.003 41.180 39.000 0.295 0.000 1.292 461 F HN 0.407 nan 8.300 nan 0.000 0.444 462 Q N 3.258 122.917 119.800 -0.235 0.000 2.315 462 Q HA 0.493 4.833 4.340 0.001 0.000 0.273 462 Q C -1.945 174.006 176.000 -0.082 0.000 1.053 462 Q CA -0.385 55.365 55.803 -0.089 0.000 0.817 462 Q CB 2.835 31.504 28.738 -0.114 0.000 1.326 462 Q HN 0.794 nan 8.270 nan 0.000 0.423 463 W N 1.002 122.294 121.300 -0.014 0.000 2.940 463 W HA 0.743 5.403 4.660 0.001 0.000 0.394 463 W C -1.475 175.226 176.519 0.304 0.000 1.155 463 W CA -0.785 56.635 57.345 0.126 0.000 1.165 463 W CB 0.452 30.081 29.460 0.281 0.000 1.492 463 W HN 0.326 nan 8.180 nan 0.000 0.593 464 S N 1.096 117.103 115.700 0.512 0.000 2.472 464 S HA 0.741 5.211 4.470 0.001 0.000 0.303 464 S C 0.059 175.113 174.600 0.757 0.000 1.099 464 S CA 0.180 58.676 58.200 0.494 0.000 1.077 464 S CB 0.890 64.360 63.200 0.451 0.000 1.031 464 S HN 1.610 nan 8.310 nan 0.000 0.487 465 G N 2.028 111.296 108.800 0.779 0.000 2.755 465 G HA2 -0.159 3.801 3.960 0.001 0.000 0.686 465 G HA3 -0.159 3.801 3.960 0.001 0.000 0.686 465 G C -0.823 174.397 174.900 0.535 0.000 1.427 465 G CA -0.661 44.884 45.100 0.742 0.000 0.873 465 G HN 0.741 nan 8.290 nan 0.000 0.580 466 K N 1.461 121.989 120.400 0.213 0.000 2.449 466 K HA 0.579 4.900 4.320 0.001 0.000 0.257 466 K C 1.381 177.987 176.600 0.010 0.000 0.989 466 K CA 0.537 56.731 56.287 -0.155 0.000 0.916 466 K CB 0.505 32.642 32.500 -0.605 0.000 1.136 466 K HN 2.365 nan 8.250 nan 0.000 0.439 467 G N 3.408 112.272 108.800 0.107 0.000 2.672 467 G HA2 -0.339 3.621 3.960 0.001 0.000 0.324 467 G HA3 -0.339 3.621 3.960 0.001 0.000 0.324 467 G C -0.472 174.620 174.900 0.320 0.000 1.286 467 G CA 0.169 45.371 45.100 0.169 0.000 1.004 467 G HN 0.539 nan 8.290 nan 0.000 0.548 468 F N 2.432 122.378 119.950 -0.008 0.000 2.434 468 F HA 0.581 5.109 4.527 0.001 0.000 0.358 468 F C 1.162 176.987 175.800 0.042 0.000 1.136 468 F CA -0.913 57.043 58.000 -0.074 0.000 1.157 468 F CB 0.622 39.541 39.000 -0.134 0.000 1.167 468 F HN 0.698 nan 8.300 nan 0.000 0.539 469 A N 2.735 125.742 122.820 0.312 0.000 3.157 469 A HA 0.507 4.827 4.320 0.001 0.000 0.276 469 A C 1.448 179.059 177.584 0.045 0.000 1.524 469 A CA 0.072 52.225 52.037 0.193 0.000 1.236 469 A CB -0.819 18.273 19.000 0.154 0.000 1.173 469 A HN 0.832 nan 8.150 nan 0.000 0.595 470 G N -0.164 108.687 108.800 0.085 0.000 3.042 470 G HA2 0.243 4.203 3.960 0.001 0.000 0.212 470 G HA3 0.243 4.203 3.960 0.001 0.000 0.212 470 G C 1.114 176.032 174.900 0.031 0.000 1.166 470 G CA 0.763 45.866 45.100 0.004 0.000 0.767 470 G HN 0.688 nan 8.290 nan 0.000 0.546 471 G N -0.265 108.561 108.800 0.044 0.000 2.418 471 G HA2 0.107 4.067 3.960 0.001 0.000 0.217 471 G HA3 0.107 4.067 3.960 0.001 0.000 0.217 471 G C 0.315 175.011 174.900 -0.339 0.000 1.158 471 G CA 1.065 46.146 45.100 -0.031 0.000 0.771 471 G HN 0.455 nan 8.290 nan 0.000 0.545 472 D N -3.054 116.912 120.400 -0.723 0.000 2.622 472 D HA 0.258 4.899 4.640 0.001 0.000 0.255 472 D C 1.297 177.368 176.300 -0.382 0.000 1.246 472 D CA -0.776 52.916 54.000 -0.514 0.000 0.795 472 D CB 0.478 40.924 40.800 -0.589 0.000 1.369 472 D HN -0.105 nan 8.370 nan 0.000 0.425 473 I N 0.267 120.698 120.570 -0.232 0.000 2.151 473 I HA -0.239 3.931 4.170 0.001 0.000 0.243 473 I C 1.587 177.603 176.117 -0.169 0.000 1.080 473 I CA 1.194 62.351 61.300 -0.239 0.000 1.339 473 I CB -0.201 37.708 38.000 -0.151 0.000 1.039 473 I HN 0.218 nan 8.210 nan 0.000 0.409 474 S N -1.248 114.425 115.700 -0.045 0.000 2.603 474 S HA -0.008 4.462 4.470 0.001 0.000 0.220 474 S C 1.500 176.184 174.600 0.140 0.000 0.967 474 S CA 0.002 58.230 58.200 0.047 0.000 0.920 474 S CB -0.497 62.744 63.200 0.068 0.000 0.773 474 S HN 0.489 nan 8.310 nan 0.000 0.529 475 H N 2.056 121.123 119.070 -0.006 0.000 2.421 475 H HA -0.136 4.420 4.556 0.001 0.000 0.298 475 H C 2.397 177.788 175.328 0.106 0.000 1.087 475 H CA 1.364 57.441 56.048 0.049 0.000 1.330 475 H CB 0.043 29.826 29.762 0.036 0.000 1.388 475 H HN 0.603 nan 8.280 nan 0.000 0.526 476 Q N 1.057 120.953 119.800 0.160 0.000 2.500 476 Q HA -0.069 4.271 4.340 0.001 0.000 0.213 476 Q C 1.523 177.675 176.000 0.254 0.000 0.974 476 Q CA 0.834 56.750 55.803 0.189 0.000 0.918 476 Q CB -0.066 28.644 28.738 -0.046 0.000 0.980 476 Q HN 0.510 nan 8.270 nan 0.000 0.505 477 L N 0.020 121.283 121.223 0.066 0.000 2.567 477 L HA 0.150 4.490 4.340 0.001 0.000 0.225 477 L C 1.283 178.116 176.870 -0.062 0.000 1.119 477 L CA -0.317 54.407 54.840 -0.193 0.000 0.871 477 L CB -0.350 41.378 42.059 -0.551 0.000 1.036 477 L HN 0.354 nan 8.230 nan 0.000 0.459 478 H N 2.280 121.349 119.070 -0.001 0.000 2.928 478 H HA 0.059 4.615 4.556 0.001 0.000 0.338 478 H C -0.264 174.966 175.328 -0.164 0.000 1.047 478 H CA 0.316 56.297 56.048 -0.112 0.000 1.435 478 H CB 0.836 30.513 29.762 -0.141 0.000 1.428 478 H HN 0.089 nan 8.280 nan 0.000 0.590 479 Q N 4.614 124.038 119.800 -0.626 0.000 2.256 479 Q HA 0.206 4.547 4.340 0.001 0.000 0.254 479 Q C -0.913 174.709 176.000 -0.630 0.000 0.916 479 Q CA -0.261 55.298 55.803 -0.406 0.000 0.932 479 Q CB 1.171 29.753 28.738 -0.259 0.000 1.207 479 Q HN 0.505 nan 8.270 nan 0.000 0.426 480 Y N -0.036 119.985 120.300 -0.465 0.000 2.570 480 Y HA 0.396 4.946 4.550 0.001 0.000 0.345 480 Y C 0.330 175.643 175.900 -0.980 0.000 1.014 480 Y CA -0.956 56.722 58.100 -0.703 0.000 1.063 480 Y CB 1.922 39.815 38.460 -0.945 0.000 1.272 480 Y HN 0.518 nan 8.280 nan 0.000 0.477 481 E N 0.517 120.421 120.200 -0.492 0.000 2.408 481 E HA 0.495 4.845 4.350 0.001 0.000 0.275 481 E C -2.229 174.459 176.600 0.147 0.000 0.935 481 E CA -1.106 55.167 56.400 -0.212 0.000 0.775 481 E CB 3.082 32.747 29.700 -0.058 0.000 1.277 481 E HN 0.578 nan 8.360 nan 0.000 0.455 482 Y N 1.769 122.244 120.300 0.291 0.000 2.373 482 Y HA 0.409 4.959 4.550 0.001 0.000 0.336 482 Y C -2.814 173.211 175.900 0.208 0.000 0.979 482 Y CA -2.353 55.942 58.100 0.325 0.000 1.080 482 Y CB 2.216 40.944 38.460 0.446 0.000 1.190 482 Y HN 0.398 nan 8.280 nan 0.000 0.446 483 P HA 0.237 nan 4.420 nan 0.000 0.275 483 P C -0.721 176.578 177.300 -0.002 0.000 1.228 483 P CA -0.082 62.715 63.100 -0.505 0.000 0.786 483 P CB 1.224 32.654 31.700 -0.450 0.000 0.927 484 A N 4.881 127.813 122.820 0.186 0.000 2.425 484 A HA 0.320 4.641 4.320 0.001 0.000 0.242 484 A C -2.023 175.706 177.584 0.242 0.000 1.077 484 A CA -1.271 50.915 52.037 0.248 0.000 0.781 484 A CB -1.531 17.667 19.000 0.329 0.000 1.020 484 A HN 0.414 nan 8.150 nan 0.000 0.494 485 P HA 0.153 nan 4.420 nan 0.000 0.256 485 P C 1.070 178.381 177.300 0.019 0.000 1.173 485 P CA 2.173 65.321 63.100 0.080 0.000 0.768 485 P CB 0.278 32.013 31.700 0.059 0.000 0.758 486 G N 1.693 110.468 108.800 -0.041 0.000 2.253 486 G HA2 -0.289 3.672 3.960 0.001 0.000 0.251 486 G HA3 -0.289 3.672 3.960 0.001 0.000 0.251 486 G C 0.019 174.784 174.900 -0.224 0.000 0.998 486 G CA -0.326 44.676 45.100 -0.163 0.000 0.621 486 G HN 0.447 nan 8.290 nan 0.000 0.524 487 Y N 0.988 121.314 120.300 0.043 0.000 2.334 487 Y HA 0.645 5.195 4.550 0.001 0.000 0.325 487 Y C 1.079 177.006 175.900 0.046 0.000 1.308 487 Y CA 0.220 58.356 58.100 0.060 0.000 1.389 487 Y CB 1.347 39.857 38.460 0.083 0.000 1.328 487 Y HN 0.187 nan 8.280 nan 0.000 0.532 488 S N 0.558 116.423 115.700 0.275 0.000 2.617 488 S HA 0.380 4.850 4.470 0.001 0.000 0.283 488 S C -0.544 174.128 174.600 0.119 0.000 1.189 488 S CA -0.929 57.373 58.200 0.169 0.000 1.036 488 S CB 0.503 63.836 63.200 0.223 0.000 1.014 488 S HN 0.547 nan 8.310 nan 0.000 0.522 489 K N 1.858 122.272 120.400 0.024 0.000 2.230 489 K HA 0.249 4.570 4.320 0.001 0.000 0.253 489 K C -0.053 176.616 176.600 0.115 0.000 1.008 489 K CA -0.528 55.788 56.287 0.048 0.000 0.910 489 K CB 0.206 32.696 32.500 -0.017 0.000 0.994 489 K HN 0.493 nan 8.250 nan 0.000 0.495 490 I N 2.640 123.328 120.570 0.197 0.000 2.588 490 I HA -0.036 4.134 4.170 0.001 0.000 0.283 490 I C 1.150 177.286 176.117 0.032 0.000 1.119 490 I CA 0.587 61.942 61.300 0.091 0.000 1.419 490 I CB 0.689 38.688 38.000 -0.003 0.000 1.394 490 I HN 0.585 nan 8.210 nan 0.000 0.562 491 K N 4.907 125.336 120.400 0.048 0.000 2.474 491 K HA 0.317 4.638 4.320 0.001 0.000 0.202 491 K C 0.144 176.850 176.600 0.175 0.000 1.248 491 K CA 0.358 56.675 56.287 0.050 0.000 0.946 491 K CB 1.026 33.503 32.500 -0.038 0.000 1.102 491 K HN 0.608 nan 8.250 nan 0.000 0.541 492 M N -0.109 119.624 119.600 0.222 0.000 2.518 492 M HA 0.430 4.910 4.480 0.001 0.000 0.300 492 M C -1.841 174.669 176.300 0.351 0.000 1.175 492 M CA -0.716 54.773 55.300 0.315 0.000 0.890 492 M CB 2.355 35.187 32.600 0.387 0.000 1.710 492 M HN -0.036 nan 8.290 nan 0.000 0.453 493 F N 4.954 124.988 119.950 0.140 0.000 2.499 493 F HA 0.423 4.951 4.527 0.001 0.000 0.333 493 F C -1.813 174.094 175.800 0.179 0.000 1.138 493 F CA -0.684 57.409 58.000 0.156 0.000 0.945 493 F CB 1.198 40.257 39.000 0.099 0.000 1.181 493 F HN 0.709 nan 8.300 nan 0.000 0.435 494 W N 9.069 130.592 121.300 0.373 0.000 2.298 494 W HA 0.360 5.021 4.660 0.001 0.000 0.327 494 W C -1.181 175.367 176.519 0.048 0.000 0.988 494 W CA -1.081 56.338 57.345 0.123 0.000 1.448 494 W CB 0.989 30.561 29.460 0.188 0.000 1.243 494 W HN 0.509 nan 8.180 nan 0.000 0.388 495 K N 4.253 124.731 120.400 0.129 0.000 2.143 495 K HA 0.142 4.462 4.320 0.001 0.000 0.272 495 K C -1.347 175.413 176.600 0.267 0.000 1.001 495 K CA -0.710 55.566 56.287 -0.019 0.000 0.915 495 K CB 1.905 34.174 32.500 -0.384 0.000 1.047 495 K HN 0.320 nan 8.250 nan 0.000 0.458 496 Y N 1.589 121.930 120.300 0.068 0.000 2.388 496 Y HA 0.337 4.888 4.550 0.001 0.000 0.328 496 Y C 0.161 176.025 175.900 -0.060 0.000 0.963 496 Y CA 0.383 58.517 58.100 0.058 0.000 1.240 496 Y CB 0.847 39.315 38.460 0.013 0.000 1.118 496 Y HN 0.919 nan 8.280 nan 0.000 0.484 497 G N 2.910 111.641 108.800 -0.115 0.000 2.795 497 G HA2 0.194 4.154 3.960 0.001 0.000 0.664 497 G HA3 0.194 4.154 3.960 0.001 0.000 0.664 497 G C -0.112 174.688 174.900 -0.166 0.000 1.381 497 G CA -0.358 44.668 45.100 -0.124 0.000 0.853 497 G HN 1.514 nan 8.290 nan 0.000 0.545 498 G N -0.851 107.838 108.800 -0.185 0.000 4.379 498 G HA2 0.714 4.675 3.960 0.001 0.000 0.243 498 G HA3 0.714 4.675 3.960 0.001 0.000 0.243 498 G C -1.387 173.377 174.900 -0.227 0.000 1.009 498 G CA 0.568 45.519 45.100 -0.249 0.000 0.646 498 G HN 0.766 nan 8.290 nan 0.000 0.475 499 P HA 0.093 nan 4.420 nan 0.000 0.275 499 P C 0.733 177.945 177.300 -0.147 0.000 1.310 499 P CA 0.120 63.119 63.100 -0.168 0.000 0.904 499 P CB 0.243 31.875 31.700 -0.114 0.000 1.381 500 H N 0.198 119.095 119.070 -0.290 0.000 2.457 500 H HA -0.025 4.531 4.556 0.001 0.000 0.297 500 H C 1.842 176.839 175.328 -0.552 0.000 1.092 500 H CA 0.534 56.288 56.048 -0.490 0.000 1.309 500 H CB -0.272 29.102 29.762 -0.645 0.000 1.382 500 H HN 0.108 nan 8.280 nan 0.000 0.535 501 L N -0.369 120.678 121.223 -0.294 0.000 2.275 501 L HA -0.071 4.270 4.340 0.001 0.000 0.215 501 L C 2.545 179.241 176.870 -0.289 0.000 1.119 501 L CA 0.992 55.625 54.840 -0.345 0.000 0.790 501 L CB -0.022 41.767 42.059 -0.450 0.000 0.919 501 L HN 0.327 nan 8.230 nan 0.000 0.443 502 G N -1.589 107.061 108.800 -0.250 0.000 2.921 502 G HA2 -0.050 3.910 3.960 0.001 0.000 0.213 502 G HA3 -0.050 3.910 3.960 0.001 0.000 0.213 502 G C 1.428 176.192 174.900 -0.226 0.000 1.143 502 G CA 0.811 45.766 45.100 -0.242 0.000 0.764 502 G HN 0.381 nan 8.290 nan 0.000 0.542 503 T N -3.095 111.316 114.554 -0.238 0.000 2.959 503 T HA 0.369 4.720 4.350 0.001 0.000 0.254 503 T C 1.473 176.004 174.700 -0.282 0.000 1.003 503 T CA -0.203 61.751 62.100 -0.244 0.000 0.950 503 T CB 0.271 68.989 68.868 -0.250 0.000 1.090 503 T HN -0.099 nan 8.240 nan 0.000 0.503 504 M N 2.928 122.301 119.600 -0.378 0.000 2.277 504 M HA 0.445 4.925 4.480 0.001 0.000 0.210 504 M C 0.626 176.801 176.300 -0.209 0.000 0.951 504 M CA -0.008 55.065 55.300 -0.378 0.000 1.743 504 M CB -0.198 31.972 32.600 -0.717 0.000 1.103 504 M HN 0.339 nan 8.290 nan 0.000 0.856 505 T N -2.309 112.180 114.554 -0.108 0.000 2.887 505 T HA 0.701 5.051 4.350 0.001 0.000 0.288 505 T C 0.095 174.789 174.700 -0.011 0.000 1.021 505 T CA -0.358 61.715 62.100 -0.045 0.000 1.000 505 T CB 1.501 70.360 68.868 -0.015 0.000 1.034 505 T HN 0.873 nan 8.240 nan 0.000 0.467 506 A N 1.794 124.590 122.820 -0.040 0.000 2.462 506 A HA -0.194 4.127 4.320 0.001 0.000 0.294 506 A C 1.627 179.198 177.584 -0.023 0.000 1.461 506 A CA 1.225 53.233 52.037 -0.048 0.000 0.765 506 A CB -2.564 16.406 19.000 -0.049 0.000 1.071 506 A HN 1.919 nan 8.150 nan 0.000 0.401 507 T N -1.832 112.701 114.554 -0.034 0.000 2.969 507 T HA -0.208 4.142 4.350 0.001 0.000 0.271 507 T C 1.423 176.114 174.700 -0.015 0.000 1.127 507 T CA 1.415 63.518 62.100 0.005 0.000 1.102 507 T CB -0.441 68.330 68.868 -0.163 0.000 0.855 507 T HN 0.608 nan 8.240 nan 0.000 0.536 508 N N 2.176 120.841 118.700 -0.059 0.000 2.348 508 N HA -0.113 4.628 4.740 0.001 0.000 0.185 508 N C 2.080 177.568 175.510 -0.036 0.000 1.019 508 N CA 1.372 54.394 53.050 -0.047 0.000 0.880 508 N CB -0.364 38.111 38.487 -0.020 0.000 0.965 508 N HN 0.780 nan 8.380 nan 0.000 0.437 509 R N -0.643 119.825 120.500 -0.054 0.000 2.148 509 R HA -0.089 4.252 4.340 0.001 0.000 0.227 509 R C 1.262 177.417 176.300 -0.241 0.000 1.103 509 R CA 0.999 57.009 56.100 -0.150 0.000 0.983 509 R CB -0.747 29.416 30.300 -0.229 0.000 0.874 509 R HN 0.237 nan 8.270 nan 0.000 0.451 510 Y N 1.342 121.508 120.300 -0.222 0.000 2.373 510 Y HA 0.060 4.611 4.550 0.001 0.000 0.293 510 Y C 2.768 178.478 175.900 -0.316 0.000 1.129 510 Y CA 1.117 59.057 58.100 -0.267 0.000 1.226 510 Y CB -0.121 38.215 38.460 -0.206 0.000 1.000 510 Y HN 0.239 nan 8.280 nan 0.000 0.549 511 A N 0.228 122.961 122.820 -0.145 0.000 1.897 511 A HA -0.136 4.184 4.320 0.001 0.000 0.215 511 A C 2.117 179.664 177.584 -0.061 0.000 1.181 511 A CA 1.345 53.240 52.037 -0.237 0.000 0.620 511 A CB -0.348 18.622 19.000 -0.051 0.000 0.821 511 A HN 0.345 nan 8.150 nan 0.000 0.443 512 K N -0.034 120.350 120.400 -0.026 0.000 2.148 512 K HA -0.139 4.182 4.320 0.001 0.000 0.204 512 K C 2.131 178.723 176.600 -0.014 0.000 1.050 512 K CA 1.642 57.943 56.287 0.022 0.000 0.942 512 K CB -0.437 32.068 32.500 0.007 0.000 0.724 512 K HN 0.805 nan 8.250 nan 0.000 0.446 513 M N -1.089 118.414 119.600 -0.161 0.000 2.213 513 M HA -0.149 4.331 4.480 0.001 0.000 0.263 513 M C 1.359 177.575 176.300 -0.140 0.000 1.062 513 M CA 1.666 56.834 55.300 -0.221 0.000 1.105 513 M CB -0.730 31.614 32.600 -0.427 0.000 1.385 513 M HN -0.012 nan 8.290 nan 0.000 0.417 514 Y N 2.294 122.573 120.300 -0.036 0.000 2.333 514 Y HA -0.125 4.426 4.550 0.001 0.000 0.290 514 Y C 2.633 178.610 175.900 0.129 0.000 1.144 514 Y CA 1.762 59.889 58.100 0.045 0.000 1.228 514 Y CB -0.470 37.990 38.460 -0.001 0.000 0.985 514 Y HN 0.534 nan 8.280 nan 0.000 0.542 515 T N -3.257 111.459 114.554 0.269 0.000 3.107 515 T HA -0.029 4.322 4.350 0.001 0.000 0.249 515 T C 0.450 175.246 174.700 0.159 0.000 1.096 515 T CA -0.167 62.062 62.100 0.215 0.000 1.012 515 T CB -0.452 68.531 68.868 0.192 0.000 0.977 515 T HN 0.228 nan 8.240 nan 0.000 0.527 516 H N 3.182 122.296 119.070 0.072 0.000 2.886 516 H HA 0.056 4.612 4.556 0.001 0.000 0.329 516 H C 0.544 175.913 175.328 0.067 0.000 1.044 516 H CA 0.480 56.554 56.048 0.044 0.000 1.456 516 H CB 1.048 30.809 29.762 -0.003 0.000 1.464 516 H HN 0.331 nan 8.280 nan 0.000 0.573 517 D N 2.103 122.331 120.400 -0.286 0.000 2.392 517 D HA -0.167 4.473 4.640 0.001 0.000 0.228 517 D C 1.555 177.882 176.300 0.044 0.000 1.003 517 D CA 0.879 54.829 54.000 -0.082 0.000 0.917 517 D CB -0.189 40.544 40.800 -0.112 0.000 0.890 517 D HN 0.407 nan 8.370 nan 0.000 0.532 518 S N -0.292 115.535 115.700 0.212 0.000 2.461 518 S HA 0.001 4.471 4.470 0.001 0.000 0.228 518 S C 1.111 175.821 174.600 0.183 0.000 1.005 518 S CA -0.335 58.011 58.200 0.244 0.000 0.942 518 S CB -0.507 62.902 63.200 0.348 0.000 0.776 518 S HN 0.243 nan 8.310 nan 0.000 0.514 519 L N 2.570 123.918 121.223 0.209 0.000 2.385 519 L HA 0.262 4.603 4.340 0.001 0.000 0.285 519 L C 1.065 178.068 176.870 0.221 0.000 1.125 519 L CA -0.187 54.768 54.840 0.192 0.000 0.890 519 L CB 0.545 42.722 42.059 0.197 0.000 1.251 519 L HN 0.368 nan 8.230 nan 0.000 0.445 520 E N 2.842 123.184 120.200 0.237 0.000 2.208 520 E HA -0.044 4.306 4.350 0.001 0.000 0.193 520 E C -0.334 176.530 176.600 0.439 0.000 0.988 520 E CA 0.793 57.371 56.400 0.297 0.000 0.828 520 E CB 0.383 30.241 29.700 0.263 0.000 0.763 520 E HN 0.313 nan 8.360 nan 0.000 0.478 521 F N 0.002 120.049 119.950 0.161 0.000 2.635 521 F HA 0.319 4.846 4.527 0.001 0.000 0.314 521 F C -1.769 174.072 175.800 0.067 0.000 1.119 521 F CA -1.227 56.815 58.000 0.070 0.000 1.000 521 F CB 1.578 40.649 39.000 0.119 0.000 1.278 521 F HN -0.414 nan 8.300 nan 0.000 0.446 522 V N 5.820 125.348 119.914 -0.642 0.000 2.525 522 V HA 0.655 4.775 4.120 0.001 0.000 0.299 522 V C -1.075 174.496 176.094 -0.871 0.000 1.034 522 V CA -0.811 61.188 62.300 -0.502 0.000 0.863 522 V CB 1.690 33.442 31.823 -0.118 0.000 0.999 522 V HN 0.629 nan 8.190 nan 0.000 0.423 523 V N 2.974 122.440 119.914 -0.747 0.000 2.628 523 V HA 0.695 4.816 4.120 0.001 0.000 0.306 523 V C -0.015 175.842 176.094 -0.395 0.000 1.045 523 V CA -0.473 61.416 62.300 -0.685 0.000 0.905 523 V CB 2.092 33.371 31.823 -0.906 0.000 0.997 523 V HN 0.832 nan 8.190 nan 0.000 0.436 524 S N 3.148 118.673 115.700 -0.291 0.000 2.552 524 S HA 0.432 4.902 4.470 0.001 0.000 0.314 524 S C -0.712 173.827 174.600 -0.101 0.000 1.099 524 S CA -0.552 57.543 58.200 -0.174 0.000 1.070 524 S CB 1.207 64.273 63.200 -0.222 0.000 0.998 524 S HN 0.834 nan 8.310 nan 0.000 0.474 525 Q N 3.887 123.703 119.800 0.026 0.000 2.466 525 Q HA 0.584 4.924 4.340 0.001 0.000 0.242 525 Q C -1.046 174.832 176.000 -0.203 0.000 1.046 525 Q CA -0.243 55.569 55.803 0.016 0.000 0.841 525 Q CB 0.526 29.434 28.738 0.283 0.000 1.193 525 Q HN 0.686 nan 8.270 nan 0.000 0.508 526 S N 2.703 118.275 115.700 -0.214 0.000 2.732 526 S HA 0.508 4.979 4.470 0.001 0.000 0.293 526 S C 0.573 175.000 174.600 -0.289 0.000 1.159 526 S CA -0.721 57.318 58.200 -0.269 0.000 0.847 526 S CB 1.038 64.123 63.200 -0.193 0.000 1.169 526 S HN 0.664 nan 8.310 nan 0.000 0.501 527 I N -0.576 119.775 120.570 -0.366 0.000 2.810 527 I HA 0.191 4.361 4.170 0.001 0.000 0.262 527 I C -0.105 175.603 176.117 -0.682 0.000 1.131 527 I CA 0.607 61.510 61.300 -0.661 0.000 1.453 527 I CB 0.260 37.535 38.000 -1.208 0.000 1.161 527 I HN 0.312 nan 8.210 nan 0.000 0.444 528 W N 0.165 121.411 121.300 -0.090 0.000 2.689 528 W HA 0.292 4.952 4.660 0.001 0.000 0.340 528 W C -0.818 175.660 176.519 -0.068 0.000 1.060 528 W CA -1.052 56.260 57.345 -0.055 0.000 1.218 528 W CB 1.310 30.729 29.460 -0.068 0.000 1.410 528 W HN -0.204 nan 8.180 nan 0.000 0.528 529 F N 4.307 124.254 119.950 -0.004 0.000 2.509 529 F HA 0.154 4.681 4.527 0.001 0.000 0.350 529 F C 0.336 176.013 175.800 -0.205 0.000 1.220 529 F CA 0.197 58.029 58.000 -0.280 0.000 1.151 529 F CB -0.230 38.379 39.000 -0.652 0.000 1.379 529 F HN 0.339 nan 8.300 nan 0.000 0.610 530 E N 2.419 122.392 120.200 -0.378 0.000 2.442 530 E HA 0.626 4.976 4.350 0.001 0.000 0.278 530 E C 0.417 176.850 176.600 -0.278 0.000 1.082 530 E CA -0.814 55.411 56.400 -0.293 0.000 0.861 530 E CB 0.549 30.181 29.700 -0.113 0.000 1.462 530 E HN 0.600 nan 8.360 nan 0.000 0.458 531 G N 1.322 110.025 108.800 -0.161 0.000 2.660 531 G HA2 -0.438 3.522 3.960 0.001 0.000 0.321 531 G HA3 -0.438 3.522 3.960 0.001 0.000 0.321 531 G C 0.627 175.501 174.900 -0.044 0.000 1.246 531 G CA 0.886 45.933 45.100 -0.088 0.000 1.000 531 G HN 0.698 nan 8.290 nan 0.000 0.550 532 E N 0.361 120.509 120.200 -0.087 0.000 2.435 532 E HA 0.207 4.557 4.350 0.001 0.000 0.195 532 E C 2.626 179.150 176.600 -0.126 0.000 1.029 532 E CA 0.517 56.903 56.400 -0.024 0.000 0.865 532 E CB 0.084 29.706 29.700 -0.130 0.000 0.833 532 E HN 0.331 nan 8.360 nan 0.000 0.510 533 V N 1.615 121.355 119.914 -0.289 0.000 2.317 533 V HA -0.218 3.903 4.120 0.001 0.000 0.251 533 V C -0.991 174.805 176.094 -0.498 0.000 1.065 533 V CA 1.766 63.816 62.300 -0.415 0.000 1.049 533 V CB -1.330 30.188 31.823 -0.508 0.000 0.651 533 V HN 0.210 nan 8.190 nan 0.000 0.450 534 P HA 0.004 nan 4.420 nan 0.000 0.252 534 P C 0.661 177.768 177.300 -0.322 0.000 1.265 534 P CA 0.973 63.769 63.100 -0.506 0.000 0.775 534 P CB -0.311 30.980 31.700 -0.683 0.000 1.128 535 F N -1.231 118.531 119.950 -0.312 0.000 2.704 535 F HA 0.327 4.855 4.527 0.001 0.000 0.304 535 F C 1.491 177.110 175.800 -0.302 0.000 1.094 535 F CA -0.388 57.382 58.000 -0.383 0.000 1.275 535 F CB -0.183 38.234 39.000 -0.972 0.000 1.073 535 F HN -0.200 nan 8.300 nan 0.000 0.586 536 A N 0.231 123.009 122.820 -0.069 0.000 2.332 536 A HA 0.196 4.516 4.320 0.001 0.000 0.258 536 A C 0.879 178.470 177.584 0.012 0.000 1.087 536 A CA -0.206 51.768 52.037 -0.105 0.000 0.802 536 A CB 0.247 19.128 19.000 -0.200 0.000 1.042 536 A HN 0.186 nan 8.150 nan 0.000 0.489 537 D N -0.361 119.908 120.400 -0.218 0.000 2.216 537 D HA 0.117 4.757 4.640 0.001 0.000 0.208 537 D C 0.135 176.380 176.300 -0.091 0.000 0.960 537 D CA 1.170 54.984 54.000 -0.310 0.000 0.861 537 D CB 0.219 40.441 40.800 -0.964 0.000 0.985 537 D HN 0.307 nan 8.370 nan 0.000 0.493 538 I N 1.399 121.867 120.570 -0.169 0.000 2.533 538 I HA 0.336 4.507 4.170 0.001 0.000 0.290 538 I C -0.516 175.510 176.117 -0.152 0.000 1.056 538 I CA -0.555 60.711 61.300 -0.057 0.000 1.057 538 I CB 2.333 40.352 38.000 0.031 0.000 1.240 538 I HN -0.233 nan 8.210 nan 0.000 0.423 539 I N 6.607 127.096 120.570 -0.135 0.000 2.406 539 I HA 0.422 4.592 4.170 0.001 0.000 0.290 539 I C -0.650 175.341 176.117 -0.211 0.000 0.999 539 I CA -0.597 60.585 61.300 -0.197 0.000 1.124 539 I CB 1.931 39.776 38.000 -0.259 0.000 1.289 539 I HN 0.229 nan 8.210 nan 0.000 0.441 540 L N 7.930 129.048 121.223 -0.175 0.000 2.305 540 L HA 0.497 4.837 4.340 0.001 0.000 0.284 540 L C -2.534 174.289 176.870 -0.078 0.000 1.013 540 L CA -1.929 52.799 54.840 -0.187 0.000 0.819 540 L CB 1.471 43.560 42.059 0.050 0.000 1.227 540 L HN 0.258 nan 8.230 nan 0.000 0.417 541 P HA 0.238 nan 4.420 nan 0.000 0.281 541 P C -0.719 176.640 177.300 0.100 0.000 1.286 541 P CA -0.095 63.003 63.100 -0.004 0.000 0.772 541 P CB 1.252 32.950 31.700 -0.003 0.000 0.862 542 A N 3.241 126.017 122.820 -0.073 0.000 2.281 542 A HA 0.686 5.006 4.320 0.001 0.000 0.329 542 A C 0.330 177.812 177.584 -0.170 0.000 1.122 542 A CA -0.428 51.547 52.037 -0.104 0.000 0.850 542 A CB 0.513 19.385 19.000 -0.212 0.000 1.207 542 A HN 0.707 nan 8.150 nan 0.000 0.495 543 C N -0.291 118.936 119.300 -0.121 0.000 2.407 543 C HA 0.910 5.370 4.460 0.001 0.000 0.366 543 C C 0.933 175.860 174.990 -0.105 0.000 1.213 543 C CA 0.057 59.001 59.018 -0.123 0.000 2.011 543 C CB 0.540 28.256 27.740 -0.040 0.000 2.306 543 C HN 1.164 nan 8.230 nan 0.000 0.527 544 T N -0.283 114.245 114.554 -0.044 0.000 2.788 544 T HA 0.212 4.563 4.350 0.001 0.000 0.280 544 T C 1.141 175.941 174.700 0.167 0.000 0.984 544 T CA 0.146 62.321 62.100 0.124 0.000 0.972 544 T CB 0.363 69.450 68.868 0.366 0.000 1.039 544 T HN 0.905 nan 8.240 nan 0.000 0.530 545 N N -0.127 118.704 118.700 0.217 0.000 2.512 545 N HA -0.072 4.668 4.740 0.001 0.000 0.183 545 N C 0.912 176.391 175.510 -0.052 0.000 1.073 545 N CA 0.651 53.746 53.050 0.075 0.000 0.911 545 N CB -0.507 38.001 38.487 0.035 0.000 0.964 545 N HN 0.600 nan 8.380 nan 0.000 0.447 546 F N 0.920 120.897 119.950 0.045 0.000 2.797 546 F HA 0.201 4.728 4.527 0.001 0.000 0.302 546 F C 1.220 176.982 175.800 -0.064 0.000 1.130 546 F CA 0.254 58.251 58.000 -0.004 0.000 1.387 546 F CB 0.245 39.271 39.000 0.044 0.000 1.107 546 F HN 0.052 nan 8.300 nan 0.000 0.577 547 E N 0.142 120.390 120.200 0.080 0.000 2.603 547 E HA 0.173 4.523 4.350 0.001 0.000 0.211 547 E C 0.231 176.796 176.600 -0.059 0.000 0.995 547 E CA -0.204 56.198 56.400 0.003 0.000 0.990 547 E CB 0.483 30.200 29.700 0.027 0.000 1.036 547 E HN 0.334 nan 8.360 nan 0.000 0.475 548 R N -1.015 119.421 120.500 -0.106 0.000 2.766 548 R HA 0.448 4.789 4.340 0.001 0.000 0.270 548 R C -1.571 174.637 176.300 -0.152 0.000 1.035 548 R CA -1.028 55.019 56.100 -0.088 0.000 0.911 548 R CB 0.599 30.938 30.300 0.066 0.000 1.243 548 R HN -0.121 nan 8.270 nan 0.000 0.460 549 W N 0.579 121.949 121.300 0.116 0.000 2.376 549 W HA 0.518 5.179 4.660 0.001 0.000 0.322 549 W C 0.086 176.680 176.519 0.125 0.000 1.160 549 W CA 0.534 57.965 57.345 0.142 0.000 1.218 549 W CB 1.147 30.724 29.460 0.194 0.000 1.205 549 W HN 0.481 nan 8.180 nan 0.000 0.559 550 D N 0.865 121.506 120.400 0.401 0.000 2.792 550 D HA 0.471 5.111 4.640 0.001 0.000 0.335 550 D C -1.797 174.691 176.300 0.312 0.000 1.353 550 D CA -0.656 53.501 54.000 0.262 0.000 0.839 550 D CB 1.858 42.740 40.800 0.138 0.000 1.396 550 D HN 0.371 nan 8.370 nan 0.000 0.479 551 I N 0.351 121.052 120.570 0.219 0.000 2.827 551 I HA 0.597 4.768 4.170 0.001 0.000 0.298 551 I C -1.424 174.827 176.117 0.224 0.000 1.235 551 I CA -0.050 61.457 61.300 0.344 0.000 1.021 551 I CB 1.696 40.011 38.000 0.525 0.000 1.259 551 I HN 0.603 nan 8.210 nan 0.000 0.427 552 S N 3.933 119.832 115.700 0.330 0.000 2.655 552 S HA 0.462 4.933 4.470 0.001 0.000 0.266 552 S C -1.462 173.315 174.600 0.295 0.000 1.149 552 S CA -0.896 57.475 58.200 0.285 0.000 0.818 552 S CB 1.672 64.899 63.200 0.045 0.000 1.130 552 S HN 0.819 nan 8.310 nan 0.000 0.476 553 E N 0.283 120.695 120.200 0.354 0.000 2.238 553 E HA 0.502 4.853 4.350 0.001 0.000 0.267 553 E C -1.223 175.731 176.600 0.589 0.000 0.887 553 E CA -0.951 55.619 56.400 0.283 0.000 0.769 553 E CB 1.000 30.782 29.700 0.136 0.000 1.187 553 E HN 0.534 nan 8.360 nan 0.000 0.416 554 F N 4.110 124.238 119.950 0.296 0.000 2.514 554 F HA 0.037 4.565 4.527 0.001 0.000 0.399 554 F C 0.969 176.956 175.800 0.311 0.000 1.011 554 F CA 1.161 59.309 58.000 0.248 0.000 1.109 554 F CB -0.830 38.267 39.000 0.162 0.000 0.980 554 F HN 0.781 nan 8.300 nan 0.000 0.538 555 A N 3.775 126.973 122.820 0.629 0.000 2.910 555 A HA -0.334 3.987 4.320 0.001 0.000 0.267 555 A C 0.848 178.786 177.584 0.589 0.000 1.310 555 A CA 1.121 53.432 52.037 0.458 0.000 0.934 555 A CB -2.562 16.523 19.000 0.143 0.000 1.057 555 A HN 0.790 nan 8.150 nan 0.000 0.742 556 N N -0.288 118.798 118.700 0.643 0.000 2.402 556 N HA 0.293 5.033 4.740 0.001 0.000 0.252 556 N C 0.876 176.479 175.510 0.155 0.000 1.118 556 N CA 0.383 53.680 53.050 0.412 0.000 0.945 556 N CB 0.503 39.234 38.487 0.407 0.000 1.147 556 N HN 0.675 nan 8.380 nan 0.000 0.495 557 C N 2.732 122.030 119.300 -0.002 0.000 2.520 557 C HA 0.288 4.748 4.460 0.001 0.000 0.291 557 C C 1.398 176.026 174.990 -0.602 0.000 1.364 557 C CA 1.096 59.753 59.018 -0.601 0.000 1.781 557 C CB -0.920 26.773 27.740 -0.078 0.000 2.171 557 C HN 0.877 nan 8.230 nan 0.000 0.516 558 S N -1.132 114.375 115.700 -0.322 0.000 3.368 558 S HA 0.109 4.579 4.470 0.001 0.000 0.632 558 S C 1.089 175.338 174.600 -0.584 0.000 2.690 558 S CA 2.155 60.131 58.200 -0.372 0.000 3.124 558 S CB -1.663 61.435 63.200 -0.170 0.000 0.317 558 S HN 2.617 nan 8.310 nan 0.000 1.617 559 G N 0.803 109.230 108.800 -0.622 0.000 2.677 559 G HA2 -0.379 3.582 3.960 0.001 0.000 0.321 559 G HA3 -0.379 3.582 3.960 0.001 0.000 0.321 559 G C 0.576 175.127 174.900 -0.582 0.000 1.181 559 G CA 1.488 46.252 45.100 -0.561 0.000 0.965 559 G HN 2.063 nan 8.290 nan 0.000 0.548 560 Y N 0.747 121.010 120.300 -0.062 0.000 2.578 560 Y HA 0.651 5.201 4.550 0.001 0.000 0.297 560 Y C 1.533 177.379 175.900 -0.089 0.000 1.176 560 Y CA 0.150 58.214 58.100 -0.060 0.000 1.315 560 Y CB -0.207 38.234 38.460 -0.032 0.000 1.031 560 Y HN 0.357 nan 8.280 nan 0.000 0.524 561 I N 2.028 122.539 120.570 -0.097 0.000 2.926 561 I HA 0.306 4.476 4.170 0.001 0.000 0.295 561 I C -2.810 173.062 176.117 -0.408 0.000 1.463 561 I CA -2.041 59.163 61.300 -0.159 0.000 0.892 561 I CB 0.932 38.922 38.000 -0.016 0.000 1.874 561 I HN -0.208 nan 8.210 nan 0.000 0.620 562 P HA -0.044 nan 4.420 nan 0.000 0.260 562 P C -0.149 176.854 177.300 -0.494 0.000 1.172 562 P CA 0.650 63.233 63.100 -0.861 0.000 0.760 562 P CB 0.229 31.194 31.700 -1.225 0.000 0.773 563 D N 1.496 121.701 120.400 -0.325 0.000 2.708 563 D HA -0.209 4.431 4.640 0.001 0.000 0.236 563 D C 0.599 176.413 176.300 -0.810 0.000 1.146 563 D CA 1.106 54.792 54.000 -0.523 0.000 0.662 563 D CB -1.727 38.890 40.800 -0.305 0.000 1.059 563 D HN 0.668 nan 8.370 nan 0.000 0.428 564 N N -0.532 117.886 118.700 -0.470 0.000 2.521 564 N HA -0.161 4.579 4.740 0.001 0.000 0.188 564 N C 1.793 177.160 175.510 -0.238 0.000 1.146 564 N CA 0.323 53.164 53.050 -0.349 0.000 0.893 564 N CB -0.438 37.938 38.487 -0.185 0.000 0.975 564 N HN 0.546 nan 8.380 nan 0.000 0.451 565 Y N 0.196 120.525 120.300 0.049 0.000 2.569 565 Y HA -0.109 4.441 4.550 0.001 0.000 0.293 565 Y C 2.006 177.927 175.900 0.034 0.000 1.144 565 Y CA 0.367 58.509 58.100 0.069 0.000 1.321 565 Y CB -0.786 37.763 38.460 0.148 0.000 0.982 565 Y HN 0.315 nan 8.280 nan 0.000 0.558 566 Q N 0.934 120.613 119.800 -0.202 0.000 2.541 566 Q HA -0.034 4.307 4.340 0.001 0.000 0.215 566 Q C 1.335 177.312 176.000 -0.039 0.000 0.977 566 Q CA 0.923 56.715 55.803 -0.018 0.000 0.934 566 Q CB -0.443 28.253 28.738 -0.070 0.000 0.988 566 Q HN 0.638 nan 8.270 nan 0.000 0.521 567 L N 0.148 121.321 121.223 -0.083 0.000 2.313 567 L HA 0.053 4.394 4.340 0.001 0.000 0.214 567 L C 0.696 177.498 176.870 -0.114 0.000 1.119 567 L CA -0.195 54.583 54.840 -0.104 0.000 0.809 567 L CB 0.183 42.166 42.059 -0.128 0.000 0.933 567 L HN 0.343 nan 8.230 nan 0.000 0.449 568 C N -0.433 118.792 119.300 -0.124 0.000 2.335 568 C HA 0.198 4.658 4.460 0.001 0.000 0.363 568 C C 1.738 176.777 174.990 0.081 0.000 1.198 568 C CA -0.917 58.009 59.018 -0.154 0.000 2.279 568 C CB 0.967 28.466 27.740 -0.402 0.000 2.334 568 C HN 0.337 nan 8.230 nan 0.000 0.559 569 N N 0.049 118.851 118.700 0.169 0.000 2.457 569 N HA 0.022 4.763 4.740 0.001 0.000 0.180 569 N C -0.250 175.276 175.510 0.027 0.000 1.050 569 N CA 0.958 54.150 53.050 0.237 0.000 0.906 569 N CB -0.071 38.517 38.487 0.168 0.000 0.968 569 N HN 0.745 nan 8.380 nan 0.000 0.445 570 H N -1.340 117.948 119.070 0.363 0.000 2.996 570 H HA 0.376 4.932 4.556 0.001 0.000 0.368 570 H C -0.530 174.928 175.328 0.217 0.000 1.185 570 H CA -0.712 55.516 56.048 0.299 0.000 1.160 570 H CB 1.396 31.336 29.762 0.298 0.000 1.820 570 H HN -0.207 nan 8.280 nan 0.000 0.547 571 R N 1.600 122.228 120.500 0.213 0.000 2.216 571 R HA 0.427 4.768 4.340 0.001 0.000 0.332 571 R C -0.956 175.378 176.300 0.056 0.000 1.056 571 R CA -0.529 55.631 56.100 0.099 0.000 0.901 571 R CB 0.767 31.014 30.300 -0.088 0.000 1.039 571 R HN 0.208 nan 8.270 nan 0.000 0.456 572 V N 6.168 126.194 119.914 0.188 0.000 2.378 572 V HA 0.380 4.501 4.120 0.001 0.000 0.288 572 V C 0.089 176.268 176.094 0.141 0.000 1.016 572 V CA -0.655 61.736 62.300 0.151 0.000 0.840 572 V CB 1.704 33.676 31.823 0.249 0.000 0.994 572 V HN 0.639 nan 8.190 nan 0.000 0.431 573 I N 4.875 125.508 120.570 0.104 0.000 2.339 573 I HA 0.572 4.742 4.170 0.001 0.000 0.290 573 I C 0.234 176.587 176.117 0.393 0.000 0.994 573 I CA 0.037 61.379 61.300 0.069 0.000 1.191 573 I CB 1.790 39.695 38.000 -0.159 0.000 1.343 573 I HN 0.730 nan 8.210 nan 0.000 0.458 574 S N 6.315 122.248 115.700 0.388 0.000 2.570 574 S HA 0.652 5.123 4.470 0.001 0.000 0.286 574 S C -0.862 173.993 174.600 0.426 0.000 1.099 574 S CA -0.914 57.523 58.200 0.394 0.000 0.913 574 S CB 2.244 65.559 63.200 0.192 0.000 1.085 574 S HN 0.466 nan 8.310 nan 0.000 0.480 575 L N 1.815 123.137 121.223 0.165 0.000 2.319 575 L HA 0.393 4.733 4.340 0.001 0.000 0.280 575 L C -0.148 176.796 176.870 0.124 0.000 1.099 575 L CA 0.186 55.125 54.840 0.164 0.000 0.828 575 L CB 0.720 42.649 42.059 -0.216 0.000 1.150 575 L HN 0.782 nan 8.230 nan 0.000 0.442 576 Q N 5.397 125.311 119.800 0.191 0.000 2.490 576 Q HA 0.457 4.797 4.340 0.001 0.000 0.226 576 Q C -0.139 175.885 176.000 0.040 0.000 1.132 576 Q CA -0.492 55.339 55.803 0.047 0.000 0.928 576 Q CB 0.849 29.606 28.738 0.033 0.000 1.299 576 Q HN 0.847 nan 8.270 nan 0.000 0.528 577 A N 2.751 125.538 122.820 -0.056 0.000 2.462 577 A HA 0.071 4.391 4.320 0.001 0.000 0.243 577 A C 0.159 177.401 177.584 -0.569 0.000 1.076 577 A CA -0.223 51.675 52.037 -0.232 0.000 0.773 577 A CB 0.300 19.211 19.000 -0.148 0.000 1.010 577 A HN 0.637 nan 8.150 nan 0.000 0.493 578 K N 2.659 122.268 120.400 -1.319 0.000 2.237 578 K HA 0.167 4.488 4.320 0.001 0.000 0.283 578 K C 0.388 176.696 176.600 -0.486 0.000 1.080 578 K CA -0.367 55.350 56.287 -0.950 0.000 0.965 578 K CB -0.408 31.258 32.500 -1.389 0.000 1.098 578 K HN 0.724 nan 8.250 nan 0.000 0.434 579 C N 4.588 123.762 119.300 -0.210 0.000 2.450 579 C HA 0.061 4.521 4.460 0.001 0.000 0.279 579 C C 1.219 176.213 174.990 0.006 0.000 1.335 579 C CA -0.169 58.823 59.018 -0.043 0.000 1.749 579 C CB -1.108 26.698 27.740 0.112 0.000 1.963 579 C HN 0.841 nan 8.230 nan 0.000 0.501 580 I N -3.377 117.198 120.570 0.008 0.000 3.195 580 I HA 0.546 4.717 4.170 0.001 0.000 0.313 580 I C -1.083 175.051 176.117 0.028 0.000 1.237 580 I CA -0.741 60.589 61.300 0.050 0.000 0.963 580 I CB 1.054 39.121 38.000 0.113 0.000 1.278 580 I HN -0.249 nan 8.210 nan 0.000 0.460 581 E N 2.100 122.333 120.200 0.056 0.000 2.366 581 E HA 0.344 4.695 4.350 0.001 0.000 0.266 581 E C -2.380 174.254 176.600 0.056 0.000 1.051 581 E CA -1.481 54.951 56.400 0.053 0.000 0.884 581 E CB 0.298 30.037 29.700 0.066 0.000 1.006 581 E HN 0.404 nan 8.360 nan 0.000 0.417 582 P HA -0.062 nan 4.420 nan 0.000 0.264 582 P C -0.485 176.849 177.300 0.056 0.000 1.183 582 P CA 0.165 63.288 63.100 0.039 0.000 0.763 582 P CB 0.417 32.138 31.700 0.035 0.000 0.807 583 V N 3.864 123.804 119.914 0.044 0.000 2.637 583 V HA 0.347 4.468 4.120 0.001 0.000 0.296 583 V C 1.410 177.535 176.094 0.052 0.000 1.046 583 V CA 1.205 63.543 62.300 0.063 0.000 1.066 583 V CB -0.149 31.704 31.823 0.050 0.000 0.968 583 V HN 1.059 nan 8.190 nan 0.000 0.483 584 G N 4.843 113.683 108.800 0.067 0.000 2.574 584 G HA2 -0.294 3.666 3.960 0.001 0.000 0.286 584 G HA3 -0.294 3.666 3.960 0.001 0.000 0.286 584 G C 0.396 175.369 174.900 0.122 0.000 1.212 584 G CA 0.619 45.764 45.100 0.076 0.000 0.979 584 G HN 0.730 nan 8.290 nan 0.000 0.557 585 E N 0.985 121.289 120.200 0.173 0.000 2.437 585 E HA 0.367 4.717 4.350 0.001 0.000 0.195 585 E C 1.114 177.944 176.600 0.384 0.000 1.029 585 E CA 0.420 56.994 56.400 0.290 0.000 0.948 585 E CB 0.109 30.029 29.700 0.366 0.000 1.082 585 E HN 0.667 nan 8.360 nan 0.000 0.456 586 S N 0.832 116.658 115.700 0.211 0.000 2.600 586 S HA 0.456 4.927 4.470 0.001 0.000 0.265 586 S C 0.148 174.820 174.600 0.120 0.000 1.325 586 S CA -0.593 57.723 58.200 0.192 0.000 1.002 586 S CB 0.845 64.064 63.200 0.033 0.000 0.921 586 S HN 0.230 nan 8.310 nan 0.000 0.554 587 M N -0.002 119.634 119.600 0.060 0.000 2.578 587 M HA 0.507 4.988 4.480 0.001 0.000 0.276 587 M C -0.414 175.859 176.300 -0.044 0.000 1.245 587 M CA -0.947 54.314 55.300 -0.064 0.000 0.871 587 M CB 1.773 34.200 32.600 -0.288 0.000 1.722 587 M HN 0.736 nan 8.290 nan 0.000 0.473 588 S N -0.240 115.459 115.700 -0.002 0.000 2.563 588 S HA 0.035 4.506 4.470 0.001 0.000 0.284 588 S C 0.327 174.942 174.600 0.025 0.000 1.331 588 S CA 0.176 58.411 58.200 0.058 0.000 1.047 588 S CB 0.369 63.662 63.200 0.156 0.000 0.859 588 S HN 0.780 nan 8.310 nan 0.000 0.514 589 D N 0.728 121.159 120.400 0.051 0.000 2.182 589 D HA -0.147 4.493 4.640 0.001 0.000 0.201 589 D C 1.379 177.653 176.300 -0.042 0.000 0.986 589 D CA 1.559 55.518 54.000 -0.069 0.000 0.847 589 D CB -0.202 40.688 40.800 0.150 0.000 0.942 589 D HN 0.829 nan 8.370 nan 0.000 0.467 590 Y N 1.985 122.369 120.300 0.140 0.000 2.145 590 Y HA -0.182 4.369 4.550 0.001 0.000 0.286 590 Y C 2.255 178.305 175.900 0.249 0.000 1.145 590 Y CA 1.409 59.695 58.100 0.310 0.000 1.148 590 Y CB 0.178 38.815 38.460 0.295 0.000 0.981 590 Y HN -0.207 nan 8.280 nan 0.000 0.507 591 E N 0.384 120.687 120.200 0.171 0.000 2.150 591 E HA -0.157 4.193 4.350 0.001 0.000 0.193 591 E C 2.309 178.809 176.600 -0.167 0.000 0.985 591 E CA 1.202 57.614 56.400 0.020 0.000 0.814 591 E CB -0.248 29.466 29.700 0.023 0.000 0.752 591 E HN 0.621 nan 8.360 nan 0.000 0.466 592 I N -0.009 120.418 120.570 -0.239 0.000 2.179 592 I HA -0.294 3.877 4.170 0.001 0.000 0.242 592 I C 2.168 178.184 176.117 -0.168 0.000 1.088 592 I CA 1.271 62.397 61.300 -0.290 0.000 1.357 592 I CB -0.378 37.474 38.000 -0.246 0.000 1.051 592 I HN 0.127 nan 8.210 nan 0.000 0.409 593 Y N 0.172 120.331 120.300 -0.235 0.000 2.293 593 Y HA -0.204 4.346 4.550 0.001 0.000 0.291 593 Y C 2.801 178.360 175.900 -0.569 0.000 1.137 593 Y CA 0.589 58.271 58.100 -0.697 0.000 1.202 593 Y CB -0.201 37.681 38.460 -0.964 0.000 0.990 593 Y HN 0.077 nan 8.280 nan 0.000 0.537 594 R N 0.356 120.766 120.500 -0.150 0.000 2.115 594 R HA -0.170 4.171 4.340 0.001 0.000 0.230 594 R C 2.113 178.432 176.300 0.031 0.000 1.111 594 R CA 1.009 57.132 56.100 0.038 0.000 0.976 594 R CB -0.312 30.031 30.300 0.072 0.000 0.870 594 R HN 0.310 nan 8.270 nan 0.000 0.445 595 L N 0.085 121.271 121.223 -0.062 0.000 2.056 595 L HA -0.042 4.298 4.340 0.001 0.000 0.207 595 L C 1.642 178.481 176.870 -0.052 0.000 1.078 595 L CA 1.700 56.478 54.840 -0.104 0.000 0.749 595 L CB -0.592 41.312 42.059 -0.260 0.000 0.901 595 L HN 0.119 nan 8.230 nan 0.000 0.433 596 F N -0.252 119.710 119.950 0.020 0.000 2.146 596 F HA -0.166 4.361 4.527 0.001 0.000 0.298 596 F C 2.497 178.422 175.800 0.207 0.000 1.096 596 F CA 1.231 59.315 58.000 0.141 0.000 1.275 596 F CB -0.626 38.470 39.000 0.161 0.000 1.008 596 F HN 0.205 nan 8.300 nan 0.000 0.480 597 A N -0.050 122.985 122.820 0.359 0.000 1.940 597 A HA -0.273 4.047 4.320 0.001 0.000 0.219 597 A C 2.181 179.898 177.584 0.223 0.000 1.176 597 A CA 2.015 54.227 52.037 0.292 0.000 0.631 597 A CB -0.760 18.374 19.000 0.223 0.000 0.814 597 A HN 0.374 nan 8.150 nan 0.000 0.446 598 K N -0.052 120.455 120.400 0.179 0.000 2.026 598 K HA -0.155 4.166 4.320 0.001 0.000 0.208 598 K C 1.836 178.514 176.600 0.130 0.000 1.048 598 K CA 1.744 58.112 56.287 0.136 0.000 0.929 598 K CB -0.192 32.365 32.500 0.095 0.000 0.713 598 K HN 0.428 nan 8.250 nan 0.000 0.439 599 K N 0.295 120.780 120.400 0.142 0.000 2.365 599 K HA -0.022 4.299 4.320 0.001 0.000 0.199 599 K C 1.591 178.293 176.600 0.170 0.000 1.045 599 K CA 0.591 56.964 56.287 0.143 0.000 0.962 599 K CB 0.150 32.734 32.500 0.140 0.000 0.759 599 K HN 0.232 nan 8.250 nan 0.000 0.469 600 L N 0.335 121.680 121.223 0.202 0.000 2.607 600 L HA 0.086 4.426 4.340 0.001 0.000 0.228 600 L C 0.132 177.073 176.870 0.118 0.000 1.123 600 L CA -0.228 54.714 54.840 0.170 0.000 0.890 600 L CB -0.202 41.978 42.059 0.201 0.000 1.103 600 L HN 0.232 nan 8.230 nan 0.000 0.468 601 N N 1.157 119.929 118.700 0.119 0.000 2.776 601 N HA -0.225 4.516 4.740 0.001 0.000 0.249 601 N C 0.252 175.821 175.510 0.097 0.000 1.111 601 N CA 1.010 54.118 53.050 0.097 0.000 0.711 601 N CB -1.091 37.442 38.487 0.076 0.000 1.065 601 N HN 0.602 nan 8.380 nan 0.000 0.556 602 I N -3.775 116.870 120.570 0.124 0.000 3.813 602 I HA 0.279 4.449 4.170 0.001 0.000 0.323 602 I C 1.289 177.529 176.117 0.205 0.000 1.536 602 I CA -0.533 60.846 61.300 0.132 0.000 1.083 602 I CB 0.303 38.361 38.000 0.097 0.000 1.265 602 I HN 0.110 nan 8.210 nan 0.000 0.507 603 E N 2.251 122.573 120.200 0.204 0.000 2.058 603 E HA -0.314 4.037 4.350 0.001 0.000 0.194 603 E C 1.878 178.635 176.600 0.261 0.000 0.997 603 E CA 2.205 58.761 56.400 0.259 0.000 0.801 603 E CB 0.178 29.996 29.700 0.197 0.000 0.746 603 E HN 0.598 nan 8.360 nan 0.000 0.450 604 E N 0.158 120.468 120.200 0.183 0.000 2.058 604 E HA -0.214 4.136 4.350 0.001 0.000 0.194 604 E C 1.926 178.633 176.600 0.178 0.000 0.997 604 E CA 1.935 58.428 56.400 0.155 0.000 0.801 604 E CB -0.144 29.620 29.700 0.106 0.000 0.746 604 E HN 0.290 nan 8.360 nan 0.000 0.450 605 M N -0.643 119.062 119.600 0.174 0.000 2.117 605 M HA 0.002 4.482 4.480 0.001 0.000 0.262 605 M C 1.944 178.399 176.300 0.257 0.000 1.065 605 M CA 1.308 56.712 55.300 0.173 0.000 1.114 605 M CB -0.648 32.023 32.600 0.120 0.000 1.361 605 M HN 0.218 nan 8.290 nan 0.000 0.408 606 F N 0.505 120.562 119.950 0.178 0.000 2.098 606 F HA -0.132 4.396 4.527 0.001 0.000 0.294 606 F C 2.608 178.631 175.800 0.371 0.000 1.107 606 F CA 1.724 59.859 58.000 0.225 0.000 1.234 606 F CB -0.677 38.445 39.000 0.203 0.000 1.002 606 F HN 0.238 nan 8.300 nan 0.000 0.472 607 S N -0.631 115.174 115.700 0.175 0.000 2.446 607 S HA -0.042 4.428 4.470 0.001 0.000 0.225 607 S C 0.915 175.680 174.600 0.275 0.000 1.016 607 S CA 0.684 59.027 58.200 0.238 0.000 0.943 607 S CB -0.569 62.832 63.200 0.334 0.000 0.786 607 S HN 0.567 nan 8.310 nan 0.000 0.508 608 E N 0.438 120.759 120.200 0.202 0.000 2.722 608 E HA -0.201 4.149 4.350 0.001 0.000 0.265 608 E C 0.702 177.299 176.600 -0.004 0.000 1.081 608 E CA 0.292 56.753 56.400 0.101 0.000 0.781 608 E CB -2.229 27.514 29.700 0.071 0.000 1.372 608 E HN 1.047 nan 8.360 nan 0.000 0.423 609 G N 0.347 109.182 108.800 0.059 0.000 2.179 609 G HA2 -0.366 3.594 3.960 0.001 0.000 0.257 609 G HA3 -0.366 3.594 3.960 0.001 0.000 0.257 609 G C -0.009 174.873 174.900 -0.031 0.000 1.010 609 G CA 1.155 46.273 45.100 0.029 0.000 0.736 609 G HN 0.289 nan 8.290 nan 0.000 0.513 610 K N 0.575 120.943 120.400 -0.053 0.000 2.259 610 K HA 0.559 4.880 4.320 0.001 0.000 0.252 610 K C -0.212 176.445 176.600 0.096 0.000 0.936 610 K CA -0.613 55.567 56.287 -0.179 0.000 0.810 610 K CB 1.551 33.594 32.500 -0.760 0.000 1.143 610 K HN 0.295 nan 8.250 nan 0.000 0.427 611 D N 0.234 120.667 120.400 0.055 0.000 2.466 611 D HA 0.061 4.702 4.640 0.001 0.000 0.262 611 D C 0.514 176.826 176.300 0.020 0.000 1.177 611 D CA -0.538 53.566 54.000 0.173 0.000 1.035 611 D CB 0.547 41.431 40.800 0.140 0.000 1.105 611 D HN 0.501 nan 8.370 nan 0.000 0.551 612 E N -1.237 118.943 120.200 -0.033 0.000 2.085 612 E HA -0.158 4.193 4.350 0.001 0.000 0.194 612 E C 1.756 178.390 176.600 0.057 0.000 0.994 612 E CA 0.675 57.036 56.400 -0.066 0.000 0.801 612 E CB -0.141 29.602 29.700 0.072 0.000 0.743 612 E HN 0.289 nan 8.360 nan 0.000 0.453 613 L N 0.518 121.754 121.223 0.021 0.000 2.141 613 L HA -0.093 4.247 4.340 0.001 0.000 0.209 613 L C 2.101 178.870 176.870 -0.169 0.000 1.094 613 L CA 1.717 56.506 54.840 -0.085 0.000 0.763 613 L CB -0.609 41.249 42.059 -0.334 0.000 0.908 613 L HN 0.056 nan 8.230 nan 0.000 0.437 614 A N -1.676 121.032 122.820 -0.187 0.000 1.898 614 A HA -0.223 4.098 4.320 0.001 0.000 0.216 614 A C 2.113 179.522 177.584 -0.293 0.000 1.181 614 A CA 1.553 53.411 52.037 -0.298 0.000 0.620 614 A CB -1.166 17.639 19.000 -0.326 0.000 0.819 614 A HN 0.600 nan 8.150 nan 0.000 0.442 615 W N -0.698 120.483 121.300 -0.199 0.000 2.388 615 W HA -0.160 4.501 4.660 0.001 0.000 0.294 615 W C 2.581 179.029 176.519 -0.117 0.000 1.212 615 W CA 0.877 58.131 57.345 -0.152 0.000 1.271 615 W CB -0.533 28.826 29.460 -0.168 0.000 1.126 615 W HN 0.345 nan 8.180 nan 0.000 0.535 616 C N -0.599 118.756 119.300 0.091 0.000 2.413 616 C HA -0.211 4.249 4.460 0.001 0.000 0.276 616 C C 2.514 177.367 174.990 -0.229 0.000 1.248 616 C CA 1.464 60.513 59.018 0.052 0.000 1.742 616 C CB -1.192 26.654 27.740 0.176 0.000 2.017 616 C HN 0.406 nan 8.230 nan 0.000 0.481 617 E N 0.196 119.953 120.200 -0.740 0.000 2.072 617 E HA -0.253 4.098 4.350 0.001 0.000 0.191 617 E C 2.280 178.641 176.600 -0.397 0.000 0.985 617 E CA 0.995 56.676 56.400 -1.197 0.000 0.801 617 E CB -0.247 28.606 29.700 -1.412 0.000 0.750 617 E HN 0.694 nan 8.360 nan 0.000 0.452 618 Q N -0.525 119.136 119.800 -0.232 0.000 2.084 618 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 618 Q C 1.964 177.979 176.000 0.025 0.000 0.978 618 Q CA 1.529 57.264 55.803 -0.114 0.000 0.844 618 Q CB -0.252 28.409 28.738 -0.129 0.000 0.898 618 Q HN 0.409 nan 8.270 nan 0.000 0.426 619 Y N 0.187 120.504 120.300 0.028 0.000 2.097 619 Y HA -0.314 4.236 4.550 0.001 0.000 0.282 619 Y C 1.955 177.935 175.900 0.134 0.000 1.152 619 Y CA 2.170 60.356 58.100 0.143 0.000 1.136 619 Y CB -0.570 37.994 38.460 0.173 0.000 0.975 619 Y HN 0.284 nan 8.280 nan 0.000 0.498 620 F N 1.354 121.442 119.950 0.229 0.000 2.091 620 F HA -0.332 4.195 4.527 0.001 0.000 0.299 620 F C 2.028 177.872 175.800 0.074 0.000 1.103 620 F CA 2.237 60.366 58.000 0.215 0.000 1.228 620 F CB -0.596 38.611 39.000 0.345 0.000 0.984 620 F HN 0.081 nan 8.300 nan 0.000 0.477 621 N N 0.484 119.311 118.700 0.212 0.000 2.453 621 N HA -0.066 4.675 4.740 0.001 0.000 0.183 621 N C 1.509 176.967 175.510 -0.087 0.000 1.041 621 N CA 1.033 54.120 53.050 0.061 0.000 0.900 621 N CB -0.426 38.095 38.487 0.057 0.000 0.961 621 N HN 0.421 nan 8.380 nan 0.000 0.443 622 A N 0.143 122.885 122.820 -0.130 0.000 2.275 622 A HA 0.090 4.411 4.320 0.001 0.000 0.212 622 A C 1.232 178.757 177.584 -0.098 0.000 1.201 622 A CA 0.195 52.127 52.037 -0.176 0.000 0.843 622 A CB -0.173 18.621 19.000 -0.343 0.000 0.873 622 A HN 0.341 nan 8.150 nan 0.000 0.492 623 T N -4.360 110.077 114.554 -0.194 0.000 2.876 623 T HA 0.410 4.761 4.350 0.001 0.000 0.277 623 T C 0.071 174.649 174.700 -0.203 0.000 0.997 623 T CA -0.138 61.817 62.100 -0.241 0.000 0.966 623 T CB 0.862 69.442 68.868 -0.481 0.000 1.312 623 T HN -0.073 nan 8.240 nan 0.000 0.598 624 D N -0.230 120.011 120.400 -0.265 0.000 2.340 624 D HA 0.137 4.777 4.640 0.001 0.000 0.220 624 D C 1.839 178.109 176.300 -0.051 0.000 1.039 624 D CA 0.142 53.992 54.000 -0.251 0.000 0.866 624 D CB -0.106 40.344 40.800 -0.585 0.000 0.913 624 D HN 0.293 nan 8.370 nan 0.000 0.523 625 M N 0.370 119.904 119.600 -0.110 0.000 2.106 625 M HA -0.116 4.364 4.480 0.001 0.000 0.259 625 M C -0.800 175.429 176.300 -0.119 0.000 1.068 625 M CA 1.436 56.661 55.300 -0.125 0.000 1.100 625 M CB -2.015 30.093 32.600 -0.820 0.000 1.351 625 M HN -0.032 nan 8.290 nan 0.000 0.404 626 P HA -0.173 nan 4.420 nan 0.000 0.220 626 P C 1.114 178.429 177.300 0.025 0.000 1.144 626 P CA 1.277 64.395 63.100 0.029 0.000 0.800 626 P CB -0.200 31.509 31.700 0.016 0.000 0.772 627 K N -2.220 118.175 120.400 -0.010 0.000 2.211 627 K HA -0.107 4.213 4.320 0.001 0.000 0.203 627 K C 1.438 177.885 176.600 -0.256 0.000 1.050 627 K CA 1.258 57.469 56.287 -0.128 0.000 0.945 627 K CB -0.243 32.157 32.500 -0.166 0.000 0.732 627 K HN 0.314 nan 8.250 nan 0.000 0.451 628 Y N -0.316 119.987 120.300 0.005 0.000 2.558 628 Y HA 0.222 4.773 4.550 0.001 0.000 0.273 628 Y C 0.961 176.799 175.900 -0.104 0.000 1.100 628 Y CA -0.329 57.724 58.100 -0.077 0.000 1.276 628 Y CB 0.653 38.952 38.460 -0.269 0.000 1.196 628 Y HN -0.050 nan 8.280 nan 0.000 0.527 629 M N -1.166 118.486 119.600 0.087 0.000 2.643 629 M HA 0.444 4.924 4.480 0.001 0.000 0.276 629 M C -0.799 175.675 176.300 0.290 0.000 1.200 629 M CA -0.927 54.451 55.300 0.130 0.000 0.863 629 M CB 1.816 34.454 32.600 0.063 0.000 1.711 629 M HN -0.051 nan 8.290 nan 0.000 0.492 630 T N -1.807 112.881 114.554 0.223 0.000 2.816 630 T HA 0.161 4.511 4.350 0.001 0.000 0.282 630 T C 0.790 175.577 174.700 0.145 0.000 0.993 630 T CA -0.466 61.789 62.100 0.259 0.000 0.994 630 T CB 1.266 70.223 68.868 0.148 0.000 1.025 630 T HN 0.937 nan 8.240 nan 0.000 0.529 631 W N 1.438 122.637 121.300 -0.169 0.000 2.335 631 W HA -0.205 4.456 4.660 0.001 0.000 0.311 631 W C 0.993 177.397 176.519 -0.192 0.000 1.213 631 W CA 1.920 58.921 57.345 -0.573 0.000 1.274 631 W CB -0.492 28.737 29.460 -0.385 0.000 1.148 631 W HN 0.715 nan 8.180 nan 0.000 0.498 632 D N 0.356 120.639 120.400 -0.194 0.000 2.149 632 D HA -0.206 4.435 4.640 0.001 0.000 0.198 632 D C 1.976 178.177 176.300 -0.164 0.000 0.990 632 D CA 1.981 55.845 54.000 -0.226 0.000 0.839 632 D CB -0.575 40.191 40.800 -0.056 0.000 0.948 632 D HN 0.448 nan 8.370 nan 0.000 0.460 633 E N -0.450 119.700 120.200 -0.082 0.000 2.072 633 E HA -0.133 4.217 4.350 0.001 0.000 0.191 633 E C 1.919 178.479 176.600 -0.067 0.000 0.985 633 E CA 0.361 56.736 56.400 -0.043 0.000 0.801 633 E CB -0.210 29.502 29.700 0.020 0.000 0.750 633 E HN 0.234 nan 8.360 nan 0.000 0.452 634 F N 1.160 120.967 119.950 -0.237 0.000 2.102 634 F HA -0.202 4.326 4.527 0.001 0.000 0.298 634 F C 2.026 177.635 175.800 -0.318 0.000 1.105 634 F CA 1.164 59.024 58.000 -0.233 0.000 1.239 634 F CB -0.386 38.463 39.000 -0.252 0.000 0.991 634 F HN -0.051 nan 8.300 nan 0.000 0.474 635 F N 1.305 120.785 119.950 -0.783 0.000 2.161 635 F HA -0.206 4.321 4.527 0.001 0.000 0.300 635 F C 2.476 177.981 175.800 -0.492 0.000 1.089 635 F CA 2.267 59.764 58.000 -0.837 0.000 1.282 635 F CB -0.528 37.854 39.000 -1.029 0.000 1.010 635 F HN 0.005 nan 8.300 nan 0.000 0.485 636 K N 0.227 120.451 120.400 -0.294 0.000 2.116 636 K HA -0.168 4.152 4.320 0.001 0.000 0.203 636 K C 2.318 178.759 176.600 -0.264 0.000 1.052 636 K CA 1.165 57.313 56.287 -0.231 0.000 0.952 636 K CB -0.165 32.275 32.500 -0.100 0.000 0.729 636 K HN 0.208 nan 8.250 nan 0.000 0.446 637 K N -0.994 119.238 120.400 -0.281 0.000 2.062 637 K HA -0.089 4.231 4.320 0.001 0.000 0.205 637 K C 1.132 177.564 176.600 -0.280 0.000 1.051 637 K CA 1.548 57.680 56.287 -0.259 0.000 0.941 637 K CB 0.072 32.421 32.500 -0.251 0.000 0.719 637 K HN 0.409 nan 8.250 nan 0.000 0.440 638 G N -0.427 108.086 108.800 -0.478 0.000 2.299 638 G HA2 -0.297 3.663 3.960 0.001 0.000 0.237 638 G HA3 -0.297 3.663 3.960 0.001 0.000 0.237 638 G C -0.044 174.712 174.900 -0.241 0.000 1.027 638 G CA 0.648 45.515 45.100 -0.388 0.000 0.619 638 G HN 0.515 nan 8.290 nan 0.000 0.513 639 Y N -2.062 118.113 120.300 -0.209 0.000 2.609 639 Y HA 0.771 5.321 4.550 0.001 0.000 0.336 639 Y C -1.505 174.542 175.900 0.246 0.000 1.129 639 Y CA -2.402 55.723 58.100 0.042 0.000 1.040 639 Y CB 1.022 39.494 38.460 0.020 0.000 1.310 639 Y HN 0.700 nan 8.280 nan 0.000 0.460 640 F N 2.630 122.685 119.950 0.174 0.000 2.557 640 F HA 0.704 5.232 4.527 0.001 0.000 0.316 640 F C -1.867 173.897 175.800 -0.060 0.000 1.141 640 F CA -1.288 56.706 58.000 -0.009 0.000 0.922 640 F CB 1.867 40.946 39.000 0.131 0.000 1.194 640 F HN 0.517 nan 8.300 nan 0.000 0.443 641 V N 6.811 126.187 119.914 -0.897 0.000 2.385 641 V HA 0.257 4.378 4.120 0.001 0.000 0.269 641 V C -0.099 175.196 176.094 -1.331 0.000 1.043 641 V CA -0.788 60.984 62.300 -0.879 0.000 0.906 641 V CB 0.962 32.270 31.823 -0.859 0.000 0.995 641 V HN 0.596 nan 8.190 nan 0.000 0.467 642 V N 8.628 127.949 119.914 -0.988 0.000 2.599 642 V HA 0.100 4.220 4.120 0.001 0.000 0.300 642 V C -1.741 173.980 176.094 -0.623 0.000 1.034 642 V CA -0.913 60.805 62.300 -0.969 0.000 1.115 642 V CB 0.531 31.909 31.823 -0.740 0.000 0.934 642 V HN 0.762 nan 8.190 nan 0.000 0.485 643 P HA 0.115 nan 4.420 nan 0.000 0.270 643 P C -0.509 176.727 177.300 -0.107 0.000 1.223 643 P CA -0.299 62.647 63.100 -0.257 0.000 0.785 643 P CB 0.426 32.039 31.700 -0.145 0.000 0.923 644 D N 0.750 121.147 120.400 -0.004 0.000 2.344 644 D HA 0.062 4.703 4.640 0.001 0.000 0.244 644 D C -0.165 176.173 176.300 0.064 0.000 1.134 644 D CA 0.029 54.069 54.000 0.067 0.000 0.930 644 D CB 0.165 41.039 40.800 0.125 0.000 1.175 644 D HN 0.090 nan 8.370 nan 0.000 0.437 645 N N 2.541 121.278 118.700 0.062 0.000 2.918 645 N HA 0.266 5.006 4.740 0.001 0.000 0.270 645 N C -2.197 173.346 175.510 0.054 0.000 1.536 645 N CA -1.771 51.319 53.050 0.067 0.000 0.877 645 N CB 1.047 39.575 38.487 0.069 0.000 1.190 645 N HN 0.174 nan 8.380 nan 0.000 0.492 646 P HA -0.092 nan 4.420 nan 0.000 0.217 646 P C 0.587 177.917 177.300 0.051 0.000 1.151 646 P CA 1.243 64.381 63.100 0.064 0.000 0.849 646 P CB 0.400 32.140 31.700 0.068 0.000 0.787 647 N N -1.026 117.704 118.700 0.050 0.000 2.353 647 N HA -0.000 4.740 4.740 0.001 0.000 0.185 647 N C 0.658 176.194 175.510 0.044 0.000 1.098 647 N CA 0.089 53.166 53.050 0.045 0.000 0.872 647 N CB -0.254 38.260 38.487 0.045 0.000 0.970 647 N HN 0.355 nan 8.380 nan 0.000 0.467 648 R N 2.184 122.711 120.500 0.045 0.000 2.623 648 R HA 0.069 4.409 4.340 0.001 0.000 0.271 648 R C 0.205 176.532 176.300 0.046 0.000 1.043 648 R CA -0.400 55.730 56.100 0.049 0.000 1.083 648 R CB 0.399 30.731 30.300 0.053 0.000 0.974 648 R HN 0.002 nan 8.270 nan 0.000 0.436 649 K N 2.534 122.965 120.400 0.051 0.000 2.382 649 K HA 0.111 4.432 4.320 0.001 0.000 0.275 649 K C -0.713 175.928 176.600 0.069 0.000 1.009 649 K CA -0.552 55.767 56.287 0.053 0.000 0.970 649 K CB 0.784 33.313 32.500 0.048 0.000 0.934 649 K HN 0.353 nan 8.250 nan 0.000 0.479 650 K N 2.453 122.894 120.400 0.069 0.000 2.249 650 K HA 0.132 4.453 4.320 0.001 0.000 0.280 650 K C -0.364 176.301 176.600 0.108 0.000 1.033 650 K CA -0.408 55.934 56.287 0.092 0.000 0.946 650 K CB 1.331 33.871 32.500 0.067 0.000 1.005 650 K HN 0.886 nan 8.250 nan 0.000 0.469 651 T N -1.700 112.941 114.554 0.144 0.000 3.068 651 T HA 0.273 4.623 4.350 0.001 0.000 0.364 651 T C 0.007 174.817 174.700 0.183 0.000 1.161 651 T CA -0.842 61.343 62.100 0.143 0.000 1.155 651 T CB 0.236 69.161 68.868 0.095 0.000 1.060 651 T HN 0.095 nan 8.240 nan 0.000 0.513 652 V N 3.178 123.189 119.914 0.163 0.000 2.655 652 V HA 0.453 4.573 4.120 0.001 0.000 0.300 652 V C 1.417 177.629 176.094 0.197 0.000 1.044 652 V CA -0.440 61.949 62.300 0.147 0.000 1.095 652 V CB 0.057 31.936 31.823 0.093 0.000 0.952 652 V HN 1.151 nan 8.190 nan 0.000 0.485 653 A N 5.500 128.434 122.820 0.190 0.000 2.598 653 A HA 0.211 4.532 4.320 0.001 0.000 0.239 653 A C 1.144 178.813 177.584 0.141 0.000 1.032 653 A CA 0.356 52.523 52.037 0.216 0.000 0.760 653 A CB -0.672 18.392 19.000 0.106 0.000 0.946 653 A HN 1.292 nan 8.150 nan 0.000 0.512 654 L N -0.280 121.009 121.223 0.111 0.000 4.739 654 L HA -0.320 4.021 4.340 0.001 0.000 0.437 654 L C 2.031 178.773 176.870 -0.213 0.000 1.117 654 L CA 1.351 56.054 54.840 -0.228 0.000 0.970 654 L CB -1.236 40.797 42.059 -0.043 0.000 1.965 654 L HN 0.967 nan 8.230 nan 0.000 0.872 655 R N 1.093 121.586 120.500 -0.012 0.000 2.115 655 R HA -0.154 4.187 4.340 0.001 0.000 0.230 655 R C 2.230 178.565 176.300 0.059 0.000 1.111 655 R CA 1.934 58.064 56.100 0.049 0.000 0.976 655 R CB -0.182 30.185 30.300 0.111 0.000 0.870 655 R HN 0.757 nan 8.270 nan 0.000 0.445 656 W N -0.349 121.030 121.300 0.131 0.000 2.363 656 W HA -0.194 4.467 4.660 0.001 0.000 0.296 656 W C 1.462 178.059 176.519 0.130 0.000 1.212 656 W CA 0.210 57.616 57.345 0.102 0.000 1.260 656 W CB -1.237 28.275 29.460 0.087 0.000 1.131 656 W HN 0.028 nan 8.180 nan 0.000 0.530 657 F N 2.917 122.413 119.950 -0.756 0.000 2.113 657 F HA 0.085 4.612 4.527 0.001 0.000 0.297 657 F C 2.633 178.254 175.800 -0.298 0.000 1.103 657 F CA 2.466 60.060 58.000 -0.677 0.000 1.248 657 F CB -0.900 37.475 39.000 -1.042 0.000 0.999 657 F HN -0.099 nan 8.300 nan 0.000 0.475 658 A N -0.137 122.540 122.820 -0.238 0.000 1.972 658 A HA -0.181 4.140 4.320 0.001 0.000 0.219 658 A C 1.930 179.403 177.584 -0.184 0.000 1.169 658 A CA 1.844 53.793 52.037 -0.146 0.000 0.635 658 A CB -0.750 18.337 19.000 0.145 0.000 0.810 658 A HN 0.595 nan 8.150 nan 0.000 0.446 659 E N -1.362 118.774 120.200 -0.107 0.000 2.463 659 E HA 0.302 4.653 4.350 0.001 0.000 0.193 659 E C 0.836 177.394 176.600 -0.070 0.000 1.041 659 E CA 0.121 56.484 56.400 -0.060 0.000 0.879 659 E CB -0.002 29.706 29.700 0.014 0.000 0.997 659 E HN 0.663 nan 8.360 nan 0.000 0.478 660 G N 3.016 111.735 108.800 -0.135 0.000 2.305 660 G HA2 -0.345 3.615 3.960 0.001 0.000 0.287 660 G HA3 -0.345 3.615 3.960 0.001 0.000 0.287 660 G C 0.183 175.102 174.900 0.033 0.000 1.036 660 G CA 1.054 46.100 45.100 -0.089 0.000 0.887 660 G HN 0.357 nan 8.290 nan 0.000 0.505 661 R N -1.542 119.034 120.500 0.126 0.000 3.029 661 R HA 0.755 5.096 4.340 0.001 0.000 0.239 661 R C -0.435 175.999 176.300 0.223 0.000 1.351 661 R CA -1.091 55.094 56.100 0.141 0.000 1.052 661 R CB 0.933 31.299 30.300 0.111 0.000 1.354 661 R HN 0.078 nan 8.270 nan 0.000 0.499 662 E N 1.790 122.053 120.200 0.106 0.000 2.392 662 E HA 0.007 4.358 4.350 0.001 0.000 0.264 662 E C -0.535 175.989 176.600 -0.126 0.000 1.024 662 E CA -0.179 56.222 56.400 0.002 0.000 0.903 662 E CB 0.567 30.231 29.700 -0.060 0.000 0.963 662 E HN 0.240 nan 8.360 nan 0.000 0.432 663 K N 3.219 123.297 120.400 -0.536 0.000 2.511 663 K HA -0.100 4.220 4.320 0.001 0.000 0.280 663 K C -0.388 175.794 176.600 -0.697 0.000 1.008 663 K CA 0.426 55.889 56.287 -1.374 0.000 1.050 663 K CB 0.369 31.930 32.500 -1.564 0.000 0.889 663 K HN 0.644 nan 8.250 nan 0.000 0.484 664 D N 1.468 121.523 120.400 -0.576 0.000 2.527 664 D HA -0.021 4.620 4.640 0.001 0.000 0.224 664 D C 0.336 176.521 176.300 -0.192 0.000 1.217 664 D CA -0.274 53.579 54.000 -0.245 0.000 0.819 664 D CB -0.056 40.703 40.800 -0.068 0.000 1.061 664 D HN 0.496 nan 8.370 nan 0.000 0.515 665 T N -2.238 112.162 114.554 -0.256 0.000 2.824 665 T HA 0.450 4.800 4.350 0.001 0.000 0.277 665 T C -1.979 172.498 174.700 -0.372 0.000 0.975 665 T CA -1.331 60.605 62.100 -0.273 0.000 0.966 665 T CB 1.588 70.352 68.868 -0.173 0.000 1.054 665 T HN -0.331 nan 8.240 nan 0.000 0.533 666 P HA 0.208 nan 4.420 nan 0.000 0.249 666 P C -0.056 177.178 177.300 -0.112 0.000 1.229 666 P CA -0.053 62.831 63.100 -0.360 0.000 0.788 666 P CB -0.106 31.363 31.700 -0.384 0.000 1.072 667 D N -1.020 119.309 120.400 -0.118 0.000 2.443 667 D HA -0.108 4.532 4.640 0.001 0.000 0.234 667 D C 0.225 176.645 176.300 0.200 0.000 1.172 667 D CA 0.194 54.344 54.000 0.250 0.000 0.878 667 D CB 0.353 41.380 40.800 0.379 0.000 1.204 667 D HN 0.024 nan 8.370 nan 0.000 0.453 668 W N 1.850 122.997 121.300 -0.254 0.000 3.377 668 W HA 0.379 5.040 4.660 0.001 0.000 0.277 668 W C 0.840 176.777 176.519 -0.971 0.000 1.311 668 W CA -0.226 56.802 57.345 -0.529 0.000 1.703 668 W CB -0.486 28.569 29.460 -0.675 0.000 1.095 668 W HN 0.370 nan 8.180 nan 0.000 0.715 669 G N -0.515 107.581 108.800 -1.172 0.000 2.550 669 G HA2 0.466 4.426 3.960 0.001 0.000 0.293 669 G HA3 0.466 4.426 3.960 0.001 0.000 0.293 669 G C -3.086 171.107 174.900 -1.178 0.000 1.402 669 G CA -1.131 42.823 45.100 -1.909 0.000 0.784 669 G HN -0.423 nan 8.290 nan 0.000 0.482 670 P HA 0.291 nan 4.420 nan 0.000 0.276 670 P C -0.349 176.633 177.300 -0.529 0.000 1.244 670 P CA -0.369 62.224 63.100 -0.844 0.000 0.801 670 P CB 1.154 32.729 31.700 -0.209 0.000 1.006 671 R N 0.786 121.067 120.500 -0.366 0.000 2.694 671 R HA 0.142 4.483 4.340 0.001 0.000 0.268 671 R C 1.834 178.034 176.300 -0.167 0.000 1.061 671 R CA -0.427 55.539 56.100 -0.224 0.000 1.133 671 R CB 0.021 30.244 30.300 -0.127 0.000 1.020 671 R HN 0.476 nan 8.270 nan 0.000 0.475 672 L N 1.950 123.085 121.223 -0.146 0.000 2.043 672 L HA -0.303 4.038 4.340 0.001 0.000 0.212 672 L C 1.850 178.671 176.870 -0.081 0.000 1.075 672 L CA 2.236 57.005 54.840 -0.118 0.000 0.752 672 L CB -0.710 41.283 42.059 -0.111 0.000 0.891 672 L HN 0.769 nan 8.230 nan 0.000 0.432 673 N N -0.924 117.736 118.700 -0.066 0.000 2.520 673 N HA -0.176 4.564 4.740 0.001 0.000 0.185 673 N C 1.034 176.525 175.510 -0.031 0.000 1.068 673 N CA 0.984 54.009 53.050 -0.042 0.000 0.911 673 N CB -0.368 38.101 38.487 -0.030 0.000 0.961 673 N HN 0.397 nan 8.380 nan 0.000 0.446 674 N N -0.863 117.812 118.700 -0.041 0.000 2.268 674 N HA 0.122 4.863 4.740 0.001 0.000 0.204 674 N C -0.698 174.803 175.510 -0.016 0.000 1.124 674 N CA -0.120 52.916 53.050 -0.023 0.000 0.838 674 N CB 0.362 38.839 38.487 -0.017 0.000 0.994 674 N HN 0.319 nan 8.380 nan 0.000 0.489 675 Q N -0.192 119.593 119.800 -0.026 0.000 2.495 675 Q HA 0.488 4.829 4.340 0.001 0.000 0.287 675 Q C -1.309 174.686 176.000 -0.008 0.000 1.078 675 Q CA -0.885 54.913 55.803 -0.009 0.000 0.793 675 Q CB 2.987 31.708 28.738 -0.029 0.000 1.459 675 Q HN -0.109 nan 8.270 nan 0.000 0.422 676 V N 1.007 120.926 119.914 0.009 0.000 2.334 676 V HA 0.132 4.253 4.120 0.001 0.000 0.281 676 V C -0.128 175.967 176.094 0.002 0.000 1.016 676 V CA -0.480 61.822 62.300 0.004 0.000 0.832 676 V CB 1.022 32.853 31.823 0.014 0.000 0.999 676 V HN 1.076 nan 8.190 nan 0.000 0.439 677 C N 5.153 124.444 119.300 -0.015 0.000 4.365 677 C HA -0.151 4.309 4.460 0.001 0.000 0.299 677 C C 1.441 176.414 174.990 -0.029 0.000 1.409 677 C CA 0.809 59.814 59.018 -0.022 0.000 2.007 677 C CB -2.432 25.302 27.740 -0.010 0.000 1.264 677 C HN 1.217 nan 8.230 nan 0.000 0.777 678 R N -1.728 118.744 120.500 -0.046 0.000 3.405 678 R HA -0.242 4.099 4.340 0.001 0.000 0.258 678 R C -0.480 175.792 176.300 -0.047 0.000 1.030 678 R CA 1.767 57.819 56.100 -0.081 0.000 0.691 678 R CB -1.783 28.437 30.300 -0.134 0.000 1.093 678 R HN 0.776 nan 8.270 nan 0.000 0.448 679 K N 0.223 120.650 120.400 0.044 0.000 2.328 679 K HA 0.698 5.018 4.320 0.001 0.000 0.246 679 K C 0.377 177.126 176.600 0.247 0.000 0.955 679 K CA -0.362 56.027 56.287 0.170 0.000 0.817 679 K CB 2.155 34.731 32.500 0.126 0.000 1.208 679 K HN 0.401 nan 8.250 nan 0.000 0.432 680 G N 0.795 109.869 108.800 0.456 0.000 2.795 680 G HA2 -0.207 3.754 3.960 0.001 0.000 0.664 680 G HA3 -0.207 3.754 3.960 0.001 0.000 0.664 680 G C -0.594 174.522 174.900 0.360 0.000 1.381 680 G CA -0.936 44.417 45.100 0.422 0.000 0.853 680 G HN 0.397 nan 8.290 nan 0.000 0.545 681 L N 0.054 121.367 121.223 0.149 0.000 2.479 681 L HA 0.362 4.703 4.340 0.001 0.000 0.248 681 L C 2.240 179.115 176.870 0.008 0.000 1.205 681 L CA 0.124 54.934 54.840 -0.050 0.000 0.817 681 L CB 0.656 42.564 42.059 -0.252 0.000 1.162 681 L HN 0.897 nan 8.230 nan 0.000 0.486 682 Q N 0.190 119.973 119.800 -0.028 0.000 2.364 682 Q HA -0.072 4.268 4.340 0.001 0.000 0.207 682 Q C 0.574 176.578 176.000 0.008 0.000 0.970 682 Q CA 0.772 56.589 55.803 0.023 0.000 0.888 682 Q CB 0.022 28.824 28.738 0.107 0.000 0.951 682 Q HN 0.836 nan 8.270 nan 0.000 0.469 683 T N -2.216 112.338 114.554 -0.000 0.000 2.791 683 T HA -0.003 4.348 4.350 0.001 0.000 0.323 683 T C 1.049 175.757 174.700 0.014 0.000 1.082 683 T CA 0.240 62.350 62.100 0.016 0.000 1.084 683 T CB 0.917 69.808 68.868 0.038 0.000 0.992 683 T HN 0.074 nan 8.240 nan 0.000 0.547 684 T N 1.615 116.172 114.554 0.005 0.000 2.635 684 T HA -0.163 4.187 4.350 0.001 0.000 0.267 684 T C 2.290 176.978 174.700 -0.020 0.000 1.040 684 T CA 2.297 64.393 62.100 -0.007 0.000 1.156 684 T CB -1.008 67.851 68.868 -0.015 0.000 0.863 684 T HN 1.000 nan 8.240 nan 0.000 0.430 685 T N -1.206 113.315 114.554 -0.056 0.000 3.055 685 T HA 0.285 4.636 4.350 0.001 0.000 0.265 685 T C 1.841 176.560 174.700 0.032 0.000 1.111 685 T CA 1.091 63.159 62.100 -0.053 0.000 1.118 685 T CB -0.361 68.409 68.868 -0.163 0.000 0.909 685 T HN 0.613 nan 8.240 nan 0.000 0.501 686 G N 1.053 109.887 108.800 0.057 0.000 2.179 686 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 686 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 686 G C -0.002 175.021 174.900 0.205 0.000 0.977 686 G CA 0.485 45.653 45.100 0.114 0.000 0.641 686 G HN 0.709 nan 8.290 nan 0.000 0.533 687 K N -0.878 119.635 120.400 0.189 0.000 2.316 687 K HA 0.697 5.018 4.320 0.001 0.000 0.234 687 K C 0.083 176.838 176.600 0.259 0.000 1.054 687 K CA -0.998 55.469 56.287 0.299 0.000 0.879 687 K CB 2.067 34.728 32.500 0.267 0.000 1.252 687 K HN -0.003 nan 8.250 nan 0.000 0.471 688 V N 2.494 122.610 119.914 0.338 0.000 2.415 688 V HA 0.020 4.140 4.120 0.001 0.000 0.267 688 V C -0.260 175.996 176.094 0.269 0.000 1.042 688 V CA 0.158 62.603 62.300 0.241 0.000 1.000 688 V CB 0.142 32.121 31.823 0.260 0.000 1.015 688 V HN 0.588 nan 8.190 nan 0.000 0.478 689 E N 4.771 125.075 120.200 0.173 0.000 1.963 689 E HA 0.210 4.560 4.350 0.001 0.000 0.274 689 E C -0.002 176.677 176.600 0.132 0.000 1.061 689 E CA -0.222 56.340 56.400 0.271 0.000 0.847 689 E CB 0.484 30.331 29.700 0.246 0.000 1.083 689 E HN 0.615 nan 8.360 nan 0.000 0.402 690 F N 1.461 121.445 119.950 0.057 0.000 2.365 690 F HA -0.017 4.510 4.527 0.001 0.000 0.300 690 F C 1.021 176.849 175.800 0.048 0.000 1.090 690 F CA 0.739 58.692 58.000 -0.078 0.000 1.408 690 F CB 0.167 39.045 39.000 -0.203 0.000 1.060 690 F HN 0.337 nan 8.300 nan 0.000 0.534 691 I N 0.385 121.122 120.570 0.278 0.000 2.464 691 I HA 0.322 4.493 4.170 0.001 0.000 0.277 691 I C -0.101 176.165 176.117 0.249 0.000 1.040 691 I CA -0.891 60.543 61.300 0.224 0.000 1.153 691 I CB 0.905 39.014 38.000 0.181 0.000 1.274 691 I HN -0.190 nan 8.210 nan 0.000 0.469 692 A N 4.002 126.930 122.820 0.180 0.000 2.491 692 A HA 0.227 4.547 4.320 0.001 0.000 0.261 692 A C 1.521 179.203 177.584 0.162 0.000 1.101 692 A CA 0.189 52.326 52.037 0.167 0.000 0.772 692 A CB 0.059 19.142 19.000 0.139 0.000 1.043 692 A HN 0.858 nan 8.150 nan 0.000 0.501 693 T N 0.534 115.180 114.554 0.154 0.000 2.821 693 T HA -0.193 4.158 4.350 0.001 0.000 0.267 693 T C 1.954 176.723 174.700 0.115 0.000 1.046 693 T CA 1.709 63.883 62.100 0.124 0.000 1.139 693 T CB -0.695 68.211 68.868 0.063 0.000 0.871 693 T HN 1.014 nan 8.240 nan 0.000 0.454 694 S N 2.496 118.272 115.700 0.126 0.000 2.356 694 S HA 0.008 4.478 4.470 0.001 0.000 0.223 694 S C 2.128 176.789 174.600 0.101 0.000 1.032 694 S CA 1.012 59.290 58.200 0.130 0.000 1.005 694 S CB -1.031 62.300 63.200 0.219 0.000 0.867 694 S HN 0.503 nan 8.310 nan 0.000 0.449 695 L N 1.233 122.487 121.223 0.051 0.000 2.093 695 L HA 0.004 4.345 4.340 0.001 0.000 0.208 695 L C 2.900 179.860 176.870 0.151 0.000 1.085 695 L CA 1.462 56.330 54.840 0.047 0.000 0.755 695 L CB -0.488 41.547 42.059 -0.040 0.000 0.904 695 L HN 0.371 nan 8.230 nan 0.000 0.435 696 K N 0.751 121.227 120.400 0.128 0.000 2.057 696 K HA -0.189 4.131 4.320 0.001 0.000 0.207 696 K C 1.771 178.448 176.600 0.128 0.000 1.049 696 K CA 1.730 58.092 56.287 0.124 0.000 0.931 696 K CB -0.041 32.532 32.500 0.123 0.000 0.714 696 K HN 0.374 nan 8.250 nan 0.000 0.440 697 N N -0.482 118.300 118.700 0.138 0.000 2.084 697 N HA -0.184 4.556 4.740 0.001 0.000 0.190 697 N C 1.710 177.331 175.510 0.186 0.000 1.030 697 N CA 1.186 54.319 53.050 0.138 0.000 0.849 697 N CB -0.207 38.358 38.487 0.130 0.000 1.012 697 N HN 0.086 nan 8.380 nan 0.000 0.423 698 F N 2.588 122.549 119.950 0.020 0.000 2.095 698 F HA -0.197 4.331 4.527 0.001 0.000 0.298 698 F C 2.294 178.145 175.800 0.084 0.000 1.104 698 F CA 1.569 59.569 58.000 0.001 0.000 1.232 698 F CB -0.367 38.581 39.000 -0.086 0.000 0.987 698 F HN 0.145 nan 8.300 nan 0.000 0.475 699 E N -0.584 119.668 120.200 0.086 0.000 2.150 699 E HA -0.198 4.152 4.350 0.001 0.000 0.193 699 E C 1.815 178.405 176.600 -0.016 0.000 0.985 699 E CA 1.418 57.810 56.400 -0.014 0.000 0.814 699 E CB -0.764 28.968 29.700 0.052 0.000 0.752 699 E HN 0.557 nan 8.360 nan 0.000 0.466 700 E N 0.993 121.210 120.200 0.030 0.000 2.268 700 E HA -0.140 4.211 4.350 0.001 0.000 0.195 700 E C 1.700 178.300 176.600 0.000 0.000 0.995 700 E CA 0.654 57.066 56.400 0.020 0.000 0.836 700 E CB -0.007 29.719 29.700 0.044 0.000 0.763 700 E HN 0.373 nan 8.360 nan 0.000 0.491 701 Q N -0.671 119.138 119.800 0.015 0.000 2.444 701 Q HA 0.063 4.404 4.340 0.001 0.000 0.206 701 Q C 0.931 176.852 176.000 -0.131 0.000 0.948 701 Q CA 0.453 56.265 55.803 0.015 0.000 0.946 701 Q CB 0.759 29.588 28.738 0.151 0.000 1.027 701 Q HN 0.393 nan 8.270 nan 0.000 0.513 702 G N -0.165 108.527 108.800 -0.181 0.000 2.176 702 G HA2 -0.273 3.688 3.960 0.001 0.000 0.232 702 G HA3 -0.273 3.688 3.960 0.001 0.000 0.232 702 G C -0.342 174.284 174.900 -0.457 0.000 0.986 702 G CA -0.515 44.403 45.100 -0.303 0.000 0.643 702 G HN 0.364 nan 8.290 nan 0.000 0.522 703 Y N 1.885 121.875 120.300 -0.516 0.000 2.724 703 Y HA 0.454 5.004 4.550 0.001 0.000 0.332 703 Y C 0.986 176.658 175.900 -0.379 0.000 1.276 703 Y CA -1.038 56.612 58.100 -0.750 0.000 1.597 703 Y CB 0.105 37.336 38.460 -2.049 0.000 1.584 703 Y HN 0.078 nan 8.280 nan 0.000 0.478 704 I N 2.372 122.945 120.570 0.004 0.000 2.533 704 I HA 0.031 4.201 4.170 0.001 0.000 0.284 704 I C 0.116 176.376 176.117 0.239 0.000 1.109 704 I CA 0.020 61.375 61.300 0.091 0.000 1.412 704 I CB 0.565 38.591 38.000 0.044 0.000 1.396 704 I HN 0.443 nan 8.210 nan 0.000 0.543 705 D N 5.634 126.180 120.400 0.242 0.000 2.358 705 D HA 0.085 4.725 4.640 0.001 0.000 0.253 705 D C 0.892 177.301 176.300 0.183 0.000 1.288 705 D CA -0.344 53.822 54.000 0.277 0.000 0.950 705 D CB 1.061 42.130 40.800 0.448 0.000 1.197 705 D HN 0.656 nan 8.370 nan 0.000 0.550 706 E N 2.063 122.342 120.200 0.131 0.000 2.130 706 E HA -0.253 4.097 4.350 0.001 0.000 0.196 706 E C 0.198 176.760 176.600 -0.064 0.000 0.998 706 E CA 1.294 57.708 56.400 0.023 0.000 0.806 706 E CB 0.111 29.806 29.700 -0.008 0.000 0.738 706 E HN 0.512 nan 8.360 nan 0.000 0.459 707 H N -0.764 118.381 119.070 0.125 0.000 2.555 707 H HA 0.259 4.815 4.556 0.001 0.000 0.283 707 H C 0.061 175.483 175.328 0.156 0.000 1.037 707 H CA 0.324 56.467 56.048 0.157 0.000 1.169 707 H CB 0.258 30.154 29.762 0.223 0.000 1.375 707 H HN -0.086 nan 8.280 nan 0.000 0.582 708 R N 1.344 121.966 120.500 0.203 0.000 2.924 708 R HA 0.139 4.479 4.340 0.001 0.000 0.233 708 R C -3.249 173.139 176.300 0.148 0.000 1.685 708 R CA -1.437 54.774 56.100 0.185 0.000 1.462 708 R CB 0.698 31.133 30.300 0.224 0.000 1.542 708 R HN 0.108 nan 8.270 nan 0.000 0.667 709 P HA 0.069 nan 4.420 nan 0.000 0.274 709 P C 0.618 177.973 177.300 0.090 0.000 1.231 709 P CA -0.056 63.095 63.100 0.084 0.000 0.790 709 P CB 1.519 33.244 31.700 0.041 0.000 0.951 710 S N 2.106 117.858 115.700 0.088 0.000 2.399 710 S HA -0.113 4.358 4.470 0.001 0.000 0.231 710 S C 1.152 175.820 174.600 0.112 0.000 1.022 710 S CA 0.645 58.901 58.200 0.093 0.000 0.983 710 S CB -0.550 62.711 63.200 0.102 0.000 0.803 710 S HN 0.593 nan 8.310 nan 0.000 0.480 711 M N 2.496 122.160 119.600 0.107 0.000 2.233 711 M HA 0.277 4.757 4.480 0.001 0.000 0.355 711 M C -0.408 176.008 176.300 0.193 0.000 1.191 711 M CA -0.655 54.737 55.300 0.154 0.000 1.101 711 M CB 0.863 33.526 32.600 0.107 0.000 1.592 711 M HN 0.332 nan 8.290 nan 0.000 0.461 712 H N 4.195 123.381 119.070 0.193 0.000 3.082 712 H HA 0.292 4.848 4.556 0.001 0.000 0.275 712 H C -0.944 174.686 175.328 0.503 0.000 1.032 712 H CA 0.747 56.958 56.048 0.271 0.000 1.477 712 H CB 0.098 29.945 29.762 0.141 0.000 1.520 712 H HN 0.737 nan 8.280 nan 0.000 0.521 713 T N 1.583 116.232 114.554 0.158 0.000 2.838 713 T HA 0.175 4.526 4.350 0.001 0.000 0.292 713 T C -0.780 174.065 174.700 0.242 0.000 1.113 713 T CA -1.024 61.002 62.100 -0.124 0.000 1.008 713 T CB 0.562 69.075 68.868 -0.591 0.000 1.259 713 T HN 0.460 nan 8.240 nan 0.000 0.520 714 Y N 1.817 122.105 120.300 -0.020 0.000 2.594 714 Y HA 0.499 5.050 4.550 0.001 0.000 0.344 714 Y C -0.486 175.548 175.900 0.223 0.000 1.185 714 Y CA -0.882 57.341 58.100 0.206 0.000 1.565 714 Y CB -0.494 37.960 38.460 -0.010 0.000 1.415 714 Y HN 0.505 nan 8.280 nan 0.000 0.488 715 V N 8.894 128.807 119.914 -0.002 0.000 2.408 715 V HA 0.218 4.338 4.120 0.001 0.000 0.267 715 V C -2.002 173.975 176.094 -0.196 0.000 1.047 715 V CA -2.015 60.239 62.300 -0.077 0.000 0.937 715 V CB 0.654 32.480 31.823 0.005 0.000 0.999 715 V HN 0.641 nan 8.190 nan 0.000 0.472 716 P HA 0.108 nan 4.420 nan 0.000 0.264 716 P C -0.080 177.212 177.300 -0.014 0.000 1.193 716 P CA 0.137 63.008 63.100 -0.381 0.000 0.763 716 P CB 0.466 31.731 31.700 -0.725 0.000 0.810 717 A N 5.198 128.055 122.820 0.062 0.000 2.548 717 A HA -0.015 4.305 4.320 0.001 0.000 0.247 717 A C 1.311 178.945 177.584 0.084 0.000 1.067 717 A CA -0.404 51.641 52.037 0.014 0.000 0.757 717 A CB -0.402 18.554 19.000 -0.075 0.000 0.996 717 A HN 0.848 nan 8.150 nan 0.000 0.504 718 W N 1.700 123.082 121.300 0.137 0.000 2.721 718 W HA 0.057 4.717 4.660 0.001 0.000 0.245 718 W C 0.133 176.694 176.519 0.070 0.000 1.276 718 W CA 0.683 58.083 57.345 0.091 0.000 1.342 718 W CB -0.171 29.244 29.460 -0.075 0.000 1.135 718 W HN 0.750 nan 8.180 nan 0.000 0.654 719 E N 2.186 122.381 120.200 -0.008 0.000 3.568 719 E HA 0.182 4.532 4.350 0.001 0.000 0.213 719 E C -0.638 175.939 176.600 -0.038 0.000 1.197 719 E CA -0.186 56.237 56.400 0.038 0.000 1.126 719 E CB 0.254 29.899 29.700 -0.091 0.000 1.285 719 E HN 0.062 nan 8.360 nan 0.000 0.418 720 S N 0.611 116.339 115.700 0.046 0.000 2.634 720 S HA 0.294 4.764 4.470 0.001 0.000 0.296 720 S C 0.889 175.508 174.600 0.031 0.000 1.104 720 S CA -0.791 57.423 58.200 0.023 0.000 0.920 720 S CB 1.665 64.912 63.200 0.078 0.000 1.111 720 S HN 0.325 nan 8.310 nan 0.000 0.493 721 Q N 0.736 120.528 119.800 -0.012 0.000 2.167 721 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 721 Q C 1.772 177.731 176.000 -0.069 0.000 0.970 721 Q CA 1.574 57.359 55.803 -0.029 0.000 0.855 721 Q CB -0.318 28.395 28.738 -0.043 0.000 0.911 721 Q HN 0.879 nan 8.270 nan 0.000 0.438 722 K N -1.090 119.218 120.400 -0.154 0.000 2.361 722 K HA 0.031 4.351 4.320 0.001 0.000 0.194 722 K C 0.970 177.352 176.600 -0.365 0.000 1.032 722 K CA 0.574 56.686 56.287 -0.292 0.000 1.048 722 K CB 0.409 32.655 32.500 -0.423 0.000 0.842 722 K HN 0.180 nan 8.250 nan 0.000 0.526 723 H N -0.103 119.006 119.070 0.065 0.000 2.827 723 H HA 0.173 4.729 4.556 0.001 0.000 0.269 723 H C -0.163 175.233 175.328 0.113 0.000 1.031 723 H CA -0.117 55.989 56.048 0.097 0.000 1.202 723 H CB 1.066 30.904 29.762 0.126 0.000 1.511 723 H HN 0.107 nan 8.280 nan 0.000 0.517 724 S N 1.909 117.719 115.700 0.185 0.000 2.480 724 S HA 0.211 4.682 4.470 0.001 0.000 0.286 724 S C -1.696 172.975 174.600 0.119 0.000 1.180 724 S CA -1.447 56.858 58.200 0.175 0.000 1.075 724 S CB 1.534 64.841 63.200 0.178 0.000 0.996 724 S HN -0.090 nan 8.310 nan 0.000 0.487 725 P HA -0.054 nan 4.420 nan 0.000 0.221 725 P C 1.163 178.499 177.300 0.060 0.000 1.145 725 P CA 0.380 63.525 63.100 0.075 0.000 0.795 725 P CB 0.163 31.907 31.700 0.074 0.000 0.775 726 L N -0.727 120.555 121.223 0.098 0.000 2.217 726 L HA 0.014 4.354 4.340 0.001 0.000 0.211 726 L C 2.221 179.137 176.870 0.077 0.000 1.107 726 L CA 1.198 56.111 54.840 0.121 0.000 0.783 726 L CB -1.820 40.370 42.059 0.218 0.000 0.919 726 L HN -0.090 nan 8.230 nan 0.000 0.442 727 A N -0.595 122.263 122.820 0.064 0.000 2.024 727 A HA -0.170 4.150 4.320 0.001 0.000 0.220 727 A C 2.268 179.839 177.584 -0.022 0.000 1.164 727 A CA 1.853 53.910 52.037 0.033 0.000 0.643 727 A CB -0.901 18.111 19.000 0.021 0.000 0.806 727 A HN 0.358 nan 8.150 nan 0.000 0.451 728 V N -2.380 117.507 119.914 -0.044 0.000 2.626 728 V HA -0.109 4.011 4.120 0.001 0.000 0.252 728 V C 2.026 178.043 176.094 -0.129 0.000 1.067 728 V CA 2.413 64.672 62.300 -0.067 0.000 1.081 728 V CB -0.622 31.170 31.823 -0.052 0.000 0.686 728 V HN 0.536 nan 8.190 nan 0.000 0.468 729 K N -0.906 119.347 120.400 -0.244 0.000 2.202 729 K HA 0.129 4.450 4.320 0.001 0.000 0.201 729 K C -0.127 176.116 176.600 -0.595 0.000 1.051 729 K CA 0.257 56.248 56.287 -0.492 0.000 0.977 729 K CB 0.304 32.338 32.500 -0.775 0.000 0.792 729 K HN 0.560 nan 8.250 nan 0.000 0.469 730 Y N 1.006 121.286 120.300 -0.033 0.000 2.805 730 Y HA 0.269 4.819 4.550 0.001 0.000 0.339 730 Y C -2.073 173.789 175.900 -0.063 0.000 1.012 730 Y CA -2.924 55.126 58.100 -0.084 0.000 1.262 730 Y CB 1.445 39.849 38.460 -0.093 0.000 1.100 730 Y HN 0.083 nan 8.280 nan 0.000 0.559 731 P HA -0.063 nan 4.420 nan 0.000 0.229 731 P C -0.016 177.286 177.300 0.004 0.000 1.160 731 P CA 0.877 63.981 63.100 0.008 0.000 0.777 731 P CB 0.927 32.621 31.700 -0.009 0.000 0.814 732 L N 0.276 121.500 121.223 0.003 0.000 2.292 732 L HA 0.483 4.823 4.340 0.001 0.000 0.284 732 L C 1.062 177.923 176.870 -0.016 0.000 1.065 732 L CA -0.806 54.027 54.840 -0.012 0.000 0.806 732 L CB 1.106 43.150 42.059 -0.025 0.000 1.175 732 L HN -0.119 nan 8.230 nan 0.000 0.431 733 G N 4.131 112.921 108.800 -0.017 0.000 2.320 733 G HA2 0.497 4.457 3.960 0.001 0.000 0.300 733 G HA3 0.497 4.457 3.960 0.001 0.000 0.300 733 G C -0.630 174.256 174.900 -0.024 0.000 1.126 733 G CA -0.457 44.630 45.100 -0.022 0.000 0.896 733 G HN 0.571 nan 8.290 nan 0.000 0.436 734 M N 3.889 123.466 119.600 -0.039 0.000 2.364 734 M HA 0.680 5.160 4.480 0.001 0.000 0.334 734 M C -0.866 175.401 176.300 -0.055 0.000 1.107 734 M CA -0.998 54.273 55.300 -0.048 0.000 0.988 734 M CB 1.654 34.214 32.600 -0.066 0.000 1.673 734 M HN 0.471 nan 8.290 nan 0.000 0.441 735 L N 2.789 123.973 121.223 -0.065 0.000 2.342 735 L HA 0.860 5.201 4.340 0.001 0.000 0.271 735 L C -0.775 175.983 176.870 -0.186 0.000 1.008 735 L CA -0.585 54.212 54.840 -0.071 0.000 0.818 735 L CB 2.098 44.156 42.059 -0.001 0.000 1.296 735 L HN 0.787 nan 8.230 nan 0.000 0.427 736 S N 0.589 116.211 115.700 -0.129 0.000 2.204 736 S HA 0.538 5.009 4.470 0.001 0.000 0.147 736 S C -2.651 171.965 174.600 0.027 0.000 1.711 736 S CA -1.036 57.085 58.200 -0.132 0.000 1.274 736 S CB 0.299 63.465 63.200 -0.056 0.000 1.257 736 S HN 0.542 nan 8.310 nan 0.000 0.404 737 P HA 0.169 nan 4.420 nan 0.000 0.282 737 P C -0.118 177.466 177.300 0.473 0.000 1.286 737 P CA -0.355 62.925 63.100 0.300 0.000 0.777 737 P CB 0.237 32.133 31.700 0.326 0.000 1.184 738 H N 0.408 119.541 119.070 0.105 0.000 2.764 738 H HA 0.095 4.651 4.556 0.001 0.000 0.341 738 H C -1.650 173.464 175.328 -0.356 0.000 1.072 738 H CA -1.679 54.314 56.048 -0.092 0.000 1.444 738 H CB -0.256 29.360 29.762 -0.244 0.000 1.458 738 H HN 0.338 nan 8.280 nan 0.000 0.572 739 P HA -0.072 nan 4.420 nan 0.000 0.263 739 P C 0.595 177.522 177.300 -0.620 0.000 1.195 739 P CA -0.039 62.750 63.100 -0.518 0.000 0.762 739 P CB 1.042 32.748 31.700 0.009 0.000 0.799 740 R N 4.172 124.097 120.500 -0.960 0.000 2.081 740 R HA -0.079 4.262 4.340 0.001 0.000 0.235 740 R C 1.020 176.902 176.300 -0.697 0.000 1.131 740 R CA 1.866 57.470 56.100 -0.827 0.000 0.960 740 R CB -1.068 28.606 30.300 -1.044 0.000 0.856 740 R HN 0.437 nan 8.270 nan 0.000 0.436 741 F N -0.266 119.643 119.950 -0.068 0.000 2.750 741 F HA 0.450 4.977 4.527 0.001 0.000 0.297 741 F C 0.068 175.878 175.800 0.017 0.000 1.138 741 F CA -0.240 57.744 58.000 -0.027 0.000 1.346 741 F CB 0.499 39.407 39.000 -0.153 0.000 0.965 741 F HN -0.064 nan 8.300 nan 0.000 0.514 742 S N 0.606 116.367 115.700 0.103 0.000 2.537 742 S HA 0.452 4.922 4.470 0.001 0.000 0.271 742 S C -1.082 173.164 174.600 -0.591 0.000 1.148 742 S CA -0.696 57.418 58.200 -0.143 0.000 0.868 742 S CB 1.220 64.405 63.200 -0.024 0.000 1.115 742 S HN 0.023 nan 8.310 nan 0.000 0.461 743 M N 5.524 124.510 119.600 -1.022 0.000 2.435 743 M HA 0.323 4.803 4.480 0.001 0.000 0.344 743 M C 0.373 176.429 176.300 -0.406 0.000 1.329 743 M CA 0.777 55.537 55.300 -0.900 0.000 1.320 743 M CB -1.738 30.330 32.600 -0.887 0.000 1.309 743 M HN 0.961 nan 8.290 nan 0.000 0.451 744 H N 0.375 119.264 119.070 -0.303 0.000 1.452 744 H HA -0.253 4.303 4.556 0.001 0.000 0.090 744 H C 1.144 176.381 175.328 -0.151 0.000 0.692 744 H CA 2.529 58.447 56.048 -0.217 0.000 1.901 744 H CB -1.398 28.245 29.762 -0.199 0.000 2.257 744 H HN 0.614 nan 8.280 nan 0.000 0.961 745 T N 0.333 114.903 114.554 0.026 0.000 3.113 745 T HA 0.196 4.546 4.350 0.001 0.000 0.256 745 T C 1.279 175.901 174.700 -0.129 0.000 1.131 745 T CA 0.833 62.896 62.100 -0.062 0.000 1.074 745 T CB -0.114 68.706 68.868 -0.080 0.000 0.944 745 T HN 0.254 nan 8.240 nan 0.000 0.516 746 M N 2.093 121.625 119.600 -0.113 0.000 2.725 746 M HA 0.491 4.971 4.480 0.001 0.000 0.322 746 M C 1.271 177.461 176.300 -0.183 0.000 1.393 746 M CA 0.128 55.331 55.300 -0.162 0.000 1.452 746 M CB 0.353 32.962 32.600 0.015 0.000 1.242 746 M HN 0.538 nan 8.290 nan 0.000 0.487 747 G N 1.168 109.821 108.800 -0.244 0.000 3.768 747 G HA2 -0.153 3.807 3.960 0.001 0.000 0.214 747 G HA3 -0.153 3.807 3.960 0.001 0.000 0.214 747 G C -0.314 174.483 174.900 -0.171 0.000 1.058 747 G CA -0.642 44.363 45.100 -0.158 0.000 0.890 747 G HN 0.540 nan 8.290 nan 0.000 0.393 748 D N 0.860 121.209 120.400 -0.086 0.000 2.339 748 D HA 0.512 5.152 4.640 0.001 0.000 0.245 748 D C 1.344 177.599 176.300 -0.075 0.000 1.115 748 D CA 1.951 55.996 54.000 0.076 0.000 0.917 748 D CB 0.716 41.694 40.800 0.296 0.000 1.192 748 D HN 1.339 nan 8.370 nan 0.000 0.428 749 G N 2.454 111.240 108.800 -0.024 0.000 2.566 749 G HA2 -0.370 3.590 3.960 0.001 0.000 0.280 749 G HA3 -0.370 3.590 3.960 0.001 0.000 0.280 749 G C 0.181 174.965 174.900 -0.193 0.000 1.225 749 G CA 0.467 45.499 45.100 -0.114 0.000 0.966 749 G HN 0.887 nan 8.290 nan 0.000 0.560 750 K N -0.891 119.393 120.400 -0.192 0.000 3.185 750 K HA -0.346 3.974 4.320 0.001 0.000 0.298 750 K C 0.779 177.301 176.600 -0.129 0.000 1.178 750 K CA 1.339 57.502 56.287 -0.206 0.000 0.882 750 K CB -1.455 30.728 32.500 -0.530 0.000 1.218 750 K HN 1.821 nan 8.250 nan 0.000 0.454 751 N N -0.255 118.381 118.700 -0.108 0.000 2.741 751 N HA -0.194 4.547 4.740 0.001 0.000 0.250 751 N C -0.107 175.360 175.510 -0.073 0.000 1.115 751 N CA 1.105 54.113 53.050 -0.070 0.000 0.724 751 N CB -0.762 37.724 38.487 -0.002 0.000 1.090 751 N HN 0.643 nan 8.380 nan 0.000 0.558 752 S N -1.374 114.234 115.700 -0.153 0.000 2.608 752 S HA 0.170 4.641 4.470 0.001 0.000 0.261 752 S C 1.295 175.905 174.600 0.016 0.000 1.314 752 S CA -0.242 57.843 58.200 -0.191 0.000 0.992 752 S CB 0.398 63.446 63.200 -0.252 0.000 0.935 752 S HN 0.180 nan 8.310 nan 0.000 0.564 753 Y N 0.250 120.581 120.300 0.052 0.000 2.352 753 Y HA 0.029 4.579 4.550 0.001 0.000 0.292 753 Y C 2.274 178.231 175.900 0.094 0.000 1.136 753 Y CA 0.414 58.626 58.100 0.187 0.000 1.227 753 Y CB -1.212 37.303 38.460 0.091 0.000 0.991 753 Y HN 0.494 nan 8.280 nan 0.000 0.545 754 M N 0.015 119.662 119.600 0.077 0.000 2.358 754 M HA -0.172 4.308 4.480 0.001 0.000 0.264 754 M C 1.488 177.678 176.300 -0.182 0.000 1.064 754 M CA 1.102 56.335 55.300 -0.111 0.000 1.093 754 M CB -0.632 31.835 32.600 -0.223 0.000 1.401 754 M HN 0.150 nan 8.290 nan 0.000 0.440 755 N N -0.896 117.709 118.700 -0.158 0.000 2.520 755 N HA -0.112 4.628 4.740 0.001 0.000 0.185 755 N C 0.833 176.145 175.510 -0.330 0.000 1.068 755 N CA 1.077 54.019 53.050 -0.181 0.000 0.911 755 N CB -0.121 38.159 38.487 -0.346 0.000 0.961 755 N HN 0.512 nan 8.380 nan 0.000 0.446 756 Y N 0.594 120.882 120.300 -0.020 0.000 2.466 756 Y HA 0.295 4.845 4.550 0.001 0.000 0.272 756 Y C 0.934 176.771 175.900 -0.105 0.000 1.169 756 Y CA -0.361 57.709 58.100 -0.049 0.000 1.285 756 Y CB 0.238 38.669 38.460 -0.048 0.000 1.078 756 Y HN -0.110 nan 8.280 nan 0.000 0.523 757 I N 1.421 121.941 120.570 -0.083 0.000 2.533 757 I HA -0.071 4.100 4.170 0.001 0.000 0.284 757 I C 1.170 177.162 176.117 -0.208 0.000 1.109 757 I CA 0.195 61.339 61.300 -0.260 0.000 1.412 757 I CB 1.179 38.785 38.000 -0.657 0.000 1.396 757 I HN 0.229 nan 8.210 nan 0.000 0.543 758 K N 3.273 123.578 120.400 -0.159 0.000 2.089 758 K HA -0.233 4.087 4.320 0.001 0.000 0.210 758 K C 0.933 177.487 176.600 -0.077 0.000 1.048 758 K CA 1.700 57.934 56.287 -0.088 0.000 0.926 758 K CB -0.089 32.377 32.500 -0.057 0.000 0.714 758 K HN 0.569 nan 8.250 nan 0.000 0.448 759 D N -0.804 119.540 120.400 -0.094 0.000 2.336 759 D HA -0.021 4.619 4.640 0.001 0.000 0.228 759 D C 0.992 177.378 176.300 0.143 0.000 1.120 759 D CA 0.235 54.276 54.000 0.070 0.000 0.839 759 D CB 0.260 41.221 40.800 0.269 0.000 0.932 759 D HN 0.235 nan 8.370 nan 0.000 0.509 760 H N -0.663 118.308 119.070 -0.166 0.000 2.367 760 H HA 0.437 4.994 4.556 0.001 0.000 0.304 760 H C 0.043 175.231 175.328 -0.234 0.000 1.023 760 H CA 0.641 56.604 56.048 -0.141 0.000 1.342 760 H CB 0.589 30.224 29.762 -0.211 0.000 1.486 760 H HN -0.186 nan 8.280 nan 0.000 0.596 761 R N -0.037 120.337 120.500 -0.210 0.000 2.771 761 R HA 0.541 4.882 4.340 0.001 0.000 0.274 761 R C -1.642 174.620 176.300 -0.064 0.000 0.987 761 R CA -1.045 54.949 56.100 -0.177 0.000 0.908 761 R CB 3.155 33.384 30.300 -0.119 0.000 1.213 761 R HN -0.004 nan 8.270 nan 0.000 0.468 762 V N 1.504 121.422 119.914 0.007 0.000 2.448 762 V HA 0.221 4.342 4.120 0.001 0.000 0.295 762 V C -0.204 175.962 176.094 0.120 0.000 1.025 762 V CA -0.740 61.589 62.300 0.048 0.000 0.859 762 V CB 1.550 33.403 31.823 0.049 0.000 0.988 762 V HN 0.716 nan 8.190 nan 0.000 0.431 763 E N 3.875 124.130 120.200 0.092 0.000 2.217 763 E HA 0.442 4.793 4.350 0.001 0.000 0.279 763 E C -1.297 175.410 176.600 0.178 0.000 1.068 763 E CA -0.176 56.302 56.400 0.130 0.000 0.882 763 E CB 1.042 30.794 29.700 0.087 0.000 1.039 763 E HN 0.514 nan 8.360 nan 0.000 0.418 764 V N 5.254 125.349 119.914 0.302 0.000 2.525 764 V HA 0.124 4.245 4.120 0.001 0.000 0.299 764 V C -0.638 175.645 176.094 0.316 0.000 1.034 764 V CA -0.902 61.546 62.300 0.247 0.000 0.863 764 V CB 1.766 33.671 31.823 0.137 0.000 0.999 764 V HN 0.871 nan 8.190 nan 0.000 0.423 765 D N 4.198 124.720 120.400 0.203 0.000 2.697 765 D HA -0.190 4.450 4.640 0.001 0.000 0.235 765 D C 1.334 177.767 176.300 0.222 0.000 1.167 765 D CA 1.727 55.843 54.000 0.193 0.000 0.656 765 D CB -1.013 39.904 40.800 0.196 0.000 1.025 765 D HN 1.499 nan 8.370 nan 0.000 0.419 766 G N -0.712 108.203 108.800 0.191 0.000 2.184 766 G HA2 -0.362 3.599 3.960 0.001 0.000 0.264 766 G HA3 -0.362 3.599 3.960 0.001 0.000 0.264 766 G C -0.044 174.981 174.900 0.208 0.000 0.975 766 G CA 0.668 45.870 45.100 0.171 0.000 0.642 766 G HN 0.605 nan 8.290 nan 0.000 0.536 767 Y N 0.573 120.929 120.300 0.094 0.000 2.462 767 Y HA 0.605 5.155 4.550 0.001 0.000 0.346 767 Y C -0.116 175.753 175.900 -0.051 0.000 0.976 767 Y CA -1.275 56.790 58.100 -0.058 0.000 1.044 767 Y CB 1.350 39.667 38.460 -0.238 0.000 1.230 767 Y HN 0.019 nan 8.280 nan 0.000 0.455 768 K N 6.076 126.144 120.400 -0.553 0.000 2.263 768 K HA 0.224 4.545 4.320 0.001 0.000 0.282 768 K C -1.600 174.822 176.600 -0.296 0.000 1.089 768 K CA -0.308 55.802 56.287 -0.296 0.000 0.907 768 K CB 0.485 32.791 32.500 -0.323 0.000 1.148 768 K HN 0.497 nan 8.250 nan 0.000 0.470 769 Y N 1.248 121.583 120.300 0.058 0.000 2.320 769 Y HA 0.110 4.660 4.550 0.001 0.000 0.324 769 Y C 0.580 176.556 175.900 0.126 0.000 1.190 769 Y CA -0.707 57.494 58.100 0.169 0.000 1.215 769 Y CB 0.681 39.251 38.460 0.183 0.000 1.221 769 Y HN 0.538 nan 8.280 nan 0.000 0.486 770 W N 4.453 125.819 121.300 0.110 0.000 2.158 770 W HA 0.303 4.964 4.660 0.001 0.000 0.339 770 W C -0.963 175.574 176.519 0.030 0.000 1.294 770 W CA -0.485 56.859 57.345 -0.001 0.000 1.231 770 W CB 0.509 29.962 29.460 -0.011 0.000 1.143 770 W HN 0.417 nan 8.180 nan 0.000 0.571 771 I N 6.301 126.644 120.570 -0.378 0.000 2.385 771 I HA 0.250 4.421 4.170 0.001 0.000 0.294 771 I C 0.283 176.309 176.117 -0.153 0.000 0.988 771 I CA -0.560 60.603 61.300 -0.227 0.000 1.265 771 I CB 1.556 39.395 38.000 -0.268 0.000 1.388 771 I HN 0.255 nan 8.210 nan 0.000 0.480 772 M N 6.307 125.876 119.600 -0.051 0.000 2.197 772 M HA 0.469 4.950 4.480 0.001 0.000 0.301 772 M C -1.165 175.106 176.300 -0.048 0.000 0.987 772 M CA -0.501 54.782 55.300 -0.028 0.000 0.921 772 M CB 1.351 33.959 32.600 0.013 0.000 1.569 772 M HN 0.489 nan 8.290 nan 0.000 0.431 773 R N 3.154 123.613 120.500 -0.069 0.000 2.308 773 R HA 0.678 5.018 4.340 0.001 0.000 0.305 773 R C -1.235 175.038 176.300 -0.046 0.000 1.053 773 R CA -0.547 55.500 56.100 -0.087 0.000 0.957 773 R CB 1.395 31.572 30.300 -0.204 0.000 1.022 773 R HN 0.515 nan 8.270 nan 0.000 0.461 774 V N 2.684 122.582 119.914 -0.027 0.000 2.709 774 V HA 0.198 4.318 4.120 0.001 0.000 0.308 774 V C -0.176 175.921 176.094 0.005 0.000 1.062 774 V CA -1.180 61.116 62.300 -0.006 0.000 0.901 774 V CB 1.974 33.796 31.823 -0.001 0.000 1.003 774 V HN 0.751 nan 8.190 nan 0.000 0.425 775 N N 2.007 120.718 118.700 0.018 0.000 2.518 775 N HA 0.002 4.742 4.740 0.001 0.000 0.266 775 N C 1.509 177.031 175.510 0.019 0.000 1.196 775 N CA 0.705 53.772 53.050 0.029 0.000 0.947 775 N CB 1.726 40.236 38.487 0.038 0.000 1.098 775 N HN 0.874 nan 8.380 nan 0.000 0.450 776 S N 4.242 119.954 115.700 0.020 0.000 2.392 776 S HA -0.201 4.270 4.470 0.001 0.000 0.232 776 S C 2.030 176.638 174.600 0.013 0.000 1.041 776 S CA 0.981 59.190 58.200 0.015 0.000 1.026 776 S CB -0.438 62.771 63.200 0.015 0.000 0.845 776 S HN 0.675 nan 8.310 nan 0.000 0.465 777 I N 2.483 123.061 120.570 0.013 0.000 2.179 777 I HA -0.176 3.995 4.170 0.001 0.000 0.242 777 I C 2.238 178.361 176.117 0.009 0.000 1.088 777 I CA 1.721 63.027 61.300 0.009 0.000 1.357 777 I CB -0.496 37.508 38.000 0.006 0.000 1.051 777 I HN 0.286 nan 8.210 nan 0.000 0.409 778 D N 1.091 121.497 120.400 0.010 0.000 2.144 778 D HA -0.106 4.534 4.640 0.001 0.000 0.200 778 D C 2.243 178.551 176.300 0.014 0.000 0.978 778 D CA 1.432 55.438 54.000 0.010 0.000 0.833 778 D CB -0.077 40.728 40.800 0.008 0.000 0.961 778 D HN 0.352 nan 8.370 nan 0.000 0.470 779 A N 1.473 124.301 122.820 0.014 0.000 1.877 779 A HA -0.193 4.127 4.320 0.001 0.000 0.216 779 A C 2.166 179.760 177.584 0.017 0.000 1.186 779 A CA 1.357 53.404 52.037 0.016 0.000 0.620 779 A CB -0.416 18.591 19.000 0.013 0.000 0.822 779 A HN 0.022 nan 8.150 nan 0.000 0.443 780 E N 0.512 120.721 120.200 0.014 0.000 2.085 780 E HA -0.168 4.182 4.350 0.001 0.000 0.194 780 E C 2.141 178.750 176.600 0.015 0.000 0.994 780 E CA 1.410 57.819 56.400 0.013 0.000 0.801 780 E CB -0.460 29.246 29.700 0.011 0.000 0.743 780 E HN 0.458 nan 8.360 nan 0.000 0.453 781 A N 0.742 123.571 122.820 0.015 0.000 2.125 781 A HA -0.129 4.191 4.320 0.001 0.000 0.219 781 A C 1.974 179.572 177.584 0.023 0.000 1.156 781 A CA 1.252 53.298 52.037 0.016 0.000 0.671 781 A CB -0.285 18.722 19.000 0.013 0.000 0.794 781 A HN 0.170 nan 8.150 nan 0.000 0.459 782 R N -1.841 118.675 120.500 0.027 0.000 2.472 782 R HA 0.286 4.627 4.340 0.001 0.000 0.279 782 R C 1.006 177.328 176.300 0.036 0.000 0.953 782 R CA 0.406 56.528 56.100 0.037 0.000 1.088 782 R CB 0.247 30.574 30.300 0.045 0.000 1.197 782 R HN 0.558 nan 8.270 nan 0.000 0.536 783 G N 1.938 110.755 108.800 0.027 0.000 2.198 783 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 783 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 783 G C 0.098 175.013 174.900 0.026 0.000 1.025 783 G CA 0.088 45.203 45.100 0.025 0.000 0.769 783 G HN 0.268 nan 8.290 nan 0.000 0.507 784 I N 0.004 120.590 120.570 0.027 0.000 2.353 784 I HA 0.433 4.604 4.170 0.001 0.000 0.293 784 I C 0.594 176.722 176.117 0.018 0.000 0.992 784 I CA -0.364 60.952 61.300 0.026 0.000 1.268 784 I CB 1.333 39.351 38.000 0.030 0.000 1.387 784 I HN 0.007 nan 8.210 nan 0.000 0.478 785 K N 4.080 124.489 120.400 0.016 0.000 2.350 785 K HA 0.341 4.661 4.320 0.001 0.000 0.241 785 K C -0.492 176.113 176.600 0.008 0.000 0.994 785 K CA -1.001 55.292 56.287 0.011 0.000 0.839 785 K CB 1.490 33.996 32.500 0.010 0.000 1.244 785 K HN 0.481 nan 8.250 nan 0.000 0.443 786 N N 0.382 119.085 118.700 0.005 0.000 2.359 786 N HA -0.083 4.657 4.740 0.001 0.000 0.261 786 N C 0.619 176.131 175.510 0.003 0.000 1.267 786 N CA 1.245 54.295 53.050 0.002 0.000 0.864 786 N CB 0.198 38.685 38.487 0.001 0.000 1.063 786 N HN 0.834 nan 8.380 nan 0.000 0.474 787 G N 2.364 111.164 108.800 -0.000 0.000 2.195 787 G HA2 -0.231 3.730 3.960 0.001 0.000 0.246 787 G HA3 -0.231 3.730 3.960 0.001 0.000 0.246 787 G C -0.217 174.678 174.900 -0.008 0.000 0.984 787 G CA -0.185 44.916 45.100 0.001 0.000 0.633 787 G HN 0.608 nan 8.290 nan 0.000 0.525 788 D N 0.518 120.917 120.400 -0.003 0.000 2.399 788 D HA 0.412 5.052 4.640 0.001 0.000 0.241 788 D C 1.075 177.364 176.300 -0.018 0.000 1.133 788 D CA 0.022 54.022 54.000 0.001 0.000 0.890 788 D CB 0.741 41.552 40.800 0.019 0.000 1.201 788 D HN 0.279 nan 8.370 nan 0.000 0.432 789 L N 2.844 124.058 121.223 -0.016 0.000 2.290 789 L HA 0.373 4.713 4.340 0.001 0.000 0.284 789 L C 0.489 177.405 176.870 0.076 0.000 1.078 789 L CA -0.459 54.353 54.840 -0.047 0.000 0.815 789 L CB 0.228 42.267 42.059 -0.033 0.000 1.162 789 L HN 0.256 nan 8.230 nan 0.000 0.435 790 I N 0.901 121.492 120.570 0.036 0.000 2.957 790 I HA 0.620 4.790 4.170 0.001 0.000 0.310 790 I C -0.575 175.569 176.117 0.047 0.000 1.063 790 I CA -1.061 60.291 61.300 0.087 0.000 1.033 790 I CB 2.209 40.245 38.000 0.059 0.000 1.230 790 I HN 0.571 nan 8.210 nan 0.000 0.447 791 R N 3.104 123.663 120.500 0.098 0.000 2.360 791 R HA 0.748 5.088 4.340 0.001 0.000 0.318 791 R C -1.185 175.194 176.300 0.132 0.000 0.950 791 R CA -0.478 55.647 56.100 0.042 0.000 0.837 791 R CB 1.603 31.933 30.300 0.050 0.000 1.165 791 R HN 0.956 nan 8.270 nan 0.000 0.458 792 A N 4.646 127.502 122.820 0.060 0.000 2.290 792 A HA 0.564 4.884 4.320 0.001 0.000 0.310 792 A C -1.349 176.271 177.584 0.060 0.000 1.202 792 A CA -0.497 51.556 52.037 0.026 0.000 0.837 792 A CB 0.417 19.400 19.000 -0.028 0.000 1.139 792 A HN 0.814 nan 8.150 nan 0.000 0.509 793 Y N 0.650 120.872 120.300 -0.130 0.000 2.713 793 Y HA 0.727 5.277 4.550 0.001 0.000 0.335 793 Y C -0.696 175.007 175.900 -0.328 0.000 1.222 793 Y CA -0.999 56.991 58.100 -0.184 0.000 1.061 793 Y CB 1.028 39.412 38.460 -0.126 0.000 1.314 793 Y HN 0.831 nan 8.280 nan 0.000 0.453 794 N N -1.590 116.913 118.700 -0.329 0.000 3.517 794 N HA 0.212 4.952 4.740 0.001 0.000 0.329 794 N C -0.644 174.729 175.510 -0.228 0.000 1.569 794 N CA -0.254 52.209 53.050 -0.978 0.000 0.852 794 N CB 0.042 37.872 38.487 -1.094 0.000 1.955 794 N HN 0.530 nan 8.380 nan 0.000 0.555 795 D N -0.370 119.952 120.400 -0.130 0.000 2.218 795 D HA -0.032 4.609 4.640 0.001 0.000 0.204 795 D C 1.248 177.639 176.300 0.151 0.000 0.976 795 D CA 1.033 55.134 54.000 0.167 0.000 0.853 795 D CB -0.042 40.869 40.800 0.185 0.000 0.939 795 D HN 0.433 nan 8.370 nan 0.000 0.481 796 R N -0.079 120.412 120.500 -0.014 0.000 2.193 796 R HA 0.269 4.609 4.340 0.001 0.000 0.213 796 R C 1.300 177.413 176.300 -0.310 0.000 1.055 796 R CA 0.729 56.781 56.100 -0.079 0.000 0.995 796 R CB 0.387 30.626 30.300 -0.102 0.000 0.893 796 R HN 0.121 nan 8.270 nan 0.000 0.459 797 G N -1.461 107.020 108.800 -0.531 0.000 2.323 797 G HA2 0.230 4.190 3.960 0.001 0.000 0.291 797 G HA3 0.230 4.190 3.960 0.001 0.000 0.291 797 G C -1.438 173.083 174.900 -0.631 0.000 1.278 797 G CA -0.751 43.619 45.100 -1.217 0.000 0.860 797 G HN -0.021 nan 8.290 nan 0.000 0.504 798 S N -1.441 113.974 115.700 -0.474 0.000 2.541 798 S HA 0.772 5.242 4.470 0.001 0.000 0.280 798 S C -0.869 173.652 174.600 -0.131 0.000 1.112 798 S CA -0.517 57.594 58.200 -0.149 0.000 0.925 798 S CB 1.996 65.162 63.200 -0.057 0.000 1.067 798 S HN 1.103 nan 8.310 nan 0.000 0.479 799 V N 3.757 123.607 119.914 -0.107 0.000 2.638 799 V HA 0.508 4.628 4.120 0.001 0.000 0.306 799 V C -0.962 175.057 176.094 -0.124 0.000 1.052 799 V CA -0.802 61.437 62.300 -0.101 0.000 0.885 799 V CB 1.814 33.593 31.823 -0.073 0.000 0.999 799 V HN 0.737 nan 8.190 nan 0.000 0.424 800 I N 5.806 126.269 120.570 -0.179 0.000 2.342 800 I HA 0.559 4.729 4.170 0.001 0.000 0.291 800 I C -0.167 175.945 176.117 -0.009 0.000 1.010 800 I CA -0.048 61.097 61.300 -0.257 0.000 1.308 800 I CB 0.899 38.557 38.000 -0.570 0.000 1.400 800 I HN 0.451 nan 8.210 nan 0.000 0.488 801 L N 4.431 125.650 121.223 -0.006 0.000 2.341 801 L HA 0.807 5.148 4.340 0.001 0.000 0.254 801 L C -0.056 176.815 176.870 0.001 0.000 1.040 801 L CA -0.997 53.905 54.840 0.104 0.000 0.837 801 L CB 1.881 44.011 42.059 0.118 0.000 1.425 801 L HN 0.590 nan 8.230 nan 0.000 0.414 802 A N 0.794 123.642 122.820 0.048 0.000 2.274 802 A HA 0.813 5.133 4.320 0.001 0.000 0.309 802 A C -0.093 177.489 177.584 -0.004 0.000 1.226 802 A CA -0.357 51.672 52.037 -0.014 0.000 0.853 802 A CB 0.891 19.912 19.000 0.036 0.000 1.146 802 A HN 0.730 nan 8.150 nan 0.000 0.518 803 A N 2.189 125.002 122.820 -0.011 0.000 2.363 803 A HA 0.553 4.874 4.320 0.001 0.000 0.270 803 A C 0.127 177.702 177.584 -0.014 0.000 1.121 803 A CA -0.269 51.763 52.037 -0.008 0.000 0.800 803 A CB 0.290 19.291 19.000 0.001 0.000 1.052 803 A HN 0.863 nan 8.150 nan 0.000 0.493 804 Q N 2.778 122.564 119.800 -0.024 0.000 2.401 804 Q HA 0.484 4.824 4.340 0.001 0.000 0.260 804 Q C -1.514 174.471 176.000 -0.024 0.000 1.034 804 Q CA -0.488 55.299 55.803 -0.027 0.000 0.737 804 Q CB 1.229 29.941 28.738 -0.043 0.000 1.227 804 Q HN 0.554 nan 8.270 nan 0.000 0.488 805 V N 3.561 123.467 119.914 -0.012 0.000 2.508 805 V HA 0.316 4.436 4.120 0.001 0.000 0.281 805 V C 0.403 176.492 176.094 -0.009 0.000 1.041 805 V CA 0.315 62.611 62.300 -0.007 0.000 1.016 805 V CB 1.100 32.924 31.823 0.000 0.000 0.984 805 V HN 0.831 nan 8.190 nan 0.000 0.478 806 T N 2.743 117.294 114.554 -0.005 0.000 2.787 806 T HA 0.406 4.757 4.350 0.001 0.000 0.297 806 T C 0.098 174.809 174.700 0.019 0.000 1.221 806 T CA -0.497 61.601 62.100 -0.004 0.000 1.006 806 T CB 2.115 70.970 68.868 -0.022 0.000 1.328 806 T HN 0.629 nan 8.240 nan 0.000 0.509 807 E N 0.457 120.671 120.200 0.024 0.000 2.526 807 E HA 0.192 4.542 4.350 0.001 0.000 0.208 807 E C 1.146 177.824 176.600 0.129 0.000 0.997 807 E CA 0.147 56.589 56.400 0.070 0.000 0.961 807 E CB -0.023 29.713 29.700 0.060 0.000 1.030 807 E HN 0.593 nan 8.360 nan 0.000 0.483 808 C N 1.463 120.786 119.300 0.038 0.000 2.477 808 C HA 0.245 4.705 4.460 0.001 0.000 0.321 808 C C 0.737 175.878 174.990 0.252 0.000 1.369 808 C CA 0.068 59.052 59.018 -0.057 0.000 1.607 808 C CB -1.849 25.760 27.740 -0.218 0.000 1.632 808 C HN 0.129 nan 8.230 nan 0.000 0.597 809 L N -0.095 121.346 121.223 0.362 0.000 2.513 809 L HA 0.324 4.664 4.340 0.001 0.000 0.261 809 L C -0.286 176.713 176.870 0.215 0.000 0.945 809 L CA -0.380 54.657 54.840 0.328 0.000 0.848 809 L CB 1.415 43.572 42.059 0.164 0.000 1.334 809 L HN 0.074 nan 8.230 nan 0.000 0.407 810 Q N 3.237 123.112 119.800 0.125 0.000 2.337 810 Q HA 0.231 4.571 4.340 0.001 0.000 0.270 810 Q C -2.281 173.732 176.000 0.022 0.000 1.002 810 Q CA -1.341 54.470 55.803 0.014 0.000 0.888 810 Q CB 1.067 29.769 28.738 -0.059 0.000 1.222 810 Q HN 0.228 nan 8.270 nan 0.000 0.400 811 P HA -0.051 nan 4.420 nan 0.000 0.261 811 P C 0.075 177.372 177.300 -0.006 0.000 1.173 811 P CA 1.536 64.639 63.100 0.004 0.000 0.760 811 P CB 0.422 32.119 31.700 -0.006 0.000 0.783 812 G N 1.370 110.169 108.800 -0.001 0.000 2.195 812 G HA2 -0.169 3.791 3.960 0.001 0.000 0.224 812 G HA3 -0.169 3.791 3.960 0.001 0.000 0.224 812 G C 0.135 175.032 174.900 -0.004 0.000 0.990 812 G CA -0.087 45.008 45.100 -0.009 0.000 0.639 812 G HN 0.608 nan 8.290 nan 0.000 0.514 813 T N 0.947 115.507 114.554 0.010 0.000 2.807 813 T HA 0.671 5.022 4.350 0.001 0.000 0.279 813 T C 0.126 174.842 174.700 0.026 0.000 0.993 813 T CA 0.144 62.257 62.100 0.021 0.000 0.970 813 T CB 2.435 71.331 68.868 0.047 0.000 0.950 813 T HN 1.359 nan 8.240 nan 0.000 0.441 814 V N 0.674 120.596 119.914 0.013 0.000 2.919 814 V HA 0.746 4.866 4.120 0.001 0.000 0.316 814 V C -0.876 175.230 176.094 0.019 0.000 1.077 814 V CA -0.851 61.453 62.300 0.007 0.000 0.977 814 V CB 2.127 33.942 31.823 -0.014 0.000 1.039 814 V HN 0.956 nan 8.190 nan 0.000 0.441 815 H N 1.715 120.693 119.070 -0.153 0.000 2.771 815 H HA 0.738 5.294 4.556 0.001 0.000 0.361 815 H C -1.605 173.562 175.328 -0.269 0.000 1.108 815 H CA 0.032 55.933 56.048 -0.245 0.000 1.201 815 H CB 2.158 31.659 29.762 -0.435 0.000 1.681 815 H HN 0.978 nan 8.280 nan 0.000 0.534 816 S N 5.026 120.442 115.700 -0.473 0.000 2.626 816 S HA 0.309 4.780 4.470 0.001 0.000 0.275 816 S C -1.355 173.126 174.600 -0.199 0.000 1.175 816 S CA -0.527 57.540 58.200 -0.223 0.000 0.982 816 S CB 0.362 63.587 63.200 0.042 0.000 1.093 816 S HN 0.524 nan 8.310 nan 0.000 0.472 817 Y N 2.759 123.092 120.300 0.054 0.000 2.550 817 Y HA 0.162 4.712 4.550 0.001 0.000 0.343 817 Y C 1.358 177.489 175.900 0.384 0.000 1.245 817 Y CA 0.122 58.335 58.100 0.188 0.000 1.462 817 Y CB 0.568 39.178 38.460 0.249 0.000 1.340 817 Y HN 0.779 nan 8.280 nan 0.000 0.604 818 E N -0.963 119.465 120.200 0.379 0.000 3.099 818 E HA 0.438 4.788 4.350 0.001 0.000 0.259 818 E C -0.035 176.633 176.600 0.114 0.000 1.274 818 E CA -0.233 56.255 56.400 0.146 0.000 1.111 818 E CB 0.616 30.345 29.700 0.047 0.000 1.327 818 E HN 0.518 nan 8.360 nan 0.000 0.652 819 S N -2.363 113.305 115.700 -0.054 0.000 3.361 819 S HA -0.242 4.229 4.470 0.001 0.000 0.288 819 S C 0.258 174.741 174.600 -0.196 0.000 1.269 819 S CA 0.534 58.693 58.200 -0.068 0.000 0.976 819 S CB -2.641 60.609 63.200 0.083 0.000 1.162 819 S HN 0.788 nan 8.310 nan 0.000 0.643 820 C N 2.222 121.215 119.300 -0.512 0.000 2.538 820 C HA 0.456 4.916 4.460 0.001 0.000 0.408 820 C C 1.889 176.660 174.990 -0.366 0.000 1.421 820 C CA 0.421 58.966 59.018 -0.788 0.000 1.642 820 C CB -0.347 26.695 27.740 -1.163 0.000 2.553 820 C HN 0.785 nan 8.230 nan 0.000 0.604 821 A N 4.835 127.510 122.820 -0.242 0.000 2.178 821 A HA 0.287 4.607 4.320 0.001 0.000 0.211 821 A C 0.671 178.171 177.584 -0.140 0.000 1.157 821 A CA 0.505 52.442 52.037 -0.166 0.000 0.780 821 A CB -0.075 18.834 19.000 -0.151 0.000 0.828 821 A HN 0.827 nan 8.150 nan 0.000 0.476 822 V N 0.491 120.317 119.914 -0.145 0.000 2.370 822 V HA 0.270 4.390 4.120 0.001 0.000 0.279 822 V C -0.766 175.314 176.094 -0.023 0.000 1.029 822 V CA -0.524 61.725 62.300 -0.086 0.000 0.870 822 V CB 0.691 32.467 31.823 -0.079 0.000 0.984 822 V HN 0.379 nan 8.190 nan 0.000 0.451 823 Y N 4.289 124.514 120.300 -0.126 0.000 2.356 823 Y HA 0.617 5.167 4.550 0.001 0.000 0.334 823 Y C -0.427 175.431 175.900 -0.069 0.000 0.958 823 Y CA -1.443 56.601 58.100 -0.093 0.000 1.196 823 Y CB 1.364 39.791 38.460 -0.055 0.000 1.137 823 Y HN 0.692 nan 8.280 nan 0.000 0.485 824 D N 9.033 129.151 120.400 -0.470 0.000 2.400 824 D HA 0.347 4.988 4.640 0.001 0.000 0.272 824 D C -3.100 172.919 176.300 -0.469 0.000 1.220 824 D CA -2.261 51.490 54.000 -0.415 0.000 0.897 824 D CB 1.305 42.010 40.800 -0.160 0.000 1.134 824 D HN 0.227 nan 8.370 nan 0.000 0.507 825 P HA 0.125 nan 4.420 nan 0.000 0.268 825 P C 1.081 178.276 177.300 -0.175 0.000 1.205 825 P CA -0.260 62.623 63.100 -0.362 0.000 0.771 825 P CB 1.072 32.589 31.700 -0.305 0.000 0.858 826 L N 0.821 122.000 121.223 -0.074 0.000 2.341 826 L HA 0.138 4.478 4.340 0.001 0.000 0.214 826 L C 1.503 178.388 176.870 0.024 0.000 1.115 826 L CA 1.052 55.887 54.840 -0.009 0.000 0.820 826 L CB -0.488 41.614 42.059 0.071 0.000 0.944 826 L HN 0.550 nan 8.230 nan 0.000 0.452 827 G N -1.235 107.586 108.800 0.035 0.000 3.259 827 G HA2 0.237 4.197 3.960 0.001 0.000 0.178 827 G HA3 0.237 4.197 3.960 0.001 0.000 0.178 827 G C -0.693 174.236 174.900 0.048 0.000 1.129 827 G CA -0.212 44.917 45.100 0.049 0.000 0.816 827 G HN -0.141 nan 8.290 nan 0.000 0.634 828 T N 1.673 116.273 114.554 0.077 0.000 2.902 828 T HA 0.448 4.799 4.350 0.001 0.000 0.301 828 T C 0.764 175.554 174.700 0.150 0.000 1.012 828 T CA 0.460 62.617 62.100 0.096 0.000 1.151 828 T CB 0.794 69.724 68.868 0.103 0.000 0.946 828 T HN 0.853 nan 8.240 nan 0.000 0.542 829 A N 2.703 125.631 122.820 0.181 0.000 2.546 829 A HA 0.483 4.804 4.320 0.001 0.000 0.243 829 A C 1.693 179.499 177.584 0.370 0.000 1.063 829 A CA 0.188 52.435 52.037 0.350 0.000 0.757 829 A CB -0.823 18.452 19.000 0.458 0.000 0.991 829 A HN 1.623 nan 8.150 nan 0.000 0.503 830 G N 1.783 110.831 108.800 0.413 0.000 2.212 830 G HA2 -0.295 3.665 3.960 0.001 0.000 0.266 830 G HA3 -0.295 3.665 3.960 0.001 0.000 0.266 830 G C 0.656 175.692 174.900 0.227 0.000 0.978 830 G CA 1.023 46.274 45.100 0.251 0.000 0.632 830 G HN 0.841 nan 8.290 nan 0.000 0.537 831 K N -0.103 120.449 120.400 0.253 0.000 2.483 831 K HA 0.367 4.687 4.320 0.001 0.000 0.206 831 K C 0.588 177.392 176.600 0.340 0.000 1.086 831 K CA 0.650 57.099 56.287 0.269 0.000 1.052 831 K CB 1.030 33.639 32.500 0.181 0.000 0.904 831 K HN 0.568 nan 8.250 nan 0.000 0.557 832 S N -0.624 115.277 115.700 0.335 0.000 2.720 832 S HA 0.709 5.180 4.470 0.001 0.000 0.287 832 S C -0.542 174.228 174.600 0.283 0.000 1.168 832 S CA -1.114 57.291 58.200 0.343 0.000 0.832 832 S CB 1.466 64.786 63.200 0.201 0.000 1.166 832 S HN 0.069 nan 8.310 nan 0.000 0.493 833 A N 0.434 123.420 122.820 0.276 0.000 2.445 833 A HA 0.503 4.823 4.320 0.001 0.000 0.242 833 A C -0.118 177.476 177.584 0.018 0.000 1.075 833 A CA 0.142 52.257 52.037 0.129 0.000 0.777 833 A CB -0.533 18.555 19.000 0.146 0.000 1.013 833 A HN 0.864 nan 8.150 nan 0.000 0.493 834 D N -0.435 119.943 120.400 -0.036 0.000 2.185 834 D HA 0.478 5.118 4.640 0.001 0.000 0.247 834 D C 0.825 177.051 176.300 -0.123 0.000 1.027 834 D CA -0.625 53.328 54.000 -0.078 0.000 0.861 834 D CB 0.994 41.813 40.800 0.032 0.000 1.202 834 D HN 0.508 nan 8.370 nan 0.000 0.453 835 R N 1.879 122.285 120.500 -0.156 0.000 2.476 835 R HA 0.320 4.660 4.340 0.001 0.000 0.276 835 R C 1.355 177.645 176.300 -0.016 0.000 0.941 835 R CA -0.155 55.867 56.100 -0.129 0.000 1.088 835 R CB 0.266 30.397 30.300 -0.281 0.000 1.216 835 R HN 0.390 nan 8.270 nan 0.000 0.533 836 G N 1.012 109.790 108.800 -0.036 0.000 2.408 836 G HA2 0.098 4.058 3.960 0.001 0.000 0.217 836 G HA3 0.098 4.058 3.960 0.001 0.000 0.217 836 G C 1.081 175.946 174.900 -0.058 0.000 1.150 836 G CA 0.818 45.918 45.100 -0.001 0.000 0.776 836 G HN 0.612 nan 8.290 nan 0.000 0.542 837 G N -2.243 106.484 108.800 -0.121 0.000 2.151 837 G HA2 -0.187 3.774 3.960 0.001 0.000 0.140 837 G HA3 -0.187 3.774 3.960 0.001 0.000 0.140 837 G C 0.170 174.730 174.900 -0.567 0.000 1.020 837 G CA -0.156 44.770 45.100 -0.291 0.000 0.688 837 G HN 0.519 nan 8.290 nan 0.000 0.500 838 C N 2.522 121.634 119.300 -0.314 0.000 2.773 838 C HA 0.252 4.712 4.460 0.001 0.000 0.442 838 C C 2.269 177.131 174.990 -0.215 0.000 1.028 838 C CA -0.505 58.342 59.018 -0.285 0.000 1.164 838 C CB -1.816 25.838 27.740 -0.143 0.000 1.593 838 C HN 0.458 nan 8.230 nan 0.000 0.557 839 I N 2.532 122.963 120.570 -0.231 0.000 2.423 839 I HA -0.140 4.031 4.170 0.001 0.000 0.254 839 I C 2.096 178.141 176.117 -0.119 0.000 1.151 839 I CA 1.404 62.631 61.300 -0.122 0.000 1.421 839 I CB -0.655 37.321 38.000 -0.040 0.000 1.079 839 I HN 0.613 nan 8.210 nan 0.000 0.431 840 N N 0.837 119.452 118.700 -0.142 0.000 2.609 840 N HA -0.041 4.699 4.740 0.001 0.000 0.190 840 N C 1.796 177.229 175.510 -0.129 0.000 1.157 840 N CA 0.496 53.468 53.050 -0.131 0.000 0.918 840 N CB -0.030 38.364 38.487 -0.156 0.000 0.978 840 N HN 0.416 nan 8.380 nan 0.000 0.448 841 I N 0.187 120.675 120.570 -0.137 0.000 2.493 841 I HA -0.188 3.982 4.170 0.001 0.000 0.254 841 I C 1.480 177.512 176.117 -0.142 0.000 1.160 841 I CA 0.855 62.071 61.300 -0.139 0.000 1.445 841 I CB 0.119 38.034 38.000 -0.142 0.000 1.086 841 I HN 0.085 nan 8.210 nan 0.000 0.433 842 L N -0.199 120.943 121.223 -0.135 0.000 2.529 842 L HA 0.073 4.414 4.340 0.001 0.000 0.223 842 L C 1.104 177.913 176.870 -0.102 0.000 1.113 842 L CA -0.073 54.685 54.840 -0.138 0.000 0.861 842 L CB -0.610 41.362 42.059 -0.146 0.000 1.012 842 L HN 0.257 nan 8.230 nan 0.000 0.461 843 T N -1.420 113.088 114.554 -0.077 0.000 2.910 843 T HA 0.281 4.631 4.350 0.001 0.000 0.293 843 T C -2.434 172.264 174.700 -0.002 0.000 1.015 843 T CA -1.857 60.220 62.100 -0.039 0.000 1.094 843 T CB 0.928 69.772 68.868 -0.039 0.000 0.968 843 T HN -0.120 nan 8.240 nan 0.000 0.521 844 P HA 0.177 nan 4.420 nan 0.000 0.271 844 P C -0.178 177.186 177.300 0.107 0.000 1.220 844 P CA -0.171 63.012 63.100 0.139 0.000 0.768 844 P CB 0.712 32.636 31.700 0.374 0.000 0.848 845 D N 2.155 122.566 120.400 0.019 0.000 2.349 845 D HA -0.005 4.636 4.640 0.001 0.000 0.214 845 D C 0.772 176.997 176.300 -0.125 0.000 1.063 845 D CA -0.057 53.910 54.000 -0.055 0.000 0.847 845 D CB -0.233 40.497 40.800 -0.116 0.000 0.933 845 D HN 0.311 nan 8.370 nan 0.000 0.513 846 R N 0.541 120.988 120.500 -0.088 0.000 2.537 846 R HA 0.062 4.402 4.340 0.001 0.000 0.280 846 R C -0.407 175.882 176.300 -0.020 0.000 1.058 846 R CA -0.378 55.575 56.100 -0.244 0.000 1.057 846 R CB 0.195 30.120 30.300 -0.626 0.000 0.973 846 R HN 0.038 nan 8.270 nan 0.000 0.438 847 Y N 3.658 123.907 120.300 -0.085 0.000 2.550 847 Y HA -0.123 4.428 4.550 0.001 0.000 0.343 847 Y C 1.975 177.940 175.900 0.109 0.000 1.245 847 Y CA -0.531 57.557 58.100 -0.020 0.000 1.462 847 Y CB 0.581 38.988 38.460 -0.088 0.000 1.340 847 Y HN 0.586 nan 8.280 nan 0.000 0.604 848 I N 0.828 121.592 120.570 0.323 0.000 2.185 848 I HA -0.298 3.873 4.170 0.001 0.000 0.246 848 I C 1.038 177.387 176.117 0.388 0.000 1.088 848 I CA 1.707 63.230 61.300 0.371 0.000 1.347 848 I CB -0.405 37.675 38.000 0.133 0.000 1.041 848 I HN 0.555 nan 8.210 nan 0.000 0.415 849 S N -1.404 114.387 115.700 0.151 0.000 2.705 849 S HA 0.274 4.744 4.470 0.001 0.000 0.280 849 S C 0.462 175.060 174.600 -0.003 0.000 1.174 849 S CA -0.858 57.417 58.200 0.125 0.000 0.823 849 S CB 1.922 65.247 63.200 0.207 0.000 1.162 849 S HN 0.063 nan 8.310 nan 0.000 0.487 850 K N -0.513 119.857 120.400 -0.050 0.000 2.063 850 K HA -0.097 4.223 4.320 0.001 0.000 0.208 850 K C 0.803 177.155 176.600 -0.413 0.000 1.048 850 K CA 1.961 58.084 56.287 -0.274 0.000 0.928 850 K CB -0.355 31.890 32.500 -0.425 0.000 0.713 850 K HN 0.709 nan 8.250 nan 0.000 0.442 851 Y N -1.105 119.264 120.300 0.115 0.000 2.444 851 Y HA 0.360 4.911 4.550 0.001 0.000 0.249 851 Y C 0.328 176.164 175.900 -0.106 0.000 1.134 851 Y CA -0.228 57.936 58.100 0.107 0.000 1.261 851 Y CB 0.705 39.375 38.460 0.351 0.000 1.143 851 Y HN -0.019 nan 8.280 nan 0.000 0.523 852 A N -0.024 122.724 122.820 -0.121 0.000 2.807 852 A HA 0.309 4.630 4.320 0.001 0.000 0.307 852 A C -0.075 176.787 177.584 -1.204 0.000 1.532 852 A CA -0.397 51.304 52.037 -0.559 0.000 1.215 852 A CB -1.185 17.727 19.000 -0.147 0.000 1.127 852 A HN 0.469 nan 8.150 nan 0.000 0.543 853 C N 2.941 121.145 119.300 -1.827 0.000 3.506 853 C HA 0.458 4.919 4.460 0.001 0.000 0.578 853 C C 1.434 175.681 174.990 -1.239 0.000 1.153 853 C CA -0.082 57.786 59.018 -1.918 0.000 1.248 853 C CB -1.994 24.954 27.740 -1.320 0.000 1.532 853 C HN 0.853 nan 8.230 nan 0.000 0.646 854 G N 0.888 109.178 108.800 -0.851 0.000 2.685 854 G HA2 0.692 4.652 3.960 0.001 0.000 0.298 854 G HA3 0.692 4.652 3.960 0.001 0.000 0.298 854 G C -0.478 174.506 174.900 0.139 0.000 1.277 854 G CA -0.833 44.195 45.100 -0.120 0.000 0.986 854 G HN 0.518 nan 8.290 nan 0.000 0.487 855 M N 0.177 119.888 119.600 0.186 0.000 2.211 855 M HA 0.668 5.148 4.480 0.001 0.000 0.356 855 M C 0.095 176.477 176.300 0.137 0.000 1.216 855 M CA -0.504 54.893 55.300 0.162 0.000 1.134 855 M CB 1.882 34.543 32.600 0.101 0.000 1.564 855 M HN 0.447 nan 8.290 nan 0.000 0.463 856 A N 3.065 125.970 122.820 0.141 0.000 2.793 856 A HA 0.290 4.611 4.320 0.001 0.000 0.301 856 A C 0.420 178.004 177.584 0.000 0.000 1.172 856 A CA -0.675 51.398 52.037 0.059 0.000 0.973 856 A CB -0.744 18.287 19.000 0.052 0.000 1.164 856 A HN 1.017 nan 8.150 nan 0.000 0.542 857 N N 1.367 120.080 118.700 0.022 0.000 2.060 857 N HA -0.185 4.556 4.740 0.001 0.000 0.195 857 N C 0.985 176.481 175.510 -0.023 0.000 1.028 857 N CA 1.676 54.725 53.050 -0.001 0.000 0.861 857 N CB -0.233 38.252 38.487 -0.003 0.000 1.029 857 N HN 0.456 nan 8.380 nan 0.000 0.428 858 N N 0.057 118.747 118.700 -0.017 0.000 2.627 858 N HA -0.034 4.707 4.740 0.001 0.000 0.196 858 N C -0.406 175.084 175.510 -0.033 0.000 1.268 858 N CA 0.631 53.670 53.050 -0.017 0.000 0.904 858 N CB -0.241 38.248 38.487 0.002 0.000 1.016 858 N HN 0.402 nan 8.380 nan 0.000 0.448 859 T N -1.941 112.569 114.554 -0.075 0.000 2.963 859 T HA 0.759 5.109 4.350 0.001 0.000 0.328 859 T C -0.589 174.049 174.700 -0.104 0.000 1.048 859 T CA -0.943 61.089 62.100 -0.114 0.000 1.033 859 T CB 1.656 70.400 68.868 -0.206 0.000 1.010 859 T HN 0.069 nan 8.240 nan 0.000 0.469 860 A N 4.108 126.888 122.820 -0.066 0.000 2.427 860 A HA 0.743 5.064 4.320 0.001 0.000 0.298 860 A C -0.758 176.801 177.584 -0.042 0.000 1.036 860 A CA -0.927 51.083 52.037 -0.045 0.000 0.701 860 A CB 1.233 20.201 19.000 -0.054 0.000 1.250 860 A HN 0.871 nan 8.150 nan 0.000 0.412 861 L N 2.913 124.126 121.223 -0.017 0.000 2.292 861 L HA 0.700 5.041 4.340 0.001 0.000 0.284 861 L C 0.169 176.993 176.870 -0.076 0.000 1.065 861 L CA -0.609 54.234 54.840 0.004 0.000 0.806 861 L CB 1.363 43.480 42.059 0.096 0.000 1.175 861 L HN 0.722 nan 8.230 nan 0.000 0.431 862 V N -0.023 119.840 119.914 -0.084 0.000 3.165 862 V HA 0.782 4.902 4.120 0.001 0.000 0.309 862 V C -1.301 174.703 176.094 -0.151 0.000 1.267 862 V CA -0.724 61.439 62.300 -0.229 0.000 1.067 862 V CB 2.259 33.944 31.823 -0.230 0.000 1.082 862 V HN 0.684 nan 8.190 nan 0.000 0.451 863 E N 0.570 120.552 120.200 -0.364 0.000 2.317 863 E HA 0.794 5.145 4.350 0.001 0.000 0.270 863 E C -1.088 175.291 176.600 -0.369 0.000 0.885 863 E CA -0.508 55.698 56.400 -0.324 0.000 0.760 863 E CB 1.911 31.383 29.700 -0.381 0.000 1.227 863 E HN 1.116 nan 8.360 nan 0.000 0.434 864 I N -0.382 120.133 120.570 -0.093 0.000 2.828 864 I HA 0.811 4.981 4.170 0.001 0.000 0.302 864 I C -1.041 175.160 176.117 0.141 0.000 1.101 864 I CA -0.860 60.464 61.300 0.040 0.000 1.031 864 I CB 2.281 40.292 38.000 0.018 0.000 1.231 864 I HN 0.646 nan 8.210 nan 0.000 0.427 865 E N 2.667 122.980 120.200 0.188 0.000 2.407 865 E HA 0.410 4.760 4.350 0.001 0.000 0.279 865 E C -1.728 174.969 176.600 0.161 0.000 1.012 865 E CA -1.255 55.250 56.400 0.175 0.000 0.800 865 E CB 1.565 31.399 29.700 0.224 0.000 1.276 865 E HN 0.556 nan 8.360 nan 0.000 0.452 866 K N 0.820 121.301 120.400 0.135 0.000 2.436 866 K HA 0.018 4.338 4.320 0.001 0.000 0.275 866 K C -0.685 176.048 176.600 0.221 0.000 0.999 866 K CA -0.176 56.197 56.287 0.143 0.000 0.980 866 K CB 0.459 33.015 32.500 0.093 0.000 0.919 866 K HN 0.472 nan 8.250 nan 0.000 0.484 867 W N 4.577 125.895 121.300 0.029 0.000 2.304 867 W HA 0.028 4.688 4.660 0.001 0.000 0.313 867 W C 0.267 176.824 176.519 0.063 0.000 1.323 867 W CA -0.732 56.645 57.345 0.054 0.000 1.223 867 W CB 0.311 29.791 29.460 0.035 0.000 1.237 867 W HN 0.655 nan 8.180 nan 0.000 0.535 868 D N 2.673 122.985 120.400 -0.147 0.000 2.340 868 D HA 0.155 4.795 4.640 0.001 0.000 0.220 868 D C 1.635 177.545 176.300 -0.650 0.000 1.039 868 D CA 0.506 54.329 54.000 -0.295 0.000 0.866 868 D CB -0.123 40.629 40.800 -0.080 0.000 0.913 868 D HN 0.715 nan 8.370 nan 0.000 0.523 869 G N 0.128 107.991 108.800 -1.561 0.000 2.175 869 G HA2 -0.288 3.672 3.960 0.001 0.000 0.244 869 G HA3 -0.288 3.672 3.960 0.001 0.000 0.244 869 G C -0.141 174.447 174.900 -0.521 0.000 0.982 869 G CA 0.058 44.267 45.100 -1.485 0.000 0.641 869 G HN 0.598 nan 8.290 nan 0.000 0.527 870 D N 0.159 120.446 120.400 -0.188 0.000 2.313 870 D HA 0.541 5.181 4.640 0.001 0.000 0.247 870 D C 1.756 178.226 176.300 0.283 0.000 1.094 870 D CA 0.162 54.108 54.000 -0.090 0.000 0.925 870 D CB 0.469 40.965 40.800 -0.506 0.000 1.188 870 D HN 0.336 nan 8.370 nan 0.000 0.430 871 K N 1.403 121.875 120.400 0.121 0.000 2.400 871 K HA -0.010 4.310 4.320 0.001 0.000 0.194 871 K C -0.235 176.541 176.600 0.293 0.000 1.033 871 K CA -0.118 56.320 56.287 0.252 0.000 1.021 871 K CB -0.096 32.487 32.500 0.139 0.000 0.808 871 K HN 0.551 nan 8.250 nan 0.000 0.505 872 Y N 1.918 122.304 120.300 0.143 0.000 2.988 872 Y HA -0.223 4.327 4.550 0.001 0.000 0.193 872 Y C -0.340 175.607 175.900 0.078 0.000 1.388 872 Y CA 0.690 58.849 58.100 0.099 0.000 0.904 872 Y CB -1.945 36.627 38.460 0.187 0.000 1.297 872 Y HN 0.428 nan 8.280 nan 0.000 0.432 873 E N 2.363 122.607 120.200 0.073 0.000 1.892 873 E HA 0.339 4.689 4.350 0.001 0.000 0.271 873 E C 0.875 177.447 176.600 -0.046 0.000 1.146 873 E CA 0.110 56.550 56.400 0.067 0.000 1.096 873 E CB -0.309 29.421 29.700 0.049 0.000 1.155 873 E HN 0.641 nan 8.360 nan 0.000 0.458 874 I N -0.915 119.524 120.570 -0.219 0.000 4.160 874 I HA 0.281 4.451 4.170 0.001 0.000 0.325 874 I C -0.753 175.068 176.117 -0.494 0.000 1.455 874 I CA -0.692 60.390 61.300 -0.364 0.000 1.142 874 I CB 0.090 37.840 38.000 -0.417 0.000 1.262 874 I HN 0.066 nan 8.210 nan 0.000 0.483 875 Y N 0.000 120.353 120.300 0.088 0.000 2.660 875 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 875 Y CA 0.000 58.145 58.100 0.074 0.000 1.940 875 Y CB 0.000 38.506 38.460 0.077 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758