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_A 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 0.020 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 G N -0.755 108.058 108.800 0.022 0.000 2.706 2 G HA2 0.738 4.697 3.960 -0.001 0.000 0.307 2 G HA3 0.738 4.697 3.960 -0.001 0.000 0.307 2 G C -1.446 173.469 174.900 0.024 0.000 1.307 2 G CA -0.537 44.577 45.100 0.023 0.000 0.790 2 G HN -0.081 nan 8.290 nan 0.000 0.503 3 E N -0.756 119.459 120.200 0.026 0.000 2.254 3 E HA 0.522 4.872 4.350 -0.001 0.000 0.258 3 E C -0.196 176.427 176.600 0.038 0.000 1.033 3 E CA -0.702 55.715 56.400 0.028 0.000 0.893 3 E CB 2.058 31.772 29.700 0.023 0.000 1.204 3 E HN 0.198 nan 8.360 nan 0.000 0.425 4 V N 1.323 121.267 119.914 0.050 0.000 2.555 4 V HA 0.138 4.257 4.120 -0.001 0.000 0.286 4 V C 0.167 176.299 176.094 0.062 0.000 1.044 4 V CA -0.308 62.040 62.300 0.079 0.000 1.026 4 V CB 1.078 32.972 31.823 0.119 0.000 0.981 4 V HN 0.283 nan 8.190 nan 0.000 0.480 5 V N 5.634 125.574 119.914 0.043 0.000 2.555 5 V HA 0.480 4.599 4.120 -0.001 0.000 0.302 5 V C 0.156 176.184 176.094 -0.109 0.000 1.038 5 V CA -0.889 61.398 62.300 -0.022 0.000 0.887 5 V CB 1.881 33.694 31.823 -0.016 0.000 0.991 5 V HN 0.845 nan 8.190 nan 0.000 0.434 6 R N 4.292 124.645 120.500 -0.245 0.000 2.202 6 R HA 0.652 4.991 4.340 -0.001 0.000 0.334 6 R C -1.218 174.891 176.300 -0.318 0.000 1.036 6 R CA -0.268 55.515 56.100 -0.528 0.000 0.878 6 R CB 0.498 30.331 30.300 -0.779 0.000 1.067 6 R HN 0.683 nan 8.270 nan 0.000 0.457 7 L N 1.948 123.040 121.223 -0.217 0.000 2.260 7 L HA 0.592 4.931 4.340 -0.001 0.000 0.265 7 L C 0.184 177.068 176.870 0.023 0.000 1.015 7 L CA -1.024 53.761 54.840 -0.092 0.000 0.826 7 L CB 2.248 44.264 42.059 -0.071 0.000 1.373 7 L HN 0.672 nan 8.230 nan 0.000 0.450 8 T N -2.086 112.478 114.554 0.016 0.000 2.887 8 T HA 0.595 4.944 4.350 -0.001 0.000 0.288 8 T C -0.654 174.006 174.700 -0.066 0.000 1.021 8 T CA -0.684 61.437 62.100 0.035 0.000 1.000 8 T CB 2.341 71.241 68.868 0.054 0.000 1.034 8 T HN 0.565 nan 8.240 nan 0.000 0.467 9 N N -0.284 118.348 118.700 -0.112 0.000 3.308 9 N HA 0.567 5.306 4.740 -0.001 0.000 0.276 9 N C -1.552 173.833 175.510 -0.208 0.000 1.533 9 N CA -0.435 52.474 53.050 -0.236 0.000 0.878 9 N CB 1.896 40.058 38.487 -0.542 0.000 1.566 9 N HN 0.777 nan 8.380 nan 0.000 0.546 10 S N -1.142 114.411 115.700 -0.244 0.000 2.790 10 S HA 0.854 5.323 4.470 -0.001 0.000 0.292 10 S C -1.570 172.943 174.600 -0.144 0.000 1.197 10 S CA 0.152 58.270 58.200 -0.136 0.000 0.851 10 S CB 0.659 63.901 63.200 0.068 0.000 1.217 10 S HN 0.976 nan 8.310 nan 0.000 0.526 11 S N -0.597 114.966 115.700 -0.228 0.000 2.683 11 S HA 0.325 4.794 4.470 -0.001 0.000 0.269 11 S C 0.412 174.713 174.600 -0.499 0.000 1.165 11 S CA 0.243 58.325 58.200 -0.196 0.000 0.840 11 S CB 0.265 63.362 63.200 -0.172 0.000 1.169 11 S HN 1.222 nan 8.310 nan 0.000 0.490 12 T N -2.082 112.370 114.554 -0.170 0.000 3.163 12 T HA 0.277 4.627 4.350 -0.001 0.000 0.260 12 T C 1.243 176.016 174.700 0.122 0.000 1.156 12 T CA 0.936 62.976 62.100 -0.100 0.000 1.072 12 T CB -0.659 68.383 68.868 0.291 0.000 0.937 12 T HN 1.245 nan 8.240 nan 0.000 0.528 13 G N -0.201 108.630 108.800 0.051 0.000 3.519 13 G HA2 0.580 4.539 3.960 -0.001 0.000 0.269 13 G HA3 0.580 4.539 3.960 -0.001 0.000 0.269 13 G C 0.532 175.354 174.900 -0.130 0.000 1.028 13 G CA -0.127 44.972 45.100 -0.002 0.000 0.809 13 G HN 0.972 nan 8.290 nan 0.000 0.521 14 G N -0.222 108.456 108.800 -0.203 0.000 2.515 14 G HA2 0.141 4.101 3.960 -0.001 0.000 0.686 14 G HA3 0.141 4.101 3.960 -0.001 0.000 0.686 14 G C -3.387 171.204 174.900 -0.515 0.000 1.274 14 G CA -0.932 43.921 45.100 -0.411 0.000 0.874 14 G HN 0.131 nan 8.290 nan 0.000 0.631 15 P HA 0.545 nan 4.420 nan 0.000 0.274 15 P C 0.097 177.156 177.300 -0.401 0.000 1.231 15 P CA -0.172 62.635 63.100 -0.489 0.000 0.790 15 P CB 1.425 32.796 31.700 -0.547 0.000 0.951 16 V N -1.661 118.079 119.914 -0.290 0.000 3.114 16 V HA 0.571 4.691 4.120 -0.001 0.000 0.308 16 V C -1.182 174.813 176.094 -0.165 0.000 1.168 16 V CA -1.075 61.106 62.300 -0.198 0.000 1.015 16 V CB 1.836 33.668 31.823 0.015 0.000 1.050 16 V HN 0.289 nan 8.190 nan 0.000 0.433 17 F N 1.147 121.066 119.950 -0.052 0.000 2.408 17 F HA 0.720 5.246 4.527 -0.001 0.000 0.344 17 F C 0.011 175.798 175.800 -0.022 0.000 1.112 17 F CA -0.922 57.013 58.000 -0.109 0.000 1.096 17 F CB 2.133 41.053 39.000 -0.133 0.000 1.129 17 F HN 0.379 nan 8.300 nan 0.000 0.486 18 V N 4.815 124.812 119.914 0.139 0.000 2.378 18 V HA 0.209 4.328 4.120 -0.001 0.000 0.288 18 V C -0.870 175.236 176.094 0.020 0.000 1.016 18 V CA -0.973 61.428 62.300 0.168 0.000 0.840 18 V CB 0.811 32.768 31.823 0.223 0.000 0.994 18 V HN 0.452 nan 8.190 nan 0.000 0.431 19 Y N 3.703 124.060 120.300 0.096 0.000 2.350 19 Y HA 0.563 5.113 4.550 -0.001 0.000 0.340 19 Y C 0.268 176.206 175.900 0.064 0.000 1.006 19 Y CA -0.448 57.684 58.100 0.054 0.000 1.166 19 Y CB 1.416 39.896 38.460 0.034 0.000 1.168 19 Y HN 0.381 nan 8.280 nan 0.000 0.502 20 V N 4.291 124.294 119.914 0.148 0.000 2.769 20 V HA 0.560 4.679 4.120 -0.001 0.000 0.312 20 V C -0.564 175.589 176.094 0.098 0.000 1.061 20 V CA -1.380 60.992 62.300 0.121 0.000 0.931 20 V CB 2.131 34.006 31.823 0.086 0.000 1.010 20 V HN 0.649 nan 8.190 nan 0.000 0.433 21 K N 2.051 122.504 120.400 0.088 0.000 2.535 21 K HA 0.331 4.650 4.320 -0.001 0.000 0.251 21 K C -1.019 175.614 176.600 0.054 0.000 0.942 21 K CA -0.526 55.800 56.287 0.065 0.000 0.798 21 K CB 1.498 34.033 32.500 0.059 0.000 1.267 21 K HN 0.754 nan 8.250 nan 0.000 0.434 22 D N 3.151 123.578 120.400 0.045 0.000 2.686 22 D HA -0.197 4.443 4.640 -0.001 0.000 0.235 22 D C 0.579 176.907 176.300 0.047 0.000 1.160 22 D CA 1.878 55.902 54.000 0.040 0.000 0.645 22 D CB -1.121 39.696 40.800 0.027 0.000 1.039 22 D HN 1.106 nan 8.370 nan 0.000 0.423 23 G N -0.035 108.801 108.800 0.060 0.000 2.168 23 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.257 23 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.257 23 G C 0.236 175.195 174.900 0.099 0.000 0.997 23 G CA 0.960 46.104 45.100 0.074 0.000 0.708 23 G HN 0.666 nan 8.290 nan 0.000 0.520 24 K N -0.089 120.370 120.400 0.099 0.000 2.378 24 K HA 0.664 4.983 4.320 -0.001 0.000 0.252 24 K C 0.124 176.826 176.600 0.170 0.000 0.931 24 K CA -1.277 55.089 56.287 0.131 0.000 0.794 24 K CB 1.090 33.611 32.500 0.034 0.000 1.181 24 K HN 0.090 nan 8.250 nan 0.000 0.425 25 I N 6.268 127.004 120.570 0.277 0.000 2.452 25 I HA 0.033 4.202 4.170 -0.001 0.000 0.287 25 I C 1.193 177.435 176.117 0.208 0.000 1.079 25 I CA -0.055 61.390 61.300 0.243 0.000 1.387 25 I CB 0.727 38.868 38.000 0.236 0.000 1.404 25 I HN 0.683 nan 8.210 nan 0.000 0.522 26 I N 5.840 126.513 120.570 0.171 0.000 2.494 26 I HA 0.025 4.194 4.170 -0.001 0.000 0.250 26 I C 0.968 177.156 176.117 0.118 0.000 1.112 26 I CA 0.609 61.983 61.300 0.123 0.000 1.438 26 I CB 0.007 38.066 38.000 0.097 0.000 1.111 26 I HN 0.661 nan 8.210 nan 0.000 0.431 27 R N 0.349 120.947 120.500 0.163 0.000 2.728 27 R HA 0.642 4.981 4.340 -0.001 0.000 0.274 27 R C -1.666 174.775 176.300 0.235 0.000 1.030 27 R CA -0.833 55.355 56.100 0.146 0.000 0.876 27 R CB 1.497 31.820 30.300 0.038 0.000 1.259 27 R HN -0.128 nan 8.270 nan 0.000 0.468 28 M N 1.633 121.350 119.600 0.195 0.000 2.263 28 M HA 0.386 4.865 4.480 -0.001 0.000 0.295 28 M C -1.002 175.406 176.300 0.180 0.000 1.028 28 M CA -0.710 54.722 55.300 0.220 0.000 0.921 28 M CB 2.691 35.392 32.600 0.168 0.000 1.601 28 M HN 0.961 nan 8.290 nan 0.000 0.440 29 T N 0.425 115.108 114.554 0.215 0.000 2.887 29 T HA 0.794 5.143 4.350 -0.001 0.000 0.292 29 T C -3.026 171.707 174.700 0.057 0.000 1.087 29 T CA -2.096 60.092 62.100 0.146 0.000 1.009 29 T CB 2.145 71.139 68.868 0.211 0.000 1.203 29 T HN 0.211 nan 8.240 nan 0.000 0.518 30 P HA 0.348 nan 4.420 nan 0.000 0.273 30 P C -0.639 176.557 177.300 -0.173 0.000 1.250 30 P CA -0.544 62.485 63.100 -0.118 0.000 0.793 30 P CB 0.325 31.972 31.700 -0.087 0.000 1.011 31 M N 0.858 120.239 119.600 -0.365 0.000 2.238 31 M HA 0.255 4.735 4.480 -0.001 0.000 0.350 31 M C -0.189 175.921 176.300 -0.317 0.000 1.138 31 M CA -0.245 54.732 55.300 -0.538 0.000 1.040 31 M CB 0.949 32.985 32.600 -0.940 0.000 1.639 31 M HN 0.159 nan 8.290 nan 0.000 0.451 32 D N 3.162 123.558 120.400 -0.007 0.000 2.225 32 D HA 0.375 5.014 4.640 -0.001 0.000 0.248 32 D C -0.864 175.543 176.300 0.178 0.000 1.096 32 D CA 0.057 54.055 54.000 -0.002 0.000 0.863 32 D CB 1.216 42.081 40.800 0.108 0.000 1.156 32 D HN 0.417 nan 8.370 nan 0.000 0.450 33 F N 0.761 120.706 119.950 -0.007 0.000 2.375 33 F HA 0.075 4.601 4.527 -0.001 0.000 0.333 33 F C 1.264 177.109 175.800 0.076 0.000 1.104 33 F CA -0.773 57.245 58.000 0.030 0.000 1.149 33 F CB 1.159 40.119 39.000 -0.066 0.000 1.190 33 F HN 0.111 nan 8.300 nan 0.000 0.533 34 D N 2.486 123.078 120.400 0.321 0.000 2.473 34 D HA 0.089 4.729 4.640 -0.001 0.000 0.226 34 D C 0.306 176.680 176.300 0.125 0.000 1.089 34 D CA -0.375 53.738 54.000 0.188 0.000 0.883 34 D CB 0.597 41.500 40.800 0.173 0.000 1.029 34 D HN 0.394 nan 8.370 nan 0.000 0.517 35 D N 2.585 123.048 120.400 0.105 0.000 2.357 35 D HA -0.144 4.495 4.640 -0.001 0.000 0.216 35 D C 1.639 177.964 176.300 0.043 0.000 0.973 35 D CA 0.772 54.812 54.000 0.067 0.000 0.912 35 D CB 0.151 40.988 40.800 0.061 0.000 0.900 35 D HN 0.539 nan 8.370 nan 0.000 0.501 36 A N -0.043 122.805 122.820 0.046 0.000 2.021 36 A HA 0.026 4.345 4.320 -0.001 0.000 0.216 36 A C 2.066 179.666 177.584 0.027 0.000 1.163 36 A CA 1.219 53.276 52.037 0.034 0.000 0.676 36 A CB 0.129 19.148 19.000 0.033 0.000 0.818 36 A HN 0.245 nan 8.150 nan 0.000 0.453 37 V N -4.456 115.472 119.914 0.023 0.000 3.485 37 V HA 0.277 4.396 4.120 -0.001 0.000 0.280 37 V C -0.718 175.356 176.094 -0.033 0.000 1.495 37 V CA -0.311 61.992 62.300 0.006 0.000 1.018 37 V CB 0.092 31.914 31.823 -0.003 0.000 0.818 37 V HN 0.156 nan 8.190 nan 0.000 0.436 38 D N 2.661 123.031 120.400 -0.050 0.000 2.256 38 D HA 0.680 5.320 4.640 -0.001 0.000 0.240 38 D C 0.466 176.672 176.300 -0.157 0.000 1.062 38 D CA 0.396 54.297 54.000 -0.165 0.000 0.832 38 D CB 2.068 42.742 40.800 -0.209 0.000 1.135 38 D HN 0.488 nan 8.370 nan 0.000 0.484 39 A N 3.766 126.453 122.820 -0.221 0.000 2.555 39 A HA 0.263 4.582 4.320 -0.001 0.000 0.233 39 A C -2.023 175.505 177.584 -0.094 0.000 1.060 39 A CA -0.532 51.417 52.037 -0.147 0.000 0.759 39 A CB -0.440 18.438 19.000 -0.203 0.000 0.995 39 A HN 0.328 nan 8.150 nan 0.000 0.506 40 P HA 0.182 nan 4.420 nan 0.000 0.269 40 P C -0.096 177.232 177.300 0.048 0.000 1.215 40 P CA -0.028 63.083 63.100 0.019 0.000 0.780 40 P CB 0.582 32.297 31.700 0.025 0.000 0.898 41 S N 0.860 116.600 115.700 0.066 0.000 2.655 41 S HA 0.338 4.808 4.470 -0.001 0.000 0.265 41 S C -0.019 174.559 174.600 -0.036 0.000 1.240 41 S CA -0.712 57.498 58.200 0.015 0.000 0.986 41 S CB 0.202 63.368 63.200 -0.058 0.000 0.985 41 S HN 0.507 nan 8.310 nan 0.000 0.562 42 W N 0.287 121.620 121.300 0.056 0.000 2.086 42 W HA 0.629 5.289 4.660 -0.001 0.000 0.355 42 W C -0.734 175.817 176.519 0.054 0.000 1.313 42 W CA -0.671 56.694 57.345 0.034 0.000 1.358 42 W CB -0.005 29.460 29.460 0.008 0.000 1.166 42 W HN 0.381 nan 8.180 nan 0.000 0.630 43 K N 1.229 121.902 120.400 0.456 0.000 2.464 43 K HA 0.603 4.922 4.320 -0.001 0.000 0.253 43 K C -1.145 175.679 176.600 0.373 0.000 0.933 43 K CA -0.921 55.558 56.287 0.319 0.000 0.801 43 K CB 2.773 35.342 32.500 0.115 0.000 1.271 43 K HN 0.372 nan 8.250 nan 0.000 0.430 44 I N 2.335 123.105 120.570 0.335 0.000 2.447 44 I HA 0.213 4.382 4.170 -0.001 0.000 0.287 44 I C -0.899 175.307 176.117 0.148 0.000 1.023 44 I CA -0.839 60.599 61.300 0.231 0.000 1.083 44 I CB 2.102 40.251 38.000 0.249 0.000 1.245 44 I HN 0.465 nan 8.210 nan 0.000 0.434 45 E N 5.245 125.491 120.200 0.076 0.000 2.134 45 E HA 0.737 5.086 4.350 -0.001 0.000 0.278 45 E C -0.758 175.873 176.600 0.051 0.000 0.959 45 E CA -0.310 56.098 56.400 0.014 0.000 0.783 45 E CB 1.812 31.507 29.700 -0.009 0.000 1.095 45 E HN 0.640 nan 8.360 nan 0.000 0.399 46 A N 3.155 126.023 122.820 0.081 0.000 2.547 46 A HA 0.570 4.889 4.320 -0.001 0.000 0.297 46 A C -0.599 177.052 177.584 0.112 0.000 1.056 46 A CA -0.889 51.214 52.037 0.111 0.000 0.688 46 A CB 0.943 20.048 19.000 0.174 0.000 1.282 46 A HN 0.670 nan 8.150 nan 0.000 0.400 47 R N 0.924 121.458 120.500 0.057 0.000 3.184 47 R HA -0.236 4.103 4.340 -0.001 0.000 0.242 47 R C 1.194 177.509 176.300 0.024 0.000 0.907 47 R CA 1.331 57.463 56.100 0.054 0.000 0.618 47 R CB -1.738 28.616 30.300 0.089 0.000 1.016 47 R HN 2.508 nan 8.270 nan 0.000 0.469 48 G N -0.674 108.118 108.800 -0.014 0.000 2.168 48 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.263 48 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.263 48 G C 0.045 174.874 174.900 -0.119 0.000 0.977 48 G CA 1.096 46.168 45.100 -0.048 0.000 0.659 48 G HN 0.463 nan 8.290 nan 0.000 0.533 49 K N -0.625 119.652 120.400 -0.204 0.000 2.400 49 K HA 0.680 4.999 4.320 -0.001 0.000 0.246 49 K C -0.858 175.381 176.600 -0.602 0.000 0.995 49 K CA -0.685 55.328 56.287 -0.456 0.000 0.840 49 K CB 1.822 33.896 32.500 -0.711 0.000 1.293 49 K HN 0.022 nan 8.250 nan 0.000 0.445 50 T N 1.744 115.892 114.554 -0.676 0.000 2.791 50 T HA 0.459 4.809 4.350 -0.001 0.000 0.288 50 T C -1.037 173.228 174.700 -0.725 0.000 0.999 50 T CA -0.531 61.264 62.100 -0.509 0.000 0.952 50 T CB 0.023 68.735 68.868 -0.260 0.000 0.938 50 T HN 0.231 nan 8.240 nan 0.000 0.444 51 F N 1.877 121.629 119.950 -0.331 0.000 2.427 51 F HA 0.613 5.139 4.527 -0.001 0.000 0.346 51 F C 0.887 176.492 175.800 -0.326 0.000 1.120 51 F CA -0.728 56.883 58.000 -0.649 0.000 1.033 51 F CB 1.945 40.217 39.000 -1.213 0.000 1.126 51 F HN 0.350 nan 8.300 nan 0.000 0.462 52 T N 4.840 119.345 114.554 -0.082 0.000 2.952 52 T HA 0.465 4.815 4.350 -0.001 0.000 0.305 52 T C -2.809 171.901 174.700 0.016 0.000 1.064 52 T CA -1.862 60.127 62.100 -0.185 0.000 1.008 52 T CB 1.555 70.336 68.868 -0.146 0.000 1.078 52 T HN 0.330 nan 8.240 nan 0.000 0.459 53 P HA 0.407 nan 4.420 nan 0.000 0.274 53 P C -2.764 174.564 177.300 0.047 0.000 1.246 53 P CA -1.295 61.779 63.100 -0.043 0.000 0.795 53 P CB -0.547 30.992 31.700 -0.268 0.000 1.006 54 P HA 0.196 nan 4.420 nan 0.000 0.272 54 P C 0.251 177.555 177.300 0.006 0.000 1.223 54 P CA -0.082 63.036 63.100 0.031 0.000 0.784 54 P CB 0.324 32.018 31.700 -0.009 0.000 0.923 55 R N 2.682 123.138 120.500 -0.073 0.000 4.792 55 R HA 0.180 4.519 4.340 -0.001 0.000 0.205 55 R C 0.367 176.268 176.300 -0.666 0.000 1.875 55 R CA 0.289 56.278 56.100 -0.186 0.000 1.588 55 R CB -0.595 29.700 30.300 -0.009 0.000 1.401 55 R HN 0.491 nan 8.270 nan 0.000 0.834 56 K N -0.182 119.699 120.400 -0.866 0.000 2.642 56 K HA 0.151 4.471 4.320 -0.001 0.000 0.290 56 K C -0.769 175.466 176.600 -0.609 0.000 1.006 56 K CA -0.491 55.261 56.287 -0.892 0.000 0.869 56 K CB 1.597 33.862 32.500 -0.392 0.000 1.499 56 K HN 0.127 nan 8.250 nan 0.000 0.403 57 T N -1.323 112.958 114.554 -0.455 0.000 2.910 57 T HA 0.689 5.038 4.350 -0.001 0.000 0.279 57 T C -0.088 174.561 174.700 -0.086 0.000 0.989 57 T CA -0.462 61.552 62.100 -0.142 0.000 0.968 57 T CB 1.270 70.001 68.868 -0.228 0.000 1.135 57 T HN 0.633 nan 8.240 nan 0.000 0.562 58 S N -0.299 115.417 115.700 0.027 0.000 2.595 58 S HA 0.790 5.260 4.470 -0.001 0.000 0.281 58 S C -0.599 174.012 174.600 0.019 0.000 1.117 58 S CA -1.083 57.148 58.200 0.052 0.000 0.873 58 S CB 1.075 64.368 63.200 0.154 0.000 1.108 58 S HN 1.212 nan 8.310 nan 0.000 0.477 59 I N -1.559 119.023 120.570 0.020 0.000 3.002 59 I HA 0.944 5.113 4.170 -0.001 0.000 0.310 59 I C -0.171 175.872 176.117 -0.123 0.000 1.087 59 I CA -1.665 59.586 61.300 -0.081 0.000 1.017 59 I CB 1.581 39.525 38.000 -0.095 0.000 1.226 59 I HN 0.858 nan 8.210 nan 0.000 0.443 60 A N 3.229 125.823 122.820 -0.377 0.000 2.271 60 A HA 0.670 4.990 4.320 -0.001 0.000 0.288 60 A C -1.950 175.357 177.584 -0.461 0.000 1.094 60 A CA -1.604 50.038 52.037 -0.659 0.000 0.828 60 A CB 0.012 18.228 19.000 -1.306 0.000 1.091 60 A HN 0.700 nan 8.150 nan 0.000 0.493 61 P HA -0.212 nan 4.420 nan 0.000 0.215 61 P C 0.909 178.178 177.300 -0.051 0.000 1.157 61 P CA 2.141 65.218 63.100 -0.039 0.000 0.874 61 P CB -0.248 31.561 31.700 0.182 0.000 0.790 62 Y N -2.290 118.052 120.300 0.071 0.000 2.403 62 Y HA -0.032 4.517 4.550 -0.001 0.000 0.291 62 Y C 1.927 177.911 175.900 0.141 0.000 1.143 62 Y CA 1.106 59.248 58.100 0.070 0.000 1.257 62 Y CB -2.278 36.204 38.460 0.037 0.000 0.984 62 Y HN -0.155 nan 8.280 nan 0.000 0.550 63 T N 0.284 114.842 114.554 0.007 0.000 2.976 63 T HA 0.104 4.453 4.350 -0.001 0.000 0.257 63 T C 2.242 177.005 174.700 0.105 0.000 1.051 63 T CA 0.946 63.101 62.100 0.092 0.000 1.141 63 T CB -0.411 68.415 68.868 -0.071 0.000 0.881 63 T HN 0.532 nan 8.240 nan 0.000 0.461 64 A N 1.164 124.008 122.820 0.040 0.000 1.940 64 A HA 0.123 4.442 4.320 -0.001 0.000 0.219 64 A C 2.185 179.845 177.584 0.128 0.000 1.176 64 A CA 1.669 53.748 52.037 0.070 0.000 0.631 64 A CB -0.808 18.220 19.000 0.048 0.000 0.814 64 A HN 0.500 nan 8.150 nan 0.000 0.446 65 G N -2.793 106.096 108.800 0.149 0.000 3.502 65 G HA2 0.269 4.229 3.960 -0.001 0.000 0.267 65 G HA3 0.269 4.229 3.960 -0.001 0.000 0.267 65 G C 0.748 175.673 174.900 0.041 0.000 1.090 65 G CA 0.106 45.312 45.100 0.177 0.000 0.795 65 G HN 0.339 nan 8.290 nan 0.000 0.535 66 F N 1.287 121.204 119.950 -0.054 0.000 2.333 66 F HA 0.011 4.537 4.527 -0.001 0.000 0.300 66 F C 2.411 178.066 175.800 -0.242 0.000 1.083 66 F CA 1.407 59.330 58.000 -0.128 0.000 1.395 66 F CB 0.297 39.231 39.000 -0.109 0.000 1.056 66 F HN 0.207 nan 8.300 nan 0.000 0.529 67 K N 0.093 120.393 120.400 -0.167 0.000 2.152 67 K HA -0.191 4.128 4.320 -0.001 0.000 0.206 67 K C 2.177 178.580 176.600 -0.329 0.000 1.048 67 K CA 1.606 57.754 56.287 -0.231 0.000 0.933 67 K CB -0.298 32.207 32.500 0.007 0.000 0.721 67 K HN 0.380 nan 8.250 nan 0.000 0.447 68 S N -0.139 115.246 115.700 -0.525 0.000 2.507 68 S HA -0.088 4.381 4.470 -0.001 0.000 0.235 68 S C 1.794 176.121 174.600 -0.456 0.000 0.988 68 S CA 0.761 58.551 58.200 -0.682 0.000 0.944 68 S CB -0.130 62.189 63.200 -1.468 0.000 0.762 68 S HN 0.298 nan 8.310 nan 0.000 0.526 69 M N 0.453 119.721 119.600 -0.553 0.000 2.357 69 M HA 0.274 4.753 4.480 -0.001 0.000 0.266 69 M C 1.963 178.158 176.300 -0.175 0.000 1.095 69 M CA 0.845 55.856 55.300 -0.481 0.000 1.156 69 M CB -0.340 31.732 32.600 -0.881 0.000 1.365 69 M HN 0.271 nan 8.290 nan 0.000 0.447 70 I N -0.777 119.519 120.570 -0.456 0.000 2.179 70 I HA -0.267 3.902 4.170 -0.001 0.000 0.242 70 I C 1.128 177.065 176.117 -0.299 0.000 1.088 70 I CA 1.423 62.484 61.300 -0.398 0.000 1.357 70 I CB -0.231 37.362 38.000 -0.679 0.000 1.051 70 I HN 0.235 nan 8.210 nan 0.000 0.409 71 Y N 0.682 120.927 120.300 -0.090 0.000 2.583 71 Y HA 0.230 4.779 4.550 -0.001 0.000 0.294 71 Y C 1.306 177.183 175.900 -0.038 0.000 1.170 71 Y CA -0.715 57.352 58.100 -0.054 0.000 1.265 71 Y CB -0.593 37.831 38.460 -0.058 0.000 1.119 71 Y HN -0.064 nan 8.280 nan 0.000 0.522 72 S N 1.153 116.918 115.700 0.108 0.000 2.560 72 S HA -0.045 4.425 4.470 -0.001 0.000 0.284 72 S C 1.101 175.772 174.600 0.118 0.000 1.327 72 S CA -0.304 57.955 58.200 0.098 0.000 1.055 72 S CB 0.500 63.795 63.200 0.157 0.000 0.868 72 S HN 0.567 nan 8.310 nan 0.000 0.506 73 D N 3.707 124.153 120.400 0.076 0.000 2.363 73 D HA -0.018 4.621 4.640 -0.001 0.000 0.226 73 D C 1.084 177.442 176.300 0.098 0.000 1.020 73 D CA 0.556 54.580 54.000 0.040 0.000 0.892 73 D CB -0.224 40.570 40.800 -0.009 0.000 0.900 73 D HN 0.523 nan 8.370 nan 0.000 0.531 74 L N -0.747 120.606 121.223 0.218 0.000 2.667 74 L HA 0.258 4.597 4.340 -0.001 0.000 0.232 74 L C 0.773 177.911 176.870 0.446 0.000 1.138 74 L CA -0.668 54.411 54.840 0.399 0.000 0.921 74 L CB 0.027 42.285 42.059 0.332 0.000 1.180 74 L HN -0.109 nan 8.230 nan 0.000 0.487 75 R N 1.534 122.220 120.500 0.311 0.000 2.537 75 R HA 0.141 4.481 4.340 -0.001 0.000 0.280 75 R C -0.166 176.164 176.300 0.050 0.000 1.058 75 R CA 0.081 56.244 56.100 0.106 0.000 1.057 75 R CB 0.151 30.459 30.300 0.013 0.000 0.973 75 R HN 0.056 nan 8.270 nan 0.000 0.438 76 I N 8.801 129.333 120.570 -0.062 0.000 2.581 76 I HA 0.039 4.208 4.170 -0.001 0.000 0.285 76 I C -1.313 174.689 176.117 -0.192 0.000 1.129 76 I CA -1.396 59.843 61.300 -0.101 0.000 1.397 76 I CB 1.077 38.984 38.000 -0.154 0.000 1.399 76 I HN 0.661 nan 8.210 nan 0.000 0.537 77 P HA -0.049 nan 4.420 nan 0.000 0.220 77 P C -0.915 176.149 177.300 -0.394 0.000 1.152 77 P CA 1.252 64.061 63.100 -0.484 0.000 0.812 77 P CB 0.176 31.371 31.700 -0.843 0.000 0.792 78 Y N -6.884 113.373 120.300 -0.071 0.000 2.779 78 Y HA 0.588 5.137 4.550 -0.001 0.000 0.340 78 Y C -3.292 172.436 175.900 -0.287 0.000 1.252 78 Y CA -3.975 54.034 58.100 -0.151 0.000 1.072 78 Y CB -0.832 37.564 38.460 -0.107 0.000 1.343 78 Y HN -0.402 nan 8.280 nan 0.000 0.450 79 P HA 0.243 nan 4.420 nan 0.000 0.266 79 P C -0.846 176.414 177.300 -0.066 0.000 1.195 79 P CA 0.580 63.444 63.100 -0.392 0.000 0.768 79 P CB 0.373 31.659 31.700 -0.689 0.000 0.838 80 M N 2.245 121.801 119.600 -0.074 0.000 2.591 80 M HA 0.453 4.933 4.480 -0.001 0.000 0.306 80 M C -0.171 176.193 176.300 0.107 0.000 1.190 80 M CA -0.618 54.713 55.300 0.053 0.000 0.889 80 M CB 2.911 35.500 32.600 -0.019 0.000 1.728 80 M HN 0.107 nan 8.290 nan 0.000 0.458 81 K N 1.667 122.204 120.400 0.229 0.000 2.427 81 K HA 0.488 4.807 4.320 -0.001 0.000 0.252 81 K C -1.153 175.623 176.600 0.293 0.000 0.931 81 K CA -0.780 55.661 56.287 0.257 0.000 0.793 81 K CB 2.228 34.841 32.500 0.189 0.000 1.211 81 K HN 0.773 nan 8.250 nan 0.000 0.426 82 R N 3.666 124.290 120.500 0.207 0.000 2.421 82 R HA 0.030 4.369 4.340 -0.001 0.000 0.305 82 R C 0.499 176.810 176.300 0.018 0.000 1.039 82 R CA 0.387 56.405 56.100 -0.136 0.000 1.003 82 R CB 0.559 30.785 30.300 -0.123 0.000 0.959 82 R HN 0.682 nan 8.270 nan 0.000 0.427 83 K N 1.490 121.849 120.400 -0.068 0.000 2.074 83 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 83 K C 1.608 178.225 176.600 0.028 0.000 1.048 83 K CA 2.110 58.397 56.287 -0.001 0.000 0.926 83 K CB -0.008 32.476 32.500 -0.027 0.000 0.713 83 K HN 0.703 nan 8.250 nan 0.000 0.444 84 S N 0.392 116.103 115.700 0.017 0.000 2.603 84 S HA -0.050 4.419 4.470 -0.001 0.000 0.229 84 S C 0.295 174.969 174.600 0.124 0.000 0.972 84 S CA -0.151 58.078 58.200 0.048 0.000 0.935 84 S CB -0.401 62.816 63.200 0.029 0.000 0.769 84 S HN 0.225 nan 8.310 nan 0.000 0.536 85 F N 2.936 122.892 119.950 0.009 0.000 2.385 85 F HA 0.523 5.049 4.527 -0.001 0.000 0.360 85 F C -0.611 175.219 175.800 0.051 0.000 1.122 85 F CA -1.399 56.632 58.000 0.052 0.000 1.090 85 F CB 0.988 40.044 39.000 0.094 0.000 1.150 85 F HN -0.039 nan 8.300 nan 0.000 0.472 86 D N 8.818 128.849 120.400 -0.615 0.000 2.453 86 D HA 0.327 4.967 4.640 -0.001 0.000 0.238 86 D C -2.106 173.741 176.300 -0.755 0.000 1.088 86 D CA -2.368 51.316 54.000 -0.526 0.000 0.854 86 D CB 2.252 42.908 40.800 -0.241 0.000 1.076 86 D HN 0.239 nan 8.370 nan 0.000 0.533 87 P HA -0.089 nan 4.420 nan 0.000 0.216 87 P C 0.148 177.298 177.300 -0.250 0.000 1.150 87 P CA 1.155 63.965 63.100 -0.484 0.000 0.843 87 P CB 0.334 31.903 31.700 -0.218 0.000 0.787 88 N N -1.881 116.706 118.700 -0.188 0.000 2.251 88 N HA 0.240 4.980 4.740 -0.001 0.000 0.217 88 N C 0.776 176.228 175.510 -0.095 0.000 1.124 88 N CA 0.191 53.177 53.050 -0.107 0.000 0.843 88 N CB 0.548 38.993 38.487 -0.070 0.000 1.024 88 N HN 0.128 nan 8.380 nan 0.000 0.501 89 G N -0.745 107.975 108.800 -0.133 0.000 3.321 89 G HA2 0.138 4.097 3.960 -0.001 0.000 0.169 89 G HA3 0.138 4.097 3.960 -0.001 0.000 0.169 89 G C -1.094 173.749 174.900 -0.095 0.000 1.153 89 G CA -0.432 44.612 45.100 -0.093 0.000 1.007 89 G HN -0.083 nan 8.290 nan 0.000 0.668 90 E N 1.280 121.432 120.200 -0.079 0.000 2.265 90 E HA 0.224 4.573 4.350 -0.001 0.000 0.272 90 E C 0.884 177.439 176.600 -0.076 0.000 1.067 90 E CA -0.107 56.264 56.400 -0.048 0.000 0.900 90 E CB 1.597 31.284 29.700 -0.021 0.000 1.017 90 E HN 0.400 nan 8.360 nan 0.000 0.431 91 R N 2.109 122.596 120.500 -0.021 0.000 2.246 91 R HA 0.028 4.367 4.340 -0.001 0.000 0.199 91 R C -0.061 176.372 176.300 0.223 0.000 0.984 91 R CA -0.189 55.951 56.100 0.067 0.000 1.015 91 R CB 0.074 30.493 30.300 0.198 0.000 0.930 91 R HN 0.450 nan 8.270 nan 0.000 0.475 92 N N 0.870 119.649 118.700 0.131 0.000 2.689 92 N HA -0.132 4.607 4.740 -0.001 0.000 0.263 92 N C -2.170 173.440 175.510 0.166 0.000 0.987 92 N CA 0.424 53.549 53.050 0.125 0.000 0.782 92 N CB -0.598 37.948 38.487 0.098 0.000 0.903 92 N HN 0.208 nan 8.380 nan 0.000 0.547 93 P HA -0.207 nan 4.420 nan 0.000 0.216 93 P C 1.748 179.143 177.300 0.159 0.000 1.150 93 P CA 1.253 64.466 63.100 0.188 0.000 0.843 93 P CB 0.120 31.920 31.700 0.167 0.000 0.787 94 Q N -0.131 119.740 119.800 0.120 0.000 2.500 94 Q HA -0.100 4.239 4.340 -0.001 0.000 0.213 94 Q C 1.372 177.437 176.000 0.109 0.000 0.974 94 Q CA 1.322 57.189 55.803 0.107 0.000 0.918 94 Q CB -1.079 27.703 28.738 0.073 0.000 0.980 94 Q HN 0.341 nan 8.270 nan 0.000 0.505 95 L N 0.657 121.943 121.223 0.105 0.000 2.628 95 L HA 0.266 4.605 4.340 -0.001 0.000 0.229 95 L C 0.560 177.471 176.870 0.068 0.000 1.137 95 L CA -0.314 54.571 54.840 0.075 0.000 0.909 95 L CB 0.194 42.285 42.059 0.053 0.000 1.137 95 L HN -0.020 nan 8.230 nan 0.000 0.470 96 R N 0.732 121.307 120.500 0.126 0.000 2.449 96 R HA 0.233 4.572 4.340 -0.001 0.000 0.296 96 R C 1.122 177.498 176.300 0.126 0.000 1.047 96 R CA 0.752 56.934 56.100 0.137 0.000 1.018 96 R CB 0.318 30.770 30.300 0.254 0.000 0.962 96 R HN 0.295 nan 8.270 nan 0.000 0.428 97 G N 1.861 110.590 108.800 -0.118 0.000 2.159 97 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.256 97 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.256 97 G C 0.916 175.713 174.900 -0.172 0.000 0.977 97 G CA 0.292 45.149 45.100 -0.405 0.000 0.652 97 G HN 0.724 nan 8.290 nan 0.000 0.531 98 A N 0.160 122.935 122.820 -0.076 0.000 1.940 98 A HA 0.264 4.583 4.320 -0.001 0.000 0.219 98 A C 2.807 180.360 177.584 -0.051 0.000 1.176 98 A CA 2.361 54.378 52.037 -0.034 0.000 0.631 98 A CB -0.963 18.026 19.000 -0.019 0.000 0.814 98 A HN 1.645 nan 8.150 nan 0.000 0.446 99 G N -0.331 108.423 108.800 -0.077 0.000 2.440 99 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.218 99 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.218 99 G C 1.433 176.302 174.900 -0.051 0.000 1.154 99 G CA 1.193 46.270 45.100 -0.039 0.000 0.767 99 G HN 0.381 nan 8.290 nan 0.000 0.552 100 L N 1.311 122.457 121.223 -0.129 0.000 2.042 100 L HA -0.010 4.329 4.340 -0.001 0.000 0.210 100 L C 2.947 179.759 176.870 -0.097 0.000 1.076 100 L CA 1.905 56.649 54.840 -0.161 0.000 0.749 100 L CB -0.691 41.183 42.059 -0.308 0.000 0.893 100 L HN 0.182 nan 8.230 nan 0.000 0.432 101 S N -0.516 115.151 115.700 -0.055 0.000 2.469 101 S HA -0.130 4.340 4.470 -0.001 0.000 0.238 101 S C 1.285 175.882 174.600 -0.004 0.000 0.998 101 S CA 1.152 59.350 58.200 -0.005 0.000 0.957 101 S CB -0.285 62.934 63.200 0.031 0.000 0.764 101 S HN 0.613 nan 8.310 nan 0.000 0.514 102 K N 0.208 120.601 120.400 -0.011 0.000 2.537 102 K HA 0.351 4.670 4.320 -0.001 0.000 0.206 102 K C -0.540 176.063 176.600 0.005 0.000 1.041 102 K CA -0.276 56.013 56.287 0.003 0.000 1.090 102 K CB 0.237 32.742 32.500 0.009 0.000 0.833 102 K HN -0.151 nan 8.250 nan 0.000 0.493 103 Q N 1.291 121.085 119.800 -0.011 0.000 2.457 103 Q HA -0.199 4.140 4.340 -0.001 0.000 0.283 103 Q C -0.958 175.066 176.000 0.040 0.000 1.234 103 Q CA 1.506 57.308 55.803 -0.002 0.000 0.877 103 Q CB -1.671 27.069 28.738 0.002 0.000 1.250 103 Q HN 0.605 nan 8.270 nan 0.000 0.481 104 D N -2.358 118.073 120.400 0.050 0.000 2.846 104 D HA 0.243 4.883 4.640 -0.001 0.000 0.279 104 D C -2.122 174.261 176.300 0.138 0.000 1.222 104 D CA -1.764 52.301 54.000 0.109 0.000 0.769 104 D CB 0.842 41.694 40.800 0.087 0.000 1.299 104 D HN -0.117 nan 8.370 nan 0.000 0.537 105 P HA -0.129 nan 4.420 nan 0.000 0.215 105 P C 1.229 178.728 177.300 0.332 0.000 1.163 105 P CA 1.300 64.502 63.100 0.170 0.000 0.894 105 P CB 0.051 31.811 31.700 0.099 0.000 0.791 106 W N 0.279 121.733 121.300 0.257 0.000 2.350 106 W HA -0.137 4.523 4.660 -0.001 0.000 0.289 106 W C 2.668 179.243 176.519 0.092 0.000 1.215 106 W CA 1.727 59.097 57.345 0.042 0.000 1.236 106 W CB -1.557 27.827 29.460 -0.127 0.000 1.130 106 W HN 0.011 nan 8.180 nan 0.000 0.541 107 S N -0.659 115.210 115.700 0.282 0.000 2.469 107 S HA -0.200 4.269 4.470 -0.001 0.000 0.238 107 S C 1.327 175.969 174.600 0.070 0.000 0.998 107 S CA 1.599 59.889 58.200 0.150 0.000 0.957 107 S CB -0.387 62.872 63.200 0.099 0.000 0.764 107 S HN 0.142 nan 8.310 nan 0.000 0.514 108 D N 0.208 120.627 120.400 0.031 0.000 2.317 108 D HA 0.174 4.813 4.640 -0.001 0.000 0.211 108 D C -0.318 175.689 176.300 -0.490 0.000 0.966 108 D CA 0.615 54.459 54.000 -0.259 0.000 0.876 108 D CB 0.057 40.598 40.800 -0.432 0.000 0.927 108 D HN 0.538 nan 8.370 nan 0.000 0.519 109 Y N 0.100 120.436 120.300 0.060 0.000 2.549 109 Y HA 0.397 4.946 4.550 -0.001 0.000 0.339 109 Y C 0.389 176.332 175.900 0.073 0.000 1.053 109 Y CA -1.206 56.928 58.100 0.057 0.000 1.105 109 Y CB 1.295 39.772 38.460 0.029 0.000 1.258 109 Y HN -0.235 nan 8.280 nan 0.000 0.478 110 E N 0.546 120.882 120.200 0.227 0.000 2.317 110 E HA 0.508 4.858 4.350 -0.001 0.000 0.270 110 E C -1.263 175.409 176.600 0.120 0.000 0.885 110 E CA -1.389 55.093 56.400 0.135 0.000 0.760 110 E CB 2.314 32.056 29.700 0.070 0.000 1.227 110 E HN 0.585 nan 8.360 nan 0.000 0.434 111 R N 2.539 123.047 120.500 0.014 0.000 2.490 111 R HA 0.406 4.745 4.340 -0.001 0.000 0.280 111 R C -0.223 175.995 176.300 -0.136 0.000 1.077 111 R CA -0.163 55.842 56.100 -0.160 0.000 1.065 111 R CB 0.386 30.296 30.300 -0.650 0.000 1.003 111 R HN 0.703 nan 8.270 nan 0.000 0.470 112 I N -0.357 120.136 120.570 -0.128 0.000 3.095 112 I HA 0.440 4.609 4.170 -0.001 0.000 0.310 112 I C -0.427 175.612 176.117 -0.130 0.000 1.196 112 I CA -1.212 60.032 61.300 -0.095 0.000 0.985 112 I CB 2.248 40.227 38.000 -0.034 0.000 1.250 112 I HN 0.686 nan 8.210 nan 0.000 0.446 113 S N 1.272 116.925 115.700 -0.077 0.000 2.614 113 S HA 0.246 4.715 4.470 -0.001 0.000 0.265 113 S C 0.274 174.853 174.600 -0.035 0.000 1.303 113 S CA -0.346 57.832 58.200 -0.038 0.000 1.000 113 S CB 0.792 64.006 63.200 0.023 0.000 0.935 113 S HN 0.874 nan 8.310 nan 0.000 0.551 114 W N 0.594 121.884 121.300 -0.016 0.000 2.358 114 W HA -0.040 4.619 4.660 -0.001 0.000 0.303 114 W C 2.230 178.710 176.519 -0.064 0.000 1.208 114 W CA 1.438 58.757 57.345 -0.043 0.000 1.274 114 W CB -0.358 29.071 29.460 -0.052 0.000 1.138 114 W HN 0.909 nan 8.180 nan 0.000 0.515 115 D N 0.038 120.557 120.400 0.199 0.000 2.104 115 D HA -0.249 4.391 4.640 -0.001 0.000 0.194 115 D C 1.922 178.264 176.300 0.070 0.000 0.994 115 D CA 1.738 55.800 54.000 0.103 0.000 0.830 115 D CB -0.192 40.654 40.800 0.077 0.000 0.959 115 D HN 0.178 nan 8.370 nan 0.000 0.452 116 E N -0.794 119.440 120.200 0.056 0.000 2.107 116 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 116 E C 1.980 178.613 176.600 0.055 0.000 0.982 116 E CA 0.728 57.156 56.400 0.046 0.000 0.809 116 E CB -0.094 29.623 29.700 0.029 0.000 0.756 116 E HN 0.315 nan 8.360 nan 0.000 0.459 117 A N 0.705 123.543 122.820 0.030 0.000 1.877 117 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 117 A C 2.430 180.074 177.584 0.101 0.000 1.186 117 A CA 2.374 54.431 52.037 0.033 0.000 0.620 117 A CB -1.180 17.758 19.000 -0.104 0.000 0.822 117 A HN 0.485 nan 8.150 nan 0.000 0.443 118 T N -2.380 112.211 114.554 0.062 0.000 2.867 118 T HA -0.130 4.219 4.350 -0.001 0.000 0.268 118 T C 1.366 176.151 174.700 0.142 0.000 1.057 118 T CA 1.450 63.553 62.100 0.005 0.000 1.136 118 T CB -0.426 68.253 68.868 -0.315 0.000 0.874 118 T HN 0.346 nan 8.240 nan 0.000 0.466 119 D N 1.347 121.807 120.400 0.101 0.000 2.117 119 D HA 0.045 4.684 4.640 -0.001 0.000 0.197 119 D C 2.093 178.462 176.300 0.114 0.000 0.987 119 D CA 0.763 54.826 54.000 0.105 0.000 0.829 119 D CB -0.267 40.576 40.800 0.072 0.000 0.961 119 D HN 0.430 nan 8.370 nan 0.000 0.460 120 I N 0.425 121.064 120.570 0.115 0.000 2.179 120 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 120 I C 2.403 178.562 176.117 0.070 0.000 1.088 120 I CA 0.604 61.957 61.300 0.088 0.000 1.357 120 I CB -0.118 37.968 38.000 0.143 0.000 1.051 120 I HN -0.110 nan 8.210 nan 0.000 0.409 121 V N 0.350 120.401 119.914 0.228 0.000 2.343 121 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 121 V C 2.437 178.671 176.094 0.234 0.000 1.051 121 V CA 1.438 63.917 62.300 0.299 0.000 1.036 121 V CB -0.391 31.648 31.823 0.361 0.000 0.654 121 V HN 0.230 nan 8.190 nan 0.000 0.451 122 V N 0.389 120.484 119.914 0.302 0.000 2.343 122 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 122 V C 2.718 178.896 176.094 0.141 0.000 1.051 122 V CA 2.035 64.490 62.300 0.259 0.000 1.036 122 V CB -1.113 30.875 31.823 0.274 0.000 0.654 122 V HN 0.565 nan 8.190 nan 0.000 0.451 123 A N -0.632 122.241 122.820 0.089 0.000 1.933 123 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 123 A C 2.215 179.806 177.584 0.012 0.000 1.175 123 A CA 1.643 53.704 52.037 0.040 0.000 0.628 123 A CB -0.359 18.649 19.000 0.013 0.000 0.814 123 A HN 0.528 nan 8.150 nan 0.000 0.444 124 E N -0.037 120.136 120.200 -0.046 0.000 2.046 124 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 124 E C 2.038 178.695 176.600 0.095 0.000 0.982 124 E CA 0.930 57.292 56.400 -0.064 0.000 0.800 124 E CB -0.411 29.077 29.700 -0.353 0.000 0.756 124 E HN 0.718 nan 8.360 nan 0.000 0.449 125 I N 1.837 122.491 120.570 0.141 0.000 2.127 125 I HA -0.303 3.866 4.170 -0.001 0.000 0.241 125 I C 1.967 178.153 176.117 0.114 0.000 1.075 125 I CA 1.061 62.467 61.300 0.176 0.000 1.334 125 I CB -0.341 37.779 38.000 0.200 0.000 1.040 125 I HN 0.046 nan 8.210 nan 0.000 0.405 126 N N 0.566 119.308 118.700 0.070 0.000 2.188 126 N HA -0.186 4.553 4.740 -0.001 0.000 0.184 126 N C 1.852 177.365 175.510 0.005 0.000 1.018 126 N CA 1.047 54.091 53.050 -0.010 0.000 0.858 126 N CB -0.450 38.029 38.487 -0.013 0.000 0.989 126 N HN 0.335 nan 8.380 nan 0.000 0.426 127 R N 0.923 121.461 120.500 0.064 0.000 2.073 127 R HA 0.025 4.364 4.340 -0.001 0.000 0.234 127 R C 2.111 178.487 176.300 0.127 0.000 1.134 127 R CA 1.012 57.166 56.100 0.091 0.000 0.952 127 R CB -0.271 30.079 30.300 0.084 0.000 0.850 127 R HN 0.150 nan 8.270 nan 0.000 0.433 128 I N 0.908 121.586 120.570 0.180 0.000 2.226 128 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 128 I C 2.279 178.544 176.117 0.247 0.000 1.100 128 I CA 1.400 62.875 61.300 0.292 0.000 1.374 128 I CB -0.213 37.980 38.000 0.323 0.000 1.057 128 I HN 0.213 nan 8.210 nan 0.000 0.413 129 K N -0.171 120.327 120.400 0.163 0.000 2.057 129 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 129 K C 1.984 178.678 176.600 0.156 0.000 1.049 129 K CA 1.467 57.832 56.287 0.131 0.000 0.931 129 K CB -0.271 32.252 32.500 0.038 0.000 0.714 129 K HN 0.491 nan 8.250 nan 0.000 0.440 130 H N -1.128 117.974 119.070 0.052 0.000 2.529 130 H HA 0.054 4.609 4.556 -0.001 0.000 0.277 130 H C 1.751 177.041 175.328 -0.062 0.000 0.999 130 H CA 0.372 56.424 56.048 0.006 0.000 1.256 130 H CB 0.409 30.175 29.762 0.007 0.000 1.402 130 H HN 0.246 nan 8.280 nan 0.000 0.566 131 A N -0.251 122.560 122.820 -0.014 0.000 1.973 131 A HA 0.012 4.332 4.320 -0.001 0.000 0.210 131 A C 1.013 178.291 177.584 -0.509 0.000 1.200 131 A CA 0.518 52.343 52.037 -0.354 0.000 0.707 131 A CB 0.090 18.728 19.000 -0.604 0.000 0.862 131 A HN 0.309 nan 8.150 nan 0.000 0.461 132 Y N -1.335 119.037 120.300 0.120 0.000 2.452 132 Y HA 0.459 5.008 4.550 -0.001 0.000 0.262 132 Y C 1.207 177.182 175.900 0.125 0.000 1.089 132 Y CA -0.099 58.070 58.100 0.114 0.000 1.262 132 Y CB 0.435 38.969 38.460 0.123 0.000 1.236 132 Y HN 0.517 nan 8.280 nan 0.000 0.512 133 G N 0.915 109.873 108.800 0.263 0.000 2.570 133 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.686 133 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.686 133 G C -2.243 172.795 174.900 0.230 0.000 1.257 133 G CA -0.530 44.702 45.100 0.218 0.000 0.846 133 G HN -0.102 nan 8.290 nan 0.000 0.627 134 P HA -0.116 nan 4.420 nan 0.000 0.220 134 P C 1.968 179.392 177.300 0.207 0.000 1.148 134 P CA 2.144 65.357 63.100 0.190 0.000 0.803 134 P CB -0.139 31.649 31.700 0.147 0.000 0.782 135 S N 0.100 115.932 115.700 0.221 0.000 2.442 135 S HA -0.029 4.440 4.470 -0.001 0.000 0.236 135 S C 2.085 176.806 174.600 0.201 0.000 1.007 135 S CA 0.899 59.211 58.200 0.187 0.000 0.965 135 S CB -1.191 62.180 63.200 0.284 0.000 0.773 135 S HN 0.153 nan 8.310 nan 0.000 0.504 136 A N 0.855 123.812 122.820 0.228 0.000 2.206 136 A HA 0.396 4.715 4.320 -0.001 0.000 0.211 136 A C 0.895 178.605 177.584 0.211 0.000 1.158 136 A CA 0.130 52.286 52.037 0.199 0.000 0.761 136 A CB -0.508 18.621 19.000 0.215 0.000 0.801 136 A HN 0.627 nan 8.150 nan 0.000 0.473 137 I N 1.217 121.937 120.570 0.250 0.000 2.307 137 I HA 0.230 4.399 4.170 -0.001 0.000 0.287 137 I C -0.439 175.881 176.117 0.337 0.000 1.054 137 I CA -0.586 60.900 61.300 0.309 0.000 1.218 137 I CB 1.103 39.308 38.000 0.341 0.000 1.398 137 I HN 0.159 nan 8.210 nan 0.000 0.475 138 L N 6.405 127.804 121.223 0.294 0.000 2.350 138 L HA 0.560 4.900 4.340 -0.001 0.000 0.275 138 L C -0.014 177.182 176.870 0.543 0.000 1.099 138 L CA 0.732 55.725 54.840 0.254 0.000 0.808 138 L CB 1.448 43.426 42.059 -0.134 0.000 1.149 138 L HN 0.581 nan 8.230 nan 0.000 0.442 139 S N 2.502 118.574 115.700 0.621 0.000 2.537 139 S HA 0.768 5.237 4.470 -0.001 0.000 0.270 139 S C -1.126 173.915 174.600 0.734 0.000 1.142 139 S CA -0.284 58.352 58.200 0.727 0.000 0.870 139 S CB 1.417 64.903 63.200 0.477 0.000 1.112 139 S HN 0.957 nan 8.310 nan 0.000 0.466 140 T N 4.206 119.142 114.554 0.637 0.000 3.393 140 T HA 0.544 4.893 4.350 -0.001 0.000 0.359 140 T C -2.924 171.911 174.700 0.226 0.000 1.380 140 T CA -0.801 61.564 62.100 0.441 0.000 1.132 140 T CB 1.671 70.747 68.868 0.347 0.000 1.284 140 T HN 0.446 nan 8.240 nan 0.000 0.477 141 P HA 0.637 nan 4.420 nan 0.000 0.333 141 P C -0.345 177.007 177.300 0.086 0.000 1.370 141 P CA -0.208 62.827 63.100 -0.108 0.000 0.851 141 P CB 0.920 32.196 31.700 -0.708 0.000 2.082 142 S N -2.932 112.799 115.700 0.051 0.000 2.776 142 S HA 0.350 4.819 4.470 -0.001 0.000 0.292 142 S C 1.352 175.885 174.600 -0.112 0.000 1.187 142 S CA -0.279 57.879 58.200 -0.070 0.000 0.834 142 S CB 0.474 63.648 63.200 -0.044 0.000 1.199 142 S HN 0.244 nan 8.310 nan 0.000 0.514 143 S N 1.029 116.562 115.700 -0.279 0.000 2.359 143 S HA -0.055 4.415 4.470 -0.001 0.000 0.223 143 S C 0.583 174.964 174.600 -0.364 0.000 1.039 143 S CA 1.305 59.366 58.200 -0.231 0.000 1.042 143 S CB -0.462 62.594 63.200 -0.239 0.000 0.915 143 S HN 0.629 nan 8.310 nan 0.000 0.439 144 H N -0.535 118.651 119.070 0.193 0.000 2.630 144 H HA 0.572 5.127 4.556 -0.001 0.000 0.343 144 H C -0.120 175.333 175.328 0.208 0.000 1.232 144 H CA -0.285 55.940 56.048 0.295 0.000 1.294 144 H CB 1.200 31.185 29.762 0.372 0.000 1.746 144 H HN 0.270 nan 8.280 nan 0.000 0.593 145 H N 0.506 119.663 119.070 0.146 0.000 3.003 145 H HA 0.090 4.645 4.556 -0.001 0.000 0.327 145 H C -0.608 174.781 175.328 0.102 0.000 1.353 145 H CA -0.654 55.345 56.048 -0.081 0.000 1.142 145 H CB 1.608 30.935 29.762 -0.726 0.000 1.864 145 H HN 0.367 nan 8.280 nan 0.000 0.529 146 M N 1.632 121.190 119.600 -0.070 0.000 2.250 146 M HA -0.119 4.360 4.480 -0.001 0.000 0.337 146 M C 0.746 177.310 176.300 0.441 0.000 1.161 146 M CA 0.571 55.984 55.300 0.189 0.000 1.088 146 M CB -0.277 32.361 32.600 0.063 0.000 1.639 146 M HN 0.418 nan 8.290 nan 0.000 0.447 147 W N 2.100 123.504 121.300 0.174 0.000 2.158 147 W HA 0.378 5.037 4.660 -0.001 0.000 0.339 147 W C 0.223 176.854 176.519 0.186 0.000 1.294 147 W CA 0.552 58.010 57.345 0.188 0.000 1.231 147 W CB 1.093 30.586 29.460 0.055 0.000 1.143 147 W HN 0.760 nan 8.180 nan 0.000 0.571 148 G N 3.658 112.351 108.800 -0.178 0.000 2.677 148 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.321 148 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.321 148 G C -0.127 174.702 174.900 -0.118 0.000 1.449 148 G CA -0.717 44.327 45.100 -0.093 0.000 1.064 148 G HN 0.504 nan 8.290 nan 0.000 0.627 149 N N 0.472 119.028 118.700 -0.239 0.000 2.084 149 N HA -0.100 4.639 4.740 -0.001 0.000 0.190 149 N C 2.597 178.015 175.510 -0.153 0.000 1.030 149 N CA 1.602 54.506 53.050 -0.245 0.000 0.849 149 N CB -0.075 38.187 38.487 -0.375 0.000 1.012 149 N HN 0.452 nan 8.380 nan 0.000 0.423 150 V N 0.046 119.832 119.914 -0.214 0.000 2.358 150 V HA -0.090 4.029 4.120 -0.001 0.000 0.246 150 V C 2.063 178.170 176.094 0.022 0.000 1.047 150 V CA 1.972 64.206 62.300 -0.110 0.000 1.035 150 V CB -0.967 30.791 31.823 -0.109 0.000 0.658 150 V HN 0.418 nan 8.190 nan 0.000 0.452 151 G N -2.599 106.251 108.800 0.084 0.000 2.985 151 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.209 151 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.209 151 G C 0.379 175.365 174.900 0.143 0.000 1.165 151 G CA -0.255 44.953 45.100 0.180 0.000 0.776 151 G HN 0.432 nan 8.290 nan 0.000 0.541 152 Y N 1.779 122.016 120.300 -0.105 0.000 2.550 152 Y HA 0.082 4.631 4.550 -0.001 0.000 0.343 152 Y C 2.389 178.029 175.900 -0.433 0.000 1.245 152 Y CA -0.075 57.782 58.100 -0.404 0.000 1.462 152 Y CB 0.806 39.108 38.460 -0.263 0.000 1.340 152 Y HN 0.232 nan 8.280 nan 0.000 0.604 153 R N 0.881 120.829 120.500 -0.920 0.000 2.139 153 R HA -0.242 4.097 4.340 -0.001 0.000 0.243 153 R C 0.965 176.961 176.300 -0.508 0.000 1.145 153 R CA 2.352 58.019 56.100 -0.722 0.000 0.976 153 R CB -0.816 28.893 30.300 -0.985 0.000 0.866 153 R HN 0.773 nan 8.270 nan 0.000 0.449 154 H N -0.031 118.961 119.070 -0.131 0.000 2.546 154 H HA 0.082 4.638 4.556 -0.001 0.000 0.277 154 H C 1.884 177.321 175.328 0.182 0.000 1.004 154 H CA 1.253 57.322 56.048 0.036 0.000 1.231 154 H CB 0.336 30.271 29.762 0.289 0.000 1.382 154 H HN 0.313 nan 8.280 nan 0.000 0.580 155 S N -1.266 114.566 115.700 0.220 0.000 2.826 155 S HA -0.032 4.437 4.470 -0.001 0.000 0.193 155 S C 2.102 176.792 174.600 0.150 0.000 0.838 155 S CA 0.707 59.025 58.200 0.196 0.000 0.844 155 S CB -0.351 62.946 63.200 0.162 0.000 0.816 155 S HN 0.312 nan 8.310 nan 0.000 0.626 156 T N 1.203 115.854 114.554 0.161 0.000 2.674 156 T HA -0.072 4.278 4.350 -0.001 0.000 0.265 156 T C 1.572 176.412 174.700 0.233 0.000 1.039 156 T CA 1.851 64.121 62.100 0.283 0.000 1.150 156 T CB -0.713 68.419 68.868 0.440 0.000 0.864 156 T HN 0.516 nan 8.240 nan 0.000 0.427 157 Y N 0.989 121.276 120.300 -0.023 0.000 2.081 157 Y HA -0.196 4.353 4.550 -0.001 0.000 0.280 157 Y C 1.983 177.703 175.900 -0.299 0.000 1.163 157 Y CA 1.361 59.287 58.100 -0.290 0.000 1.135 157 Y CB -0.714 37.381 38.460 -0.609 0.000 0.970 157 Y HN 0.282 nan 8.280 nan 0.000 0.498 158 F N -0.167 119.671 119.950 -0.186 0.000 2.171 158 F HA -0.200 4.326 4.527 -0.001 0.000 0.300 158 F C 2.794 178.457 175.800 -0.228 0.000 1.090 158 F CA 1.009 58.842 58.000 -0.278 0.000 1.293 158 F CB -0.301 38.644 39.000 -0.091 0.000 1.013 158 F HN -0.010 nan 8.300 nan 0.000 0.486 159 R N 0.108 120.678 120.500 0.117 0.000 2.091 159 R HA -0.236 4.103 4.340 -0.001 0.000 0.238 159 R C 2.192 178.573 176.300 0.135 0.000 1.136 159 R CA 1.845 58.019 56.100 0.123 0.000 0.959 159 R CB -0.514 29.869 30.300 0.138 0.000 0.856 159 R HN 0.312 nan 8.270 nan 0.000 0.437 160 F N 0.466 120.341 119.950 -0.126 0.000 2.118 160 F HA -0.099 4.427 4.527 -0.001 0.000 0.293 160 F C 2.076 177.511 175.800 -0.609 0.000 1.102 160 F CA 1.139 58.850 58.000 -0.481 0.000 1.247 160 F CB -0.139 38.147 39.000 -1.190 0.000 1.017 160 F HN -0.075 nan 8.300 nan 0.000 0.475 161 M N 0.766 119.814 119.600 -0.920 0.000 2.149 161 M HA -0.256 4.223 4.480 -0.001 0.000 0.261 161 M C 1.766 177.675 176.300 -0.650 0.000 1.064 161 M CA 1.637 56.249 55.300 -1.146 0.000 1.102 161 M CB -1.912 29.603 32.600 -1.809 0.000 1.369 161 M HN 0.348 nan 8.290 nan 0.000 0.408 162 N N -0.293 118.206 118.700 -0.335 0.000 2.364 162 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 162 N C 1.471 176.892 175.510 -0.148 0.000 1.022 162 N CA 0.839 53.834 53.050 -0.092 0.000 0.883 162 N CB -0.056 38.375 38.487 -0.094 0.000 0.965 162 N HN 0.397 nan 8.380 nan 0.000 0.438 163 M N -0.591 118.835 119.600 -0.290 0.000 2.502 163 M HA 0.126 4.606 4.480 -0.001 0.000 0.243 163 M C 1.692 177.792 176.300 -0.333 0.000 1.130 163 M CA 0.352 55.498 55.300 -0.256 0.000 1.055 163 M CB 0.400 32.867 32.600 -0.222 0.000 1.457 163 M HN 0.227 nan 8.290 nan 0.000 0.488 164 M N -0.450 118.865 119.600 -0.474 0.000 3.058 164 M HA 0.263 4.743 4.480 -0.001 0.000 0.242 164 M C 1.037 177.266 176.300 -0.120 0.000 1.512 164 M CA 1.199 56.263 55.300 -0.393 0.000 1.274 164 M CB 0.016 32.175 32.600 -0.735 0.000 1.179 164 M HN 0.154 nan 8.290 nan 0.000 0.573 165 G N -0.206 108.583 108.800 -0.019 0.000 3.356 165 G HA2 0.584 4.544 3.960 -0.001 0.000 0.178 165 G HA3 0.584 4.544 3.960 -0.001 0.000 0.178 165 G C -0.918 174.152 174.900 0.283 0.000 1.175 165 G CA -0.076 45.152 45.100 0.214 0.000 0.840 165 G HN 0.530 nan 8.290 nan 0.000 0.658 166 F N -3.053 116.877 119.950 -0.033 0.000 2.878 166 F HA 0.591 5.117 4.527 -0.001 0.000 0.322 166 F C -1.209 174.620 175.800 0.049 0.000 1.154 166 F CA -1.145 56.870 58.000 0.025 0.000 0.896 166 F CB 1.174 40.175 39.000 0.002 0.000 1.313 166 F HN 0.403 nan 8.300 nan 0.000 0.451 167 T N 2.063 116.617 114.554 0.001 0.000 2.749 167 T HA 0.296 4.646 4.350 -0.001 0.000 0.287 167 T C -1.523 173.197 174.700 0.034 0.000 0.970 167 T CA -0.185 61.850 62.100 -0.109 0.000 0.980 167 T CB 0.287 69.167 68.868 0.019 0.000 0.924 167 T HN 0.551 nan 8.240 nan 0.000 0.456 168 Y N 2.940 123.066 120.300 -0.290 0.000 2.308 168 Y HA 0.516 5.065 4.550 -0.001 0.000 0.329 168 Y C 0.125 176.066 175.900 0.069 0.000 1.111 168 Y CA -1.885 56.230 58.100 0.026 0.000 1.179 168 Y CB 0.713 39.137 38.460 -0.060 0.000 1.201 168 Y HN 0.674 nan 8.280 nan 0.000 0.483 169 A N 5.909 128.580 122.820 -0.247 0.000 2.923 169 A HA 0.167 4.486 4.320 -0.001 0.000 0.306 169 A C -0.181 177.039 177.584 -0.606 0.000 1.542 169 A CA -0.575 51.285 52.037 -0.296 0.000 1.225 169 A CB -0.898 18.015 19.000 -0.144 0.000 1.147 169 A HN 0.763 nan 8.150 nan 0.000 0.542 170 D N 1.591 121.694 120.400 -0.495 0.000 2.525 170 D HA -0.015 4.625 4.640 -0.001 0.000 0.235 170 D C 0.059 176.261 176.300 -0.163 0.000 1.137 170 D CA 0.732 54.460 54.000 -0.452 0.000 0.868 170 D CB 0.382 41.126 40.800 -0.094 0.000 1.180 170 D HN 0.534 nan 8.370 nan 0.000 0.465 171 H N 2.514 121.486 119.070 -0.163 0.000 2.683 171 H HA 0.103 4.658 4.556 -0.001 0.000 0.339 171 H C 0.608 176.066 175.328 0.217 0.000 1.081 171 H CA -0.404 55.643 56.048 -0.003 0.000 1.432 171 H CB 0.307 30.082 29.762 0.022 0.000 1.462 171 H HN 0.392 nan 8.280 nan 0.000 0.557 172 N N 4.004 122.916 118.700 0.353 0.000 2.482 172 N HA 0.044 4.783 4.740 -0.001 0.000 0.260 172 N C -2.508 173.248 175.510 0.410 0.000 1.236 172 N CA -1.583 51.684 53.050 0.362 0.000 0.938 172 N CB 0.824 39.488 38.487 0.296 0.000 1.128 172 N HN 0.306 nan 8.380 nan 0.000 0.448 173 P HA 0.039 nan 4.420 nan 0.000 0.231 173 P C -0.163 177.265 177.300 0.213 0.000 1.756 173 P CA -0.197 62.804 63.100 -0.164 0.000 0.990 173 P CB -0.305 30.931 31.700 -0.772 0.000 1.973 174 D N 0.312 120.851 120.400 0.231 0.000 2.160 174 D HA -0.254 4.386 4.640 -0.001 0.000 0.189 174 D C 1.551 177.859 176.300 0.013 0.000 1.003 174 D CA 1.815 55.890 54.000 0.126 0.000 0.846 174 D CB -1.395 39.435 40.800 0.050 0.000 0.949 174 D HN 0.124 nan 8.370 nan 0.000 0.446 175 S N -0.912 114.654 115.700 -0.223 0.000 2.383 175 S HA -0.130 4.339 4.470 -0.001 0.000 0.229 175 S C 1.501 175.703 174.600 -0.664 0.000 1.030 175 S CA 1.224 58.877 58.200 -0.911 0.000 1.002 175 S CB -0.430 61.601 63.200 -1.949 0.000 0.829 175 S HN 0.470 nan 8.310 nan 0.000 0.467 176 W N 1.343 122.621 121.300 -0.036 0.000 3.177 176 W HA 0.218 4.878 4.660 -0.001 0.000 0.309 176 W C 1.324 178.045 176.519 0.336 0.000 1.224 176 W CA -0.494 57.023 57.345 0.286 0.000 1.718 176 W CB -0.321 29.259 29.460 0.200 0.000 1.078 176 W HN 0.243 nan 8.180 nan 0.000 0.618 177 E N 0.904 121.383 120.200 0.465 0.000 2.504 177 E HA -0.305 4.044 4.350 -0.001 0.000 0.252 177 E C 2.179 179.099 176.600 0.534 0.000 1.018 177 E CA 2.444 59.151 56.400 0.512 0.000 1.151 177 E CB -1.402 28.521 29.700 0.372 0.000 1.081 177 E HN 0.312 nan 8.360 nan 0.000 0.509 178 G N -0.089 108.911 108.800 0.333 0.000 2.469 178 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.219 178 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.219 178 G C 1.452 176.391 174.900 0.065 0.000 1.150 178 G CA 1.210 46.389 45.100 0.132 0.000 0.763 178 G HN 0.334 nan 8.290 nan 0.000 0.561 179 W N -0.445 120.989 121.300 0.223 0.000 2.388 179 W HA 0.063 4.723 4.660 -0.001 0.000 0.294 179 W C 2.445 179.031 176.519 0.112 0.000 1.212 179 W CA 0.842 58.271 57.345 0.139 0.000 1.271 179 W CB -0.442 29.155 29.460 0.228 0.000 1.126 179 W HN 0.273 nan 8.180 nan 0.000 0.535 180 H N -1.223 118.002 119.070 0.258 0.000 2.307 180 H HA -0.155 4.400 4.556 -0.001 0.000 0.303 180 H C 1.274 176.495 175.328 -0.177 0.000 1.073 180 H CA 2.065 58.060 56.048 -0.089 0.000 1.338 180 H CB -0.826 28.758 29.762 -0.297 0.000 1.389 180 H HN 0.212 nan 8.280 nan 0.000 0.503 181 W N 0.303 121.788 121.300 0.308 0.000 2.905 181 W HA 0.210 4.869 4.660 -0.001 0.000 0.251 181 W C 2.219 178.870 176.519 0.219 0.000 1.305 181 W CA 0.505 58.002 57.345 0.252 0.000 1.465 181 W CB 0.235 29.873 29.460 0.297 0.000 1.122 181 W HN 0.298 nan 8.180 nan 0.000 0.659 182 G N -0.796 108.181 108.800 0.296 0.000 2.639 182 G HA2 0.117 4.077 3.960 -0.001 0.000 0.201 182 G HA3 0.117 4.077 3.960 -0.001 0.000 0.201 182 G C 1.607 176.520 174.900 0.022 0.000 1.260 182 G CA 0.361 45.574 45.100 0.188 0.000 0.749 182 G HN 0.154 nan 8.290 nan 0.000 0.611 183 G N 1.041 109.769 108.800 -0.120 0.000 2.469 183 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 183 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 183 G C 1.779 176.637 174.900 -0.069 0.000 1.136 183 G CA 1.296 46.252 45.100 -0.241 0.000 0.759 183 G HN 0.345 nan 8.290 nan 0.000 0.562 184 M N -0.064 119.521 119.600 -0.025 0.000 2.144 184 M HA -0.145 4.335 4.480 -0.001 0.000 0.260 184 M C 2.304 178.504 176.300 -0.167 0.000 1.067 184 M CA 1.431 56.671 55.300 -0.099 0.000 1.095 184 M CB -0.271 32.087 32.600 -0.404 0.000 1.365 184 M HN 0.325 nan 8.290 nan 0.000 0.406 185 H N -1.219 117.848 119.070 -0.005 0.000 2.495 185 H HA -0.094 4.462 4.556 -0.001 0.000 0.287 185 H C 1.887 177.214 175.328 -0.001 0.000 1.033 185 H CA 1.567 57.610 56.048 -0.007 0.000 1.307 185 H CB -0.306 29.452 29.762 -0.008 0.000 1.401 185 H HN 0.530 nan 8.280 nan 0.000 0.555 186 M N -0.022 119.600 119.600 0.036 0.000 2.325 186 M HA -0.053 4.426 4.480 -0.001 0.000 0.265 186 M C 0.918 177.258 176.300 0.067 0.000 1.094 186 M CA 1.091 56.353 55.300 -0.062 0.000 1.161 186 M CB 0.418 32.822 32.600 -0.327 0.000 1.358 186 M HN 0.296 nan 8.290 nan 0.000 0.446 187 W N -0.356 120.890 121.300 -0.090 0.000 2.055 187 W HA 0.628 5.287 4.660 -0.001 0.000 0.293 187 W C 0.257 176.707 176.519 -0.115 0.000 0.886 187 W CA -0.307 56.983 57.345 -0.093 0.000 1.384 187 W CB -1.197 28.232 29.460 -0.052 0.000 1.068 187 W HN 0.443 nan 8.180 nan 0.000 0.513 188 G N 2.026 110.947 108.800 0.203 0.000 2.527 188 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.262 188 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.262 188 G C 0.340 175.106 174.900 -0.224 0.000 1.153 188 G CA 0.686 45.736 45.100 -0.083 0.000 0.954 188 G HN 0.581 nan 8.290 nan 0.000 0.552 189 F N 0.659 120.151 119.950 -0.763 0.000 3.093 189 F HA -0.234 4.292 4.527 -0.001 0.000 0.287 189 F C 2.279 177.375 175.800 -1.174 0.000 0.882 189 F CA 1.695 58.781 58.000 -1.523 0.000 1.063 189 F CB -1.832 36.500 39.000 -1.113 0.000 1.097 189 F HN 1.327 nan 8.300 nan 0.000 0.604 190 S N -0.207 115.137 115.700 -0.593 0.000 2.383 190 S HA -0.261 4.209 4.470 -0.001 0.000 0.229 190 S C 1.632 176.106 174.600 -0.209 0.000 1.030 190 S CA 1.433 59.456 58.200 -0.296 0.000 1.002 190 S CB -0.900 62.221 63.200 -0.133 0.000 0.829 190 S HN 0.727 nan 8.310 nan 0.000 0.467 191 W N 1.409 122.703 121.300 -0.010 0.000 2.525 191 W HA 0.260 4.919 4.660 -0.001 0.000 0.259 191 W C 1.780 178.303 176.519 0.007 0.000 1.253 191 W CA 0.221 57.586 57.345 0.033 0.000 1.262 191 W CB -0.283 29.227 29.460 0.084 0.000 1.122 191 W HN 0.111 nan 8.180 nan 0.000 0.607 192 R N 0.810 120.981 120.500 -0.548 0.000 2.509 192 R HA 0.268 4.607 4.340 -0.001 0.000 0.300 192 R C 0.556 176.651 176.300 -0.341 0.000 0.985 192 R CA -0.165 55.719 56.100 -0.360 0.000 1.092 192 R CB -0.166 29.855 30.300 -0.465 0.000 1.237 192 R HN 0.189 nan 8.270 nan 0.000 0.546 193 L N 0.243 121.224 121.223 -0.404 0.000 3.737 193 L HA -0.320 4.019 4.340 -0.001 0.000 0.418 193 L C 0.826 177.611 176.870 -0.143 0.000 1.216 193 L CA 0.770 55.345 54.840 -0.441 0.000 0.915 193 L CB -1.904 39.490 42.059 -1.108 0.000 1.834 193 L HN 0.657 nan 8.230 nan 0.000 0.943 194 G N -2.330 106.417 108.800 -0.088 0.000 2.254 194 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.225 194 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.225 194 G C 0.287 175.324 174.900 0.229 0.000 1.003 194 G CA 0.218 45.451 45.100 0.223 0.000 0.622 194 G HN 0.391 nan 8.290 nan 0.000 0.507 195 N N 2.469 121.094 118.700 -0.126 0.000 2.503 195 N HA 0.505 5.244 4.740 -0.001 0.000 0.267 195 N C -2.227 172.734 175.510 -0.916 0.000 1.214 195 N CA -1.015 51.733 53.050 -0.503 0.000 0.959 195 N CB 1.317 39.501 38.487 -0.505 0.000 1.142 195 N HN 0.298 nan 8.380 nan 0.000 0.455 196 P HA 0.171 nan 4.420 nan 0.000 0.281 196 P C -0.560 176.207 177.300 -0.887 0.000 1.264 196 P CA -0.461 61.681 63.100 -1.597 0.000 0.824 196 P CB 1.120 32.192 31.700 -1.047 0.000 1.092 197 E N 0.994 120.833 120.200 -0.600 0.000 2.392 197 E HA 0.092 4.441 4.350 -0.001 0.000 0.256 197 E C 0.160 176.605 176.600 -0.258 0.000 1.145 197 E CA -0.503 55.764 56.400 -0.221 0.000 0.929 197 E CB 0.248 30.117 29.700 0.282 0.000 0.998 197 E HN 0.303 nan 8.360 nan 0.000 0.442 198 Q N 0.420 119.995 119.800 -0.375 0.000 2.073 198 Q HA 0.081 4.420 4.340 -0.001 0.000 0.215 198 Q C -0.874 174.993 176.000 -0.222 0.000 0.776 198 Q CA -0.280 55.374 55.803 -0.249 0.000 1.008 198 Q CB 0.273 28.869 28.738 -0.236 0.000 1.196 198 Q HN 0.549 nan 8.270 nan 0.000 0.458 199 Y N 2.417 122.635 120.300 -0.137 0.000 2.969 199 Y HA -0.181 4.368 4.550 -0.001 0.000 0.339 199 Y C 0.946 176.845 175.900 -0.001 0.000 1.272 199 Y CA 0.714 58.731 58.100 -0.138 0.000 1.577 199 Y CB 0.148 38.490 38.460 -0.196 0.000 1.234 199 Y HN 0.157 nan 8.280 nan 0.000 0.590 200 D N 1.501 122.058 120.400 0.262 0.000 2.882 200 D HA -0.260 4.379 4.640 -0.001 0.000 0.229 200 D C 0.813 177.049 176.300 -0.106 0.000 1.167 200 D CA 0.859 54.924 54.000 0.108 0.000 0.759 200 D CB -0.931 39.969 40.800 0.167 0.000 1.088 200 D HN 0.656 nan 8.370 nan 0.000 0.425 201 L N -0.550 120.516 121.223 -0.262 0.000 2.341 201 L HA -0.061 4.279 4.340 -0.001 0.000 0.214 201 L C 2.394 178.656 176.870 -1.014 0.000 1.115 201 L CA 0.124 54.572 54.840 -0.653 0.000 0.820 201 L CB -0.078 41.420 42.059 -0.934 0.000 0.944 201 L HN 0.140 nan 8.230 nan 0.000 0.452 202 L N 0.521 121.384 121.223 -0.600 0.000 1.994 202 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 202 L C 2.429 179.079 176.870 -0.366 0.000 1.071 202 L CA 2.087 56.681 54.840 -0.409 0.000 0.745 202 L CB -0.552 41.439 42.059 -0.114 0.000 0.892 202 L HN 0.302 nan 8.230 nan 0.000 0.431 203 E N -0.967 119.068 120.200 -0.275 0.000 2.110 203 E HA -0.304 4.046 4.350 -0.001 0.000 0.193 203 E C 1.890 178.363 176.600 -0.210 0.000 0.988 203 E CA 1.542 57.830 56.400 -0.186 0.000 0.804 203 E CB -0.224 29.402 29.700 -0.123 0.000 0.745 203 E HN 0.663 nan 8.360 nan 0.000 0.458 204 D N -0.700 119.555 120.400 -0.242 0.000 2.104 204 D HA -0.113 4.526 4.640 -0.001 0.000 0.194 204 D C 1.897 178.092 176.300 -0.176 0.000 0.994 204 D CA 1.775 55.702 54.000 -0.121 0.000 0.830 204 D CB -0.494 40.265 40.800 -0.068 0.000 0.959 204 D HN 0.298 nan 8.370 nan 0.000 0.452 205 G N 0.054 108.514 108.800 -0.567 0.000 2.402 205 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.216 205 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.216 205 G C 1.716 176.522 174.900 -0.156 0.000 1.162 205 G CA 0.436 45.186 45.100 -0.583 0.000 0.777 205 G HN 0.326 nan 8.290 nan 0.000 0.539 206 L N -0.271 120.856 121.223 -0.161 0.000 2.131 206 L HA -0.030 4.310 4.340 -0.001 0.000 0.210 206 L C 2.864 179.691 176.870 -0.072 0.000 1.092 206 L CA 1.121 55.902 54.840 -0.098 0.000 0.759 206 L CB -0.150 41.800 42.059 -0.181 0.000 0.903 206 L HN 0.194 nan 8.230 nan 0.000 0.435 207 K N -1.569 118.722 120.400 -0.182 0.000 2.211 207 K HA 0.002 4.321 4.320 -0.001 0.000 0.201 207 K C 1.587 177.965 176.600 -0.370 0.000 1.052 207 K CA 0.655 56.742 56.287 -0.333 0.000 0.973 207 K CB 0.213 32.350 32.500 -0.605 0.000 0.766 207 K HN 0.367 nan 8.250 nan 0.000 0.466 208 H N -1.039 118.096 119.070 0.108 0.000 3.058 208 H HA 0.279 4.834 4.556 -0.001 0.000 0.258 208 H C 0.235 175.705 175.328 0.237 0.000 1.015 208 H CA -0.150 55.992 56.048 0.157 0.000 1.210 208 H CB 0.302 30.160 29.762 0.160 0.000 1.481 208 H HN 0.021 nan 8.280 nan 0.000 0.492 209 A N 1.566 124.626 122.820 0.399 0.000 2.511 209 A HA 0.094 4.413 4.320 -0.001 0.000 0.242 209 A C 0.757 178.502 177.584 0.269 0.000 1.069 209 A CA 0.276 52.580 52.037 0.445 0.000 0.763 209 A CB 0.429 19.653 19.000 0.374 0.000 1.001 209 A HN 0.450 nan 8.150 nan 0.000 0.498 210 E N 0.750 121.090 120.200 0.233 0.000 2.441 210 E HA 0.247 4.596 4.350 -0.001 0.000 0.212 210 E C -0.053 176.624 176.600 0.127 0.000 0.840 210 E CA 0.208 56.697 56.400 0.148 0.000 1.143 210 E CB 0.607 30.378 29.700 0.118 0.000 1.153 210 E HN 0.790 nan 8.360 nan 0.000 0.539 211 M N 1.108 120.798 119.600 0.149 0.000 2.465 211 M HA 0.430 4.910 4.480 -0.001 0.000 0.284 211 M C -2.183 174.164 176.300 0.078 0.000 1.212 211 M CA -0.421 54.939 55.300 0.100 0.000 0.910 211 M CB 2.320 34.935 32.600 0.026 0.000 1.725 211 M HN -0.137 nan 8.290 nan 0.000 0.477 212 I N 4.006 124.600 120.570 0.039 0.000 2.499 212 I HA 0.437 4.607 4.170 -0.001 0.000 0.288 212 I C -1.085 174.772 176.117 -0.433 0.000 1.048 212 I CA -1.033 60.129 61.300 -0.229 0.000 1.062 212 I CB 2.236 40.006 38.000 -0.384 0.000 1.238 212 I HN 0.376 nan 8.210 nan 0.000 0.426 213 V N 6.641 126.223 119.914 -0.554 0.000 2.318 213 V HA 0.285 4.404 4.120 -0.001 0.000 0.271 213 V C -0.399 175.425 176.094 -0.449 0.000 1.030 213 V CA -0.362 61.656 62.300 -0.470 0.000 0.844 213 V CB 0.410 31.914 31.823 -0.531 0.000 1.015 213 V HN 0.380 nan 8.190 nan 0.000 0.460 214 F N 4.532 124.223 119.950 -0.431 0.000 2.405 214 F HA 0.289 4.815 4.527 -0.001 0.000 0.358 214 F C 0.187 175.977 175.800 -0.016 0.000 1.151 214 F CA -0.157 57.626 58.000 -0.360 0.000 1.161 214 F CB 0.489 38.922 39.000 -0.945 0.000 1.245 214 F HN 0.497 nan 8.300 nan 0.000 0.545 215 W N 4.102 125.512 121.300 0.184 0.000 2.329 215 W HA 0.278 4.937 4.660 -0.001 0.000 0.312 215 W C 0.640 177.394 176.519 0.391 0.000 1.054 215 W CA -1.223 56.330 57.345 0.346 0.000 1.245 215 W CB 1.410 31.154 29.460 0.474 0.000 1.255 215 W HN 0.505 nan 8.180 nan 0.000 0.436 216 S N 3.675 119.730 115.700 0.591 0.000 3.614 216 S HA -0.226 4.244 4.470 -0.001 0.000 0.360 216 S C -0.349 174.433 174.600 0.303 0.000 1.023 216 S CA 1.406 59.794 58.200 0.313 0.000 1.114 216 S CB -1.225 61.958 63.200 -0.028 0.000 0.907 216 S HN 0.582 nan 8.310 nan 0.000 0.470 217 S N 0.850 116.750 115.700 0.333 0.000 2.672 217 S HA 0.574 5.043 4.470 -0.001 0.000 0.291 217 S C -1.387 173.354 174.600 0.234 0.000 1.145 217 S CA -0.460 57.911 58.200 0.286 0.000 1.013 217 S CB 1.728 65.143 63.200 0.359 0.000 1.017 217 S HN 0.411 nan 8.310 nan 0.000 0.487 218 D N 5.261 125.738 120.400 0.128 0.000 2.513 218 D HA 0.403 5.042 4.640 -0.001 0.000 0.295 218 D C -1.960 174.342 176.300 0.003 0.000 1.202 218 D CA -2.009 52.023 54.000 0.053 0.000 0.849 218 D CB 1.401 42.234 40.800 0.055 0.000 1.116 218 D HN 0.227 nan 8.370 nan 0.000 0.502 219 P HA -0.162 nan 4.420 nan 0.000 0.216 219 P C 1.292 178.558 177.300 -0.057 0.000 1.154 219 P CA 1.005 64.069 63.100 -0.061 0.000 0.865 219 P CB 0.515 32.153 31.700 -0.104 0.000 0.789 220 E N -0.952 119.223 120.200 -0.041 0.000 2.051 220 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 220 E C 2.020 178.655 176.600 0.059 0.000 0.991 220 E CA 1.511 57.944 56.400 0.056 0.000 0.799 220 E CB -1.267 28.456 29.700 0.037 0.000 0.748 220 E HN 0.273 nan 8.360 nan 0.000 0.449 221 T N 1.872 116.432 114.554 0.009 0.000 2.732 221 T HA -0.047 4.302 4.350 -0.001 0.000 0.261 221 T C 1.592 176.225 174.700 -0.111 0.000 1.040 221 T CA 1.078 63.151 62.100 -0.045 0.000 1.145 221 T CB -0.111 68.771 68.868 0.023 0.000 0.866 221 T HN 0.149 nan 8.240 nan 0.000 0.427 222 N N 1.002 119.647 118.700 -0.090 0.000 2.395 222 N HA -0.036 4.703 4.740 -0.001 0.000 0.175 222 N C 1.289 176.723 175.510 -0.126 0.000 1.029 222 N CA 1.072 54.055 53.050 -0.111 0.000 0.897 222 N CB 0.030 38.461 38.487 -0.093 0.000 0.991 222 N HN 0.524 nan 8.380 nan 0.000 0.441 223 S N -1.111 114.510 115.700 -0.131 0.000 3.358 223 S HA -0.239 4.230 4.470 -0.001 0.000 0.309 223 S C 1.111 175.640 174.600 -0.120 0.000 1.247 223 S CA 2.032 60.144 58.200 -0.148 0.000 0.961 223 S CB -1.979 61.089 63.200 -0.221 0.000 1.074 223 S HN 0.780 nan 8.310 nan 0.000 0.625 224 G N 1.164 109.911 108.800 -0.087 0.000 5.259 224 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.288 224 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.288 224 G C 0.024 174.917 174.900 -0.012 0.000 1.534 224 G CA 0.126 45.177 45.100 -0.081 0.000 1.031 224 G HN 1.944 nan 8.290 nan 0.000 0.724 225 I N -1.726 118.791 120.570 -0.088 0.000 2.718 225 I HA 0.381 4.550 4.170 -0.001 0.000 0.287 225 I C 0.565 176.579 176.117 -0.172 0.000 1.645 225 I CA -0.196 60.976 61.300 -0.214 0.000 1.030 225 I CB 0.631 38.477 38.000 -0.257 0.000 1.470 225 I HN 1.134 nan 8.210 nan 0.000 0.455 226 Y N 3.243 123.554 120.300 0.018 0.000 4.851 226 Y HA -0.326 4.223 4.550 -0.001 0.000 0.235 226 Y C 1.145 177.023 175.900 -0.037 0.000 0.998 226 Y CA 0.729 58.794 58.100 -0.059 0.000 1.980 226 Y CB -1.593 36.801 38.460 -0.109 0.000 1.561 226 Y HN 0.668 nan 8.280 nan 0.000 0.585 227 A N 0.432 123.264 122.820 0.020 0.000 2.577 227 A HA 0.577 4.897 4.320 -0.001 0.000 0.280 227 A C 1.701 179.265 177.584 -0.034 0.000 1.331 227 A CA 0.921 52.904 52.037 -0.089 0.000 0.935 227 A CB -0.767 18.101 19.000 -0.219 0.000 1.082 227 A HN 1.154 nan 8.150 nan 0.000 0.525 228 G N 0.492 109.238 108.800 -0.090 0.000 2.690 228 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.334 228 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.334 228 G C 0.276 174.799 174.900 -0.629 0.000 1.250 228 G CA 1.334 46.232 45.100 -0.335 0.000 0.994 228 G HN 0.748 nan 8.290 nan 0.000 0.549 229 F N 1.623 121.565 119.950 -0.014 0.000 2.835 229 F HA 0.373 4.899 4.527 -0.001 0.000 0.342 229 F C 1.677 177.450 175.800 -0.045 0.000 1.202 229 F CA -0.015 57.953 58.000 -0.054 0.000 1.240 229 F CB 1.023 39.977 39.000 -0.077 0.000 1.005 229 F HN 0.246 nan 8.300 nan 0.000 0.507 230 E N 0.248 120.494 120.200 0.077 0.000 2.118 230 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 230 E C 2.169 178.771 176.600 0.004 0.000 0.992 230 E CA 1.732 58.165 56.400 0.055 0.000 0.804 230 E CB -0.183 29.521 29.700 0.007 0.000 0.741 230 E HN 0.421 nan 8.360 nan 0.000 0.458 231 S N 0.660 116.346 115.700 -0.024 0.000 2.593 231 S HA -0.020 4.449 4.470 -0.001 0.000 0.217 231 S C 1.564 176.102 174.600 -0.104 0.000 0.966 231 S CA 0.236 58.395 58.200 -0.068 0.000 0.914 231 S CB -0.120 63.030 63.200 -0.084 0.000 0.776 231 S HN 0.158 nan 8.310 nan 0.000 0.523 232 N N 2.409 121.072 118.700 -0.061 0.000 2.061 232 N HA -0.152 4.588 4.740 -0.001 0.000 0.193 232 N C 1.681 177.078 175.510 -0.188 0.000 1.030 232 N CA 1.813 54.809 53.050 -0.089 0.000 0.856 232 N CB -0.415 38.041 38.487 -0.051 0.000 1.023 232 N HN 0.599 nan 8.380 nan 0.000 0.424 233 I N 0.899 121.297 120.570 -0.287 0.000 2.454 233 I HA -0.207 3.962 4.170 -0.001 0.000 0.254 233 I C 2.271 177.844 176.117 -0.907 0.000 1.156 233 I CA 0.814 61.792 61.300 -0.537 0.000 1.433 233 I CB -0.022 37.626 38.000 -0.586 0.000 1.082 233 I HN 0.177 nan 8.210 nan 0.000 0.432 234 R N 0.185 120.284 120.500 -0.669 0.000 2.075 234 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 234 R C 2.334 178.582 176.300 -0.086 0.000 1.126 234 R CA 1.204 57.052 56.100 -0.421 0.000 0.963 234 R CB -0.337 29.898 30.300 -0.108 0.000 0.858 234 R HN 0.336 nan 8.270 nan 0.000 0.435 235 R N 0.275 120.732 120.500 -0.071 0.000 2.189 235 R HA -0.116 4.223 4.340 -0.001 0.000 0.218 235 R C 2.234 178.665 176.300 0.218 0.000 1.074 235 R CA 0.985 57.148 56.100 0.105 0.000 0.991 235 R CB -0.034 30.249 30.300 -0.029 0.000 0.883 235 R HN 0.123 nan 8.270 nan 0.000 0.457 236 Q N 0.004 119.826 119.800 0.036 0.000 2.079 236 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 236 Q C 1.435 177.562 176.000 0.212 0.000 0.974 236 Q CA 1.486 57.334 55.803 0.074 0.000 0.840 236 Q CB -0.074 28.639 28.738 -0.042 0.000 0.898 236 Q HN 0.271 nan 8.270 nan 0.000 0.430 237 W N 0.448 121.805 121.300 0.096 0.000 2.355 237 W HA -0.110 4.550 4.660 -0.001 0.000 0.309 237 W C 1.980 178.514 176.519 0.026 0.000 1.206 237 W CA 0.745 58.117 57.345 0.045 0.000 1.284 237 W CB -1.139 28.169 29.460 -0.254 0.000 1.145 237 W HN 0.239 nan 8.180 nan 0.000 0.502 238 L N 0.282 121.689 121.223 0.307 0.000 2.012 238 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 238 L C 2.578 179.525 176.870 0.129 0.000 1.073 238 L CA 1.899 56.893 54.840 0.256 0.000 0.748 238 L CB -1.044 41.273 42.059 0.430 0.000 0.891 238 L HN -0.075 nan 8.230 nan 0.000 0.431 239 K N 0.097 120.554 120.400 0.095 0.000 2.032 239 K HA -0.226 4.093 4.320 -0.001 0.000 0.209 239 K C 1.574 178.164 176.600 -0.016 0.000 1.048 239 K CA 1.982 58.190 56.287 -0.131 0.000 0.927 239 K CB -0.055 32.427 32.500 -0.029 0.000 0.712 239 K HN 0.270 nan 8.250 nan 0.000 0.441 240 D N 0.560 121.021 120.400 0.102 0.000 2.348 240 D HA -0.091 4.549 4.640 -0.001 0.000 0.216 240 D C 1.559 177.932 176.300 0.121 0.000 0.970 240 D CA 0.683 54.756 54.000 0.121 0.000 0.889 240 D CB 0.128 41.044 40.800 0.194 0.000 0.912 240 D HN 0.296 nan 8.370 nan 0.000 0.524 241 L N -0.635 120.665 121.223 0.128 0.000 2.558 241 L HA 0.147 4.486 4.340 -0.001 0.000 0.225 241 L C 1.455 178.365 176.870 0.066 0.000 1.128 241 L CA 0.417 55.331 54.840 0.123 0.000 0.868 241 L CB 0.106 42.253 42.059 0.147 0.000 1.006 241 L HN 0.127 nan 8.230 nan 0.000 0.454 242 G N -0.180 108.631 108.800 0.018 0.000 2.159 242 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.227 242 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.227 242 G C 0.205 175.077 174.900 -0.047 0.000 0.986 242 G CA -0.074 45.018 45.100 -0.014 0.000 0.651 242 G HN 0.057 nan 8.290 nan 0.000 0.523 243 V N 1.876 121.745 119.914 -0.075 0.000 2.572 243 V HA 0.283 4.402 4.120 -0.001 0.000 0.291 243 V C 0.427 176.353 176.094 -0.280 0.000 1.039 243 V CA -0.341 61.913 62.300 -0.076 0.000 1.055 243 V CB 1.099 32.953 31.823 0.053 0.000 0.969 243 V HN 0.285 nan 8.190 nan 0.000 0.482 244 D N 4.248 124.588 120.400 -0.100 0.000 2.302 244 D HA 0.361 5.000 4.640 -0.001 0.000 0.248 244 D C -0.443 175.936 176.300 0.131 0.000 1.094 244 D CA 0.286 54.240 54.000 -0.076 0.000 0.897 244 D CB 1.023 41.834 40.800 0.018 0.000 1.200 244 D HN 0.408 nan 8.370 nan 0.000 0.429 245 F N 1.070 121.086 119.950 0.111 0.000 2.427 245 F HA 0.320 4.846 4.527 -0.001 0.000 0.348 245 F C 0.034 175.906 175.800 0.120 0.000 1.125 245 F CA -1.060 57.036 58.000 0.160 0.000 0.989 245 F CB 1.622 40.820 39.000 0.329 0.000 1.165 245 F HN -0.142 nan 8.300 nan 0.000 0.442 246 V N 4.396 124.386 119.914 0.127 0.000 2.459 246 V HA 0.395 4.514 4.120 -0.001 0.000 0.295 246 V C -0.653 175.347 176.094 -0.156 0.000 1.029 246 V CA -0.794 61.496 62.300 -0.017 0.000 0.874 246 V CB 1.790 33.500 31.823 -0.189 0.000 0.985 246 V HN 0.444 nan 8.190 nan 0.000 0.438 247 F N 4.616 124.563 119.950 -0.005 0.000 2.482 247 F HA 0.641 5.167 4.527 -0.001 0.000 0.331 247 F C 0.098 175.909 175.800 0.018 0.000 1.115 247 F CA -0.684 57.365 58.000 0.082 0.000 0.955 247 F CB 1.659 40.732 39.000 0.122 0.000 1.136 247 F HN 0.223 nan 8.300 nan 0.000 0.452 248 I N 3.602 124.232 120.570 0.100 0.000 2.420 248 I HA 0.359 4.529 4.170 -0.001 0.000 0.282 248 I C -1.205 175.005 176.117 0.154 0.000 1.019 248 I CA -0.294 60.974 61.300 -0.053 0.000 1.130 248 I CB 1.345 38.934 38.000 -0.685 0.000 1.262 248 I HN 0.472 nan 8.210 nan 0.000 0.454 249 D N 7.904 128.478 120.400 0.290 0.000 2.812 249 D HA 0.209 4.848 4.640 -0.001 0.000 0.210 249 D C -2.438 174.108 176.300 0.410 0.000 1.260 249 D CA -1.381 52.828 54.000 0.347 0.000 0.817 249 D CB 3.238 44.258 40.800 0.366 0.000 1.694 249 D HN 0.014 nan 8.370 nan 0.000 0.530 250 P HA -0.104 nan 4.420 nan 0.000 0.216 250 P C -0.014 177.558 177.300 0.453 0.000 1.150 250 P CA 1.175 64.440 63.100 0.275 0.000 0.843 250 P CB 0.018 31.837 31.700 0.199 0.000 0.787 251 H N -0.948 118.295 119.070 0.288 0.000 2.457 251 H HA 0.341 4.897 4.556 -0.001 0.000 0.335 251 H C -0.275 175.023 175.328 -0.049 0.000 1.115 251 H CA -1.110 54.999 56.048 0.101 0.000 1.219 251 H CB 0.714 30.389 29.762 -0.146 0.000 1.471 251 H HN -0.152 nan 8.280 nan 0.000 0.491 252 M N 6.159 125.239 119.600 -0.866 0.000 2.869 252 M HA -0.017 4.462 4.480 -0.001 0.000 0.299 252 M C -0.358 175.092 176.300 -1.417 0.000 1.508 252 M CA -0.400 53.932 55.300 -1.612 0.000 1.551 252 M CB -0.764 30.608 32.600 -2.046 0.000 1.384 252 M HN 0.659 nan 8.290 nan 0.000 0.491 253 N N 1.907 119.998 118.700 -1.015 0.000 2.260 253 N HA -0.071 4.668 4.740 -0.001 0.000 0.230 253 N C 0.604 175.632 175.510 -0.804 0.000 1.323 253 N CA 0.249 52.782 53.050 -0.862 0.000 0.897 253 N CB 0.276 38.558 38.487 -0.341 0.000 1.146 253 N HN 0.448 nan 8.380 nan 0.000 0.460 254 H N -1.140 117.731 119.070 -0.331 0.000 2.421 254 H HA -0.064 4.491 4.556 -0.001 0.000 0.298 254 H C 1.202 176.327 175.328 -0.337 0.000 1.087 254 H CA 1.881 57.757 56.048 -0.286 0.000 1.330 254 H CB -0.484 29.178 29.762 -0.166 0.000 1.388 254 H HN 0.638 nan 8.280 nan 0.000 0.526 255 T N 0.764 115.138 114.554 -0.300 0.000 2.812 255 T HA 0.007 4.356 4.350 -0.001 0.000 0.264 255 T C 2.397 176.628 174.700 -0.780 0.000 1.042 255 T CA 0.998 62.861 62.100 -0.395 0.000 1.140 255 T CB -0.284 68.402 68.868 -0.303 0.000 0.870 255 T HN 0.432 nan 8.240 nan 0.000 0.445 256 A N 2.096 124.167 122.820 -1.248 0.000 1.902 256 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 256 A C 2.347 179.438 177.584 -0.822 0.000 1.181 256 A CA 1.384 52.447 52.037 -1.623 0.000 0.623 256 A CB -0.514 17.634 19.000 -1.420 0.000 0.818 256 A HN 0.413 nan 8.150 nan 0.000 0.443 257 R N -1.324 118.790 120.500 -0.642 0.000 2.152 257 R HA -0.087 4.252 4.340 -0.001 0.000 0.232 257 R C 1.987 178.112 176.300 -0.291 0.000 1.117 257 R CA 1.364 57.206 56.100 -0.431 0.000 0.981 257 R CB -0.385 29.702 30.300 -0.355 0.000 0.870 257 R HN 0.515 nan 8.270 nan 0.000 0.451 258 L N -0.090 120.960 121.223 -0.288 0.000 2.168 258 L HA -0.017 4.322 4.340 -0.001 0.000 0.203 258 L C 1.459 178.257 176.870 -0.120 0.000 1.078 258 L CA 1.217 55.949 54.840 -0.179 0.000 0.780 258 L CB 0.566 42.530 42.059 -0.158 0.000 0.939 258 L HN 0.039 nan 8.230 nan 0.000 0.451 259 V N -3.522 116.316 119.914 -0.125 0.000 3.261 259 V HA 0.631 4.750 4.120 -0.001 0.000 0.330 259 V C 0.591 176.805 176.094 0.199 0.000 1.461 259 V CA -0.233 62.114 62.300 0.078 0.000 1.127 259 V CB -0.695 31.302 31.823 0.290 0.000 1.044 259 V HN 0.228 nan 8.190 nan 0.000 0.499 260 A N 0.427 123.235 122.820 -0.020 0.000 2.462 260 A HA 0.458 4.777 4.320 -0.001 0.000 0.243 260 A C 0.839 178.528 177.584 0.175 0.000 1.076 260 A CA 0.495 52.629 52.037 0.160 0.000 0.773 260 A CB 0.184 19.113 19.000 -0.118 0.000 1.010 260 A HN 0.452 nan 8.150 nan 0.000 0.493 261 D N -0.137 120.411 120.400 0.247 0.000 2.355 261 D HA 0.142 4.781 4.640 -0.001 0.000 0.206 261 D C 0.120 176.495 176.300 0.126 0.000 1.010 261 D CA 1.009 55.091 54.000 0.136 0.000 0.875 261 D CB 0.463 41.327 40.800 0.105 0.000 0.966 261 D HN 0.476 nan 8.370 nan 0.000 0.512 262 K N -0.255 120.241 120.400 0.161 0.000 2.572 262 K HA 0.278 4.598 4.320 -0.001 0.000 0.263 262 K C -2.407 174.286 176.600 0.155 0.000 0.932 262 K CA -0.687 55.664 56.287 0.108 0.000 0.838 262 K CB 1.530 34.020 32.500 -0.016 0.000 1.366 262 K HN -0.106 nan 8.250 nan 0.000 0.425 263 W N 6.408 127.690 121.300 -0.029 0.000 2.839 263 W HA 0.654 5.313 4.660 -0.001 0.000 0.334 263 W C -1.899 174.718 176.519 0.163 0.000 1.064 263 W CA -0.940 56.405 57.345 -0.001 0.000 1.236 263 W CB 0.937 30.391 29.460 -0.009 0.000 1.405 263 W HN 0.315 nan 8.180 nan 0.000 0.478 264 F N 4.141 123.825 119.950 -0.443 0.000 2.469 264 F HA 0.459 4.985 4.527 -0.001 0.000 0.332 264 F C 0.400 175.710 175.800 -0.817 0.000 1.103 264 F CA -1.788 55.864 58.000 -0.582 0.000 0.979 264 F CB 1.959 40.778 39.000 -0.302 0.000 1.137 264 F HN 0.279 nan 8.300 nan 0.000 0.463 265 S N 5.577 120.913 115.700 -0.606 0.000 2.269 265 S HA 0.420 4.889 4.470 -0.001 0.000 0.194 265 S C -2.737 171.765 174.600 -0.164 0.000 1.547 265 S CA -1.519 56.446 58.200 -0.391 0.000 1.186 265 S CB 0.005 62.882 63.200 -0.537 0.000 1.069 265 S HN 0.275 nan 8.310 nan 0.000 0.473 266 P HA 0.200 nan 4.420 nan 0.000 0.274 266 P C -0.549 176.753 177.300 0.003 0.000 1.231 266 P CA -0.431 62.657 63.100 -0.019 0.000 0.790 266 P CB 0.700 32.447 31.700 0.078 0.000 0.951 267 K N 1.843 122.229 120.400 -0.023 0.000 2.380 267 K HA 0.144 4.463 4.320 -0.001 0.000 0.267 267 K C 0.852 177.440 176.600 -0.021 0.000 0.990 267 K CA -0.392 55.880 56.287 -0.025 0.000 0.946 267 K CB -0.006 32.465 32.500 -0.048 0.000 0.937 267 K HN 0.502 nan 8.250 nan 0.000 0.491 268 I N -1.345 119.202 120.570 -0.038 0.000 2.815 268 I HA 0.048 4.217 4.170 -0.001 0.000 0.291 268 I C 0.971 176.965 176.117 -0.206 0.000 1.209 268 I CA 0.422 61.667 61.300 -0.090 0.000 1.431 268 I CB -0.107 37.847 38.000 -0.077 0.000 1.351 268 I HN 0.847 nan 8.210 nan 0.000 0.585 269 G N 3.474 111.959 108.800 -0.525 0.000 2.179 269 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.257 269 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.257 269 G C 0.528 175.228 174.900 -0.332 0.000 1.010 269 G CA 0.611 45.117 45.100 -0.989 0.000 0.736 269 G HN 1.362 nan 8.290 nan 0.000 0.513 270 T N -3.827 110.707 114.554 -0.033 0.000 3.091 270 T HA 0.284 4.633 4.350 -0.001 0.000 0.277 270 T C 1.229 176.213 174.700 0.473 0.000 0.996 270 T CA 0.800 63.058 62.100 0.263 0.000 0.897 270 T CB 0.342 69.272 68.868 0.103 0.000 1.109 270 T HN 0.160 nan 8.240 nan 0.000 0.534 271 D N 2.525 123.317 120.400 0.653 0.000 2.149 271 D HA -0.182 4.457 4.640 -0.001 0.000 0.198 271 D C 1.888 178.731 176.300 0.905 0.000 0.990 271 D CA 1.651 56.158 54.000 0.845 0.000 0.839 271 D CB -0.152 41.209 40.800 0.935 0.000 0.948 271 D HN 0.722 nan 8.370 nan 0.000 0.460 272 H N 0.387 119.871 119.070 0.690 0.000 2.545 272 H HA 0.203 4.758 4.556 -0.001 0.000 0.282 272 H C 1.756 177.588 175.328 0.839 0.000 1.020 272 H CA 0.858 57.312 56.048 0.676 0.000 1.243 272 H CB -0.539 29.643 29.762 0.699 0.000 1.377 272 H HN 0.053 nan 8.280 nan 0.000 0.581 273 A N 1.805 124.925 122.820 0.500 0.000 1.929 273 A HA 0.060 4.379 4.320 -0.001 0.000 0.216 273 A C 2.664 180.445 177.584 0.328 0.000 1.176 273 A CA 0.733 52.865 52.037 0.159 0.000 0.628 273 A CB -0.617 18.122 19.000 -0.436 0.000 0.816 273 A HN 0.346 nan 8.150 nan 0.000 0.444 274 L N 0.429 121.886 121.223 0.390 0.000 2.056 274 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 274 L C 3.021 180.180 176.870 0.483 0.000 1.078 274 L CA 1.638 56.725 54.840 0.412 0.000 0.749 274 L CB -0.667 41.699 42.059 0.512 0.000 0.901 274 L HN 0.597 nan 8.230 nan 0.000 0.433 275 S N -0.299 115.719 115.700 0.529 0.000 2.383 275 S HA -0.152 4.317 4.470 -0.001 0.000 0.227 275 S C 1.895 176.561 174.600 0.110 0.000 1.026 275 S CA 0.908 59.250 58.200 0.237 0.000 0.981 275 S CB -0.830 62.357 63.200 -0.022 0.000 0.818 275 S HN 0.280 nan 8.310 nan 0.000 0.472 276 F N 2.273 122.394 119.950 0.285 0.000 2.186 276 F HA 0.148 4.674 4.527 -0.001 0.000 0.299 276 F C 2.836 178.674 175.800 0.064 0.000 1.090 276 F CA 0.793 58.894 58.000 0.168 0.000 1.307 276 F CB -0.459 38.628 39.000 0.144 0.000 1.019 276 F HN 0.320 nan 8.300 nan 0.000 0.489 277 A N 0.045 123.047 122.820 0.303 0.000 1.968 277 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 277 A C 2.145 179.762 177.584 0.055 0.000 1.169 277 A CA 1.135 53.280 52.037 0.179 0.000 0.638 277 A CB -0.866 18.242 19.000 0.179 0.000 0.812 277 A HN 0.389 nan 8.150 nan 0.000 0.446 278 I N -0.326 120.196 120.570 -0.079 0.000 2.252 278 I HA -0.240 3.930 4.170 -0.001 0.000 0.245 278 I C 2.960 178.596 176.117 -0.802 0.000 1.102 278 I CA 0.999 62.018 61.300 -0.469 0.000 1.385 278 I CB -0.312 37.341 38.000 -0.578 0.000 1.064 278 I HN 0.348 nan 8.210 nan 0.000 0.414 279 A N 0.247 122.794 122.820 -0.456 0.000 1.902 279 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 279 A C 2.300 179.843 177.584 -0.068 0.000 1.181 279 A CA 1.536 53.453 52.037 -0.199 0.000 0.623 279 A CB -1.074 18.001 19.000 0.124 0.000 0.818 279 A HN 0.537 nan 8.150 nan 0.000 0.443 280 Y N 1.365 121.573 120.300 -0.154 0.000 2.165 280 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 280 Y C 2.580 178.446 175.900 -0.057 0.000 1.155 280 Y CA 2.439 60.463 58.100 -0.127 0.000 1.164 280 Y CB -0.701 37.676 38.460 -0.138 0.000 0.978 280 Y HN 0.306 nan 8.280 nan 0.000 0.513 281 T N -0.114 114.437 114.554 -0.005 0.000 2.746 281 T HA -0.208 4.141 4.350 -0.001 0.000 0.267 281 T C 1.406 176.169 174.700 0.106 0.000 1.039 281 T CA 1.639 63.741 62.100 0.003 0.000 1.142 281 T CB -0.509 68.384 68.868 0.042 0.000 0.866 281 T HN 0.484 nan 8.240 nan 0.000 0.444 282 W N 1.348 122.643 121.300 -0.009 0.000 2.388 282 W HA 0.163 4.822 4.660 -0.001 0.000 0.294 282 W C 2.022 178.586 176.519 0.074 0.000 1.212 282 W CA -0.020 57.351 57.345 0.043 0.000 1.271 282 W CB -1.323 28.146 29.460 0.016 0.000 1.126 282 W HN 0.292 nan 8.180 nan 0.000 0.535 283 L N 0.087 121.400 121.223 0.149 0.000 2.072 283 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 283 L C 2.548 179.422 176.870 0.007 0.000 1.079 283 L CA 1.051 55.937 54.840 0.076 0.000 0.752 283 L CB -0.769 41.231 42.059 -0.099 0.000 0.906 283 L HN -0.241 nan 8.230 nan 0.000 0.436 284 K N 0.429 120.720 120.400 -0.181 0.000 2.148 284 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 284 K C 1.453 178.031 176.600 -0.036 0.000 1.050 284 K CA 1.176 57.345 56.287 -0.197 0.000 0.942 284 K CB 0.010 32.270 32.500 -0.399 0.000 0.724 284 K HN 0.427 nan 8.250 nan 0.000 0.446 285 E N 0.298 120.525 120.200 0.045 0.000 2.501 285 E HA 0.009 4.358 4.350 -0.001 0.000 0.201 285 E C -0.906 175.757 176.600 0.105 0.000 1.016 285 E CA -0.127 56.323 56.400 0.083 0.000 0.920 285 E CB 0.264 30.035 29.700 0.119 0.000 1.023 285 E HN 0.203 nan 8.360 nan 0.000 0.474 286 D N 0.730 121.220 120.400 0.149 0.000 2.751 286 D HA -0.160 4.479 4.640 -0.001 0.000 0.233 286 D C -0.410 175.934 176.300 0.073 0.000 1.149 286 D CA 1.079 55.157 54.000 0.129 0.000 0.682 286 D CB -1.188 39.629 40.800 0.027 0.000 1.068 286 D HN 0.187 nan 8.370 nan 0.000 0.429 287 S N -0.279 115.529 115.700 0.180 0.000 2.694 287 S HA 0.484 4.953 4.470 -0.001 0.000 0.211 287 S C -0.213 174.330 174.600 -0.096 0.000 1.328 287 S CA -0.906 57.311 58.200 0.029 0.000 1.236 287 S CB -0.223 63.010 63.200 0.056 0.000 1.121 287 S HN 0.476 nan 8.310 nan 0.000 0.517 288 Y N -2.224 117.942 120.300 -0.224 0.000 2.728 288 Y HA 0.671 5.220 4.550 -0.001 0.000 0.330 288 Y C -1.037 174.743 175.900 -0.201 0.000 1.234 288 Y CA -1.563 56.346 58.100 -0.320 0.000 1.070 288 Y CB 0.304 38.643 38.460 -0.202 0.000 1.300 288 Y HN 0.081 nan 8.280 nan 0.000 0.467 289 D N 1.628 121.935 120.400 -0.157 0.000 2.517 289 D HA 0.171 4.810 4.640 -0.001 0.000 0.220 289 D C 0.363 176.547 176.300 -0.193 0.000 1.158 289 D CA 0.153 54.039 54.000 -0.190 0.000 0.992 289 D CB 0.519 41.231 40.800 -0.147 0.000 1.058 289 D HN 0.696 nan 8.370 nan 0.000 0.516 290 K N 1.435 121.571 120.400 -0.439 0.000 2.063 290 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 290 K C 1.429 177.949 176.600 -0.132 0.000 1.048 290 K CA 1.174 57.249 56.287 -0.353 0.000 0.928 290 K CB 0.324 32.588 32.500 -0.394 0.000 0.713 290 K HN 0.219 nan 8.250 nan 0.000 0.442 291 E N 0.265 120.404 120.200 -0.101 0.000 2.058 291 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 291 E C 1.778 178.366 176.600 -0.021 0.000 0.997 291 E CA 1.296 57.662 56.400 -0.056 0.000 0.801 291 E CB -0.481 29.189 29.700 -0.050 0.000 0.746 291 E HN 0.368 nan 8.360 nan 0.000 0.450 292 Y N 0.721 120.945 120.300 -0.126 0.000 2.128 292 Y HA -0.265 4.285 4.550 -0.001 0.000 0.284 292 Y C 2.129 177.960 175.900 -0.115 0.000 1.154 292 Y CA 1.452 59.479 58.100 -0.122 0.000 1.149 292 Y CB -0.170 38.229 38.460 -0.101 0.000 0.976 292 Y HN -0.113 nan 8.280 nan 0.000 0.505 293 V N 0.449 120.458 119.914 0.159 0.000 2.343 293 V HA -0.344 3.775 4.120 -0.001 0.000 0.247 293 V C 2.645 178.680 176.094 -0.099 0.000 1.051 293 V CA 1.767 64.051 62.300 -0.028 0.000 1.036 293 V CB -1.523 30.127 31.823 -0.289 0.000 0.654 293 V HN 0.596 nan 8.190 nan 0.000 0.451 294 A N -0.281 122.495 122.820 -0.074 0.000 1.972 294 A HA -0.075 4.244 4.320 -0.001 0.000 0.219 294 A C 2.288 179.844 177.584 -0.048 0.000 1.169 294 A CA 2.155 54.167 52.037 -0.040 0.000 0.635 294 A CB -0.496 18.486 19.000 -0.031 0.000 0.810 294 A HN 0.591 nan 8.150 nan 0.000 0.446 295 A N -1.077 121.677 122.820 -0.111 0.000 2.044 295 A HA 0.084 4.403 4.320 -0.001 0.000 0.213 295 A C 1.446 178.916 177.584 -0.191 0.000 1.169 295 A CA 0.864 52.812 52.037 -0.149 0.000 0.724 295 A CB -0.018 18.858 19.000 -0.206 0.000 0.840 295 A HN 0.462 nan 8.150 nan 0.000 0.463 296 N N -0.273 118.275 118.700 -0.255 0.000 2.187 296 N HA 0.356 5.096 4.740 -0.001 0.000 0.212 296 N C -0.078 175.518 175.510 0.143 0.000 1.152 296 N CA 0.702 53.627 53.050 -0.207 0.000 0.872 296 N CB 0.911 38.965 38.487 -0.722 0.000 1.025 296 N HN 0.413 nan 8.380 nan 0.000 0.514 297 A N 0.057 122.968 122.820 0.151 0.000 2.380 297 A HA 0.607 4.926 4.320 -0.001 0.000 0.315 297 A C -1.298 176.482 177.584 0.328 0.000 1.101 297 A CA -0.450 51.771 52.037 0.307 0.000 0.771 297 A CB 1.415 20.551 19.000 0.227 0.000 1.287 297 A HN 0.314 nan 8.150 nan 0.000 0.436 298 H N -0.594 118.666 119.070 0.316 0.000 2.589 298 H HA 0.510 5.065 4.556 -0.001 0.000 0.351 298 H C 0.712 176.221 175.328 0.301 0.000 1.074 298 H CA 0.528 56.727 56.048 0.252 0.000 1.203 298 H CB 1.438 31.323 29.762 0.206 0.000 1.558 298 H HN 1.714 nan 8.280 nan 0.000 0.522 299 G N 3.673 112.284 108.800 -0.315 0.000 2.153 299 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.252 299 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.252 299 G C 0.751 175.690 174.900 0.064 0.000 0.994 299 G CA 0.584 45.587 45.100 -0.161 0.000 0.698 299 G HN 0.613 nan 8.290 nan 0.000 0.521 300 F N 1.235 121.123 119.950 -0.102 0.000 2.186 300 F HA 0.069 4.595 4.527 -0.001 0.000 0.299 300 F C 2.355 178.153 175.800 -0.003 0.000 1.090 300 F CA 2.320 60.184 58.000 -0.226 0.000 1.307 300 F CB 0.054 38.866 39.000 -0.312 0.000 1.019 300 F HN 0.291 nan 8.300 nan 0.000 0.489 301 E N 0.538 120.777 120.200 0.066 0.000 2.058 301 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 301 E C 1.939 178.513 176.600 -0.043 0.000 0.997 301 E CA 1.874 58.283 56.400 0.015 0.000 0.801 301 E CB -0.503 29.237 29.700 0.066 0.000 0.746 301 E HN 0.455 nan 8.360 nan 0.000 0.450 302 E N -0.288 119.915 120.200 0.005 0.000 2.077 302 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 302 E C 1.657 178.290 176.600 0.055 0.000 0.989 302 E CA 1.059 57.477 56.400 0.030 0.000 0.800 302 E CB -0.395 29.338 29.700 0.055 0.000 0.746 302 E HN 0.360 nan 8.360 nan 0.000 0.452 303 W N 1.457 122.674 121.300 -0.137 0.000 2.355 303 W HA -0.172 4.487 4.660 -0.001 0.000 0.309 303 W C 2.365 178.785 176.519 -0.166 0.000 1.206 303 W CA 2.185 59.472 57.345 -0.097 0.000 1.284 303 W CB -0.527 28.863 29.460 -0.117 0.000 1.145 303 W HN 0.073 nan 8.180 nan 0.000 0.502 304 A N 0.137 122.733 122.820 -0.374 0.000 1.908 304 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 304 A C 1.757 179.148 177.584 -0.322 0.000 1.181 304 A CA 2.248 53.989 52.037 -0.494 0.000 0.627 304 A CB -1.083 17.645 19.000 -0.454 0.000 0.818 304 A HN 0.321 nan 8.150 nan 0.000 0.445 305 D N -1.978 118.307 120.400 -0.193 0.000 2.178 305 D HA -0.144 4.495 4.640 -0.001 0.000 0.201 305 D C 1.613 177.812 176.300 -0.169 0.000 0.980 305 D CA 1.478 55.395 54.000 -0.138 0.000 0.842 305 D CB -0.320 40.438 40.800 -0.069 0.000 0.948 305 D HN 0.668 nan 8.370 nan 0.000 0.472 306 Y N 1.401 121.523 120.300 -0.296 0.000 2.184 306 Y HA -0.171 4.378 4.550 -0.001 0.000 0.290 306 Y C 2.188 177.820 175.900 -0.446 0.000 1.129 306 Y CA 1.024 58.922 58.100 -0.336 0.000 1.144 306 Y CB -0.370 37.897 38.460 -0.321 0.000 0.995 306 Y HN -0.228 nan 8.280 nan 0.000 0.513 307 V N 0.976 120.539 119.914 -0.585 0.000 2.392 307 V HA -0.325 3.794 4.120 -0.001 0.000 0.249 307 V C 2.294 178.147 176.094 -0.401 0.000 1.059 307 V CA 2.052 63.999 62.300 -0.589 0.000 1.051 307 V CB -0.802 30.652 31.823 -0.616 0.000 0.658 307 V HN 0.448 nan 8.190 nan 0.000 0.455 308 L N 0.331 121.380 121.223 -0.289 0.000 2.610 308 L HA 0.194 4.533 4.340 -0.001 0.000 0.232 308 L C 1.820 178.561 176.870 -0.216 0.000 1.149 308 L CA 0.857 55.626 54.840 -0.118 0.000 0.872 308 L CB -0.734 41.254 42.059 -0.118 0.000 0.992 308 L HN 0.574 nan 8.230 nan 0.000 0.447 309 G N 0.144 108.698 108.800 -0.410 0.000 2.148 309 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.254 309 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.254 309 G C 1.016 175.753 174.900 -0.272 0.000 0.981 309 G CA 0.660 45.502 45.100 -0.431 0.000 0.670 309 G HN 0.389 nan 8.290 nan 0.000 0.528 310 K N -0.262 120.015 120.400 -0.205 0.000 2.057 310 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 310 K C 2.831 179.367 176.600 -0.107 0.000 1.050 310 K CA 1.946 58.155 56.287 -0.129 0.000 0.935 310 K CB -0.278 32.164 32.500 -0.096 0.000 0.715 310 K HN 0.604 nan 8.250 nan 0.000 0.439 311 T N -0.215 114.277 114.554 -0.103 0.000 2.978 311 T HA -0.076 4.273 4.350 -0.001 0.000 0.262 311 T C 1.442 176.112 174.700 -0.051 0.000 1.063 311 T CA 1.168 63.240 62.100 -0.046 0.000 1.140 311 T CB -0.107 68.774 68.868 0.021 0.000 0.886 311 T HN 0.214 nan 8.240 nan 0.000 0.470 312 D N 0.508 120.839 120.400 -0.114 0.000 2.407 312 D HA 0.249 4.888 4.640 -0.001 0.000 0.208 312 D C 1.660 177.869 176.300 -0.151 0.000 1.083 312 D CA 0.552 54.488 54.000 -0.108 0.000 0.844 312 D CB -0.506 40.230 40.800 -0.107 0.000 0.967 312 D HN 0.589 nan 8.370 nan 0.000 0.506 313 G N -0.328 108.361 108.800 -0.184 0.000 2.159 313 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.256 313 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.256 313 G C 0.154 174.918 174.900 -0.226 0.000 0.977 313 G CA 0.455 45.453 45.100 -0.169 0.000 0.652 313 G HN 0.443 nan 8.290 nan 0.000 0.531 314 T N 2.402 116.747 114.554 -0.347 0.000 2.991 314 T HA 0.522 4.871 4.350 -0.001 0.000 0.347 314 T C -2.702 171.602 174.700 -0.660 0.000 1.122 314 T CA -0.953 60.874 62.100 -0.455 0.000 1.062 314 T CB 2.543 71.121 68.868 -0.483 0.000 1.043 314 T HN 0.032 nan 8.240 nan 0.000 0.491 315 P HA 0.104 nan 4.420 nan 0.000 0.267 315 P C -0.018 176.717 177.300 -0.941 0.000 1.205 315 P CA -0.449 62.288 63.100 -0.606 0.000 0.765 315 P CB 0.480 31.939 31.700 -0.401 0.000 0.828 316 K N 2.538 122.305 120.400 -1.056 0.000 2.737 316 K HA 0.108 4.427 4.320 -0.001 0.000 0.251 316 K C 0.628 176.743 176.600 -0.809 0.000 1.280 316 K CA 0.148 55.753 56.287 -1.136 0.000 1.219 316 K CB -1.217 30.742 32.500 -0.902 0.000 1.587 316 K HN 0.482 nan 8.250 nan 0.000 0.279 317 T N -3.194 110.900 114.554 -0.768 0.000 2.766 317 T HA 0.029 4.378 4.350 -0.001 0.000 0.295 317 T C 1.644 176.303 174.700 -0.069 0.000 1.024 317 T CA -0.588 61.176 62.100 -0.561 0.000 1.018 317 T CB 0.847 69.494 68.868 -0.369 0.000 1.002 317 T HN 0.402 nan 8.240 nan 0.000 0.532 318 C N 0.905 120.194 119.300 -0.018 0.000 2.435 318 C HA 0.019 4.478 4.460 -0.001 0.000 0.279 318 C C 2.771 177.746 174.990 -0.025 0.000 1.321 318 C CA 0.497 59.523 59.018 0.013 0.000 1.752 318 C CB -1.469 26.284 27.740 0.021 0.000 1.959 318 C HN 0.975 nan 8.230 nan 0.000 0.500 319 E N -0.273 119.914 120.200 -0.023 0.000 2.072 319 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 319 E C 1.650 178.222 176.600 -0.046 0.000 0.985 319 E CA 1.042 57.417 56.400 -0.041 0.000 0.801 319 E CB -0.364 29.319 29.700 -0.030 0.000 0.750 319 E HN 0.848 nan 8.360 nan 0.000 0.452 320 W N 1.349 122.529 121.300 -0.200 0.000 2.358 320 W HA -0.149 4.511 4.660 -0.001 0.000 0.303 320 W C 2.144 178.533 176.519 -0.216 0.000 1.208 320 W CA 2.123 59.334 57.345 -0.223 0.000 1.274 320 W CB -0.363 28.916 29.460 -0.301 0.000 1.138 320 W HN 0.039 nan 8.180 nan 0.000 0.515 321 A N 0.092 122.726 122.820 -0.309 0.000 1.969 321 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 321 A C 2.020 179.361 177.584 -0.404 0.000 1.169 321 A CA 1.777 53.496 52.037 -0.531 0.000 0.635 321 A CB -0.980 17.944 19.000 -0.127 0.000 0.810 321 A HN 0.559 nan 8.150 nan 0.000 0.445 322 E N -0.200 119.838 120.200 -0.271 0.000 2.072 322 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 322 E C 1.963 178.415 176.600 -0.247 0.000 0.985 322 E CA 1.268 57.530 56.400 -0.230 0.000 0.801 322 E CB -0.173 29.425 29.700 -0.171 0.000 0.750 322 E HN 0.735 nan 8.360 nan 0.000 0.452 323 E N -0.193 119.844 120.200 -0.272 0.000 2.204 323 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 323 E C 1.848 178.270 176.600 -0.296 0.000 0.990 323 E CA 0.914 57.165 56.400 -0.249 0.000 0.821 323 E CB 0.218 29.785 29.700 -0.222 0.000 0.750 323 E HN 0.233 nan 8.360 nan 0.000 0.477 324 E N -0.241 119.695 120.200 -0.440 0.000 2.086 324 E HA -0.082 4.267 4.350 -0.001 0.000 0.190 324 E C 2.147 178.609 176.600 -0.231 0.000 0.975 324 E CA 1.363 57.531 56.400 -0.387 0.000 0.813 324 E CB 0.097 29.400 29.700 -0.662 0.000 0.768 324 E HN 0.265 nan 8.360 nan 0.000 0.457 325 S N -1.566 113.994 115.700 -0.233 0.000 2.502 325 S HA 0.248 4.717 4.470 -0.001 0.000 0.215 325 S C 1.638 176.150 174.600 -0.146 0.000 1.009 325 S CA 0.768 58.882 58.200 -0.143 0.000 0.908 325 S CB 0.875 64.008 63.200 -0.111 0.000 0.801 325 S HN 0.283 nan 8.310 nan 0.000 0.505 326 G N 0.717 109.413 108.800 -0.173 0.000 2.176 326 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.253 326 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.253 326 G C 0.046 174.828 174.900 -0.197 0.000 0.979 326 G CA 0.083 45.086 45.100 -0.162 0.000 0.641 326 G HN 0.746 nan 8.290 nan 0.000 0.530 327 V N 2.339 122.110 119.914 -0.240 0.000 2.461 327 V HA 0.394 4.513 4.120 -0.001 0.000 0.275 327 V C -1.498 174.402 176.094 -0.322 0.000 1.047 327 V CA -1.445 60.648 62.300 -0.345 0.000 0.955 327 V CB 1.303 32.850 31.823 -0.460 0.000 0.988 327 V HN 0.097 nan 8.190 nan 0.000 0.471 328 P HA -0.025 nan 4.420 nan 0.000 0.260 328 P C 0.676 177.850 177.300 -0.210 0.000 1.172 328 P CA 0.489 63.459 63.100 -0.217 0.000 0.760 328 P CB 0.628 32.222 31.700 -0.177 0.000 0.773 329 A N 4.145 126.882 122.820 -0.139 0.000 1.892 329 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 329 A C 2.231 179.779 177.584 -0.060 0.000 1.188 329 A CA 2.174 54.154 52.037 -0.095 0.000 0.631 329 A CB -1.841 17.122 19.000 -0.062 0.000 0.822 329 A HN 0.753 nan 8.150 nan 0.000 0.447 330 C N -0.642 118.632 119.300 -0.044 0.000 2.413 330 C HA -0.095 4.364 4.460 -0.001 0.000 0.277 330 C C 2.275 177.274 174.990 0.016 0.000 1.265 330 C CA 1.125 60.142 59.018 -0.002 0.000 1.752 330 C CB -1.603 26.140 27.740 0.005 0.000 1.998 330 C HN 0.664 nan 8.230 nan 0.000 0.489 331 E N 1.248 121.426 120.200 -0.037 0.000 2.106 331 E HA -0.060 4.289 4.350 -0.001 0.000 0.192 331 E C 2.150 178.785 176.600 0.058 0.000 0.984 331 E CA 1.314 57.728 56.400 0.023 0.000 0.806 331 E CB -0.229 29.407 29.700 -0.107 0.000 0.750 331 E HN 0.724 nan 8.360 nan 0.000 0.458 332 I N 0.970 121.473 120.570 -0.112 0.000 2.179 332 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 332 I C 2.783 178.967 176.117 0.112 0.000 1.088 332 I CA 1.136 62.429 61.300 -0.011 0.000 1.357 332 I CB -0.254 37.704 38.000 -0.071 0.000 1.051 332 I HN 0.021 nan 8.210 nan 0.000 0.409 333 R N 1.075 121.626 120.500 0.085 0.000 2.092 333 R HA -0.148 4.191 4.340 -0.001 0.000 0.231 333 R C 2.373 178.773 176.300 0.168 0.000 1.119 333 R CA 1.425 57.595 56.100 0.118 0.000 0.970 333 R CB -0.188 30.170 30.300 0.096 0.000 0.864 333 R HN 0.362 nan 8.270 nan 0.000 0.440 334 A N 1.087 124.009 122.820 0.170 0.000 1.902 334 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 334 A C 2.003 179.741 177.584 0.256 0.000 1.181 334 A CA 1.223 53.377 52.037 0.194 0.000 0.623 334 A CB -0.587 18.520 19.000 0.178 0.000 0.818 334 A HN 0.382 nan 8.150 nan 0.000 0.443 335 L N -0.162 121.249 121.223 0.313 0.000 2.046 335 L HA -0.035 4.304 4.340 -0.001 0.000 0.208 335 L C 2.619 179.775 176.870 0.477 0.000 1.077 335 L CA 2.194 57.261 54.840 0.379 0.000 0.747 335 L CB -0.943 41.387 42.059 0.451 0.000 0.896 335 L HN 0.341 nan 8.230 nan 0.000 0.432 336 A N -0.137 122.916 122.820 0.390 0.000 1.883 336 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 336 A C 2.440 180.394 177.584 0.617 0.000 1.186 336 A CA 2.101 54.374 52.037 0.393 0.000 0.624 336 A CB -0.594 18.459 19.000 0.088 0.000 0.822 336 A HN 0.531 nan 8.150 nan 0.000 0.444 337 R N -1.370 119.377 120.500 0.411 0.000 2.075 337 R HA -0.147 4.192 4.340 -0.001 0.000 0.232 337 R C 2.529 179.025 176.300 0.325 0.000 1.126 337 R CA 1.597 57.904 56.100 0.346 0.000 0.963 337 R CB -0.286 30.155 30.300 0.235 0.000 0.858 337 R HN 0.637 nan 8.270 nan 0.000 0.435 338 Q N 0.099 120.093 119.800 0.322 0.000 2.079 338 Q HA -0.185 4.154 4.340 -0.001 0.000 0.200 338 Q C 1.662 177.871 176.000 0.348 0.000 0.974 338 Q CA 1.425 57.391 55.803 0.273 0.000 0.840 338 Q CB -0.301 28.574 28.738 0.228 0.000 0.898 338 Q HN 0.395 nan 8.270 nan 0.000 0.430 339 W N 0.550 122.002 121.300 0.254 0.000 2.338 339 W HA -0.165 4.494 4.660 -0.001 0.000 0.304 339 W C 1.960 178.561 176.519 0.136 0.000 1.212 339 W CA 2.210 59.718 57.345 0.272 0.000 1.264 339 W CB -0.965 28.803 29.460 0.513 0.000 1.142 339 W HN 0.291 nan 8.180 nan 0.000 0.512 340 A N 1.097 124.146 122.820 0.381 0.000 1.902 340 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 340 A C 2.037 179.629 177.584 0.013 0.000 1.181 340 A CA 2.538 54.543 52.037 -0.052 0.000 0.623 340 A CB -0.844 18.072 19.000 -0.140 0.000 0.818 340 A HN 0.476 nan 8.150 nan 0.000 0.443 341 K N -1.516 118.942 120.400 0.097 0.000 2.400 341 K HA 0.111 4.430 4.320 -0.001 0.000 0.194 341 K C 0.026 176.667 176.600 0.068 0.000 1.033 341 K CA 0.225 56.550 56.287 0.064 0.000 1.021 341 K CB 0.206 32.750 32.500 0.074 0.000 0.808 341 K HN 0.073 nan 8.250 nan 0.000 0.505 342 K N 1.475 121.936 120.400 0.102 0.000 2.166 342 K HA 0.238 4.558 4.320 -0.001 0.000 0.245 342 K C -0.736 175.902 176.600 0.063 0.000 0.967 342 K CA -0.951 55.386 56.287 0.085 0.000 0.863 342 K CB 0.993 33.552 32.500 0.098 0.000 1.107 342 K HN -0.064 nan 8.250 nan 0.000 0.436 343 N N 1.675 120.405 118.700 0.050 0.000 2.400 343 N HA 0.079 4.818 4.740 -0.001 0.000 0.267 343 N C -0.883 174.627 175.510 -0.000 0.000 1.208 343 N CA 0.368 53.422 53.050 0.006 0.000 0.951 343 N CB 0.140 38.667 38.487 0.067 0.000 1.227 343 N HN 0.284 nan 8.380 nan 0.000 0.488 344 T N 2.598 117.104 114.554 -0.080 0.000 2.779 344 T HA 0.344 4.693 4.350 -0.001 0.000 0.280 344 T C -0.296 174.262 174.700 -0.237 0.000 0.987 344 T CA -0.373 61.645 62.100 -0.137 0.000 0.966 344 T CB 0.538 69.225 68.868 -0.302 0.000 0.933 344 T HN 0.184 nan 8.240 nan 0.000 0.442 345 Y N 1.954 122.211 120.300 -0.071 0.000 2.342 345 Y HA 0.537 5.086 4.550 -0.001 0.000 0.334 345 Y C -0.006 175.795 175.900 -0.164 0.000 1.067 345 Y CA -1.311 56.786 58.100 -0.004 0.000 1.128 345 Y CB 1.112 39.666 38.460 0.156 0.000 1.200 345 Y HN 0.418 nan 8.280 nan 0.000 0.464 346 L N 3.874 125.147 121.223 0.083 0.000 2.259 346 L HA 0.635 4.975 4.340 -0.001 0.000 0.288 346 L C -0.050 176.830 176.870 0.017 0.000 1.051 346 L CA -0.591 54.268 54.840 0.031 0.000 0.824 346 L CB 0.243 42.469 42.059 0.279 0.000 1.206 346 L HN 0.687 nan 8.230 nan 0.000 0.429 347 A N 5.486 128.203 122.820 -0.172 0.000 3.015 347 A HA 0.694 5.013 4.320 -0.001 0.000 0.293 347 A C 0.472 178.102 177.584 0.077 0.000 1.572 347 A CA -0.021 51.894 52.037 -0.204 0.000 1.274 347 A CB -0.663 17.934 19.000 -0.671 0.000 1.156 347 A HN 0.933 nan 8.150 nan 0.000 0.562 348 A N 1.905 124.835 122.820 0.182 0.000 2.350 348 A HA 0.643 4.962 4.320 -0.001 0.000 0.293 348 A C 1.025 178.860 177.584 0.419 0.000 1.231 348 A CA 0.510 52.791 52.037 0.405 0.000 0.883 348 A CB -0.650 18.528 19.000 0.298 0.000 1.133 348 A HN 2.571 nan 8.150 nan 0.000 0.533 349 G N 1.463 110.583 108.800 0.533 0.000 2.781 349 G HA2 0.187 4.146 3.960 -0.001 0.000 0.683 349 G HA3 0.187 4.146 3.960 -0.001 0.000 0.683 349 G C 0.807 175.820 174.900 0.189 0.000 1.390 349 G CA -0.128 45.202 45.100 0.384 0.000 0.850 349 G HN 1.688 nan 8.290 nan 0.000 0.557 350 G N -1.107 107.777 108.800 0.140 0.000 2.623 350 G HA2 0.324 4.283 3.960 -0.001 0.000 0.214 350 G HA3 0.324 4.283 3.960 -0.001 0.000 0.214 350 G C 1.637 176.505 174.900 -0.053 0.000 1.138 350 G CA 1.624 46.755 45.100 0.052 0.000 0.794 350 G HN 1.130 nan 8.290 nan 0.000 0.535 351 L N -0.235 120.917 121.223 -0.118 0.000 2.357 351 L HA 0.498 4.837 4.340 -0.001 0.000 0.211 351 L C 1.184 177.835 176.870 -0.364 0.000 1.075 351 L CA 1.470 56.105 54.840 -0.342 0.000 0.830 351 L CB 0.395 41.987 42.059 -0.779 0.000 0.996 351 L HN 0.279 nan 8.230 nan 0.000 0.467 352 G N -0.752 107.856 108.800 -0.320 0.000 2.905 352 G HA2 0.435 4.394 3.960 -0.001 0.000 0.210 352 G HA3 0.435 4.394 3.960 -0.001 0.000 0.210 352 G C 0.211 174.798 174.900 -0.522 0.000 0.991 352 G CA -0.319 44.598 45.100 -0.305 0.000 1.210 352 G HN 1.014 nan 8.290 nan 0.000 0.602 353 G N -0.084 108.399 108.800 -0.529 0.000 2.373 353 G HA2 0.462 4.421 3.960 -0.001 0.000 0.634 353 G HA3 0.462 4.421 3.960 -0.001 0.000 0.634 353 G C 0.348 175.042 174.900 -0.343 0.000 1.267 353 G CA 0.501 44.971 45.100 -1.050 0.000 1.008 353 G HN 1.978 nan 8.290 nan 0.000 0.497 354 W N -1.842 119.199 121.300 -0.431 0.000 2.871 354 W HA 0.322 4.981 4.660 -0.001 0.000 0.245 354 W C 1.332 178.109 176.519 0.430 0.000 0.596 354 W CA 2.277 59.645 57.345 0.038 0.000 0.545 354 W CB -1.536 27.797 29.460 -0.213 0.000 2.089 354 W HN 3.036 nan 8.180 nan 0.000 0.386 355 G N -0.969 108.089 108.800 0.429 0.000 3.067 355 G HA2 0.466 4.426 3.960 -0.001 0.000 0.686 355 G HA3 0.466 4.426 3.960 -0.001 0.000 0.686 355 G C 0.461 175.380 174.900 0.033 0.000 1.119 355 G CA 0.552 45.800 45.100 0.247 0.000 0.790 355 G HN 1.781 nan 8.290 nan 0.000 0.605 356 G N 0.949 109.715 108.800 -0.057 0.000 2.475 356 G HA2 0.163 4.122 3.960 -0.001 0.000 0.220 356 G HA3 0.163 4.122 3.960 -0.001 0.000 0.220 356 G C 2.122 176.939 174.900 -0.138 0.000 1.125 356 G CA 2.539 47.603 45.100 -0.060 0.000 0.755 356 G HN 2.126 nan 8.290 nan 0.000 0.565 357 A N 0.369 122.962 122.820 -0.379 0.000 2.024 357 A HA -0.148 4.172 4.320 -0.001 0.000 0.220 357 A C 2.632 179.903 177.584 -0.522 0.000 1.164 357 A CA 2.032 53.680 52.037 -0.648 0.000 0.643 357 A CB -1.044 17.017 19.000 -1.565 0.000 0.806 357 A HN 1.015 nan 8.150 nan 0.000 0.451 358 C N -0.169 119.002 119.300 -0.214 0.000 2.468 358 C HA 0.179 4.638 4.460 -0.001 0.000 0.277 358 C C 1.524 176.551 174.990 0.060 0.000 1.400 358 C CA 0.284 59.352 59.018 0.083 0.000 1.770 358 C CB -1.127 26.845 27.740 0.388 0.000 1.905 358 C HN 0.610 nan 8.230 nan 0.000 0.519 359 R N 1.049 121.570 120.500 0.034 0.000 3.050 359 R HA 0.736 5.075 4.340 -0.001 0.000 0.275 359 R C -0.449 175.861 176.300 0.018 0.000 1.373 359 R CA 0.286 56.423 56.100 0.062 0.000 1.612 359 R CB 0.187 30.538 30.300 0.085 0.000 1.218 359 R HN 0.460 nan 8.270 nan 0.000 0.621 360 A N 0.654 123.466 122.820 -0.014 0.000 2.588 360 A HA 0.394 4.713 4.320 -0.001 0.000 0.290 360 A C 0.622 178.147 177.584 -0.100 0.000 1.136 360 A CA -0.415 51.608 52.037 -0.022 0.000 0.681 360 A CB 1.234 20.305 19.000 0.119 0.000 1.282 360 A HN 0.431 nan 8.150 nan 0.000 0.421 361 S N 0.056 115.566 115.700 -0.317 0.000 2.469 361 S HA -0.162 4.308 4.470 -0.001 0.000 0.238 361 S C 1.043 175.474 174.600 -0.282 0.000 0.998 361 S CA 1.761 59.538 58.200 -0.705 0.000 0.957 361 S CB -0.550 61.660 63.200 -1.650 0.000 0.764 361 S HN 1.123 nan 8.310 nan 0.000 0.514 362 H N -0.571 118.323 119.070 -0.294 0.000 2.542 362 H HA 0.459 5.014 4.556 -0.001 0.000 0.283 362 H C 1.603 176.829 175.328 -0.171 0.000 1.059 362 H CA -0.053 55.831 56.048 -0.273 0.000 1.162 362 H CB -0.992 28.571 29.762 -0.332 0.000 1.539 362 H HN 0.328 nan 8.280 nan 0.000 0.543 363 G N 1.830 110.460 108.800 -0.284 0.000 2.469 363 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.219 363 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.219 363 G C 1.663 176.480 174.900 -0.140 0.000 1.150 363 G CA 1.166 46.131 45.100 -0.224 0.000 0.763 363 G HN 0.429 nan 8.290 nan 0.000 0.561 364 I N 0.360 120.891 120.570 -0.065 0.000 2.202 364 I HA -0.094 4.075 4.170 -0.001 0.000 0.242 364 I C 2.616 178.653 176.117 -0.133 0.000 1.091 364 I CA 1.019 62.291 61.300 -0.047 0.000 1.368 364 I CB -0.107 37.940 38.000 0.078 0.000 1.058 364 I HN 0.081 nan 8.210 nan 0.000 0.410 365 E N -0.262 119.893 120.200 -0.075 0.000 2.208 365 E HA -0.229 4.121 4.350 -0.001 0.000 0.193 365 E C 1.617 178.164 176.600 -0.089 0.000 0.988 365 E CA 0.796 57.223 56.400 0.044 0.000 0.828 365 E CB -0.371 29.451 29.700 0.203 0.000 0.763 365 E HN 0.591 nan 8.360 nan 0.000 0.478 366 W N 1.928 122.988 121.300 -0.400 0.000 2.379 366 W HA -0.079 4.580 4.660 -0.001 0.000 0.307 366 W C 2.345 178.470 176.519 -0.655 0.000 1.200 366 W CA 2.203 59.275 57.345 -0.456 0.000 1.297 366 W CB -0.493 28.628 29.460 -0.565 0.000 1.140 366 W HN 0.034 nan 8.180 nan 0.000 0.507 367 A N 0.895 123.147 122.820 -0.947 0.000 1.908 367 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 367 A C 2.082 178.849 177.584 -1.361 0.000 1.181 367 A CA 1.909 52.943 52.037 -1.671 0.000 0.627 367 A CB -0.797 17.278 19.000 -1.542 0.000 0.818 367 A HN 0.400 nan 8.150 nan 0.000 0.445 368 R N -1.025 118.878 120.500 -0.995 0.000 2.148 368 R HA -0.073 4.266 4.340 -0.001 0.000 0.227 368 R C 2.325 177.872 176.300 -1.255 0.000 1.103 368 R CA 0.908 56.364 56.100 -1.072 0.000 0.983 368 R CB -0.484 29.246 30.300 -0.950 0.000 0.874 368 R HN 0.547 nan 8.270 nan 0.000 0.451 369 G N 0.833 108.980 108.800 -1.089 0.000 2.408 369 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 369 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 369 G C 1.419 175.905 174.900 -0.690 0.000 1.150 369 G CA 0.307 44.994 45.100 -0.689 0.000 0.776 369 G HN 0.053 nan 8.290 nan 0.000 0.542 370 M N 0.375 119.404 119.600 -0.952 0.000 2.132 370 M HA 0.132 4.611 4.480 -0.001 0.000 0.263 370 M C 2.604 178.618 176.300 -0.476 0.000 1.065 370 M CA 0.833 55.687 55.300 -0.743 0.000 1.122 370 M CB -0.944 31.087 32.600 -0.949 0.000 1.365 370 M HN 0.224 nan 8.290 nan 0.000 0.411 371 I N 0.125 120.284 120.570 -0.685 0.000 2.252 371 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 371 I C 2.613 178.472 176.117 -0.430 0.000 1.102 371 I CA 1.088 61.992 61.300 -0.660 0.000 1.385 371 I CB -0.612 36.746 38.000 -1.070 0.000 1.064 371 I HN 0.198 nan 8.210 nan 0.000 0.414 372 A N 0.814 123.317 122.820 -0.527 0.000 1.883 372 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 372 A C 2.162 179.769 177.584 0.039 0.000 1.186 372 A CA 1.545 53.395 52.037 -0.311 0.000 0.624 372 A CB -0.697 18.085 19.000 -0.364 0.000 0.822 372 A HN 0.279 nan 8.150 nan 0.000 0.444 373 L N -0.495 120.726 121.223 -0.003 0.000 2.027 373 L HA -0.066 4.273 4.340 -0.001 0.000 0.206 373 L C 2.989 179.992 176.870 0.221 0.000 1.074 373 L CA 1.881 56.811 54.840 0.150 0.000 0.745 373 L CB -1.232 40.810 42.059 -0.027 0.000 0.898 373 L HN 0.403 nan 8.230 nan 0.000 0.433 374 A N -1.636 121.287 122.820 0.173 0.000 1.933 374 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 374 A C 2.348 179.997 177.584 0.108 0.000 1.175 374 A CA 2.257 54.410 52.037 0.194 0.000 0.628 374 A CB -0.938 18.174 19.000 0.188 0.000 0.814 374 A HN 0.437 nan 8.150 nan 0.000 0.444 375 T N 0.048 114.684 114.554 0.138 0.000 2.701 375 T HA -0.136 4.213 4.350 -0.001 0.000 0.263 375 T C 1.928 176.680 174.700 0.087 0.000 1.040 375 T CA 1.743 63.970 62.100 0.212 0.000 1.147 375 T CB -0.320 68.753 68.868 0.343 0.000 0.865 375 T HN 0.437 nan 8.240 nan 0.000 0.426 376 M N 0.826 120.515 119.600 0.148 0.000 2.267 376 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 376 M C 1.808 178.055 176.300 -0.087 0.000 1.063 376 M CA 1.223 56.583 55.300 0.099 0.000 1.090 376 M CB -0.161 32.585 32.600 0.245 0.000 1.392 376 M HN 0.084 nan 8.290 nan 0.000 0.422 377 Q N -0.226 119.453 119.800 -0.201 0.000 2.246 377 Q HA 0.191 4.531 4.340 -0.001 0.000 0.202 377 Q C 0.657 176.427 176.000 -0.383 0.000 0.883 377 Q CA 0.421 56.042 55.803 -0.303 0.000 0.952 377 Q CB 0.517 29.128 28.738 -0.212 0.000 1.078 377 Q HN 0.648 nan 8.270 nan 0.000 0.493 378 G N 2.751 111.121 108.800 -0.716 0.000 2.326 378 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.286 378 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.286 378 G C 0.271 174.717 174.900 -0.757 0.000 1.096 378 G CA 0.451 44.700 45.100 -1.417 0.000 1.003 378 G HN 0.443 nan 8.290 nan 0.000 0.503 379 M N -0.900 118.461 119.600 -0.399 0.000 2.248 379 M HA 0.445 4.924 4.480 -0.001 0.000 0.343 379 M C 1.470 177.835 176.300 0.109 0.000 1.243 379 M CA 1.469 56.751 55.300 -0.029 0.000 1.025 379 M CB 0.742 33.427 32.600 0.142 0.000 1.759 379 M HN 1.690 nan 8.290 nan 0.000 0.452 380 G N 2.339 111.185 108.800 0.077 0.000 2.339 380 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.209 380 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.209 380 G C 0.022 174.957 174.900 0.057 0.000 1.015 380 G CA 0.116 45.276 45.100 0.099 0.000 0.635 380 G HN 1.051 nan 8.290 nan 0.000 0.499 381 K N 1.352 121.762 120.400 0.017 0.000 2.168 381 K HA 0.554 4.873 4.320 -0.001 0.000 0.258 381 K C -2.794 173.767 176.600 -0.066 0.000 1.010 381 K CA -1.490 54.784 56.287 -0.022 0.000 0.929 381 K CB 0.760 33.231 32.500 -0.048 0.000 0.998 381 K HN 0.072 nan 8.250 nan 0.000 0.479 382 P HA -0.019 nan 4.420 nan 0.000 0.263 382 P C 0.384 177.539 177.300 -0.241 0.000 1.195 382 P CA 1.207 64.186 63.100 -0.201 0.000 0.762 382 P CB 0.527 31.985 31.700 -0.404 0.000 0.799 383 G N 1.838 110.592 108.800 -0.077 0.000 2.179 383 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.260 383 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.260 383 G C 0.245 174.841 174.900 -0.507 0.000 0.977 383 G CA 0.225 45.261 45.100 -0.107 0.000 0.641 383 G HN 0.782 nan 8.290 nan 0.000 0.533 384 S N -0.080 115.327 115.700 -0.489 0.000 2.736 384 S HA 0.693 5.163 4.470 -0.001 0.000 0.285 384 S C -0.764 173.653 174.600 -0.305 0.000 1.163 384 S CA -0.082 57.843 58.200 -0.458 0.000 1.025 384 S CB 1.203 64.254 63.200 -0.247 0.000 1.030 384 S HN 0.667 nan 8.310 nan 0.000 0.486 385 N N 2.508 121.048 118.700 -0.266 0.000 3.356 385 N HA 0.283 5.022 4.740 -0.001 0.000 0.246 385 N C -1.891 173.746 175.510 0.213 0.000 1.480 385 N CA -0.523 52.565 53.050 0.064 0.000 0.877 385 N CB 1.457 40.067 38.487 0.205 0.000 1.431 385 N HN 0.670 nan 8.380 nan 0.000 0.500 386 M N 1.527 121.271 119.600 0.240 0.000 2.088 386 M HA 0.417 4.897 4.480 -0.001 0.000 0.346 386 M C -1.707 174.768 176.300 0.293 0.000 1.111 386 M CA -0.497 54.942 55.300 0.231 0.000 1.017 386 M CB 0.653 33.363 32.600 0.183 0.000 1.568 386 M HN 0.524 nan 8.290 nan 0.000 0.445 387 W N 3.438 124.766 121.300 0.047 0.000 3.405 387 W HA 0.389 5.048 4.660 -0.001 0.000 0.329 387 W C -1.158 175.283 176.519 -0.131 0.000 1.142 387 W CA -0.594 56.721 57.345 -0.050 0.000 1.235 387 W CB 1.582 31.012 29.460 -0.050 0.000 1.341 387 W HN 0.526 nan 8.180 nan 0.000 0.481 388 S N 2.371 117.809 115.700 -0.436 0.000 2.572 388 S HA 0.041 4.511 4.470 -0.001 0.000 0.228 388 S C 1.392 175.546 174.600 -0.744 0.000 0.963 388 S CA 0.858 58.757 58.200 -0.501 0.000 0.939 388 S CB -0.020 63.048 63.200 -0.219 0.000 0.804 388 S HN 1.045 nan 8.310 nan 0.000 0.480 389 T N -1.211 112.358 114.554 -1.643 0.000 6.974 389 T HA -0.289 4.060 4.350 -0.001 0.000 0.287 389 T C 1.136 175.536 174.700 -0.500 0.000 2.146 389 T CA 2.067 63.268 62.100 -1.499 0.000 3.451 389 T CB -2.667 65.616 68.868 -0.975 0.000 1.630 389 T HN 0.569 nan 8.240 nan 0.000 1.173 390 T N -2.416 111.939 114.554 -0.332 0.000 3.039 390 T HA 0.344 4.693 4.350 -0.001 0.000 0.250 390 T C 0.945 175.608 174.700 -0.062 0.000 1.052 390 T CA 0.385 62.392 62.100 -0.155 0.000 1.125 390 T CB 0.224 68.995 68.868 -0.162 0.000 0.908 390 T HN 0.789 nan 8.240 nan 0.000 0.473 391 Q N -0.038 119.762 119.800 0.000 0.000 2.527 391 Q HA 0.558 4.897 4.340 -0.001 0.000 0.220 391 Q C 0.779 176.887 176.000 0.179 0.000 1.014 391 Q CA -0.408 55.401 55.803 0.011 0.000 0.978 391 Q CB 1.205 29.867 28.738 -0.126 0.000 1.245 391 Q HN 0.433 nan 8.270 nan 0.000 0.513 392 G N -0.658 108.157 108.800 0.026 0.000 2.175 392 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.244 392 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.244 392 G C -0.008 174.876 174.900 -0.027 0.000 0.982 392 G CA 0.018 45.114 45.100 -0.006 0.000 0.641 392 G HN 0.342 nan 8.290 nan 0.000 0.527 393 V N 1.569 121.466 119.914 -0.028 0.000 2.585 393 V HA 0.272 4.391 4.120 -0.001 0.000 0.296 393 V C -0.955 174.991 176.094 -0.246 0.000 1.035 393 V CA -0.256 61.913 62.300 -0.219 0.000 1.084 393 V CB 1.128 32.877 31.823 -0.122 0.000 0.953 393 V HN 0.146 nan 8.190 nan 0.000 0.483 394 P HA 0.150 nan 4.420 nan 0.000 0.262 394 P C -0.116 176.904 177.300 -0.466 0.000 1.647 394 P CA 0.175 62.983 63.100 -0.486 0.000 0.865 394 P CB -0.219 31.191 31.700 -0.483 0.000 1.834 395 L N -0.344 120.664 121.223 -0.358 0.000 2.466 395 L HA 0.212 4.551 4.340 -0.001 0.000 0.257 395 L C 1.102 177.791 176.870 -0.301 0.000 1.189 395 L CA -0.539 54.219 54.840 -0.137 0.000 0.813 395 L CB 0.216 42.386 42.059 0.187 0.000 1.118 395 L HN -0.062 nan 8.230 nan 0.000 0.471 396 D N -0.002 120.357 120.400 -0.068 0.000 2.398 396 D HA 0.003 4.642 4.640 -0.001 0.000 0.250 396 D C 0.787 177.221 176.300 0.224 0.000 1.287 396 D CA 0.362 54.367 54.000 0.010 0.000 0.992 396 D CB 0.033 40.885 40.800 0.086 0.000 1.071 396 D HN 0.291 nan 8.370 nan 0.000 0.514 397 Y N 1.270 121.769 120.300 0.331 0.000 2.483 397 Y HA -0.108 4.441 4.550 -0.001 0.000 0.291 397 Y C 1.924 178.041 175.900 0.361 0.000 1.143 397 Y CA 0.277 58.634 58.100 0.428 0.000 1.289 397 Y CB 0.202 38.867 38.460 0.341 0.000 0.983 397 Y HN 0.391 nan 8.280 nan 0.000 0.556 398 E N -0.050 120.393 120.200 0.406 0.000 2.358 398 E HA -0.091 4.258 4.350 -0.001 0.000 0.195 398 E C -0.017 176.797 176.600 0.357 0.000 1.010 398 E CA -0.063 56.532 56.400 0.323 0.000 0.856 398 E CB 0.049 29.890 29.700 0.235 0.000 0.795 398 E HN 0.219 nan 8.360 nan 0.000 0.504 399 F N 1.163 121.261 119.950 0.245 0.000 2.427 399 F HA 0.163 4.690 4.527 -0.001 0.000 0.352 399 F C -0.513 175.464 175.800 0.295 0.000 1.100 399 F CA -0.825 57.318 58.000 0.239 0.000 1.191 399 F CB 0.424 39.520 39.000 0.161 0.000 1.128 399 F HN -0.162 nan 8.300 nan 0.000 0.533 400 Y N 7.887 127.887 120.300 -0.501 0.000 2.331 400 Y HA 0.496 5.045 4.550 -0.001 0.000 0.338 400 Y C -1.920 173.771 175.900 -0.348 0.000 0.976 400 Y CA -1.505 56.436 58.100 -0.265 0.000 1.137 400 Y CB 0.775 39.158 38.460 -0.128 0.000 1.172 400 Y HN 0.561 nan 8.280 nan 0.000 0.478 401 F N 8.759 128.163 119.950 -0.909 0.000 2.607 401 F HA 0.569 5.095 4.527 -0.001 0.000 0.322 401 F C -2.758 172.620 175.800 -0.703 0.000 1.176 401 F CA -2.595 54.963 58.000 -0.735 0.000 0.977 401 F CB 1.771 40.655 39.000 -0.193 0.000 1.242 401 F HN 0.390 nan 8.300 nan 0.000 0.465 402 P HA 0.238 nan 4.420 nan 0.000 0.268 402 P C -0.196 176.928 177.300 -0.294 0.000 1.204 402 P CA 0.050 62.719 63.100 -0.719 0.000 0.768 402 P CB 0.773 31.762 31.700 -1.184 0.000 0.842 403 G N 1.466 110.156 108.800 -0.183 0.000 2.502 403 G HA2 0.259 4.219 3.960 -0.001 0.000 0.305 403 G HA3 0.259 4.219 3.960 -0.001 0.000 0.305 403 G C 0.279 174.965 174.900 -0.357 0.000 1.190 403 G CA -0.535 44.436 45.100 -0.215 0.000 0.933 403 G HN 0.559 nan 8.290 nan 0.000 0.503 404 Y N -1.125 118.934 120.300 -0.402 0.000 2.333 404 Y HA 0.046 4.596 4.550 -0.001 0.000 0.290 404 Y C 2.419 178.024 175.900 -0.491 0.000 1.144 404 Y CA 0.958 58.725 58.100 -0.555 0.000 1.228 404 Y CB -0.787 36.975 38.460 -1.162 0.000 0.985 404 Y HN 0.349 nan 8.280 nan 0.000 0.542 405 A N 0.922 123.304 122.820 -0.731 0.000 2.172 405 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 405 A C 1.777 179.206 177.584 -0.259 0.000 1.154 405 A CA 1.086 52.738 52.037 -0.641 0.000 0.701 405 A CB -0.724 17.747 19.000 -0.881 0.000 0.789 405 A HN 0.651 nan 8.150 nan 0.000 0.465 406 E N -1.170 118.937 120.200 -0.155 0.000 2.463 406 E HA 0.247 4.596 4.350 -0.001 0.000 0.191 406 E C 1.286 177.977 176.600 0.151 0.000 1.083 406 E CA 0.243 56.667 56.400 0.039 0.000 0.872 406 E CB -0.196 29.524 29.700 0.034 0.000 0.966 406 E HN 0.709 nan 8.360 nan 0.000 0.491 407 G N 0.447 109.349 108.800 0.170 0.000 2.268 407 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.240 407 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.240 407 G C 0.917 176.015 174.900 0.330 0.000 1.010 407 G CA -0.060 45.220 45.100 0.299 0.000 0.618 407 G HN 0.717 nan 8.290 nan 0.000 0.516 408 G N 0.805 109.798 108.800 0.323 0.000 2.660 408 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.321 408 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.321 408 G C 1.364 176.554 174.900 0.483 0.000 1.246 408 G CA 2.425 47.802 45.100 0.461 0.000 1.000 408 G HN 1.976 nan 8.290 nan 0.000 0.550 409 I N 0.041 120.743 120.570 0.220 0.000 3.684 409 I HA 0.295 4.465 4.170 -0.001 0.000 0.304 409 I C 2.314 178.535 176.117 0.174 0.000 1.278 409 I CA 1.583 62.902 61.300 0.032 0.000 1.272 409 I CB 0.043 37.587 38.000 -0.759 0.000 1.029 409 I HN 0.511 nan 8.210 nan 0.000 0.458 410 S N 1.279 117.108 115.700 0.216 0.000 2.406 410 S HA 0.153 4.623 4.470 -0.001 0.000 0.224 410 S C 1.924 176.561 174.600 0.062 0.000 1.030 410 S CA 0.659 58.947 58.200 0.148 0.000 0.958 410 S CB -0.698 62.626 63.200 0.206 0.000 0.811 410 S HN 0.758 nan 8.310 nan 0.000 0.489 411 G N 1.811 110.717 108.800 0.177 0.000 2.168 411 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.257 411 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.257 411 G C -0.200 174.628 174.900 -0.120 0.000 0.997 411 G CA 0.379 45.467 45.100 -0.020 0.000 0.708 411 G HN 0.676 nan 8.290 nan 0.000 0.520 412 D N -0.010 120.374 120.400 -0.026 0.000 2.348 412 D HA 0.264 4.903 4.640 -0.001 0.000 0.259 412 D C 1.531 177.801 176.300 -0.050 0.000 1.296 412 D CA -0.058 53.892 54.000 -0.084 0.000 0.931 412 D CB -0.073 40.650 40.800 -0.128 0.000 1.067 412 D HN 0.188 nan 8.370 nan 0.000 0.503 413 C N 2.887 122.138 119.300 -0.081 0.000 2.500 413 C HA -0.004 4.455 4.460 -0.001 0.000 0.273 413 C C 2.108 177.102 174.990 0.008 0.000 1.428 413 C CA 0.010 59.007 59.018 -0.035 0.000 1.766 413 C CB -0.784 26.923 27.740 -0.056 0.000 1.817 413 C HN 0.728 nan 8.230 nan 0.000 0.543 414 E N 0.635 120.810 120.200 -0.041 0.000 2.389 414 E HA 0.031 4.380 4.350 -0.001 0.000 0.199 414 E C 1.265 177.839 176.600 -0.044 0.000 0.978 414 E CA 0.462 56.841 56.400 -0.034 0.000 0.912 414 E CB 0.113 29.766 29.700 -0.078 0.000 0.907 414 E HN 0.541 nan 8.360 nan 0.000 0.494 415 N N 0.423 119.061 118.700 -0.104 0.000 2.177 415 N HA 0.066 4.805 4.740 -0.001 0.000 0.218 415 N C -0.631 175.002 175.510 0.204 0.000 1.182 415 N CA 0.421 53.413 53.050 -0.097 0.000 0.882 415 N CB 1.530 39.660 38.487 -0.595 0.000 1.052 415 N HN 0.092 nan 8.380 nan 0.000 0.519 416 S N -1.393 114.441 115.700 0.223 0.000 2.625 416 S HA 0.630 5.099 4.470 -0.001 0.000 0.271 416 S C -0.331 174.410 174.600 0.235 0.000 1.161 416 S CA -0.712 57.686 58.200 0.331 0.000 0.820 416 S CB 1.708 65.122 63.200 0.357 0.000 1.137 416 S HN -0.033 nan 8.310 nan 0.000 0.470 417 A N 0.271 123.222 122.820 0.218 0.000 2.412 417 A HA 0.671 4.990 4.320 -0.001 0.000 0.253 417 A C 1.737 179.478 177.584 0.263 0.000 1.334 417 A CA 0.376 52.579 52.037 0.276 0.000 0.929 417 A CB -1.389 17.816 19.000 0.341 0.000 0.983 417 A HN 1.416 nan 8.150 nan 0.000 0.508 418 A N -0.221 122.708 122.820 0.182 0.000 1.978 418 A HA 0.051 4.370 4.320 -0.001 0.000 0.220 418 A C 2.210 179.754 177.584 -0.067 0.000 1.170 418 A CA 1.744 53.854 52.037 0.121 0.000 0.636 418 A CB -0.860 18.194 19.000 0.091 0.000 0.810 418 A HN 0.755 nan 8.150 nan 0.000 0.448 419 G N -1.624 107.162 108.800 -0.024 0.000 2.443 419 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 419 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 419 G C 1.344 176.357 174.900 0.188 0.000 1.131 419 G CA 0.964 46.050 45.100 -0.023 0.000 0.775 419 G HN 0.485 nan 8.290 nan 0.000 0.547 420 F N 0.566 120.510 119.950 -0.012 0.000 2.102 420 F HA 0.065 4.591 4.527 -0.001 0.000 0.298 420 F C 2.264 177.994 175.800 -0.116 0.000 1.105 420 F CA 2.249 60.139 58.000 -0.183 0.000 1.239 420 F CB 0.255 38.855 39.000 -0.667 0.000 0.991 420 F HN 0.181 nan 8.300 nan 0.000 0.474 421 K N -3.281 117.108 120.400 -0.018 0.000 2.948 421 K HA -0.049 4.270 4.320 -0.001 0.000 0.182 421 K C 1.769 178.357 176.600 -0.020 0.000 1.750 421 K CA 0.165 56.414 56.287 -0.063 0.000 1.390 421 K CB -0.934 31.392 32.500 -0.290 0.000 1.986 421 K HN 0.073 nan 8.250 nan 0.000 0.628 422 F N 2.761 122.671 119.950 -0.067 0.000 2.095 422 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 422 F C 1.989 177.668 175.800 -0.202 0.000 1.104 422 F CA 2.062 60.017 58.000 -0.073 0.000 1.232 422 F CB -0.445 38.549 39.000 -0.010 0.000 0.987 422 F HN 0.188 nan 8.300 nan 0.000 0.475 423 A N -0.186 122.381 122.820 -0.422 0.000 1.917 423 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 423 A C 2.135 179.404 177.584 -0.525 0.000 1.182 423 A CA 2.002 53.723 52.037 -0.527 0.000 0.633 423 A CB -1.823 16.684 19.000 -0.822 0.000 0.819 423 A HN 0.671 nan 8.150 nan 0.000 0.448 424 W N -0.823 120.400 121.300 -0.128 0.000 2.425 424 W HA -0.014 4.645 4.660 -0.001 0.000 0.277 424 W C 2.492 178.873 176.519 -0.230 0.000 1.231 424 W CA 0.783 58.034 57.345 -0.157 0.000 1.248 424 W CB -0.122 29.231 29.460 -0.179 0.000 1.117 424 W HN 0.207 nan 8.180 nan 0.000 0.568 425 R N -0.624 119.755 120.500 -0.201 0.000 2.100 425 R HA 0.001 4.340 4.340 -0.001 0.000 0.220 425 R C 2.101 178.107 176.300 -0.490 0.000 1.091 425 R CA 1.165 57.091 56.100 -0.290 0.000 0.986 425 R CB -0.421 29.726 30.300 -0.255 0.000 0.888 425 R HN 0.108 nan 8.270 nan 0.000 0.444 426 M N -0.278 118.806 119.600 -0.859 0.000 2.236 426 M HA 0.092 4.571 4.480 -0.001 0.000 0.266 426 M C -0.441 175.274 176.300 -0.976 0.000 1.070 426 M CA 1.498 56.148 55.300 -1.083 0.000 1.137 426 M CB 0.485 32.065 32.600 -1.699 0.000 1.378 426 M HN -0.184 nan 8.290 nan 0.000 0.426 427 F N 0.269 120.029 119.950 -0.316 0.000 2.492 427 F HA 0.310 4.836 4.527 -0.001 0.000 0.327 427 F C 0.669 176.348 175.800 -0.202 0.000 1.079 427 F CA -0.927 56.930 58.000 -0.238 0.000 0.967 427 F CB 1.033 39.906 39.000 -0.211 0.000 1.169 427 F HN 0.150 nan 8.300 nan 0.000 0.472 428 D N -0.642 119.711 120.400 -0.080 0.000 2.469 428 D HA 0.170 4.809 4.640 -0.001 0.000 0.213 428 D C 1.458 177.684 176.300 -0.123 0.000 1.135 428 D CA 0.298 54.236 54.000 -0.104 0.000 0.834 428 D CB 0.313 41.030 40.800 -0.138 0.000 1.009 428 D HN 0.780 nan 8.370 nan 0.000 0.507 429 G N 0.821 109.493 108.800 -0.213 0.000 2.203 429 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.263 429 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.263 429 G C 0.837 175.666 174.900 -0.119 0.000 1.012 429 G CA 1.080 46.094 45.100 -0.142 0.000 0.749 429 G HN 0.497 nan 8.290 nan 0.000 0.512 430 K N -2.351 117.854 120.400 -0.324 0.000 2.735 430 K HA 0.143 4.462 4.320 -0.001 0.000 0.197 430 K C 2.290 178.845 176.600 -0.076 0.000 1.468 430 K CA 0.901 57.137 56.287 -0.085 0.000 1.109 430 K CB 0.225 32.691 32.500 -0.058 0.000 1.732 430 K HN 0.378 nan 8.250 nan 0.000 0.541 431 T N -2.066 112.338 114.554 -0.250 0.000 2.959 431 T HA 0.107 4.456 4.350 -0.001 0.000 0.254 431 T C 0.521 175.137 174.700 -0.140 0.000 1.003 431 T CA 0.032 62.072 62.100 -0.100 0.000 0.950 431 T CB 0.777 69.593 68.868 -0.086 0.000 1.090 431 T HN 0.002 nan 8.240 nan 0.000 0.503 432 T N 0.938 115.235 114.554 -0.428 0.000 2.916 432 T HA 0.668 5.017 4.350 -0.001 0.000 0.298 432 T C -2.113 172.406 174.700 -0.301 0.000 1.031 432 T CA -0.715 61.299 62.100 -0.143 0.000 0.993 432 T CB 0.923 69.759 68.868 -0.053 0.000 1.045 432 T HN 0.157 nan 8.240 nan 0.000 0.454 433 F N 3.797 123.950 119.950 0.337 0.000 2.576 433 F HA 0.628 5.154 4.527 -0.001 0.000 0.313 433 F C -2.243 173.431 175.800 -0.210 0.000 1.078 433 F CA -2.314 55.745 58.000 0.097 0.000 0.921 433 F CB 1.549 40.564 39.000 0.025 0.000 1.232 433 F HN 0.350 nan 8.300 nan 0.000 0.459 434 P HA 0.189 nan 4.420 nan 0.000 0.275 434 P C -0.857 176.298 177.300 -0.242 0.000 1.266 434 P CA -0.546 62.067 63.100 -0.812 0.000 0.793 434 P CB 0.884 32.054 31.700 -0.883 0.000 1.074 435 S N 0.913 116.505 115.700 -0.179 0.000 2.399 435 S HA 0.403 4.872 4.470 -0.001 0.000 0.215 435 S C -2.580 171.957 174.600 -0.106 0.000 1.456 435 S CA -1.724 56.429 58.200 -0.079 0.000 1.199 435 S CB -0.247 62.947 63.200 -0.010 0.000 1.063 435 S HN 0.202 nan 8.310 nan 0.000 0.476 436 P HA 0.303 nan 4.420 nan 0.000 0.276 436 P C -0.742 176.491 177.300 -0.112 0.000 1.244 436 P CA -0.487 62.540 63.100 -0.121 0.000 0.801 436 P CB 1.372 33.011 31.700 -0.101 0.000 1.006 437 S N 0.869 116.486 115.700 -0.138 0.000 2.519 437 S HA 0.284 4.753 4.470 -0.001 0.000 0.309 437 S C 0.804 175.334 174.600 -0.116 0.000 1.100 437 S CA -0.727 57.394 58.200 -0.132 0.000 1.059 437 S CB -0.067 63.015 63.200 -0.196 0.000 1.008 437 S HN 0.482 nan 8.310 nan 0.000 0.478 438 N N 5.331 123.986 118.700 -0.076 0.000 2.270 438 N HA 0.130 4.869 4.740 -0.001 0.000 0.198 438 N C 0.742 176.224 175.510 -0.046 0.000 1.117 438 N CA 0.121 53.145 53.050 -0.042 0.000 0.845 438 N CB -0.079 38.407 38.487 -0.002 0.000 0.980 438 N HN 0.582 nan 8.380 nan 0.000 0.486 439 L N -0.941 120.207 121.223 -0.124 0.000 2.526 439 L HA 0.221 4.560 4.340 -0.001 0.000 0.210 439 L C 0.411 177.116 176.870 -0.275 0.000 1.048 439 L CA 0.007 54.728 54.840 -0.200 0.000 0.852 439 L CB -0.047 41.876 42.059 -0.226 0.000 1.128 439 L HN 0.008 nan 8.230 nan 0.000 0.482 440 N N 1.256 119.751 118.700 -0.342 0.000 3.178 440 N HA 0.056 4.795 4.740 -0.001 0.000 0.300 440 N C -0.642 174.730 175.510 -0.230 0.000 1.242 440 N CA 0.384 53.228 53.050 -0.343 0.000 1.192 440 N CB 0.012 38.187 38.487 -0.520 0.000 1.463 440 N HN 0.042 nan 8.380 nan 0.000 0.539 441 T N -0.964 113.503 114.554 -0.145 0.000 2.853 441 T HA 0.253 4.603 4.350 -0.001 0.000 0.311 441 T C 0.939 175.630 174.700 -0.015 0.000 1.307 441 T CA -0.495 61.550 62.100 -0.091 0.000 1.019 441 T CB 0.894 69.720 68.868 -0.070 0.000 1.264 441 T HN 0.108 nan 8.240 nan 0.000 0.497 442 S N 1.363 117.071 115.700 0.013 0.000 2.374 442 S HA -0.103 4.366 4.470 -0.001 0.000 0.227 442 S C 2.032 176.753 174.600 0.202 0.000 1.037 442 S CA 1.722 60.018 58.200 0.160 0.000 1.024 442 S CB -0.484 62.747 63.200 0.050 0.000 0.861 442 S HN 0.838 nan 8.310 nan 0.000 0.456 443 A N 0.627 123.506 122.820 0.099 0.000 2.238 443 A HA 0.462 4.781 4.320 -0.001 0.000 0.208 443 A C 1.303 178.986 177.584 0.166 0.000 1.177 443 A CA 0.740 52.852 52.037 0.125 0.000 0.804 443 A CB -0.460 18.590 19.000 0.084 0.000 0.823 443 A HN 0.487 nan 8.150 nan 0.000 0.482 444 G N -0.921 107.927 108.800 0.080 0.000 3.227 444 G HA2 0.464 4.424 3.960 -0.001 0.000 0.171 444 G HA3 0.464 4.424 3.960 -0.001 0.000 0.171 444 G C -0.225 174.501 174.900 -0.289 0.000 1.463 444 G CA -0.076 44.957 45.100 -0.112 0.000 1.016 444 G HN 0.393 nan 8.290 nan 0.000 0.594 445 Q N -0.330 119.209 119.800 -0.435 0.000 2.289 445 Q HA 0.427 4.766 4.340 -0.001 0.000 0.270 445 Q C -1.548 174.435 176.000 -0.028 0.000 1.038 445 Q CA -0.899 54.767 55.803 -0.229 0.000 0.812 445 Q CB 1.675 30.161 28.738 -0.419 0.000 1.300 445 Q HN 0.911 nan 8.270 nan 0.000 0.427 446 H N 3.254 122.355 119.070 0.052 0.000 2.990 446 H HA 0.714 5.270 4.556 -0.001 0.000 0.343 446 H C -1.264 174.144 175.328 0.133 0.000 1.270 446 H CA -0.893 55.176 56.048 0.034 0.000 1.118 446 H CB 1.492 31.261 29.762 0.012 0.000 1.861 446 H HN 0.732 nan 8.280 nan 0.000 0.544 447 I N -1.973 118.455 120.570 -0.237 0.000 2.969 447 I HA 0.571 4.740 4.170 -0.001 0.000 0.307 447 I C -3.230 172.581 176.117 -0.510 0.000 1.149 447 I CA -2.894 58.060 61.300 -0.577 0.000 1.008 447 I CB 2.983 40.604 38.000 -0.633 0.000 1.232 447 I HN 0.181 nan 8.210 nan 0.000 0.435 448 P HA 0.241 nan 4.420 nan 0.000 0.276 448 P C 0.126 177.235 177.300 -0.318 0.000 1.235 448 P CA -0.354 62.466 63.100 -0.467 0.000 0.772 448 P CB 1.087 32.448 31.700 -0.565 0.000 0.871 449 R N 3.712 124.120 120.500 -0.153 0.000 2.117 449 R HA -0.131 4.208 4.340 -0.001 0.000 0.243 449 R C 1.490 177.711 176.300 -0.131 0.000 1.143 449 R CA 1.558 57.589 56.100 -0.116 0.000 0.968 449 R CB -0.655 29.622 30.300 -0.039 0.000 0.863 449 R HN 0.441 nan 8.270 nan 0.000 0.444 450 L N 0.291 121.452 121.223 -0.103 0.000 2.362 450 L HA -0.085 4.254 4.340 -0.001 0.000 0.219 450 L C 1.188 177.903 176.870 -0.259 0.000 1.134 450 L CA 0.970 55.761 54.840 -0.082 0.000 0.807 450 L CB -0.003 42.072 42.059 0.027 0.000 0.927 450 L HN 0.075 nan 8.230 nan 0.000 0.447 451 K N -0.440 119.704 120.400 -0.427 0.000 2.564 451 K HA 0.298 4.617 4.320 -0.001 0.000 0.205 451 K C 1.369 177.540 176.600 -0.715 0.000 1.053 451 K CA -0.042 55.822 56.287 -0.705 0.000 1.072 451 K CB 0.710 32.551 32.500 -1.099 0.000 0.822 451 K HN 0.200 nan 8.250 nan 0.000 0.497 452 I N 1.677 121.894 120.570 -0.588 0.000 2.163 452 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 452 I C -0.847 174.882 176.117 -0.647 0.000 1.085 452 I CA 1.491 62.441 61.300 -0.585 0.000 1.347 452 I CB -1.115 36.641 38.000 -0.406 0.000 1.044 452 I HN 0.039 nan 8.210 nan 0.000 0.408 453 P HA -0.168 nan 4.420 nan 0.000 0.215 453 P C 1.263 178.250 177.300 -0.522 0.000 1.153 453 P CA 1.405 64.102 63.100 -0.670 0.000 0.853 453 P CB 0.048 31.271 31.700 -0.795 0.000 0.788 454 E N -1.319 118.552 120.200 -0.549 0.000 2.107 454 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 454 E C 2.075 178.468 176.600 -0.345 0.000 0.982 454 E CA 0.958 57.094 56.400 -0.439 0.000 0.809 454 E CB -1.362 27.992 29.700 -0.577 0.000 0.756 454 E HN 0.227 nan 8.360 nan 0.000 0.459 455 C N 0.188 119.220 119.300 -0.447 0.000 2.446 455 C HA -0.008 4.452 4.460 -0.001 0.000 0.277 455 C C 2.522 177.364 174.990 -0.246 0.000 1.275 455 C CA 0.254 59.065 59.018 -0.346 0.000 1.727 455 C CB -0.789 26.459 27.740 -0.820 0.000 2.010 455 C HN 0.375 nan 8.230 nan 0.000 0.486 456 I N 0.391 120.727 120.570 -0.390 0.000 2.233 456 I HA -0.210 3.959 4.170 -0.001 0.000 0.243 456 I C 2.510 178.306 176.117 -0.535 0.000 1.093 456 I CA 1.683 62.757 61.300 -0.377 0.000 1.380 456 I CB -0.351 37.403 38.000 -0.411 0.000 1.067 456 I HN 0.322 nan 8.210 nan 0.000 0.413 457 M N -0.199 119.083 119.600 -0.531 0.000 2.334 457 M HA 0.035 4.514 4.480 -0.001 0.000 0.266 457 M C 2.098 178.221 176.300 -0.296 0.000 1.082 457 M CA 1.414 56.345 55.300 -0.615 0.000 1.141 457 M CB -0.350 32.069 32.600 -0.301 0.000 1.380 457 M HN 0.291 nan 8.290 nan 0.000 0.440 458 G N -0.959 107.739 108.800 -0.170 0.000 2.719 458 G HA2 0.273 4.232 3.960 -0.001 0.000 0.211 458 G HA3 0.273 4.232 3.960 -0.001 0.000 0.211 458 G C 1.184 176.101 174.900 0.029 0.000 1.140 458 G CA 0.553 45.633 45.100 -0.033 0.000 0.790 458 G HN 0.562 nan 8.290 nan 0.000 0.529 459 G N -0.553 108.278 108.800 0.051 0.000 2.168 459 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.263 459 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.263 459 G C 0.145 175.148 174.900 0.172 0.000 0.977 459 G CA 0.989 46.171 45.100 0.136 0.000 0.659 459 G HN 0.845 nan 8.290 nan 0.000 0.533 460 K N -1.445 119.116 120.400 0.268 0.000 2.578 460 K HA 0.691 5.010 4.320 -0.001 0.000 0.269 460 K C -2.015 174.878 176.600 0.489 0.000 0.941 460 K CA -0.985 55.486 56.287 0.306 0.000 0.847 460 K CB 1.425 34.014 32.500 0.149 0.000 1.397 460 K HN 0.382 nan 8.250 nan 0.000 0.422 461 F N 1.252 121.405 119.950 0.338 0.000 2.744 461 F HA 0.378 4.904 4.527 -0.001 0.000 0.311 461 F C -1.858 174.234 175.800 0.487 0.000 1.144 461 F CA -0.439 57.780 58.000 0.365 0.000 0.938 461 F CB 2.034 41.227 39.000 0.322 0.000 1.292 461 F HN 0.431 nan 8.300 nan 0.000 0.444 462 Q N 3.246 122.901 119.800 -0.242 0.000 2.289 462 Q HA 0.484 4.823 4.340 -0.001 0.000 0.270 462 Q C -1.945 174.015 176.000 -0.066 0.000 1.038 462 Q CA -0.387 55.354 55.803 -0.104 0.000 0.812 462 Q CB 2.799 31.461 28.738 -0.127 0.000 1.300 462 Q HN 0.787 nan 8.270 nan 0.000 0.427 463 W N 1.105 122.418 121.300 0.020 0.000 2.940 463 W HA 0.750 5.409 4.660 -0.001 0.000 0.394 463 W C -1.471 175.241 176.519 0.323 0.000 1.155 463 W CA -0.791 56.649 57.345 0.158 0.000 1.165 463 W CB 0.444 30.097 29.460 0.322 0.000 1.492 463 W HN 0.327 nan 8.180 nan 0.000 0.593 464 S N 1.042 117.068 115.700 0.543 0.000 2.472 464 S HA 0.750 5.219 4.470 -0.001 0.000 0.303 464 S C 0.059 175.143 174.600 0.806 0.000 1.099 464 S CA 0.140 58.658 58.200 0.529 0.000 1.077 464 S CB 0.923 64.406 63.200 0.472 0.000 1.031 464 S HN 1.618 nan 8.310 nan 0.000 0.487 465 G N 1.941 111.235 108.800 0.823 0.000 2.785 465 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.685 465 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.685 465 G C -0.823 174.419 174.900 0.570 0.000 1.480 465 G CA -0.645 44.919 45.100 0.773 0.000 0.915 465 G HN 0.744 nan 8.290 nan 0.000 0.576 466 K N 1.393 121.922 120.400 0.214 0.000 2.507 466 K HA 0.571 4.890 4.320 -0.001 0.000 0.253 466 K C 1.359 177.942 176.600 -0.027 0.000 0.969 466 K CA 0.527 56.704 56.287 -0.182 0.000 0.908 466 K CB 0.491 32.594 32.500 -0.661 0.000 1.127 466 K HN 2.378 nan 8.250 nan 0.000 0.437 467 G N 3.502 112.346 108.800 0.073 0.000 2.651 467 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.315 467 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.315 467 G C -0.489 174.594 174.900 0.305 0.000 1.258 467 G CA 0.182 45.373 45.100 0.151 0.000 1.002 467 G HN 0.532 nan 8.290 nan 0.000 0.551 468 F N 2.554 122.479 119.950 -0.040 0.000 2.404 468 F HA 0.598 5.124 4.527 -0.001 0.000 0.359 468 F C 1.184 176.990 175.800 0.010 0.000 1.134 468 F CA -0.957 56.975 58.000 -0.113 0.000 1.160 468 F CB 0.712 39.611 39.000 -0.168 0.000 1.186 468 F HN 0.697 nan 8.300 nan 0.000 0.526 469 A N 2.707 125.688 122.820 0.268 0.000 3.168 469 A HA 0.476 4.796 4.320 -0.001 0.000 0.260 469 A C 1.568 179.195 177.584 0.071 0.000 1.598 469 A CA 0.166 52.319 52.037 0.193 0.000 1.285 469 A CB -0.948 18.144 19.000 0.154 0.000 1.149 469 A HN 0.829 nan 8.150 nan 0.000 0.630 470 G N -0.299 108.564 108.800 0.105 0.000 2.985 470 G HA2 0.211 4.170 3.960 -0.001 0.000 0.209 470 G HA3 0.211 4.170 3.960 -0.001 0.000 0.209 470 G C 1.168 176.111 174.900 0.073 0.000 1.165 470 G CA 0.780 45.903 45.100 0.039 0.000 0.776 470 G HN 0.666 nan 8.290 nan 0.000 0.541 471 G N -0.184 108.685 108.800 0.115 0.000 2.421 471 G HA2 0.065 4.024 3.960 -0.001 0.000 0.216 471 G HA3 0.065 4.024 3.960 -0.001 0.000 0.216 471 G C 0.366 175.090 174.900 -0.293 0.000 1.171 471 G CA 1.162 46.296 45.100 0.057 0.000 0.775 471 G HN 0.482 nan 8.290 nan 0.000 0.543 472 D N -3.148 116.811 120.400 -0.734 0.000 2.622 472 D HA 0.272 4.911 4.640 -0.001 0.000 0.255 472 D C 1.293 177.364 176.300 -0.382 0.000 1.246 472 D CA -0.776 52.907 54.000 -0.528 0.000 0.795 472 D CB 0.457 40.890 40.800 -0.612 0.000 1.369 472 D HN -0.094 nan 8.370 nan 0.000 0.425 473 I N 0.252 120.689 120.570 -0.221 0.000 2.194 473 I HA -0.234 3.935 4.170 -0.001 0.000 0.246 473 I C 1.522 177.557 176.117 -0.137 0.000 1.093 473 I CA 1.205 62.380 61.300 -0.208 0.000 1.355 473 I CB -0.179 37.753 38.000 -0.114 0.000 1.046 473 I HN 0.208 nan 8.210 nan 0.000 0.413 474 S N -1.377 114.299 115.700 -0.041 0.000 2.575 474 S HA 0.028 4.497 4.470 -0.001 0.000 0.215 474 S C 1.464 176.154 174.600 0.150 0.000 0.966 474 S CA -0.113 58.116 58.200 0.048 0.000 0.911 474 S CB -0.427 62.812 63.200 0.065 0.000 0.780 474 S HN 0.496 nan 8.310 nan 0.000 0.514 475 H N 2.084 121.161 119.070 0.011 0.000 2.421 475 H HA -0.130 4.425 4.556 -0.001 0.000 0.298 475 H C 2.409 177.812 175.328 0.125 0.000 1.087 475 H CA 1.359 57.447 56.048 0.066 0.000 1.330 475 H CB 0.064 29.857 29.762 0.052 0.000 1.388 475 H HN 0.593 nan 8.280 nan 0.000 0.526 476 Q N 1.042 120.949 119.800 0.179 0.000 2.437 476 Q HA -0.076 4.263 4.340 -0.001 0.000 0.210 476 Q C 1.587 177.759 176.000 0.287 0.000 0.972 476 Q CA 0.889 56.817 55.803 0.209 0.000 0.903 476 Q CB -0.092 28.622 28.738 -0.039 0.000 0.967 476 Q HN 0.501 nan 8.270 nan 0.000 0.486 477 L N 0.169 121.443 121.223 0.085 0.000 2.509 477 L HA 0.121 4.460 4.340 -0.001 0.000 0.222 477 L C 1.337 178.179 176.870 -0.045 0.000 1.123 477 L CA -0.271 54.464 54.840 -0.175 0.000 0.856 477 L CB -0.360 41.366 42.059 -0.555 0.000 0.985 477 L HN 0.354 nan 8.230 nan 0.000 0.456 478 H N 2.140 121.214 119.070 0.007 0.000 2.897 478 H HA 0.062 4.617 4.556 -0.001 0.000 0.347 478 H C -0.278 174.935 175.328 -0.192 0.000 1.068 478 H CA 0.337 56.315 56.048 -0.115 0.000 1.426 478 H CB 0.819 30.498 29.762 -0.139 0.000 1.410 478 H HN 0.084 nan 8.280 nan 0.000 0.597 479 Q N 4.630 124.065 119.800 -0.609 0.000 2.257 479 Q HA 0.214 4.553 4.340 -0.001 0.000 0.255 479 Q C -0.902 174.728 176.000 -0.617 0.000 0.920 479 Q CA -0.326 55.239 55.803 -0.398 0.000 0.927 479 Q CB 1.243 29.834 28.738 -0.244 0.000 1.229 479 Q HN 0.506 nan 8.270 nan 0.000 0.433 480 Y N -0.019 120.025 120.300 -0.426 0.000 2.602 480 Y HA 0.422 4.972 4.550 -0.001 0.000 0.342 480 Y C 0.345 175.675 175.900 -0.949 0.000 1.029 480 Y CA -0.961 56.740 58.100 -0.665 0.000 1.080 480 Y CB 1.909 39.829 38.460 -0.900 0.000 1.284 480 Y HN 0.519 nan 8.280 nan 0.000 0.485 481 E N 0.341 120.239 120.200 -0.505 0.000 2.408 481 E HA 0.479 4.828 4.350 -0.001 0.000 0.275 481 E C -2.253 174.418 176.600 0.117 0.000 0.935 481 E CA -1.110 55.145 56.400 -0.241 0.000 0.775 481 E CB 2.995 32.650 29.700 -0.074 0.000 1.277 481 E HN 0.573 nan 8.360 nan 0.000 0.455 482 Y N 1.833 122.297 120.300 0.273 0.000 2.373 482 Y HA 0.425 4.974 4.550 -0.001 0.000 0.336 482 Y C -2.810 173.211 175.900 0.202 0.000 0.979 482 Y CA -2.336 55.952 58.100 0.314 0.000 1.080 482 Y CB 2.175 40.899 38.460 0.440 0.000 1.190 482 Y HN 0.404 nan 8.280 nan 0.000 0.446 483 P HA 0.252 nan 4.420 nan 0.000 0.274 483 P C -0.826 176.463 177.300 -0.019 0.000 1.231 483 P CA -0.143 62.648 63.100 -0.516 0.000 0.790 483 P CB 1.220 32.640 31.700 -0.468 0.000 0.951 484 A N 4.339 127.253 122.820 0.157 0.000 2.407 484 A HA 0.367 4.686 4.320 -0.001 0.000 0.248 484 A C -2.067 175.663 177.584 0.243 0.000 1.082 484 A CA -1.422 50.749 52.037 0.223 0.000 0.785 484 A CB -1.449 17.715 19.000 0.274 0.000 1.020 484 A HN 0.405 nan 8.150 nan 0.000 0.489 485 P HA 0.119 nan 4.420 nan 0.000 0.257 485 P C 1.082 178.404 177.300 0.037 0.000 1.162 485 P CA 2.251 65.404 63.100 0.089 0.000 0.762 485 P CB 0.258 31.998 31.700 0.067 0.000 0.753 486 G N 1.531 110.309 108.800 -0.038 0.000 2.234 486 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 486 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 486 G C -0.033 174.716 174.900 -0.252 0.000 0.987 486 G CA -0.268 44.731 45.100 -0.168 0.000 0.625 486 G HN 0.454 nan 8.290 nan 0.000 0.532 487 Y N 0.795 121.116 120.300 0.036 0.000 2.392 487 Y HA 0.663 5.212 4.550 -0.001 0.000 0.323 487 Y C 1.007 176.930 175.900 0.037 0.000 1.291 487 Y CA 0.104 58.235 58.100 0.052 0.000 1.345 487 Y CB 1.528 40.031 38.460 0.071 0.000 1.320 487 Y HN 0.165 nan 8.280 nan 0.000 0.518 488 S N 0.806 116.664 115.700 0.264 0.000 2.617 488 S HA 0.371 4.840 4.470 -0.001 0.000 0.283 488 S C -0.555 174.112 174.600 0.112 0.000 1.189 488 S CA -0.904 57.392 58.200 0.160 0.000 1.036 488 S CB 0.436 63.762 63.200 0.211 0.000 1.014 488 S HN 0.548 nan 8.310 nan 0.000 0.522 489 K N 2.151 122.560 120.400 0.015 0.000 2.180 489 K HA 0.258 4.578 4.320 -0.001 0.000 0.251 489 K C -0.042 176.623 176.600 0.109 0.000 1.014 489 K CA -0.568 55.744 56.287 0.041 0.000 0.913 489 K CB 0.245 32.729 32.500 -0.026 0.000 1.008 489 K HN 0.499 nan 8.250 nan 0.000 0.490 490 I N 2.842 123.533 120.570 0.201 0.000 2.648 490 I HA -0.061 4.108 4.170 -0.001 0.000 0.284 490 I C 1.186 177.322 176.117 0.033 0.000 1.153 490 I CA 0.648 62.003 61.300 0.091 0.000 1.426 490 I CB 0.553 38.550 38.000 -0.006 0.000 1.381 490 I HN 0.594 nan 8.210 nan 0.000 0.571 491 K N 4.899 125.329 120.400 0.051 0.000 2.474 491 K HA 0.319 4.638 4.320 -0.001 0.000 0.202 491 K C 0.193 176.902 176.600 0.181 0.000 1.248 491 K CA 0.392 56.712 56.287 0.056 0.000 0.946 491 K CB 0.970 33.456 32.500 -0.024 0.000 1.102 491 K HN 0.590 nan 8.250 nan 0.000 0.541 492 M N -0.101 119.636 119.600 0.228 0.000 2.518 492 M HA 0.428 4.907 4.480 -0.001 0.000 0.300 492 M C -1.821 174.694 176.300 0.358 0.000 1.175 492 M CA -0.740 54.753 55.300 0.323 0.000 0.890 492 M CB 2.362 35.197 32.600 0.392 0.000 1.710 492 M HN -0.029 nan 8.290 nan 0.000 0.453 493 F N 4.767 124.804 119.950 0.145 0.000 2.553 493 F HA 0.395 4.921 4.527 -0.001 0.000 0.335 493 F C -1.796 174.110 175.800 0.176 0.000 1.148 493 F CA -0.693 57.402 58.000 0.159 0.000 0.963 493 F CB 1.169 40.232 39.000 0.105 0.000 1.217 493 F HN 0.695 nan 8.300 nan 0.000 0.441 494 W N 9.034 130.555 121.300 0.368 0.000 2.288 494 W HA 0.342 5.002 4.660 -0.001 0.000 0.325 494 W C -1.102 175.435 176.519 0.030 0.000 1.019 494 W CA -1.014 56.401 57.345 0.117 0.000 1.403 494 W CB 0.913 30.484 29.460 0.186 0.000 1.226 494 W HN 0.502 nan 8.180 nan 0.000 0.391 495 K N 4.552 125.010 120.400 0.095 0.000 2.205 495 K HA 0.110 4.429 4.320 -0.001 0.000 0.279 495 K C -1.292 175.448 176.600 0.234 0.000 1.027 495 K CA -0.677 55.579 56.287 -0.052 0.000 0.932 495 K CB 1.838 34.106 32.500 -0.387 0.000 1.032 495 K HN 0.316 nan 8.250 nan 0.000 0.466 496 Y N 1.758 122.084 120.300 0.044 0.000 2.464 496 Y HA 0.322 4.872 4.550 -0.001 0.000 0.326 496 Y C 0.253 176.106 175.900 -0.079 0.000 0.969 496 Y CA 0.460 58.576 58.100 0.028 0.000 1.270 496 Y CB 0.768 39.199 38.460 -0.048 0.000 1.103 496 Y HN 0.941 nan 8.280 nan 0.000 0.491 497 G N 2.897 111.629 108.800 -0.114 0.000 2.796 497 G HA2 0.186 4.146 3.960 -0.001 0.000 0.571 497 G HA3 0.186 4.146 3.960 -0.001 0.000 0.571 497 G C -0.092 174.704 174.900 -0.173 0.000 1.370 497 G CA -0.357 44.669 45.100 -0.125 0.000 0.856 497 G HN 1.492 nan 8.290 nan 0.000 0.538 498 G N -1.092 107.592 108.800 -0.194 0.000 4.485 498 G HA2 0.712 4.671 3.960 -0.001 0.000 0.238 498 G HA3 0.712 4.671 3.960 -0.001 0.000 0.238 498 G C -1.303 173.454 174.900 -0.238 0.000 1.216 498 G CA 0.711 45.659 45.100 -0.254 0.000 0.611 498 G HN 0.755 nan 8.290 nan 0.000 0.422 499 P HA 0.049 nan 4.420 nan 0.000 0.264 499 P C 0.899 178.095 177.300 -0.173 0.000 1.259 499 P CA 0.287 63.272 63.100 -0.191 0.000 0.841 499 P CB 0.293 31.911 31.700 -0.136 0.000 1.232 500 H N 0.323 119.217 119.070 -0.294 0.000 2.426 500 H HA -0.069 4.486 4.556 -0.001 0.000 0.298 500 H C 1.923 176.915 175.328 -0.559 0.000 1.107 500 H CA 0.587 56.334 56.048 -0.502 0.000 1.298 500 H CB -0.407 28.955 29.762 -0.667 0.000 1.377 500 H HN 0.098 nan 8.280 nan 0.000 0.519 501 L N -0.318 120.728 121.223 -0.295 0.000 2.191 501 L HA -0.092 4.248 4.340 -0.001 0.000 0.212 501 L C 2.540 179.239 176.870 -0.285 0.000 1.103 501 L CA 1.059 55.696 54.840 -0.339 0.000 0.769 501 L CB -0.023 41.773 42.059 -0.440 0.000 0.908 501 L HN 0.340 nan 8.230 nan 0.000 0.438 502 G N -1.872 106.779 108.800 -0.250 0.000 2.939 502 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.216 502 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.216 502 G C 1.398 176.161 174.900 -0.229 0.000 1.125 502 G CA 0.776 45.731 45.100 -0.242 0.000 0.766 502 G HN 0.378 nan 8.290 nan 0.000 0.541 503 T N -3.134 111.274 114.554 -0.244 0.000 2.971 503 T HA 0.371 4.720 4.350 -0.001 0.000 0.252 503 T C 1.413 175.945 174.700 -0.281 0.000 1.022 503 T CA -0.199 61.750 62.100 -0.253 0.000 0.980 503 T CB 0.266 68.977 68.868 -0.262 0.000 1.044 503 T HN -0.101 nan 8.240 nan 0.000 0.501 504 M N 2.909 122.290 119.600 -0.364 0.000 2.252 504 M HA 0.447 4.926 4.480 -0.001 0.000 0.208 504 M C 0.632 176.811 176.300 -0.201 0.000 1.006 504 M CA -0.114 54.971 55.300 -0.358 0.000 1.596 504 M CB -0.005 32.195 32.600 -0.666 0.000 1.113 504 M HN 0.333 nan 8.290 nan 0.000 0.799 505 T N -2.113 112.378 114.554 -0.106 0.000 2.885 505 T HA 0.694 5.044 4.350 -0.001 0.000 0.285 505 T C 0.161 174.849 174.700 -0.021 0.000 1.019 505 T CA -0.350 61.721 62.100 -0.049 0.000 1.010 505 T CB 1.383 70.239 68.868 -0.019 0.000 1.022 505 T HN 0.869 nan 8.240 nan 0.000 0.466 506 A N 1.951 124.742 122.820 -0.047 0.000 2.409 506 A HA -0.185 4.134 4.320 -0.001 0.000 0.290 506 A C 1.606 179.173 177.584 -0.029 0.000 1.440 506 A CA 1.155 53.158 52.037 -0.056 0.000 0.775 506 A CB -2.515 16.451 19.000 -0.056 0.000 1.069 506 A HN 1.877 nan 8.150 nan 0.000 0.389 507 T N -1.816 112.713 114.554 -0.041 0.000 2.996 507 T HA -0.180 4.169 4.350 -0.001 0.000 0.271 507 T C 1.416 176.109 174.700 -0.011 0.000 1.126 507 T CA 1.338 63.440 62.100 0.003 0.000 1.103 507 T CB -0.414 68.355 68.868 -0.165 0.000 0.870 507 T HN 0.599 nan 8.240 nan 0.000 0.528 508 N N 2.198 120.866 118.700 -0.053 0.000 2.272 508 N HA -0.110 4.629 4.740 -0.001 0.000 0.185 508 N C 2.101 177.590 175.510 -0.034 0.000 1.014 508 N CA 1.321 54.347 53.050 -0.040 0.000 0.870 508 N CB -0.341 38.135 38.487 -0.017 0.000 0.975 508 N HN 0.771 nan 8.380 nan 0.000 0.433 509 R N -0.650 119.819 120.500 -0.052 0.000 2.148 509 R HA -0.090 4.249 4.340 -0.001 0.000 0.227 509 R C 1.229 177.386 176.300 -0.240 0.000 1.103 509 R CA 0.975 56.986 56.100 -0.148 0.000 0.983 509 R CB -0.746 29.421 30.300 -0.222 0.000 0.874 509 R HN 0.243 nan 8.270 nan 0.000 0.451 510 Y N 1.331 121.494 120.300 -0.228 0.000 2.373 510 Y HA 0.069 4.618 4.550 -0.001 0.000 0.293 510 Y C 2.746 178.449 175.900 -0.329 0.000 1.129 510 Y CA 1.111 59.046 58.100 -0.274 0.000 1.226 510 Y CB -0.099 38.239 38.460 -0.204 0.000 1.000 510 Y HN 0.237 nan 8.280 nan 0.000 0.549 511 A N 0.085 122.814 122.820 -0.151 0.000 1.930 511 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 511 A C 2.113 179.637 177.584 -0.101 0.000 1.176 511 A CA 1.207 53.089 52.037 -0.258 0.000 0.632 511 A CB -0.319 18.647 19.000 -0.056 0.000 0.819 511 A HN 0.333 nan 8.150 nan 0.000 0.445 512 K N -0.041 120.328 120.400 -0.053 0.000 2.148 512 K HA -0.142 4.177 4.320 -0.001 0.000 0.204 512 K C 2.142 178.719 176.600 -0.039 0.000 1.050 512 K CA 1.679 57.965 56.287 -0.002 0.000 0.942 512 K CB -0.417 32.076 32.500 -0.010 0.000 0.724 512 K HN 0.801 nan 8.250 nan 0.000 0.446 513 M N -1.114 118.373 119.600 -0.189 0.000 2.213 513 M HA -0.144 4.335 4.480 -0.001 0.000 0.263 513 M C 1.334 177.534 176.300 -0.168 0.000 1.062 513 M CA 1.658 56.810 55.300 -0.245 0.000 1.105 513 M CB -0.715 31.612 32.600 -0.454 0.000 1.385 513 M HN -0.007 nan 8.290 nan 0.000 0.417 514 Y N 2.313 122.572 120.300 -0.068 0.000 2.333 514 Y HA -0.123 4.426 4.550 -0.001 0.000 0.290 514 Y C 2.613 178.583 175.900 0.115 0.000 1.144 514 Y CA 1.745 59.855 58.100 0.016 0.000 1.228 514 Y CB -0.484 37.939 38.460 -0.060 0.000 0.985 514 Y HN 0.532 nan 8.280 nan 0.000 0.542 515 T N -3.237 111.469 114.554 0.253 0.000 3.144 515 T HA -0.018 4.331 4.350 -0.001 0.000 0.249 515 T C 0.423 175.219 174.700 0.161 0.000 1.089 515 T CA -0.185 62.042 62.100 0.211 0.000 0.989 515 T CB -0.458 68.524 68.868 0.190 0.000 0.992 515 T HN 0.226 nan 8.240 nan 0.000 0.540 516 H N 3.085 122.195 119.070 0.067 0.000 2.848 516 H HA 0.033 4.589 4.556 -0.001 0.000 0.341 516 H C 0.764 176.133 175.328 0.068 0.000 1.060 516 H CA 0.642 56.715 56.048 0.042 0.000 1.444 516 H CB 0.982 30.741 29.762 -0.005 0.000 1.446 516 H HN 0.389 nan 8.280 nan 0.000 0.583 517 D N 2.128 122.386 120.400 -0.238 0.000 2.310 517 D HA -0.171 4.468 4.640 -0.001 0.000 0.212 517 D C 1.483 177.830 176.300 0.079 0.000 0.965 517 D CA 0.963 54.930 54.000 -0.055 0.000 0.879 517 D CB -0.059 40.675 40.800 -0.110 0.000 0.921 517 D HN 0.462 nan 8.370 nan 0.000 0.510 518 S N 0.160 116.006 115.700 0.244 0.000 2.453 518 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 518 S C 1.301 176.013 174.600 0.187 0.000 1.005 518 S CA -0.256 58.093 58.200 0.249 0.000 0.949 518 S CB -0.561 62.837 63.200 0.329 0.000 0.774 518 S HN 0.234 nan 8.310 nan 0.000 0.510 519 L N 2.465 123.818 121.223 0.216 0.000 2.363 519 L HA 0.233 4.572 4.340 -0.001 0.000 0.286 519 L C 1.062 178.071 176.870 0.232 0.000 1.106 519 L CA -0.152 54.806 54.840 0.197 0.000 0.859 519 L CB 0.545 42.724 42.059 0.200 0.000 1.223 519 L HN 0.378 nan 8.230 nan 0.000 0.446 520 E N 3.301 123.649 120.200 0.246 0.000 2.216 520 E HA -0.036 4.313 4.350 -0.001 0.000 0.192 520 E C -0.431 176.443 176.600 0.457 0.000 0.988 520 E CA 0.682 57.267 56.400 0.308 0.000 0.834 520 E CB 0.442 30.302 29.700 0.268 0.000 0.772 520 E HN 0.311 nan 8.360 nan 0.000 0.479 521 F N 0.099 120.155 119.950 0.176 0.000 2.635 521 F HA 0.299 4.825 4.527 -0.001 0.000 0.314 521 F C -1.775 174.070 175.800 0.075 0.000 1.119 521 F CA -1.191 56.861 58.000 0.087 0.000 1.000 521 F CB 1.532 40.609 39.000 0.128 0.000 1.278 521 F HN -0.415 nan 8.300 nan 0.000 0.446 522 V N 6.054 125.633 119.914 -0.559 0.000 2.525 522 V HA 0.633 4.752 4.120 -0.001 0.000 0.299 522 V C -1.031 174.562 176.094 -0.835 0.000 1.034 522 V CA -0.818 61.205 62.300 -0.462 0.000 0.863 522 V CB 1.658 33.419 31.823 -0.103 0.000 0.999 522 V HN 0.610 nan 8.190 nan 0.000 0.423 523 V N 3.163 122.627 119.914 -0.750 0.000 2.555 523 V HA 0.639 4.759 4.120 -0.001 0.000 0.302 523 V C 0.052 175.897 176.094 -0.414 0.000 1.038 523 V CA -0.406 61.471 62.300 -0.705 0.000 0.887 523 V CB 2.051 33.318 31.823 -0.928 0.000 0.991 523 V HN 0.825 nan 8.190 nan 0.000 0.434 524 S N 3.422 118.934 115.700 -0.312 0.000 2.596 524 S HA 0.413 4.883 4.470 -0.001 0.000 0.318 524 S C -0.597 173.928 174.600 -0.124 0.000 1.097 524 S CA -0.550 57.532 58.200 -0.197 0.000 1.080 524 S CB 1.087 64.141 63.200 -0.243 0.000 0.991 524 S HN 0.833 nan 8.310 nan 0.000 0.471 525 Q N 3.998 123.800 119.800 0.003 0.000 2.509 525 Q HA 0.552 4.892 4.340 -0.001 0.000 0.236 525 Q C -0.993 174.880 176.000 -0.212 0.000 1.073 525 Q CA -0.254 55.550 55.803 0.001 0.000 0.867 525 Q CB 0.416 29.321 28.738 0.278 0.000 1.181 525 Q HN 0.657 nan 8.270 nan 0.000 0.526 526 S N 2.605 118.172 115.700 -0.221 0.000 2.740 526 S HA 0.516 4.985 4.470 -0.001 0.000 0.300 526 S C 0.603 175.022 174.600 -0.302 0.000 1.147 526 S CA -0.723 57.313 58.200 -0.274 0.000 0.871 526 S CB 1.068 64.145 63.200 -0.204 0.000 1.173 526 S HN 0.659 nan 8.310 nan 0.000 0.510 527 I N -0.577 119.764 120.570 -0.382 0.000 2.810 527 I HA 0.194 4.364 4.170 -0.001 0.000 0.262 527 I C -0.121 175.568 176.117 -0.713 0.000 1.131 527 I CA 0.587 61.472 61.300 -0.693 0.000 1.453 527 I CB 0.273 37.525 38.000 -1.246 0.000 1.161 527 I HN 0.317 nan 8.210 nan 0.000 0.444 528 W N 0.073 121.316 121.300 -0.095 0.000 2.689 528 W HA 0.294 4.953 4.660 -0.001 0.000 0.340 528 W C -0.837 175.635 176.519 -0.077 0.000 1.060 528 W CA -1.036 56.274 57.345 -0.059 0.000 1.218 528 W CB 1.288 30.707 29.460 -0.067 0.000 1.410 528 W HN -0.210 nan 8.180 nan 0.000 0.528 529 F N 4.149 124.098 119.950 -0.002 0.000 2.462 529 F HA 0.181 4.707 4.527 -0.001 0.000 0.354 529 F C 0.244 175.930 175.800 -0.191 0.000 1.192 529 F CA 0.163 57.998 58.000 -0.277 0.000 1.173 529 F CB -0.214 38.402 39.000 -0.641 0.000 1.402 529 F HN 0.355 nan 8.300 nan 0.000 0.595 530 E N 2.347 122.307 120.200 -0.401 0.000 2.442 530 E HA 0.628 4.977 4.350 -0.001 0.000 0.278 530 E C 0.448 176.878 176.600 -0.283 0.000 1.082 530 E CA -0.829 55.391 56.400 -0.300 0.000 0.861 530 E CB 0.413 30.047 29.700 -0.109 0.000 1.462 530 E HN 0.594 nan 8.360 nan 0.000 0.458 531 G N 1.216 109.920 108.800 -0.160 0.000 2.665 531 G HA2 -0.444 3.515 3.960 -0.001 0.000 0.326 531 G HA3 -0.444 3.515 3.960 -0.001 0.000 0.326 531 G C 0.652 175.518 174.900 -0.056 0.000 1.231 531 G CA 0.947 45.993 45.100 -0.090 0.000 0.992 531 G HN 0.701 nan 8.290 nan 0.000 0.549 532 E N 0.332 120.477 120.200 -0.092 0.000 2.435 532 E HA 0.210 4.559 4.350 -0.001 0.000 0.195 532 E C 2.637 179.151 176.600 -0.145 0.000 1.029 532 E CA 0.502 56.889 56.400 -0.020 0.000 0.865 532 E CB 0.097 29.734 29.700 -0.104 0.000 0.833 532 E HN 0.322 nan 8.360 nan 0.000 0.510 533 V N 1.670 121.400 119.914 -0.307 0.000 2.324 533 V HA -0.215 3.905 4.120 -0.001 0.000 0.250 533 V C -1.014 174.771 176.094 -0.515 0.000 1.060 533 V CA 1.761 63.803 62.300 -0.430 0.000 1.042 533 V CB -1.345 30.167 31.823 -0.518 0.000 0.650 533 V HN 0.213 nan 8.190 nan 0.000 0.450 534 P HA -0.006 nan 4.420 nan 0.000 0.251 534 P C 0.639 177.731 177.300 -0.346 0.000 1.251 534 P CA 1.025 63.810 63.100 -0.525 0.000 0.763 534 P CB -0.348 30.934 31.700 -0.697 0.000 1.067 535 F N -1.307 118.457 119.950 -0.309 0.000 2.706 535 F HA 0.336 4.863 4.527 -0.001 0.000 0.308 535 F C 1.517 177.138 175.800 -0.298 0.000 1.095 535 F CA -0.396 57.379 58.000 -0.375 0.000 1.244 535 F CB -0.137 38.285 39.000 -0.963 0.000 1.063 535 F HN -0.194 nan 8.300 nan 0.000 0.582 536 A N 0.250 123.018 122.820 -0.087 0.000 2.346 536 A HA 0.193 4.512 4.320 -0.001 0.000 0.252 536 A C 0.859 178.436 177.584 -0.013 0.000 1.089 536 A CA -0.144 51.817 52.037 -0.126 0.000 0.797 536 A CB 0.233 19.099 19.000 -0.224 0.000 1.047 536 A HN 0.196 nan 8.150 nan 0.000 0.494 537 D N -0.574 119.687 120.400 -0.231 0.000 2.262 537 D HA 0.137 4.776 4.640 -0.001 0.000 0.212 537 D C 0.119 176.354 176.300 -0.110 0.000 0.964 537 D CA 1.072 54.885 54.000 -0.312 0.000 0.875 537 D CB 0.245 40.476 40.800 -0.949 0.000 0.996 537 D HN 0.302 nan 8.370 nan 0.000 0.497 538 I N 1.444 121.897 120.570 -0.194 0.000 2.533 538 I HA 0.346 4.516 4.170 -0.001 0.000 0.290 538 I C -0.506 175.501 176.117 -0.183 0.000 1.056 538 I CA -0.561 60.684 61.300 -0.091 0.000 1.057 538 I CB 2.404 40.394 38.000 -0.017 0.000 1.240 538 I HN -0.237 nan 8.210 nan 0.000 0.423 539 I N 6.508 126.976 120.570 -0.169 0.000 2.406 539 I HA 0.420 4.590 4.170 -0.001 0.000 0.290 539 I C -0.665 175.309 176.117 -0.239 0.000 0.999 539 I CA -0.610 60.554 61.300 -0.226 0.000 1.124 539 I CB 2.044 39.870 38.000 -0.289 0.000 1.289 539 I HN 0.227 nan 8.210 nan 0.000 0.441 540 L N 7.918 129.020 121.223 -0.201 0.000 2.305 540 L HA 0.473 4.812 4.340 -0.001 0.000 0.284 540 L C -2.479 174.322 176.870 -0.114 0.000 1.013 540 L CA -1.899 52.812 54.840 -0.216 0.000 0.819 540 L CB 1.459 43.534 42.059 0.027 0.000 1.227 540 L HN 0.264 nan 8.230 nan 0.000 0.417 541 P HA 0.202 nan 4.420 nan 0.000 0.275 541 P C -0.697 176.659 177.300 0.093 0.000 1.276 541 P CA -0.069 63.012 63.100 -0.031 0.000 0.782 541 P CB 1.108 32.792 31.700 -0.026 0.000 0.851 542 A N 3.342 126.115 122.820 -0.078 0.000 2.281 542 A HA 0.681 5.001 4.320 -0.001 0.000 0.329 542 A C 0.338 177.818 177.584 -0.174 0.000 1.122 542 A CA -0.439 51.535 52.037 -0.106 0.000 0.850 542 A CB 0.551 19.420 19.000 -0.218 0.000 1.207 542 A HN 0.703 nan 8.150 nan 0.000 0.495 543 C N -0.188 119.037 119.300 -0.125 0.000 2.407 543 C HA 0.908 5.367 4.460 -0.001 0.000 0.366 543 C C 0.926 175.849 174.990 -0.112 0.000 1.213 543 C CA 0.056 58.997 59.018 -0.128 0.000 2.011 543 C CB 0.546 28.261 27.740 -0.042 0.000 2.306 543 C HN 1.172 nan 8.230 nan 0.000 0.527 544 T N -0.201 114.322 114.554 -0.052 0.000 2.754 544 T HA 0.208 4.557 4.350 -0.001 0.000 0.286 544 T C 1.134 175.935 174.700 0.168 0.000 0.997 544 T CA 0.149 62.321 62.100 0.119 0.000 0.982 544 T CB 0.360 69.443 68.868 0.357 0.000 1.027 544 T HN 0.905 nan 8.240 nan 0.000 0.529 545 N N -0.122 118.709 118.700 0.219 0.000 2.550 545 N HA -0.066 4.673 4.740 -0.001 0.000 0.186 545 N C 0.870 176.350 175.510 -0.051 0.000 1.110 545 N CA 0.600 53.692 53.050 0.069 0.000 0.912 545 N CB -0.509 37.990 38.487 0.020 0.000 0.968 545 N HN 0.600 nan 8.380 nan 0.000 0.448 546 F N 0.931 120.901 119.950 0.035 0.000 2.797 546 F HA 0.204 4.730 4.527 -0.001 0.000 0.302 546 F C 1.215 176.971 175.800 -0.073 0.000 1.130 546 F CA 0.224 58.217 58.000 -0.013 0.000 1.387 546 F CB 0.233 39.257 39.000 0.039 0.000 1.107 546 F HN 0.054 nan 8.300 nan 0.000 0.577 547 E N 0.164 120.411 120.200 0.079 0.000 2.548 547 E HA 0.171 4.521 4.350 -0.001 0.000 0.206 547 E C 0.263 176.828 176.600 -0.057 0.000 1.005 547 E CA -0.209 56.192 56.400 0.001 0.000 0.951 547 E CB 0.479 30.194 29.700 0.025 0.000 1.035 547 E HN 0.336 nan 8.360 nan 0.000 0.470 548 R N -0.994 119.443 120.500 -0.104 0.000 2.766 548 R HA 0.450 4.789 4.340 -0.001 0.000 0.270 548 R C -1.599 174.610 176.300 -0.152 0.000 1.035 548 R CA -1.022 55.029 56.100 -0.082 0.000 0.911 548 R CB 0.614 30.952 30.300 0.063 0.000 1.243 548 R HN -0.117 nan 8.270 nan 0.000 0.460 549 W N 0.692 122.055 121.300 0.106 0.000 2.365 549 W HA 0.497 5.157 4.660 -0.001 0.000 0.316 549 W C 0.038 176.626 176.519 0.116 0.000 1.164 549 W CA 0.508 57.931 57.345 0.130 0.000 1.204 549 W CB 1.215 30.785 29.460 0.184 0.000 1.213 549 W HN 0.488 nan 8.180 nan 0.000 0.539 550 D N 1.157 121.783 120.400 0.376 0.000 2.779 550 D HA 0.502 5.141 4.640 -0.001 0.000 0.331 550 D C -1.754 174.716 176.300 0.284 0.000 1.331 550 D CA -0.680 53.467 54.000 0.245 0.000 0.866 550 D CB 1.964 42.840 40.800 0.128 0.000 1.409 550 D HN 0.361 nan 8.370 nan 0.000 0.486 551 I N 0.304 120.986 120.570 0.187 0.000 2.827 551 I HA 0.590 4.759 4.170 -0.001 0.000 0.298 551 I C -1.442 174.782 176.117 0.179 0.000 1.235 551 I CA -0.057 61.420 61.300 0.295 0.000 1.021 551 I CB 1.685 39.963 38.000 0.464 0.000 1.259 551 I HN 0.600 nan 8.210 nan 0.000 0.427 552 S N 3.920 119.794 115.700 0.289 0.000 2.636 552 S HA 0.470 4.939 4.470 -0.001 0.000 0.266 552 S C -1.456 173.322 174.600 0.296 0.000 1.147 552 S CA -0.892 57.462 58.200 0.256 0.000 0.815 552 S CB 1.672 64.901 63.200 0.048 0.000 1.119 552 S HN 0.825 nan 8.310 nan 0.000 0.470 553 E N 0.347 120.770 120.200 0.372 0.000 2.248 553 E HA 0.511 4.860 4.350 -0.001 0.000 0.267 553 E C -1.238 175.725 176.600 0.605 0.000 0.877 553 E CA -0.940 55.653 56.400 0.321 0.000 0.759 553 E CB 1.006 30.823 29.700 0.196 0.000 1.182 553 E HN 0.528 nan 8.360 nan 0.000 0.418 554 F N 4.208 124.340 119.950 0.303 0.000 2.512 554 F HA 0.036 4.562 4.527 -0.001 0.000 0.406 554 F C 1.032 177.021 175.800 0.314 0.000 0.990 554 F CA 1.254 59.401 58.000 0.244 0.000 1.137 554 F CB -0.721 38.376 39.000 0.160 0.000 0.960 554 F HN 0.804 nan 8.300 nan 0.000 0.533 555 A N 3.748 126.917 122.820 0.581 0.000 3.100 555 A HA -0.337 3.982 4.320 -0.001 0.000 0.268 555 A C 0.891 178.830 177.584 0.592 0.000 1.227 555 A CA 1.142 53.447 52.037 0.447 0.000 0.967 555 A CB -2.544 16.521 19.000 0.109 0.000 1.066 555 A HN 0.782 nan 8.150 nan 0.000 0.787 556 N N -0.276 118.804 118.700 0.634 0.000 2.402 556 N HA 0.284 5.023 4.740 -0.001 0.000 0.259 556 N C 0.865 176.447 175.510 0.119 0.000 1.167 556 N CA 0.417 53.703 53.050 0.394 0.000 0.949 556 N CB 0.402 39.130 38.487 0.403 0.000 1.212 556 N HN 0.657 nan 8.380 nan 0.000 0.493 557 C N 2.669 121.942 119.300 -0.045 0.000 2.520 557 C HA 0.286 4.745 4.460 -0.001 0.000 0.291 557 C C 1.380 175.986 174.990 -0.640 0.000 1.364 557 C CA 1.079 59.705 59.018 -0.654 0.000 1.781 557 C CB -0.946 26.723 27.740 -0.119 0.000 2.171 557 C HN 0.875 nan 8.230 nan 0.000 0.516 558 S N -1.133 114.346 115.700 -0.367 0.000 3.387 558 S HA 0.119 4.588 4.470 -0.001 0.000 0.633 558 S C 1.057 175.269 174.600 -0.648 0.000 2.641 558 S CA 2.142 60.085 58.200 -0.428 0.000 2.931 558 S CB -1.637 61.428 63.200 -0.225 0.000 0.327 558 S HN 2.618 nan 8.310 nan 0.000 1.716 559 G N 0.808 109.178 108.800 -0.717 0.000 2.620 559 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.315 559 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.315 559 G C 0.562 175.100 174.900 -0.603 0.000 1.179 559 G CA 1.440 46.167 45.100 -0.621 0.000 0.971 559 G HN 2.120 nan 8.290 nan 0.000 0.544 560 Y N 0.752 121.016 120.300 -0.059 0.000 2.632 560 Y HA 0.641 5.190 4.550 -0.001 0.000 0.301 560 Y C 1.461 177.327 175.900 -0.057 0.000 1.172 560 Y CA 0.232 58.309 58.100 -0.038 0.000 1.328 560 Y CB -0.225 38.233 38.460 -0.004 0.000 1.016 560 Y HN 0.366 nan 8.280 nan 0.000 0.529 561 I N 1.848 122.345 120.570 -0.122 0.000 2.917 561 I HA 0.293 4.462 4.170 -0.001 0.000 0.292 561 I C -2.859 173.003 176.117 -0.427 0.000 1.510 561 I CA -1.972 59.230 61.300 -0.162 0.000 0.858 561 I CB 1.086 39.081 38.000 -0.010 0.000 1.862 561 I HN -0.191 nan 8.210 nan 0.000 0.615 562 P HA -0.008 nan 4.420 nan 0.000 0.264 562 P C -0.106 176.870 177.300 -0.540 0.000 1.183 562 P CA 0.572 63.143 63.100 -0.882 0.000 0.763 562 P CB 0.279 31.240 31.700 -1.231 0.000 0.807 563 D N 1.277 121.433 120.400 -0.407 0.000 2.751 563 D HA -0.216 4.423 4.640 -0.001 0.000 0.233 563 D C 0.569 176.328 176.300 -0.901 0.000 1.149 563 D CA 1.129 54.741 54.000 -0.647 0.000 0.682 563 D CB -1.764 38.799 40.800 -0.396 0.000 1.068 563 D HN 0.672 nan 8.370 nan 0.000 0.429 564 N N -0.521 117.857 118.700 -0.536 0.000 2.571 564 N HA -0.160 4.579 4.740 -0.001 0.000 0.189 564 N C 1.737 177.092 175.510 -0.257 0.000 1.154 564 N CA 0.308 53.128 53.050 -0.385 0.000 0.907 564 N CB -0.471 37.886 38.487 -0.217 0.000 0.977 564 N HN 0.558 nan 8.380 nan 0.000 0.449 565 Y N -0.068 120.252 120.300 0.032 0.000 2.574 565 Y HA -0.071 4.479 4.550 -0.001 0.000 0.294 565 Y C 1.913 177.831 175.900 0.029 0.000 1.142 565 Y CA 0.147 58.284 58.100 0.062 0.000 1.314 565 Y CB -0.673 37.876 38.460 0.148 0.000 0.991 565 Y HN 0.316 nan 8.280 nan 0.000 0.555 566 Q N 0.883 120.600 119.800 -0.138 0.000 2.515 566 Q HA 0.021 4.361 4.340 -0.001 0.000 0.214 566 Q C 1.220 177.201 176.000 -0.030 0.000 0.971 566 Q CA 0.660 56.477 55.803 0.022 0.000 0.952 566 Q CB -0.351 28.360 28.738 -0.044 0.000 0.999 566 Q HN 0.640 nan 8.270 nan 0.000 0.524 567 L N 0.049 121.224 121.223 -0.079 0.000 2.341 567 L HA 0.089 4.428 4.340 -0.001 0.000 0.214 567 L C 0.642 177.440 176.870 -0.119 0.000 1.115 567 L CA -0.206 54.567 54.840 -0.111 0.000 0.820 567 L CB 0.274 42.246 42.059 -0.145 0.000 0.944 567 L HN 0.349 nan 8.230 nan 0.000 0.452 568 C N -0.380 118.846 119.300 -0.124 0.000 2.335 568 C HA 0.206 4.665 4.460 -0.001 0.000 0.363 568 C C 1.698 176.745 174.990 0.094 0.000 1.198 568 C CA -0.924 58.005 59.018 -0.148 0.000 2.279 568 C CB 0.959 28.458 27.740 -0.401 0.000 2.334 568 C HN 0.338 nan 8.230 nan 0.000 0.559 569 N N 0.063 118.872 118.700 0.182 0.000 2.457 569 N HA 0.024 4.763 4.740 -0.001 0.000 0.180 569 N C -0.261 175.266 175.510 0.028 0.000 1.050 569 N CA 0.926 54.124 53.050 0.246 0.000 0.906 569 N CB -0.071 38.529 38.487 0.189 0.000 0.968 569 N HN 0.743 nan 8.380 nan 0.000 0.445 570 H N -1.296 117.994 119.070 0.366 0.000 3.012 570 H HA 0.370 4.925 4.556 -0.001 0.000 0.367 570 H C -0.520 174.949 175.328 0.235 0.000 1.211 570 H CA -0.702 55.532 56.048 0.310 0.000 1.139 570 H CB 1.417 31.377 29.762 0.330 0.000 1.838 570 H HN -0.211 nan 8.280 nan 0.000 0.550 571 R N 1.631 122.267 120.500 0.225 0.000 2.216 571 R HA 0.418 4.757 4.340 -0.001 0.000 0.332 571 R C -0.967 175.378 176.300 0.075 0.000 1.056 571 R CA -0.530 55.636 56.100 0.109 0.000 0.901 571 R CB 0.762 31.009 30.300 -0.087 0.000 1.039 571 R HN 0.207 nan 8.270 nan 0.000 0.456 572 V N 6.218 126.255 119.914 0.204 0.000 2.378 572 V HA 0.374 4.493 4.120 -0.001 0.000 0.288 572 V C 0.125 176.304 176.094 0.142 0.000 1.016 572 V CA -0.648 61.748 62.300 0.159 0.000 0.840 572 V CB 1.681 33.649 31.823 0.242 0.000 0.994 572 V HN 0.638 nan 8.190 nan 0.000 0.431 573 I N 4.919 125.549 120.570 0.101 0.000 2.321 573 I HA 0.553 4.722 4.170 -0.001 0.000 0.291 573 I C 0.235 176.578 176.117 0.376 0.000 0.998 573 I CA 0.086 61.419 61.300 0.055 0.000 1.227 573 I CB 1.755 39.637 38.000 -0.197 0.000 1.368 573 I HN 0.731 nan 8.210 nan 0.000 0.466 574 S N 6.386 122.308 115.700 0.370 0.000 2.548 574 S HA 0.640 5.109 4.470 -0.001 0.000 0.286 574 S C -0.840 173.990 174.600 0.385 0.000 1.098 574 S CA -0.919 57.506 58.200 0.376 0.000 0.930 574 S CB 2.205 65.510 63.200 0.176 0.000 1.070 574 S HN 0.469 nan 8.310 nan 0.000 0.480 575 L N 1.902 123.212 121.223 0.145 0.000 2.319 575 L HA 0.396 4.735 4.340 -0.001 0.000 0.280 575 L C -0.180 176.751 176.870 0.102 0.000 1.099 575 L CA 0.230 55.155 54.840 0.141 0.000 0.828 575 L CB 0.619 42.541 42.059 -0.228 0.000 1.150 575 L HN 0.780 nan 8.230 nan 0.000 0.442 576 Q N 5.374 125.274 119.800 0.166 0.000 2.490 576 Q HA 0.479 4.819 4.340 -0.001 0.000 0.226 576 Q C -0.105 175.900 176.000 0.008 0.000 1.132 576 Q CA -0.477 55.341 55.803 0.026 0.000 0.928 576 Q CB 0.907 29.653 28.738 0.014 0.000 1.299 576 Q HN 0.871 nan 8.270 nan 0.000 0.528 577 A N 2.871 125.627 122.820 -0.107 0.000 2.445 577 A HA 0.076 4.395 4.320 -0.001 0.000 0.242 577 A C 0.142 177.326 177.584 -0.666 0.000 1.075 577 A CA -0.238 51.593 52.037 -0.342 0.000 0.777 577 A CB 0.316 19.183 19.000 -0.223 0.000 1.013 577 A HN 0.656 nan 8.150 nan 0.000 0.493 578 K N 2.558 122.085 120.400 -1.454 0.000 2.228 578 K HA 0.186 4.506 4.320 -0.001 0.000 0.284 578 K C 0.366 176.655 176.600 -0.518 0.000 1.088 578 K CA -0.403 55.288 56.287 -0.993 0.000 0.941 578 K CB -0.440 31.237 32.500 -1.372 0.000 1.158 578 K HN 0.713 nan 8.250 nan 0.000 0.438 579 C N 4.429 123.584 119.300 -0.241 0.000 2.435 579 C HA 0.042 4.501 4.460 -0.001 0.000 0.279 579 C C 1.205 176.191 174.990 -0.006 0.000 1.321 579 C CA -0.115 58.863 59.018 -0.067 0.000 1.752 579 C CB -1.157 26.634 27.740 0.083 0.000 1.959 579 C HN 0.839 nan 8.230 nan 0.000 0.500 580 I N -3.557 117.012 120.570 -0.001 0.000 3.195 580 I HA 0.537 4.706 4.170 -0.001 0.000 0.313 580 I C -1.055 175.078 176.117 0.026 0.000 1.237 580 I CA -0.756 60.570 61.300 0.045 0.000 0.963 580 I CB 1.025 39.090 38.000 0.107 0.000 1.278 580 I HN -0.264 nan 8.210 nan 0.000 0.460 581 E N 2.138 122.370 120.200 0.054 0.000 2.390 581 E HA 0.335 4.684 4.350 -0.001 0.000 0.261 581 E C -2.376 174.257 176.600 0.054 0.000 1.076 581 E CA -1.485 54.946 56.400 0.052 0.000 0.905 581 E CB 0.228 29.967 29.700 0.066 0.000 0.984 581 E HN 0.406 nan 8.360 nan 0.000 0.427 582 P HA -0.074 nan 4.420 nan 0.000 0.263 582 P C -0.472 176.861 177.300 0.054 0.000 1.175 582 P CA 0.211 63.334 63.100 0.038 0.000 0.761 582 P CB 0.404 32.126 31.700 0.037 0.000 0.794 583 V N 3.909 123.847 119.914 0.039 0.000 2.637 583 V HA 0.370 4.489 4.120 -0.001 0.000 0.296 583 V C 1.358 177.482 176.094 0.049 0.000 1.046 583 V CA 1.253 63.589 62.300 0.060 0.000 1.066 583 V CB -0.075 31.774 31.823 0.044 0.000 0.968 583 V HN 1.062 nan 8.190 nan 0.000 0.483 584 G N 4.957 113.796 108.800 0.066 0.000 2.566 584 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.280 584 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.280 584 G C 0.362 175.332 174.900 0.117 0.000 1.225 584 G CA 0.576 45.719 45.100 0.071 0.000 0.966 584 G HN 0.724 nan 8.290 nan 0.000 0.560 585 E N 0.950 121.247 120.200 0.162 0.000 2.437 585 E HA 0.364 4.713 4.350 -0.001 0.000 0.195 585 E C 1.184 178.017 176.600 0.388 0.000 1.029 585 E CA 0.409 56.975 56.400 0.277 0.000 0.948 585 E CB 0.123 30.025 29.700 0.336 0.000 1.082 585 E HN 0.670 nan 8.360 nan 0.000 0.456 586 S N 0.723 116.555 115.700 0.220 0.000 2.624 586 S HA 0.485 4.954 4.470 -0.001 0.000 0.263 586 S C 0.174 174.860 174.600 0.144 0.000 1.287 586 S CA -0.598 57.734 58.200 0.221 0.000 0.990 586 S CB 0.843 64.070 63.200 0.046 0.000 0.950 586 S HN 0.217 nan 8.310 nan 0.000 0.561 587 M N -0.280 119.368 119.600 0.078 0.000 2.578 587 M HA 0.485 4.964 4.480 -0.001 0.000 0.276 587 M C -0.516 175.762 176.300 -0.038 0.000 1.245 587 M CA -0.958 54.309 55.300 -0.054 0.000 0.871 587 M CB 1.694 34.130 32.600 -0.273 0.000 1.722 587 M HN 0.731 nan 8.290 nan 0.000 0.473 588 S N -0.328 115.371 115.700 -0.001 0.000 2.566 588 S HA 0.062 4.531 4.470 -0.001 0.000 0.280 588 S C 0.319 174.933 174.600 0.023 0.000 1.343 588 S CA 0.061 58.292 58.200 0.052 0.000 1.036 588 S CB 0.481 63.766 63.200 0.142 0.000 0.866 588 S HN 0.763 nan 8.310 nan 0.000 0.526 589 D N 0.652 121.079 120.400 0.045 0.000 2.149 589 D HA -0.165 4.475 4.640 -0.001 0.000 0.198 589 D C 1.434 177.708 176.300 -0.043 0.000 0.990 589 D CA 1.684 55.642 54.000 -0.069 0.000 0.839 589 D CB -0.257 40.635 40.800 0.152 0.000 0.948 589 D HN 0.825 nan 8.370 nan 0.000 0.460 590 Y N 1.964 122.348 120.300 0.139 0.000 2.181 590 Y HA -0.193 4.356 4.550 -0.001 0.000 0.288 590 Y C 2.226 178.270 175.900 0.240 0.000 1.146 590 Y CA 1.447 59.730 58.100 0.304 0.000 1.164 590 Y CB 0.147 38.773 38.460 0.277 0.000 0.982 590 Y HN -0.186 nan 8.280 nan 0.000 0.515 591 E N 0.326 120.651 120.200 0.208 0.000 2.150 591 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 591 E C 2.311 178.817 176.600 -0.157 0.000 0.985 591 E CA 1.256 57.687 56.400 0.052 0.000 0.814 591 E CB -0.263 29.454 29.700 0.028 0.000 0.752 591 E HN 0.617 nan 8.360 nan 0.000 0.466 592 I N -0.063 120.365 120.570 -0.238 0.000 2.202 592 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 592 I C 2.160 178.162 176.117 -0.192 0.000 1.091 592 I CA 1.193 62.312 61.300 -0.302 0.000 1.368 592 I CB -0.375 37.481 38.000 -0.240 0.000 1.058 592 I HN 0.118 nan 8.210 nan 0.000 0.410 593 Y N 0.203 120.355 120.300 -0.246 0.000 2.293 593 Y HA -0.203 4.346 4.550 -0.001 0.000 0.291 593 Y C 2.809 178.328 175.900 -0.636 0.000 1.137 593 Y CA 0.586 58.234 58.100 -0.753 0.000 1.202 593 Y CB -0.207 37.683 38.460 -0.951 0.000 0.990 593 Y HN 0.065 nan 8.280 nan 0.000 0.537 594 R N 0.289 120.689 120.500 -0.165 0.000 2.092 594 R HA -0.174 4.165 4.340 -0.001 0.000 0.231 594 R C 2.133 178.441 176.300 0.012 0.000 1.119 594 R CA 1.074 57.188 56.100 0.023 0.000 0.970 594 R CB -0.333 30.014 30.300 0.079 0.000 0.864 594 R HN 0.306 nan 8.270 nan 0.000 0.440 595 L N 0.098 121.272 121.223 -0.083 0.000 2.056 595 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 595 L C 1.662 178.489 176.870 -0.072 0.000 1.078 595 L CA 1.706 56.472 54.840 -0.124 0.000 0.749 595 L CB -0.566 41.319 42.059 -0.289 0.000 0.901 595 L HN 0.105 nan 8.230 nan 0.000 0.433 596 F N -0.304 119.641 119.950 -0.008 0.000 2.146 596 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 596 F C 2.511 178.420 175.800 0.181 0.000 1.096 596 F CA 1.237 59.306 58.000 0.114 0.000 1.275 596 F CB -0.706 38.374 39.000 0.133 0.000 1.008 596 F HN 0.199 nan 8.300 nan 0.000 0.480 597 A N 0.025 123.044 122.820 0.331 0.000 1.917 597 A HA -0.299 4.020 4.320 -0.001 0.000 0.219 597 A C 2.183 179.897 177.584 0.216 0.000 1.182 597 A CA 2.139 54.342 52.037 0.277 0.000 0.633 597 A CB -0.823 18.287 19.000 0.184 0.000 0.819 597 A HN 0.377 nan 8.150 nan 0.000 0.448 598 K N -0.156 120.347 120.400 0.171 0.000 2.057 598 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 598 K C 1.839 178.517 176.600 0.129 0.000 1.049 598 K CA 1.705 58.072 56.287 0.134 0.000 0.931 598 K CB -0.165 32.392 32.500 0.095 0.000 0.714 598 K HN 0.458 nan 8.250 nan 0.000 0.440 599 K N 0.223 120.709 120.400 0.145 0.000 2.366 599 K HA -0.007 4.312 4.320 -0.001 0.000 0.198 599 K C 1.547 178.248 176.600 0.169 0.000 1.044 599 K CA 0.560 56.935 56.287 0.146 0.000 0.973 599 K CB 0.190 32.780 32.500 0.151 0.000 0.767 599 K HN 0.214 nan 8.250 nan 0.000 0.475 600 L N 0.459 121.801 121.223 0.199 0.000 2.607 600 L HA 0.093 4.432 4.340 -0.001 0.000 0.228 600 L C 0.152 177.093 176.870 0.118 0.000 1.123 600 L CA -0.230 54.709 54.840 0.166 0.000 0.890 600 L CB -0.272 41.903 42.059 0.195 0.000 1.103 600 L HN 0.229 nan 8.230 nan 0.000 0.468 601 N N 1.226 119.998 118.700 0.119 0.000 2.776 601 N HA -0.229 4.510 4.740 -0.001 0.000 0.249 601 N C 0.292 175.862 175.510 0.100 0.000 1.111 601 N CA 1.030 54.140 53.050 0.099 0.000 0.711 601 N CB -1.097 37.437 38.487 0.078 0.000 1.065 601 N HN 0.606 nan 8.380 nan 0.000 0.556 602 I N -3.846 116.800 120.570 0.126 0.000 3.658 602 I HA 0.294 4.463 4.170 -0.001 0.000 0.328 602 I C 1.295 177.535 176.117 0.206 0.000 1.567 602 I CA -0.571 60.810 61.300 0.135 0.000 1.078 602 I CB 0.320 38.382 38.000 0.104 0.000 1.267 602 I HN 0.085 nan 8.210 nan 0.000 0.495 603 E N 2.269 122.592 120.200 0.204 0.000 2.058 603 E HA -0.312 4.037 4.350 -0.001 0.000 0.194 603 E C 1.948 178.708 176.600 0.267 0.000 0.997 603 E CA 2.213 58.768 56.400 0.258 0.000 0.801 603 E CB 0.192 30.010 29.700 0.197 0.000 0.746 603 E HN 0.599 nan 8.360 nan 0.000 0.450 604 E N 0.242 120.555 120.200 0.189 0.000 2.058 604 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 604 E C 1.866 178.578 176.600 0.187 0.000 0.997 604 E CA 1.923 58.421 56.400 0.163 0.000 0.801 604 E CB -0.177 29.590 29.700 0.112 0.000 0.746 604 E HN 0.280 nan 8.360 nan 0.000 0.450 605 M N -0.570 119.140 119.600 0.184 0.000 2.132 605 M HA 0.041 4.520 4.480 -0.001 0.000 0.263 605 M C 1.957 178.421 176.300 0.272 0.000 1.065 605 M CA 1.332 56.741 55.300 0.183 0.000 1.122 605 M CB -0.744 31.933 32.600 0.128 0.000 1.365 605 M HN 0.222 nan 8.290 nan 0.000 0.411 606 F N 0.678 120.739 119.950 0.185 0.000 2.060 606 F HA -0.164 4.362 4.527 -0.001 0.000 0.295 606 F C 2.620 178.645 175.800 0.375 0.000 1.120 606 F CA 1.846 59.983 58.000 0.230 0.000 1.205 606 F CB -0.707 38.418 39.000 0.208 0.000 0.986 606 F HN 0.248 nan 8.300 nan 0.000 0.470 607 S N -0.676 115.154 115.700 0.217 0.000 2.446 607 S HA -0.035 4.434 4.470 -0.001 0.000 0.225 607 S C 0.911 175.701 174.600 0.317 0.000 1.016 607 S CA 0.659 59.034 58.200 0.292 0.000 0.943 607 S CB -0.566 62.861 63.200 0.379 0.000 0.786 607 S HN 0.580 nan 8.310 nan 0.000 0.508 608 E N 0.389 120.726 120.200 0.228 0.000 2.722 608 E HA -0.217 4.132 4.350 -0.001 0.000 0.265 608 E C 0.767 177.377 176.600 0.017 0.000 1.081 608 E CA 0.316 56.785 56.400 0.116 0.000 0.781 608 E CB -2.214 27.527 29.700 0.068 0.000 1.372 608 E HN 1.047 nan 8.360 nan 0.000 0.423 609 G N 0.257 109.106 108.800 0.081 0.000 2.153 609 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.252 609 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.252 609 G C 0.039 174.936 174.900 -0.006 0.000 0.994 609 G CA 1.051 46.180 45.100 0.048 0.000 0.698 609 G HN 0.282 nan 8.290 nan 0.000 0.521 610 K N 0.831 121.211 120.400 -0.032 0.000 2.164 610 K HA 0.552 4.871 4.320 -0.001 0.000 0.258 610 K C -0.177 176.494 176.600 0.118 0.000 0.951 610 K CA -0.530 55.661 56.287 -0.160 0.000 0.844 610 K CB 1.407 33.444 32.500 -0.771 0.000 1.099 610 K HN 0.329 nan 8.250 nan 0.000 0.435 611 D N 0.359 120.797 120.400 0.063 0.000 2.466 611 D HA 0.057 4.696 4.640 -0.001 0.000 0.262 611 D C 0.521 176.835 176.300 0.023 0.000 1.177 611 D CA -0.550 53.540 54.000 0.152 0.000 1.035 611 D CB 0.594 41.466 40.800 0.121 0.000 1.105 611 D HN 0.497 nan 8.370 nan 0.000 0.551 612 E N -1.179 118.986 120.200 -0.059 0.000 2.097 612 E HA -0.184 4.165 4.350 -0.001 0.000 0.196 612 E C 1.731 178.373 176.600 0.070 0.000 1.000 612 E CA 0.844 57.200 56.400 -0.073 0.000 0.804 612 E CB -0.141 29.593 29.700 0.057 0.000 0.740 612 E HN 0.317 nan 8.360 nan 0.000 0.454 613 L N 0.319 121.565 121.223 0.039 0.000 2.141 613 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 613 L C 2.064 178.857 176.870 -0.128 0.000 1.094 613 L CA 1.653 56.466 54.840 -0.044 0.000 0.763 613 L CB -0.484 41.403 42.059 -0.287 0.000 0.908 613 L HN 0.052 nan 8.230 nan 0.000 0.437 614 A N -1.698 121.031 122.820 -0.152 0.000 1.929 614 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 614 A C 2.074 179.498 177.584 -0.266 0.000 1.176 614 A CA 1.406 53.283 52.037 -0.267 0.000 0.628 614 A CB -1.121 17.704 19.000 -0.292 0.000 0.816 614 A HN 0.601 nan 8.150 nan 0.000 0.444 615 W N -0.709 120.482 121.300 -0.182 0.000 2.388 615 W HA -0.152 4.507 4.660 -0.001 0.000 0.294 615 W C 2.552 179.011 176.519 -0.100 0.000 1.212 615 W CA 0.898 58.164 57.345 -0.132 0.000 1.271 615 W CB -0.529 28.848 29.460 -0.139 0.000 1.126 615 W HN 0.341 nan 8.180 nan 0.000 0.535 616 C N -0.551 118.809 119.300 0.100 0.000 2.413 616 C HA -0.215 4.245 4.460 -0.001 0.000 0.276 616 C C 2.540 177.372 174.990 -0.263 0.000 1.248 616 C CA 1.608 60.656 59.018 0.051 0.000 1.742 616 C CB -1.240 26.615 27.740 0.192 0.000 2.017 616 C HN 0.448 nan 8.230 nan 0.000 0.481 617 E N 0.384 120.113 120.200 -0.785 0.000 2.106 617 E HA -0.265 4.084 4.350 -0.001 0.000 0.192 617 E C 2.234 178.593 176.600 -0.401 0.000 0.984 617 E CA 1.178 56.834 56.400 -1.240 0.000 0.806 617 E CB -0.291 28.546 29.700 -1.440 0.000 0.750 617 E HN 0.718 nan 8.360 nan 0.000 0.458 618 Q N -0.598 119.064 119.800 -0.230 0.000 2.079 618 Q HA -0.237 4.103 4.340 -0.001 0.000 0.200 618 Q C 1.984 178.003 176.000 0.031 0.000 0.974 618 Q CA 1.574 57.309 55.803 -0.113 0.000 0.840 618 Q CB -0.298 28.357 28.738 -0.139 0.000 0.898 618 Q HN 0.469 nan 8.270 nan 0.000 0.430 619 Y N 0.175 120.498 120.300 0.038 0.000 2.097 619 Y HA -0.320 4.230 4.550 -0.001 0.000 0.282 619 Y C 1.964 177.945 175.900 0.136 0.000 1.152 619 Y CA 2.131 60.322 58.100 0.151 0.000 1.136 619 Y CB -0.508 38.057 38.460 0.175 0.000 0.975 619 Y HN 0.295 nan 8.280 nan 0.000 0.498 620 F N 1.431 121.535 119.950 0.257 0.000 2.091 620 F HA -0.331 4.195 4.527 -0.001 0.000 0.299 620 F C 1.989 177.852 175.800 0.104 0.000 1.103 620 F CA 2.233 60.380 58.000 0.245 0.000 1.228 620 F CB -0.603 38.594 39.000 0.329 0.000 0.984 620 F HN 0.081 nan 8.300 nan 0.000 0.477 621 N N 0.467 119.285 118.700 0.197 0.000 2.520 621 N HA -0.048 4.691 4.740 -0.001 0.000 0.185 621 N C 1.467 176.926 175.510 -0.085 0.000 1.068 621 N CA 0.971 54.050 53.050 0.048 0.000 0.911 621 N CB -0.372 38.150 38.487 0.057 0.000 0.961 621 N HN 0.426 nan 8.380 nan 0.000 0.446 622 A N 0.116 122.865 122.820 -0.120 0.000 2.275 622 A HA 0.087 4.406 4.320 -0.001 0.000 0.212 622 A C 1.277 178.811 177.584 -0.084 0.000 1.201 622 A CA 0.180 52.119 52.037 -0.164 0.000 0.843 622 A CB -0.123 18.686 19.000 -0.318 0.000 0.873 622 A HN 0.333 nan 8.150 nan 0.000 0.492 623 T N -4.205 110.248 114.554 -0.169 0.000 2.876 623 T HA 0.407 4.756 4.350 -0.001 0.000 0.277 623 T C 0.058 174.656 174.700 -0.170 0.000 0.997 623 T CA -0.107 61.869 62.100 -0.208 0.000 0.966 623 T CB 0.817 69.441 68.868 -0.406 0.000 1.312 623 T HN -0.072 nan 8.240 nan 0.000 0.598 624 D N -0.226 120.034 120.400 -0.234 0.000 2.340 624 D HA 0.149 4.788 4.640 -0.001 0.000 0.220 624 D C 1.827 178.125 176.300 -0.003 0.000 1.039 624 D CA 0.125 54.007 54.000 -0.195 0.000 0.866 624 D CB -0.093 40.417 40.800 -0.482 0.000 0.913 624 D HN 0.293 nan 8.370 nan 0.000 0.523 625 M N 0.355 119.893 119.600 -0.103 0.000 2.106 625 M HA -0.105 4.374 4.480 -0.001 0.000 0.259 625 M C -0.796 175.439 176.300 -0.108 0.000 1.068 625 M CA 1.403 56.618 55.300 -0.141 0.000 1.100 625 M CB -1.978 30.136 32.600 -0.809 0.000 1.351 625 M HN -0.034 nan 8.290 nan 0.000 0.404 626 P HA -0.163 nan 4.420 nan 0.000 0.220 626 P C 1.124 178.454 177.300 0.050 0.000 1.144 626 P CA 1.235 64.361 63.100 0.042 0.000 0.800 626 P CB -0.196 31.520 31.700 0.027 0.000 0.772 627 K N -2.137 118.284 120.400 0.035 0.000 2.211 627 K HA -0.124 4.196 4.320 -0.001 0.000 0.203 627 K C 1.368 177.838 176.600 -0.217 0.000 1.050 627 K CA 1.313 57.551 56.287 -0.081 0.000 0.945 627 K CB -0.255 32.185 32.500 -0.099 0.000 0.732 627 K HN 0.316 nan 8.250 nan 0.000 0.451 628 Y N -0.447 119.853 120.300 0.000 0.000 2.559 628 Y HA 0.231 4.781 4.550 -0.001 0.000 0.279 628 Y C 0.965 176.816 175.900 -0.081 0.000 1.117 628 Y CA -0.321 57.736 58.100 -0.071 0.000 1.263 628 Y CB 0.616 38.916 38.460 -0.266 0.000 1.230 628 Y HN -0.065 nan 8.280 nan 0.000 0.528 629 M N -0.919 118.750 119.600 0.114 0.000 2.534 629 M HA 0.472 4.951 4.480 -0.001 0.000 0.280 629 M C -0.655 175.831 176.300 0.311 0.000 1.217 629 M CA -0.925 54.467 55.300 0.153 0.000 0.893 629 M CB 1.908 34.565 32.600 0.094 0.000 1.730 629 M HN -0.010 nan 8.290 nan 0.000 0.483 630 T N -1.777 112.920 114.554 0.237 0.000 2.788 630 T HA 0.126 4.475 4.350 -0.001 0.000 0.287 630 T C 0.791 175.600 174.700 0.183 0.000 1.007 630 T CA -0.429 61.835 62.100 0.273 0.000 1.005 630 T CB 1.195 70.157 68.868 0.158 0.000 1.012 630 T HN 0.941 nan 8.240 nan 0.000 0.530 631 W N 1.296 122.517 121.300 -0.132 0.000 2.333 631 W HA -0.194 4.465 4.660 -0.001 0.000 0.316 631 W C 1.165 177.575 176.519 -0.182 0.000 1.215 631 W CA 1.820 58.849 57.345 -0.527 0.000 1.278 631 W CB -0.497 28.750 29.460 -0.355 0.000 1.154 631 W HN 0.718 nan 8.180 nan 0.000 0.486 632 D N 0.428 120.740 120.400 -0.146 0.000 2.116 632 D HA -0.236 4.403 4.640 -0.001 0.000 0.193 632 D C 1.952 178.161 176.300 -0.151 0.000 0.998 632 D CA 2.202 56.085 54.000 -0.194 0.000 0.836 632 D CB -0.682 40.091 40.800 -0.045 0.000 0.951 632 D HN 0.428 nan 8.370 nan 0.000 0.449 633 E N -0.550 119.611 120.200 -0.065 0.000 2.077 633 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 633 E C 1.969 178.538 176.600 -0.052 0.000 0.989 633 E CA 0.460 56.843 56.400 -0.029 0.000 0.800 633 E CB -0.217 29.504 29.700 0.035 0.000 0.746 633 E HN 0.243 nan 8.360 nan 0.000 0.452 634 F N 0.918 120.727 119.950 -0.235 0.000 2.146 634 F HA -0.168 4.358 4.527 -0.001 0.000 0.298 634 F C 2.001 177.597 175.800 -0.339 0.000 1.096 634 F CA 1.031 58.883 58.000 -0.247 0.000 1.275 634 F CB -0.352 38.488 39.000 -0.267 0.000 1.008 634 F HN -0.058 nan 8.300 nan 0.000 0.480 635 F N 1.317 120.789 119.950 -0.796 0.000 2.126 635 F HA -0.209 4.317 4.527 -0.001 0.000 0.299 635 F C 2.517 178.021 175.800 -0.494 0.000 1.096 635 F CA 2.326 59.822 58.000 -0.839 0.000 1.255 635 F CB -0.578 37.830 39.000 -0.987 0.000 0.997 635 F HN -0.028 nan 8.300 nan 0.000 0.479 636 K N 0.324 120.561 120.400 -0.272 0.000 2.025 636 K HA -0.214 4.105 4.320 -0.001 0.000 0.207 636 K C 2.355 178.798 176.600 -0.261 0.000 1.049 636 K CA 1.505 57.664 56.287 -0.214 0.000 0.933 636 K CB -0.239 32.207 32.500 -0.090 0.000 0.714 636 K HN 0.218 nan 8.250 nan 0.000 0.438 637 K N -1.088 119.148 120.400 -0.274 0.000 2.057 637 K HA -0.112 4.208 4.320 -0.001 0.000 0.206 637 K C 1.175 177.601 176.600 -0.289 0.000 1.050 637 K CA 1.622 57.754 56.287 -0.258 0.000 0.935 637 K CB 0.024 32.377 32.500 -0.244 0.000 0.715 637 K HN 0.448 nan 8.250 nan 0.000 0.439 638 G N -0.530 107.972 108.800 -0.497 0.000 2.299 638 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.237 638 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.237 638 G C -0.039 174.704 174.900 -0.262 0.000 1.027 638 G CA 0.655 45.512 45.100 -0.404 0.000 0.619 638 G HN 0.525 nan 8.290 nan 0.000 0.513 639 Y N -2.153 118.009 120.300 -0.230 0.000 2.624 639 Y HA 0.766 5.316 4.550 -0.001 0.000 0.334 639 Y C -1.511 174.544 175.900 0.257 0.000 1.155 639 Y CA -2.363 55.759 58.100 0.036 0.000 1.046 639 Y CB 0.950 39.411 38.460 0.003 0.000 1.316 639 Y HN 0.706 nan 8.280 nan 0.000 0.457 640 F N 2.412 122.456 119.950 0.156 0.000 2.561 640 F HA 0.716 5.242 4.527 -0.001 0.000 0.313 640 F C -1.877 173.877 175.800 -0.077 0.000 1.126 640 F CA -1.275 56.707 58.000 -0.030 0.000 0.918 640 F CB 1.968 41.026 39.000 0.097 0.000 1.199 640 F HN 0.512 nan 8.300 nan 0.000 0.444 641 V N 6.752 126.114 119.914 -0.919 0.000 2.348 641 V HA 0.268 4.387 4.120 -0.001 0.000 0.270 641 V C -0.167 175.140 176.094 -1.311 0.000 1.037 641 V CA -0.831 60.948 62.300 -0.867 0.000 0.872 641 V CB 0.950 32.273 31.823 -0.834 0.000 1.002 641 V HN 0.601 nan 8.190 nan 0.000 0.464 642 V N 8.521 127.853 119.914 -0.969 0.000 2.599 642 V HA 0.093 4.212 4.120 -0.001 0.000 0.300 642 V C -1.745 173.989 176.094 -0.600 0.000 1.034 642 V CA -0.904 60.829 62.300 -0.944 0.000 1.115 642 V CB 0.461 31.841 31.823 -0.737 0.000 0.934 642 V HN 0.752 nan 8.190 nan 0.000 0.485 643 P HA 0.106 nan 4.420 nan 0.000 0.270 643 P C -0.513 176.729 177.300 -0.096 0.000 1.223 643 P CA -0.275 62.693 63.100 -0.220 0.000 0.785 643 P CB 0.411 32.064 31.700 -0.079 0.000 0.923 644 D N 0.926 121.326 120.400 0.000 0.000 2.339 644 D HA 0.050 4.689 4.640 -0.001 0.000 0.245 644 D C -0.167 176.169 176.300 0.060 0.000 1.115 644 D CA -0.011 54.028 54.000 0.064 0.000 0.917 644 D CB 0.153 41.027 40.800 0.123 0.000 1.192 644 D HN 0.086 nan 8.370 nan 0.000 0.428 645 N N 2.966 121.699 118.700 0.055 0.000 2.976 645 N HA 0.277 5.017 4.740 -0.001 0.000 0.255 645 N C -2.180 173.359 175.510 0.048 0.000 1.312 645 N CA -1.907 51.178 53.050 0.060 0.000 0.897 645 N CB 1.040 39.564 38.487 0.061 0.000 1.184 645 N HN 0.179 nan 8.380 nan 0.000 0.497 646 P HA -0.076 nan 4.420 nan 0.000 0.216 646 P C 0.502 177.830 177.300 0.046 0.000 1.150 646 P CA 1.189 64.325 63.100 0.059 0.000 0.843 646 P CB 0.375 32.113 31.700 0.064 0.000 0.787 647 N N -0.760 117.968 118.700 0.046 0.000 2.398 647 N HA 0.002 4.741 4.740 -0.001 0.000 0.188 647 N C 0.616 176.151 175.510 0.040 0.000 1.122 647 N CA 0.094 53.169 53.050 0.042 0.000 0.866 647 N CB -0.255 38.257 38.487 0.042 0.000 0.970 647 N HN 0.378 nan 8.380 nan 0.000 0.462 648 R N 1.762 122.286 120.500 0.040 0.000 2.543 648 R HA 0.122 4.461 4.340 -0.001 0.000 0.277 648 R C 0.119 176.444 176.300 0.042 0.000 1.074 648 R CA -0.501 55.625 56.100 0.044 0.000 1.076 648 R CB 0.476 30.805 30.300 0.048 0.000 0.993 648 R HN -0.015 nan 8.270 nan 0.000 0.459 649 K N 2.312 122.741 120.400 0.048 0.000 2.350 649 K HA 0.138 4.457 4.320 -0.001 0.000 0.279 649 K C -0.681 175.958 176.600 0.065 0.000 1.027 649 K CA -0.661 55.656 56.287 0.050 0.000 0.969 649 K CB 0.770 33.298 32.500 0.046 0.000 0.954 649 K HN 0.323 nan 8.250 nan 0.000 0.474 650 K N 2.411 122.850 120.400 0.065 0.000 2.298 650 K HA 0.109 4.429 4.320 -0.001 0.000 0.280 650 K C -0.264 176.399 176.600 0.105 0.000 1.032 650 K CA -0.313 56.026 56.287 0.087 0.000 0.958 650 K CB 1.245 33.784 32.500 0.065 0.000 0.978 650 K HN 0.898 nan 8.250 nan 0.000 0.472 651 T N -1.595 113.043 114.554 0.140 0.000 3.064 651 T HA 0.285 4.635 4.350 -0.001 0.000 0.367 651 T C -0.008 174.802 174.700 0.183 0.000 1.202 651 T CA -0.853 61.331 62.100 0.140 0.000 1.133 651 T CB 0.211 69.132 68.868 0.088 0.000 1.074 651 T HN 0.090 nan 8.240 nan 0.000 0.519 652 V N 3.119 123.134 119.914 0.168 0.000 2.655 652 V HA 0.472 4.592 4.120 -0.001 0.000 0.300 652 V C 1.403 177.622 176.094 0.209 0.000 1.044 652 V CA -0.541 61.852 62.300 0.156 0.000 1.095 652 V CB 0.114 32.001 31.823 0.106 0.000 0.952 652 V HN 1.144 nan 8.190 nan 0.000 0.485 653 A N 5.480 128.419 122.820 0.199 0.000 2.580 653 A HA 0.252 4.572 4.320 -0.001 0.000 0.244 653 A C 1.131 178.810 177.584 0.158 0.000 1.045 653 A CA 0.358 52.530 52.037 0.225 0.000 0.761 653 A CB -0.733 18.336 19.000 0.114 0.000 0.962 653 A HN 1.296 nan 8.150 nan 0.000 0.512 654 L N -0.239 121.069 121.223 0.142 0.000 4.988 654 L HA -0.324 4.015 4.340 -0.001 0.000 0.439 654 L C 2.038 178.798 176.870 -0.184 0.000 1.080 654 L CA 1.347 56.083 54.840 -0.172 0.000 1.018 654 L CB -1.322 40.732 42.059 -0.008 0.000 1.945 654 L HN 0.945 nan 8.230 nan 0.000 0.782 655 R N 1.197 121.703 120.500 0.010 0.000 2.096 655 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 655 R C 2.253 178.577 176.300 0.040 0.000 1.127 655 R CA 2.249 58.383 56.100 0.056 0.000 0.968 655 R CB -0.244 30.129 30.300 0.123 0.000 0.861 655 R HN 0.758 nan 8.270 nan 0.000 0.440 656 W N -0.199 121.173 121.300 0.121 0.000 2.342 656 W HA -0.214 4.445 4.660 -0.001 0.000 0.297 656 W C 1.493 178.076 176.519 0.106 0.000 1.213 656 W CA 0.339 57.737 57.345 0.089 0.000 1.251 656 W CB -1.177 28.330 29.460 0.078 0.000 1.136 656 W HN 0.074 nan 8.180 nan 0.000 0.526 657 F N 2.828 122.262 119.950 -0.860 0.000 2.163 657 F HA 0.154 4.680 4.527 -0.001 0.000 0.297 657 F C 2.624 178.219 175.800 -0.341 0.000 1.094 657 F CA 2.355 59.903 58.000 -0.755 0.000 1.290 657 F CB -0.893 37.445 39.000 -1.103 0.000 1.017 657 F HN -0.109 nan 8.300 nan 0.000 0.483 658 A N 0.155 122.767 122.820 -0.347 0.000 1.940 658 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 658 A C 1.941 179.348 177.584 -0.294 0.000 1.176 658 A CA 1.933 53.817 52.037 -0.254 0.000 0.631 658 A CB -0.834 18.259 19.000 0.155 0.000 0.814 658 A HN 0.598 nan 8.150 nan 0.000 0.446 659 E N -1.141 118.959 120.200 -0.167 0.000 2.465 659 E HA 0.301 4.651 4.350 -0.001 0.000 0.191 659 E C 0.841 177.376 176.600 -0.110 0.000 1.053 659 E CA 0.116 56.454 56.400 -0.102 0.000 0.869 659 E CB -0.129 29.565 29.700 -0.009 0.000 0.977 659 E HN 0.678 nan 8.360 nan 0.000 0.483 660 G N 3.002 111.687 108.800 -0.192 0.000 2.323 660 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.292 660 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.292 660 G C 0.130 175.038 174.900 0.014 0.000 1.040 660 G CA 1.050 46.075 45.100 -0.124 0.000 0.942 660 G HN 0.366 nan 8.290 nan 0.000 0.506 661 R N -1.622 118.945 120.500 0.112 0.000 2.960 661 R HA 0.744 5.083 4.340 -0.001 0.000 0.249 661 R C -0.424 176.009 176.300 0.223 0.000 1.192 661 R CA -1.135 55.046 56.100 0.134 0.000 1.035 661 R CB 1.033 31.397 30.300 0.106 0.000 1.234 661 R HN 0.079 nan 8.270 nan 0.000 0.493 662 E N 1.785 122.049 120.200 0.107 0.000 2.414 662 E HA -0.009 4.340 4.350 -0.001 0.000 0.263 662 E C -0.510 176.031 176.600 -0.099 0.000 1.000 662 E CA -0.067 56.339 56.400 0.010 0.000 0.914 662 E CB 0.556 30.224 29.700 -0.053 0.000 0.948 662 E HN 0.236 nan 8.360 nan 0.000 0.444 663 K N 3.134 123.244 120.400 -0.483 0.000 2.484 663 K HA -0.096 4.224 4.320 -0.001 0.000 0.280 663 K C -0.383 175.827 176.600 -0.651 0.000 1.013 663 K CA 0.392 55.918 56.287 -1.267 0.000 1.029 663 K CB 0.395 31.974 32.500 -1.535 0.000 0.902 663 K HN 0.626 nan 8.250 nan 0.000 0.481 664 D N 1.284 121.360 120.400 -0.540 0.000 2.520 664 D HA -0.022 4.617 4.640 -0.001 0.000 0.223 664 D C 0.433 176.617 176.300 -0.194 0.000 1.186 664 D CA -0.263 53.595 54.000 -0.236 0.000 0.821 664 D CB -0.048 40.714 40.800 -0.063 0.000 1.072 664 D HN 0.501 nan 8.370 nan 0.000 0.518 665 T N -2.257 112.136 114.554 -0.269 0.000 2.810 665 T HA 0.468 4.817 4.350 -0.001 0.000 0.277 665 T C -2.010 172.462 174.700 -0.380 0.000 0.973 665 T CA -1.355 60.571 62.100 -0.290 0.000 0.949 665 T CB 1.604 70.333 68.868 -0.232 0.000 1.075 665 T HN -0.329 nan 8.240 nan 0.000 0.537 666 P HA 0.236 nan 4.420 nan 0.000 0.253 666 P C -0.138 177.066 177.300 -0.160 0.000 1.260 666 P CA -0.108 62.773 63.100 -0.364 0.000 0.800 666 P CB -0.103 31.387 31.700 -0.351 0.000 1.162 667 D N -1.085 119.203 120.400 -0.186 0.000 2.419 667 D HA -0.087 4.553 4.640 -0.001 0.000 0.236 667 D C 0.253 176.660 176.300 0.178 0.000 1.165 667 D CA 0.093 54.213 54.000 0.200 0.000 0.882 667 D CB 0.396 41.406 40.800 0.350 0.000 1.201 667 D HN 0.013 nan 8.370 nan 0.000 0.443 668 W N 1.605 122.745 121.300 -0.267 0.000 3.292 668 W HA 0.366 5.026 4.660 -0.001 0.000 0.263 668 W C 0.838 176.786 176.519 -0.952 0.000 1.318 668 W CA -0.219 56.817 57.345 -0.515 0.000 1.663 668 W CB -0.421 28.679 29.460 -0.600 0.000 1.114 668 W HN 0.361 nan 8.180 nan 0.000 0.706 669 G N -0.602 107.436 108.800 -1.268 0.000 2.600 669 G HA2 0.483 4.442 3.960 -0.001 0.000 0.293 669 G HA3 0.483 4.442 3.960 -0.001 0.000 0.293 669 G C -3.057 171.088 174.900 -1.257 0.000 1.408 669 G CA -1.160 42.749 45.100 -1.985 0.000 0.782 669 G HN -0.438 nan 8.290 nan 0.000 0.482 670 P HA 0.271 nan 4.420 nan 0.000 0.274 670 P C -0.340 176.657 177.300 -0.504 0.000 1.237 670 P CA -0.343 62.289 63.100 -0.781 0.000 0.793 670 P CB 1.092 32.688 31.700 -0.172 0.000 0.977 671 R N 0.889 121.188 120.500 -0.333 0.000 2.694 671 R HA 0.152 4.491 4.340 -0.001 0.000 0.268 671 R C 1.815 178.021 176.300 -0.156 0.000 1.061 671 R CA -0.442 55.533 56.100 -0.208 0.000 1.133 671 R CB 0.058 30.291 30.300 -0.111 0.000 1.020 671 R HN 0.488 nan 8.270 nan 0.000 0.475 672 L N 2.000 123.138 121.223 -0.141 0.000 2.081 672 L HA -0.296 4.043 4.340 -0.001 0.000 0.212 672 L C 1.843 178.667 176.870 -0.077 0.000 1.080 672 L CA 2.174 56.945 54.840 -0.114 0.000 0.754 672 L CB -0.653 41.340 42.059 -0.110 0.000 0.893 672 L HN 0.762 nan 8.230 nan 0.000 0.433 673 N N -1.035 117.628 118.700 -0.062 0.000 2.459 673 N HA -0.171 4.568 4.740 -0.001 0.000 0.181 673 N C 1.065 176.559 175.510 -0.026 0.000 1.046 673 N CA 0.935 53.963 53.050 -0.037 0.000 0.904 673 N CB -0.345 38.127 38.487 -0.026 0.000 0.964 673 N HN 0.365 nan 8.380 nan 0.000 0.444 674 N N -0.753 117.927 118.700 -0.033 0.000 2.276 674 N HA 0.116 4.856 4.740 -0.001 0.000 0.212 674 N C -0.712 174.793 175.510 -0.008 0.000 1.127 674 N CA -0.077 52.965 53.050 -0.014 0.000 0.834 674 N CB 0.336 38.821 38.487 -0.004 0.000 1.014 674 N HN 0.330 nan 8.380 nan 0.000 0.491 675 Q N -0.196 119.592 119.800 -0.019 0.000 2.495 675 Q HA 0.467 4.806 4.340 -0.001 0.000 0.287 675 Q C -1.302 174.695 176.000 -0.005 0.000 1.078 675 Q CA -0.849 54.952 55.803 -0.004 0.000 0.793 675 Q CB 3.003 31.725 28.738 -0.026 0.000 1.459 675 Q HN -0.102 nan 8.270 nan 0.000 0.422 676 V N 1.187 121.108 119.914 0.011 0.000 2.328 676 V HA 0.120 4.240 4.120 -0.001 0.000 0.278 676 V C -0.107 175.988 176.094 0.002 0.000 1.021 676 V CA -0.340 61.963 62.300 0.005 0.000 0.838 676 V CB 0.938 32.770 31.823 0.014 0.000 0.999 676 V HN 1.077 nan 8.190 nan 0.000 0.447 677 C N 5.132 124.423 119.300 -0.014 0.000 4.432 677 C HA -0.157 4.303 4.460 -0.001 0.000 0.294 677 C C 1.436 176.408 174.990 -0.029 0.000 1.398 677 C CA 0.754 59.759 59.018 -0.021 0.000 1.988 677 C CB -2.496 25.237 27.740 -0.010 0.000 1.251 677 C HN 1.115 nan 8.230 nan 0.000 0.791 678 R N -1.763 118.708 120.500 -0.047 0.000 3.770 678 R HA -0.204 4.135 4.340 -0.001 0.000 0.305 678 R C -0.044 176.227 176.300 -0.049 0.000 1.184 678 R CA 1.535 57.585 56.100 -0.084 0.000 0.823 678 R CB -1.086 29.143 30.300 -0.118 0.000 1.285 678 R HN 0.753 nan 8.270 nan 0.000 0.499 679 K N 0.220 120.642 120.400 0.036 0.000 2.328 679 K HA 0.669 4.988 4.320 -0.001 0.000 0.246 679 K C 0.429 177.170 176.600 0.236 0.000 0.955 679 K CA -0.134 56.247 56.287 0.156 0.000 0.817 679 K CB 2.087 34.658 32.500 0.119 0.000 1.208 679 K HN 0.210 nan 8.250 nan 0.000 0.432 680 G N 0.791 109.855 108.800 0.441 0.000 2.746 680 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.685 680 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.685 680 G C -0.584 174.550 174.900 0.389 0.000 1.350 680 G CA -0.973 44.376 45.100 0.416 0.000 0.837 680 G HN 0.403 nan 8.290 nan 0.000 0.564 681 L N 0.320 121.660 121.223 0.195 0.000 2.476 681 L HA 0.286 4.626 4.340 -0.001 0.000 0.255 681 L C 2.256 179.146 176.870 0.033 0.000 1.218 681 L CA 0.254 55.086 54.840 -0.015 0.000 0.819 681 L CB 0.676 42.598 42.059 -0.228 0.000 1.119 681 L HN 0.907 nan 8.230 nan 0.000 0.485 682 Q N 0.316 120.114 119.800 -0.003 0.000 2.364 682 Q HA -0.084 4.255 4.340 -0.001 0.000 0.207 682 Q C 0.540 176.554 176.000 0.023 0.000 0.970 682 Q CA 0.799 56.628 55.803 0.044 0.000 0.888 682 Q CB 0.009 28.825 28.738 0.130 0.000 0.951 682 Q HN 0.833 nan 8.270 nan 0.000 0.469 683 T N -2.337 112.225 114.554 0.013 0.000 2.855 683 T HA 0.010 4.359 4.350 -0.001 0.000 0.314 683 T C 1.045 175.758 174.700 0.021 0.000 1.077 683 T CA 0.201 62.316 62.100 0.025 0.000 1.095 683 T CB 1.024 69.917 68.868 0.042 0.000 0.987 683 T HN 0.061 nan 8.240 nan 0.000 0.546 684 T N 1.693 116.253 114.554 0.011 0.000 2.665 684 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 684 T C 2.246 176.935 174.700 -0.017 0.000 1.035 684 T CA 2.317 64.415 62.100 -0.003 0.000 1.151 684 T CB -0.966 67.896 68.868 -0.010 0.000 0.862 684 T HN 1.001 nan 8.240 nan 0.000 0.438 685 T N -1.314 113.209 114.554 -0.052 0.000 3.085 685 T HA 0.317 4.666 4.350 -0.001 0.000 0.263 685 T C 1.808 176.526 174.700 0.031 0.000 1.127 685 T CA 1.003 63.070 62.100 -0.054 0.000 1.103 685 T CB -0.275 68.490 68.868 -0.171 0.000 0.921 685 T HN 0.599 nan 8.240 nan 0.000 0.510 686 G N 1.134 109.969 108.800 0.058 0.000 2.162 686 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 686 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 686 G C -0.011 175.015 174.900 0.209 0.000 0.976 686 G CA 0.516 45.687 45.100 0.118 0.000 0.655 686 G HN 0.707 nan 8.290 nan 0.000 0.533 687 K N -0.921 119.591 120.400 0.188 0.000 2.316 687 K HA 0.703 5.022 4.320 -0.001 0.000 0.234 687 K C 0.027 176.774 176.600 0.245 0.000 1.054 687 K CA -1.017 55.448 56.287 0.298 0.000 0.879 687 K CB 2.038 34.698 32.500 0.267 0.000 1.252 687 K HN -0.001 nan 8.250 nan 0.000 0.471 688 V N 2.403 122.512 119.914 0.324 0.000 2.439 688 V HA 0.033 4.152 4.120 -0.001 0.000 0.271 688 V C -0.275 175.976 176.094 0.261 0.000 1.040 688 V CA 0.070 62.506 62.300 0.226 0.000 1.002 688 V CB 0.287 32.264 31.823 0.257 0.000 1.000 688 V HN 0.590 nan 8.190 nan 0.000 0.477 689 E N 4.667 124.960 120.200 0.155 0.000 2.014 689 E HA 0.241 4.590 4.350 -0.001 0.000 0.275 689 E C -0.114 176.545 176.600 0.097 0.000 0.997 689 E CA -0.263 56.288 56.400 0.253 0.000 0.804 689 E CB 0.658 30.504 29.700 0.243 0.000 1.090 689 E HN 0.604 nan 8.360 nan 0.000 0.401 690 F N 1.512 121.488 119.950 0.044 0.000 2.365 690 F HA 0.024 4.550 4.527 -0.001 0.000 0.300 690 F C 1.030 176.844 175.800 0.023 0.000 1.090 690 F CA 0.683 58.625 58.000 -0.097 0.000 1.408 690 F CB 0.244 39.124 39.000 -0.200 0.000 1.060 690 F HN 0.338 nan 8.300 nan 0.000 0.534 691 I N 0.480 121.200 120.570 0.251 0.000 2.464 691 I HA 0.319 4.488 4.170 -0.001 0.000 0.277 691 I C -0.102 176.151 176.117 0.228 0.000 1.040 691 I CA -0.883 60.538 61.300 0.202 0.000 1.153 691 I CB 0.858 38.953 38.000 0.159 0.000 1.274 691 I HN -0.183 nan 8.210 nan 0.000 0.469 692 A N 4.005 126.922 122.820 0.163 0.000 2.522 692 A HA 0.219 4.538 4.320 -0.001 0.000 0.256 692 A C 1.523 179.198 177.584 0.152 0.000 1.086 692 A CA 0.220 52.349 52.037 0.153 0.000 0.763 692 A CB 0.081 19.155 19.000 0.123 0.000 1.024 692 A HN 0.855 nan 8.150 nan 0.000 0.502 693 T N 0.468 115.113 114.554 0.151 0.000 2.821 693 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 693 T C 1.960 176.723 174.700 0.105 0.000 1.046 693 T CA 1.707 63.880 62.100 0.123 0.000 1.139 693 T CB -0.714 68.196 68.868 0.071 0.000 0.871 693 T HN 1.042 nan 8.240 nan 0.000 0.454 694 S N 2.462 118.227 115.700 0.108 0.000 2.356 694 S HA -0.006 4.463 4.470 -0.001 0.000 0.223 694 S C 2.129 176.767 174.600 0.063 0.000 1.032 694 S CA 1.084 59.345 58.200 0.102 0.000 1.005 694 S CB -1.057 62.250 63.200 0.178 0.000 0.867 694 S HN 0.514 nan 8.310 nan 0.000 0.449 695 L N 1.247 122.473 121.223 0.005 0.000 2.093 695 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 695 L C 2.914 179.863 176.870 0.131 0.000 1.085 695 L CA 1.468 56.314 54.840 0.010 0.000 0.755 695 L CB -0.480 41.539 42.059 -0.068 0.000 0.904 695 L HN 0.372 nan 8.230 nan 0.000 0.435 696 K N 0.696 121.165 120.400 0.114 0.000 2.057 696 K HA -0.182 4.137 4.320 -0.001 0.000 0.207 696 K C 1.759 178.432 176.600 0.122 0.000 1.049 696 K CA 1.650 58.007 56.287 0.116 0.000 0.931 696 K CB -0.039 32.530 32.500 0.116 0.000 0.714 696 K HN 0.396 nan 8.250 nan 0.000 0.440 697 N N -0.404 118.374 118.700 0.130 0.000 2.084 697 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 697 N C 1.725 177.344 175.510 0.181 0.000 1.030 697 N CA 1.181 54.311 53.050 0.132 0.000 0.849 697 N CB -0.204 38.357 38.487 0.123 0.000 1.012 697 N HN 0.082 nan 8.380 nan 0.000 0.423 698 F N 2.603 122.561 119.950 0.013 0.000 2.095 698 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 698 F C 2.372 178.224 175.800 0.087 0.000 1.104 698 F CA 1.596 59.596 58.000 0.000 0.000 1.232 698 F CB -0.385 38.561 39.000 -0.091 0.000 0.987 698 F HN 0.146 nan 8.300 nan 0.000 0.475 699 E N -0.639 119.627 120.200 0.109 0.000 2.150 699 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 699 E C 1.780 178.376 176.600 -0.008 0.000 0.985 699 E CA 1.460 57.864 56.400 0.007 0.000 0.814 699 E CB -0.747 28.995 29.700 0.070 0.000 0.752 699 E HN 0.565 nan 8.360 nan 0.000 0.466 700 E N 0.838 121.058 120.200 0.033 0.000 2.285 700 E HA -0.106 4.244 4.350 -0.001 0.000 0.194 700 E C 1.774 178.373 176.600 -0.001 0.000 0.997 700 E CA 0.499 56.910 56.400 0.019 0.000 0.845 700 E CB 0.055 29.780 29.700 0.043 0.000 0.782 700 E HN 0.371 nan 8.360 nan 0.000 0.491 701 Q N -0.708 119.100 119.800 0.013 0.000 2.444 701 Q HA 0.036 4.375 4.340 -0.001 0.000 0.206 701 Q C 0.984 176.903 176.000 -0.134 0.000 0.948 701 Q CA 0.548 56.356 55.803 0.010 0.000 0.946 701 Q CB 0.734 29.556 28.738 0.140 0.000 1.027 701 Q HN 0.393 nan 8.270 nan 0.000 0.513 702 G N -0.347 108.340 108.800 -0.188 0.000 2.184 702 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.206 702 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.206 702 G C -0.406 174.211 174.900 -0.473 0.000 0.995 702 G CA -0.589 44.321 45.100 -0.315 0.000 0.651 702 G HN 0.314 nan 8.290 nan 0.000 0.511 703 Y N 2.199 122.184 120.300 -0.525 0.000 2.636 703 Y HA 0.462 5.011 4.550 -0.001 0.000 0.334 703 Y C 0.984 176.684 175.900 -0.332 0.000 1.286 703 Y CA -1.055 56.602 58.100 -0.739 0.000 1.688 703 Y CB 0.082 37.306 38.460 -2.061 0.000 1.662 703 Y HN 0.065 nan 8.280 nan 0.000 0.465 704 I N 2.661 123.248 120.570 0.027 0.000 2.533 704 I HA 0.046 4.215 4.170 -0.001 0.000 0.284 704 I C 0.120 176.382 176.117 0.243 0.000 1.109 704 I CA 0.025 61.385 61.300 0.101 0.000 1.412 704 I CB 0.594 38.620 38.000 0.043 0.000 1.396 704 I HN 0.473 nan 8.210 nan 0.000 0.543 705 D N 5.307 125.845 120.400 0.230 0.000 2.323 705 D HA 0.075 4.714 4.640 -0.001 0.000 0.242 705 D C 0.785 177.187 176.300 0.169 0.000 1.347 705 D CA -0.344 53.808 54.000 0.253 0.000 0.988 705 D CB 0.920 41.980 40.800 0.434 0.000 1.314 705 D HN 0.657 nan 8.370 nan 0.000 0.564 706 E N 1.710 121.975 120.200 0.109 0.000 2.118 706 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 706 E C 0.235 176.785 176.600 -0.085 0.000 0.992 706 E CA 1.227 57.626 56.400 -0.002 0.000 0.804 706 E CB 0.126 29.794 29.700 -0.053 0.000 0.741 706 E HN 0.512 nan 8.360 nan 0.000 0.458 707 H N -0.839 118.301 119.070 0.118 0.000 2.555 707 H HA 0.251 4.807 4.556 -0.001 0.000 0.283 707 H C 0.106 175.525 175.328 0.153 0.000 1.037 707 H CA 0.279 56.416 56.048 0.149 0.000 1.169 707 H CB 0.295 30.183 29.762 0.211 0.000 1.375 707 H HN -0.099 nan 8.280 nan 0.000 0.582 708 R N 1.325 121.947 120.500 0.203 0.000 2.640 708 R HA 0.136 4.476 4.340 -0.001 0.000 0.240 708 R C -3.163 173.226 176.300 0.148 0.000 1.519 708 R CA -1.437 54.776 56.100 0.189 0.000 1.570 708 R CB 0.594 31.031 30.300 0.228 0.000 1.446 708 R HN 0.116 nan 8.270 nan 0.000 0.738 709 P HA 0.041 nan 4.420 nan 0.000 0.272 709 P C 0.621 177.974 177.300 0.089 0.000 1.223 709 P CA 0.057 63.207 63.100 0.083 0.000 0.784 709 P CB 1.420 33.144 31.700 0.039 0.000 0.923 710 S N 1.920 117.671 115.700 0.085 0.000 2.399 710 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 710 S C 1.131 175.794 174.600 0.105 0.000 1.022 710 S CA 0.574 58.827 58.200 0.088 0.000 0.983 710 S CB -0.500 62.757 63.200 0.096 0.000 0.803 710 S HN 0.591 nan 8.310 nan 0.000 0.480 711 M N 2.487 122.150 119.600 0.104 0.000 2.209 711 M HA 0.291 4.771 4.480 -0.001 0.000 0.355 711 M C -0.477 175.935 176.300 0.186 0.000 1.171 711 M CA -0.697 54.693 55.300 0.149 0.000 1.069 711 M CB 0.916 33.585 32.600 0.115 0.000 1.622 711 M HN 0.317 nan 8.290 nan 0.000 0.459 712 H N 4.246 123.418 119.070 0.171 0.000 3.138 712 H HA 0.267 4.822 4.556 -0.001 0.000 0.275 712 H C -0.930 174.700 175.328 0.504 0.000 0.997 712 H CA 0.791 56.990 56.048 0.252 0.000 1.460 712 H CB 0.083 29.903 29.762 0.097 0.000 1.524 712 H HN 0.734 nan 8.280 nan 0.000 0.532 713 T N 1.592 116.216 114.554 0.117 0.000 2.838 713 T HA 0.170 4.519 4.350 -0.001 0.000 0.292 713 T C -0.706 174.080 174.700 0.144 0.000 1.113 713 T CA -1.023 60.980 62.100 -0.160 0.000 1.008 713 T CB 0.588 69.096 68.868 -0.601 0.000 1.259 713 T HN 0.460 nan 8.240 nan 0.000 0.520 714 Y N 1.921 122.116 120.300 -0.175 0.000 2.568 714 Y HA 0.487 5.036 4.550 -0.001 0.000 0.338 714 Y C -0.461 175.533 175.900 0.157 0.000 1.245 714 Y CA -1.002 57.130 58.100 0.052 0.000 1.667 714 Y CB -0.639 37.725 38.460 -0.160 0.000 1.568 714 Y HN 0.494 nan 8.280 nan 0.000 0.471 715 V N 8.626 128.514 119.914 -0.043 0.000 2.408 715 V HA 0.208 4.327 4.120 -0.001 0.000 0.267 715 V C -1.991 173.971 176.094 -0.219 0.000 1.047 715 V CA -1.954 60.289 62.300 -0.095 0.000 0.937 715 V CB 0.604 32.442 31.823 0.024 0.000 0.999 715 V HN 0.627 nan 8.190 nan 0.000 0.472 716 P HA 0.141 nan 4.420 nan 0.000 0.267 716 P C -0.100 177.168 177.300 -0.054 0.000 1.205 716 P CA 0.102 62.934 63.100 -0.445 0.000 0.765 716 P CB 0.486 31.729 31.700 -0.762 0.000 0.828 717 A N 5.168 128.005 122.820 0.030 0.000 2.548 717 A HA -0.011 4.309 4.320 -0.001 0.000 0.247 717 A C 1.352 178.972 177.584 0.060 0.000 1.067 717 A CA -0.406 51.627 52.037 -0.007 0.000 0.757 717 A CB -0.390 18.562 19.000 -0.080 0.000 0.996 717 A HN 0.839 nan 8.150 nan 0.000 0.504 718 W N 1.650 123.003 121.300 0.087 0.000 2.525 718 W HA 0.021 4.681 4.660 -0.001 0.000 0.259 718 W C 0.211 176.761 176.519 0.052 0.000 1.253 718 W CA 0.751 58.125 57.345 0.049 0.000 1.262 718 W CB -0.177 29.211 29.460 -0.120 0.000 1.122 718 W HN 0.746 nan 8.180 nan 0.000 0.607 719 E N 2.200 122.405 120.200 0.008 0.000 3.037 719 E HA 0.212 4.561 4.350 -0.001 0.000 0.220 719 E C -0.612 175.966 176.600 -0.038 0.000 1.142 719 E CA -0.177 56.259 56.400 0.059 0.000 0.888 719 E CB 0.399 30.103 29.700 0.006 0.000 1.329 719 E HN 0.057 nan 8.360 nan 0.000 0.409 720 S N 1.173 116.901 115.700 0.045 0.000 2.667 720 S HA 0.274 4.743 4.470 -0.001 0.000 0.292 720 S C 0.871 175.484 174.600 0.022 0.000 1.126 720 S CA -0.790 57.423 58.200 0.021 0.000 0.881 720 S CB 1.644 64.898 63.200 0.089 0.000 1.132 720 S HN 0.370 nan 8.310 nan 0.000 0.492 721 Q N 0.590 120.377 119.800 -0.022 0.000 2.167 721 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 721 Q C 1.577 177.525 176.000 -0.087 0.000 0.970 721 Q CA 1.449 57.227 55.803 -0.041 0.000 0.855 721 Q CB -0.269 28.439 28.738 -0.051 0.000 0.911 721 Q HN 0.848 nan 8.270 nan 0.000 0.438 722 K N -1.355 118.932 120.400 -0.188 0.000 2.358 722 K HA 0.077 4.397 4.320 -0.001 0.000 0.200 722 K C 0.613 176.956 176.600 -0.428 0.000 1.030 722 K CA 0.198 56.292 56.287 -0.321 0.000 1.097 722 K CB 0.562 32.810 32.500 -0.420 0.000 0.862 722 K HN 0.138 nan 8.250 nan 0.000 0.534 723 H N -0.223 118.881 119.070 0.056 0.000 3.058 723 H HA 0.185 4.740 4.556 -0.001 0.000 0.266 723 H C -0.397 174.992 175.328 0.102 0.000 1.135 723 H CA -0.196 55.904 56.048 0.086 0.000 1.174 723 H CB 1.273 31.100 29.762 0.109 0.000 1.581 723 H HN 0.116 nan 8.280 nan 0.000 0.553 724 S N 1.604 117.400 115.700 0.161 0.000 2.454 724 S HA 0.290 4.759 4.470 -0.001 0.000 0.306 724 S C -1.839 172.817 174.600 0.095 0.000 1.100 724 S CA -1.490 56.801 58.200 0.151 0.000 1.087 724 S CB 1.732 65.030 63.200 0.164 0.000 1.019 724 S HN -0.131 nan 8.310 nan 0.000 0.480 725 P HA -0.037 nan 4.420 nan 0.000 0.221 725 P C 1.110 178.429 177.300 0.033 0.000 1.145 725 P CA 0.478 63.608 63.100 0.051 0.000 0.795 725 P CB 0.135 31.867 31.700 0.053 0.000 0.775 726 L N -0.697 120.567 121.223 0.070 0.000 2.275 726 L HA -0.059 4.280 4.340 -0.001 0.000 0.215 726 L C 2.256 179.142 176.870 0.027 0.000 1.119 726 L CA 1.245 56.133 54.840 0.080 0.000 0.790 726 L CB -1.789 40.391 42.059 0.201 0.000 0.919 726 L HN -0.071 nan 8.230 nan 0.000 0.443 727 A N -1.225 121.613 122.820 0.029 0.000 2.125 727 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 727 A C 2.339 179.892 177.584 -0.052 0.000 1.156 727 A CA 1.455 53.494 52.037 0.003 0.000 0.671 727 A CB -0.599 18.401 19.000 -0.000 0.000 0.794 727 A HN 0.228 nan 8.150 nan 0.000 0.459 728 V N -0.148 119.718 119.914 -0.080 0.000 2.307 728 V HA -0.236 3.883 4.120 -0.001 0.000 0.245 728 V C 2.402 178.394 176.094 -0.171 0.000 1.045 728 V CA 2.338 64.579 62.300 -0.099 0.000 1.024 728 V CB -0.536 31.238 31.823 -0.081 0.000 0.651 728 V HN 0.545 nan 8.190 nan 0.000 0.449 729 K N -1.096 119.102 120.400 -0.338 0.000 2.137 729 K HA 0.015 4.335 4.320 -0.001 0.000 0.202 729 K C -0.060 176.158 176.600 -0.638 0.000 1.052 729 K CA 0.779 56.708 56.287 -0.597 0.000 0.961 729 K CB 0.141 32.005 32.500 -1.060 0.000 0.741 729 K HN 0.473 nan 8.250 nan 0.000 0.452 730 Y N 0.748 121.017 120.300 -0.050 0.000 2.863 730 Y HA 0.215 4.764 4.550 -0.001 0.000 0.348 730 Y C -2.021 173.833 175.900 -0.076 0.000 1.028 730 Y CA -3.142 54.893 58.100 -0.107 0.000 1.213 730 Y CB 0.735 39.125 38.460 -0.118 0.000 1.120 730 Y HN 0.004 nan 8.280 nan 0.000 0.598 731 P HA -0.091 nan 4.420 nan 0.000 0.226 731 P C 0.070 177.369 177.300 -0.002 0.000 1.153 731 P CA 0.930 64.029 63.100 -0.002 0.000 0.777 731 P CB 0.914 32.603 31.700 -0.018 0.000 0.794 732 L N 0.229 121.451 121.223 -0.002 0.000 2.305 732 L HA 0.456 4.795 4.340 -0.001 0.000 0.281 732 L C 1.083 177.942 176.870 -0.018 0.000 1.085 732 L CA -0.754 54.077 54.840 -0.015 0.000 0.813 732 L CB 1.038 43.081 42.059 -0.026 0.000 1.157 732 L HN -0.109 nan 8.230 nan 0.000 0.436 733 G N 4.108 112.897 108.800 -0.019 0.000 2.320 733 G HA2 0.499 4.459 3.960 -0.001 0.000 0.300 733 G HA3 0.499 4.459 3.960 -0.001 0.000 0.300 733 G C -0.647 174.236 174.900 -0.028 0.000 1.126 733 G CA -0.464 44.621 45.100 -0.025 0.000 0.896 733 G HN 0.562 nan 8.290 nan 0.000 0.436 734 M N 3.781 123.355 119.600 -0.043 0.000 2.364 734 M HA 0.688 5.167 4.480 -0.001 0.000 0.334 734 M C -0.899 175.364 176.300 -0.061 0.000 1.107 734 M CA -1.006 54.261 55.300 -0.055 0.000 0.988 734 M CB 1.653 34.209 32.600 -0.073 0.000 1.673 734 M HN 0.474 nan 8.290 nan 0.000 0.441 735 L N 2.785 123.963 121.223 -0.075 0.000 2.346 735 L HA 0.859 5.199 4.340 -0.001 0.000 0.274 735 L C -0.838 175.914 176.870 -0.195 0.000 1.007 735 L CA -0.576 54.218 54.840 -0.077 0.000 0.818 735 L CB 2.144 44.202 42.059 -0.002 0.000 1.284 735 L HN 0.768 nan 8.230 nan 0.000 0.424 736 S N 0.797 116.420 115.700 -0.129 0.000 2.216 736 S HA 0.555 5.024 4.470 -0.001 0.000 0.156 736 S C -2.649 171.976 174.600 0.042 0.000 1.665 736 S CA -1.070 57.052 58.200 -0.129 0.000 1.262 736 S CB 0.331 63.498 63.200 -0.055 0.000 1.207 736 S HN 0.552 nan 8.310 nan 0.000 0.427 737 P HA 0.181 nan 4.420 nan 0.000 0.282 737 P C -0.126 177.477 177.300 0.506 0.000 1.286 737 P CA -0.374 62.927 63.100 0.334 0.000 0.777 737 P CB 0.245 32.171 31.700 0.377 0.000 1.184 738 H N 0.307 119.463 119.070 0.144 0.000 2.732 738 H HA 0.101 4.656 4.556 -0.001 0.000 0.351 738 H C -1.646 173.498 175.328 -0.308 0.000 1.090 738 H CA -1.663 54.361 56.048 -0.039 0.000 1.431 738 H CB -0.237 29.404 29.762 -0.202 0.000 1.447 738 H HN 0.349 nan 8.280 nan 0.000 0.582 739 P HA -0.073 nan 4.420 nan 0.000 0.264 739 P C 0.580 177.492 177.300 -0.647 0.000 1.193 739 P CA -0.048 62.742 63.100 -0.517 0.000 0.763 739 P CB 1.078 32.796 31.700 0.030 0.000 0.810 740 R N 4.092 123.985 120.500 -1.012 0.000 2.081 740 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 740 R C 1.045 176.924 176.300 -0.702 0.000 1.131 740 R CA 1.851 57.451 56.100 -0.834 0.000 0.960 740 R CB -1.113 28.578 30.300 -1.015 0.000 0.856 740 R HN 0.448 nan 8.270 nan 0.000 0.436 741 F N -0.233 119.662 119.950 -0.091 0.000 2.730 741 F HA 0.442 4.968 4.527 -0.001 0.000 0.295 741 F C 0.084 175.881 175.800 -0.006 0.000 1.143 741 F CA -0.237 57.729 58.000 -0.057 0.000 1.367 741 F CB 0.513 39.390 39.000 -0.204 0.000 0.970 741 F HN -0.060 nan 8.300 nan 0.000 0.514 742 S N 0.619 116.382 115.700 0.105 0.000 2.537 742 S HA 0.430 4.899 4.470 -0.001 0.000 0.271 742 S C -1.007 173.257 174.600 -0.560 0.000 1.148 742 S CA -0.708 57.424 58.200 -0.113 0.000 0.868 742 S CB 1.214 64.409 63.200 -0.007 0.000 1.115 742 S HN 0.025 nan 8.310 nan 0.000 0.461 743 M N 5.572 124.578 119.600 -0.991 0.000 2.725 743 M HA 0.308 4.788 4.480 -0.001 0.000 0.322 743 M C 0.408 176.487 176.300 -0.368 0.000 1.393 743 M CA 0.862 55.626 55.300 -0.892 0.000 1.452 743 M CB -1.964 30.126 32.600 -0.850 0.000 1.242 743 M HN 0.955 nan 8.290 nan 0.000 0.487 744 H N 0.292 119.204 119.070 -0.264 0.000 1.452 744 H HA -0.261 4.294 4.556 -0.001 0.000 0.090 744 H C 1.232 176.488 175.328 -0.120 0.000 0.692 744 H CA 2.589 58.531 56.048 -0.177 0.000 1.901 744 H CB -1.443 28.229 29.762 -0.150 0.000 2.257 744 H HN 0.606 nan 8.280 nan 0.000 0.961 745 T N 0.401 114.990 114.554 0.058 0.000 3.085 745 T HA 0.126 4.475 4.350 -0.001 0.000 0.263 745 T C 1.325 175.965 174.700 -0.100 0.000 1.127 745 T CA 1.067 63.146 62.100 -0.034 0.000 1.103 745 T CB -0.146 68.686 68.868 -0.060 0.000 0.921 745 T HN 0.274 nan 8.240 nan 0.000 0.510 746 M N 2.022 121.570 119.600 -0.085 0.000 2.775 746 M HA 0.484 4.963 4.480 -0.001 0.000 0.313 746 M C 1.275 177.482 176.300 -0.156 0.000 1.429 746 M CA 0.134 55.354 55.300 -0.134 0.000 1.494 746 M CB 0.303 32.924 32.600 0.034 0.000 1.274 746 M HN 0.548 nan 8.290 nan 0.000 0.491 747 G N 1.053 109.722 108.800 -0.219 0.000 3.967 747 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.210 747 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.210 747 G C -0.269 174.540 174.900 -0.152 0.000 1.127 747 G CA -0.615 44.400 45.100 -0.142 0.000 0.887 747 G HN 0.537 nan 8.290 nan 0.000 0.367 748 D N 0.916 121.286 120.400 -0.049 0.000 2.357 748 D HA 0.495 5.134 4.640 -0.001 0.000 0.242 748 D C 1.392 177.663 176.300 -0.048 0.000 1.153 748 D CA 2.023 56.097 54.000 0.124 0.000 0.918 748 D CB 0.588 41.601 40.800 0.356 0.000 1.181 748 D HN 1.369 nan 8.370 nan 0.000 0.435 749 G N 1.986 110.784 108.800 -0.004 0.000 2.574 749 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.282 749 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.282 749 G C 0.211 174.995 174.900 -0.192 0.000 1.257 749 G CA 0.531 45.568 45.100 -0.105 0.000 0.956 749 G HN 0.900 nan 8.290 nan 0.000 0.560 750 K N -1.085 119.199 120.400 -0.194 0.000 3.274 750 K HA -0.325 3.994 4.320 -0.001 0.000 0.305 750 K C 0.791 177.303 176.600 -0.145 0.000 1.225 750 K CA 1.339 57.494 56.287 -0.219 0.000 0.904 750 K CB -1.370 30.801 32.500 -0.548 0.000 1.227 750 K HN 1.812 nan 8.250 nan 0.000 0.453 751 N N -0.309 118.319 118.700 -0.119 0.000 2.725 751 N HA -0.193 4.547 4.740 -0.001 0.000 0.249 751 N C -0.246 175.207 175.510 -0.096 0.000 1.103 751 N CA 1.093 54.094 53.050 -0.082 0.000 0.707 751 N CB -0.753 37.726 38.487 -0.012 0.000 1.043 751 N HN 0.616 nan 8.380 nan 0.000 0.553 752 S N -1.351 114.241 115.700 -0.180 0.000 2.624 752 S HA 0.241 4.711 4.470 -0.001 0.000 0.263 752 S C 1.286 175.859 174.600 -0.046 0.000 1.287 752 S CA -0.341 57.721 58.200 -0.229 0.000 0.990 752 S CB 0.476 63.508 63.200 -0.279 0.000 0.950 752 S HN 0.178 nan 8.310 nan 0.000 0.561 753 Y N 0.324 120.643 120.300 0.031 0.000 2.421 753 Y HA 0.025 4.574 4.550 -0.001 0.000 0.292 753 Y C 2.251 178.182 175.900 0.051 0.000 1.136 753 Y CA 0.357 58.562 58.100 0.176 0.000 1.255 753 Y CB -1.231 37.295 38.460 0.110 0.000 0.991 753 Y HN 0.497 nan 8.280 nan 0.000 0.552 754 M N 0.101 119.729 119.600 0.046 0.000 2.346 754 M HA -0.188 4.292 4.480 -0.001 0.000 0.263 754 M C 1.508 177.694 176.300 -0.189 0.000 1.064 754 M CA 1.149 56.371 55.300 -0.129 0.000 1.083 754 M CB -0.635 31.829 32.600 -0.226 0.000 1.399 754 M HN 0.167 nan 8.290 nan 0.000 0.435 755 N N -0.961 117.621 118.700 -0.196 0.000 2.520 755 N HA -0.114 4.626 4.740 -0.001 0.000 0.185 755 N C 0.895 176.182 175.510 -0.371 0.000 1.068 755 N CA 1.093 54.007 53.050 -0.226 0.000 0.911 755 N CB -0.129 38.114 38.487 -0.405 0.000 0.961 755 N HN 0.524 nan 8.380 nan 0.000 0.446 756 Y N 0.600 120.895 120.300 -0.009 0.000 2.466 756 Y HA 0.290 4.839 4.550 -0.001 0.000 0.272 756 Y C 0.941 176.782 175.900 -0.099 0.000 1.169 756 Y CA -0.406 57.669 58.100 -0.041 0.000 1.285 756 Y CB 0.238 38.673 38.460 -0.042 0.000 1.078 756 Y HN -0.115 nan 8.280 nan 0.000 0.523 757 I N 1.487 122.005 120.570 -0.086 0.000 2.533 757 I HA -0.079 4.091 4.170 -0.001 0.000 0.284 757 I C 1.175 177.177 176.117 -0.192 0.000 1.109 757 I CA 0.220 61.362 61.300 -0.263 0.000 1.412 757 I CB 1.148 38.737 38.000 -0.685 0.000 1.396 757 I HN 0.231 nan 8.210 nan 0.000 0.543 758 K N 3.234 123.547 120.400 -0.146 0.000 2.074 758 K HA -0.229 4.090 4.320 -0.001 0.000 0.209 758 K C 0.887 177.458 176.600 -0.048 0.000 1.048 758 K CA 1.666 57.911 56.287 -0.069 0.000 0.926 758 K CB -0.088 32.385 32.500 -0.044 0.000 0.713 758 K HN 0.569 nan 8.250 nan 0.000 0.444 759 D N -0.825 119.544 120.400 -0.051 0.000 2.395 759 D HA -0.012 4.627 4.640 -0.001 0.000 0.226 759 D C 0.860 177.279 176.300 0.198 0.000 1.146 759 D CA 0.189 54.255 54.000 0.111 0.000 0.830 759 D CB 0.251 41.224 40.800 0.288 0.000 0.958 759 D HN 0.226 nan 8.370 nan 0.000 0.501 760 H N -0.669 118.338 119.070 -0.105 0.000 2.338 760 H HA 0.447 5.003 4.556 -0.001 0.000 0.291 760 H C -0.015 175.188 175.328 -0.208 0.000 0.989 760 H CA 0.584 56.568 56.048 -0.106 0.000 1.281 760 H CB 0.623 30.287 29.762 -0.164 0.000 1.484 760 H HN -0.181 nan 8.280 nan 0.000 0.576 761 R N 0.057 120.450 120.500 -0.177 0.000 2.725 761 R HA 0.540 4.879 4.340 -0.001 0.000 0.277 761 R C -1.650 174.629 176.300 -0.036 0.000 0.987 761 R CA -1.022 54.986 56.100 -0.152 0.000 0.901 761 R CB 3.186 33.417 30.300 -0.115 0.000 1.207 761 R HN -0.009 nan 8.270 nan 0.000 0.463 762 V N 1.773 121.710 119.914 0.038 0.000 2.409 762 V HA 0.212 4.331 4.120 -0.001 0.000 0.291 762 V C -0.113 176.079 176.094 0.163 0.000 1.020 762 V CA -0.691 61.658 62.300 0.082 0.000 0.848 762 V CB 1.467 33.337 31.823 0.079 0.000 0.990 762 V HN 0.705 nan 8.190 nan 0.000 0.430 763 E N 3.845 124.121 120.200 0.126 0.000 2.257 763 E HA 0.435 4.784 4.350 -0.001 0.000 0.278 763 E C -1.324 175.403 176.600 0.211 0.000 1.049 763 E CA -0.177 56.320 56.400 0.162 0.000 0.876 763 E CB 1.165 30.931 29.700 0.109 0.000 1.035 763 E HN 0.508 nan 8.360 nan 0.000 0.419 764 V N 5.536 125.652 119.914 0.337 0.000 2.488 764 V HA 0.116 4.235 4.120 -0.001 0.000 0.293 764 V C -0.563 175.730 176.094 0.332 0.000 1.027 764 V CA -0.780 61.693 62.300 0.288 0.000 0.862 764 V CB 1.665 33.622 31.823 0.223 0.000 1.008 764 V HN 0.904 nan 8.190 nan 0.000 0.428 765 D N 4.272 124.798 120.400 0.209 0.000 2.723 765 D HA -0.195 4.444 4.640 -0.001 0.000 0.236 765 D C 1.305 177.727 176.300 0.202 0.000 1.138 765 D CA 1.662 55.773 54.000 0.184 0.000 0.676 765 D CB -0.933 39.977 40.800 0.183 0.000 1.069 765 D HN 1.457 nan 8.370 nan 0.000 0.430 766 G N -0.618 108.290 108.800 0.180 0.000 2.199 766 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.254 766 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.254 766 G C -0.020 174.981 174.900 0.168 0.000 0.982 766 G CA 0.529 45.721 45.100 0.153 0.000 0.632 766 G HN 0.547 nan 8.290 nan 0.000 0.529 767 Y N 1.398 121.744 120.300 0.078 0.000 2.364 767 Y HA 0.619 5.169 4.550 -0.001 0.000 0.340 767 Y C 0.186 176.038 175.900 -0.080 0.000 0.975 767 Y CA -1.041 57.013 58.100 -0.077 0.000 1.089 767 Y CB 1.206 39.518 38.460 -0.247 0.000 1.192 767 Y HN 0.017 nan 8.280 nan 0.000 0.454 768 K N 6.509 126.609 120.400 -0.499 0.000 2.263 768 K HA 0.198 4.517 4.320 -0.001 0.000 0.282 768 K C -1.556 174.925 176.600 -0.198 0.000 1.089 768 K CA -0.286 55.864 56.287 -0.229 0.000 0.907 768 K CB 0.470 32.813 32.500 -0.262 0.000 1.148 768 K HN 0.525 nan 8.250 nan 0.000 0.470 769 Y N 1.304 121.686 120.300 0.137 0.000 2.301 769 Y HA 0.102 4.651 4.550 -0.001 0.000 0.325 769 Y C 0.630 176.629 175.900 0.165 0.000 1.203 769 Y CA -0.709 57.525 58.100 0.224 0.000 1.255 769 Y CB 0.635 39.224 38.460 0.215 0.000 1.232 769 Y HN 0.536 nan 8.280 nan 0.000 0.501 770 W N 4.285 125.663 121.300 0.130 0.000 2.137 770 W HA 0.304 4.963 4.660 -0.001 0.000 0.344 770 W C -0.946 175.598 176.519 0.042 0.000 1.286 770 W CA -0.460 56.893 57.345 0.012 0.000 1.240 770 W CB 0.506 29.964 29.460 -0.003 0.000 1.141 770 W HN 0.417 nan 8.180 nan 0.000 0.579 771 I N 5.844 126.235 120.570 -0.297 0.000 2.428 771 I HA 0.271 4.441 4.170 -0.001 0.000 0.296 771 I C 0.244 176.298 176.117 -0.105 0.000 0.985 771 I CA -0.667 60.527 61.300 -0.176 0.000 1.260 771 I CB 1.653 39.514 38.000 -0.231 0.000 1.389 771 I HN 0.264 nan 8.210 nan 0.000 0.484 772 M N 6.114 125.698 119.600 -0.026 0.000 2.259 772 M HA 0.488 4.967 4.480 -0.001 0.000 0.304 772 M C -1.280 174.998 176.300 -0.038 0.000 1.019 772 M CA -0.482 54.809 55.300 -0.015 0.000 0.922 772 M CB 1.542 34.152 32.600 0.018 0.000 1.600 772 M HN 0.477 nan 8.290 nan 0.000 0.433 773 R N 3.254 123.719 120.500 -0.058 0.000 2.312 773 R HA 0.716 5.055 4.340 -0.001 0.000 0.311 773 R C -1.296 174.982 176.300 -0.037 0.000 1.004 773 R CA -0.701 55.355 56.100 -0.073 0.000 0.902 773 R CB 1.567 31.760 30.300 -0.177 0.000 1.073 773 R HN 0.515 nan 8.270 nan 0.000 0.457 774 V N 2.511 122.413 119.914 -0.019 0.000 2.789 774 V HA 0.202 4.321 4.120 -0.001 0.000 0.311 774 V C -0.165 175.936 176.094 0.010 0.000 1.073 774 V CA -1.180 61.120 62.300 -0.001 0.000 0.921 774 V CB 2.005 33.830 31.823 0.003 0.000 1.009 774 V HN 0.745 nan 8.190 nan 0.000 0.426 775 N N 2.073 120.787 118.700 0.023 0.000 2.492 775 N HA -0.007 4.732 4.740 -0.001 0.000 0.262 775 N C 1.530 177.054 175.510 0.023 0.000 1.202 775 N CA 0.727 53.796 53.050 0.033 0.000 0.926 775 N CB 1.688 40.200 38.487 0.042 0.000 1.078 775 N HN 0.886 nan 8.380 nan 0.000 0.454 776 S N 4.429 120.143 115.700 0.023 0.000 2.400 776 S HA -0.216 4.253 4.470 -0.001 0.000 0.234 776 S C 2.004 176.614 174.600 0.016 0.000 1.049 776 S CA 1.022 59.233 58.200 0.018 0.000 1.039 776 S CB -0.439 62.772 63.200 0.018 0.000 0.856 776 S HN 0.684 nan 8.310 nan 0.000 0.465 777 I N 2.327 122.907 120.570 0.017 0.000 2.226 777 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 777 I C 2.213 178.337 176.117 0.012 0.000 1.100 777 I CA 1.713 63.021 61.300 0.013 0.000 1.374 777 I CB -0.464 37.542 38.000 0.010 0.000 1.057 777 I HN 0.295 nan 8.210 nan 0.000 0.413 778 D N 0.992 121.400 120.400 0.013 0.000 2.183 778 D HA -0.083 4.557 4.640 -0.001 0.000 0.203 778 D C 2.230 178.539 176.300 0.015 0.000 0.969 778 D CA 1.348 55.355 54.000 0.012 0.000 0.842 778 D CB 0.002 40.808 40.800 0.010 0.000 0.957 778 D HN 0.336 nan 8.370 nan 0.000 0.484 779 A N 1.459 124.288 122.820 0.016 0.000 1.873 779 A HA -0.182 4.137 4.320 -0.001 0.000 0.215 779 A C 2.148 179.744 177.584 0.019 0.000 1.186 779 A CA 1.294 53.342 52.037 0.018 0.000 0.616 779 A CB -0.396 18.613 19.000 0.016 0.000 0.823 779 A HN 0.042 nan 8.150 nan 0.000 0.442 780 E N 0.678 120.888 120.200 0.016 0.000 2.085 780 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 780 E C 2.084 178.694 176.600 0.017 0.000 0.994 780 E CA 1.458 57.867 56.400 0.015 0.000 0.801 780 E CB -0.399 29.308 29.700 0.013 0.000 0.743 780 E HN 0.454 nan 8.360 nan 0.000 0.453 781 A N 0.782 123.612 122.820 0.016 0.000 2.125 781 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 781 A C 1.970 179.568 177.584 0.024 0.000 1.156 781 A CA 1.093 53.140 52.037 0.017 0.000 0.671 781 A CB -0.259 18.749 19.000 0.014 0.000 0.794 781 A HN 0.176 nan 8.150 nan 0.000 0.459 782 R N -1.761 118.756 120.500 0.028 0.000 2.472 782 R HA 0.283 4.622 4.340 -0.001 0.000 0.279 782 R C 1.031 177.354 176.300 0.038 0.000 0.953 782 R CA 0.402 56.525 56.100 0.038 0.000 1.088 782 R CB 0.241 30.568 30.300 0.046 0.000 1.197 782 R HN 0.540 nan 8.270 nan 0.000 0.536 783 G N 1.911 110.729 108.800 0.029 0.000 2.203 783 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.263 783 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.263 783 G C 0.134 175.051 174.900 0.028 0.000 1.012 783 G CA 0.131 45.247 45.100 0.027 0.000 0.749 783 G HN 0.277 nan 8.290 nan 0.000 0.512 784 I N 0.127 120.714 120.570 0.029 0.000 2.365 784 I HA 0.393 4.562 4.170 -0.001 0.000 0.291 784 I C 0.631 176.761 176.117 0.021 0.000 1.004 784 I CA -0.264 61.054 61.300 0.029 0.000 1.311 784 I CB 1.222 39.241 38.000 0.032 0.000 1.401 784 I HN -0.009 nan 8.210 nan 0.000 0.491 785 K N 4.403 124.814 120.400 0.019 0.000 2.281 785 K HA 0.302 4.621 4.320 -0.001 0.000 0.242 785 K C -0.243 176.365 176.600 0.013 0.000 0.971 785 K CA -0.988 55.308 56.287 0.015 0.000 0.834 785 K CB 1.387 33.895 32.500 0.013 0.000 1.181 785 K HN 0.509 nan 8.250 nan 0.000 0.435 786 N N 0.719 119.425 118.700 0.010 0.000 2.359 786 N HA -0.108 4.631 4.740 -0.001 0.000 0.261 786 N C 0.563 176.079 175.510 0.010 0.000 1.267 786 N CA 1.662 54.717 53.050 0.008 0.000 0.864 786 N CB 0.364 38.855 38.487 0.007 0.000 1.063 786 N HN 0.842 nan 8.380 nan 0.000 0.474 787 G N 2.637 111.442 108.800 0.009 0.000 2.217 787 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.246 787 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.246 787 G C -0.139 174.764 174.900 0.005 0.000 0.990 787 G CA -0.036 45.072 45.100 0.012 0.000 0.627 787 G HN 0.646 nan 8.290 nan 0.000 0.522 788 D N 0.549 120.952 120.400 0.006 0.000 2.399 788 D HA 0.398 5.037 4.640 -0.001 0.000 0.241 788 D C 1.092 177.386 176.300 -0.009 0.000 1.133 788 D CA 0.021 54.025 54.000 0.007 0.000 0.890 788 D CB 0.754 41.568 40.800 0.022 0.000 1.201 788 D HN 0.273 nan 8.370 nan 0.000 0.432 789 L N 2.938 124.155 121.223 -0.010 0.000 2.319 789 L HA 0.360 4.699 4.340 -0.001 0.000 0.280 789 L C 0.576 177.496 176.870 0.084 0.000 1.099 789 L CA -0.414 54.406 54.840 -0.033 0.000 0.828 789 L CB 0.258 42.314 42.059 -0.004 0.000 1.150 789 L HN 0.250 nan 8.230 nan 0.000 0.442 790 I N 0.978 121.570 120.570 0.037 0.000 3.067 790 I HA 0.637 4.806 4.170 -0.001 0.000 0.312 790 I C -0.598 175.527 176.117 0.014 0.000 1.073 790 I CA -1.078 60.268 61.300 0.076 0.000 1.016 790 I CB 2.224 40.255 38.000 0.051 0.000 1.227 790 I HN 0.580 nan 8.210 nan 0.000 0.456 791 R N 2.854 123.385 120.500 0.052 0.000 2.360 791 R HA 0.757 5.096 4.340 -0.001 0.000 0.318 791 R C -1.375 174.973 176.300 0.081 0.000 0.950 791 R CA -0.512 55.572 56.100 -0.027 0.000 0.837 791 R CB 1.725 32.000 30.300 -0.043 0.000 1.165 791 R HN 0.957 nan 8.270 nan 0.000 0.458 792 A N 4.785 127.615 122.820 0.017 0.000 2.292 792 A HA 0.564 4.884 4.320 -0.001 0.000 0.319 792 A C -1.401 176.194 177.584 0.019 0.000 1.206 792 A CA -0.552 51.482 52.037 -0.005 0.000 0.835 792 A CB 0.431 19.399 19.000 -0.053 0.000 1.164 792 A HN 0.800 nan 8.150 nan 0.000 0.505 793 Y N 0.902 121.107 120.300 -0.160 0.000 2.638 793 Y HA 0.775 5.324 4.550 -0.001 0.000 0.335 793 Y C -0.634 175.031 175.900 -0.392 0.000 1.155 793 Y CA -1.042 56.925 58.100 -0.221 0.000 1.046 793 Y CB 1.198 39.568 38.460 -0.151 0.000 1.303 793 Y HN 0.803 nan 8.280 nan 0.000 0.460 794 N N -1.560 116.893 118.700 -0.412 0.000 3.517 794 N HA 0.207 4.947 4.740 -0.001 0.000 0.329 794 N C -0.690 174.639 175.510 -0.301 0.000 1.569 794 N CA -0.387 51.995 53.050 -1.113 0.000 0.852 794 N CB 0.067 37.888 38.487 -1.111 0.000 1.955 794 N HN 0.543 nan 8.380 nan 0.000 0.555 795 D N -0.502 119.807 120.400 -0.151 0.000 2.310 795 D HA -0.017 4.622 4.640 -0.001 0.000 0.212 795 D C 1.090 177.460 176.300 0.117 0.000 0.965 795 D CA 0.900 54.994 54.000 0.156 0.000 0.879 795 D CB 0.006 40.922 40.800 0.194 0.000 0.921 795 D HN 0.429 nan 8.370 nan 0.000 0.510 796 R N -0.250 120.216 120.500 -0.056 0.000 2.210 796 R HA 0.319 4.658 4.340 -0.001 0.000 0.203 796 R C 1.258 177.324 176.300 -0.390 0.000 1.010 796 R CA 0.574 56.599 56.100 -0.125 0.000 1.008 796 R CB 0.626 30.848 30.300 -0.130 0.000 0.923 796 R HN 0.095 nan 8.270 nan 0.000 0.469 797 G N -1.274 107.123 108.800 -0.671 0.000 2.333 797 G HA2 0.202 4.161 3.960 -0.001 0.000 0.288 797 G HA3 0.202 4.161 3.960 -0.001 0.000 0.288 797 G C -1.423 173.036 174.900 -0.735 0.000 1.286 797 G CA -0.765 43.498 45.100 -1.395 0.000 0.865 797 G HN -0.025 nan 8.290 nan 0.000 0.506 798 S N -1.465 113.935 115.700 -0.501 0.000 2.541 798 S HA 0.792 5.261 4.470 -0.001 0.000 0.280 798 S C -0.840 173.668 174.600 -0.152 0.000 1.112 798 S CA -0.538 57.562 58.200 -0.166 0.000 0.925 798 S CB 2.005 65.168 63.200 -0.062 0.000 1.067 798 S HN 1.105 nan 8.310 nan 0.000 0.479 799 V N 3.249 123.079 119.914 -0.140 0.000 2.686 799 V HA 0.498 4.617 4.120 -0.001 0.000 0.306 799 V C -1.153 174.838 176.094 -0.171 0.000 1.065 799 V CA -0.689 61.530 62.300 -0.135 0.000 0.894 799 V CB 1.713 33.476 31.823 -0.101 0.000 1.004 799 V HN 0.742 nan 8.190 nan 0.000 0.424 800 I N 5.789 126.219 120.570 -0.232 0.000 2.365 800 I HA 0.564 4.733 4.170 -0.001 0.000 0.291 800 I C -0.116 175.973 176.117 -0.047 0.000 1.004 800 I CA 0.289 61.396 61.300 -0.321 0.000 1.311 800 I CB 0.988 38.584 38.000 -0.674 0.000 1.401 800 I HN 0.417 nan 8.210 nan 0.000 0.491 801 L N 4.828 126.029 121.223 -0.036 0.000 2.409 801 L HA 0.854 5.193 4.340 -0.001 0.000 0.255 801 L C -0.377 176.496 176.870 0.005 0.000 1.027 801 L CA -1.047 53.844 54.840 0.086 0.000 0.834 801 L CB 1.813 43.934 42.059 0.103 0.000 1.426 801 L HN 0.570 nan 8.230 nan 0.000 0.411 802 A N 0.916 123.772 122.820 0.059 0.000 2.274 802 A HA 0.819 5.138 4.320 -0.001 0.000 0.309 802 A C -0.084 177.507 177.584 0.011 0.000 1.226 802 A CA -0.322 51.719 52.037 0.007 0.000 0.853 802 A CB 0.887 19.924 19.000 0.062 0.000 1.146 802 A HN 0.730 nan 8.150 nan 0.000 0.518 803 A N 2.150 124.970 122.820 0.001 0.000 2.354 803 A HA 0.563 4.883 4.320 -0.001 0.000 0.269 803 A C 0.108 177.690 177.584 -0.003 0.000 1.109 803 A CA -0.274 51.764 52.037 0.002 0.000 0.800 803 A CB 0.327 19.332 19.000 0.008 0.000 1.045 803 A HN 0.862 nan 8.150 nan 0.000 0.489 804 Q N 2.550 122.343 119.800 -0.012 0.000 2.363 804 Q HA 0.489 4.829 4.340 -0.001 0.000 0.265 804 Q C -1.555 174.437 176.000 -0.013 0.000 1.032 804 Q CA -0.476 55.319 55.803 -0.014 0.000 0.746 804 Q CB 1.367 30.088 28.738 -0.028 0.000 1.237 804 Q HN 0.559 nan 8.270 nan 0.000 0.475 805 V N 3.486 123.397 119.914 -0.004 0.000 2.555 805 V HA 0.362 4.482 4.120 -0.001 0.000 0.286 805 V C 0.363 176.456 176.094 -0.001 0.000 1.044 805 V CA 0.296 62.596 62.300 0.000 0.000 1.026 805 V CB 1.194 33.020 31.823 0.006 0.000 0.981 805 V HN 0.837 nan 8.190 nan 0.000 0.480 806 T N 2.757 117.312 114.554 0.003 0.000 2.787 806 T HA 0.396 4.745 4.350 -0.001 0.000 0.297 806 T C 0.046 174.761 174.700 0.024 0.000 1.221 806 T CA -0.505 61.597 62.100 0.003 0.000 1.006 806 T CB 2.119 70.981 68.868 -0.010 0.000 1.328 806 T HN 0.620 nan 8.240 nan 0.000 0.509 807 E N 0.601 120.817 120.200 0.026 0.000 2.498 807 E HA 0.194 4.543 4.350 -0.001 0.000 0.203 807 E C 1.073 177.747 176.600 0.122 0.000 1.013 807 E CA 0.137 56.579 56.400 0.069 0.000 0.927 807 E CB -0.010 29.724 29.700 0.057 0.000 1.012 807 E HN 0.592 nan 8.360 nan 0.000 0.482 808 C N 1.397 120.720 119.300 0.037 0.000 2.460 808 C HA 0.267 4.727 4.460 -0.001 0.000 0.322 808 C C 0.734 175.880 174.990 0.260 0.000 1.333 808 C CA 0.034 59.020 59.018 -0.052 0.000 1.631 808 C CB -1.771 25.839 27.740 -0.216 0.000 1.672 808 C HN 0.132 nan 8.230 nan 0.000 0.596 809 L N -0.031 121.404 121.223 0.353 0.000 2.472 809 L HA 0.331 4.671 4.340 -0.001 0.000 0.260 809 L C -0.274 176.726 176.870 0.217 0.000 0.963 809 L CA -0.372 54.661 54.840 0.322 0.000 0.829 809 L CB 1.484 43.642 42.059 0.165 0.000 1.348 809 L HN 0.086 nan 8.230 nan 0.000 0.408 810 Q N 3.189 123.066 119.800 0.128 0.000 2.364 810 Q HA 0.248 4.587 4.340 -0.001 0.000 0.267 810 Q C -2.299 173.717 176.000 0.028 0.000 0.999 810 Q CA -1.342 54.474 55.803 0.021 0.000 0.886 810 Q CB 1.115 29.821 28.738 -0.053 0.000 1.243 810 Q HN 0.225 nan 8.270 nan 0.000 0.415 811 P HA -0.024 nan 4.420 nan 0.000 0.264 811 P C 0.062 177.360 177.300 -0.003 0.000 1.183 811 P CA 1.448 64.553 63.100 0.008 0.000 0.763 811 P CB 0.484 32.184 31.700 -0.001 0.000 0.807 812 G N 1.396 110.197 108.800 0.001 0.000 2.195 812 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.224 812 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.224 812 G C 0.129 175.027 174.900 -0.003 0.000 0.990 812 G CA -0.105 44.990 45.100 -0.008 0.000 0.639 812 G HN 0.600 nan 8.290 nan 0.000 0.514 813 T N 1.081 115.642 114.554 0.012 0.000 2.823 813 T HA 0.671 5.021 4.350 -0.001 0.000 0.279 813 T C 0.129 174.845 174.700 0.027 0.000 0.998 813 T CA 0.139 62.253 62.100 0.022 0.000 0.994 813 T CB 2.425 71.322 68.868 0.049 0.000 0.960 813 T HN 1.340 nan 8.240 nan 0.000 0.448 814 V N 0.562 120.484 119.914 0.013 0.000 2.864 814 V HA 0.723 4.843 4.120 -0.001 0.000 0.314 814 V C -0.851 175.249 176.094 0.011 0.000 1.073 814 V CA -0.886 61.417 62.300 0.005 0.000 0.956 814 V CB 2.102 33.914 31.823 -0.018 0.000 1.023 814 V HN 0.959 nan 8.190 nan 0.000 0.435 815 H N 1.858 120.836 119.070 -0.153 0.000 2.771 815 H HA 0.749 5.304 4.556 -0.001 0.000 0.361 815 H C -1.562 173.608 175.328 -0.263 0.000 1.108 815 H CA 0.013 55.913 56.048 -0.246 0.000 1.201 815 H CB 2.203 31.696 29.762 -0.448 0.000 1.681 815 H HN 0.969 nan 8.280 nan 0.000 0.534 816 S N 5.140 120.533 115.700 -0.511 0.000 2.652 816 S HA 0.276 4.745 4.470 -0.001 0.000 0.273 816 S C -1.337 173.166 174.600 -0.163 0.000 1.172 816 S CA -0.535 57.532 58.200 -0.220 0.000 1.009 816 S CB 0.199 63.423 63.200 0.041 0.000 1.094 816 S HN 0.528 nan 8.310 nan 0.000 0.471 817 Y N 2.778 123.129 120.300 0.084 0.000 2.652 817 Y HA 0.119 4.668 4.550 -0.001 0.000 0.344 817 Y C 1.375 177.515 175.900 0.400 0.000 1.254 817 Y CA 0.321 58.553 58.100 0.221 0.000 1.480 817 Y CB 0.526 39.157 38.460 0.285 0.000 1.345 817 Y HN 0.782 nan 8.280 nan 0.000 0.617 818 E N -1.048 119.393 120.200 0.400 0.000 3.099 818 E HA 0.465 4.815 4.350 -0.001 0.000 0.259 818 E C -0.114 176.567 176.600 0.135 0.000 1.274 818 E CA -0.288 56.205 56.400 0.155 0.000 1.111 818 E CB 0.692 30.422 29.700 0.050 0.000 1.327 818 E HN 0.497 nan 8.360 nan 0.000 0.652 819 S N -2.248 113.424 115.700 -0.046 0.000 3.482 819 S HA -0.235 4.235 4.470 -0.001 0.000 0.294 819 S C 0.212 174.710 174.600 -0.171 0.000 1.244 819 S CA 0.506 58.673 58.200 -0.056 0.000 0.911 819 S CB -2.643 60.630 63.200 0.123 0.000 1.070 819 S HN 0.784 nan 8.310 nan 0.000 0.614 820 C N 1.975 120.979 119.300 -0.494 0.000 2.596 820 C HA 0.484 4.943 4.460 -0.001 0.000 0.414 820 C C 1.845 176.634 174.990 -0.335 0.000 1.396 820 C CA 0.413 58.979 59.018 -0.753 0.000 1.698 820 C CB -0.229 26.834 27.740 -1.129 0.000 2.572 820 C HN 0.807 nan 8.230 nan 0.000 0.604 821 A N 4.738 127.433 122.820 -0.209 0.000 2.238 821 A HA 0.328 4.648 4.320 -0.001 0.000 0.210 821 A C 0.578 178.088 177.584 -0.124 0.000 1.179 821 A CA 0.390 52.340 52.037 -0.145 0.000 0.827 821 A CB -0.056 18.865 19.000 -0.132 0.000 0.856 821 A HN 0.818 nan 8.150 nan 0.000 0.488 822 V N 0.335 120.172 119.914 -0.128 0.000 2.370 822 V HA 0.293 4.412 4.120 -0.001 0.000 0.279 822 V C -0.823 175.267 176.094 -0.007 0.000 1.029 822 V CA -0.554 61.703 62.300 -0.070 0.000 0.870 822 V CB 0.858 32.643 31.823 -0.063 0.000 0.984 822 V HN 0.370 nan 8.190 nan 0.000 0.451 823 Y N 4.164 124.395 120.300 -0.115 0.000 2.356 823 Y HA 0.627 5.176 4.550 -0.001 0.000 0.334 823 Y C -0.500 175.365 175.900 -0.058 0.000 0.958 823 Y CA -1.471 56.578 58.100 -0.085 0.000 1.196 823 Y CB 1.397 39.826 38.460 -0.052 0.000 1.137 823 Y HN 0.710 nan 8.280 nan 0.000 0.485 824 D N 8.875 129.009 120.400 -0.442 0.000 2.405 824 D HA 0.357 4.996 4.640 -0.001 0.000 0.264 824 D C -3.102 172.940 176.300 -0.430 0.000 1.240 824 D CA -2.238 51.534 54.000 -0.379 0.000 0.893 824 D CB 1.289 42.020 40.800 -0.114 0.000 1.198 824 D HN 0.217 nan 8.370 nan 0.000 0.514 825 P HA 0.120 nan 4.420 nan 0.000 0.268 825 P C 0.978 178.184 177.300 -0.156 0.000 1.205 825 P CA -0.210 62.683 63.100 -0.345 0.000 0.771 825 P CB 1.017 32.533 31.700 -0.308 0.000 0.858 826 L N 0.858 122.046 121.223 -0.058 0.000 2.418 826 L HA 0.172 4.511 4.340 -0.001 0.000 0.218 826 L C 1.479 178.370 176.870 0.036 0.000 1.125 826 L CA 0.892 55.738 54.840 0.010 0.000 0.835 826 L CB -0.423 41.691 42.059 0.092 0.000 0.953 826 L HN 0.553 nan 8.230 nan 0.000 0.454 827 G N -1.244 107.580 108.800 0.040 0.000 3.253 827 G HA2 0.237 4.196 3.960 -0.001 0.000 0.175 827 G HA3 0.237 4.196 3.960 -0.001 0.000 0.175 827 G C -0.717 174.214 174.900 0.053 0.000 1.098 827 G CA -0.208 44.923 45.100 0.052 0.000 0.790 827 G HN -0.140 nan 8.290 nan 0.000 0.648 828 T N 1.712 116.314 114.554 0.079 0.000 2.928 828 T HA 0.460 4.809 4.350 -0.001 0.000 0.305 828 T C 0.753 175.544 174.700 0.152 0.000 1.035 828 T CA 0.459 62.619 62.100 0.099 0.000 1.145 828 T CB 0.890 69.820 68.868 0.103 0.000 0.963 828 T HN 0.878 nan 8.240 nan 0.000 0.545 829 A N 2.593 125.525 122.820 0.186 0.000 2.546 829 A HA 0.477 4.796 4.320 -0.001 0.000 0.243 829 A C 1.689 179.490 177.584 0.362 0.000 1.063 829 A CA 0.195 52.439 52.037 0.346 0.000 0.757 829 A CB -0.884 18.391 19.000 0.458 0.000 0.991 829 A HN 1.649 nan 8.150 nan 0.000 0.503 830 G N 1.872 110.919 108.800 0.412 0.000 2.184 830 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.264 830 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.264 830 G C 0.653 175.689 174.900 0.227 0.000 0.975 830 G CA 1.030 46.286 45.100 0.259 0.000 0.642 830 G HN 0.847 nan 8.290 nan 0.000 0.536 831 K N -0.214 120.335 120.400 0.249 0.000 2.477 831 K HA 0.347 4.666 4.320 -0.001 0.000 0.208 831 K C 0.669 177.462 176.600 0.323 0.000 1.117 831 K CA 0.655 57.098 56.287 0.261 0.000 1.039 831 K CB 1.048 33.652 32.500 0.172 0.000 0.937 831 K HN 0.554 nan 8.250 nan 0.000 0.570 832 S N -0.470 115.419 115.700 0.316 0.000 2.697 832 S HA 0.724 5.193 4.470 -0.001 0.000 0.289 832 S C -0.448 174.318 174.600 0.277 0.000 1.149 832 S CA -1.093 57.297 58.200 0.316 0.000 0.850 832 S CB 1.596 64.907 63.200 0.185 0.000 1.151 832 S HN 0.074 nan 8.310 nan 0.000 0.491 833 A N 0.483 123.461 122.820 0.263 0.000 2.462 833 A HA 0.486 4.805 4.320 -0.001 0.000 0.243 833 A C -0.121 177.468 177.584 0.007 0.000 1.076 833 A CA 0.080 52.189 52.037 0.120 0.000 0.773 833 A CB -0.544 18.528 19.000 0.120 0.000 1.010 833 A HN 0.866 nan 8.150 nan 0.000 0.493 834 D N -0.216 120.154 120.400 -0.049 0.000 2.185 834 D HA 0.461 5.101 4.640 -0.001 0.000 0.247 834 D C 0.870 177.088 176.300 -0.136 0.000 1.027 834 D CA -0.622 53.323 54.000 -0.091 0.000 0.861 834 D CB 0.964 41.770 40.800 0.012 0.000 1.202 834 D HN 0.511 nan 8.370 nan 0.000 0.453 835 R N 1.999 122.404 120.500 -0.159 0.000 2.437 835 R HA 0.316 4.655 4.340 -0.001 0.000 0.257 835 R C 1.357 177.650 176.300 -0.012 0.000 0.927 835 R CA -0.175 55.846 56.100 -0.132 0.000 1.078 835 R CB 0.296 30.433 30.300 -0.271 0.000 1.161 835 R HN 0.392 nan 8.270 nan 0.000 0.529 836 G N 1.025 109.808 108.800 -0.029 0.000 2.408 836 G HA2 0.099 4.058 3.960 -0.001 0.000 0.217 836 G HA3 0.099 4.058 3.960 -0.001 0.000 0.217 836 G C 1.072 175.947 174.900 -0.042 0.000 1.150 836 G CA 0.779 45.887 45.100 0.013 0.000 0.776 836 G HN 0.603 nan 8.290 nan 0.000 0.542 837 G N -2.202 106.529 108.800 -0.114 0.000 2.147 837 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.128 837 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.128 837 G C 0.167 174.732 174.900 -0.559 0.000 1.026 837 G CA -0.157 44.772 45.100 -0.284 0.000 0.693 837 G HN 0.517 nan 8.290 nan 0.000 0.499 838 C N 2.532 121.646 119.300 -0.310 0.000 2.645 838 C HA 0.254 4.713 4.460 -0.001 0.000 0.451 838 C C 2.289 177.145 174.990 -0.223 0.000 1.018 838 C CA -0.510 58.338 59.018 -0.283 0.000 1.180 838 C CB -1.834 25.827 27.740 -0.132 0.000 1.563 838 C HN 0.463 nan 8.230 nan 0.000 0.551 839 I N 2.466 122.886 120.570 -0.250 0.000 2.423 839 I HA -0.143 4.026 4.170 -0.001 0.000 0.254 839 I C 2.053 178.090 176.117 -0.132 0.000 1.151 839 I CA 1.434 62.649 61.300 -0.142 0.000 1.421 839 I CB -0.658 37.303 38.000 -0.065 0.000 1.079 839 I HN 0.607 nan 8.210 nan 0.000 0.431 840 N N 0.850 119.459 118.700 -0.151 0.000 2.609 840 N HA -0.032 4.708 4.740 -0.001 0.000 0.190 840 N C 1.752 177.181 175.510 -0.135 0.000 1.157 840 N CA 0.461 53.429 53.050 -0.137 0.000 0.918 840 N CB -0.028 38.363 38.487 -0.160 0.000 0.978 840 N HN 0.429 nan 8.380 nan 0.000 0.448 841 I N 0.031 120.516 120.570 -0.142 0.000 2.546 841 I HA -0.156 4.013 4.170 -0.001 0.000 0.255 841 I C 1.424 177.449 176.117 -0.154 0.000 1.163 841 I CA 0.790 62.004 61.300 -0.143 0.000 1.457 841 I CB 0.159 38.072 38.000 -0.144 0.000 1.092 841 I HN 0.076 nan 8.210 nan 0.000 0.434 842 L N -0.146 120.988 121.223 -0.148 0.000 2.585 842 L HA 0.082 4.421 4.340 -0.001 0.000 0.226 842 L C 1.054 177.856 176.870 -0.113 0.000 1.113 842 L CA -0.077 54.671 54.840 -0.154 0.000 0.876 842 L CB -0.552 41.409 42.059 -0.163 0.000 1.072 842 L HN 0.243 nan 8.230 nan 0.000 0.468 843 T N -1.472 113.030 114.554 -0.085 0.000 2.910 843 T HA 0.296 4.646 4.350 -0.001 0.000 0.293 843 T C -2.463 172.232 174.700 -0.008 0.000 1.015 843 T CA -1.911 60.162 62.100 -0.046 0.000 1.094 843 T CB 0.961 69.802 68.868 -0.044 0.000 0.968 843 T HN -0.130 nan 8.240 nan 0.000 0.521 844 P HA 0.176 nan 4.420 nan 0.000 0.271 844 P C -0.116 177.246 177.300 0.103 0.000 1.220 844 P CA -0.179 62.999 63.100 0.131 0.000 0.768 844 P CB 0.734 32.646 31.700 0.354 0.000 0.848 845 D N 2.312 122.720 120.400 0.014 0.000 2.350 845 D HA -0.023 4.617 4.640 -0.001 0.000 0.213 845 D C 0.828 177.053 176.300 -0.126 0.000 1.031 845 D CA 0.049 54.012 54.000 -0.061 0.000 0.861 845 D CB -0.269 40.457 40.800 -0.123 0.000 0.926 845 D HN 0.321 nan 8.370 nan 0.000 0.520 846 R N 0.412 120.852 120.500 -0.101 0.000 2.570 846 R HA 0.025 4.364 4.340 -0.001 0.000 0.277 846 R C -0.425 175.860 176.300 -0.025 0.000 1.039 846 R CA -0.310 55.637 56.100 -0.255 0.000 1.065 846 R CB 0.184 30.087 30.300 -0.663 0.000 0.964 846 R HN 0.045 nan 8.270 nan 0.000 0.428 847 Y N 3.581 123.833 120.300 -0.079 0.000 2.457 847 Y HA -0.099 4.450 4.550 -0.001 0.000 0.341 847 Y C 1.968 177.947 175.900 0.132 0.000 1.240 847 Y CA -0.578 57.517 58.100 -0.007 0.000 1.437 847 Y CB 0.610 39.023 38.460 -0.078 0.000 1.328 847 Y HN 0.576 nan 8.280 nan 0.000 0.588 848 I N 0.807 121.579 120.570 0.338 0.000 2.145 848 I HA -0.298 3.871 4.170 -0.001 0.000 0.244 848 I C 1.065 177.416 176.117 0.389 0.000 1.075 848 I CA 1.734 63.259 61.300 0.374 0.000 1.332 848 I CB -0.404 37.684 38.000 0.146 0.000 1.033 848 I HN 0.557 nan 8.210 nan 0.000 0.410 849 S N -1.294 114.500 115.700 0.157 0.000 2.720 849 S HA 0.284 4.753 4.470 -0.001 0.000 0.287 849 S C 0.502 175.103 174.600 0.000 0.000 1.168 849 S CA -0.865 57.413 58.200 0.130 0.000 0.832 849 S CB 2.048 65.366 63.200 0.196 0.000 1.166 849 S HN 0.085 nan 8.310 nan 0.000 0.493 850 K N -0.539 119.832 120.400 -0.049 0.000 2.063 850 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 850 K C 0.767 177.113 176.600 -0.423 0.000 1.048 850 K CA 1.932 58.056 56.287 -0.272 0.000 0.928 850 K CB -0.341 31.904 32.500 -0.424 0.000 0.713 850 K HN 0.719 nan 8.250 nan 0.000 0.442 851 Y N -1.117 119.246 120.300 0.104 0.000 2.430 851 Y HA 0.364 4.913 4.550 -0.001 0.000 0.248 851 Y C 0.308 176.129 175.900 -0.132 0.000 1.108 851 Y CA -0.247 57.910 58.100 0.095 0.000 1.264 851 Y CB 0.685 39.359 38.460 0.357 0.000 1.172 851 Y HN -0.023 nan 8.280 nan 0.000 0.520 852 A N -0.004 122.731 122.820 -0.142 0.000 2.666 852 A HA 0.315 4.634 4.320 -0.001 0.000 0.312 852 A C -0.077 176.779 177.584 -1.214 0.000 1.471 852 A CA -0.383 51.304 52.037 -0.583 0.000 1.134 852 A CB -1.150 17.768 19.000 -0.136 0.000 1.129 852 A HN 0.469 nan 8.150 nan 0.000 0.539 853 C N 3.069 121.228 119.300 -1.902 0.000 3.305 853 C HA 0.468 4.927 4.460 -0.001 0.000 0.566 853 C C 1.430 175.763 174.990 -1.096 0.000 1.178 853 C CA -0.158 57.747 59.018 -1.854 0.000 1.317 853 C CB -1.932 25.004 27.740 -1.339 0.000 1.634 853 C HN 0.861 nan 8.230 nan 0.000 0.643 854 G N 0.880 109.224 108.800 -0.759 0.000 2.644 854 G HA2 0.689 4.648 3.960 -0.001 0.000 0.307 854 G HA3 0.689 4.648 3.960 -0.001 0.000 0.307 854 G C -0.423 174.577 174.900 0.166 0.000 1.250 854 G CA -0.827 44.247 45.100 -0.044 0.000 0.996 854 G HN 0.520 nan 8.290 nan 0.000 0.489 855 M N 0.146 119.865 119.600 0.199 0.000 2.235 855 M HA 0.655 5.135 4.480 -0.001 0.000 0.351 855 M C 0.153 176.539 176.300 0.143 0.000 1.178 855 M CA -0.470 54.930 55.300 0.166 0.000 1.143 855 M CB 1.847 34.508 32.600 0.102 0.000 1.530 855 M HN 0.436 nan 8.290 nan 0.000 0.461 856 A N 2.890 125.797 122.820 0.146 0.000 2.701 856 A HA 0.279 4.598 4.320 -0.001 0.000 0.297 856 A C 0.497 178.083 177.584 0.003 0.000 1.197 856 A CA -0.650 51.426 52.037 0.064 0.000 0.963 856 A CB -0.730 18.311 19.000 0.069 0.000 1.175 856 A HN 1.010 nan 8.150 nan 0.000 0.531 857 N N 1.499 120.213 118.700 0.025 0.000 2.060 857 N HA -0.190 4.549 4.740 -0.001 0.000 0.195 857 N C 0.984 176.480 175.510 -0.023 0.000 1.028 857 N CA 1.719 54.769 53.050 -0.000 0.000 0.861 857 N CB -0.275 38.211 38.487 -0.002 0.000 1.029 857 N HN 0.458 nan 8.380 nan 0.000 0.428 858 N N 0.115 118.807 118.700 -0.013 0.000 2.627 858 N HA -0.042 4.697 4.740 -0.001 0.000 0.196 858 N C -0.366 175.121 175.510 -0.037 0.000 1.268 858 N CA 0.673 53.714 53.050 -0.015 0.000 0.904 858 N CB -0.287 38.207 38.487 0.012 0.000 1.016 858 N HN 0.417 nan 8.380 nan 0.000 0.448 859 T N -2.035 112.469 114.554 -0.082 0.000 2.963 859 T HA 0.745 5.095 4.350 -0.001 0.000 0.328 859 T C -0.587 174.048 174.700 -0.108 0.000 1.048 859 T CA -0.931 61.093 62.100 -0.126 0.000 1.033 859 T CB 1.562 70.292 68.868 -0.230 0.000 1.010 859 T HN 0.072 nan 8.240 nan 0.000 0.469 860 A N 4.120 126.898 122.820 -0.069 0.000 2.398 860 A HA 0.773 5.092 4.320 -0.001 0.000 0.301 860 A C -0.746 176.813 177.584 -0.041 0.000 1.041 860 A CA -0.935 51.075 52.037 -0.046 0.000 0.711 860 A CB 1.290 20.256 19.000 -0.058 0.000 1.240 860 A HN 0.868 nan 8.150 nan 0.000 0.420 861 L N 2.828 124.043 121.223 -0.013 0.000 2.289 861 L HA 0.719 5.058 4.340 -0.001 0.000 0.285 861 L C 0.081 176.917 176.870 -0.057 0.000 1.049 861 L CA -0.681 54.165 54.840 0.011 0.000 0.804 861 L CB 1.462 43.581 42.059 0.100 0.000 1.195 861 L HN 0.725 nan 8.230 nan 0.000 0.428 862 V N -0.007 119.865 119.914 -0.069 0.000 3.182 862 V HA 0.782 4.901 4.120 -0.001 0.000 0.308 862 V C -1.315 174.695 176.094 -0.140 0.000 1.240 862 V CA -0.702 61.471 62.300 -0.210 0.000 1.063 862 V CB 2.280 33.970 31.823 -0.222 0.000 1.076 862 V HN 0.707 nan 8.190 nan 0.000 0.446 863 E N 0.712 120.704 120.200 -0.348 0.000 2.343 863 E HA 0.800 5.150 4.350 -0.001 0.000 0.270 863 E C -1.064 175.325 176.600 -0.351 0.000 0.895 863 E CA -0.489 55.724 56.400 -0.311 0.000 0.767 863 E CB 1.925 31.403 29.700 -0.371 0.000 1.248 863 E HN 1.125 nan 8.360 nan 0.000 0.440 864 I N -0.536 119.980 120.570 -0.089 0.000 2.934 864 I HA 0.818 4.987 4.170 -0.001 0.000 0.306 864 I C -1.031 175.166 176.117 0.133 0.000 1.110 864 I CA -0.892 60.430 61.300 0.037 0.000 1.019 864 I CB 2.321 40.329 38.000 0.014 0.000 1.227 864 I HN 0.668 nan 8.210 nan 0.000 0.434 865 E N 2.176 122.479 120.200 0.171 0.000 2.416 865 E HA 0.406 4.755 4.350 -0.001 0.000 0.280 865 E C -1.748 174.942 176.600 0.151 0.000 1.055 865 E CA -1.274 55.224 56.400 0.163 0.000 0.825 865 E CB 1.463 31.289 29.700 0.211 0.000 1.312 865 E HN 0.538 nan 8.360 nan 0.000 0.452 866 K N 0.802 121.282 120.400 0.133 0.000 2.401 866 K HA 0.047 4.366 4.320 -0.001 0.000 0.278 866 K C -0.746 175.987 176.600 0.223 0.000 1.018 866 K CA -0.305 56.067 56.287 0.142 0.000 0.981 866 K CB 0.457 33.013 32.500 0.094 0.000 0.933 866 K HN 0.446 nan 8.250 nan 0.000 0.477 867 W N 5.063 126.377 121.300 0.024 0.000 2.303 867 W HA -0.005 4.654 4.660 -0.001 0.000 0.318 867 W C 0.436 176.990 176.519 0.058 0.000 1.362 867 W CA -0.641 56.732 57.345 0.047 0.000 1.234 867 W CB 0.295 29.769 29.460 0.023 0.000 1.248 867 W HN 0.663 nan 8.180 nan 0.000 0.546 868 D N 2.765 123.160 120.400 -0.008 0.000 2.340 868 D HA 0.128 4.767 4.640 -0.001 0.000 0.220 868 D C 1.639 177.600 176.300 -0.565 0.000 1.039 868 D CA 0.580 54.457 54.000 -0.204 0.000 0.866 868 D CB -0.177 40.612 40.800 -0.018 0.000 0.913 868 D HN 0.722 nan 8.370 nan 0.000 0.523 869 G N 0.104 108.031 108.800 -1.455 0.000 2.194 869 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.236 869 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.236 869 G C -0.004 174.633 174.900 -0.438 0.000 0.987 869 G CA 0.097 44.305 45.100 -1.488 0.000 0.635 869 G HN 0.587 nan 8.290 nan 0.000 0.520 870 D N 0.762 121.133 120.400 -0.047 0.000 2.368 870 D HA 0.399 5.038 4.640 -0.001 0.000 0.240 870 D C 1.793 178.319 176.300 0.377 0.000 1.169 870 D CA 0.313 54.318 54.000 0.008 0.000 0.906 870 D CB 0.587 41.107 40.800 -0.467 0.000 1.187 870 D HN 0.475 nan 8.370 nan 0.000 0.435 871 K N 1.274 121.769 120.400 0.160 0.000 2.379 871 K HA -0.010 4.309 4.320 -0.001 0.000 0.194 871 K C -0.080 176.698 176.600 0.297 0.000 1.031 871 K CA -0.206 56.237 56.287 0.260 0.000 1.037 871 K CB -0.171 32.414 32.500 0.141 0.000 0.824 871 K HN 0.438 nan 8.250 nan 0.000 0.516 872 Y N 2.043 122.417 120.300 0.124 0.000 2.988 872 Y HA -0.219 4.330 4.550 -0.001 0.000 0.193 872 Y C -0.381 175.538 175.900 0.032 0.000 1.388 872 Y CA 0.611 58.752 58.100 0.067 0.000 0.904 872 Y CB -1.896 36.645 38.460 0.136 0.000 1.297 872 Y HN 0.414 nan 8.280 nan 0.000 0.432 873 E N 2.618 122.845 120.200 0.046 0.000 1.892 873 E HA 0.368 4.717 4.350 -0.001 0.000 0.271 873 E C 0.865 177.419 176.600 -0.077 0.000 1.146 873 E CA 0.128 56.548 56.400 0.034 0.000 1.096 873 E CB -0.247 29.471 29.700 0.030 0.000 1.155 873 E HN 0.629 nan 8.360 nan 0.000 0.458 874 I N -0.731 119.683 120.570 -0.259 0.000 4.390 874 I HA 0.267 4.437 4.170 -0.001 0.000 0.334 874 I C -0.675 175.145 176.117 -0.495 0.000 1.379 874 I CA -0.666 60.401 61.300 -0.388 0.000 1.197 874 I CB 0.100 37.829 38.000 -0.451 0.000 1.396 874 I HN 0.086 nan 8.210 nan 0.000 0.511 875 Y N 0.000 120.349 120.300 0.081 0.000 2.660 875 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 875 Y CA 0.000 58.141 58.100 0.068 0.000 1.940 875 Y CB 0.000 38.501 38.460 0.069 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758