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 2whi_1_D DATA FIRST_RESID 3 DATA SEQUENCE EKTPDDVFKL AKDEKVEYVD VRFCDLPGIM QHFTIPASAF DKSVFDDGLA DATA SEQUENCE FDGSSIRGFQ SIHESDMLLL PDPETARIDP FRAAKTLNIN FFVHDPFTLE DATA SEQUENCE PYSRDPRNIA RKAENYLIST GIADTAYFGA EAEFYIFDSV SFDSRANGSF DATA SEQUENCE YEVDAISGWW NTGAATEADG SPNRGYKVRH KGGYFPVAPN DQYVDLRDKM DATA SEQUENCE LTNLINSGFI LEKGHHEVGS GGQAEINYQF NSLLHAADDM QLYKYIIKNT DATA SEQUENCE AWQNGKTVTF MPKPLFGDNG SGMHCHQSLW KDGAPLMYDE TGYAGLSDTA DATA SEQUENCE RHYIGGLLHH APSLLAFTNP TVNSYKRLVP GYEAPINLVY SQRNRSACVR DATA SEQUENCE IPITGSNPKA KRLEFRSPDS SGNPYLAFSA MLMAGLDGIK NKIEPQAPVD DATA SEQUENCE KDLYELPPEE AASIPQTPTQ LSDVIDRLEA DHEYLTEGGV FTNDLIETWI DATA SEQUENCE SFKRENEIEP VNIRPHPYEF ALYYDV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.606 176.600 0.010 0.000 1.382 3 E CA 0.000 56.417 56.400 0.029 0.000 0.976 3 E CB 0.000 29.714 29.700 0.023 0.000 0.812 4 K N 2.165 122.567 120.400 0.002 0.000 2.414 4 K HA 0.148 4.468 4.320 -0.000 0.000 0.272 4 K C 0.499 177.093 176.600 -0.009 0.000 0.993 4 K CA 0.760 57.041 56.287 -0.010 0.000 0.964 4 K CB 0.624 33.114 32.500 -0.016 0.000 0.925 4 K HN 0.137 nan 8.250 nan 0.000 0.487 5 T N -0.552 113.980 114.554 -0.037 0.000 2.950 5 T HA 0.280 4.630 4.350 -0.000 0.000 0.288 5 T C -2.066 172.532 174.700 -0.170 0.000 1.035 5 T CA -2.177 59.878 62.100 -0.075 0.000 1.028 5 T CB 1.663 70.489 68.868 -0.072 0.000 1.109 5 T HN 0.183 nan 8.240 nan 0.000 0.514 6 P HA -0.111 nan 4.420 nan 0.000 0.216 6 P C 0.868 177.794 177.300 -0.623 0.000 1.154 6 P CA 1.208 63.773 63.100 -0.892 0.000 0.865 6 P CB -0.021 30.962 31.700 -1.195 0.000 0.789 7 D N -1.305 118.959 120.400 -0.227 0.000 2.178 7 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 7 D C 1.554 177.859 176.300 0.009 0.000 0.974 7 D CA 0.891 54.902 54.000 0.018 0.000 0.841 7 D CB -0.724 40.089 40.800 0.022 0.000 0.953 7 D HN 0.146 nan 8.370 nan 0.000 0.478 8 D N -0.199 120.172 120.400 -0.049 0.000 2.117 8 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 8 D C 2.200 178.498 176.300 -0.004 0.000 0.987 8 D CA 0.553 54.541 54.000 -0.019 0.000 0.829 8 D CB -0.101 40.681 40.800 -0.029 0.000 0.961 8 D HN 0.110 nan 8.370 nan 0.000 0.460 9 V N 0.717 120.597 119.914 -0.056 0.000 2.379 9 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 9 V C 2.181 178.337 176.094 0.104 0.000 1.044 9 V CA 1.071 63.373 62.300 0.002 0.000 1.036 9 V CB -0.587 31.258 31.823 0.036 0.000 0.664 9 V HN 0.018 nan 8.190 nan 0.000 0.453 10 F N 0.880 120.910 119.950 0.134 0.000 2.126 10 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 10 F C 2.399 178.247 175.800 0.080 0.000 1.096 10 F CA 1.815 59.880 58.000 0.108 0.000 1.255 10 F CB -0.665 38.309 39.000 -0.044 0.000 0.997 10 F HN 0.088 nan 8.300 nan 0.000 0.479 11 K N 0.287 120.818 120.400 0.218 0.000 2.057 11 K HA -0.181 4.138 4.320 -0.000 0.000 0.206 11 K C 2.170 178.831 176.600 0.102 0.000 1.050 11 K CA 1.068 57.430 56.287 0.125 0.000 0.935 11 K CB -0.459 32.086 32.500 0.075 0.000 0.715 11 K HN 0.197 nan 8.250 nan 0.000 0.439 12 L N 1.204 122.482 121.223 0.092 0.000 2.042 12 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 12 L C 2.205 179.125 176.870 0.083 0.000 1.076 12 L CA 2.170 57.050 54.840 0.067 0.000 0.749 12 L CB -0.754 41.332 42.059 0.045 0.000 0.893 12 L HN 0.233 nan 8.230 nan 0.000 0.432 13 A N -0.783 122.122 122.820 0.141 0.000 1.902 13 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 13 A C 2.476 180.134 177.584 0.123 0.000 1.181 13 A CA 2.001 54.129 52.037 0.153 0.000 0.623 13 A CB -0.602 18.576 19.000 0.297 0.000 0.818 13 A HN 0.505 nan 8.150 nan 0.000 0.443 14 K N -0.597 119.882 120.400 0.133 0.000 2.025 14 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 14 K C 1.402 178.035 176.600 0.054 0.000 1.049 14 K CA 1.596 57.935 56.287 0.086 0.000 0.933 14 K CB -0.195 32.353 32.500 0.080 0.000 0.714 14 K HN 0.368 nan 8.250 nan 0.000 0.438 15 D N 0.869 121.300 120.400 0.051 0.000 2.144 15 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 15 D C 1.553 177.868 176.300 0.025 0.000 0.984 15 D CA 1.026 55.045 54.000 0.032 0.000 0.834 15 D CB -0.022 40.795 40.800 0.029 0.000 0.955 15 D HN 0.237 nan 8.370 nan 0.000 0.465 16 E N 0.517 120.734 120.200 0.028 0.000 2.502 16 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 16 E C 0.058 176.667 176.600 0.015 0.000 1.062 16 E CA 0.063 56.474 56.400 0.018 0.000 0.867 16 E CB 0.130 29.839 29.700 0.015 0.000 0.888 16 E HN 0.363 nan 8.360 nan 0.000 0.510 17 K N 0.300 120.713 120.400 0.020 0.000 3.257 17 K HA -0.149 4.171 4.320 -0.000 0.000 0.270 17 K C -0.310 176.290 176.600 -0.001 0.000 0.984 17 K CA 0.115 56.409 56.287 0.011 0.000 0.739 17 K CB -2.082 30.421 32.500 0.005 0.000 1.351 17 K HN -0.050 nan 8.250 nan 0.000 0.463 18 V N 1.520 121.439 119.914 0.008 0.000 2.585 18 V HA -0.063 4.057 4.120 -0.000 0.000 0.296 18 V C 1.734 177.790 176.094 -0.064 0.000 1.035 18 V CA 0.595 62.890 62.300 -0.008 0.000 1.084 18 V CB 1.153 32.983 31.823 0.011 0.000 0.953 18 V HN 0.385 nan 8.190 nan 0.000 0.483 19 E N 3.079 123.200 120.200 -0.133 0.000 2.166 19 E HA 0.090 4.440 4.350 -0.000 0.000 0.192 19 E C -0.783 175.421 176.600 -0.659 0.000 0.967 19 E CA 0.743 56.903 56.400 -0.399 0.000 0.840 19 E CB 0.386 29.814 29.700 -0.454 0.000 0.795 19 E HN 0.702 nan 8.360 nan 0.000 0.470 20 Y N -0.753 119.558 120.300 0.018 0.000 2.545 20 Y HA 0.423 4.972 4.550 -0.000 0.000 0.348 20 Y C -0.523 175.344 175.900 -0.055 0.000 1.002 20 Y CA -1.190 56.911 58.100 0.002 0.000 1.039 20 Y CB 1.688 40.155 38.460 0.011 0.000 1.271 20 Y HN -0.346 nan 8.280 nan 0.000 0.467 21 V N 1.603 121.565 119.914 0.080 0.000 2.448 21 V HA 0.272 4.392 4.120 -0.000 0.000 0.295 21 V C -1.113 174.917 176.094 -0.107 0.000 1.025 21 V CA -0.837 61.393 62.300 -0.118 0.000 0.859 21 V CB 1.653 33.252 31.823 -0.374 0.000 0.988 21 V HN 0.703 nan 8.190 nan 0.000 0.431 22 D N 3.426 123.747 120.400 -0.131 0.000 2.359 22 D HA 0.395 5.035 4.640 -0.000 0.000 0.230 22 D C -0.416 175.720 176.300 -0.273 0.000 1.118 22 D CA -0.058 53.843 54.000 -0.164 0.000 0.844 22 D CB 1.477 42.220 40.800 -0.096 0.000 1.059 22 D HN 0.298 nan 8.370 nan 0.000 0.493 23 V N 5.641 125.234 119.914 -0.536 0.000 2.408 23 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 23 V C 0.539 176.267 176.094 -0.610 0.000 1.047 23 V CA -0.188 61.623 62.300 -0.814 0.000 0.937 23 V CB 0.516 31.377 31.823 -1.604 0.000 0.999 23 V HN 0.450 nan 8.190 nan 0.000 0.472 24 R N 5.027 125.352 120.500 -0.292 0.000 2.740 24 R HA 0.820 5.160 4.340 -0.000 0.000 0.282 24 R C -1.026 175.265 176.300 -0.015 0.000 0.969 24 R CA -0.516 55.463 56.100 -0.201 0.000 0.918 24 R CB 2.436 32.616 30.300 -0.200 0.000 1.175 24 R HN 0.692 nan 8.270 nan 0.000 0.464 25 F N -1.815 118.012 119.950 -0.204 0.000 2.711 25 F HA 0.562 5.089 4.527 -0.000 0.000 0.313 25 F C -1.202 174.510 175.800 -0.146 0.000 1.141 25 F CA -1.382 56.517 58.000 -0.169 0.000 0.941 25 F CB 0.901 39.793 39.000 -0.179 0.000 1.349 25 F HN 0.447 nan 8.300 nan 0.000 0.464 26 C N 3.168 122.496 119.300 0.046 0.000 2.319 26 C HA 0.559 5.019 4.460 -0.000 0.000 0.335 26 C C -0.276 174.769 174.990 0.092 0.000 1.274 26 C CA -0.416 58.590 59.018 -0.020 0.000 1.806 26 C CB -0.514 27.203 27.740 -0.038 0.000 2.329 26 C HN 0.911 nan 8.230 nan 0.000 0.524 27 D N 3.644 123.983 120.400 -0.100 0.000 2.398 27 D HA 0.052 4.691 4.640 -0.000 0.000 0.247 27 D C 0.895 177.234 176.300 0.065 0.000 1.227 27 D CA -0.620 53.274 54.000 -0.176 0.000 0.980 27 D CB 0.409 41.020 40.800 -0.316 0.000 1.106 27 D HN 0.356 nan 8.370 nan 0.000 0.493 28 L N 0.435 121.727 121.223 0.114 0.000 2.005 28 L HA 0.042 4.381 4.340 -0.000 0.000 0.207 28 L C -0.963 176.063 176.870 0.261 0.000 1.072 28 L CA 1.578 56.566 54.840 0.247 0.000 0.744 28 L CB -1.505 40.722 42.059 0.281 0.000 0.895 28 L HN 0.410 nan 8.230 nan 0.000 0.433 29 P HA -0.022 nan 4.420 nan 0.000 0.218 29 P C 0.565 177.963 177.300 0.164 0.000 1.148 29 P CA 1.936 65.040 63.100 0.008 0.000 0.822 29 P CB -0.025 31.537 31.700 -0.229 0.000 0.784 30 G N -3.197 105.660 108.800 0.094 0.000 2.240 30 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.181 30 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.181 30 G C -0.226 174.686 174.900 0.020 0.000 1.028 30 G CA -0.627 44.530 45.100 0.095 0.000 0.760 30 G HN 0.070 nan 8.290 nan 0.000 0.508 31 I N 2.151 122.702 120.570 -0.031 0.000 2.353 31 I HA 0.461 4.631 4.170 -0.000 0.000 0.293 31 I C 0.715 176.750 176.117 -0.136 0.000 0.992 31 I CA -0.755 60.499 61.300 -0.077 0.000 1.268 31 I CB 1.217 39.166 38.000 -0.084 0.000 1.387 31 I HN -0.017 nan 8.210 nan 0.000 0.478 32 M N 5.443 124.952 119.600 -0.152 0.000 2.238 32 M HA 0.203 4.683 4.480 -0.000 0.000 0.347 32 M C 0.092 176.194 176.300 -0.331 0.000 1.173 32 M CA -0.156 55.000 55.300 -0.239 0.000 1.147 32 M CB 0.437 32.909 32.600 -0.213 0.000 1.547 32 M HN 0.398 nan 8.290 nan 0.000 0.455 33 Q N 2.249 121.712 119.800 -0.562 0.000 2.301 33 Q HA 0.596 4.935 4.340 -0.000 0.000 0.267 33 Q C -0.778 174.907 176.000 -0.525 0.000 1.035 33 Q CA -0.486 54.926 55.803 -0.650 0.000 0.856 33 Q CB 2.291 30.272 28.738 -1.262 0.000 1.337 33 Q HN 0.886 nan 8.270 nan 0.000 0.450 34 H N -1.141 117.677 119.070 -0.420 0.000 3.046 34 H HA 0.745 5.301 4.556 0.000 0.000 0.361 34 H C -1.357 173.926 175.328 -0.076 0.000 1.235 34 H CA -0.970 54.891 56.048 -0.312 0.000 1.146 34 H CB 1.205 30.784 29.762 -0.304 0.000 1.859 34 H HN 0.495 nan 8.280 nan 0.000 0.548 35 F N -0.787 118.965 119.950 -0.330 0.000 2.643 35 F HA 0.770 5.297 4.527 0.000 0.000 0.314 35 F C -1.469 174.221 175.800 -0.182 0.000 1.096 35 F CA -1.035 56.760 58.000 -0.342 0.000 0.953 35 F CB 1.856 40.729 39.000 -0.212 0.000 1.345 35 F HN 0.613 nan 8.300 nan 0.000 0.468 36 T N 3.132 117.709 114.554 0.038 0.000 2.823 36 T HA 0.682 5.032 4.350 -0.000 0.000 0.279 36 T C -0.421 174.358 174.700 0.131 0.000 0.998 36 T CA -0.508 61.591 62.100 -0.001 0.000 0.994 36 T CB 1.319 70.152 68.868 -0.057 0.000 0.960 36 T HN 0.763 nan 8.240 nan 0.000 0.448 37 I N 1.045 121.691 120.570 0.126 0.000 2.693 37 I HA 0.752 4.922 4.170 -0.000 0.000 0.303 37 I C -2.768 173.517 176.117 0.280 0.000 1.025 37 I CA -3.240 58.185 61.300 0.209 0.000 1.086 37 I CB 2.287 40.416 38.000 0.215 0.000 1.268 37 I HN 0.300 nan 8.210 nan 0.000 0.440 38 P HA 0.127 nan 4.420 nan 0.000 0.274 38 P C 0.454 177.845 177.300 0.152 0.000 1.237 38 P CA -0.206 63.045 63.100 0.251 0.000 0.793 38 P CB 1.310 33.124 31.700 0.190 0.000 0.977 39 A N 2.546 125.389 122.820 0.037 0.000 1.948 39 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 39 A C 2.243 179.931 177.584 0.172 0.000 1.177 39 A CA 2.590 54.693 52.037 0.110 0.000 0.636 39 A CB -1.885 17.127 19.000 0.020 0.000 0.815 39 A HN 0.684 nan 8.150 nan 0.000 0.449 40 S N -0.277 115.483 115.700 0.100 0.000 2.419 40 S HA 0.098 4.568 4.470 -0.000 0.000 0.233 40 S C 1.701 176.376 174.600 0.125 0.000 1.016 40 S CA 1.181 59.436 58.200 0.092 0.000 0.974 40 S CB -0.447 62.786 63.200 0.056 0.000 0.786 40 S HN 0.997 nan 8.310 nan 0.000 0.492 41 A N -0.011 122.914 122.820 0.175 0.000 2.275 41 A HA 0.444 4.764 4.320 -0.000 0.000 0.212 41 A C 0.407 178.171 177.584 0.299 0.000 1.201 41 A CA -0.386 51.768 52.037 0.196 0.000 0.843 41 A CB -0.420 18.692 19.000 0.186 0.000 0.873 41 A HN 0.509 nan 8.150 nan 0.000 0.492 42 F N 2.777 122.830 119.950 0.172 0.000 2.406 42 F HA 0.455 4.982 4.527 -0.000 0.000 0.358 42 F C -0.411 175.607 175.800 0.363 0.000 1.161 42 F CA -1.878 56.284 58.000 0.270 0.000 1.185 42 F CB -0.084 39.078 39.000 0.270 0.000 1.421 42 F HN 0.346 nan 8.300 nan 0.000 0.576 43 D N 2.756 123.192 120.400 0.060 0.000 2.758 43 D HA 0.285 4.925 4.640 -0.000 0.000 0.279 43 D C 0.567 176.968 176.300 0.167 0.000 1.111 43 D CA -0.746 53.222 54.000 -0.052 0.000 1.109 43 D CB 0.742 41.514 40.800 -0.047 0.000 1.428 43 D HN 0.182 nan 8.370 nan 0.000 0.586 44 K N -0.481 119.956 120.400 0.062 0.000 2.209 44 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 44 K C 1.750 178.482 176.600 0.220 0.000 1.048 44 K CA 1.086 57.495 56.287 0.203 0.000 0.940 44 K CB -0.162 32.354 32.500 0.026 0.000 0.729 44 K HN 0.333 nan 8.250 nan 0.000 0.451 45 S N 0.705 116.490 115.700 0.141 0.000 2.399 45 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 45 S C 1.936 176.629 174.600 0.156 0.000 1.022 45 S CA 0.866 59.140 58.200 0.123 0.000 0.983 45 S CB -0.095 63.157 63.200 0.086 0.000 0.803 45 S HN 0.069 nan 8.310 nan 0.000 0.480 46 V N 0.923 120.957 119.914 0.200 0.000 2.343 46 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 46 V C 2.006 178.138 176.094 0.063 0.000 1.051 46 V CA 1.922 64.329 62.300 0.178 0.000 1.036 46 V CB -0.874 31.096 31.823 0.245 0.000 0.654 46 V HN 0.519 nan 8.190 nan 0.000 0.451 47 F N 0.137 120.130 119.950 0.072 0.000 2.234 47 F HA -0.049 4.478 4.527 -0.000 0.000 0.296 47 F C 2.248 178.054 175.800 0.010 0.000 1.089 47 F CA 1.350 59.360 58.000 0.016 0.000 1.343 47 F CB -0.351 38.640 39.000 -0.015 0.000 1.040 47 F HN 0.191 nan 8.300 nan 0.000 0.498 48 D N -0.303 120.216 120.400 0.197 0.000 2.149 48 D HA -0.090 4.550 4.640 -0.000 0.000 0.206 48 D C 1.554 177.888 176.300 0.056 0.000 0.967 48 D CA 1.340 55.403 54.000 0.104 0.000 0.848 48 D CB -0.248 40.604 40.800 0.085 0.000 0.998 48 D HN 0.240 nan 8.370 nan 0.000 0.474 49 D N -0.537 119.900 120.400 0.062 0.000 2.380 49 D HA 0.231 4.871 4.640 -0.000 0.000 0.212 49 D C 1.390 177.713 176.300 0.037 0.000 1.021 49 D CA 0.880 54.903 54.000 0.037 0.000 0.884 49 D CB 1.315 42.139 40.800 0.041 0.000 1.001 49 D HN 0.225 nan 8.370 nan 0.000 0.506 50 G N 0.627 109.470 108.800 0.073 0.000 2.698 50 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.225 50 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.225 50 G C -0.978 174.003 174.900 0.136 0.000 1.345 50 G CA -0.582 44.584 45.100 0.112 0.000 0.871 50 G HN 0.177 nan 8.290 nan 0.000 0.540 51 L N -0.253 121.073 121.223 0.171 0.000 2.371 51 L HA 0.821 5.161 4.340 -0.000 0.000 0.262 51 L C 0.683 177.638 176.870 0.143 0.000 1.006 51 L CA -0.602 54.339 54.840 0.168 0.000 0.818 51 L CB 2.151 44.368 42.059 0.264 0.000 1.354 51 L HN 1.370 nan 8.230 nan 0.000 0.415 52 A N 1.465 124.323 122.820 0.062 0.000 2.294 52 A HA 0.946 5.266 4.320 -0.000 0.000 0.330 52 A C -0.976 176.624 177.584 0.027 0.000 1.133 52 A CA -0.301 51.732 52.037 -0.008 0.000 0.836 52 A CB 1.065 20.001 19.000 -0.106 0.000 1.190 52 A HN 0.643 nan 8.150 nan 0.000 0.492 53 F N -1.031 118.804 119.950 -0.192 0.000 2.745 53 F HA 0.630 5.157 4.527 0.000 0.000 0.316 53 F C -1.112 174.612 175.800 -0.127 0.000 1.155 53 F CA -1.160 56.726 58.000 -0.189 0.000 0.937 53 F CB 1.185 40.122 39.000 -0.105 0.000 1.361 53 F HN 0.419 nan 8.300 nan 0.000 0.472 54 D N 0.859 121.235 120.400 -0.040 0.000 2.441 54 D HA 0.310 4.950 4.640 -0.000 0.000 0.221 54 D C 1.118 177.393 176.300 -0.041 0.000 1.156 54 D CA 0.046 53.980 54.000 -0.111 0.000 0.896 54 D CB 1.179 41.973 40.800 -0.009 0.000 1.028 54 D HN 0.873 nan 8.370 nan 0.000 0.509 55 G N 2.179 110.795 108.800 -0.306 0.000 2.509 55 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 55 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 55 G C 1.378 176.365 174.900 0.144 0.000 1.124 55 G CA 0.870 45.951 45.100 -0.032 0.000 0.776 55 G HN 0.535 nan 8.290 nan 0.000 0.547 56 S N -0.356 115.375 115.700 0.052 0.000 2.489 56 S HA 0.085 4.555 4.470 -0.000 0.000 0.228 56 S C 2.039 176.695 174.600 0.094 0.000 0.995 56 S CA 1.142 59.387 58.200 0.076 0.000 0.934 56 S CB 0.055 63.276 63.200 0.035 0.000 0.771 56 S HN 0.097 nan 8.310 nan 0.000 0.522 57 S N 1.004 116.763 115.700 0.098 0.000 2.575 57 S HA 0.396 4.866 4.470 -0.000 0.000 0.215 57 S C 0.225 174.869 174.600 0.073 0.000 0.966 57 S CA -0.232 58.017 58.200 0.082 0.000 0.911 57 S CB -0.104 63.139 63.200 0.071 0.000 0.780 57 S HN 0.436 nan 8.310 nan 0.000 0.514 58 I N 2.576 123.198 120.570 0.087 0.000 2.359 58 I HA 0.338 4.508 4.170 -0.000 0.000 0.294 58 I C 0.420 176.491 176.117 -0.076 0.000 0.987 58 I CA -0.629 60.629 61.300 -0.071 0.000 1.225 58 I CB 1.015 38.874 38.000 -0.234 0.000 1.366 58 I HN -0.051 nan 8.210 nan 0.000 0.466 59 R N 3.329 123.759 120.500 -0.116 0.000 2.489 59 R HA 0.341 4.680 4.340 -0.000 0.000 0.287 59 R C 1.088 177.383 176.300 -0.008 0.000 1.053 59 R CA 0.669 56.749 56.100 -0.033 0.000 1.036 59 R CB 0.256 30.500 30.300 -0.094 0.000 0.966 59 R HN 0.989 nan 8.270 nan 0.000 0.432 60 G N 1.805 110.685 108.800 0.134 0.000 2.162 60 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 60 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 60 G C 0.034 175.252 174.900 0.530 0.000 0.976 60 G CA 0.076 45.331 45.100 0.260 0.000 0.655 60 G HN 0.460 nan 8.290 nan 0.000 0.533 61 F N 0.273 120.343 119.950 0.200 0.000 2.646 61 F HA 0.527 5.054 4.527 -0.000 0.000 0.180 61 F C 1.427 177.365 175.800 0.229 0.000 1.185 61 F CA -0.102 58.080 58.000 0.303 0.000 0.926 61 F CB -0.744 38.443 39.000 0.313 0.000 1.668 61 F HN 0.015 nan 8.300 nan 0.000 0.658 62 Q N 0.454 120.467 119.800 0.354 0.000 2.193 62 Q HA 0.350 4.690 4.340 -0.000 0.000 0.246 62 Q C -0.214 175.839 176.000 0.089 0.000 0.959 62 Q CA -0.472 55.414 55.803 0.139 0.000 0.904 62 Q CB 1.534 30.268 28.738 -0.006 0.000 1.238 62 Q HN 0.501 nan 8.270 nan 0.000 0.469 63 S N -0.660 115.039 115.700 -0.002 0.000 2.669 63 S HA 0.304 4.774 4.470 -0.000 0.000 0.270 63 S C 1.172 175.737 174.600 -0.057 0.000 1.225 63 S CA -0.713 57.482 58.200 -0.009 0.000 0.991 63 S CB 0.575 63.768 63.200 -0.012 0.000 0.987 63 S HN 0.717 nan 8.310 nan 0.000 0.552 64 I N 1.160 121.763 120.570 0.054 0.000 2.361 64 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 64 I C 2.309 178.460 176.117 0.057 0.000 1.133 64 I CA 1.434 62.770 61.300 0.061 0.000 1.413 64 I CB -0.207 37.849 38.000 0.094 0.000 1.073 64 I HN 0.884 nan 8.210 nan 0.000 0.424 65 H N -0.183 118.898 119.070 0.018 0.000 2.548 65 H HA 0.116 4.671 4.556 -0.000 0.000 0.268 65 H C 0.405 175.744 175.328 0.019 0.000 0.975 65 H CA 0.344 56.402 56.048 0.016 0.000 1.195 65 H CB -0.292 29.483 29.762 0.021 0.000 1.397 65 H HN 0.474 nan 8.280 nan 0.000 0.572 66 E N 1.463 121.450 120.200 -0.356 0.000 2.989 66 E HA 0.090 4.440 4.350 -0.000 0.000 0.207 66 E C 1.010 177.505 176.600 -0.176 0.000 0.989 66 E CA 0.068 56.332 56.400 -0.227 0.000 1.186 66 E CB 0.872 30.404 29.700 -0.280 0.000 1.141 66 E HN 0.462 nan 8.360 nan 0.000 0.454 67 S N -0.132 115.480 115.700 -0.147 0.000 2.345 67 S HA -0.131 4.339 4.470 -0.000 0.000 0.220 67 S C 0.770 175.207 174.600 -0.273 0.000 1.031 67 S CA 0.508 58.611 58.200 -0.162 0.000 0.996 67 S CB -0.326 62.810 63.200 -0.107 0.000 0.882 67 S HN 0.122 nan 8.310 nan 0.000 0.445 68 D N 2.592 122.828 120.400 -0.274 0.000 2.586 68 D HA 0.285 4.925 4.640 -0.000 0.000 0.234 68 D C -0.008 175.994 176.300 -0.497 0.000 1.132 68 D CA 0.970 54.748 54.000 -0.370 0.000 0.860 68 D CB 0.105 40.718 40.800 -0.311 0.000 1.159 68 D HN 0.213 nan 8.370 nan 0.000 0.490 69 M N 1.333 120.504 119.600 -0.715 0.000 2.691 69 M HA 0.517 4.997 4.480 -0.000 0.000 0.293 69 M C -0.797 175.212 176.300 -0.485 0.000 1.259 69 M CA -0.964 53.895 55.300 -0.734 0.000 0.827 69 M CB 1.738 33.687 32.600 -1.085 0.000 1.753 69 M HN 0.270 nan 8.290 nan 0.000 0.465 70 L N 1.096 122.200 121.223 -0.198 0.000 2.333 70 L HA 0.786 5.126 4.340 -0.000 0.000 0.269 70 L C -1.784 175.198 176.870 0.187 0.000 1.010 70 L CA -0.392 54.453 54.840 0.008 0.000 0.818 70 L CB 1.826 43.871 42.059 -0.022 0.000 1.306 70 L HN 0.635 nan 8.230 nan 0.000 0.430 71 L N 4.609 125.959 121.223 0.212 0.000 2.386 71 L HA 0.597 4.937 4.340 -0.000 0.000 0.271 71 L C -1.254 175.838 176.870 0.370 0.000 0.993 71 L CA -0.505 54.509 54.840 0.291 0.000 0.819 71 L CB 1.969 44.120 42.059 0.153 0.000 1.294 71 L HN 0.458 nan 8.230 nan 0.000 0.414 72 L N 4.344 125.792 121.223 0.376 0.000 2.385 72 L HA 0.567 4.907 4.340 -0.000 0.000 0.273 72 L C -2.310 174.463 176.870 -0.162 0.000 0.990 72 L CA -1.851 53.054 54.840 0.109 0.000 0.821 72 L CB 2.536 44.533 42.059 -0.104 0.000 1.279 72 L HN 0.300 nan 8.230 nan 0.000 0.412 73 P HA 0.018 nan 4.420 nan 0.000 0.269 73 P C -1.232 175.762 177.300 -0.509 0.000 1.215 73 P CA -0.121 62.141 63.100 -1.397 0.000 0.780 73 P CB 1.036 31.802 31.700 -1.556 0.000 0.898 74 D N 2.949 123.093 120.400 -0.428 0.000 2.464 74 D HA 0.187 4.827 4.640 -0.000 0.000 0.243 74 D C -1.509 174.744 176.300 -0.079 0.000 1.104 74 D CA -2.590 51.356 54.000 -0.089 0.000 0.883 74 D CB 0.807 41.544 40.800 -0.105 0.000 1.050 74 D HN 0.087 nan 8.370 nan 0.000 0.524 75 P HA -0.146 nan 4.420 nan 0.000 0.221 75 P C 0.878 178.185 177.300 0.012 0.000 1.145 75 P CA 0.788 63.925 63.100 0.063 0.000 0.795 75 P CB 0.520 32.294 31.700 0.122 0.000 0.775 76 E N -0.252 119.959 120.200 0.019 0.000 2.265 76 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 76 E C 1.486 178.051 176.600 -0.057 0.000 0.996 76 E CA 1.741 58.135 56.400 -0.010 0.000 0.832 76 E CB -0.633 29.101 29.700 0.056 0.000 0.756 76 E HN 0.445 nan 8.360 nan 0.000 0.491 77 T N -2.125 112.396 114.554 -0.055 0.000 3.145 77 T HA 0.437 4.787 4.350 -0.000 0.000 0.255 77 T C 0.589 175.240 174.700 -0.082 0.000 1.039 77 T CA -0.088 61.966 62.100 -0.076 0.000 0.928 77 T CB 0.355 69.177 68.868 -0.076 0.000 1.029 77 T HN 0.059 nan 8.240 nan 0.000 0.554 78 A N 2.508 125.286 122.820 -0.071 0.000 2.404 78 A HA 0.656 4.976 4.320 -0.000 0.000 0.273 78 A C 0.169 177.714 177.584 -0.066 0.000 1.144 78 A CA -0.544 51.453 52.037 -0.066 0.000 0.806 78 A CB 0.193 19.170 19.000 -0.039 0.000 1.080 78 A HN 0.396 nan 8.150 nan 0.000 0.509 79 R N 2.305 122.766 120.500 -0.066 0.000 2.698 79 R HA 0.377 4.716 4.340 -0.000 0.000 0.275 79 R C -1.038 175.235 176.300 -0.044 0.000 1.001 79 R CA -0.923 55.145 56.100 -0.052 0.000 0.896 79 R CB 1.148 31.420 30.300 -0.046 0.000 1.218 79 R HN 0.598 nan 8.270 nan 0.000 0.462 80 I N 1.877 122.427 120.570 -0.034 0.000 2.496 80 I HA 0.019 4.189 4.170 -0.000 0.000 0.285 80 I C 0.913 177.010 176.117 -0.032 0.000 1.080 80 I CA -0.008 61.274 61.300 -0.030 0.000 1.404 80 I CB 0.287 38.270 38.000 -0.028 0.000 1.403 80 I HN 0.403 nan 8.210 nan 0.000 0.539 81 D N 9.015 129.406 120.400 -0.016 0.000 2.383 81 D HA 0.099 4.739 4.640 -0.000 0.000 0.252 81 D C -1.661 174.573 176.300 -0.110 0.000 1.166 81 D CA -1.132 52.871 54.000 0.005 0.000 0.879 81 D CB 1.912 42.764 40.800 0.087 0.000 1.164 81 D HN 0.275 nan 8.370 nan 0.000 0.462 82 P HA 0.052 nan 4.420 nan 0.000 0.236 82 P C 0.544 177.502 177.300 -0.569 0.000 1.177 82 P CA 0.521 63.277 63.100 -0.573 0.000 0.773 82 P CB 0.113 31.270 31.700 -0.905 0.000 0.878 83 F N -0.732 119.237 119.950 0.031 0.000 2.553 83 F HA 0.257 4.784 4.527 -0.000 0.000 0.282 83 F C 1.288 177.108 175.800 0.033 0.000 1.089 83 F CA -0.263 57.745 58.000 0.013 0.000 1.411 83 F CB -0.640 38.342 39.000 -0.030 0.000 1.125 83 F HN -0.382 nan 8.300 nan 0.000 0.610 84 R N 0.939 121.562 120.500 0.204 0.000 2.401 84 R HA 0.351 4.691 4.340 -0.000 0.000 0.299 84 R C 1.275 177.642 176.300 0.111 0.000 1.064 84 R CA 0.304 56.494 56.100 0.150 0.000 1.000 84 R CB 0.876 31.259 30.300 0.139 0.000 0.973 84 R HN 0.200 nan 8.270 nan 0.000 0.438 85 A N 3.521 126.404 122.820 0.104 0.000 1.940 85 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 85 A C 1.040 178.682 177.584 0.096 0.000 1.176 85 A CA 1.563 53.652 52.037 0.087 0.000 0.631 85 A CB -0.157 18.891 19.000 0.080 0.000 0.814 85 A HN 0.736 nan 8.150 nan 0.000 0.446 86 A N 0.012 122.913 122.820 0.134 0.000 2.354 86 A HA 0.489 4.809 4.320 -0.000 0.000 0.281 86 A C 0.203 177.889 177.584 0.170 0.000 1.174 86 A CA -0.508 51.639 52.037 0.183 0.000 0.828 86 A CB -0.020 19.188 19.000 0.346 0.000 1.099 86 A HN 0.256 nan 8.150 nan 0.000 0.516 87 K N 2.178 122.638 120.400 0.100 0.000 2.437 87 K HA 0.166 4.486 4.320 -0.000 0.000 0.277 87 K C -0.356 176.294 176.600 0.084 0.000 1.073 87 K CA 1.069 57.394 56.287 0.065 0.000 1.105 87 K CB -0.169 32.346 32.500 0.025 0.000 0.881 87 K HN 0.637 nan 8.250 nan 0.000 0.475 88 T N 4.918 119.519 114.554 0.078 0.000 2.861 88 T HA 0.400 4.750 4.350 -0.000 0.000 0.287 88 T C -1.317 173.391 174.700 0.013 0.000 1.003 88 T CA -0.742 61.406 62.100 0.079 0.000 0.977 88 T CB 1.037 69.972 68.868 0.110 0.000 0.996 88 T HN 0.411 nan 8.240 nan 0.000 0.448 89 L N 4.078 125.284 121.223 -0.029 0.000 2.280 89 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 89 L C -0.678 176.122 176.870 -0.116 0.000 1.023 89 L CA -0.487 54.305 54.840 -0.080 0.000 0.819 89 L CB 0.654 42.642 42.059 -0.119 0.000 1.212 89 L HN 0.445 nan 8.230 nan 0.000 0.420 90 N N 6.498 125.138 118.700 -0.100 0.000 2.472 90 N HA 0.522 5.262 4.740 -0.000 0.000 0.277 90 N C -0.925 174.521 175.510 -0.107 0.000 1.081 90 N CA 0.020 52.996 53.050 -0.123 0.000 0.973 90 N CB 1.550 39.950 38.487 -0.145 0.000 1.105 90 N HN 0.533 nan 8.380 nan 0.000 0.470 91 I N 1.375 121.903 120.570 -0.071 0.000 2.582 91 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 91 I C -0.423 175.749 176.117 0.093 0.000 1.066 91 I CA -0.985 60.303 61.300 -0.020 0.000 1.053 91 I CB 1.836 39.816 38.000 -0.034 0.000 1.241 91 I HN 0.182 nan 8.210 nan 0.000 0.421 92 N N 4.625 123.324 118.700 -0.002 0.000 2.530 92 N HA 0.552 5.291 4.740 -0.000 0.000 0.277 92 N C -1.146 174.365 175.510 0.002 0.000 1.168 92 N CA 0.101 53.165 53.050 0.023 0.000 0.979 92 N CB 0.838 39.263 38.487 -0.103 0.000 1.141 92 N HN 0.334 nan 8.380 nan 0.000 0.459 93 F N 0.291 120.117 119.950 -0.207 0.000 2.593 93 F HA 0.497 5.024 4.527 -0.000 0.000 0.320 93 F C -0.205 175.458 175.800 -0.228 0.000 1.060 93 F CA -1.013 56.890 58.000 -0.161 0.000 0.940 93 F CB 1.323 40.284 39.000 -0.064 0.000 1.268 93 F HN 0.224 nan 8.300 nan 0.000 0.475 94 F N 1.390 121.452 119.950 0.186 0.000 2.399 94 F HA 0.513 5.040 4.527 -0.000 0.000 0.334 94 F C -0.107 175.828 175.800 0.226 0.000 1.097 94 F CA -0.956 57.133 58.000 0.148 0.000 1.076 94 F CB 1.228 40.324 39.000 0.160 0.000 1.162 94 F HN -0.070 nan 8.300 nan 0.000 0.495 95 V N 3.751 123.828 119.914 0.272 0.000 2.498 95 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 95 V C -0.019 176.101 176.094 0.044 0.000 1.048 95 V CA -0.460 61.938 62.300 0.164 0.000 0.967 95 V CB 0.431 32.307 31.823 0.088 0.000 0.988 95 V HN 0.681 nan 8.190 nan 0.000 0.473 96 H N 1.883 120.965 119.070 0.020 0.000 2.797 96 H HA 0.303 4.859 4.556 -0.000 0.000 0.372 96 H C -0.750 174.511 175.328 -0.112 0.000 1.168 96 H CA -0.775 55.267 56.048 -0.010 0.000 1.163 96 H CB 2.397 32.166 29.762 0.012 0.000 1.778 96 H HN 0.691 nan 8.280 nan 0.000 0.551 97 D N 2.611 123.029 120.400 0.030 0.000 2.425 97 D HA -0.006 4.634 4.640 -0.000 0.000 0.247 97 D C -1.642 174.621 176.300 -0.060 0.000 1.147 97 D CA -1.260 52.717 54.000 -0.039 0.000 0.879 97 D CB 1.681 42.510 40.800 0.048 0.000 1.179 97 D HN 0.275 nan 8.370 nan 0.000 0.456 98 P HA -0.036 nan 4.420 nan 0.000 0.231 98 P C 0.996 178.098 177.300 -0.331 0.000 1.168 98 P CA 0.578 63.489 63.100 -0.315 0.000 0.779 98 P CB 0.117 31.514 31.700 -0.506 0.000 0.844 99 F N 0.832 120.761 119.950 -0.035 0.000 2.243 99 F HA 0.016 4.543 4.527 -0.000 0.000 0.287 99 F C 2.535 178.330 175.800 -0.008 0.000 1.067 99 F CA 1.861 59.848 58.000 -0.022 0.000 1.304 99 F CB -1.552 37.434 39.000 -0.023 0.000 1.087 99 F HN -0.084 nan 8.300 nan 0.000 0.513 100 T N -2.323 112.350 114.554 0.198 0.000 3.065 100 T HA 0.155 4.505 4.350 -0.000 0.000 0.252 100 T C 1.151 175.904 174.700 0.089 0.000 1.099 100 T CA 0.387 62.559 62.100 0.120 0.000 1.063 100 T CB -0.442 68.486 68.868 0.099 0.000 0.948 100 T HN 0.264 nan 8.240 nan 0.000 0.506 101 L N -0.731 120.545 121.223 0.088 0.000 4.625 101 L HA -0.155 4.185 4.340 -0.000 0.000 0.428 101 L C -0.047 176.955 176.870 0.219 0.000 1.129 101 L CA 0.494 55.395 54.840 0.102 0.000 0.978 101 L CB -2.058 40.018 42.059 0.029 0.000 2.043 101 L HN 0.361 nan 8.230 nan 0.000 0.847 102 E N 1.046 121.338 120.200 0.153 0.000 2.383 102 E HA 0.263 4.613 4.350 -0.000 0.000 0.264 102 E C -1.950 174.674 176.600 0.041 0.000 1.050 102 E CA -1.723 54.743 56.400 0.110 0.000 0.896 102 E CB 0.455 30.185 29.700 0.051 0.000 0.982 102 E HN -0.001 nan 8.360 nan 0.000 0.424 103 P HA -0.072 nan 4.420 nan 0.000 0.266 103 P C -0.495 176.707 177.300 -0.164 0.000 1.195 103 P CA 0.192 63.030 63.100 -0.437 0.000 0.768 103 P CB 0.132 31.617 31.700 -0.359 0.000 0.838 104 Y N 2.449 122.559 120.300 -0.317 0.000 2.359 104 Y HA 0.059 4.609 4.550 -0.000 0.000 0.330 104 Y C 1.706 177.471 175.900 -0.224 0.000 1.143 104 Y CA -0.378 57.576 58.100 -0.244 0.000 1.318 104 Y CB 0.506 38.793 38.460 -0.288 0.000 1.234 104 Y HN 0.427 nan 8.280 nan 0.000 0.522 105 S N 4.514 119.965 115.700 -0.414 0.000 2.474 105 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 105 S C 1.092 175.351 174.600 -0.567 0.000 0.997 105 S CA 0.888 58.834 58.200 -0.422 0.000 0.949 105 S CB -0.121 62.897 63.200 -0.303 0.000 0.766 105 S HN 0.799 nan 8.310 nan 0.000 0.517 106 R N 0.950 120.831 120.500 -1.031 0.000 2.586 106 R HA 0.275 4.615 4.340 -0.000 0.000 0.336 106 R C -0.880 175.133 176.300 -0.478 0.000 1.060 106 R CA -0.115 55.545 56.100 -0.733 0.000 1.079 106 R CB 0.136 30.015 30.300 -0.702 0.000 1.317 106 R HN 0.314 nan 8.270 nan 0.000 0.568 107 D N 1.330 121.525 120.400 -0.342 0.000 2.339 107 D HA 0.116 4.756 4.640 -0.000 0.000 0.241 107 D C -1.702 174.531 176.300 -0.111 0.000 1.183 107 D CA -2.481 51.485 54.000 -0.057 0.000 0.859 107 D CB 1.732 42.553 40.800 0.035 0.000 1.067 107 D HN -0.134 nan 8.370 nan 0.000 0.484 108 P HA -0.128 nan 4.420 nan 0.000 0.216 108 P C 1.121 178.224 177.300 -0.327 0.000 1.150 108 P CA 1.159 64.154 63.100 -0.175 0.000 0.837 108 P CB 0.219 31.868 31.700 -0.086 0.000 0.786 109 R N -1.093 119.104 120.500 -0.505 0.000 2.152 109 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 109 R C 2.072 178.391 176.300 0.032 0.000 1.117 109 R CA 1.277 57.113 56.100 -0.440 0.000 0.981 109 R CB -0.860 29.088 30.300 -0.585 0.000 0.870 109 R HN 0.216 nan 8.270 nan 0.000 0.451 110 N N 0.976 119.695 118.700 0.031 0.000 2.188 110 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 110 N C 1.581 177.015 175.510 -0.127 0.000 1.018 110 N CA 0.986 54.026 53.050 -0.017 0.000 0.858 110 N CB 0.042 38.469 38.487 -0.100 0.000 0.989 110 N HN 0.010 nan 8.380 nan 0.000 0.426 111 I N 0.946 121.385 120.570 -0.219 0.000 2.208 111 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 111 I C 2.290 178.268 176.117 -0.231 0.000 1.097 111 I CA 1.126 62.214 61.300 -0.354 0.000 1.363 111 I CB -1.866 35.780 38.000 -0.590 0.000 1.051 111 I HN 0.147 nan 8.210 nan 0.000 0.413 112 A N 0.623 123.379 122.820 -0.106 0.000 1.902 112 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 112 A C 2.557 180.146 177.584 0.009 0.000 1.181 112 A CA 1.423 53.457 52.037 -0.004 0.000 0.623 112 A CB -0.635 18.443 19.000 0.129 0.000 0.818 112 A HN 0.285 nan 8.150 nan 0.000 0.443 113 R N -0.170 120.344 120.500 0.022 0.000 2.080 113 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 113 R C 2.196 178.478 176.300 -0.030 0.000 1.137 113 R CA 1.989 58.091 56.100 0.003 0.000 0.943 113 R CB -0.280 30.000 30.300 -0.034 0.000 0.846 113 R HN 0.536 nan 8.270 nan 0.000 0.431 114 K N -0.399 119.962 120.400 -0.065 0.000 2.097 114 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 114 K C 2.090 178.694 176.600 0.006 0.000 1.049 114 K CA 1.251 57.504 56.287 -0.056 0.000 0.933 114 K CB -0.127 32.300 32.500 -0.122 0.000 0.717 114 K HN 0.178 nan 8.250 nan 0.000 0.442 115 A N 1.859 124.674 122.820 -0.009 0.000 1.883 115 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 115 A C 1.943 179.609 177.584 0.136 0.000 1.186 115 A CA 1.592 53.674 52.037 0.075 0.000 0.624 115 A CB -0.436 18.594 19.000 0.051 0.000 0.822 115 A HN 0.300 nan 8.150 nan 0.000 0.444 116 E N -0.295 119.952 120.200 0.078 0.000 2.077 116 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 116 E C 1.734 178.368 176.600 0.058 0.000 0.989 116 E CA 1.105 57.544 56.400 0.064 0.000 0.800 116 E CB -0.202 29.510 29.700 0.020 0.000 0.746 116 E HN 0.548 nan 8.360 nan 0.000 0.452 117 N N 0.152 118.885 118.700 0.055 0.000 2.216 117 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 117 N C 1.686 177.242 175.510 0.076 0.000 1.017 117 N CA 0.745 53.822 53.050 0.046 0.000 0.861 117 N CB -0.261 38.242 38.487 0.027 0.000 0.986 117 N HN 0.231 nan 8.380 nan 0.000 0.428 118 Y N 1.837 122.139 120.300 0.003 0.000 2.181 118 Y HA -0.163 4.387 4.550 -0.000 0.000 0.288 118 Y C 2.313 178.232 175.900 0.032 0.000 1.146 118 Y CA 1.007 59.115 58.100 0.015 0.000 1.164 118 Y CB -0.569 37.901 38.460 0.017 0.000 0.982 118 Y HN -0.043 nan 8.280 nan 0.000 0.515 119 L N 0.618 121.842 121.223 0.003 0.000 1.990 119 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 119 L C 2.228 179.036 176.870 -0.102 0.000 1.072 119 L CA 2.106 56.913 54.840 -0.054 0.000 0.755 119 L CB -0.998 41.108 42.059 0.079 0.000 0.889 119 L HN 0.378 nan 8.230 nan 0.000 0.432 120 I N -0.412 120.127 120.570 -0.051 0.000 2.208 120 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 120 I C 2.608 178.676 176.117 -0.082 0.000 1.097 120 I CA 1.659 62.933 61.300 -0.043 0.000 1.363 120 I CB -0.579 37.413 38.000 -0.014 0.000 1.051 120 I HN 0.545 nan 8.210 nan 0.000 0.413 121 S N -0.236 115.390 115.700 -0.123 0.000 2.474 121 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 121 S C 1.956 176.442 174.600 -0.190 0.000 0.997 121 S CA 1.366 59.487 58.200 -0.131 0.000 0.949 121 S CB -0.937 62.202 63.200 -0.102 0.000 0.766 121 S HN 0.614 nan 8.310 nan 0.000 0.517 122 T N -3.209 111.175 114.554 -0.283 0.000 3.067 122 T HA 0.420 4.770 4.350 -0.000 0.000 0.261 122 T C 1.847 176.479 174.700 -0.113 0.000 1.110 122 T CA 0.970 62.924 62.100 -0.243 0.000 1.113 122 T CB -0.622 68.054 68.868 -0.320 0.000 0.917 122 T HN 1.174 nan 8.240 nan 0.000 0.499 123 G N 1.388 110.138 108.800 -0.083 0.000 2.245 123 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.264 123 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.264 123 G C 0.895 175.784 174.900 -0.019 0.000 0.985 123 G CA 0.412 45.489 45.100 -0.038 0.000 0.625 123 G HN 0.572 nan 8.290 nan 0.000 0.536 124 I N 0.937 121.494 120.570 -0.022 0.000 2.163 124 I HA 0.204 4.374 4.170 -0.000 0.000 0.243 124 I C 1.662 177.796 176.117 0.029 0.000 1.085 124 I CA 1.824 63.130 61.300 0.010 0.000 1.347 124 I CB -0.299 37.716 38.000 0.025 0.000 1.044 124 I HN 0.708 nan 8.210 nan 0.000 0.408 125 A N 0.138 122.977 122.820 0.031 0.000 2.581 125 A HA 0.428 4.748 4.320 -0.000 0.000 0.290 125 A C -0.798 176.814 177.584 0.046 0.000 1.119 125 A CA -0.155 51.916 52.037 0.057 0.000 0.670 125 A CB 0.790 19.844 19.000 0.090 0.000 1.280 125 A HN 0.223 nan 8.150 nan 0.000 0.425 126 D N -1.390 119.049 120.400 0.065 0.000 2.479 126 D HA 0.263 4.903 4.640 -0.000 0.000 0.216 126 D C 0.102 176.417 176.300 0.024 0.000 1.110 126 D CA 0.746 54.772 54.000 0.044 0.000 0.841 126 D CB 0.617 41.446 40.800 0.048 0.000 1.040 126 D HN 0.351 nan 8.370 nan 0.000 0.505 127 T N 0.163 114.731 114.554 0.024 0.000 2.921 127 T HA 0.728 5.078 4.350 -0.000 0.000 0.297 127 T C -1.067 173.559 174.700 -0.123 0.000 1.013 127 T CA -0.810 61.217 62.100 -0.121 0.000 0.990 127 T CB 1.899 70.596 68.868 -0.286 0.000 1.023 127 T HN 0.200 nan 8.240 nan 0.000 0.447 128 A N 2.849 125.597 122.820 -0.120 0.000 2.273 128 A HA 0.721 5.041 4.320 -0.000 0.000 0.315 128 A C -1.268 176.298 177.584 -0.030 0.000 1.256 128 A CA -0.626 51.421 52.037 0.016 0.000 0.851 128 A CB 0.225 19.389 19.000 0.274 0.000 1.172 128 A HN 0.778 nan 8.150 nan 0.000 0.508 129 Y N 1.247 121.589 120.300 0.070 0.000 2.326 129 Y HA 0.512 5.062 4.550 0.000 0.000 0.337 129 Y C -0.423 175.423 175.900 -0.090 0.000 1.023 129 Y CA -0.193 57.951 58.100 0.073 0.000 1.143 129 Y CB 1.053 39.467 38.460 -0.076 0.000 1.183 129 Y HN 0.577 nan 8.280 nan 0.000 0.485 130 F N 1.586 121.629 119.950 0.154 0.000 2.449 130 F HA 0.632 5.159 4.527 -0.000 0.000 0.342 130 F C 0.583 176.416 175.800 0.055 0.000 1.127 130 F CA -0.881 57.087 58.000 -0.054 0.000 0.975 130 F CB 1.893 40.637 39.000 -0.427 0.000 1.146 130 F HN 0.576 nan 8.300 nan 0.000 0.444 131 G N 1.904 110.785 108.800 0.134 0.000 2.478 131 G HA2 0.707 4.667 3.960 -0.000 0.000 0.317 131 G HA3 0.707 4.667 3.960 -0.000 0.000 0.317 131 G C -1.559 173.396 174.900 0.092 0.000 1.259 131 G CA -0.695 44.472 45.100 0.112 0.000 0.933 131 G HN 0.847 nan 8.290 nan 0.000 0.478 132 A N 2.407 125.231 122.820 0.006 0.000 2.401 132 A HA 0.848 5.168 4.320 -0.000 0.000 0.310 132 A C -0.474 177.080 177.584 -0.049 0.000 1.075 132 A CA -0.812 51.269 52.037 0.073 0.000 0.746 132 A CB 1.508 20.631 19.000 0.205 0.000 1.277 132 A HN 0.610 nan 8.150 nan 0.000 0.425 133 E N 1.369 121.601 120.200 0.054 0.000 2.346 133 E HA 0.462 4.812 4.350 -0.000 0.000 0.239 133 E C -0.551 176.073 176.600 0.040 0.000 0.943 133 E CA -0.463 55.942 56.400 0.008 0.000 0.751 133 E CB 1.632 31.371 29.700 0.065 0.000 1.241 133 E HN 0.701 nan 8.360 nan 0.000 0.423 134 A N 3.852 126.741 122.820 0.114 0.000 2.527 134 A HA 0.175 4.495 4.320 -0.000 0.000 0.313 134 A C 0.096 177.983 177.584 0.505 0.000 1.410 134 A CA -0.413 51.837 52.037 0.355 0.000 1.060 134 A CB -0.018 19.282 19.000 0.499 0.000 1.137 134 A HN 0.521 nan 8.150 nan 0.000 0.542 135 E N 0.942 121.280 120.200 0.229 0.000 2.374 135 E HA 0.545 4.895 4.350 -0.000 0.000 0.260 135 E C -0.539 176.056 176.600 -0.009 0.000 1.101 135 E CA 0.147 56.547 56.400 0.000 0.000 0.907 135 E CB 0.770 30.386 29.700 -0.140 0.000 1.014 135 E HN 0.694 nan 8.360 nan 0.000 0.427 136 F N -1.585 118.107 119.950 -0.430 0.000 2.713 136 F HA 0.486 5.013 4.527 -0.000 0.000 0.311 136 F C -1.671 173.714 175.800 -0.691 0.000 1.141 136 F CA -1.324 56.259 58.000 -0.695 0.000 0.939 136 F CB 0.844 39.082 39.000 -1.270 0.000 1.325 136 F HN 0.244 nan 8.300 nan 0.000 0.453 137 Y N 1.898 121.938 120.300 -0.434 0.000 2.341 137 Y HA 0.616 5.166 4.550 0.000 0.000 0.337 137 Y C -0.017 175.501 175.900 -0.636 0.000 1.014 137 Y CA -0.777 56.900 58.100 -0.705 0.000 1.111 137 Y CB 1.797 39.554 38.460 -1.171 0.000 1.194 137 Y HN 0.484 nan 8.280 nan 0.000 0.462 138 I N 5.706 126.012 120.570 -0.441 0.000 2.276 138 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 138 I C -0.760 175.300 176.117 -0.094 0.000 1.109 138 I CA -0.154 60.985 61.300 -0.268 0.000 1.229 138 I CB -0.372 37.417 38.000 -0.352 0.000 1.452 138 I HN 0.370 nan 8.210 nan 0.000 0.497 139 F N 3.362 123.385 119.950 0.122 0.000 2.375 139 F HA 0.255 4.782 4.527 -0.000 0.000 0.317 139 F C 1.448 177.339 175.800 0.153 0.000 1.124 139 F CA -0.612 57.489 58.000 0.169 0.000 1.050 139 F CB 0.482 39.584 39.000 0.170 0.000 1.314 139 F HN 0.326 nan 8.300 nan 0.000 0.511 140 D N -0.967 119.663 120.400 0.385 0.000 2.379 140 D HA 0.087 4.727 4.640 -0.000 0.000 0.218 140 D C 0.077 176.465 176.300 0.147 0.000 1.006 140 D CA 0.858 54.987 54.000 0.215 0.000 0.893 140 D CB 0.345 41.254 40.800 0.183 0.000 1.019 140 D HN 0.359 nan 8.370 nan 0.000 0.503 141 S N -1.019 114.780 115.700 0.167 0.000 2.567 141 S HA 0.606 5.076 4.470 -0.000 0.000 0.270 141 S C -1.392 173.273 174.600 0.108 0.000 1.152 141 S CA -0.855 57.413 58.200 0.114 0.000 0.835 141 S CB 2.328 65.573 63.200 0.075 0.000 1.115 141 S HN -0.063 nan 8.310 nan 0.000 0.459 142 V N 1.367 121.354 119.914 0.122 0.000 2.891 142 V HA 0.890 5.010 4.120 -0.000 0.000 0.304 142 V C -1.296 174.870 176.094 0.120 0.000 1.171 142 V CA 0.496 62.884 62.300 0.146 0.000 0.943 142 V CB 1.852 33.817 31.823 0.236 0.000 1.037 142 V HN 1.873 nan 8.190 nan 0.000 0.427 143 S N 5.437 121.213 115.700 0.127 0.000 2.579 143 S HA 0.995 5.465 4.470 -0.000 0.000 0.272 143 S C -1.104 173.382 174.600 -0.190 0.000 1.141 143 S CA -0.615 57.557 58.200 -0.048 0.000 0.843 143 S CB 2.033 65.308 63.200 0.126 0.000 1.122 143 S HN 2.010 nan 8.310 nan 0.000 0.468 144 F N -1.135 118.489 119.950 -0.543 0.000 2.725 144 F HA 0.825 5.352 4.527 -0.000 0.000 0.309 144 F C -1.671 173.721 175.800 -0.679 0.000 1.132 144 F CA -0.838 56.566 58.000 -0.994 0.000 0.957 144 F CB 0.624 39.373 39.000 -0.419 0.000 1.286 144 F HN 0.827 nan 8.300 nan 0.000 0.440 145 D N 0.132 120.266 120.400 -0.443 0.000 2.677 145 D HA 0.680 5.320 4.640 -0.000 0.000 0.298 145 D C -1.672 174.648 176.300 0.034 0.000 1.250 145 D CA -0.739 53.236 54.000 -0.043 0.000 0.888 145 D CB 1.685 42.520 40.800 0.058 0.000 1.397 145 D HN 0.744 nan 8.370 nan 0.000 0.461 146 S N -0.686 115.052 115.700 0.062 0.000 2.680 146 S HA 0.607 5.077 4.470 -0.000 0.000 0.262 146 S C -1.204 173.426 174.600 0.050 0.000 1.138 146 S CA -0.682 57.549 58.200 0.052 0.000 1.072 146 S CB 0.305 63.527 63.200 0.038 0.000 1.097 146 S HN 0.514 nan 8.310 nan 0.000 0.468 147 R N 1.725 122.255 120.500 0.051 0.000 2.960 147 R HA 0.762 5.102 4.340 -0.000 0.000 0.249 147 R C 1.310 177.634 176.300 0.040 0.000 1.192 147 R CA -0.390 55.735 56.100 0.042 0.000 1.035 147 R CB 0.543 30.868 30.300 0.042 0.000 1.234 147 R HN 0.558 nan 8.270 nan 0.000 0.493 148 A N 0.970 123.811 122.820 0.036 0.000 1.933 148 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 148 A C 1.208 178.821 177.584 0.049 0.000 1.175 148 A CA 1.832 53.894 52.037 0.042 0.000 0.628 148 A CB -0.486 18.535 19.000 0.036 0.000 0.814 148 A HN 0.784 nan 8.150 nan 0.000 0.444 149 N N -0.930 117.789 118.700 0.031 0.000 2.203 149 N HA 0.315 5.055 4.740 -0.000 0.000 0.207 149 N C 0.335 175.822 175.510 -0.039 0.000 1.130 149 N CA 0.923 53.984 53.050 0.018 0.000 0.861 149 N CB 0.598 39.094 38.487 0.015 0.000 1.005 149 N HN 0.446 nan 8.380 nan 0.000 0.507 150 G N -1.107 107.675 108.800 -0.031 0.000 2.519 150 G HA2 0.438 4.398 3.960 -0.000 0.000 0.292 150 G HA3 0.438 4.398 3.960 -0.000 0.000 0.292 150 G C -2.124 172.782 174.900 0.009 0.000 1.507 150 G CA -0.426 44.634 45.100 -0.066 0.000 0.806 150 G HN 0.159 nan 8.290 nan 0.000 0.523 151 S N -0.993 114.720 115.700 0.023 0.000 2.547 151 S HA 0.878 5.347 4.470 -0.000 0.000 0.270 151 S C -1.497 173.206 174.600 0.171 0.000 1.150 151 S CA -0.544 57.710 58.200 0.089 0.000 0.850 151 S CB 1.191 64.415 63.200 0.039 0.000 1.118 151 S HN 1.880 nan 8.310 nan 0.000 0.461 152 F N 2.206 122.168 119.950 0.020 0.000 2.693 152 F HA 0.850 5.377 4.527 -0.000 0.000 0.309 152 F C -1.789 174.097 175.800 0.144 0.000 1.129 152 F CA -1.133 56.870 58.000 0.005 0.000 0.948 152 F CB 0.821 39.785 39.000 -0.060 0.000 1.315 152 F HN 0.703 nan 8.300 nan 0.000 0.447 153 Y N -0.251 119.982 120.300 -0.112 0.000 2.588 153 Y HA 0.810 5.360 4.550 -0.000 0.000 0.343 153 Y C -1.723 174.224 175.900 0.079 0.000 1.065 153 Y CA -1.089 56.898 58.100 -0.188 0.000 1.038 153 Y CB 2.125 40.493 38.460 -0.154 0.000 1.297 153 Y HN 0.979 nan 8.280 nan 0.000 0.467 154 E N 2.423 122.678 120.200 0.091 0.000 2.343 154 E HA 0.517 4.867 4.350 -0.000 0.000 0.286 154 E C -1.857 174.742 176.600 -0.001 0.000 0.915 154 E CA -0.890 55.477 56.400 -0.055 0.000 0.784 154 E CB 2.707 32.414 29.700 0.013 0.000 1.251 154 E HN 0.861 nan 8.360 nan 0.000 0.407 155 V N 0.497 120.310 119.914 -0.167 0.000 2.732 155 V HA 0.806 4.926 4.120 -0.000 0.000 0.310 155 V C -0.488 175.394 176.094 -0.352 0.000 1.053 155 V CA -0.536 61.549 62.300 -0.358 0.000 0.957 155 V CB 1.913 33.244 31.823 -0.820 0.000 1.018 155 V HN 0.674 nan 8.190 nan 0.000 0.452 156 D N 0.805 121.083 120.400 -0.202 0.000 2.661 156 D HA 0.842 5.481 4.640 -0.000 0.000 0.228 156 D C -1.007 175.469 176.300 0.295 0.000 1.210 156 D CA 0.327 54.434 54.000 0.178 0.000 0.826 156 D CB 2.340 43.253 40.800 0.188 0.000 1.542 156 D HN 1.282 nan 8.370 nan 0.000 0.447 157 A N 2.383 125.470 122.820 0.445 0.000 2.566 157 A HA 0.376 4.696 4.320 -0.000 0.000 0.297 157 A C 0.585 178.275 177.584 0.177 0.000 1.059 157 A CA -0.679 51.585 52.037 0.379 0.000 0.691 157 A CB 0.773 20.108 19.000 0.560 0.000 1.282 157 A HN 0.638 nan 8.150 nan 0.000 0.401 158 I N 1.750 122.415 120.570 0.158 0.000 2.264 158 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 158 I C 2.019 178.122 176.117 -0.022 0.000 1.111 158 I CA 2.510 63.835 61.300 0.042 0.000 1.382 158 I CB 0.204 38.219 38.000 0.024 0.000 1.060 158 I HN 0.749 nan 8.210 nan 0.000 0.418 159 S N 0.168 115.912 115.700 0.073 0.000 2.603 159 S HA 0.164 4.634 4.470 -0.000 0.000 0.220 159 S C 1.159 175.688 174.600 -0.117 0.000 0.967 159 S CA -0.013 58.226 58.200 0.065 0.000 0.920 159 S CB -0.814 62.571 63.200 0.309 0.000 0.773 159 S HN 0.460 nan 8.310 nan 0.000 0.529 160 G N 0.601 109.122 108.800 -0.466 0.000 2.365 160 G HA2 0.138 4.098 3.960 -0.000 0.000 0.249 160 G HA3 0.138 4.098 3.960 -0.000 0.000 0.249 160 G C 0.376 174.663 174.900 -1.021 0.000 1.288 160 G CA -0.689 43.616 45.100 -1.326 0.000 0.887 160 G HN 0.504 nan 8.290 nan 0.000 0.524 161 W N 2.845 123.649 121.300 -0.826 0.000 2.421 161 W HA -0.118 4.542 4.660 -0.001 0.000 0.270 161 W C 1.570 177.962 176.519 -0.213 0.000 1.233 161 W CA 1.034 58.121 57.345 -0.430 0.000 1.226 161 W CB 0.076 29.287 29.460 -0.415 0.000 1.121 161 W HN 0.916 nan 8.180 nan 0.000 0.579 162 W N 0.608 121.958 121.300 0.083 0.000 2.611 162 W HA -0.031 4.629 4.660 0.000 0.000 0.251 162 W C 1.069 177.550 176.519 -0.063 0.000 1.265 162 W CA 0.855 58.227 57.345 0.046 0.000 1.295 162 W CB -1.526 28.003 29.460 0.114 0.000 1.129 162 W HN -0.240 nan 8.180 nan 0.000 0.630 163 N N 0.555 119.044 118.700 -0.351 0.000 2.230 163 N HA -0.041 4.699 4.740 -0.000 0.000 0.202 163 N C 1.622 176.958 175.510 -0.290 0.000 1.119 163 N CA 1.334 54.240 53.050 -0.240 0.000 0.851 163 N CB -0.226 38.103 38.487 -0.263 0.000 0.990 163 N HN 0.388 nan 8.380 nan 0.000 0.497 164 T N -2.739 111.536 114.554 -0.464 0.000 2.849 164 T HA -0.093 4.257 4.350 -0.000 0.000 0.270 164 T C 1.799 176.313 174.700 -0.309 0.000 1.066 164 T CA 1.390 63.178 62.100 -0.520 0.000 1.130 164 T CB -0.390 67.927 68.868 -0.918 0.000 0.864 164 T HN 0.153 nan 8.240 nan 0.000 0.481 165 G N 0.735 109.401 108.800 -0.223 0.000 3.042 165 G HA2 0.515 4.475 3.960 -0.000 0.000 0.212 165 G HA3 0.515 4.475 3.960 -0.000 0.000 0.212 165 G C 0.533 175.379 174.900 -0.088 0.000 1.166 165 G CA -0.019 45.002 45.100 -0.132 0.000 0.767 165 G HN 0.844 nan 8.290 nan 0.000 0.546 166 A N 0.362 123.128 122.820 -0.090 0.000 2.520 166 A HA 0.576 4.895 4.320 -0.000 0.000 0.245 166 A C 1.769 179.321 177.584 -0.053 0.000 1.072 166 A CA 0.540 52.544 52.037 -0.056 0.000 0.761 166 A CB 0.573 19.543 19.000 -0.050 0.000 1.004 166 A HN 0.688 nan 8.150 nan 0.000 0.499 167 A N 2.490 125.287 122.820 -0.037 0.000 1.898 167 A HA 0.264 4.584 4.320 -0.000 0.000 0.216 167 A C 1.398 178.964 177.584 -0.031 0.000 1.181 167 A CA 2.047 54.065 52.037 -0.033 0.000 0.620 167 A CB -0.567 18.417 19.000 -0.026 0.000 0.819 167 A HN 1.665 nan 8.150 nan 0.000 0.442 168 T N -3.882 110.656 114.554 -0.027 0.000 2.841 168 T HA 0.551 4.901 4.350 -0.000 0.000 0.296 168 T C -0.825 173.862 174.700 -0.022 0.000 1.166 168 T CA -0.990 61.096 62.100 -0.024 0.000 1.007 168 T CB 1.528 70.385 68.868 -0.018 0.000 1.253 168 T HN 0.090 nan 8.240 nan 0.000 0.511 169 E N 0.106 120.295 120.200 -0.019 0.000 2.391 169 E HA 0.466 4.816 4.350 -0.000 0.000 0.255 169 E C 1.598 178.195 176.600 -0.005 0.000 1.187 169 E CA 0.044 56.436 56.400 -0.013 0.000 0.941 169 E CB 0.572 30.263 29.700 -0.015 0.000 1.010 169 E HN 0.852 nan 8.360 nan 0.000 0.458 170 A N 1.533 124.355 122.820 0.004 0.000 1.986 170 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 170 A C 1.293 178.876 177.584 -0.002 0.000 1.171 170 A CA 2.142 54.183 52.037 0.007 0.000 0.640 170 A CB -0.474 18.537 19.000 0.018 0.000 0.811 170 A HN 0.598 nan 8.150 nan 0.000 0.451 171 D N -2.339 118.058 120.400 -0.006 0.000 2.340 171 D HA 0.264 4.904 4.640 -0.000 0.000 0.220 171 D C 1.174 177.467 176.300 -0.012 0.000 1.039 171 D CA 1.002 54.996 54.000 -0.010 0.000 0.866 171 D CB -0.515 40.277 40.800 -0.013 0.000 0.913 171 D HN 0.821 nan 8.370 nan 0.000 0.523 172 G N 0.342 109.135 108.800 -0.011 0.000 2.195 172 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.246 172 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.246 172 G C 0.452 175.344 174.900 -0.014 0.000 0.984 172 G CA 0.394 45.487 45.100 -0.013 0.000 0.633 172 G HN 0.801 nan 8.290 nan 0.000 0.525 173 S N 0.691 116.382 115.700 -0.015 0.000 2.600 173 S HA 0.633 5.103 4.470 -0.000 0.000 0.265 173 S C -2.077 172.512 174.600 -0.018 0.000 1.325 173 S CA -0.871 57.319 58.200 -0.016 0.000 1.002 173 S CB 1.573 64.763 63.200 -0.017 0.000 0.921 173 S HN 0.184 nan 8.310 nan 0.000 0.554 174 P HA 0.194 nan 4.420 nan 0.000 0.271 174 P C -0.548 176.739 177.300 -0.022 0.000 1.218 174 P CA -0.394 62.694 63.100 -0.019 0.000 0.780 174 P CB 0.259 31.951 31.700 -0.015 0.000 0.901 175 N N 2.537 121.219 118.700 -0.029 0.000 2.431 175 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 175 N C 0.389 175.884 175.510 -0.025 0.000 1.184 175 N CA 0.322 53.349 53.050 -0.038 0.000 0.943 175 N CB 0.006 38.459 38.487 -0.058 0.000 1.080 175 N HN 0.247 nan 8.380 nan 0.000 0.477 176 R N 2.503 122.998 120.500 -0.007 0.000 2.468 176 R HA 0.212 4.552 4.340 -0.000 0.000 0.280 176 R C 1.029 177.377 176.300 0.081 0.000 0.963 176 R CA 0.116 56.236 56.100 0.032 0.000 1.083 176 R CB 0.004 30.326 30.300 0.036 0.000 1.200 176 R HN 0.828 nan 8.270 nan 0.000 0.541 177 G N 0.884 109.691 108.800 0.011 0.000 2.601 177 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.252 177 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.252 177 G C -0.187 174.769 174.900 0.093 0.000 1.294 177 G CA 0.066 45.148 45.100 -0.029 0.000 0.912 177 G HN 0.413 nan 8.290 nan 0.000 0.574 178 Y N -0.546 119.750 120.300 -0.007 0.000 4.177 178 Y HA -0.210 4.339 4.550 -0.000 0.000 0.227 178 Y C 1.486 177.408 175.900 0.037 0.000 1.154 178 Y CA 1.588 59.701 58.100 0.022 0.000 1.887 178 Y CB -1.580 36.878 38.460 -0.003 0.000 1.594 178 Y HN 0.667 nan 8.280 nan 0.000 0.668 179 K N -0.082 120.393 120.400 0.126 0.000 2.138 179 K HA 0.526 4.846 4.320 -0.000 0.000 0.251 179 K C 0.193 176.964 176.600 0.286 0.000 1.015 179 K CA -0.591 55.775 56.287 0.132 0.000 0.917 179 K CB 1.130 33.611 32.500 -0.032 0.000 1.021 179 K HN -0.091 nan 8.250 nan 0.000 0.485 180 V N 3.034 123.082 119.914 0.223 0.000 2.432 180 V HA 0.161 4.281 4.120 -0.000 0.000 0.275 180 V C 0.414 176.558 176.094 0.084 0.000 1.043 180 V CA -0.509 61.873 62.300 0.138 0.000 0.925 180 V CB 0.850 32.737 31.823 0.106 0.000 0.985 180 V HN 0.632 nan 8.190 nan 0.000 0.466 181 R N 3.246 123.608 120.500 -0.230 0.000 2.643 181 R HA 0.189 4.529 4.340 -0.000 0.000 0.270 181 R C 0.123 176.216 176.300 -0.345 0.000 1.061 181 R CA -0.553 55.109 56.100 -0.730 0.000 1.107 181 R CB 0.242 30.056 30.300 -0.810 0.000 0.999 181 R HN 0.668 nan 8.270 nan 0.000 0.460 182 H N 3.744 122.667 119.070 -0.245 0.000 3.001 182 H HA -0.057 4.499 4.556 0.000 0.000 0.334 182 H C 0.578 175.891 175.328 -0.025 0.000 1.034 182 H CA 0.663 56.702 56.048 -0.014 0.000 1.420 182 H CB 0.549 30.329 29.762 0.030 0.000 1.405 182 H HN 0.525 nan 8.280 nan 0.000 0.593 183 K N 1.233 121.754 120.400 0.201 0.000 3.274 183 K HA -0.168 4.152 4.320 -0.000 0.000 0.300 183 K C 0.981 177.611 176.600 0.050 0.000 1.230 183 K CA 1.029 57.392 56.287 0.127 0.000 0.884 183 K CB -1.682 30.870 32.500 0.086 0.000 1.242 183 K HN 0.866 nan 8.250 nan 0.000 0.467 184 G N -0.323 108.491 108.800 0.024 0.000 3.651 184 G HA2 0.321 4.281 3.960 -0.000 0.000 0.279 184 G HA3 0.321 4.281 3.960 -0.000 0.000 0.279 184 G C 1.074 175.973 174.900 -0.002 0.000 1.024 184 G CA 0.376 45.461 45.100 -0.024 0.000 0.813 184 G HN 0.295 nan 8.290 nan 0.000 0.518 185 G N -0.324 108.512 108.800 0.059 0.000 2.777 185 G HA2 0.079 4.039 3.960 -0.000 0.000 0.211 185 G HA3 0.079 4.039 3.960 -0.000 0.000 0.211 185 G C 0.094 175.044 174.900 0.083 0.000 1.149 185 G CA -0.143 44.945 45.100 -0.019 0.000 0.785 185 G HN 0.386 nan 8.290 nan 0.000 0.536 186 Y N 1.801 122.095 120.300 -0.010 0.000 2.491 186 Y HA 0.500 5.050 4.550 0.000 0.000 0.334 186 Y C -1.153 174.574 175.900 -0.289 0.000 0.969 186 Y CA -1.857 56.172 58.100 -0.118 0.000 1.241 186 Y CB 0.375 38.695 38.460 -0.234 0.000 1.105 186 Y HN 0.071 nan 8.280 nan 0.000 0.503 187 F N 5.993 125.944 119.950 0.002 0.000 3.065 187 F HA 0.461 4.988 4.527 0.000 0.000 0.383 187 F C -2.976 172.772 175.800 -0.087 0.000 1.259 187 F CA -3.689 54.236 58.000 -0.126 0.000 1.217 187 F CB -1.253 37.559 39.000 -0.314 0.000 2.042 187 F HN 0.189 nan 8.300 nan 0.000 0.641 188 P HA 0.198 nan 4.420 nan 0.000 0.268 188 P C 0.306 177.633 177.300 0.046 0.000 1.208 188 P CA -0.085 63.067 63.100 0.087 0.000 0.777 188 P CB 1.585 33.318 31.700 0.055 0.000 0.875 189 V N -0.838 119.094 119.914 0.030 0.000 3.376 189 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 189 V C 0.634 176.724 176.094 -0.006 0.000 1.100 189 V CA -0.770 61.529 62.300 -0.002 0.000 1.126 189 V CB -0.842 30.974 31.823 -0.012 0.000 1.085 189 V HN 0.784 nan 8.190 nan 0.000 0.480 190 A N 2.794 125.597 122.820 -0.030 0.000 2.507 190 A HA 0.464 4.784 4.320 -0.000 0.000 0.235 190 A C -0.796 176.714 177.584 -0.123 0.000 1.070 190 A CA -0.323 51.674 52.037 -0.066 0.000 0.768 190 A CB -0.660 18.297 19.000 -0.071 0.000 1.011 190 A HN 0.948 nan 8.150 nan 0.000 0.502 191 P HA 0.015 nan 4.420 nan 0.000 0.249 191 P C 0.930 178.164 177.300 -0.110 0.000 1.229 191 P CA 0.089 63.025 63.100 -0.274 0.000 0.788 191 P CB 0.124 31.493 31.700 -0.553 0.000 1.072 192 N N 0.556 119.274 118.700 0.030 0.000 2.061 192 N HA -0.131 4.609 4.740 -0.000 0.000 0.193 192 N C 0.406 175.946 175.510 0.049 0.000 1.030 192 N CA 1.255 54.384 53.050 0.132 0.000 0.856 192 N CB -0.512 38.052 38.487 0.129 0.000 1.023 192 N HN 0.149 nan 8.380 nan 0.000 0.424 193 D N 1.323 121.737 120.400 0.024 0.000 2.352 193 D HA 0.056 4.696 4.640 -0.000 0.000 0.245 193 D C 0.277 176.609 176.300 0.054 0.000 1.224 193 D CA 0.175 54.229 54.000 0.090 0.000 0.879 193 D CB 0.456 41.312 40.800 0.093 0.000 1.057 193 D HN 0.178 nan 8.370 nan 0.000 0.491 194 Q N 2.775 122.576 119.800 0.002 0.000 2.319 194 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 194 Q C -0.060 175.628 176.000 -0.519 0.000 0.896 194 Q CA 0.199 55.806 55.803 -0.326 0.000 0.942 194 Q CB 0.532 28.975 28.738 -0.491 0.000 1.083 194 Q HN 0.622 nan 8.270 nan 0.000 0.510 195 Y N -1.636 118.716 120.300 0.087 0.000 2.682 195 Y HA 0.121 4.671 4.550 -0.000 0.000 0.251 195 Y C 1.545 177.465 175.900 0.034 0.000 1.172 195 Y CA -0.316 57.815 58.100 0.052 0.000 1.186 195 Y CB 0.515 38.992 38.460 0.028 0.000 1.216 195 Y HN -0.132 nan 8.280 nan 0.000 0.540 196 V N -0.071 119.909 119.914 0.110 0.000 2.261 196 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 196 V C 1.738 177.863 176.094 0.052 0.000 1.047 196 V CA 2.306 64.647 62.300 0.070 0.000 1.015 196 V CB -0.182 31.657 31.823 0.026 0.000 0.642 196 V HN 0.342 nan 8.190 nan 0.000 0.446 197 D N -0.279 120.141 120.400 0.033 0.000 2.117 197 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 197 D C 1.922 178.249 176.300 0.046 0.000 0.987 197 D CA 1.018 55.034 54.000 0.026 0.000 0.829 197 D CB -0.310 40.494 40.800 0.007 0.000 0.961 197 D HN 0.309 nan 8.370 nan 0.000 0.460 198 L N 1.051 122.318 121.223 0.073 0.000 2.046 198 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 198 L C 2.057 178.979 176.870 0.087 0.000 1.077 198 L CA 1.652 56.546 54.840 0.090 0.000 0.747 198 L CB -0.268 41.877 42.059 0.143 0.000 0.896 198 L HN -0.122 nan 8.230 nan 0.000 0.432 199 R N -0.605 119.954 120.500 0.099 0.000 2.148 199 R HA -0.125 4.215 4.340 -0.000 0.000 0.227 199 R C 1.792 178.127 176.300 0.059 0.000 1.103 199 R CA 1.172 57.322 56.100 0.084 0.000 0.983 199 R CB -0.359 29.985 30.300 0.074 0.000 0.874 199 R HN 0.427 nan 8.270 nan 0.000 0.451 200 D N 0.676 121.104 120.400 0.048 0.000 2.117 200 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 200 D C 1.636 177.953 176.300 0.029 0.000 0.982 200 D CA 1.253 55.273 54.000 0.033 0.000 0.828 200 D CB 0.059 40.874 40.800 0.024 0.000 0.967 200 D HN 0.141 nan 8.370 nan 0.000 0.464 201 K N -0.182 120.238 120.400 0.032 0.000 2.057 201 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 201 K C 2.237 178.850 176.600 0.022 0.000 1.049 201 K CA 0.872 57.175 56.287 0.028 0.000 0.931 201 K CB -0.071 32.452 32.500 0.038 0.000 0.714 201 K HN 0.147 nan 8.250 nan 0.000 0.440 202 M N 0.575 120.190 119.600 0.025 0.000 2.117 202 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 202 M C 2.116 178.409 176.300 -0.012 0.000 1.065 202 M CA 1.563 56.861 55.300 -0.003 0.000 1.114 202 M CB -0.332 32.268 32.600 0.000 0.000 1.361 202 M HN 0.100 nan 8.290 nan 0.000 0.408 203 L N -0.672 120.562 121.223 0.019 0.000 2.046 203 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 203 L C 2.493 179.371 176.870 0.014 0.000 1.077 203 L CA 1.323 56.180 54.840 0.027 0.000 0.747 203 L CB -0.879 41.206 42.059 0.043 0.000 0.896 203 L HN 0.331 nan 8.230 nan 0.000 0.432 204 T N -0.875 113.684 114.554 0.008 0.000 2.777 204 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 204 T C 1.704 176.395 174.700 -0.015 0.000 1.040 204 T CA 1.209 63.310 62.100 0.002 0.000 1.141 204 T CB -0.219 68.650 68.868 0.001 0.000 0.868 204 T HN 0.263 nan 8.240 nan 0.000 0.444 205 N N 1.291 119.970 118.700 -0.036 0.000 2.166 205 N HA 0.021 4.761 4.740 -0.000 0.000 0.186 205 N C 1.813 177.289 175.510 -0.058 0.000 1.019 205 N CA 0.800 53.803 53.050 -0.079 0.000 0.856 205 N CB -0.498 37.931 38.487 -0.096 0.000 0.993 205 N HN 0.350 nan 8.380 nan 0.000 0.426 206 L N 0.321 121.503 121.223 -0.069 0.000 2.056 206 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 206 L C 2.123 179.068 176.870 0.125 0.000 1.078 206 L CA 0.731 55.513 54.840 -0.096 0.000 0.749 206 L CB -0.327 41.550 42.059 -0.303 0.000 0.901 206 L HN 0.082 nan 8.230 nan 0.000 0.433 207 I N 0.212 120.829 120.570 0.078 0.000 2.163 207 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 207 I C 1.891 178.052 176.117 0.073 0.000 1.085 207 I CA 1.230 62.585 61.300 0.092 0.000 1.347 207 I CB -0.389 37.644 38.000 0.054 0.000 1.044 207 I HN 0.346 nan 8.210 nan 0.000 0.408 208 N N 0.240 118.962 118.700 0.037 0.000 2.573 208 N HA -0.070 4.670 4.740 -0.000 0.000 0.187 208 N C 1.261 176.783 175.510 0.020 0.000 1.107 208 N CA 0.720 53.776 53.050 0.011 0.000 0.918 208 N CB -0.063 38.409 38.487 -0.025 0.000 0.966 208 N HN 0.189 nan 8.380 nan 0.000 0.448 209 S N -0.935 114.816 115.700 0.084 0.000 2.582 209 S HA 0.313 4.783 4.470 -0.000 0.000 0.234 209 S C 1.260 175.906 174.600 0.076 0.000 0.961 209 S CA 0.167 58.433 58.200 0.110 0.000 0.953 209 S CB 0.480 63.816 63.200 0.226 0.000 0.800 209 S HN 0.505 nan 8.310 nan 0.000 0.471 210 G N 1.259 110.093 108.800 0.055 0.000 2.159 210 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.256 210 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.256 210 G C -0.021 174.830 174.900 -0.081 0.000 0.977 210 G CA -0.418 44.659 45.100 -0.039 0.000 0.652 210 G HN 0.452 nan 8.290 nan 0.000 0.531 211 F N 0.370 120.293 119.950 -0.046 0.000 2.471 211 F HA 0.526 5.052 4.527 -0.000 0.000 0.353 211 F C 1.313 177.116 175.800 0.005 0.000 1.113 211 F CA -0.256 57.722 58.000 -0.036 0.000 1.262 211 F CB 0.650 39.621 39.000 -0.048 0.000 1.146 211 F HN -0.022 nan 8.300 nan 0.000 0.578 212 I N 5.009 125.691 120.570 0.186 0.000 2.297 212 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 212 I C -0.554 175.675 176.117 0.186 0.000 1.033 212 I CA -0.364 61.011 61.300 0.124 0.000 1.253 212 I CB 0.432 38.448 38.000 0.027 0.000 1.396 212 I HN 0.215 nan 8.210 nan 0.000 0.476 213 L N 6.862 128.180 121.223 0.158 0.000 2.357 213 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 213 L C 0.959 177.896 176.870 0.112 0.000 1.080 213 L CA 0.404 55.343 54.840 0.164 0.000 0.803 213 L CB 1.399 43.539 42.059 0.135 0.000 1.174 213 L HN 0.703 nan 8.230 nan 0.000 0.443 214 E N 1.315 121.583 120.200 0.113 0.000 2.378 214 E HA 0.108 4.458 4.350 -0.000 0.000 0.200 214 E C -0.417 176.230 176.600 0.078 0.000 0.882 214 E CA 0.087 56.535 56.400 0.079 0.000 1.061 214 E CB 1.136 30.875 29.700 0.065 0.000 1.049 214 E HN 0.588 nan 8.360 nan 0.000 0.494 215 K N -0.554 119.905 120.400 0.098 0.000 2.578 215 K HA 0.654 4.974 4.320 -0.000 0.000 0.287 215 K C -0.959 175.708 176.600 0.112 0.000 1.010 215 K CA -1.078 55.272 56.287 0.105 0.000 0.889 215 K CB 1.936 34.512 32.500 0.127 0.000 1.514 215 K HN 0.064 nan 8.250 nan 0.000 0.424 216 G N 0.878 109.734 108.800 0.094 0.000 2.682 216 G HA2 0.699 4.659 3.960 -0.000 0.000 0.300 216 G HA3 0.699 4.659 3.960 -0.000 0.000 0.300 216 G C -1.790 173.144 174.900 0.056 0.000 1.391 216 G CA -0.594 44.529 45.100 0.039 0.000 0.990 216 G HN 0.985 nan 8.290 nan 0.000 0.501 217 H N -1.020 118.037 119.070 -0.021 0.000 3.014 217 H HA 0.540 5.096 4.556 -0.000 0.000 0.337 217 H C -1.128 174.195 175.328 -0.009 0.000 1.320 217 H CA -1.051 54.972 56.048 -0.041 0.000 1.128 217 H CB 1.004 30.720 29.762 -0.078 0.000 1.862 217 H HN 0.502 nan 8.280 nan 0.000 0.536 218 H N 1.168 120.298 119.070 0.100 0.000 2.815 218 H HA 0.189 4.745 4.556 -0.000 0.000 0.350 218 H C -0.248 175.201 175.328 0.201 0.000 1.080 218 H CA 0.416 56.499 56.048 0.057 0.000 1.433 218 H CB 0.954 30.786 29.762 0.117 0.000 1.432 218 H HN 0.681 nan 8.280 nan 0.000 0.592 219 E N 2.402 122.732 120.200 0.217 0.000 2.446 219 E HA 0.094 4.444 4.350 -0.000 0.000 0.251 219 E C 1.512 178.337 176.600 0.375 0.000 1.087 219 E CA -0.762 55.825 56.400 0.312 0.000 0.937 219 E CB 1.651 31.352 29.700 0.001 0.000 1.254 219 E HN 0.405 nan 8.360 nan 0.000 0.479 220 V N 0.452 120.539 119.914 0.289 0.000 2.392 220 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 220 V C 1.313 177.542 176.094 0.226 0.000 1.059 220 V CA 1.933 64.365 62.300 0.220 0.000 1.051 220 V CB -0.757 31.140 31.823 0.122 0.000 0.658 220 V HN 0.637 nan 8.190 nan 0.000 0.455 221 G N -0.105 108.824 108.800 0.214 0.000 2.441 221 G HA2 0.288 4.248 3.960 -0.000 0.000 0.243 221 G HA3 0.288 4.248 3.960 -0.000 0.000 0.243 221 G C 0.112 175.267 174.900 0.425 0.000 1.281 221 G CA 0.312 45.624 45.100 0.354 0.000 0.854 221 G HN 0.319 nan 8.290 nan 0.000 0.560 222 S N 0.420 116.385 115.700 0.442 0.000 2.584 222 S HA 0.453 4.923 4.470 -0.000 0.000 0.270 222 S C 1.484 176.389 174.600 0.509 0.000 1.346 222 S CA 0.990 59.398 58.200 0.346 0.000 1.018 222 S CB 0.326 63.584 63.200 0.097 0.000 0.899 222 S HN 2.250 nan 8.310 nan 0.000 0.542 223 G N 1.322 110.333 108.800 0.351 0.000 2.182 223 G HA2 0.092 4.052 3.960 -0.000 0.000 0.248 223 G HA3 0.092 4.052 3.960 -0.000 0.000 0.248 223 G C 1.027 176.215 174.900 0.481 0.000 1.042 223 G CA 0.456 45.839 45.100 0.472 0.000 0.775 223 G HN 2.138 nan 8.290 nan 0.000 0.501 224 G N -1.443 107.483 108.800 0.210 0.000 2.165 224 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.226 224 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.226 224 G C 0.190 174.641 174.900 -0.750 0.000 1.035 224 G CA 0.993 45.773 45.100 -0.532 0.000 0.744 224 G HN 1.331 nan 8.290 nan 0.000 0.501 225 Q N -0.212 119.184 119.800 -0.673 0.000 2.364 225 Q HA 0.583 4.923 4.340 -0.000 0.000 0.267 225 Q C 0.391 175.778 176.000 -1.023 0.000 0.999 225 Q CA 0.755 55.908 55.803 -1.083 0.000 0.886 225 Q CB 0.705 28.835 28.738 -1.014 0.000 1.243 225 Q HN 1.236 nan 8.270 nan 0.000 0.415 226 A N 3.396 125.545 122.820 -1.118 0.000 2.569 226 A HA 0.673 4.993 4.320 -0.000 0.000 0.290 226 A C -1.591 175.341 177.584 -1.087 0.000 1.136 226 A CA -0.610 50.772 52.037 -1.092 0.000 0.710 226 A CB 2.104 20.358 19.000 -1.242 0.000 1.303 226 A HN 0.775 nan 8.150 nan 0.000 0.413 227 E N 0.293 120.027 120.200 -0.775 0.000 2.335 227 E HA 0.630 4.980 4.350 -0.000 0.000 0.280 227 E C -2.050 174.397 176.600 -0.254 0.000 0.918 227 E CA -0.419 55.699 56.400 -0.471 0.000 0.765 227 E CB 1.632 31.060 29.700 -0.454 0.000 1.218 227 E HN 0.580 nan 8.360 nan 0.000 0.425 228 I N 3.128 123.780 120.570 0.137 0.000 2.545 228 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 228 I C -0.731 175.498 176.117 0.187 0.000 1.040 228 I CA -0.753 60.677 61.300 0.217 0.000 1.068 228 I CB 2.175 40.412 38.000 0.396 0.000 1.251 228 I HN 0.462 nan 8.210 nan 0.000 0.424 229 N N 5.181 123.952 118.700 0.119 0.000 2.372 229 N HA 0.570 5.310 4.740 -0.000 0.000 0.291 229 N C -1.599 173.968 175.510 0.097 0.000 1.024 229 N CA -0.697 52.357 53.050 0.007 0.000 0.873 229 N CB 1.768 40.262 38.487 0.011 0.000 1.206 229 N HN 0.428 nan 8.380 nan 0.000 0.486 230 Y N -0.993 119.346 120.300 0.065 0.000 2.570 230 Y HA 0.383 4.933 4.550 -0.000 0.000 0.345 230 Y C 0.015 175.970 175.900 0.092 0.000 1.014 230 Y CA -1.409 56.764 58.100 0.121 0.000 1.063 230 Y CB 0.650 39.269 38.460 0.265 0.000 1.272 230 Y HN 0.381 nan 8.280 nan 0.000 0.477 231 Q N 2.352 122.269 119.800 0.194 0.000 2.304 231 Q HA 0.143 4.483 4.340 -0.000 0.000 0.301 231 Q C -0.439 175.551 176.000 -0.016 0.000 1.063 231 Q CA -0.311 55.481 55.803 -0.018 0.000 0.947 231 Q CB 0.270 28.912 28.738 -0.160 0.000 1.201 231 Q HN 0.642 nan 8.270 nan 0.000 0.389 232 F N 2.158 122.111 119.950 0.004 0.000 2.587 232 F HA 0.336 4.863 4.527 -0.000 0.000 0.327 232 F C 0.142 176.024 175.800 0.137 0.000 1.232 232 F CA -0.507 57.522 58.000 0.048 0.000 1.353 232 F CB 0.345 39.336 39.000 -0.016 0.000 1.156 232 F HN 0.508 nan 8.300 nan 0.000 0.599 233 N N -1.405 117.560 118.700 0.441 0.000 3.106 233 N HA 0.249 4.989 4.740 -0.000 0.000 0.253 233 N C -1.632 174.221 175.510 0.571 0.000 1.506 233 N CA -0.164 53.146 53.050 0.434 0.000 0.876 233 N CB 1.944 40.603 38.487 0.287 0.000 1.452 233 N HN 0.872 nan 8.380 nan 0.000 0.542 234 S N 0.146 116.080 115.700 0.390 0.000 2.579 234 S HA 0.169 4.639 4.470 -0.000 0.000 0.275 234 S C 1.868 176.574 174.600 0.177 0.000 1.345 234 S CA -0.484 57.796 58.200 0.133 0.000 1.031 234 S CB 0.659 63.825 63.200 -0.056 0.000 0.892 234 S HN 0.605 nan 8.310 nan 0.000 0.529 235 L N 1.120 122.441 121.223 0.163 0.000 1.987 235 L HA -0.224 4.116 4.340 -0.000 0.000 0.230 235 L C 2.480 179.416 176.870 0.110 0.000 1.089 235 L CA 2.235 57.133 54.840 0.097 0.000 0.802 235 L CB -0.539 41.539 42.059 0.032 0.000 0.905 235 L HN 0.825 nan 8.230 nan 0.000 0.441 236 L N -0.833 120.415 121.223 0.042 0.000 2.017 236 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 236 L C 2.566 179.528 176.870 0.152 0.000 1.073 236 L CA 1.873 56.764 54.840 0.085 0.000 0.745 236 L CB -0.972 41.107 42.059 0.034 0.000 0.894 236 L HN 0.366 nan 8.230 nan 0.000 0.432 237 H N -0.015 119.136 119.070 0.134 0.000 2.352 237 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 237 H C 2.217 177.622 175.328 0.129 0.000 1.097 237 H CA 1.391 57.501 56.048 0.103 0.000 1.311 237 H CB -0.869 28.943 29.762 0.084 0.000 1.377 237 H HN 0.527 nan 8.280 nan 0.000 0.504 238 A N 0.916 123.939 122.820 0.338 0.000 1.933 238 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 238 A C 2.667 180.477 177.584 0.377 0.000 1.175 238 A CA 1.823 54.103 52.037 0.406 0.000 0.628 238 A CB -0.751 18.526 19.000 0.462 0.000 0.814 238 A HN 0.453 nan 8.150 nan 0.000 0.444 239 A N -0.416 122.502 122.820 0.164 0.000 1.929 239 A HA -0.098 4.221 4.320 -0.000 0.000 0.216 239 A C 1.804 179.145 177.584 -0.405 0.000 1.176 239 A CA 1.577 53.381 52.037 -0.389 0.000 0.628 239 A CB -0.425 18.110 19.000 -0.776 0.000 0.816 239 A HN 0.431 nan 8.150 nan 0.000 0.444 240 D N 0.398 120.759 120.400 -0.065 0.000 2.117 240 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 240 D C 1.247 177.561 176.300 0.024 0.000 0.987 240 D CA 1.373 55.406 54.000 0.055 0.000 0.829 240 D CB -0.325 40.554 40.800 0.133 0.000 0.961 240 D HN 0.339 nan 8.370 nan 0.000 0.460 241 D N 0.137 120.565 120.400 0.046 0.000 2.123 241 D HA -0.160 4.480 4.640 -0.000 0.000 0.196 241 D C 1.976 178.395 176.300 0.198 0.000 0.992 241 D CA 0.667 54.695 54.000 0.046 0.000 0.833 241 D CB -0.285 40.569 40.800 0.089 0.000 0.954 241 D HN 0.129 nan 8.370 nan 0.000 0.455 242 M N 0.816 120.531 119.600 0.191 0.000 2.080 242 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 242 M C 1.784 178.149 176.300 0.108 0.000 1.068 242 M CA 1.556 56.968 55.300 0.188 0.000 1.109 242 M CB -0.433 32.200 32.600 0.054 0.000 1.342 242 M HN -0.159 nan 8.290 nan 0.000 0.405 243 Q N -0.312 119.481 119.800 -0.012 0.000 2.084 243 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 243 Q C 2.222 178.257 176.000 0.058 0.000 0.978 243 Q CA 1.622 57.413 55.803 -0.020 0.000 0.844 243 Q CB -1.058 27.667 28.738 -0.022 0.000 0.898 243 Q HN 0.547 nan 8.270 nan 0.000 0.426 244 L N -0.047 121.255 121.223 0.131 0.000 2.093 244 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 244 L C 2.296 179.324 176.870 0.263 0.000 1.085 244 L CA 1.564 56.536 54.840 0.219 0.000 0.755 244 L CB -0.888 41.322 42.059 0.253 0.000 0.904 244 L HN 0.198 nan 8.230 nan 0.000 0.435 245 Y N 0.536 120.892 120.300 0.093 0.000 2.128 245 Y HA -0.311 4.238 4.550 -0.000 0.000 0.284 245 Y C 2.388 178.223 175.900 -0.109 0.000 1.154 245 Y CA 2.300 60.300 58.100 -0.166 0.000 1.149 245 Y CB -0.187 38.164 38.460 -0.181 0.000 0.976 245 Y HN 0.165 nan 8.280 nan 0.000 0.505 246 K N -0.991 119.347 120.400 -0.103 0.000 2.097 246 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 246 K C 1.993 178.476 176.600 -0.194 0.000 1.049 246 K CA 1.691 57.765 56.287 -0.356 0.000 0.933 246 K CB -0.598 31.598 32.500 -0.506 0.000 0.717 246 K HN 0.468 nan 8.250 nan 0.000 0.442 247 Y N 1.581 121.770 120.300 -0.186 0.000 2.181 247 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 247 Y C 1.801 177.627 175.900 -0.122 0.000 1.146 247 Y CA 1.334 59.344 58.100 -0.149 0.000 1.164 247 Y CB -0.115 38.293 38.460 -0.087 0.000 0.982 247 Y HN -0.066 nan 8.280 nan 0.000 0.515 248 I N -0.550 119.963 120.570 -0.094 0.000 2.252 248 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 248 I C 2.021 178.010 176.117 -0.213 0.000 1.102 248 I CA 0.601 61.883 61.300 -0.030 0.000 1.385 248 I CB -0.323 37.676 38.000 -0.001 0.000 1.064 248 I HN 0.236 nan 8.210 nan 0.000 0.414 249 I N 1.116 121.438 120.570 -0.414 0.000 2.142 249 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 249 I C 2.442 178.319 176.117 -0.400 0.000 1.078 249 I CA 1.738 62.722 61.300 -0.526 0.000 1.343 249 I CB -1.235 36.224 38.000 -0.902 0.000 1.046 249 I HN 0.223 nan 8.210 nan 0.000 0.405 250 K N 0.488 120.692 120.400 -0.327 0.000 2.063 250 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 250 K C 1.812 178.231 176.600 -0.301 0.000 1.048 250 K CA 1.362 57.505 56.287 -0.241 0.000 0.928 250 K CB -0.119 32.270 32.500 -0.185 0.000 0.713 250 K HN 0.385 nan 8.250 nan 0.000 0.442 251 N N -0.199 118.139 118.700 -0.603 0.000 2.376 251 N HA -0.040 4.700 4.740 -0.000 0.000 0.177 251 N C 1.534 176.639 175.510 -0.674 0.000 1.024 251 N CA 0.919 53.437 53.050 -0.887 0.000 0.893 251 N CB 0.158 37.533 38.487 -1.853 0.000 0.980 251 N HN 0.140 nan 8.380 nan 0.000 0.439 252 T N 1.416 115.764 114.554 -0.343 0.000 2.708 252 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 252 T C 2.102 176.790 174.700 -0.019 0.000 1.037 252 T CA 1.331 63.439 62.100 0.013 0.000 1.146 252 T CB -0.219 68.693 68.868 0.073 0.000 0.865 252 T HN 0.279 nan 8.240 nan 0.000 0.435 253 A N 1.424 124.210 122.820 -0.057 0.000 1.865 253 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 253 A C 2.179 179.782 177.584 0.033 0.000 1.191 253 A CA 1.469 53.504 52.037 -0.003 0.000 0.623 253 A CB -1.185 17.805 19.000 -0.016 0.000 0.826 253 A HN 0.718 nan 8.150 nan 0.000 0.444 254 W N 0.649 121.854 121.300 -0.159 0.000 2.335 254 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 254 W C 2.107 178.568 176.519 -0.098 0.000 1.213 254 W CA 2.083 59.348 57.345 -0.133 0.000 1.274 254 W CB -0.357 28.983 29.460 -0.200 0.000 1.148 254 W HN 0.510 nan 8.180 nan 0.000 0.498 255 Q N -0.671 119.178 119.800 0.081 0.000 2.364 255 Q HA -0.126 4.214 4.340 -0.000 0.000 0.207 255 Q C 0.860 176.859 176.000 -0.003 0.000 0.970 255 Q CA 0.814 56.647 55.803 0.050 0.000 0.888 255 Q CB -0.210 28.587 28.738 0.097 0.000 0.951 255 Q HN 0.289 nan 8.270 nan 0.000 0.469 256 N N -0.969 117.719 118.700 -0.020 0.000 2.275 256 N HA 0.104 4.844 4.740 -0.000 0.000 0.236 256 N C 0.315 175.793 175.510 -0.052 0.000 1.154 256 N CA 0.646 53.685 53.050 -0.018 0.000 0.866 256 N CB 1.643 40.141 38.487 0.018 0.000 1.093 256 N HN 0.290 nan 8.380 nan 0.000 0.515 257 G N 0.806 109.526 108.800 -0.133 0.000 2.157 257 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 257 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 257 G C 0.254 175.066 174.900 -0.146 0.000 0.979 257 G CA 0.271 45.270 45.100 -0.168 0.000 0.650 257 G HN 0.161 nan 8.290 nan 0.000 0.529 258 K N -0.461 119.875 120.400 -0.106 0.000 2.303 258 K HA 0.843 5.163 4.320 -0.000 0.000 0.233 258 K C -0.374 176.214 176.600 -0.019 0.000 1.046 258 K CA -0.193 56.086 56.287 -0.014 0.000 0.895 258 K CB 1.398 33.943 32.500 0.075 0.000 1.220 258 K HN 0.229 nan 8.250 nan 0.000 0.470 259 T N -0.132 114.483 114.554 0.101 0.000 2.991 259 T HA 0.426 4.776 4.350 -0.000 0.000 0.303 259 T C -1.442 173.364 174.700 0.176 0.000 1.015 259 T CA -0.557 61.665 62.100 0.202 0.000 1.007 259 T CB 0.909 69.927 68.868 0.249 0.000 1.034 259 T HN 0.119 nan 8.240 nan 0.000 0.446 260 V N 4.130 124.116 119.914 0.120 0.000 2.547 260 V HA 0.755 4.875 4.120 -0.000 0.000 0.299 260 V C 0.482 176.596 176.094 0.033 0.000 1.040 260 V CA -0.529 61.765 62.300 -0.011 0.000 0.913 260 V CB 1.935 33.658 31.823 -0.166 0.000 0.992 260 V HN 0.984 nan 8.190 nan 0.000 0.449 261 T N 3.510 118.043 114.554 -0.035 0.000 2.861 261 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 261 T C -0.193 174.483 174.700 -0.039 0.000 1.003 261 T CA -0.254 61.883 62.100 0.062 0.000 0.977 261 T CB 0.727 69.695 68.868 0.167 0.000 0.996 261 T HN 0.382 nan 8.240 nan 0.000 0.448 262 F N 3.653 123.662 119.950 0.098 0.000 2.641 262 F HA 0.340 4.867 4.527 -0.000 0.000 0.302 262 F C 1.293 177.158 175.800 0.108 0.000 1.098 262 F CA -0.686 57.387 58.000 0.123 0.000 1.318 262 F CB 0.120 39.179 39.000 0.099 0.000 1.035 262 F HN 0.512 nan 8.300 nan 0.000 0.551 263 M N -0.086 119.644 119.600 0.217 0.000 2.249 263 M HA 0.205 4.685 4.480 -0.000 0.000 0.340 263 M C -1.994 174.385 176.300 0.132 0.000 1.166 263 M CA -1.285 54.099 55.300 0.140 0.000 1.115 263 M CB 0.308 32.950 32.600 0.069 0.000 1.606 263 M HN -0.222 nan 8.290 nan 0.000 0.448 264 P HA -0.096 nan 4.420 nan 0.000 0.216 264 P C -0.209 177.132 177.300 0.068 0.000 1.150 264 P CA 1.690 64.834 63.100 0.073 0.000 0.837 264 P CB 0.137 31.850 31.700 0.020 0.000 0.786 265 K N -1.384 119.038 120.400 0.036 0.000 2.950 265 K HA 0.208 4.528 4.320 -0.000 0.000 0.199 265 K C -2.281 174.306 176.600 -0.023 0.000 1.144 265 K CA -1.455 54.840 56.287 0.013 0.000 0.983 265 K CB 0.422 32.914 32.500 -0.013 0.000 1.187 265 K HN -0.109 nan 8.250 nan 0.000 0.595 266 P HA -0.002 nan 4.420 nan 0.000 0.227 266 P C -0.303 176.966 177.300 -0.052 0.000 1.161 266 P CA 0.391 63.464 63.100 -0.044 0.000 0.788 266 P CB 0.571 32.314 31.700 0.072 0.000 0.822 267 L N -0.218 120.973 121.223 -0.055 0.000 2.322 267 L HA 0.436 4.776 4.340 -0.000 0.000 0.281 267 L C -0.175 176.722 176.870 0.045 0.000 1.014 267 L CA -1.337 53.500 54.840 -0.005 0.000 0.815 267 L CB 1.492 43.564 42.059 0.022 0.000 1.247 267 L HN -0.177 nan 8.230 nan 0.000 0.421 268 F N 2.334 122.233 119.950 -0.086 0.000 2.411 268 F HA 0.571 5.098 4.527 0.000 0.000 0.350 268 F C 0.999 176.716 175.800 -0.139 0.000 1.114 268 F CA -0.175 57.759 58.000 -0.111 0.000 1.135 268 F CB 1.147 40.109 39.000 -0.062 0.000 1.120 268 F HN 0.686 nan 8.300 nan 0.000 0.495 269 G N 3.454 111.833 108.800 -0.702 0.000 2.136 269 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 269 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 269 G C -0.505 174.244 174.900 -0.253 0.000 0.989 269 G CA 0.227 44.976 45.100 -0.585 0.000 0.682 269 G HN 0.845 nan 8.290 nan 0.000 0.522 270 D N -0.974 119.271 120.400 -0.257 0.000 2.596 270 D HA 0.396 5.036 4.640 -0.000 0.000 0.262 270 D C -0.155 176.073 176.300 -0.119 0.000 1.210 270 D CA -0.756 53.262 54.000 0.031 0.000 0.873 270 D CB 0.770 41.739 40.800 0.282 0.000 1.408 270 D HN -0.055 nan 8.370 nan 0.000 0.441 271 N N -0.421 118.377 118.700 0.163 0.000 2.407 271 N HA 0.343 5.083 4.740 -0.000 0.000 0.250 271 N C 0.344 175.934 175.510 0.133 0.000 1.236 271 N CA 0.440 53.580 53.050 0.149 0.000 0.879 271 N CB 0.658 39.274 38.487 0.215 0.000 1.088 271 N HN 0.375 nan 8.380 nan 0.000 0.450 272 G N -0.095 108.743 108.800 0.064 0.000 2.588 272 G HA2 0.333 4.293 3.960 -0.000 0.000 0.281 272 G HA3 0.333 4.293 3.960 -0.000 0.000 0.281 272 G C -0.696 174.286 174.900 0.136 0.000 1.236 272 G CA -0.452 44.714 45.100 0.109 0.000 0.969 272 G HN 0.455 nan 8.290 nan 0.000 0.504 273 S N -0.788 114.991 115.700 0.131 0.000 2.456 273 S HA 0.644 5.114 4.470 -0.000 0.000 0.316 273 S C 0.505 175.144 174.600 0.065 0.000 1.089 273 S CA -0.343 57.900 58.200 0.071 0.000 1.101 273 S CB 1.401 64.652 63.200 0.086 0.000 0.995 273 S HN 0.938 nan 8.310 nan 0.000 0.468 274 G N 1.372 110.172 108.800 -0.001 0.000 2.552 274 G HA2 0.659 4.619 3.960 -0.000 0.000 0.324 274 G HA3 0.659 4.619 3.960 -0.000 0.000 0.324 274 G C -0.762 174.107 174.900 -0.052 0.000 1.217 274 G CA -0.733 44.350 45.100 -0.029 0.000 0.989 274 G HN 0.620 nan 8.290 nan 0.000 0.490 275 M N 1.659 121.258 119.600 -0.001 0.000 2.126 275 M HA 0.276 4.756 4.480 -0.000 0.000 0.217 275 M C -0.772 175.606 176.300 0.129 0.000 0.873 275 M CA -0.485 54.857 55.300 0.070 0.000 0.707 275 M CB -0.049 32.653 32.600 0.171 0.000 1.515 275 M HN 0.708 nan 8.290 nan 0.000 0.369 276 H N 0.724 119.869 119.070 0.126 0.000 2.928 276 H HA 0.085 4.641 4.556 -0.000 0.000 0.338 276 H C -0.448 174.981 175.328 0.168 0.000 1.047 276 H CA -0.221 55.890 56.048 0.105 0.000 1.435 276 H CB 0.563 30.390 29.762 0.109 0.000 1.428 276 H HN 0.526 nan 8.280 nan 0.000 0.590 277 C N 4.978 124.442 119.300 0.274 0.000 2.294 277 C HA 0.155 4.615 4.460 -0.000 0.000 0.319 277 C C 0.243 175.307 174.990 0.124 0.000 1.164 277 C CA -0.803 58.357 59.018 0.237 0.000 1.497 277 C CB -0.780 27.137 27.740 0.295 0.000 2.061 277 C HN 0.830 nan 8.230 nan 0.000 0.438 278 H N 2.533 121.611 119.070 0.015 0.000 2.803 278 H HA 0.255 4.811 4.556 -0.000 0.000 0.330 278 H C -0.209 174.979 175.328 -0.234 0.000 1.057 278 H CA 0.522 56.526 56.048 -0.073 0.000 1.458 278 H CB 0.979 30.700 29.762 -0.068 0.000 1.470 278 H HN 0.646 nan 8.280 nan 0.000 0.560 279 Q N 1.531 121.201 119.800 -0.216 0.000 2.359 279 Q HA 0.407 4.747 4.340 -0.000 0.000 0.274 279 Q C -1.086 174.699 176.000 -0.358 0.000 1.074 279 Q CA -0.875 54.649 55.803 -0.466 0.000 0.810 279 Q CB 2.810 31.176 28.738 -0.620 0.000 1.342 279 Q HN 0.762 nan 8.270 nan 0.000 0.427 280 S N 1.488 117.024 115.700 -0.274 0.000 2.550 280 S HA 0.690 5.160 4.470 -0.000 0.000 0.270 280 S C -1.358 173.290 174.600 0.081 0.000 1.145 280 S CA -0.820 57.330 58.200 -0.083 0.000 0.852 280 S CB 0.986 64.266 63.200 0.133 0.000 1.119 280 S HN 0.509 nan 8.310 nan 0.000 0.465 281 L N 1.782 123.059 121.223 0.090 0.000 2.317 281 L HA 0.682 5.022 4.340 -0.000 0.000 0.281 281 L C -1.232 175.823 176.870 0.309 0.000 1.024 281 L CA -0.503 54.448 54.840 0.185 0.000 0.810 281 L CB 1.240 43.347 42.059 0.079 0.000 1.240 281 L HN 0.724 nan 8.230 nan 0.000 0.427 282 W N 2.325 123.659 121.300 0.057 0.000 2.864 282 W HA 0.639 5.298 4.660 -0.000 0.000 0.343 282 W C -0.396 176.157 176.519 0.056 0.000 1.109 282 W CA -0.715 56.687 57.345 0.095 0.000 1.192 282 W CB 1.771 31.369 29.460 0.231 0.000 1.426 282 W HN 0.202 nan 8.180 nan 0.000 0.529 283 K N 1.835 122.370 120.400 0.224 0.000 2.535 283 K HA 0.189 4.509 4.320 -0.000 0.000 0.251 283 K C -0.724 175.957 176.600 0.136 0.000 0.942 283 K CA -0.390 55.983 56.287 0.145 0.000 0.798 283 K CB 1.311 33.853 32.500 0.071 0.000 1.267 283 K HN 0.593 nan 8.250 nan 0.000 0.434 284 D N 2.876 123.354 120.400 0.130 0.000 2.751 284 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 284 D C 0.544 176.939 176.300 0.157 0.000 1.149 284 D CA 1.804 55.873 54.000 0.115 0.000 0.682 284 D CB -1.120 39.724 40.800 0.072 0.000 1.068 284 D HN 1.107 nan 8.370 nan 0.000 0.429 285 G N -1.382 107.572 108.800 0.257 0.000 2.143 285 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.248 285 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.248 285 G C 0.275 175.420 174.900 0.407 0.000 0.991 285 G CA 0.696 46.010 45.100 0.358 0.000 0.689 285 G HN 1.232 nan 8.290 nan 0.000 0.522 286 A N 0.255 123.216 122.820 0.234 0.000 2.365 286 A HA 0.924 5.244 4.320 -0.000 0.000 0.318 286 A C -2.340 174.895 177.584 -0.583 0.000 1.091 286 A CA -1.539 50.429 52.037 -0.115 0.000 0.763 286 A CB 2.263 21.214 19.000 -0.082 0.000 1.248 286 A HN 0.145 nan 8.150 nan 0.000 0.442 287 P HA 0.321 nan 4.420 nan 0.000 0.275 287 P C -0.135 176.791 177.300 -0.623 0.000 1.228 287 P CA -0.094 62.108 63.100 -1.497 0.000 0.786 287 P CB 1.004 31.921 31.700 -1.304 0.000 0.927 288 L N 1.141 122.090 121.223 -0.457 0.000 2.858 288 L HA 0.199 4.539 4.340 -0.000 0.000 0.251 288 L C 1.848 178.635 176.870 -0.138 0.000 1.149 288 L CA 0.142 54.858 54.840 -0.208 0.000 0.955 288 L CB -0.173 41.814 42.059 -0.120 0.000 1.289 288 L HN 0.202 nan 8.230 nan 0.000 0.542 289 M N -0.724 118.789 119.600 -0.145 0.000 2.541 289 M HA 0.094 4.574 4.480 -0.000 0.000 0.252 289 M C 0.219 176.504 176.300 -0.026 0.000 1.125 289 M CA 0.583 55.831 55.300 -0.086 0.000 1.091 289 M CB -0.538 32.012 32.600 -0.084 0.000 1.420 289 M HN 0.036 nan 8.290 nan 0.000 0.486 290 Y N 1.612 121.824 120.300 -0.147 0.000 2.330 290 Y HA 0.394 4.944 4.550 -0.000 0.000 0.336 290 Y C -0.832 175.010 175.900 -0.096 0.000 1.036 290 Y CA -0.896 57.134 58.100 -0.116 0.000 1.125 290 Y CB 0.739 39.125 38.460 -0.122 0.000 1.194 290 Y HN -0.006 nan 8.280 nan 0.000 0.469 291 D N 5.222 125.197 120.400 -0.708 0.000 2.602 291 D HA 0.076 4.716 4.640 -0.000 0.000 0.245 291 D C 0.437 176.266 176.300 -0.785 0.000 1.325 291 D CA -0.302 53.346 54.000 -0.587 0.000 0.952 291 D CB 1.445 42.077 40.800 -0.281 0.000 1.317 291 D HN 0.889 nan 8.370 nan 0.000 0.577 292 E N 1.529 121.284 120.200 -0.743 0.000 2.233 292 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 292 E C 1.205 177.665 176.600 -0.233 0.000 1.004 292 E CA 1.905 58.058 56.400 -0.411 0.000 0.819 292 E CB 0.391 30.031 29.700 -0.099 0.000 0.738 292 E HN 0.547 nan 8.360 nan 0.000 0.478 293 T N -3.200 111.236 114.554 -0.196 0.000 3.044 293 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 293 T C 0.808 175.451 174.700 -0.095 0.000 1.081 293 T CA 0.082 62.114 62.100 -0.113 0.000 1.040 293 T CB 0.618 69.439 68.868 -0.078 0.000 0.962 293 T HN 0.129 nan 8.240 nan 0.000 0.506 294 G N 0.412 109.133 108.800 -0.132 0.000 2.507 294 G HA2 0.423 4.383 3.960 -0.000 0.000 0.271 294 G HA3 0.423 4.383 3.960 -0.000 0.000 0.271 294 G C -0.805 174.082 174.900 -0.022 0.000 1.189 294 G CA -0.950 44.111 45.100 -0.065 0.000 0.859 294 G HN 0.450 nan 8.290 nan 0.000 0.542 295 Y N 1.266 121.540 120.300 -0.044 0.000 2.712 295 Y HA 0.223 4.773 4.550 0.000 0.000 0.333 295 Y C 1.166 177.062 175.900 -0.007 0.000 1.225 295 Y CA 0.754 58.841 58.100 -0.021 0.000 1.499 295 Y CB 0.447 38.908 38.460 0.002 0.000 1.288 295 Y HN 1.362 nan 8.280 nan 0.000 0.575 296 A N 3.833 126.163 122.820 -0.818 0.000 2.790 296 A HA -0.177 4.143 4.320 -0.000 0.000 0.277 296 A C 1.575 179.017 177.584 -0.237 0.000 1.435 296 A CA 1.526 53.218 52.037 -0.575 0.000 0.877 296 A CB -2.408 16.230 19.000 -0.604 0.000 1.007 296 A HN 2.626 nan 8.150 nan 0.000 0.613 297 G N -2.724 105.947 108.800 -0.216 0.000 2.198 297 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.260 297 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.260 297 G C -0.053 174.679 174.900 -0.280 0.000 1.025 297 G CA 0.539 45.481 45.100 -0.263 0.000 0.769 297 G HN 1.448 nan 8.290 nan 0.000 0.507 298 L N 1.372 122.496 121.223 -0.165 0.000 2.289 298 L HA 0.570 4.910 4.340 -0.000 0.000 0.285 298 L C 1.354 178.135 176.870 -0.150 0.000 1.049 298 L CA -0.287 54.483 54.840 -0.117 0.000 0.804 298 L CB 1.597 43.642 42.059 -0.023 0.000 1.195 298 L HN 0.412 nan 8.230 nan 0.000 0.428 299 S N 0.573 116.182 115.700 -0.152 0.000 2.617 299 S HA 0.081 4.551 4.470 -0.000 0.000 0.259 299 S C 0.648 175.153 174.600 -0.159 0.000 1.301 299 S CA -0.598 57.515 58.200 -0.144 0.000 0.984 299 S CB 0.912 64.043 63.200 -0.114 0.000 0.954 299 S HN 0.614 nan 8.310 nan 0.000 0.572 300 D N 1.085 121.382 120.400 -0.171 0.000 2.117 300 D HA -0.056 4.584 4.640 -0.000 0.000 0.197 300 D C 2.025 178.142 176.300 -0.305 0.000 0.987 300 D CA 1.733 55.553 54.000 -0.300 0.000 0.829 300 D CB -1.006 39.683 40.800 -0.186 0.000 0.961 300 D HN 0.694 nan 8.370 nan 0.000 0.460 301 T N 0.918 115.417 114.554 -0.092 0.000 2.684 301 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 301 T C 2.007 176.716 174.700 0.015 0.000 1.036 301 T CA 1.724 63.835 62.100 0.018 0.000 1.148 301 T CB -0.300 68.581 68.868 0.022 0.000 0.863 301 T HN 0.209 nan 8.240 nan 0.000 0.436 302 A N 1.424 124.207 122.820 -0.062 0.000 1.877 302 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 302 A C 2.304 179.837 177.584 -0.086 0.000 1.186 302 A CA 1.788 53.777 52.037 -0.079 0.000 0.620 302 A CB -0.601 18.334 19.000 -0.109 0.000 0.822 302 A HN 0.407 nan 8.150 nan 0.000 0.443 303 R N -1.215 119.183 120.500 -0.171 0.000 2.096 303 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 303 R C 1.964 178.162 176.300 -0.170 0.000 1.127 303 R CA 1.825 57.780 56.100 -0.242 0.000 0.968 303 R CB -0.374 29.767 30.300 -0.265 0.000 0.861 303 R HN 0.805 nan 8.270 nan 0.000 0.440 304 H N -2.110 116.930 119.070 -0.050 0.000 2.428 304 H HA -0.132 4.424 4.556 -0.000 0.000 0.296 304 H C 1.606 176.924 175.328 -0.016 0.000 1.062 304 H CA 1.285 57.307 56.048 -0.043 0.000 1.350 304 H CB -0.012 29.736 29.762 -0.024 0.000 1.403 304 H HN 0.270 nan 8.280 nan 0.000 0.533 305 Y N 1.246 121.553 120.300 0.012 0.000 2.145 305 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 305 Y C 2.171 178.010 175.900 -0.102 0.000 1.145 305 Y CA 1.424 59.505 58.100 -0.031 0.000 1.148 305 Y CB -0.146 38.287 38.460 -0.045 0.000 0.981 305 Y HN 0.082 nan 8.280 nan 0.000 0.507 306 I N -0.348 120.269 120.570 0.079 0.000 2.226 306 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 306 I C 2.686 178.720 176.117 -0.137 0.000 1.100 306 I CA 1.397 62.633 61.300 -0.106 0.000 1.374 306 I CB -1.032 36.763 38.000 -0.341 0.000 1.057 306 I HN 0.371 nan 8.210 nan 0.000 0.413 307 G N 0.606 109.340 108.800 -0.110 0.000 2.469 307 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 307 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 307 G C 1.718 176.571 174.900 -0.079 0.000 1.150 307 G CA 0.941 45.997 45.100 -0.075 0.000 0.763 307 G HN 0.508 nan 8.290 nan 0.000 0.561 308 G N 0.791 109.537 108.800 -0.090 0.000 2.418 308 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 308 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 308 G C 1.825 176.670 174.900 -0.091 0.000 1.158 308 G CA 0.800 45.848 45.100 -0.087 0.000 0.771 308 G HN 0.429 nan 8.290 nan 0.000 0.545 309 L N -0.144 120.974 121.223 -0.174 0.000 2.017 309 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 309 L C 2.905 179.685 176.870 -0.149 0.000 1.073 309 L CA 0.786 55.473 54.840 -0.256 0.000 0.745 309 L CB -0.399 41.355 42.059 -0.508 0.000 0.894 309 L HN 0.184 nan 8.230 nan 0.000 0.432 310 L N -1.368 119.799 121.223 -0.092 0.000 2.156 310 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 310 L C 2.607 179.472 176.870 -0.008 0.000 1.095 310 L CA 0.832 55.671 54.840 -0.002 0.000 0.770 310 L CB -0.670 41.408 42.059 0.032 0.000 0.914 310 L HN 0.323 nan 8.230 nan 0.000 0.439 311 H N -0.681 118.291 119.070 -0.164 0.000 2.357 311 H HA -0.124 4.432 4.556 -0.000 0.000 0.301 311 H C 2.114 177.251 175.328 -0.318 0.000 1.082 311 H CA 1.610 57.500 56.048 -0.264 0.000 1.342 311 H CB 0.148 29.670 29.762 -0.399 0.000 1.389 311 H HN 0.235 nan 8.280 nan 0.000 0.511 312 H N -0.415 118.477 119.070 -0.298 0.000 2.548 312 H HA 0.267 4.823 4.556 -0.000 0.000 0.265 312 H C 2.180 177.411 175.328 -0.161 0.000 0.969 312 H CA 0.642 56.437 56.048 -0.422 0.000 1.155 312 H CB -0.140 29.196 29.762 -0.710 0.000 1.394 312 H HN 0.544 nan 8.280 nan 0.000 0.570 313 A N 2.206 125.052 122.820 0.044 0.000 1.915 313 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 313 A C -0.131 177.549 177.584 0.160 0.000 1.198 313 A CA 1.693 53.828 52.037 0.163 0.000 0.647 313 A CB -1.408 17.703 19.000 0.186 0.000 0.825 313 A HN 0.304 nan 8.150 nan 0.000 0.456 314 P HA -0.146 nan 4.420 nan 0.000 0.218 314 P C 1.678 179.052 177.300 0.124 0.000 1.146 314 P CA 2.032 65.186 63.100 0.090 0.000 0.813 314 P CB -0.071 31.646 31.700 0.028 0.000 0.778 315 S N -2.168 113.626 115.700 0.157 0.000 2.527 315 S HA 0.050 4.520 4.470 -0.000 0.000 0.227 315 S C 1.712 176.471 174.600 0.265 0.000 1.059 315 S CA -0.089 58.235 58.200 0.206 0.000 0.919 315 S CB -1.326 62.033 63.200 0.265 0.000 0.805 315 S HN -0.018 nan 8.310 nan 0.000 0.500 316 L N 2.258 123.674 121.223 0.320 0.000 2.079 316 L HA 0.141 4.481 4.340 -0.000 0.000 0.210 316 L C 2.049 179.132 176.870 0.356 0.000 1.081 316 L CA 1.628 56.694 54.840 0.377 0.000 0.752 316 L CB -0.777 41.495 42.059 0.355 0.000 0.896 316 L HN 0.383 nan 8.230 nan 0.000 0.433 317 L N -0.572 120.841 121.223 0.316 0.000 2.353 317 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 317 L C 2.590 179.639 176.870 0.299 0.000 1.133 317 L CA 0.848 55.876 54.840 0.314 0.000 0.798 317 L CB -1.130 41.126 42.059 0.328 0.000 0.922 317 L HN 0.430 nan 8.230 nan 0.000 0.445 318 A N -0.064 122.888 122.820 0.219 0.000 2.024 318 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 318 A C 1.888 179.534 177.584 0.103 0.000 1.164 318 A CA 1.581 53.694 52.037 0.127 0.000 0.643 318 A CB -0.483 18.488 19.000 -0.049 0.000 0.806 318 A HN 0.414 nan 8.150 nan 0.000 0.451 319 F N -1.013 119.082 119.950 0.241 0.000 2.717 319 F HA 0.040 4.567 4.527 -0.000 0.000 0.297 319 F C 2.557 178.478 175.800 0.202 0.000 1.113 319 F CA 0.988 59.067 58.000 0.131 0.000 1.319 319 F CB 0.323 39.267 39.000 -0.094 0.000 1.097 319 F HN 0.296 nan 8.300 nan 0.000 0.595 320 T N -3.479 111.302 114.554 0.380 0.000 3.040 320 T HA 0.133 4.483 4.350 -0.000 0.000 0.252 320 T C 0.477 175.296 174.700 0.198 0.000 1.064 320 T CA 0.341 62.621 62.100 0.299 0.000 1.110 320 T CB -0.269 68.786 68.868 0.311 0.000 0.921 320 T HN -0.035 nan 8.240 nan 0.000 0.480 321 N N 2.387 121.199 118.700 0.186 0.000 2.765 321 N HA 0.346 5.086 4.740 -0.000 0.000 0.277 321 N C -2.609 172.999 175.510 0.163 0.000 1.750 321 N CA -1.317 51.769 53.050 0.060 0.000 0.827 321 N CB 1.984 40.386 38.487 -0.142 0.000 1.200 321 N HN 0.251 nan 8.380 nan 0.000 0.494 322 P HA 0.048 nan 4.420 nan 0.000 0.262 322 P C -0.313 177.102 177.300 0.192 0.000 1.304 322 P CA 0.372 63.650 63.100 0.297 0.000 0.859 322 P CB 0.203 32.184 31.700 0.468 0.000 1.310 323 T N -4.611 110.045 114.554 0.172 0.000 2.930 323 T HA 0.365 4.715 4.350 -0.000 0.000 0.290 323 T C 1.184 176.000 174.700 0.194 0.000 1.052 323 T CA -0.667 61.508 62.100 0.125 0.000 1.017 323 T CB 1.344 70.255 68.868 0.072 0.000 1.137 323 T HN -0.294 nan 8.240 nan 0.000 0.511 324 V N 1.621 121.610 119.914 0.125 0.000 2.332 324 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 324 V C 2.863 179.051 176.094 0.158 0.000 1.055 324 V CA 2.204 64.591 62.300 0.146 0.000 1.038 324 V CB -0.999 30.851 31.823 0.045 0.000 0.651 324 V HN 1.014 nan 8.190 nan 0.000 0.450 325 N N -0.016 118.723 118.700 0.064 0.000 2.289 325 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 325 N C 1.924 177.440 175.510 0.010 0.000 1.016 325 N CA 1.409 54.471 53.050 0.020 0.000 0.872 325 N CB 0.038 38.507 38.487 -0.029 0.000 0.973 325 N HN 0.457 nan 8.380 nan 0.000 0.433 326 S N -0.055 115.631 115.700 -0.023 0.000 2.392 326 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 326 S C 1.213 175.589 174.600 -0.373 0.000 1.041 326 S CA 1.245 59.307 58.200 -0.231 0.000 1.026 326 S CB -0.367 62.586 63.200 -0.412 0.000 0.845 326 S HN 0.503 nan 8.310 nan 0.000 0.465 327 Y N 0.666 120.992 120.300 0.044 0.000 2.546 327 Y HA 0.190 4.740 4.550 0.000 0.000 0.287 327 Y C 2.005 177.930 175.900 0.041 0.000 1.158 327 Y CA 0.291 58.420 58.100 0.047 0.000 1.307 327 Y CB -0.012 38.473 38.460 0.043 0.000 1.036 327 Y HN 0.022 nan 8.280 nan 0.000 0.532 328 K N 0.205 120.663 120.400 0.097 0.000 2.366 328 K HA -0.028 4.292 4.320 -0.000 0.000 0.198 328 K C 2.070 178.688 176.600 0.030 0.000 1.044 328 K CA 0.484 56.808 56.287 0.062 0.000 0.973 328 K CB 0.036 32.555 32.500 0.032 0.000 0.767 328 K HN 0.164 nan 8.250 nan 0.000 0.475 329 R N 0.255 120.758 120.500 0.004 0.000 2.127 329 R HA 0.099 4.439 4.340 -0.000 0.000 0.217 329 R C 0.238 176.563 176.300 0.042 0.000 1.074 329 R CA 0.505 56.605 56.100 0.001 0.000 0.991 329 R CB 0.120 30.416 30.300 -0.007 0.000 0.895 329 R HN 0.079 nan 8.270 nan 0.000 0.450 330 L N 3.520 124.767 121.223 0.041 0.000 2.672 330 L HA 0.171 4.511 4.340 -0.000 0.000 0.238 330 L C -0.475 176.467 176.870 0.121 0.000 1.392 330 L CA -0.504 54.388 54.840 0.087 0.000 1.238 330 L CB 0.215 42.326 42.059 0.088 0.000 1.548 330 L HN 0.061 nan 8.230 nan 0.000 0.423 331 V N -1.768 118.218 119.914 0.119 0.000 2.962 331 V HA 0.708 4.828 4.120 -0.000 0.000 0.313 331 V C -2.560 173.564 176.094 0.050 0.000 1.099 331 V CA -2.316 60.052 62.300 0.115 0.000 0.971 331 V CB 1.869 33.778 31.823 0.144 0.000 1.028 331 V HN 0.056 nan 8.190 nan 0.000 0.430 332 P HA 0.466 nan 4.420 nan 0.000 0.275 332 P C 0.675 177.519 177.300 -0.759 0.000 1.227 332 P CA 1.163 63.965 63.100 -0.496 0.000 0.781 332 P CB 1.234 32.783 31.700 -0.251 0.000 0.906 333 G N 1.414 109.325 108.800 -1.482 0.000 2.175 333 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.182 333 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.182 333 G C -0.168 174.122 174.900 -1.017 0.000 1.003 333 G CA -0.362 44.046 45.100 -1.154 0.000 0.666 333 G HN 0.486 nan 8.290 nan 0.000 0.506 334 Y N 0.143 120.279 120.300 -0.273 0.000 2.768 334 Y HA 0.447 4.997 4.550 -0.000 0.000 0.249 334 Y C 1.029 176.962 175.900 0.056 0.000 1.146 334 Y CA -0.226 57.840 58.100 -0.056 0.000 1.171 334 Y CB 0.220 38.657 38.460 -0.039 0.000 1.249 334 Y HN 0.381 nan 8.280 nan 0.000 0.567 335 E N -0.546 119.802 120.200 0.247 0.000 2.791 335 E HA -0.203 4.147 4.350 -0.000 0.000 0.271 335 E C 0.093 176.846 176.600 0.255 0.000 1.044 335 E CA 0.511 57.066 56.400 0.258 0.000 0.814 335 E CB -1.268 28.521 29.700 0.148 0.000 1.400 335 E HN 0.395 nan 8.360 nan 0.000 0.423 336 A N 0.481 123.472 122.820 0.284 0.000 2.356 336 A HA 0.696 5.016 4.320 -0.000 0.000 0.323 336 A C -2.579 175.159 177.584 0.257 0.000 1.119 336 A CA -1.588 50.586 52.037 0.228 0.000 0.790 336 A CB 1.028 20.136 19.000 0.180 0.000 1.273 336 A HN -0.140 nan 8.150 nan 0.000 0.452 337 P HA 0.271 nan 4.420 nan 0.000 0.268 337 P C 0.231 177.654 177.300 0.205 0.000 1.205 337 P CA 0.132 63.341 63.100 0.182 0.000 0.771 337 P CB 0.326 32.103 31.700 0.129 0.000 0.858 338 I N -1.262 119.444 120.570 0.226 0.000 4.240 338 I HA 0.372 4.542 4.170 -0.000 0.000 0.331 338 I C -0.207 176.003 176.117 0.154 0.000 1.381 338 I CA -0.268 61.150 61.300 0.196 0.000 1.136 338 I CB -0.023 38.115 38.000 0.230 0.000 1.137 338 I HN 0.186 nan 8.210 nan 0.000 0.411 339 N N 0.803 119.586 118.700 0.139 0.000 3.020 339 N HA 0.401 5.141 4.740 -0.000 0.000 0.248 339 N C -1.140 174.442 175.510 0.120 0.000 1.480 339 N CA -0.934 52.185 53.050 0.115 0.000 0.874 339 N CB 0.830 39.369 38.487 0.087 0.000 1.433 339 N HN 0.075 nan 8.380 nan 0.000 0.530 340 L N 0.555 121.845 121.223 0.111 0.000 2.598 340 L HA 0.492 4.832 4.340 -0.000 0.000 0.241 340 L C -0.036 176.906 176.870 0.120 0.000 1.244 340 L CA -0.824 54.093 54.840 0.129 0.000 1.198 340 L CB -0.207 41.921 42.059 0.115 0.000 1.448 340 L HN 0.523 nan 8.230 nan 0.000 0.406 341 V N -0.576 119.409 119.914 0.120 0.000 2.864 341 V HA 0.605 4.725 4.120 -0.000 0.000 0.314 341 V C -0.772 175.430 176.094 0.180 0.000 1.073 341 V CA -0.713 61.655 62.300 0.114 0.000 0.956 341 V CB 1.884 33.721 31.823 0.023 0.000 1.023 341 V HN 0.434 nan 8.190 nan 0.000 0.435 342 Y N 2.383 122.696 120.300 0.022 0.000 2.420 342 Y HA 0.885 5.435 4.550 -0.000 0.000 0.334 342 Y C -0.104 175.821 175.900 0.042 0.000 1.094 342 Y CA -0.249 57.875 58.100 0.041 0.000 1.126 342 Y CB 1.930 40.421 38.460 0.052 0.000 1.217 342 Y HN 1.003 nan 8.280 nan 0.000 0.462 343 S N 2.796 118.498 115.700 0.003 0.000 2.548 343 S HA 0.221 4.691 4.470 -0.000 0.000 0.278 343 S C -1.529 173.116 174.600 0.075 0.000 1.150 343 S CA -0.998 57.182 58.200 -0.033 0.000 0.907 343 S CB 1.147 64.307 63.200 -0.066 0.000 1.108 343 S HN 1.012 nan 8.310 nan 0.000 0.459 344 Q N 3.269 123.133 119.800 0.107 0.000 2.373 344 Q HA 0.518 4.858 4.340 -0.000 0.000 0.255 344 Q C 0.546 176.540 176.000 -0.011 0.000 0.980 344 Q CA -0.359 55.448 55.803 0.006 0.000 0.882 344 Q CB 0.422 29.079 28.738 -0.136 0.000 1.249 344 Q HN 0.847 nan 8.270 nan 0.000 0.438 345 R N 0.328 120.817 120.500 -0.019 0.000 4.010 345 R HA -0.217 4.123 4.340 -0.000 0.000 0.409 345 R C -0.874 175.406 176.300 -0.033 0.000 1.120 345 R CA 1.085 57.171 56.100 -0.023 0.000 1.244 345 R CB -1.033 29.250 30.300 -0.028 0.000 1.799 345 R HN 0.885 nan 8.270 nan 0.000 0.559 346 N N 0.650 119.329 118.700 -0.035 0.000 2.485 346 N HA 0.173 4.913 4.740 -0.000 0.000 0.243 346 N C 0.353 175.821 175.510 -0.070 0.000 0.987 346 N CA -0.251 52.764 53.050 -0.059 0.000 0.940 346 N CB 0.771 39.221 38.487 -0.061 0.000 1.122 346 N HN 0.203 nan 8.380 nan 0.000 0.509 347 R N 0.588 121.041 120.500 -0.078 0.000 2.313 347 R HA 0.015 4.355 4.340 -0.000 0.000 0.199 347 R C 1.261 177.526 176.300 -0.059 0.000 0.958 347 R CA 0.552 56.611 56.100 -0.068 0.000 1.047 347 R CB 0.223 30.492 30.300 -0.050 0.000 0.955 347 R HN 0.533 nan 8.270 nan 0.000 0.481 348 S N -0.954 114.654 115.700 -0.154 0.000 2.575 348 S HA 0.249 4.719 4.470 -0.000 0.000 0.215 348 S C 0.726 175.223 174.600 -0.173 0.000 0.966 348 S CA -0.370 57.643 58.200 -0.312 0.000 0.911 348 S CB 0.546 63.252 63.200 -0.824 0.000 0.780 348 S HN 0.192 nan 8.310 nan 0.000 0.514 349 A N 0.131 122.901 122.820 -0.083 0.000 2.264 349 A HA 0.614 4.934 4.320 -0.000 0.000 0.304 349 A C 1.362 178.976 177.584 0.051 0.000 1.100 349 A CA -0.372 51.656 52.037 -0.015 0.000 0.839 349 A CB 0.480 19.475 19.000 -0.007 0.000 1.121 349 A HN 0.409 nan 8.150 nan 0.000 0.496 350 C N -0.075 119.291 119.300 0.111 0.000 2.486 350 C HA 0.275 4.735 4.460 -0.000 0.000 0.279 350 C C 0.628 175.773 174.990 0.259 0.000 1.302 350 C CA 0.816 59.945 59.018 0.185 0.000 1.720 350 C CB -0.708 27.174 27.740 0.238 0.000 2.030 350 C HN 0.503 nan 8.230 nan 0.000 0.490 351 V N 2.533 122.589 119.914 0.237 0.000 2.407 351 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 351 V C -0.181 176.004 176.094 0.151 0.000 1.018 351 V CA -0.420 62.014 62.300 0.224 0.000 0.842 351 V CB 1.222 33.178 31.823 0.222 0.000 0.996 351 V HN 0.414 nan 8.190 nan 0.000 0.426 352 R N 5.559 126.093 120.500 0.056 0.000 2.368 352 R HA 0.573 4.913 4.340 -0.000 0.000 0.302 352 R C -1.045 175.269 176.300 0.024 0.000 1.002 352 R CA -0.708 55.405 56.100 0.022 0.000 0.929 352 R CB 1.118 31.387 30.300 -0.051 0.000 1.073 352 R HN 0.549 nan 8.270 nan 0.000 0.464 353 I N 6.586 127.188 120.570 0.054 0.000 2.291 353 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 353 I C -2.034 174.087 176.117 0.007 0.000 1.050 353 I CA -3.026 58.294 61.300 0.034 0.000 1.245 353 I CB 0.771 38.804 38.000 0.056 0.000 1.405 353 I HN 0.541 nan 8.210 nan 0.000 0.478 354 P HA 0.115 nan 4.420 nan 0.000 0.269 354 P C -0.298 177.016 177.300 0.024 0.000 1.209 354 P CA -0.282 62.843 63.100 0.042 0.000 0.776 354 P CB 1.027 32.793 31.700 0.110 0.000 0.876 355 I N 3.381 123.962 120.570 0.018 0.000 2.347 355 I HA 0.048 4.218 4.170 -0.000 0.000 0.294 355 I C 1.606 177.733 176.117 0.017 0.000 1.090 355 I CA 0.553 61.857 61.300 0.006 0.000 1.314 355 I CB -0.568 37.431 38.000 -0.001 0.000 1.423 355 I HN 0.463 nan 8.210 nan 0.000 0.503 356 T N 1.237 115.800 114.554 0.016 0.000 3.004 356 T HA 0.483 4.833 4.350 -0.000 0.000 0.266 356 T C 0.886 175.587 174.700 0.003 0.000 0.986 356 T CA 0.195 62.303 62.100 0.014 0.000 0.902 356 T CB 0.674 69.551 68.868 0.015 0.000 1.118 356 T HN 0.889 nan 8.240 nan 0.000 0.522 357 G N 1.986 110.792 108.800 0.011 0.000 2.508 357 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 357 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 357 G C 0.780 175.691 174.900 0.019 0.000 1.287 357 G CA 0.427 45.531 45.100 0.008 0.000 0.916 357 G HN 1.111 nan 8.290 nan 0.000 0.574 358 S N -0.287 115.402 115.700 -0.018 0.000 2.535 358 S HA 0.214 4.684 4.470 -0.000 0.000 0.214 358 S C 0.779 175.200 174.600 -0.299 0.000 0.980 358 S CA 0.970 59.141 58.200 -0.049 0.000 0.907 358 S CB 0.135 63.339 63.200 0.008 0.000 0.790 358 S HN 1.046 nan 8.310 nan 0.000 0.510 359 N N 3.825 122.381 118.700 -0.238 0.000 2.427 359 N HA 0.203 4.942 4.740 -0.000 0.000 0.269 359 N C -1.908 173.325 175.510 -0.461 0.000 1.235 359 N CA -1.798 51.085 53.050 -0.277 0.000 0.934 359 N CB 1.078 39.486 38.487 -0.132 0.000 1.121 359 N HN 0.043 nan 8.380 nan 0.000 0.480 360 P HA -0.089 nan 4.420 nan 0.000 0.218 360 P C 0.693 177.814 177.300 -0.300 0.000 1.149 360 P CA 1.308 63.970 63.100 -0.730 0.000 0.817 360 P CB 0.309 31.683 31.700 -0.542 0.000 0.785 361 K N -0.241 120.059 120.400 -0.167 0.000 2.147 361 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 361 K C 1.982 178.647 176.600 0.109 0.000 1.049 361 K CA 1.405 57.728 56.287 0.060 0.000 0.936 361 K CB -0.479 32.142 32.500 0.201 0.000 0.722 361 K HN 0.067 nan 8.250 nan 0.000 0.446 362 A N 1.352 124.170 122.820 -0.005 0.000 2.208 362 A HA -0.019 4.301 4.320 -0.000 0.000 0.209 362 A C 0.722 178.303 177.584 -0.006 0.000 1.161 362 A CA 0.199 52.230 52.037 -0.010 0.000 0.782 362 A CB -0.035 18.952 19.000 -0.021 0.000 0.816 362 A HN 0.008 nan 8.150 nan 0.000 0.477 363 K N 1.559 121.960 120.400 0.002 0.000 2.416 363 K HA 0.265 4.585 4.320 -0.000 0.000 0.283 363 K C 0.310 176.915 176.600 0.008 0.000 1.037 363 K CA 0.255 56.566 56.287 0.040 0.000 0.995 363 K CB 0.104 32.682 32.500 0.130 0.000 0.938 363 K HN 0.653 nan 8.250 nan 0.000 0.475 364 R N 2.458 122.956 120.500 -0.003 0.000 2.728 364 R HA 0.392 4.732 4.340 -0.000 0.000 0.274 364 R C -1.580 174.692 176.300 -0.048 0.000 1.032 364 R CA -1.142 54.932 56.100 -0.044 0.000 0.866 364 R CB 0.100 30.379 30.300 -0.034 0.000 1.263 364 R HN 0.345 nan 8.270 nan 0.000 0.475 365 L N -1.611 119.551 121.223 -0.102 0.000 2.331 365 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 365 L C -0.323 176.461 176.870 -0.142 0.000 1.022 365 L CA -0.494 54.294 54.840 -0.088 0.000 0.812 365 L CB 1.746 43.750 42.059 -0.092 0.000 1.257 365 L HN 0.775 nan 8.230 nan 0.000 0.435 366 E N 2.317 122.412 120.200 -0.174 0.000 2.073 366 E HA 0.234 4.584 4.350 -0.000 0.000 0.269 366 E C -1.629 174.963 176.600 -0.013 0.000 0.917 366 E CA -0.760 55.448 56.400 -0.320 0.000 0.757 366 E CB 0.837 30.192 29.700 -0.575 0.000 1.111 366 E HN 0.622 nan 8.360 nan 0.000 0.410 367 F N 5.026 124.922 119.950 -0.089 0.000 2.434 367 F HA 0.246 4.772 4.527 -0.000 0.000 0.358 367 F C 0.744 176.582 175.800 0.064 0.000 1.136 367 F CA -0.559 57.457 58.000 0.028 0.000 1.157 367 F CB 0.405 39.468 39.000 0.105 0.000 1.167 367 F HN 0.548 nan 8.300 nan 0.000 0.539 368 R N 2.036 122.514 120.500 -0.036 0.000 2.280 368 R HA -0.029 4.311 4.340 -0.000 0.000 0.195 368 R C 2.300 178.546 176.300 -0.089 0.000 0.935 368 R CA 0.687 56.729 56.100 -0.096 0.000 1.033 368 R CB 0.114 30.299 30.300 -0.191 0.000 0.964 368 R HN 0.622 nan 8.270 nan 0.000 0.489 369 S N 1.205 116.648 115.700 -0.427 0.000 2.368 369 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 369 S C -1.600 172.846 174.600 -0.256 0.000 1.029 369 S CA 0.435 58.420 58.200 -0.359 0.000 0.988 369 S CB -0.558 62.374 63.200 -0.447 0.000 0.838 369 S HN 0.070 nan 8.310 nan 0.000 0.462 370 P HA 0.204 nan 4.420 nan 0.000 0.268 370 P C -0.855 176.463 177.300 0.030 0.000 1.208 370 P CA 0.047 63.109 63.100 -0.064 0.000 0.777 370 P CB 0.411 32.138 31.700 0.045 0.000 0.875 371 D N -1.712 118.727 120.400 0.065 0.000 2.585 371 D HA 0.320 4.960 4.640 -0.000 0.000 0.254 371 D C -0.232 176.145 176.300 0.129 0.000 1.067 371 D CA -0.728 53.324 54.000 0.088 0.000 1.090 371 D CB 0.202 41.035 40.800 0.055 0.000 1.408 371 D HN -0.007 nan 8.370 nan 0.000 0.554 372 S N -1.112 114.683 115.700 0.158 0.000 2.614 372 S HA 0.070 4.540 4.470 -0.000 0.000 0.230 372 S C 1.071 175.745 174.600 0.123 0.000 0.952 372 S CA 0.017 58.308 58.200 0.153 0.000 0.949 372 S CB -0.481 62.867 63.200 0.247 0.000 0.786 372 S HN 0.531 nan 8.310 nan 0.000 0.478 373 S N 0.465 116.240 115.700 0.125 0.000 2.631 373 S HA 0.391 4.860 4.470 -0.000 0.000 0.217 373 S C 0.949 175.623 174.600 0.123 0.000 0.958 373 S CA 0.074 58.342 58.200 0.114 0.000 0.920 373 S CB 0.322 63.579 63.200 0.096 0.000 0.776 373 S HN 0.476 nan 8.310 nan 0.000 0.517 374 G N 1.130 110.014 108.800 0.140 0.000 3.382 374 G HA2 0.376 4.336 3.960 -0.000 0.000 0.183 374 G HA3 0.376 4.336 3.960 -0.000 0.000 0.183 374 G C -1.281 173.712 174.900 0.155 0.000 1.246 374 G CA -0.535 44.690 45.100 0.207 0.000 0.828 374 G HN 0.300 nan 8.290 nan 0.000 0.728 375 N N 1.229 120.042 118.700 0.187 0.000 2.491 375 N HA 0.362 5.102 4.740 -0.000 0.000 0.274 375 N C -1.830 173.629 175.510 -0.084 0.000 1.023 375 N CA -1.832 51.276 53.050 0.098 0.000 0.902 375 N CB 2.913 41.526 38.487 0.209 0.000 1.267 375 N HN -0.018 nan 8.380 nan 0.000 0.503 376 P HA -0.083 nan 4.420 nan 0.000 0.219 376 P C 0.855 177.602 177.300 -0.921 0.000 1.150 376 P CA 1.090 63.695 63.100 -0.825 0.000 0.814 376 P CB 0.230 31.328 31.700 -1.003 0.000 0.787 377 Y N 0.323 120.378 120.300 -0.408 0.000 2.128 377 Y HA -0.138 4.412 4.550 0.000 0.000 0.284 377 Y C 2.721 178.474 175.900 -0.245 0.000 1.154 377 Y CA 1.115 59.041 58.100 -0.291 0.000 1.149 377 Y CB -1.573 36.776 38.460 -0.186 0.000 0.976 377 Y HN -0.190 nan 8.280 nan 0.000 0.505 378 L N -1.044 120.146 121.223 -0.056 0.000 2.109 378 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 378 L C 2.665 179.516 176.870 -0.031 0.000 1.086 378 L CA 0.883 55.641 54.840 -0.137 0.000 0.760 378 L CB -0.891 41.038 42.059 -0.217 0.000 0.910 378 L HN 0.226 nan 8.230 nan 0.000 0.437 379 A N 0.398 123.234 122.820 0.025 0.000 1.855 379 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 379 A C 2.060 179.849 177.584 0.342 0.000 1.191 379 A CA 1.339 53.497 52.037 0.202 0.000 0.613 379 A CB -0.691 18.437 19.000 0.212 0.000 0.829 379 A HN 0.249 nan 8.150 nan 0.000 0.442 380 F N 1.055 120.988 119.950 -0.030 0.000 2.095 380 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 380 F C 2.882 178.616 175.800 -0.111 0.000 1.104 380 F CA 0.997 58.840 58.000 -0.262 0.000 1.232 380 F CB -1.408 37.110 39.000 -0.803 0.000 0.987 380 F HN 0.164 nan 8.300 nan 0.000 0.475 381 S N 0.238 116.016 115.700 0.130 0.000 2.359 381 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 381 S C 2.389 177.145 174.600 0.260 0.000 1.035 381 S CA 1.226 59.513 58.200 0.146 0.000 1.018 381 S CB -0.751 62.449 63.200 0.001 0.000 0.876 381 S HN 0.359 nan 8.310 nan 0.000 0.448 382 A N 1.417 124.377 122.820 0.235 0.000 1.902 382 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 382 A C 2.155 179.868 177.584 0.216 0.000 1.181 382 A CA 1.569 53.651 52.037 0.075 0.000 0.623 382 A CB -0.654 18.295 19.000 -0.086 0.000 0.818 382 A HN 0.481 nan 8.150 nan 0.000 0.443 383 M N -1.332 118.467 119.600 0.333 0.000 2.080 383 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 383 M C 2.203 178.670 176.300 0.279 0.000 1.068 383 M CA 1.645 57.165 55.300 0.367 0.000 1.109 383 M CB -0.458 32.495 32.600 0.588 0.000 1.342 383 M HN 0.469 nan 8.290 nan 0.000 0.405 384 L N 0.438 121.902 121.223 0.401 0.000 2.017 384 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 384 L C 2.322 179.285 176.870 0.154 0.000 1.073 384 L CA 1.881 56.931 54.840 0.350 0.000 0.745 384 L CB -0.514 41.810 42.059 0.440 0.000 0.894 384 L HN 0.255 nan 8.230 nan 0.000 0.432 385 M N -0.552 119.153 119.600 0.175 0.000 2.149 385 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 385 M C 2.404 178.796 176.300 0.154 0.000 1.064 385 M CA 1.818 57.205 55.300 0.145 0.000 1.102 385 M CB -1.863 30.774 32.600 0.061 0.000 1.369 385 M HN 0.454 nan 8.290 nan 0.000 0.408 386 A N 0.034 122.934 122.820 0.134 0.000 1.898 386 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 386 A C 2.465 179.966 177.584 -0.138 0.000 1.181 386 A CA 1.822 53.861 52.037 0.003 0.000 0.620 386 A CB -1.352 17.645 19.000 -0.005 0.000 0.819 386 A HN 0.501 nan 8.150 nan 0.000 0.442 387 G N -0.226 108.300 108.800 -0.456 0.000 2.402 387 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 387 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 387 G C 1.543 176.155 174.900 -0.479 0.000 1.162 387 G CA 0.955 45.425 45.100 -1.052 0.000 0.777 387 G HN 0.413 nan 8.290 nan 0.000 0.539 388 L N 0.234 121.339 121.223 -0.196 0.000 2.093 388 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 388 L C 2.502 179.406 176.870 0.056 0.000 1.085 388 L CA 1.413 56.270 54.840 0.029 0.000 0.755 388 L CB -0.350 41.811 42.059 0.169 0.000 0.904 388 L HN 0.204 nan 8.230 nan 0.000 0.435 389 D N 0.019 120.462 120.400 0.071 0.000 2.144 389 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 389 D C 2.126 178.449 176.300 0.037 0.000 0.984 389 D CA 1.285 55.347 54.000 0.103 0.000 0.834 389 D CB 0.032 40.948 40.800 0.193 0.000 0.955 389 D HN 0.213 nan 8.370 nan 0.000 0.465 390 G N 0.297 109.091 108.800 -0.010 0.000 2.421 390 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 390 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 390 G C 1.745 176.613 174.900 -0.053 0.000 1.171 390 G CA 0.759 45.824 45.100 -0.057 0.000 0.775 390 G HN 0.345 nan 8.290 nan 0.000 0.543 391 I N 0.273 120.848 120.570 0.008 0.000 2.179 391 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 391 I C 2.706 178.800 176.117 -0.039 0.000 1.088 391 I CA 1.453 62.779 61.300 0.043 0.000 1.357 391 I CB -0.180 37.883 38.000 0.106 0.000 1.051 391 I HN 0.110 nan 8.210 nan 0.000 0.409 392 K N 0.767 121.158 120.400 -0.015 0.000 2.057 392 K HA -0.133 4.186 4.320 -0.000 0.000 0.207 392 K C 1.438 178.000 176.600 -0.063 0.000 1.049 392 K CA 1.382 57.659 56.287 -0.017 0.000 0.931 392 K CB 0.049 32.567 32.500 0.029 0.000 0.714 392 K HN 0.286 nan 8.250 nan 0.000 0.440 393 N N 1.059 119.705 118.700 -0.090 0.000 2.322 393 N HA 0.005 4.745 4.740 -0.000 0.000 0.194 393 N C -0.816 174.555 175.510 -0.231 0.000 1.126 393 N CA 0.246 53.219 53.050 -0.128 0.000 0.845 393 N CB 0.584 39.007 38.487 -0.107 0.000 0.976 393 N HN 0.115 nan 8.380 nan 0.000 0.475 394 K N 0.945 121.127 120.400 -0.365 0.000 3.311 394 K HA -0.174 4.146 4.320 -0.000 0.000 0.270 394 K C -0.460 175.806 176.600 -0.557 0.000 0.927 394 K CA 0.413 56.217 56.287 -0.805 0.000 0.706 394 K CB -1.542 30.576 32.500 -0.636 0.000 1.418 394 K HN 0.347 nan 8.250 nan 0.000 0.459 395 I N 1.899 122.268 120.570 -0.334 0.000 2.517 395 I HA -0.016 4.154 4.170 -0.000 0.000 0.285 395 I C 0.995 177.098 176.117 -0.023 0.000 1.106 395 I CA 0.040 61.221 61.300 -0.197 0.000 1.402 395 I CB 0.436 38.286 38.000 -0.250 0.000 1.399 395 I HN 0.078 nan 8.210 nan 0.000 0.535 396 E N 8.648 128.843 120.200 -0.008 0.000 2.229 396 E HA 0.289 4.639 4.350 -0.000 0.000 0.283 396 E C -2.069 174.538 176.600 0.011 0.000 1.030 396 E CA -1.714 54.721 56.400 0.060 0.000 0.836 396 E CB 0.761 30.489 29.700 0.047 0.000 1.068 396 E HN 0.351 nan 8.360 nan 0.000 0.401 397 P HA 0.029 nan 4.420 nan 0.000 0.274 397 P C -0.292 177.057 177.300 0.083 0.000 1.231 397 P CA -0.339 62.776 63.100 0.024 0.000 0.790 397 P CB 0.653 32.317 31.700 -0.059 0.000 0.951 398 Q N 1.217 121.068 119.800 0.085 0.000 2.421 398 Q HA 0.419 4.758 4.340 -0.000 0.000 0.255 398 Q C -0.090 175.953 176.000 0.072 0.000 1.013 398 Q CA -0.836 55.003 55.803 0.060 0.000 0.895 398 Q CB 0.121 28.880 28.738 0.035 0.000 1.271 398 Q HN 0.498 nan 8.270 nan 0.000 0.460 399 A N 3.165 125.977 122.820 -0.013 0.000 2.587 399 A HA 0.183 4.503 4.320 -0.000 0.000 0.235 399 A C -1.851 175.584 177.584 -0.248 0.000 1.044 399 A CA -0.902 51.064 52.037 -0.117 0.000 0.754 399 A CB -0.732 18.190 19.000 -0.129 0.000 0.968 399 A HN 0.704 nan 8.150 nan 0.000 0.509 400 P HA 0.181 nan 4.420 nan 0.000 0.267 400 P C -0.755 176.290 177.300 -0.423 0.000 1.200 400 P CA 0.069 62.700 63.100 -0.783 0.000 0.772 400 P CB 0.541 31.403 31.700 -1.397 0.000 0.855 401 V N 3.304 123.046 119.914 -0.288 0.000 2.326 401 V HA 0.133 4.253 4.120 -0.000 0.000 0.281 401 V C 0.015 176.029 176.094 -0.135 0.000 1.015 401 V CA -0.299 61.898 62.300 -0.172 0.000 0.823 401 V CB 1.087 32.840 31.823 -0.115 0.000 1.009 401 V HN 0.399 nan 8.190 nan 0.000 0.436 402 D N 4.978 125.314 120.400 -0.107 0.000 2.896 402 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 402 D C 0.163 176.424 176.300 -0.064 0.000 1.193 402 D CA 0.215 54.177 54.000 -0.064 0.000 0.983 402 D CB 0.392 41.181 40.800 -0.018 0.000 1.074 402 D HN 0.531 nan 8.370 nan 0.000 0.496 403 K N -0.110 120.241 120.400 -0.082 0.000 2.495 403 K HA 0.220 4.540 4.320 -0.000 0.000 0.268 403 K C -0.768 175.760 176.600 -0.120 0.000 1.008 403 K CA -0.989 55.248 56.287 -0.083 0.000 0.882 403 K CB 1.939 34.395 32.500 -0.073 0.000 1.443 403 K HN -0.151 nan 8.250 nan 0.000 0.447 404 D N 2.210 122.537 120.400 -0.122 0.000 2.349 404 D HA 0.032 4.672 4.640 -0.000 0.000 0.266 404 D C 0.718 176.893 176.300 -0.208 0.000 1.293 404 D CA 0.182 54.069 54.000 -0.188 0.000 0.926 404 D CB 0.522 41.247 40.800 -0.124 0.000 1.090 404 D HN 0.445 nan 8.370 nan 0.000 0.502 405 L N 3.805 124.830 121.223 -0.330 0.000 2.362 405 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 405 L C 1.308 178.113 176.870 -0.109 0.000 1.134 405 L CA 0.491 55.195 54.840 -0.226 0.000 0.807 405 L CB -0.367 41.562 42.059 -0.216 0.000 0.927 405 L HN 0.474 nan 8.230 nan 0.000 0.447 406 Y N -0.540 119.751 120.300 -0.016 0.000 2.457 406 Y HA -0.031 4.519 4.550 -0.000 0.000 0.292 406 Y C 2.090 177.977 175.900 -0.021 0.000 1.125 406 Y CA 0.040 58.128 58.100 -0.020 0.000 1.254 406 Y CB -0.260 38.174 38.460 -0.043 0.000 1.012 406 Y HN 0.132 nan 8.280 nan 0.000 0.555 407 E N 0.347 120.593 120.200 0.077 0.000 2.451 407 E HA 0.167 4.517 4.350 -0.000 0.000 0.194 407 E C -0.028 176.579 176.600 0.013 0.000 1.027 407 E CA -0.028 56.395 56.400 0.039 0.000 0.914 407 E CB 0.170 29.879 29.700 0.016 0.000 1.054 407 E HN 0.355 nan 8.360 nan 0.000 0.461 408 L N 3.461 124.691 121.223 0.011 0.000 2.453 408 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 408 L C -1.740 175.136 176.870 0.010 0.000 1.182 408 L CA -1.353 53.487 54.840 0.001 0.000 0.858 408 L CB -0.281 41.777 42.059 -0.001 0.000 1.120 408 L HN -0.189 nan 8.230 nan 0.000 0.474 409 P HA 0.011 nan 4.420 nan 0.000 0.265 409 P C -2.026 175.280 177.300 0.010 0.000 1.187 409 P CA -1.094 62.010 63.100 0.005 0.000 0.766 409 P CB -0.085 31.615 31.700 -0.000 0.000 0.820 410 P HA -0.153 nan 4.420 nan 0.000 0.218 410 P C 0.879 178.188 177.300 0.015 0.000 1.146 410 P CA 1.619 64.729 63.100 0.017 0.000 0.813 410 P CB 0.253 31.963 31.700 0.016 0.000 0.778 411 E N -0.740 119.466 120.200 0.010 0.000 2.415 411 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 411 E C 1.999 178.602 176.600 0.005 0.000 1.007 411 E CA -0.019 56.386 56.400 0.008 0.000 0.890 411 E CB 0.067 29.770 29.700 0.006 0.000 0.891 411 E HN 0.379 nan 8.360 nan 0.000 0.496 412 E N 1.001 121.203 120.200 0.003 0.000 2.122 412 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 412 E C 1.968 178.569 176.600 0.002 0.000 0.977 412 E CA 0.680 57.079 56.400 -0.002 0.000 0.820 412 E CB 0.101 29.797 29.700 -0.008 0.000 0.770 412 E HN 0.160 nan 8.360 nan 0.000 0.462 413 A N 1.256 124.081 122.820 0.009 0.000 1.969 413 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 413 A C 2.350 179.947 177.584 0.021 0.000 1.169 413 A CA 1.443 53.490 52.037 0.018 0.000 0.635 413 A CB -0.570 18.447 19.000 0.028 0.000 0.810 413 A HN 0.371 nan 8.150 nan 0.000 0.445 414 A N 0.385 123.216 122.820 0.018 0.000 1.978 414 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 414 A C 2.387 179.981 177.584 0.017 0.000 1.170 414 A CA 2.233 54.282 52.037 0.019 0.000 0.636 414 A CB -0.793 18.216 19.000 0.015 0.000 0.810 414 A HN 1.059 nan 8.150 nan 0.000 0.448 415 S N -1.142 114.565 115.700 0.012 0.000 2.558 415 S HA 0.275 4.745 4.470 -0.000 0.000 0.217 415 S C 0.450 175.058 174.600 0.014 0.000 0.975 415 S CA -0.222 57.984 58.200 0.010 0.000 0.912 415 S CB -0.435 62.767 63.200 0.003 0.000 0.776 415 S HN 0.374 nan 8.310 nan 0.000 0.526 416 I N 2.736 123.317 120.570 0.018 0.000 2.336 416 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 416 I C -2.643 173.496 176.117 0.036 0.000 0.991 416 I CA -2.865 58.450 61.300 0.025 0.000 1.227 416 I CB 1.447 39.460 38.000 0.022 0.000 1.366 416 I HN -0.071 nan 8.210 nan 0.000 0.466 417 P HA 0.021 nan 4.420 nan 0.000 0.264 417 P C -0.803 176.536 177.300 0.064 0.000 1.193 417 P CA -0.143 62.986 63.100 0.048 0.000 0.763 417 P CB 0.335 32.063 31.700 0.047 0.000 0.810 418 Q N 1.267 121.107 119.800 0.067 0.000 2.312 418 Q HA 0.219 4.559 4.340 -0.000 0.000 0.236 418 Q C 0.481 176.542 176.000 0.102 0.000 0.965 418 Q CA -0.081 55.772 55.803 0.084 0.000 0.894 418 Q CB 0.165 28.950 28.738 0.078 0.000 1.225 418 Q HN 0.474 nan 8.270 nan 0.000 0.478 419 T N -0.993 113.637 114.554 0.128 0.000 2.900 419 T HA 0.314 4.664 4.350 -0.000 0.000 0.307 419 T C -2.200 172.595 174.700 0.158 0.000 1.065 419 T CA -1.361 60.834 62.100 0.159 0.000 1.105 419 T CB -0.152 68.825 68.868 0.181 0.000 0.979 419 T HN 0.240 nan 8.240 nan 0.000 0.544 420 P HA 0.159 nan 4.420 nan 0.000 0.267 420 P C 0.848 178.225 177.300 0.129 0.000 1.200 420 P CA -0.242 62.930 63.100 0.120 0.000 0.772 420 P CB 0.270 32.037 31.700 0.112 0.000 0.855 421 T N 0.060 114.624 114.554 0.017 0.000 2.896 421 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 421 T C 0.611 175.263 174.700 -0.079 0.000 1.050 421 T CA 0.992 63.107 62.100 0.024 0.000 1.140 421 T CB -0.099 68.772 68.868 0.004 0.000 0.877 421 T HN 0.629 nan 8.240 nan 0.000 0.457 422 Q N -0.689 118.887 119.800 -0.372 0.000 2.482 422 Q HA 0.476 4.816 4.340 -0.000 0.000 0.286 422 Q C 0.260 175.732 176.000 -0.880 0.000 1.007 422 Q CA -0.799 54.675 55.803 -0.548 0.000 0.801 422 Q CB 1.148 29.761 28.738 -0.208 0.000 1.455 422 Q HN -0.020 nan 8.270 nan 0.000 0.398 423 L N 2.038 122.813 121.223 -0.746 0.000 2.079 423 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 423 L C 2.317 179.062 176.870 -0.209 0.000 1.081 423 L CA 3.072 57.673 54.840 -0.398 0.000 0.752 423 L CB -0.608 41.427 42.059 -0.040 0.000 0.896 423 L HN 0.932 nan 8.230 nan 0.000 0.433 424 S N -1.678 113.924 115.700 -0.165 0.000 2.400 424 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 424 S C 1.726 176.274 174.600 -0.086 0.000 1.025 424 S CA 1.234 59.375 58.200 -0.098 0.000 0.993 424 S CB -0.744 62.410 63.200 -0.077 0.000 0.808 424 S HN 0.527 nan 8.310 nan 0.000 0.478 425 D N 1.759 122.085 120.400 -0.123 0.000 2.097 425 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 425 D C 2.339 178.613 176.300 -0.045 0.000 0.984 425 D CA 1.701 55.652 54.000 -0.081 0.000 0.826 425 D CB -0.654 40.089 40.800 -0.095 0.000 0.973 425 D HN 0.548 nan 8.370 nan 0.000 0.460 426 V N -0.820 119.057 119.914 -0.061 0.000 2.548 426 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 426 V C 2.210 178.327 176.094 0.040 0.000 1.055 426 V CA 0.805 63.120 62.300 0.025 0.000 1.065 426 V CB -0.458 31.423 31.823 0.097 0.000 0.681 426 V HN 0.015 nan 8.190 nan 0.000 0.462 427 I N 1.234 121.812 120.570 0.012 0.000 2.252 427 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 427 I C 2.416 178.552 176.117 0.032 0.000 1.102 427 I CA 1.786 63.099 61.300 0.022 0.000 1.385 427 I CB -1.338 36.658 38.000 -0.006 0.000 1.064 427 I HN 0.323 nan 8.210 nan 0.000 0.414 428 D N 0.539 120.949 120.400 0.018 0.000 2.104 428 D HA -0.223 4.417 4.640 -0.000 0.000 0.194 428 D C 2.300 178.632 176.300 0.053 0.000 0.994 428 D CA 1.235 55.252 54.000 0.028 0.000 0.830 428 D CB -0.184 40.623 40.800 0.011 0.000 0.959 428 D HN 0.083 nan 8.370 nan 0.000 0.452 429 R N 0.339 120.872 120.500 0.055 0.000 2.090 429 R HA -0.014 4.326 4.340 -0.000 0.000 0.228 429 R C 2.084 178.455 176.300 0.119 0.000 1.110 429 R CA 0.512 56.658 56.100 0.075 0.000 0.973 429 R CB -0.823 29.517 30.300 0.066 0.000 0.869 429 R HN 0.177 nan 8.270 nan 0.000 0.440 430 L N 0.979 122.273 121.223 0.118 0.000 2.046 430 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 430 L C 2.073 179.076 176.870 0.221 0.000 1.077 430 L CA 2.144 57.073 54.840 0.148 0.000 0.747 430 L CB -0.623 41.475 42.059 0.064 0.000 0.896 430 L HN 0.396 nan 8.230 nan 0.000 0.432 431 E N -0.787 119.510 120.200 0.161 0.000 2.106 431 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 431 E C 2.006 178.753 176.600 0.245 0.000 0.984 431 E CA 1.055 57.567 56.400 0.186 0.000 0.806 431 E CB -0.113 29.649 29.700 0.103 0.000 0.750 431 E HN 0.627 nan 8.360 nan 0.000 0.458 432 A N 0.260 123.176 122.820 0.159 0.000 1.970 432 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 432 A C 0.620 178.239 177.584 0.058 0.000 1.170 432 A CA 1.097 53.193 52.037 0.097 0.000 0.645 432 A CB 0.232 19.273 19.000 0.068 0.000 0.816 432 A HN 0.281 nan 8.150 nan 0.000 0.447 433 D N -1.218 119.244 120.400 0.102 0.000 2.386 433 D HA 0.268 4.908 4.640 -0.000 0.000 0.247 433 D C -0.263 176.124 176.300 0.145 0.000 1.336 433 D CA -0.443 53.591 54.000 0.056 0.000 0.976 433 D CB 0.371 41.233 40.800 0.104 0.000 1.257 433 D HN 0.427 nan 8.370 nan 0.000 0.570 434 H N 2.019 121.130 119.070 0.068 0.000 3.007 434 H HA 0.265 4.821 4.556 -0.000 0.000 0.251 434 H C 0.164 175.379 175.328 -0.189 0.000 1.188 434 H CA -0.338 55.656 56.048 -0.090 0.000 1.017 434 H CB 0.359 30.052 29.762 -0.115 0.000 1.805 434 H HN 0.204 nan 8.280 nan 0.000 0.659 435 E N 1.684 121.810 120.200 -0.123 0.000 2.110 435 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 435 E C 1.737 178.306 176.600 -0.051 0.000 0.988 435 E CA 1.381 57.737 56.400 -0.074 0.000 0.804 435 E CB -0.466 29.220 29.700 -0.025 0.000 0.745 435 E HN 0.789 nan 8.360 nan 0.000 0.458 436 Y N -0.147 120.075 120.300 -0.130 0.000 2.274 436 Y HA -0.075 4.475 4.550 -0.000 0.000 0.290 436 Y C 2.118 177.902 175.900 -0.193 0.000 1.145 436 Y CA 0.759 58.747 58.100 -0.187 0.000 1.203 436 Y CB -0.766 37.440 38.460 -0.424 0.000 0.984 436 Y HN -0.097 nan 8.280 nan 0.000 0.533 437 L N 0.707 121.427 121.223 -0.838 0.000 2.179 437 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 437 L C 2.416 179.139 176.870 -0.245 0.000 1.096 437 L CA 1.559 55.977 54.840 -0.704 0.000 0.779 437 L CB -0.675 40.731 42.059 -1.087 0.000 0.922 437 L HN 0.461 nan 8.230 nan 0.000 0.443 438 T N -3.869 110.583 114.554 -0.169 0.000 3.129 438 T HA 0.051 4.401 4.350 -0.000 0.000 0.251 438 T C 0.701 175.331 174.700 -0.118 0.000 1.117 438 T CA -0.247 61.812 62.100 -0.068 0.000 1.034 438 T CB -0.238 68.635 68.868 0.008 0.000 0.968 438 T HN 0.059 nan 8.240 nan 0.000 0.526 439 E N 1.671 121.759 120.200 -0.187 0.000 2.465 439 E HA 0.284 4.634 4.350 -0.000 0.000 0.260 439 E C 1.422 177.747 176.600 -0.460 0.000 0.980 439 E CA 0.888 57.138 56.400 -0.249 0.000 0.927 439 E CB 0.392 29.943 29.700 -0.249 0.000 0.934 439 E HN 0.564 nan 8.360 nan 0.000 0.459 440 G N 2.970 111.634 108.800 -0.228 0.000 2.166 440 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 440 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 440 G C 0.940 175.772 174.900 -0.113 0.000 0.986 440 G CA 0.654 45.685 45.100 -0.116 0.000 0.683 440 G HN 1.184 nan 8.290 nan 0.000 0.527 441 G N -2.235 106.490 108.800 -0.125 0.000 2.179 441 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.257 441 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.257 441 G C 1.371 176.192 174.900 -0.132 0.000 1.010 441 G CA 1.189 46.231 45.100 -0.096 0.000 0.736 441 G HN 1.474 nan 8.290 nan 0.000 0.513 442 V N -1.016 118.790 119.914 -0.180 0.000 2.233 442 V HA 0.042 4.162 4.120 -0.000 0.000 0.247 442 V C 1.557 177.469 176.094 -0.302 0.000 1.050 442 V CA 1.947 64.121 62.300 -0.210 0.000 1.010 442 V CB -0.441 31.268 31.823 -0.189 0.000 0.637 442 V HN 0.361 nan 8.190 nan 0.000 0.444 443 F N 0.158 119.955 119.950 -0.255 0.000 2.422 443 F HA 0.495 5.022 4.527 -0.000 0.000 0.333 443 F C 0.653 176.346 175.800 -0.179 0.000 1.095 443 F CA -0.557 57.294 58.000 -0.248 0.000 1.038 443 F CB 1.458 40.272 39.000 -0.308 0.000 1.156 443 F HN 0.027 nan 8.300 nan 0.000 0.483 444 T N -1.461 113.091 114.554 -0.003 0.000 2.950 444 T HA 0.293 4.643 4.350 -0.000 0.000 0.288 444 T C 0.749 175.455 174.700 0.010 0.000 1.035 444 T CA -0.945 61.147 62.100 -0.014 0.000 1.028 444 T CB 1.336 70.167 68.868 -0.062 0.000 1.109 444 T HN 0.399 nan 8.240 nan 0.000 0.514 445 N N 1.529 120.236 118.700 0.013 0.000 2.166 445 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 445 N C 1.689 177.201 175.510 0.004 0.000 1.019 445 N CA 1.593 54.650 53.050 0.011 0.000 0.856 445 N CB -0.429 38.087 38.487 0.048 0.000 0.993 445 N HN 0.864 nan 8.380 nan 0.000 0.426 446 D N 0.871 121.272 120.400 0.002 0.000 2.144 446 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 446 D C 2.071 178.385 176.300 0.022 0.000 0.984 446 D CA 0.552 54.556 54.000 0.006 0.000 0.834 446 D CB -0.585 40.203 40.800 -0.019 0.000 0.955 446 D HN 0.276 nan 8.370 nan 0.000 0.465 447 L N 0.192 121.420 121.223 0.009 0.000 2.005 447 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 447 L C 2.757 179.739 176.870 0.186 0.000 1.072 447 L CA 0.857 55.735 54.840 0.063 0.000 0.744 447 L CB -0.176 41.886 42.059 0.006 0.000 0.895 447 L HN -0.081 nan 8.230 nan 0.000 0.433 448 I N -0.129 120.523 120.570 0.136 0.000 2.179 448 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 448 I C 2.370 178.555 176.117 0.113 0.000 1.088 448 I CA 1.540 62.910 61.300 0.117 0.000 1.357 448 I CB -0.291 37.612 38.000 -0.161 0.000 1.051 448 I HN 0.329 nan 8.210 nan 0.000 0.409 449 E N 0.127 120.361 120.200 0.058 0.000 2.106 449 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 449 E C 2.126 178.805 176.600 0.131 0.000 0.984 449 E CA 1.748 58.191 56.400 0.073 0.000 0.806 449 E CB -0.069 29.661 29.700 0.051 0.000 0.750 449 E HN 0.448 nan 8.360 nan 0.000 0.458 450 T N 0.605 115.259 114.554 0.166 0.000 2.746 450 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 450 T C 1.239 176.109 174.700 0.283 0.000 1.039 450 T CA 0.877 63.100 62.100 0.206 0.000 1.142 450 T CB -0.304 68.682 68.868 0.196 0.000 0.866 450 T HN 0.409 nan 8.240 nan 0.000 0.444 451 W N 1.616 122.986 121.300 0.117 0.000 2.355 451 W HA -0.114 4.546 4.660 -0.000 0.000 0.309 451 W C 1.882 178.457 176.519 0.093 0.000 1.206 451 W CA 0.974 58.389 57.345 0.117 0.000 1.284 451 W CB -0.507 29.020 29.460 0.112 0.000 1.145 451 W HN 0.233 nan 8.180 nan 0.000 0.502 452 I N 0.381 121.079 120.570 0.213 0.000 2.163 452 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 452 I C 2.847 178.981 176.117 0.029 0.000 1.085 452 I CA 1.817 63.163 61.300 0.078 0.000 1.347 452 I CB -0.932 37.116 38.000 0.080 0.000 1.044 452 I HN -0.115 nan 8.210 nan 0.000 0.408 453 S N 0.343 116.086 115.700 0.071 0.000 2.356 453 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 453 S C 2.057 176.675 174.600 0.030 0.000 1.032 453 S CA 1.478 59.709 58.200 0.053 0.000 1.005 453 S CB -0.448 62.803 63.200 0.085 0.000 0.867 453 S HN 0.426 nan 8.310 nan 0.000 0.449 454 F N 2.323 122.227 119.950 -0.076 0.000 2.102 454 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 454 F C 2.229 177.916 175.800 -0.188 0.000 1.105 454 F CA 1.609 59.535 58.000 -0.123 0.000 1.239 454 F CB -0.192 38.717 39.000 -0.151 0.000 0.991 454 F HN 0.090 nan 8.300 nan 0.000 0.474 455 K N 0.402 120.731 120.400 -0.119 0.000 2.057 455 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 455 K C 2.199 178.684 176.600 -0.191 0.000 1.050 455 K CA 1.327 57.493 56.287 -0.201 0.000 0.935 455 K CB -0.537 31.818 32.500 -0.243 0.000 0.715 455 K HN 0.342 nan 8.250 nan 0.000 0.439 456 R N 0.962 121.377 120.500 -0.141 0.000 2.073 456 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 456 R C 2.285 178.502 176.300 -0.139 0.000 1.134 456 R CA 1.536 57.570 56.100 -0.110 0.000 0.952 456 R CB -0.110 30.150 30.300 -0.066 0.000 0.850 456 R HN 0.322 nan 8.270 nan 0.000 0.433 457 E N -0.287 119.808 120.200 -0.175 0.000 2.170 457 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 457 E C 1.392 177.842 176.600 -0.249 0.000 0.981 457 E CA 0.613 56.907 56.400 -0.177 0.000 0.830 457 E CB 0.198 29.810 29.700 -0.147 0.000 0.775 457 E HN 0.313 nan 8.360 nan 0.000 0.470 458 N N -0.146 118.302 118.700 -0.421 0.000 2.322 458 N HA 0.033 4.773 4.740 -0.000 0.000 0.181 458 N C 0.888 176.192 175.510 -0.345 0.000 1.088 458 N CA 0.506 53.258 53.050 -0.498 0.000 0.885 458 N CB 0.715 38.574 38.487 -1.047 0.000 1.013 458 N HN 0.204 nan 8.380 nan 0.000 0.472 459 E N 0.115 120.150 120.200 -0.275 0.000 3.100 459 E HA 0.246 4.596 4.350 -0.000 0.000 0.191 459 E C 1.651 178.184 176.600 -0.113 0.000 1.097 459 E CA -0.210 56.090 56.400 -0.167 0.000 1.339 459 E CB 0.438 30.055 29.700 -0.139 0.000 1.330 459 E HN -0.029 nan 8.360 nan 0.000 0.511 460 I N 2.090 122.595 120.570 -0.108 0.000 2.142 460 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 460 I C 2.671 178.750 176.117 -0.064 0.000 1.078 460 I CA 1.514 62.769 61.300 -0.074 0.000 1.343 460 I CB -0.098 37.858 38.000 -0.073 0.000 1.046 460 I HN 0.171 nan 8.210 nan 0.000 0.405 461 E N 0.944 121.099 120.200 -0.075 0.000 2.047 461 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 461 E C -0.558 176.011 176.600 -0.051 0.000 0.987 461 E CA 1.230 57.595 56.400 -0.058 0.000 0.799 461 E CB -0.640 29.023 29.700 -0.062 0.000 0.752 461 E HN 0.280 nan 8.360 nan 0.000 0.449 462 P HA -0.155 nan 4.420 nan 0.000 0.216 462 P C 1.342 178.620 177.300 -0.037 0.000 1.150 462 P CA 1.061 64.128 63.100 -0.055 0.000 0.837 462 P CB 0.084 31.737 31.700 -0.079 0.000 0.786 463 V N -0.304 119.586 119.914 -0.039 0.000 2.453 463 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 463 V C 2.042 178.140 176.094 0.007 0.000 1.048 463 V CA 1.754 64.043 62.300 -0.018 0.000 1.049 463 V CB -1.214 30.596 31.823 -0.020 0.000 0.672 463 V HN 0.092 nan 8.190 nan 0.000 0.457 464 N N 0.799 119.497 118.700 -0.002 0.000 2.223 464 N HA -0.101 4.639 4.740 -0.000 0.000 0.185 464 N C 1.711 177.230 175.510 0.015 0.000 1.016 464 N CA 1.803 54.857 53.050 0.007 0.000 0.863 464 N CB -0.327 38.155 38.487 -0.009 0.000 0.983 464 N HN 0.730 nan 8.380 nan 0.000 0.429 465 I N -2.493 118.083 120.570 0.009 0.000 3.419 465 I HA 0.128 4.298 4.170 -0.000 0.000 0.286 465 I C 0.041 176.179 176.117 0.035 0.000 1.268 465 I CA 0.193 61.502 61.300 0.015 0.000 1.414 465 I CB 0.087 38.089 38.000 0.004 0.000 1.074 465 I HN -0.198 nan 8.210 nan 0.000 0.457 466 R N 2.855 123.380 120.500 0.043 0.000 2.202 466 R HA 0.418 4.758 4.340 -0.000 0.000 0.334 466 R C -2.277 174.089 176.300 0.111 0.000 1.036 466 R CA -1.782 54.357 56.100 0.066 0.000 0.878 466 R CB 0.359 30.684 30.300 0.042 0.000 1.067 466 R HN 0.067 nan 8.270 nan 0.000 0.457 467 P HA -0.126 nan 4.420 nan 0.000 0.264 467 P C -0.758 176.720 177.300 0.296 0.000 1.183 467 P CA 0.371 63.616 63.100 0.242 0.000 0.763 467 P CB 0.421 32.326 31.700 0.342 0.000 0.807 468 H N 5.028 124.228 119.070 0.217 0.000 2.548 468 H HA 0.152 4.708 4.556 -0.000 0.000 0.331 468 H C -1.611 173.906 175.328 0.316 0.000 1.093 468 H CA -2.049 54.123 56.048 0.207 0.000 1.367 468 H CB 1.108 30.963 29.762 0.156 0.000 1.455 468 H HN 0.231 nan 8.280 nan 0.000 0.519 469 P HA -0.204 nan 4.420 nan 0.000 0.217 469 P C 1.064 178.662 177.300 0.496 0.000 1.151 469 P CA 1.249 64.553 63.100 0.340 0.000 0.849 469 P CB -0.128 31.649 31.700 0.129 0.000 0.787 470 Y N 0.679 121.284 120.300 0.509 0.000 2.497 470 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 470 Y C 1.964 177.901 175.900 0.062 0.000 1.137 470 Y CA 1.180 59.395 58.100 0.192 0.000 1.285 470 Y CB -0.532 37.926 38.460 -0.004 0.000 0.991 470 Y HN 0.065 nan 8.280 nan 0.000 0.556 471 E N -1.173 119.130 120.200 0.172 0.000 2.204 471 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 471 E C 1.640 178.172 176.600 -0.114 0.000 0.989 471 E CA 1.126 57.536 56.400 0.016 0.000 0.824 471 E CB -0.274 29.524 29.700 0.163 0.000 0.756 471 E HN 0.480 nan 8.360 nan 0.000 0.477 472 F N 0.626 120.594 119.950 0.030 0.000 2.234 472 F HA -0.029 4.498 4.527 -0.000 0.000 0.296 472 F C 2.424 178.183 175.800 -0.068 0.000 1.089 472 F CA 0.694 58.724 58.000 0.051 0.000 1.343 472 F CB -0.282 38.758 39.000 0.066 0.000 1.040 472 F HN 0.003 nan 8.300 nan 0.000 0.498 473 A N 0.413 123.197 122.820 -0.060 0.000 1.908 473 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 473 A C 2.175 179.520 177.584 -0.398 0.000 1.181 473 A CA 1.596 53.471 52.037 -0.270 0.000 0.627 473 A CB -1.064 17.633 19.000 -0.505 0.000 0.818 473 A HN 0.395 nan 8.150 nan 0.000 0.445 474 L N -2.909 117.924 121.223 -0.650 0.000 2.131 474 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 474 L C 1.736 178.277 176.870 -0.548 0.000 1.087 474 L CA 1.063 55.429 54.840 -0.790 0.000 0.767 474 L CB -0.183 41.042 42.059 -1.390 0.000 0.917 474 L HN 0.530 nan 8.230 nan 0.000 0.441 475 Y N -4.148 116.086 120.300 -0.109 0.000 2.563 475 Y HA 0.081 4.631 4.550 -0.000 0.000 0.250 475 Y C 1.687 177.542 175.900 -0.076 0.000 1.126 475 Y CA -1.289 56.747 58.100 -0.106 0.000 1.231 475 Y CB -0.593 37.769 38.460 -0.164 0.000 1.288 475 Y HN -0.034 nan 8.280 nan 0.000 0.537 476 Y N 2.669 122.972 120.300 0.005 0.000 2.207 476 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 476 Y C 1.527 177.444 175.900 0.030 0.000 1.156 476 Y CA 2.165 60.283 58.100 0.029 0.000 1.182 476 Y CB 0.060 38.579 38.460 0.098 0.000 0.979 476 Y HN 0.229 nan 8.280 nan 0.000 0.521 477 D N 0.079 120.540 120.400 0.101 0.000 2.395 477 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 477 D C 0.562 176.860 176.300 -0.003 0.000 1.146 477 D CA 0.368 54.391 54.000 0.037 0.000 0.830 477 D CB -1.330 39.534 40.800 0.107 0.000 0.958 477 D HN 0.212 nan 8.370 nan 0.000 0.501 478 V N 0.000 119.904 119.914 -0.017 0.000 2.409 478 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 478 V CA 0.000 62.294 62.300 -0.009 0.000 1.235 478 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556