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 3i4j_1_C DATA FIRST_RESID 3 DATA SEQUENCE NVFYRSSKPY PVAVRGEGVF LYDDAGRRYL DGSSGALVAN IGHGRAEVGE DATA SEQUENCE RMAAQAARLP FVHGSQFSSD VLEEYAGRLA RFVGLPTFRF WAVSGGSEAT DATA SEQUENCE ESAVKLARQY HVERGEPGRF KVITRVPSXX XXXXXXXXXX XXXXXRELYT DATA SEQUENCE PLMRPEAWPK LPKPDPARNG AEDAEGLRAL LEREGPETVA AFMAEPVVGA DATA SEQUENCE SDAALAPAPG YYERVRDICD EAGIIFIADE VMSGMGRCGS PLALSRWSGV DATA SEQUENCE TPDIAVLGKG LAAGYAPLAG LLAAPQVYET VMGGXXXFMH GFTYAGHPVS DATA SEQUENCE VAAGLSVLDI VEREDLTGAA KERGAQLLAG LQALQARFPQ MMQVRGTGLL DATA SEQUENCE LGVVLGDLXX XXXXXXXXIA SRIGAAALKR GLITYXXXXX XXXXXXDHLL DATA SEQUENCE LGPPLSITAA EVDGLLALLA GALEDVL 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.419 175.510 -0.152 0.000 1.280 3 N CA 0.000 52.998 53.050 -0.087 0.000 0.885 3 N CB 0.000 38.455 38.487 -0.053 0.000 1.341 4 V N 1.597 121.339 119.914 -0.287 0.000 2.498 4 V HA 0.275 4.396 4.120 0.001 0.000 0.279 4 V C -0.146 175.612 176.094 -0.559 0.000 1.048 4 V CA -0.271 61.755 62.300 -0.456 0.000 0.967 4 V CB 0.793 32.204 31.823 -0.688 0.000 0.988 4 V HN 0.221 nan 8.190 nan 0.000 0.473 5 F N 6.088 125.779 119.950 -0.431 0.000 2.423 5 F HA 0.416 4.943 4.527 0.001 0.000 0.356 5 F C -0.001 175.612 175.800 -0.312 0.000 1.170 5 F CA -0.711 57.114 58.000 -0.291 0.000 1.163 5 F CB 0.002 38.905 39.000 -0.162 0.000 1.318 5 F HN 0.447 nan 8.300 nan 0.000 0.569 6 Y N 4.178 124.554 120.300 0.128 0.000 2.379 6 Y HA 0.146 4.697 4.550 0.001 0.000 0.337 6 Y C 1.619 177.564 175.900 0.074 0.000 1.238 6 Y CA -0.354 57.712 58.100 -0.057 0.000 1.405 6 Y CB 0.487 38.905 38.460 -0.069 0.000 1.310 6 Y HN 0.484 nan 8.280 nan 0.000 0.569 7 R N 0.423 120.939 120.500 0.027 0.000 2.189 7 R HA -0.028 4.313 4.340 0.001 0.000 0.223 7 R C 0.106 176.553 176.300 0.246 0.000 1.092 7 R CA 1.191 57.359 56.100 0.113 0.000 0.989 7 R CB -0.068 30.248 30.300 0.027 0.000 0.876 7 R HN 0.737 nan 8.270 nan 0.000 0.457 8 S N -2.280 113.646 115.700 0.377 0.000 2.661 8 S HA 0.092 4.562 4.470 0.001 0.000 0.268 8 S C 0.452 175.233 174.600 0.302 0.000 1.162 8 S CA -0.430 57.955 58.200 0.308 0.000 0.817 8 S CB 1.280 64.626 63.200 0.245 0.000 1.141 8 S HN 0.025 nan 8.310 nan 0.000 0.477 9 S N -0.052 115.736 115.700 0.146 0.000 2.603 9 S HA 0.105 4.576 4.470 0.001 0.000 0.220 9 S C 0.637 175.231 174.600 -0.009 0.000 0.967 9 S CA 0.050 58.295 58.200 0.075 0.000 0.920 9 S CB -0.966 62.255 63.200 0.036 0.000 0.773 9 S HN 0.918 nan 8.310 nan 0.000 0.529 10 K N 2.107 122.463 120.400 -0.075 0.000 2.180 10 K HA 0.348 4.668 4.320 0.001 0.000 0.251 10 K C -2.735 173.626 176.600 -0.397 0.000 1.014 10 K CA -1.642 54.497 56.287 -0.247 0.000 0.913 10 K CB -0.510 31.782 32.500 -0.347 0.000 1.008 10 K HN 0.028 nan 8.250 nan 0.000 0.490 11 P HA 0.047 nan 4.420 nan 0.000 0.281 11 P C -1.481 175.520 177.300 -0.498 0.000 1.252 11 P CA -0.087 62.811 63.100 -0.336 0.000 0.778 11 P CB 0.214 31.796 31.700 -0.197 0.000 0.895 12 Y N 3.510 123.629 120.300 -0.302 0.000 2.342 12 Y HA 0.344 4.894 4.550 0.001 0.000 0.338 12 Y C -1.494 174.315 175.900 -0.151 0.000 0.965 12 Y CA -2.010 55.952 58.100 -0.230 0.000 1.159 12 Y CB 0.373 38.660 38.460 -0.288 0.000 1.157 12 Y HN 0.327 nan 8.280 nan 0.000 0.486 13 P HA 0.110 nan 4.420 nan 0.000 0.269 13 P C -0.974 176.361 177.300 0.059 0.000 1.209 13 P CA -0.319 62.799 63.100 0.029 0.000 0.776 13 P CB 0.751 32.461 31.700 0.018 0.000 0.876 14 V N 2.525 122.481 119.914 0.070 0.000 2.334 14 V HA 0.422 4.543 4.120 0.001 0.000 0.267 14 V C 0.578 176.712 176.094 0.067 0.000 1.040 14 V CA -0.738 61.608 62.300 0.077 0.000 0.866 14 V CB 0.355 32.227 31.823 0.082 0.000 1.019 14 V HN 0.726 nan 8.190 nan 0.000 0.468 15 A N 4.480 127.326 122.820 0.043 0.000 2.425 15 A HA 0.535 4.856 4.320 0.001 0.000 0.249 15 A C 0.886 178.501 177.584 0.052 0.000 1.084 15 A CA 0.322 52.384 52.037 0.041 0.000 0.781 15 A CB 0.909 19.901 19.000 -0.013 0.000 1.019 15 A HN 1.404 nan 8.150 nan 0.000 0.490 16 V N -0.502 119.459 119.914 0.078 0.000 3.480 16 V HA 0.479 4.599 4.120 0.001 0.000 0.263 16 V C 0.421 176.551 176.094 0.059 0.000 1.442 16 V CA 0.581 62.917 62.300 0.060 0.000 1.053 16 V CB -0.689 31.169 31.823 0.058 0.000 0.846 16 V HN 0.912 nan 8.190 nan 0.000 0.440 17 R N -0.168 120.396 120.500 0.108 0.000 2.643 17 R HA 0.644 4.985 4.340 0.001 0.000 0.269 17 R C -1.101 175.326 176.300 0.211 0.000 1.037 17 R CA 0.079 56.248 56.100 0.116 0.000 0.894 17 R CB 2.049 32.365 30.300 0.026 0.000 1.238 17 R HN 0.410 nan 8.270 nan 0.000 0.459 18 G N 2.172 111.068 108.800 0.161 0.000 2.723 18 G HA2 0.455 4.415 3.960 0.001 0.000 0.295 18 G HA3 0.455 4.415 3.960 0.001 0.000 0.295 18 G C -1.408 173.664 174.900 0.286 0.000 1.464 18 G CA -0.418 44.770 45.100 0.146 0.000 1.012 18 G HN 0.522 nan 8.290 nan 0.000 0.522 19 E N 1.913 122.357 120.200 0.408 0.000 2.255 19 E HA 0.521 4.871 4.350 0.001 0.000 0.256 19 E C 0.777 177.614 176.600 0.394 0.000 0.887 19 E CA -0.160 56.467 56.400 0.377 0.000 0.782 19 E CB 2.114 32.045 29.700 0.386 0.000 1.214 19 E HN 1.044 nan 8.360 nan 0.000 0.417 20 G N 1.758 110.731 108.800 0.288 0.000 2.596 20 G HA2 -0.381 3.579 3.960 0.001 0.000 0.304 20 G HA3 -0.381 3.579 3.960 0.001 0.000 0.304 20 G C 0.891 175.878 174.900 0.146 0.000 1.189 20 G CA 0.387 45.605 45.100 0.196 0.000 0.986 20 G HN 0.870 nan 8.290 nan 0.000 0.548 21 V N -1.845 118.043 119.914 -0.042 0.000 3.633 21 V HA 0.684 4.805 4.120 0.001 0.000 0.283 21 V C 0.593 176.464 176.094 -0.372 0.000 1.305 21 V CA 0.506 62.665 62.300 -0.235 0.000 1.153 21 V CB -0.778 30.783 31.823 -0.436 0.000 0.950 21 V HN 0.579 nan 8.190 nan 0.000 0.432 22 F N 0.319 120.355 119.950 0.144 0.000 2.507 22 F HA 0.799 5.327 4.527 0.001 0.000 0.327 22 F C -0.096 175.655 175.800 -0.082 0.000 1.068 22 F CA -1.130 56.862 58.000 -0.014 0.000 0.965 22 F CB 1.844 40.763 39.000 -0.135 0.000 1.192 22 F HN -0.129 nan 8.300 nan 0.000 0.476 23 L N 2.120 123.345 121.223 0.004 0.000 2.354 23 L HA 0.554 4.895 4.340 0.001 0.000 0.269 23 L C -1.488 175.329 176.870 -0.088 0.000 1.005 23 L CA -0.971 53.850 54.840 -0.032 0.000 0.819 23 L CB 2.219 44.224 42.059 -0.089 0.000 1.311 23 L HN 0.550 nan 8.230 nan 0.000 0.423 24 Y N -0.078 120.313 120.300 0.152 0.000 2.425 24 Y HA 0.354 4.904 4.550 0.001 0.000 0.344 24 Y C -0.275 175.711 175.900 0.144 0.000 0.969 24 Y CA -1.169 57.023 58.100 0.154 0.000 1.052 24 Y CB 1.805 40.309 38.460 0.072 0.000 1.215 24 Y HN 0.594 nan 8.280 nan 0.000 0.451 25 D N -0.608 119.984 120.400 0.319 0.000 2.487 25 D HA 0.110 4.751 4.640 0.001 0.000 0.262 25 D C 0.160 176.552 176.300 0.154 0.000 1.130 25 D CA -0.783 53.349 54.000 0.221 0.000 1.038 25 D CB 0.584 41.536 40.800 0.253 0.000 1.142 25 D HN 0.562 nan 8.370 nan 0.000 0.575 26 D N -1.661 118.804 120.400 0.108 0.000 2.346 26 D HA 0.138 4.778 4.640 0.001 0.000 0.248 26 D C 0.633 176.971 176.300 0.063 0.000 1.173 26 D CA -0.099 53.946 54.000 0.076 0.000 0.878 26 D CB -0.425 40.411 40.800 0.060 0.000 0.919 26 D HN 0.402 nan 8.370 nan 0.000 0.513 27 A N -0.928 121.936 122.820 0.074 0.000 2.508 27 A HA 0.626 4.946 4.320 0.001 0.000 0.250 27 A C 1.804 179.414 177.584 0.043 0.000 1.208 27 A CA 0.151 52.217 52.037 0.049 0.000 0.960 27 A CB 0.110 19.137 19.000 0.045 0.000 1.099 27 A HN 0.473 nan 8.150 nan 0.000 0.542 28 G N 0.010 108.853 108.800 0.072 0.000 2.205 28 G HA2 -0.280 3.681 3.960 0.001 0.000 0.261 28 G HA3 -0.280 3.681 3.960 0.001 0.000 0.261 28 G C 0.419 175.358 174.900 0.066 0.000 0.980 28 G CA 0.337 45.484 45.100 0.078 0.000 0.632 28 G HN 0.606 nan 8.290 nan 0.000 0.533 29 R N 0.341 120.846 120.500 0.009 0.000 2.623 29 R HA 0.416 4.756 4.340 0.001 0.000 0.271 29 R C 0.646 176.807 176.300 -0.232 0.000 1.043 29 R CA 0.055 56.058 56.100 -0.162 0.000 1.083 29 R CB 0.515 30.658 30.300 -0.263 0.000 0.974 29 R HN 0.362 nan 8.270 nan 0.000 0.436 30 R N 2.412 122.669 120.500 -0.405 0.000 2.637 30 R HA 0.328 4.669 4.340 0.001 0.000 0.291 30 R C -1.389 174.617 176.300 -0.491 0.000 0.963 30 R CA -0.561 55.262 56.100 -0.461 0.000 0.901 30 R CB 1.042 31.068 30.300 -0.456 0.000 1.160 30 R HN 0.515 nan 8.270 nan 0.000 0.457 31 Y N 2.792 123.012 120.300 -0.134 0.000 2.462 31 Y HA 0.360 4.910 4.550 0.001 0.000 0.346 31 Y C -0.388 175.577 175.900 0.108 0.000 0.976 31 Y CA -0.945 57.150 58.100 -0.009 0.000 1.044 31 Y CB 1.985 40.420 38.460 -0.040 0.000 1.230 31 Y HN 0.363 nan 8.280 nan 0.000 0.455 32 L N 3.148 124.522 121.223 0.252 0.000 2.265 32 L HA 0.345 4.685 4.340 0.001 0.000 0.288 32 L C -0.241 176.633 176.870 0.007 0.000 1.058 32 L CA -0.457 54.404 54.840 0.035 0.000 0.809 32 L CB 0.603 42.677 42.059 0.025 0.000 1.179 32 L HN 0.669 nan 8.230 nan 0.000 0.429 33 D N 3.773 124.143 120.400 -0.050 0.000 2.545 33 D HA 0.099 4.739 4.640 0.001 0.000 0.227 33 D C 1.236 177.532 176.300 -0.006 0.000 1.150 33 D CA 0.200 54.206 54.000 0.011 0.000 1.046 33 D CB 1.023 41.890 40.800 0.113 0.000 1.098 33 D HN 0.752 nan 8.370 nan 0.000 0.502 34 G N 1.083 109.885 108.800 0.003 0.000 2.498 34 G HA2 -0.195 3.765 3.960 0.001 0.000 0.219 34 G HA3 -0.195 3.765 3.960 0.001 0.000 0.219 34 G C 1.107 176.026 174.900 0.032 0.000 1.119 34 G CA 0.840 45.945 45.100 0.007 0.000 0.766 34 G HN 0.465 nan 8.290 nan 0.000 0.552 35 S N -1.434 114.297 115.700 0.053 0.000 2.749 35 S HA 0.348 4.819 4.470 0.001 0.000 0.246 35 S C 0.844 175.497 174.600 0.088 0.000 1.023 35 S CA 0.648 58.907 58.200 0.099 0.000 1.012 35 S CB 0.232 63.531 63.200 0.165 0.000 0.942 35 S HN 0.301 nan 8.310 nan 0.000 0.531 36 S N 1.260 116.992 115.700 0.053 0.000 3.559 36 S HA -0.067 4.403 4.470 0.001 0.000 0.369 36 S C 1.460 176.093 174.600 0.056 0.000 0.987 36 S CA 0.970 59.195 58.200 0.042 0.000 1.187 36 S CB -1.984 61.223 63.200 0.012 0.000 0.914 36 S HN 1.927 nan 8.310 nan 0.000 0.480 37 G N 0.895 109.723 108.800 0.047 0.000 3.377 37 G HA2 -0.047 3.913 3.960 0.001 0.000 0.304 37 G HA3 -0.047 3.913 3.960 0.001 0.000 0.304 37 G C 0.213 175.076 174.900 -0.063 0.000 1.366 37 G CA 0.461 45.557 45.100 -0.006 0.000 1.020 37 G HN 2.068 nan 8.290 nan 0.000 0.621 38 A N -1.498 121.294 122.820 -0.046 0.000 3.129 38 A HA 0.717 5.038 4.320 0.001 0.000 0.282 38 A C 0.644 178.351 177.584 0.205 0.000 0.948 38 A CA 0.606 52.598 52.037 -0.076 0.000 1.027 38 A CB 0.208 19.072 19.000 -0.228 0.000 1.123 38 A HN 1.912 nan 8.150 nan 0.000 0.485 39 L N -1.240 120.101 121.223 0.198 0.000 3.597 39 L HA -0.232 4.109 4.340 0.001 0.000 0.440 39 L C 1.095 178.019 176.870 0.089 0.000 1.277 39 L CA 0.914 55.842 54.840 0.147 0.000 0.852 39 L CB -2.121 40.040 42.059 0.169 0.000 1.708 39 L HN 0.390 nan 8.230 nan 0.000 0.885 40 V N -1.750 118.196 119.914 0.053 0.000 2.911 40 V HA 0.278 4.399 4.120 0.001 0.000 0.237 40 V C 1.685 177.774 176.094 -0.007 0.000 1.156 40 V CA 0.920 63.235 62.300 0.025 0.000 1.180 40 V CB 0.412 32.240 31.823 0.008 0.000 0.932 40 V HN 0.521 nan 8.190 nan 0.000 0.483 41 A N 1.418 124.212 122.820 -0.044 0.000 3.051 41 A HA 0.132 4.453 4.320 0.001 0.000 0.257 41 A C 1.143 178.659 177.584 -0.114 0.000 1.785 41 A CA -0.027 51.926 52.037 -0.141 0.000 1.420 41 A CB -0.969 17.818 19.000 -0.354 0.000 1.063 41 A HN 0.504 nan 8.150 nan 0.000 0.630 42 N N 0.930 119.609 118.700 -0.035 0.000 2.205 42 N HA -0.160 4.581 4.740 0.001 0.000 0.186 42 N C 1.338 176.834 175.510 -0.025 0.000 1.015 42 N CA 1.912 54.951 53.050 -0.017 0.000 0.862 42 N CB -0.288 38.205 38.487 0.011 0.000 0.986 42 N HN 0.884 nan 8.380 nan 0.000 0.429 43 I N -4.052 116.512 120.570 -0.010 0.000 3.941 43 I HA 0.429 4.599 4.170 0.001 0.000 0.335 43 I C 0.592 176.700 176.117 -0.015 0.000 1.402 43 I CA -0.291 61.004 61.300 -0.008 0.000 1.112 43 I CB -0.149 37.847 38.000 -0.007 0.000 1.043 43 I HN -0.019 nan 8.210 nan 0.000 0.395 44 G N 1.425 110.166 108.800 -0.098 0.000 2.746 44 G HA2 -0.180 3.780 3.960 0.001 0.000 0.685 44 G HA3 -0.180 3.780 3.960 0.001 0.000 0.685 44 G C -0.986 173.821 174.900 -0.154 0.000 1.350 44 G CA -0.556 44.449 45.100 -0.158 0.000 0.837 44 G HN 0.660 nan 8.290 nan 0.000 0.564 45 H N -0.520 118.620 119.070 0.117 0.000 2.496 45 H HA 0.528 5.085 4.556 0.001 0.000 0.342 45 H C 1.218 176.659 175.328 0.187 0.000 1.170 45 H CA 0.677 56.803 56.048 0.131 0.000 1.274 45 H CB 1.612 31.422 29.762 0.081 0.000 1.538 45 H HN 2.127 nan 8.280 nan 0.000 0.542 46 G N 1.521 110.528 108.800 0.346 0.000 2.160 46 G HA2 -0.282 3.678 3.960 0.001 0.000 0.244 46 G HA3 -0.282 3.678 3.960 0.001 0.000 0.244 46 G C -0.215 174.812 174.900 0.211 0.000 1.022 46 G CA -0.610 44.644 45.100 0.257 0.000 0.741 46 G HN 0.444 nan 8.290 nan 0.000 0.508 47 R N 0.098 120.747 120.500 0.249 0.000 2.357 47 R HA 0.473 4.813 4.340 0.001 0.000 0.330 47 R C 1.558 177.846 176.300 -0.020 0.000 1.102 47 R CA 0.413 56.526 56.100 0.023 0.000 0.974 47 R CB 0.302 30.474 30.300 -0.213 0.000 1.002 47 R HN 0.513 nan 8.270 nan 0.000 0.463 48 A N 3.013 125.835 122.820 0.004 0.000 2.019 48 A HA -0.198 4.122 4.320 0.001 0.000 0.219 48 A C 2.049 179.604 177.584 -0.048 0.000 1.164 48 A CA 1.310 53.346 52.037 -0.003 0.000 0.644 48 A CB -0.205 18.799 19.000 0.007 0.000 0.805 48 A HN 0.786 nan 8.150 nan 0.000 0.449 49 E N -0.043 120.109 120.200 -0.080 0.000 2.085 49 E HA -0.160 4.191 4.350 0.001 0.000 0.194 49 E C 1.815 178.330 176.600 -0.142 0.000 0.994 49 E CA 1.681 58.021 56.400 -0.100 0.000 0.801 49 E CB -0.124 29.511 29.700 -0.108 0.000 0.743 49 E HN 0.359 nan 8.360 nan 0.000 0.453 50 V N 0.519 120.289 119.914 -0.240 0.000 2.358 50 V HA -0.160 3.961 4.120 0.001 0.000 0.246 50 V C 2.440 178.441 176.094 -0.156 0.000 1.047 50 V CA 1.793 63.910 62.300 -0.304 0.000 1.035 50 V CB -0.976 30.412 31.823 -0.725 0.000 0.658 50 V HN 0.498 nan 8.190 nan 0.000 0.452 51 G N 0.022 108.770 108.800 -0.087 0.000 2.440 51 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 51 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 51 G C 1.446 176.336 174.900 -0.015 0.000 1.154 51 G CA 0.808 45.909 45.100 0.003 0.000 0.767 51 G HN 0.504 nan 8.290 nan 0.000 0.552 52 E N 0.616 120.796 120.200 -0.033 0.000 2.110 52 E HA -0.069 4.281 4.350 0.001 0.000 0.193 52 E C 2.720 179.298 176.600 -0.038 0.000 0.988 52 E CA 0.496 56.878 56.400 -0.030 0.000 0.804 52 E CB -0.271 29.409 29.700 -0.033 0.000 0.745 52 E HN 0.265 nan 8.360 nan 0.000 0.458 53 R N 0.159 120.624 120.500 -0.058 0.000 2.092 53 R HA 0.053 4.393 4.340 0.001 0.000 0.231 53 R C 2.367 178.633 176.300 -0.057 0.000 1.119 53 R CA 0.850 56.911 56.100 -0.065 0.000 0.970 53 R CB -0.471 29.774 30.300 -0.090 0.000 0.864 53 R HN 0.302 nan 8.270 nan 0.000 0.440 54 M N -0.177 119.395 119.600 -0.047 0.000 2.156 54 M HA -0.042 4.438 4.480 0.001 0.000 0.264 54 M C 2.451 178.741 176.300 -0.017 0.000 1.067 54 M CA 1.651 56.933 55.300 -0.031 0.000 1.131 54 M CB -0.380 32.221 32.600 0.001 0.000 1.368 54 M HN 0.113 nan 8.290 nan 0.000 0.416 55 A N 0.637 123.451 122.820 -0.009 0.000 1.902 55 A HA -0.069 4.252 4.320 0.001 0.000 0.217 55 A C 2.386 179.964 177.584 -0.010 0.000 1.181 55 A CA 1.970 54.006 52.037 -0.002 0.000 0.623 55 A CB -0.945 18.055 19.000 -0.000 0.000 0.818 55 A HN 0.487 nan 8.150 nan 0.000 0.443 56 A N -1.106 121.702 122.820 -0.020 0.000 1.902 56 A HA -0.191 4.129 4.320 0.001 0.000 0.217 56 A C 2.151 179.720 177.584 -0.026 0.000 1.181 56 A CA 2.119 54.142 52.037 -0.022 0.000 0.623 56 A CB -0.475 18.508 19.000 -0.028 0.000 0.818 56 A HN 0.531 nan 8.150 nan 0.000 0.443 57 Q N -0.257 119.522 119.800 -0.036 0.000 2.119 57 Q HA 0.057 4.398 4.340 0.001 0.000 0.201 57 Q C 2.001 177.983 176.000 -0.030 0.000 0.972 57 Q CA 1.836 57.611 55.803 -0.046 0.000 0.847 57 Q CB -0.576 28.116 28.738 -0.076 0.000 0.903 57 Q HN 0.551 nan 8.270 nan 0.000 0.433 58 A N 0.025 122.838 122.820 -0.013 0.000 1.933 58 A HA -0.002 4.318 4.320 0.001 0.000 0.218 58 A C 2.202 179.796 177.584 0.017 0.000 1.175 58 A CA 1.674 53.721 52.037 0.016 0.000 0.628 58 A CB -0.919 18.099 19.000 0.030 0.000 0.814 58 A HN 0.474 nan 8.150 nan 0.000 0.444 59 A N -0.856 121.967 122.820 0.005 0.000 2.016 59 A HA 0.053 4.374 4.320 0.001 0.000 0.217 59 A C 2.130 179.713 177.584 -0.002 0.000 1.162 59 A CA 1.736 53.775 52.037 0.004 0.000 0.662 59 A CB -0.266 18.733 19.000 -0.001 0.000 0.812 59 A HN 0.460 nan 8.150 nan 0.000 0.450 60 R N -1.422 119.072 120.500 -0.010 0.000 2.062 60 R HA 0.313 4.654 4.340 0.001 0.000 0.218 60 R C -0.135 176.152 176.300 -0.021 0.000 1.161 60 R CA 1.192 57.281 56.100 -0.018 0.000 0.994 60 R CB -0.124 30.161 30.300 -0.025 0.000 0.888 60 R HN 0.414 nan 8.270 nan 0.000 0.442 61 L N 1.422 122.632 121.223 -0.022 0.000 2.628 61 L HA 0.415 4.756 4.340 0.001 0.000 0.258 61 L C -2.415 174.449 176.870 -0.010 0.000 1.027 61 L CA -1.101 53.724 54.840 -0.024 0.000 0.910 61 L CB 2.266 44.291 42.059 -0.056 0.000 1.157 61 L HN 0.072 nan 8.230 nan 0.000 0.452 62 P HA 0.006 nan 4.420 nan 0.000 0.221 62 P C -0.034 177.404 177.300 0.230 0.000 1.155 62 P CA 0.847 64.010 63.100 0.105 0.000 0.812 62 P CB 0.428 32.224 31.700 0.160 0.000 0.801 63 F N 0.867 120.858 119.950 0.068 0.000 2.615 63 F HA 0.466 4.994 4.527 0.001 0.000 0.312 63 F C -1.577 174.263 175.800 0.068 0.000 1.119 63 F CA -0.987 57.085 58.000 0.120 0.000 0.979 63 F CB 1.990 41.081 39.000 0.152 0.000 1.266 63 F HN -0.224 nan 8.300 nan 0.000 0.444 64 V N 2.208 121.565 119.914 -0.928 0.000 3.012 64 V HA 0.495 4.615 4.120 0.001 0.000 0.307 64 V C -1.594 173.956 176.094 -0.907 0.000 1.166 64 V CA -0.668 61.294 62.300 -0.564 0.000 0.974 64 V CB 1.598 33.328 31.823 -0.154 0.000 1.040 64 V HN 0.978 nan 8.190 nan 0.000 0.428 65 H N 2.413 121.222 119.070 -0.435 0.000 2.580 65 H HA 0.414 4.970 4.556 0.001 0.000 0.322 65 H C 1.286 176.559 175.328 -0.092 0.000 1.082 65 H CA 0.616 56.522 56.048 -0.238 0.000 1.383 65 H CB 2.001 31.790 29.762 0.045 0.000 1.450 65 H HN 1.078 nan 8.280 nan 0.000 0.505 66 G N 2.571 111.183 108.800 -0.314 0.000 2.479 66 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 66 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 66 G C 1.500 176.447 174.900 0.078 0.000 1.115 66 G CA 0.914 45.954 45.100 -0.100 0.000 0.757 66 G HN 0.627 nan 8.290 nan 0.000 0.560 67 S N -0.879 114.997 115.700 0.293 0.000 2.561 67 S HA 0.065 4.536 4.470 0.001 0.000 0.225 67 S C 1.903 176.541 174.600 0.063 0.000 0.977 67 S CA 1.019 59.356 58.200 0.228 0.000 0.926 67 S CB 0.068 63.446 63.200 0.297 0.000 0.769 67 S HN 0.581 nan 8.310 nan 0.000 0.533 68 Q N -0.937 118.875 119.800 0.020 0.000 2.532 68 Q HA 0.438 4.778 4.340 0.001 0.000 0.247 68 Q C -0.680 174.941 176.000 -0.633 0.000 0.872 68 Q CA 0.300 55.920 55.803 -0.304 0.000 0.963 68 Q CB 0.603 29.205 28.738 -0.227 0.000 1.159 68 Q HN 0.547 nan 8.270 nan 0.000 0.598 69 F N -0.744 119.218 119.950 0.020 0.000 2.626 69 F HA 0.476 5.003 4.527 0.000 0.000 0.311 69 F C -0.036 175.750 175.800 -0.024 0.000 1.088 69 F CA -1.017 56.982 58.000 -0.003 0.000 0.949 69 F CB 1.995 40.983 39.000 -0.020 0.000 1.322 69 F HN -0.201 nan 8.300 nan 0.000 0.461 70 S N 0.161 115.988 115.700 0.212 0.000 2.748 70 S HA 0.881 5.352 4.470 0.001 0.000 0.299 70 S C -0.741 173.913 174.600 0.089 0.000 1.119 70 S CA -0.085 58.179 58.200 0.107 0.000 0.997 70 S CB 1.240 64.497 63.200 0.094 0.000 1.223 70 S HN 0.846 nan 8.310 nan 0.000 0.541 71 S N -0.062 115.664 115.700 0.044 0.000 2.556 71 S HA 0.365 4.836 4.470 0.001 0.000 0.271 71 S C 0.045 174.656 174.600 0.018 0.000 1.135 71 S CA -0.330 57.876 58.200 0.010 0.000 0.858 71 S CB 1.336 64.518 63.200 -0.030 0.000 1.114 71 S HN 0.752 nan 8.310 nan 0.000 0.468 72 D N 1.808 122.211 120.400 0.005 0.000 2.149 72 D HA -0.177 4.464 4.640 0.001 0.000 0.198 72 D C 2.031 178.342 176.300 0.018 0.000 0.990 72 D CA 1.831 55.838 54.000 0.011 0.000 0.839 72 D CB -1.163 39.637 40.800 -0.000 0.000 0.948 72 D HN 0.643 nan 8.370 nan 0.000 0.460 73 V N -1.396 118.520 119.914 0.004 0.000 2.427 73 V HA -0.113 4.007 4.120 0.001 0.000 0.248 73 V C 2.483 178.615 176.094 0.064 0.000 1.051 73 V CA 1.099 63.405 62.300 0.010 0.000 1.048 73 V CB -1.011 30.791 31.823 -0.036 0.000 0.666 73 V HN 0.161 nan 8.190 nan 0.000 0.456 74 L N 0.740 122.004 121.223 0.068 0.000 2.056 74 L HA 0.003 4.343 4.340 0.001 0.000 0.207 74 L C 2.637 179.600 176.870 0.155 0.000 1.078 74 L CA 1.902 56.829 54.840 0.145 0.000 0.749 74 L CB -0.986 41.135 42.059 0.102 0.000 0.901 74 L HN 0.281 nan 8.230 nan 0.000 0.433 75 E N -0.080 120.176 120.200 0.094 0.000 2.085 75 E HA -0.298 4.053 4.350 0.001 0.000 0.194 75 E C 2.036 178.672 176.600 0.059 0.000 0.994 75 E CA 1.601 58.044 56.400 0.071 0.000 0.801 75 E CB -0.189 29.541 29.700 0.050 0.000 0.743 75 E HN 0.700 nan 8.360 nan 0.000 0.453 76 E N -0.177 120.060 120.200 0.062 0.000 2.028 76 E HA -0.207 4.143 4.350 0.001 0.000 0.191 76 E C 2.151 178.786 176.600 0.059 0.000 0.988 76 E CA 0.763 57.191 56.400 0.048 0.000 0.799 76 E CB -0.241 29.485 29.700 0.043 0.000 0.755 76 E HN 0.197 nan 8.360 nan 0.000 0.447 77 Y N 0.982 121.256 120.300 -0.043 0.000 2.128 77 Y HA -0.208 4.342 4.550 0.001 0.000 0.284 77 Y C 2.068 177.886 175.900 -0.136 0.000 1.154 77 Y CA 1.697 59.743 58.100 -0.090 0.000 1.149 77 Y CB -0.763 37.649 38.460 -0.080 0.000 0.976 77 Y HN 0.159 nan 8.280 nan 0.000 0.505 78 A N 0.109 122.852 122.820 -0.129 0.000 1.892 78 A HA -0.191 4.130 4.320 0.001 0.000 0.218 78 A C 2.536 179.984 177.584 -0.228 0.000 1.188 78 A CA 2.106 54.023 52.037 -0.199 0.000 0.631 78 A CB -1.730 17.332 19.000 0.103 0.000 0.822 78 A HN 0.600 nan 8.150 nan 0.000 0.447 79 G N -1.117 107.609 108.800 -0.122 0.000 2.402 79 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 79 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 79 G C 1.717 176.537 174.900 -0.133 0.000 1.162 79 G CA 0.718 45.761 45.100 -0.095 0.000 0.777 79 G HN 0.387 nan 8.290 nan 0.000 0.539 80 R N -0.275 120.129 120.500 -0.160 0.000 2.081 80 R HA -0.006 4.334 4.340 0.001 0.000 0.235 80 R C 2.502 178.676 176.300 -0.209 0.000 1.131 80 R CA 0.994 57.005 56.100 -0.148 0.000 0.960 80 R CB -1.089 29.143 30.300 -0.113 0.000 0.856 80 R HN 0.437 nan 8.270 nan 0.000 0.436 81 L N 0.795 121.744 121.223 -0.456 0.000 2.027 81 L HA -0.047 4.293 4.340 0.001 0.000 0.206 81 L C 2.262 178.984 176.870 -0.247 0.000 1.074 81 L CA 2.095 56.648 54.840 -0.478 0.000 0.745 81 L CB -0.865 40.568 42.059 -1.043 0.000 0.898 81 L HN 0.144 nan 8.230 nan 0.000 0.433 82 A N -0.257 122.412 122.820 -0.251 0.000 1.917 82 A HA -0.258 4.062 4.320 0.001 0.000 0.219 82 A C 2.439 179.949 177.584 -0.124 0.000 1.182 82 A CA 2.100 54.046 52.037 -0.151 0.000 0.633 82 A CB -0.608 18.343 19.000 -0.082 0.000 0.819 82 A HN 0.539 nan 8.150 nan 0.000 0.448 83 R N -2.167 118.281 120.500 -0.086 0.000 2.075 83 R HA -0.076 4.264 4.340 0.001 0.000 0.232 83 R C 2.042 178.316 176.300 -0.043 0.000 1.126 83 R CA 1.420 57.485 56.100 -0.058 0.000 0.963 83 R CB -0.515 29.767 30.300 -0.030 0.000 0.858 83 R HN 0.600 nan 8.270 nan 0.000 0.435 84 F N 1.843 121.707 119.950 -0.144 0.000 2.095 84 F HA -0.191 4.337 4.527 0.001 0.000 0.298 84 F C 1.948 177.673 175.800 -0.125 0.000 1.104 84 F CA 1.575 59.501 58.000 -0.124 0.000 1.232 84 F CB -0.346 38.575 39.000 -0.132 0.000 0.987 84 F HN -0.160 nan 8.300 nan 0.000 0.475 85 V N -0.986 118.719 119.914 -0.349 0.000 3.510 85 V HA 0.357 4.478 4.120 0.001 0.000 0.270 85 V C 1.465 177.341 176.094 -0.363 0.000 1.201 85 V CA 0.632 62.666 62.300 -0.443 0.000 1.166 85 V CB -0.991 30.678 31.823 -0.255 0.000 0.825 85 V HN 0.827 nan 8.190 nan 0.000 0.484 86 G N 0.926 109.545 108.800 -0.301 0.000 2.160 86 G HA2 -0.228 3.732 3.960 0.001 0.000 0.244 86 G HA3 -0.228 3.732 3.960 0.001 0.000 0.244 86 G C -0.030 174.702 174.900 -0.281 0.000 1.022 86 G CA 0.421 45.373 45.100 -0.246 0.000 0.741 86 G HN 0.679 nan 8.290 nan 0.000 0.508 87 L N 0.239 121.263 121.223 -0.333 0.000 2.783 87 L HA 0.250 4.591 4.340 0.001 0.000 0.265 87 L C -0.681 176.073 176.870 -0.193 0.000 1.398 87 L CA -1.352 53.184 54.840 -0.507 0.000 0.802 87 L CB 1.052 42.503 42.059 -1.014 0.000 1.126 87 L HN -0.010 nan 8.230 nan 0.000 0.529 88 P HA -0.214 nan 4.420 nan 0.000 0.218 88 P C 1.223 178.557 177.300 0.058 0.000 1.146 88 P CA 1.668 64.758 63.100 -0.016 0.000 0.820 88 P CB 0.039 31.728 31.700 -0.019 0.000 0.778 89 T N -6.024 108.624 114.554 0.158 0.000 3.060 89 T HA 0.135 4.486 4.350 0.001 0.000 0.249 89 T C 0.566 175.399 174.700 0.222 0.000 1.079 89 T CA -0.443 61.758 62.100 0.169 0.000 1.013 89 T CB -0.584 68.376 68.868 0.153 0.000 0.975 89 T HN -0.248 nan 8.240 nan 0.000 0.518 90 F N 2.655 122.573 119.950 -0.052 0.000 2.450 90 F HA 0.502 5.029 4.527 0.001 0.000 0.339 90 F C 1.158 176.908 175.800 -0.083 0.000 1.146 90 F CA -1.346 56.618 58.000 -0.059 0.000 1.267 90 F CB 0.501 39.472 39.000 -0.048 0.000 1.178 90 F HN -0.154 nan 8.300 nan 0.000 0.585 91 R N 2.069 122.564 120.500 -0.008 0.000 2.294 91 R HA 0.240 4.580 4.340 0.001 0.000 0.319 91 R C -1.135 175.201 176.300 0.059 0.000 0.984 91 R CA -0.696 55.321 56.100 -0.140 0.000 0.861 91 R CB 0.998 30.960 30.300 -0.562 0.000 1.104 91 R HN 0.444 nan 8.270 nan 0.000 0.451 92 F N 4.046 123.959 119.950 -0.062 0.000 2.404 92 F HA 0.219 4.747 4.527 0.001 0.000 0.358 92 F C -0.412 175.455 175.800 0.111 0.000 1.120 92 F CA -1.312 56.700 58.000 0.019 0.000 1.144 92 F CB 0.653 39.638 39.000 -0.026 0.000 1.133 92 F HN 0.490 nan 8.300 nan 0.000 0.495 93 W N 8.888 129.845 121.300 -0.571 0.000 2.278 93 W HA 0.678 5.339 4.660 0.001 0.000 0.317 93 W C -1.360 174.629 176.519 -0.883 0.000 1.030 93 W CA -1.039 55.986 57.345 -0.534 0.000 1.334 93 W CB 1.230 30.548 29.460 -0.237 0.000 1.215 93 W HN 0.774 nan 8.180 nan 0.000 0.405 94 A N 5.842 127.837 122.820 -1.375 0.000 2.331 94 A HA 0.635 4.955 4.320 0.001 0.000 0.283 94 A C -0.462 176.535 177.584 -0.979 0.000 1.142 94 A CA -0.252 51.107 52.037 -1.129 0.000 0.812 94 A CB 0.984 19.602 19.000 -0.637 0.000 1.074 94 A HN 0.848 nan 8.150 nan 0.000 0.497 95 V N -0.616 118.928 119.914 -0.617 0.000 3.103 95 V HA 0.666 4.786 4.120 0.001 0.000 0.311 95 V C 0.560 176.524 176.094 -0.217 0.000 1.322 95 V CA 0.049 62.029 62.300 -0.533 0.000 1.063 95 V CB 1.156 32.592 31.823 -0.646 0.000 1.090 95 V HN 0.677 nan 8.190 nan 0.000 0.462 96 S N -0.228 115.395 115.700 -0.129 0.000 2.492 96 S HA 0.561 5.031 4.470 0.001 0.000 0.218 96 S C 0.602 175.193 174.600 -0.015 0.000 1.016 96 S CA 0.634 58.816 58.200 -0.030 0.000 0.916 96 S CB 0.387 63.597 63.200 0.017 0.000 0.791 96 S HN 1.469 nan 8.310 nan 0.000 0.513 97 G N -0.515 108.277 108.800 -0.015 0.000 2.672 97 G HA2 0.520 4.481 3.960 0.001 0.000 0.292 97 G HA3 0.520 4.481 3.960 0.001 0.000 0.292 97 G C 0.645 175.557 174.900 0.022 0.000 1.375 97 G CA -0.139 44.968 45.100 0.012 0.000 0.890 97 G HN 0.092 nan 8.290 nan 0.000 0.476 98 G N 0.153 108.975 108.800 0.036 0.000 2.440 98 G HA2 -0.129 3.832 3.960 0.001 0.000 0.218 98 G HA3 -0.129 3.832 3.960 0.001 0.000 0.218 98 G C 1.876 176.810 174.900 0.057 0.000 1.154 98 G CA 1.881 47.010 45.100 0.048 0.000 0.767 98 G HN 0.620 nan 8.290 nan 0.000 0.552 99 S N 0.586 116.321 115.700 0.059 0.000 2.368 99 S HA -0.088 4.383 4.470 0.001 0.000 0.225 99 S C 2.146 176.809 174.600 0.104 0.000 1.030 99 S CA 1.401 59.644 58.200 0.072 0.000 0.999 99 S CB -0.238 62.999 63.200 0.063 0.000 0.844 99 S HN 0.595 nan 8.310 nan 0.000 0.459 100 E N 1.321 121.587 120.200 0.110 0.000 2.110 100 E HA -0.120 4.231 4.350 0.001 0.000 0.193 100 E C 2.352 179.010 176.600 0.095 0.000 0.988 100 E CA 1.037 57.526 56.400 0.149 0.000 0.804 100 E CB -0.257 29.481 29.700 0.064 0.000 0.745 100 E HN 0.523 nan 8.360 nan 0.000 0.458 101 A N 0.904 123.758 122.820 0.057 0.000 1.898 101 A HA -0.155 4.166 4.320 0.001 0.000 0.216 101 A C 2.378 180.046 177.584 0.141 0.000 1.181 101 A CA 1.767 53.863 52.037 0.097 0.000 0.620 101 A CB -0.759 18.284 19.000 0.072 0.000 0.819 101 A HN 0.160 nan 8.150 nan 0.000 0.442 102 T N 0.011 114.636 114.554 0.118 0.000 2.737 102 T HA -0.101 4.250 4.350 0.001 0.000 0.265 102 T C 1.814 176.607 174.700 0.154 0.000 1.038 102 T CA 1.448 63.620 62.100 0.120 0.000 1.144 102 T CB -0.225 68.700 68.868 0.095 0.000 0.866 102 T HN 0.449 nan 8.240 nan 0.000 0.434 103 E N 1.315 121.613 120.200 0.163 0.000 2.110 103 E HA -0.040 4.311 4.350 0.001 0.000 0.193 103 E C 2.562 179.277 176.600 0.192 0.000 0.988 103 E CA 0.746 57.255 56.400 0.181 0.000 0.804 103 E CB -0.437 29.371 29.700 0.180 0.000 0.745 103 E HN 0.368 nan 8.360 nan 0.000 0.458 104 S N 0.947 116.782 115.700 0.224 0.000 2.368 104 S HA -0.122 4.348 4.470 0.001 0.000 0.225 104 S C 2.082 176.830 174.600 0.247 0.000 1.030 104 S CA 1.043 59.387 58.200 0.241 0.000 0.999 104 S CB -0.159 63.273 63.200 0.387 0.000 0.844 104 S HN 0.414 nan 8.310 nan 0.000 0.459 105 A N 1.098 124.044 122.820 0.208 0.000 1.902 105 A HA -0.058 4.263 4.320 0.001 0.000 0.217 105 A C 2.336 180.020 177.584 0.167 0.000 1.181 105 A CA 1.552 53.687 52.037 0.164 0.000 0.623 105 A CB -0.891 18.183 19.000 0.124 0.000 0.818 105 A HN 0.347 nan 8.150 nan 0.000 0.443 106 V N 0.534 120.563 119.914 0.191 0.000 2.307 106 V HA -0.224 3.896 4.120 0.001 0.000 0.245 106 V C 2.646 178.873 176.094 0.222 0.000 1.045 106 V CA 2.180 64.609 62.300 0.215 0.000 1.024 106 V CB -0.599 31.404 31.823 0.300 0.000 0.651 106 V HN 0.554 nan 8.190 nan 0.000 0.449 107 K N 0.183 120.701 120.400 0.198 0.000 2.032 107 K HA -0.196 4.124 4.320 0.001 0.000 0.209 107 K C 2.174 178.944 176.600 0.282 0.000 1.048 107 K CA 1.750 58.136 56.287 0.166 0.000 0.927 107 K CB -0.601 31.854 32.500 -0.077 0.000 0.712 107 K HN 0.366 nan 8.250 nan 0.000 0.441 108 L N 1.109 122.527 121.223 0.325 0.000 2.046 108 L HA -0.089 4.252 4.340 0.001 0.000 0.208 108 L C 2.313 179.303 176.870 0.201 0.000 1.077 108 L CA 2.205 57.259 54.840 0.357 0.000 0.747 108 L CB -0.941 41.242 42.059 0.208 0.000 0.896 108 L HN 0.200 nan 8.230 nan 0.000 0.432 109 A N -0.398 122.512 122.820 0.149 0.000 1.902 109 A HA -0.257 4.064 4.320 0.001 0.000 0.217 109 A C 2.436 180.118 177.584 0.163 0.000 1.181 109 A CA 1.854 53.948 52.037 0.094 0.000 0.623 109 A CB -0.610 18.456 19.000 0.110 0.000 0.818 109 A HN 0.488 nan 8.150 nan 0.000 0.443 110 R N -0.021 120.619 120.500 0.234 0.000 2.066 110 R HA -0.139 4.201 4.340 0.001 0.000 0.232 110 R C 2.308 178.725 176.300 0.195 0.000 1.131 110 R CA 2.233 58.480 56.100 0.244 0.000 0.955 110 R CB -0.903 29.566 30.300 0.281 0.000 0.851 110 R HN 0.647 nan 8.270 nan 0.000 0.432 111 Q N -1.116 118.855 119.800 0.286 0.000 2.135 111 Q HA -0.247 4.094 4.340 0.001 0.000 0.204 111 Q C 1.820 177.894 176.000 0.124 0.000 0.981 111 Q CA 1.891 57.833 55.803 0.230 0.000 0.856 111 Q CB -0.380 28.576 28.738 0.363 0.000 0.902 111 Q HN 0.544 nan 8.270 nan 0.000 0.425 112 Y N 0.489 120.766 120.300 -0.039 0.000 2.081 112 Y HA -0.325 4.225 4.550 0.001 0.000 0.280 112 Y C 1.753 177.548 175.900 -0.174 0.000 1.163 112 Y CA 2.598 60.599 58.100 -0.166 0.000 1.135 112 Y CB -0.499 37.774 38.460 -0.311 0.000 0.970 112 Y HN 0.337 nan 8.280 nan 0.000 0.498 113 H N -1.846 117.244 119.070 0.033 0.000 2.428 113 H HA -0.098 4.459 4.556 0.001 0.000 0.296 113 H C 2.294 177.561 175.328 -0.103 0.000 1.062 113 H CA 1.318 57.318 56.048 -0.080 0.000 1.350 113 H CB -0.128 29.662 29.762 0.048 0.000 1.403 113 H HN 0.241 nan 8.280 nan 0.000 0.533 114 V N 0.990 120.920 119.914 0.027 0.000 2.358 114 V HA -0.195 3.925 4.120 0.001 0.000 0.246 114 V C 2.067 178.126 176.094 -0.059 0.000 1.047 114 V CA 1.613 63.894 62.300 -0.032 0.000 1.035 114 V CB -0.186 31.586 31.823 -0.084 0.000 0.658 114 V HN 0.466 nan 8.190 nan 0.000 0.452 115 E N 0.363 120.515 120.200 -0.080 0.000 2.153 115 E HA -0.157 4.193 4.350 0.001 0.000 0.194 115 E C 2.201 178.724 176.600 -0.129 0.000 0.988 115 E CA 0.879 57.222 56.400 -0.095 0.000 0.811 115 E CB -0.237 29.401 29.700 -0.103 0.000 0.746 115 E HN 0.574 nan 8.360 nan 0.000 0.466 116 R N -0.333 120.056 120.500 -0.184 0.000 2.313 116 R HA 0.103 4.444 4.340 0.001 0.000 0.199 116 R C 0.968 177.212 176.300 -0.093 0.000 0.958 116 R CA 0.523 56.519 56.100 -0.173 0.000 1.047 116 R CB 0.240 30.377 30.300 -0.271 0.000 0.955 116 R HN 0.173 nan 8.270 nan 0.000 0.481 117 G N 1.674 110.433 108.800 -0.069 0.000 2.160 117 G HA2 -0.280 3.681 3.960 0.001 0.000 0.244 117 G HA3 -0.280 3.681 3.960 0.001 0.000 0.244 117 G C -0.167 174.714 174.900 -0.031 0.000 1.022 117 G CA -0.102 44.971 45.100 -0.045 0.000 0.741 117 G HN 0.446 nan 8.290 nan 0.000 0.508 118 E N 0.049 120.238 120.200 -0.017 0.000 3.786 118 E HA 0.194 4.544 4.350 0.001 0.000 0.215 118 E C -1.489 175.120 176.600 0.014 0.000 1.188 118 E CA -1.469 54.928 56.400 -0.005 0.000 1.248 118 E CB 1.280 30.978 29.700 -0.003 0.000 1.260 118 E HN 0.296 nan 8.360 nan 0.000 0.426 119 P HA -0.105 nan 4.420 nan 0.000 0.230 119 P C 1.234 178.551 177.300 0.029 0.000 1.158 119 P CA 0.660 63.758 63.100 -0.003 0.000 0.769 119 P CB 0.336 32.013 31.700 -0.038 0.000 0.807 120 G N 0.294 109.113 108.800 0.032 0.000 2.534 120 G HA2 -0.138 3.822 3.960 0.001 0.000 0.217 120 G HA3 -0.138 3.822 3.960 0.001 0.000 0.217 120 G C 0.980 175.974 174.900 0.157 0.000 1.128 120 G CA -0.153 44.996 45.100 0.082 0.000 0.784 120 G HN 0.280 nan 8.290 nan 0.000 0.542 121 R N 0.318 120.848 120.500 0.050 0.000 2.248 121 R HA 0.353 4.694 4.340 0.001 0.000 0.337 121 R C 0.105 176.458 176.300 0.090 0.000 1.106 121 R CA -0.299 55.768 56.100 -0.056 0.000 0.959 121 R CB 0.108 30.196 30.300 -0.353 0.000 1.075 121 R HN 0.500 nan 8.270 nan 0.000 0.480 122 F N -0.564 119.336 119.950 -0.083 0.000 2.876 122 F HA 0.369 4.896 4.527 0.001 0.000 0.344 122 F C -0.086 175.623 175.800 -0.153 0.000 1.029 122 F CA -0.831 57.121 58.000 -0.079 0.000 1.154 122 F CB 0.313 39.267 39.000 -0.076 0.000 1.040 122 F HN -0.058 nan 8.300 nan 0.000 0.576 123 K N 2.293 122.128 120.400 -0.942 0.000 2.326 123 K HA 0.466 4.787 4.320 0.001 0.000 0.275 123 K C -0.762 175.556 176.600 -0.469 0.000 1.018 123 K CA -0.378 55.437 56.287 -0.787 0.000 0.962 123 K CB 2.078 34.126 32.500 -0.752 0.000 0.953 123 K HN 0.014 nan 8.250 nan 0.000 0.475 124 V N 5.269 124.835 119.914 -0.579 0.000 2.349 124 V HA 0.249 4.369 4.120 0.001 0.000 0.284 124 V C -0.052 175.952 176.094 -0.149 0.000 1.014 124 V CA -0.728 61.341 62.300 -0.385 0.000 0.826 124 V CB 0.749 32.193 31.823 -0.632 0.000 1.009 124 V HN 0.626 nan 8.190 nan 0.000 0.431 125 I N 5.248 125.844 120.570 0.043 0.000 2.496 125 I HA 0.378 4.549 4.170 0.001 0.000 0.285 125 I C 0.850 177.150 176.117 0.305 0.000 1.080 125 I CA 0.471 61.893 61.300 0.204 0.000 1.404 125 I CB 1.313 39.485 38.000 0.288 0.000 1.403 125 I HN 0.738 nan 8.210 nan 0.000 0.539 126 T N 3.680 118.412 114.554 0.297 0.000 2.907 126 T HA 0.577 4.928 4.350 0.001 0.000 0.290 126 T C -0.497 174.369 174.700 0.277 0.000 1.066 126 T CA -1.075 61.168 62.100 0.240 0.000 1.012 126 T CB 2.228 71.238 68.868 0.238 0.000 1.184 126 T HN 0.577 nan 8.240 nan 0.000 0.522 127 R N 0.688 121.326 120.500 0.230 0.000 2.562 127 R HA 0.631 4.972 4.340 0.001 0.000 0.298 127 R C -0.884 175.503 176.300 0.145 0.000 0.961 127 R CA -0.756 55.483 56.100 0.232 0.000 0.881 127 R CB 1.690 32.177 30.300 0.311 0.000 1.159 127 R HN 0.623 nan 8.270 nan 0.000 0.450 128 V N 5.937 125.924 119.914 0.121 0.000 2.673 128 V HA 0.085 4.205 4.120 0.001 0.000 0.303 128 V C -1.499 174.637 176.094 0.070 0.000 1.046 128 V CA -0.521 61.829 62.300 0.082 0.000 1.126 128 V CB 1.214 33.078 31.823 0.069 0.000 0.934 128 V HN 0.826 nan 8.190 nan 0.000 0.487 129 P HA 0.200 nan 4.420 nan 0.000 0.276 129 P C 0.170 177.487 177.300 0.028 0.000 1.585 129 P CA -0.180 62.939 63.100 0.032 0.000 1.162 129 P CB 0.628 32.333 31.700 0.008 0.000 1.556 149 E N 2.761 123.000 120.200 0.065 0.000 2.331 149 E HA -0.148 4.202 4.350 0.001 0.000 0.199 149 E C 1.404 177.987 176.600 -0.029 0.000 1.008 149 E CA 1.190 57.599 56.400 0.015 0.000 0.843 149 E CB -0.084 29.613 29.700 -0.006 0.000 0.761 149 E HN 0.468 nan 8.360 nan 0.000 0.507 150 L N -0.925 120.267 121.223 -0.051 0.000 2.509 150 L HA 0.060 4.400 4.340 0.001 0.000 0.222 150 L C 1.215 177.783 176.870 -0.503 0.000 1.123 150 L CA 0.515 55.186 54.840 -0.282 0.000 0.856 150 L CB -0.163 41.663 42.059 -0.388 0.000 0.985 150 L HN 0.010 nan 8.230 nan 0.000 0.456 151 Y N -2.341 117.972 120.300 0.021 0.000 2.453 151 Y HA 0.044 4.594 4.550 0.001 0.000 0.247 151 Y C 2.500 178.430 175.900 0.049 0.000 1.124 151 Y CA 0.168 58.295 58.100 0.046 0.000 1.243 151 Y CB 0.130 38.619 38.460 0.048 0.000 1.213 151 Y HN -0.051 nan 8.280 nan 0.000 0.523 152 T N 1.739 116.364 114.554 0.118 0.000 2.881 152 T HA -0.069 4.281 4.350 0.001 0.000 0.270 152 T C -0.497 174.230 174.700 0.045 0.000 1.068 152 T CA 1.189 63.336 62.100 0.079 0.000 1.131 152 T CB -0.756 68.130 68.868 0.030 0.000 0.871 152 T HN 0.162 nan 8.240 nan 0.000 0.479 153 P HA -0.001 nan 4.420 nan 0.000 0.222 153 P C 1.257 178.615 177.300 0.097 0.000 1.147 153 P CA 0.586 63.608 63.100 -0.130 0.000 0.790 153 P CB -0.169 31.301 31.700 -0.383 0.000 0.780 154 L N -1.268 120.079 121.223 0.206 0.000 2.465 154 L HA 0.046 4.386 4.340 0.001 0.000 0.224 154 L C 2.613 179.759 176.870 0.461 0.000 1.145 154 L CA 1.499 56.537 54.840 0.331 0.000 0.834 154 L CB -1.218 41.059 42.059 0.364 0.000 0.944 154 L HN -0.056 nan 8.230 nan 0.000 0.451 155 M N -1.550 118.225 119.600 0.292 0.000 2.506 155 M HA -0.001 4.479 4.480 0.001 0.000 0.260 155 M C 0.568 177.013 176.300 0.241 0.000 1.104 155 M CA 0.509 55.957 55.300 0.246 0.000 1.112 155 M CB -0.019 32.667 32.600 0.143 0.000 1.401 155 M HN 0.014 nan 8.290 nan 0.000 0.473 156 R N 0.834 121.476 120.500 0.238 0.000 2.438 156 R HA 0.096 4.436 4.340 0.001 0.000 0.287 156 R C -1.797 174.692 176.300 0.315 0.000 1.077 156 R CA -1.448 54.779 56.100 0.212 0.000 1.034 156 R CB -0.047 30.340 30.300 0.145 0.000 0.993 156 R HN -0.117 nan 8.270 nan 0.000 0.459 157 P HA -0.163 nan 4.420 nan 0.000 0.216 157 P C 0.231 177.700 177.300 0.282 0.000 1.150 157 P CA 1.240 64.496 63.100 0.260 0.000 0.837 157 P CB 0.288 32.083 31.700 0.158 0.000 0.786 158 E N -0.599 119.742 120.200 0.235 0.000 2.409 158 E HA -0.050 4.300 4.350 0.001 0.000 0.198 158 E C 1.846 178.548 176.600 0.170 0.000 1.024 158 E CA 0.902 57.424 56.400 0.203 0.000 0.861 158 E CB -0.756 29.076 29.700 0.219 0.000 0.788 158 E HN 0.209 nan 8.360 nan 0.000 0.521 159 A N -0.275 122.676 122.820 0.220 0.000 2.208 159 A HA -0.011 4.309 4.320 0.001 0.000 0.209 159 A C 0.033 177.270 177.584 -0.578 0.000 1.161 159 A CA 0.141 52.102 52.037 -0.127 0.000 0.782 159 A CB -0.208 18.794 19.000 0.003 0.000 0.816 159 A HN 0.288 nan 8.150 nan 0.000 0.477 160 W N 1.149 122.489 121.300 0.066 0.000 1.986 160 W HA 0.339 4.999 4.660 0.001 0.000 0.287 160 W C -2.495 174.051 176.519 0.045 0.000 0.866 160 W CA -2.412 54.965 57.345 0.054 0.000 2.056 160 W CB 0.329 29.830 29.460 0.069 0.000 2.290 160 W HN 0.086 nan 8.180 nan 0.000 0.396 161 P HA 0.154 nan 4.420 nan 0.000 0.272 161 P C -0.145 177.238 177.300 0.138 0.000 1.223 161 P CA 0.092 63.247 63.100 0.093 0.000 0.784 161 P CB 1.360 33.067 31.700 0.011 0.000 0.923 162 K N 1.720 122.191 120.400 0.119 0.000 2.221 162 K HA 0.435 4.756 4.320 0.001 0.000 0.258 162 K C -0.306 176.358 176.600 0.107 0.000 0.944 162 K CA -1.020 55.347 56.287 0.132 0.000 0.823 162 K CB 1.768 34.337 32.500 0.117 0.000 1.113 162 K HN 0.389 nan 8.250 nan 0.000 0.431 163 L N 4.085 125.393 121.223 0.142 0.000 2.325 163 L HA 0.444 4.784 4.340 0.001 0.000 0.279 163 L C -2.462 174.473 176.870 0.109 0.000 1.054 163 L CA -1.681 53.224 54.840 0.109 0.000 0.804 163 L CB 1.022 43.171 42.059 0.150 0.000 1.200 163 L HN 0.366 nan 8.230 nan 0.000 0.436 164 P HA 0.041 nan 4.420 nan 0.000 0.269 164 P C -1.361 175.992 177.300 0.089 0.000 1.215 164 P CA -0.277 62.864 63.100 0.070 0.000 0.780 164 P CB 0.348 32.076 31.700 0.047 0.000 0.898 165 K N 3.644 124.086 120.400 0.071 0.000 2.485 165 K HA 0.085 4.406 4.320 0.001 0.000 0.277 165 K C -1.944 174.685 176.600 0.049 0.000 0.990 165 K CA -1.142 55.182 56.287 0.062 0.000 0.994 165 K CB -0.342 32.187 32.500 0.047 0.000 0.906 165 K HN 0.343 nan 8.250 nan 0.000 0.488 166 P HA 0.025 nan 4.420 nan 0.000 0.272 166 P C -1.114 176.166 177.300 -0.033 0.000 1.223 166 P CA -0.029 63.033 63.100 -0.063 0.000 0.784 166 P CB 0.672 32.188 31.700 -0.308 0.000 0.923 167 D N 2.261 122.652 120.400 -0.015 0.000 2.464 167 D HA 0.260 4.900 4.640 0.001 0.000 0.243 167 D C -1.851 174.452 176.300 0.005 0.000 1.104 167 D CA -2.454 51.550 54.000 0.007 0.000 0.883 167 D CB 0.844 41.660 40.800 0.026 0.000 1.050 167 D HN 0.003 nan 8.370 nan 0.000 0.524 168 P HA -0.054 nan 4.420 nan 0.000 0.223 168 P C 0.760 178.076 177.300 0.027 0.000 1.144 168 P CA 0.739 63.849 63.100 0.017 0.000 0.783 168 P CB 0.373 32.086 31.700 0.020 0.000 0.771 169 A N -1.472 121.361 122.820 0.023 0.000 2.218 169 A HA 0.035 4.356 4.320 0.001 0.000 0.209 169 A C 1.337 178.937 177.584 0.026 0.000 1.168 169 A CA 0.078 52.128 52.037 0.023 0.000 0.804 169 A CB -0.586 18.425 19.000 0.018 0.000 0.834 169 A HN 0.072 nan 8.150 nan 0.000 0.482 170 R N 0.730 121.250 120.500 0.033 0.000 2.643 170 R HA 0.189 4.530 4.340 0.001 0.000 0.272 170 R C -0.223 176.106 176.300 0.049 0.000 0.995 170 R CA -0.780 55.341 56.100 0.036 0.000 1.032 170 R CB 0.406 30.728 30.300 0.038 0.000 1.126 170 R HN 0.355 nan 8.270 nan 0.000 0.505 171 N N 1.463 120.189 118.700 0.043 0.000 2.411 171 N HA -0.079 4.661 4.740 0.001 0.000 0.265 171 N C 0.791 176.346 175.510 0.075 0.000 1.266 171 N CA 0.794 53.874 53.050 0.050 0.000 0.889 171 N CB 1.208 39.714 38.487 0.032 0.000 1.069 171 N HN 0.806 nan 8.380 nan 0.000 0.476 172 G N 3.746 112.613 108.800 0.111 0.000 2.529 172 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 172 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 172 G C 1.404 176.368 174.900 0.106 0.000 1.177 172 G CA 1.286 46.493 45.100 0.179 0.000 0.773 172 G HN 0.774 nan 8.290 nan 0.000 0.573 173 A N 0.469 123.315 122.820 0.043 0.000 1.902 173 A HA -0.036 4.285 4.320 0.001 0.000 0.217 173 A C 2.193 179.740 177.584 -0.062 0.000 1.181 173 A CA 2.054 54.071 52.037 -0.035 0.000 0.623 173 A CB -0.503 18.487 19.000 -0.016 0.000 0.818 173 A HN 0.513 nan 8.150 nan 0.000 0.443 174 E N -0.432 119.756 120.200 -0.020 0.000 2.077 174 E HA -0.273 4.077 4.350 0.001 0.000 0.193 174 E C 1.625 178.208 176.600 -0.029 0.000 0.989 174 E CA 1.469 57.854 56.400 -0.025 0.000 0.800 174 E CB -0.177 29.521 29.700 -0.003 0.000 0.746 174 E HN 0.557 nan 8.360 nan 0.000 0.452 175 D N -0.217 120.192 120.400 0.015 0.000 2.117 175 D HA -0.078 4.562 4.640 0.001 0.000 0.198 175 D C 1.779 178.061 176.300 -0.030 0.000 0.982 175 D CA 1.463 55.498 54.000 0.059 0.000 0.828 175 D CB -0.135 40.772 40.800 0.179 0.000 0.967 175 D HN 0.264 nan 8.370 nan 0.000 0.464 176 A N 0.511 123.195 122.820 -0.227 0.000 2.015 176 A HA -0.122 4.199 4.320 0.001 0.000 0.219 176 A C 1.961 179.314 177.584 -0.385 0.000 1.163 176 A CA 0.992 52.660 52.037 -0.616 0.000 0.646 176 A CB -0.458 18.033 19.000 -0.849 0.000 0.806 176 A HN 0.134 nan 8.150 nan 0.000 0.448 177 E N -0.116 119.945 120.200 -0.232 0.000 2.396 177 E HA -0.145 4.206 4.350 0.001 0.000 0.200 177 E C 1.972 178.473 176.600 -0.165 0.000 1.023 177 E CA 0.824 57.116 56.400 -0.180 0.000 0.857 177 E CB -0.537 29.093 29.700 -0.116 0.000 0.775 177 E HN 0.632 nan 8.360 nan 0.000 0.525 178 G N 1.070 109.777 108.800 -0.155 0.000 2.448 178 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 178 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 178 G C 1.567 176.366 174.900 -0.168 0.000 1.127 178 G CA 0.470 45.498 45.100 -0.120 0.000 0.766 178 G HN 0.256 nan 8.290 nan 0.000 0.552 179 L N 0.470 121.532 121.223 -0.268 0.000 2.093 179 L HA 0.155 4.496 4.340 0.001 0.000 0.208 179 L C 2.641 179.359 176.870 -0.252 0.000 1.085 179 L CA 1.809 56.443 54.840 -0.343 0.000 0.755 179 L CB -0.506 41.214 42.059 -0.565 0.000 0.904 179 L HN 0.216 nan 8.230 nan 0.000 0.435 180 R N -0.558 119.813 120.500 -0.215 0.000 2.081 180 R HA -0.136 4.205 4.340 0.001 0.000 0.235 180 R C 2.151 178.378 176.300 -0.121 0.000 1.131 180 R CA 1.321 57.326 56.100 -0.158 0.000 0.960 180 R CB -0.353 29.865 30.300 -0.135 0.000 0.856 180 R HN 0.489 nan 8.270 nan 0.000 0.436 181 A N 1.232 123.986 122.820 -0.110 0.000 1.908 181 A HA -0.187 4.133 4.320 0.001 0.000 0.218 181 A C 2.029 179.568 177.584 -0.075 0.000 1.181 181 A CA 1.325 53.314 52.037 -0.080 0.000 0.627 181 A CB -0.601 18.359 19.000 -0.067 0.000 0.818 181 A HN 0.388 nan 8.150 nan 0.000 0.445 182 L N -0.376 120.794 121.223 -0.090 0.000 2.056 182 L HA -0.050 4.291 4.340 0.001 0.000 0.207 182 L C 2.254 179.075 176.870 -0.082 0.000 1.078 182 L CA 1.565 56.359 54.840 -0.076 0.000 0.749 182 L CB -0.564 41.447 42.059 -0.080 0.000 0.901 182 L HN 0.392 nan 8.230 nan 0.000 0.433 183 L N -0.592 120.567 121.223 -0.106 0.000 2.046 183 L HA -0.231 4.110 4.340 0.001 0.000 0.208 183 L C 2.526 179.347 176.870 -0.081 0.000 1.077 183 L CA 1.582 56.361 54.840 -0.102 0.000 0.747 183 L CB -0.535 41.454 42.059 -0.117 0.000 0.896 183 L HN 0.365 nan 8.230 nan 0.000 0.432 184 E N -0.031 120.125 120.200 -0.074 0.000 2.077 184 E HA -0.255 4.096 4.350 0.001 0.000 0.193 184 E C 2.195 178.767 176.600 -0.047 0.000 0.989 184 E CA 1.385 57.750 56.400 -0.057 0.000 0.800 184 E CB -0.130 29.538 29.700 -0.053 0.000 0.746 184 E HN 0.537 nan 8.360 nan 0.000 0.452 185 R N 0.670 121.143 120.500 -0.045 0.000 2.153 185 R HA 0.003 4.344 4.340 0.001 0.000 0.218 185 R C 1.585 177.864 176.300 -0.034 0.000 1.072 185 R CA 0.845 56.925 56.100 -0.033 0.000 0.990 185 R CB 0.076 30.361 30.300 -0.026 0.000 0.889 185 R HN 0.007 nan 8.270 nan 0.000 0.452 186 E N 0.993 121.163 120.200 -0.050 0.000 2.170 186 E HA 0.080 4.430 4.350 0.001 0.000 0.191 186 E C 0.458 177.020 176.600 -0.064 0.000 0.981 186 E CA 1.067 57.430 56.400 -0.061 0.000 0.830 186 E CB 0.348 29.993 29.700 -0.091 0.000 0.775 186 E HN 0.571 nan 8.360 nan 0.000 0.470 187 G N 2.703 111.465 108.800 -0.063 0.000 3.251 187 G HA2 -0.108 3.852 3.960 0.001 0.000 0.680 187 G HA3 -0.108 3.852 3.960 0.001 0.000 0.680 187 G C -1.752 173.100 174.900 -0.080 0.000 1.129 187 G CA -0.133 44.933 45.100 -0.057 0.000 0.994 187 G HN -0.071 nan 8.290 nan 0.000 0.450 188 P HA -0.174 nan 4.420 nan 0.000 0.218 188 P C 1.542 178.781 177.300 -0.102 0.000 1.146 188 P CA 1.782 64.828 63.100 -0.090 0.000 0.813 188 P CB 0.217 31.872 31.700 -0.074 0.000 0.778 189 E N 0.604 120.755 120.200 -0.081 0.000 2.478 189 E HA -0.080 4.270 4.350 0.001 0.000 0.198 189 E C 1.178 177.727 176.600 -0.085 0.000 1.046 189 E CA 1.354 57.706 56.400 -0.079 0.000 0.870 189 E CB -1.344 28.328 29.700 -0.047 0.000 0.818 189 E HN 0.343 nan 8.360 nan 0.000 0.527 190 T N -2.066 112.424 114.554 -0.108 0.000 3.054 190 T HA 0.279 4.629 4.350 0.001 0.000 0.255 190 T C 0.604 175.106 174.700 -0.328 0.000 1.035 190 T CA -0.334 61.684 62.100 -0.138 0.000 0.941 190 T CB 0.157 68.957 68.868 -0.113 0.000 1.026 190 T HN -0.056 nan 8.240 nan 0.000 0.533 191 V N 1.792 121.548 119.914 -0.263 0.000 2.439 191 V HA 0.734 4.854 4.120 0.001 0.000 0.282 191 V C 1.283 177.237 176.094 -0.234 0.000 1.039 191 V CA -0.271 61.868 62.300 -0.269 0.000 0.913 191 V CB 0.992 32.706 31.823 -0.181 0.000 0.983 191 V HN 0.447 nan 8.190 nan 0.000 0.460 192 A N 3.757 126.481 122.820 -0.160 0.000 1.973 192 A HA 0.796 5.117 4.320 0.001 0.000 0.210 192 A C 0.939 178.655 177.584 0.219 0.000 1.200 192 A CA 0.940 53.003 52.037 0.043 0.000 0.707 192 A CB 0.164 19.271 19.000 0.178 0.000 0.862 192 A HN 1.265 nan 8.150 nan 0.000 0.461 193 A N -2.026 120.853 122.820 0.098 0.000 2.564 193 A HA 0.599 4.920 4.320 0.001 0.000 0.291 193 A C -1.857 175.847 177.584 0.199 0.000 1.102 193 A CA -0.376 51.759 52.037 0.163 0.000 0.660 193 A CB 0.390 19.478 19.000 0.148 0.000 1.283 193 A HN 0.988 nan 8.150 nan 0.000 0.430 194 F N 0.727 120.742 119.950 0.108 0.000 2.536 194 F HA 0.749 5.277 4.527 0.001 0.000 0.322 194 F C -0.744 175.199 175.800 0.238 0.000 1.144 194 F CA -0.815 57.258 58.000 0.121 0.000 0.924 194 F CB 1.759 40.794 39.000 0.057 0.000 1.181 194 F HN 0.697 nan 8.300 nan 0.000 0.438 195 M N 6.269 125.604 119.600 -0.441 0.000 2.311 195 M HA 0.861 5.341 4.480 0.001 0.000 0.325 195 M C -1.748 174.212 176.300 -0.566 0.000 1.061 195 M CA -0.309 54.773 55.300 -0.363 0.000 0.957 195 M CB 1.621 34.183 32.600 -0.064 0.000 1.646 195 M HN 0.851 nan 8.290 nan 0.000 0.434 196 A N 3.614 126.204 122.820 -0.384 0.000 2.604 196 A HA 0.568 4.888 4.320 0.001 0.000 0.295 196 A C -1.629 175.908 177.584 -0.078 0.000 1.067 196 A CA -0.799 51.124 52.037 -0.191 0.000 0.683 196 A CB 1.537 20.477 19.000 -0.100 0.000 1.281 196 A HN 0.813 nan 8.150 nan 0.000 0.407 197 E N 1.864 122.052 120.200 -0.020 0.000 2.229 197 E HA 0.272 4.622 4.350 0.001 0.000 0.283 197 E C -1.800 174.781 176.600 -0.031 0.000 1.030 197 E CA -1.638 54.743 56.400 -0.032 0.000 0.836 197 E CB 1.208 30.909 29.700 0.000 0.000 1.068 197 E HN 0.343 nan 8.360 nan 0.000 0.401 198 P HA -0.151 nan 4.420 nan 0.000 0.215 198 P C -0.144 177.160 177.300 0.007 0.000 1.157 198 P CA 0.973 63.883 63.100 -0.317 0.000 0.874 198 P CB 0.323 31.809 31.700 -0.356 0.000 0.790 199 V N -0.103 119.851 119.914 0.067 0.000 2.487 199 V HA 0.162 4.282 4.120 0.001 0.000 0.298 199 V C 0.121 176.253 176.094 0.062 0.000 1.028 199 V CA -0.992 61.384 62.300 0.126 0.000 0.860 199 V CB 2.113 34.029 31.823 0.156 0.000 0.991 199 V HN -0.281 nan 8.190 nan 0.000 0.427 200 V N 4.573 124.520 119.914 0.056 0.000 2.843 200 V HA 0.382 4.502 4.120 0.001 0.000 0.305 200 V C 1.194 177.289 176.094 0.001 0.000 1.065 200 V CA 1.028 63.345 62.300 0.029 0.000 1.116 200 V CB 0.980 32.823 31.823 0.034 0.000 0.968 200 V HN 1.007 nan 8.190 nan 0.000 0.487 201 G N 2.244 111.029 108.800 -0.026 0.000 3.182 201 G HA2 0.411 4.371 3.960 0.001 0.000 0.167 201 G HA3 0.411 4.371 3.960 0.001 0.000 0.167 201 G C 1.331 176.153 174.900 -0.130 0.000 1.537 201 G CA 0.241 45.288 45.100 -0.087 0.000 1.046 201 G HN 0.908 nan 8.290 nan 0.000 0.580 202 A N 0.083 122.775 122.820 -0.213 0.000 1.927 202 A HA -0.157 4.164 4.320 0.001 0.000 0.220 202 A C 2.707 180.239 177.584 -0.087 0.000 1.185 202 A CA 3.449 55.359 52.037 -0.211 0.000 0.639 202 A CB -1.199 17.717 19.000 -0.140 0.000 0.820 202 A HN 1.215 nan 8.150 nan 0.000 0.451 203 S N -1.283 114.384 115.700 -0.055 0.000 2.387 203 S HA -0.156 4.315 4.470 0.001 0.000 0.230 203 S C 0.723 175.275 174.600 -0.080 0.000 1.035 203 S CA 1.499 59.667 58.200 -0.054 0.000 1.014 203 S CB -0.153 63.033 63.200 -0.023 0.000 0.836 203 S HN 0.528 nan 8.310 nan 0.000 0.466 204 D N 0.861 121.251 120.400 -0.017 0.000 2.527 204 D HA 0.453 5.093 4.640 0.001 0.000 0.242 204 D C -0.565 175.816 176.300 0.135 0.000 1.285 204 D CA -0.099 53.946 54.000 0.074 0.000 0.886 204 D CB 0.856 41.696 40.800 0.067 0.000 1.402 204 D HN 0.473 nan 8.370 nan 0.000 0.528 205 A N 2.038 124.977 122.820 0.198 0.000 2.498 205 A HA 0.258 4.578 4.320 0.001 0.000 0.287 205 A C 1.551 179.158 177.584 0.039 0.000 1.000 205 A CA 1.205 53.291 52.037 0.081 0.000 1.036 205 A CB -0.784 18.268 19.000 0.088 0.000 0.842 205 A HN 1.467 nan 8.150 nan 0.000 0.474 206 A N 1.128 123.956 122.820 0.013 0.000 2.847 206 A HA -0.160 4.160 4.320 0.001 0.000 0.263 206 A C 0.452 178.064 177.584 0.047 0.000 1.391 206 A CA 0.990 53.042 52.037 0.025 0.000 0.866 206 A CB -2.411 16.597 19.000 0.013 0.000 1.057 206 A HN 2.176 nan 8.150 nan 0.000 0.673 207 L N -0.164 121.090 121.223 0.053 0.000 2.462 207 L HA 0.529 4.869 4.340 0.001 0.000 0.272 207 L C 0.417 177.331 176.870 0.072 0.000 1.166 207 L CA 1.059 55.932 54.840 0.054 0.000 0.880 207 L CB 0.616 42.705 42.059 0.051 0.000 1.142 207 L HN 1.218 nan 8.230 nan 0.000 0.473 208 A N 6.339 129.213 122.820 0.091 0.000 2.393 208 A HA 0.837 5.158 4.320 0.001 0.000 0.306 208 A C -2.689 174.973 177.584 0.129 0.000 1.050 208 A CA -1.499 50.646 52.037 0.179 0.000 0.724 208 A CB 0.937 20.104 19.000 0.278 0.000 1.248 208 A HN 0.630 nan 8.150 nan 0.000 0.424 209 P HA 0.401 nan 4.420 nan 0.000 0.272 209 P C 0.090 177.517 177.300 0.211 0.000 1.240 209 P CA -0.012 62.985 63.100 -0.172 0.000 0.791 209 P CB 0.691 31.789 31.700 -1.003 0.000 0.978 210 A N 2.340 125.247 122.820 0.145 0.000 2.313 210 A HA 0.464 4.784 4.320 0.001 0.000 0.261 210 A C -2.195 175.608 177.584 0.364 0.000 1.090 210 A CA -1.351 50.805 52.037 0.200 0.000 0.807 210 A CB -1.288 17.784 19.000 0.120 0.000 1.055 210 A HN 0.403 nan 8.150 nan 0.000 0.492 211 P HA 0.263 nan 4.420 nan 0.000 0.267 211 P C 1.001 178.474 177.300 0.289 0.000 1.200 211 P CA 1.927 65.134 63.100 0.178 0.000 0.772 211 P CB 0.567 32.278 31.700 0.019 0.000 0.855 212 G N 0.769 109.798 108.800 0.382 0.000 2.253 212 G HA2 -0.392 3.568 3.960 0.001 0.000 0.251 212 G HA3 -0.392 3.568 3.960 0.001 0.000 0.251 212 G C 0.951 175.986 174.900 0.225 0.000 0.998 212 G CA 0.437 45.695 45.100 0.264 0.000 0.621 212 G HN 0.541 nan 8.290 nan 0.000 0.524 213 Y N 0.665 121.024 120.300 0.100 0.000 2.089 213 Y HA -0.022 4.528 4.550 0.001 0.000 0.282 213 Y C 2.714 178.385 175.900 -0.381 0.000 1.139 213 Y CA 2.684 60.646 58.100 -0.230 0.000 1.123 213 Y CB -0.289 37.905 38.460 -0.444 0.000 0.980 213 Y HN 0.282 nan 8.280 nan 0.000 0.493 214 Y N 0.511 120.793 120.300 -0.029 0.000 2.439 214 Y HA -0.122 4.428 4.550 0.001 0.000 0.292 214 Y C 2.170 178.062 175.900 -0.014 0.000 1.130 214 Y CA 1.323 59.364 58.100 -0.098 0.000 1.254 214 Y CB -0.551 37.792 38.460 -0.194 0.000 1.000 214 Y HN 0.233 nan 8.280 nan 0.000 0.554 215 E N -0.236 120.079 120.200 0.191 0.000 2.077 215 E HA -0.195 4.155 4.350 0.001 0.000 0.193 215 E C 2.225 178.832 176.600 0.012 0.000 0.989 215 E CA 1.158 57.642 56.400 0.140 0.000 0.800 215 E CB -0.115 29.678 29.700 0.156 0.000 0.746 215 E HN 0.100 nan 8.360 nan 0.000 0.452 216 R N 0.439 120.896 120.500 -0.072 0.000 2.092 216 R HA -0.039 4.302 4.340 0.001 0.000 0.231 216 R C 1.962 178.109 176.300 -0.255 0.000 1.119 216 R CA 0.948 56.953 56.100 -0.158 0.000 0.970 216 R CB -0.713 29.468 30.300 -0.199 0.000 0.864 216 R HN 0.091 nan 8.270 nan 0.000 0.440 217 V N 1.063 120.756 119.914 -0.368 0.000 2.287 217 V HA -0.247 3.874 4.120 0.001 0.000 0.248 217 V C 2.459 178.308 176.094 -0.408 0.000 1.053 217 V CA 2.199 64.211 62.300 -0.481 0.000 1.027 217 V CB -0.598 30.912 31.823 -0.521 0.000 0.646 217 V HN 0.314 nan 8.190 nan 0.000 0.447 218 R N 0.867 121.217 120.500 -0.250 0.000 2.083 218 R HA -0.182 4.158 4.340 0.001 0.000 0.237 218 R C 1.876 178.141 176.300 -0.059 0.000 1.137 218 R CA 2.243 58.290 56.100 -0.089 0.000 0.951 218 R CB -0.873 29.498 30.300 0.119 0.000 0.851 218 R HN 0.526 nan 8.270 nan 0.000 0.434 219 D N 0.018 120.379 120.400 -0.065 0.000 2.117 219 D HA -0.119 4.522 4.640 0.001 0.000 0.198 219 D C 1.886 178.137 176.300 -0.082 0.000 0.982 219 D CA 1.172 55.141 54.000 -0.051 0.000 0.828 219 D CB -0.141 40.632 40.800 -0.045 0.000 0.967 219 D HN 0.195 nan 8.370 nan 0.000 0.464 220 I N 0.901 121.385 120.570 -0.143 0.000 2.226 220 I HA -0.233 3.938 4.170 0.001 0.000 0.245 220 I C 2.483 178.521 176.117 -0.132 0.000 1.100 220 I CA 0.651 61.856 61.300 -0.158 0.000 1.374 220 I CB -1.089 36.768 38.000 -0.238 0.000 1.057 220 I HN 0.105 nan 8.210 nan 0.000 0.413 221 C N 0.732 119.946 119.300 -0.144 0.000 2.429 221 C HA -0.153 4.307 4.460 0.001 0.000 0.277 221 C C 2.469 177.459 174.990 -0.001 0.000 1.262 221 C CA 0.590 59.567 59.018 -0.068 0.000 1.733 221 C CB -0.887 26.823 27.740 -0.051 0.000 2.010 221 C HN 0.498 nan 8.230 nan 0.000 0.483 222 D N 0.611 121.013 120.400 0.004 0.000 2.117 222 D HA -0.110 4.531 4.640 0.001 0.000 0.197 222 D C 2.122 178.431 176.300 0.016 0.000 0.987 222 D CA 1.153 55.172 54.000 0.031 0.000 0.829 222 D CB -0.484 40.336 40.800 0.033 0.000 0.961 222 D HN 0.610 nan 8.370 nan 0.000 0.460 223 E N 0.446 120.639 120.200 -0.011 0.000 2.077 223 E HA -0.091 4.259 4.350 0.001 0.000 0.193 223 E C 1.954 178.544 176.600 -0.017 0.000 0.989 223 E CA 0.984 57.373 56.400 -0.017 0.000 0.800 223 E CB -0.014 29.664 29.700 -0.037 0.000 0.746 223 E HN 0.176 nan 8.360 nan 0.000 0.452 224 A N 0.228 123.032 122.820 -0.027 0.000 2.119 224 A HA 0.167 4.488 4.320 0.001 0.000 0.216 224 A C 1.788 179.370 177.584 -0.003 0.000 1.152 224 A CA 0.939 52.958 52.037 -0.031 0.000 0.708 224 A CB -0.296 18.670 19.000 -0.057 0.000 0.805 224 A HN 0.347 nan 8.150 nan 0.000 0.460 225 G N -0.275 108.547 108.800 0.035 0.000 2.160 225 G HA2 -0.235 3.726 3.960 0.001 0.000 0.244 225 G HA3 -0.235 3.726 3.960 0.001 0.000 0.244 225 G C 0.181 175.176 174.900 0.159 0.000 1.022 225 G CA 0.385 45.542 45.100 0.095 0.000 0.741 225 G HN 1.352 nan 8.290 nan 0.000 0.508 226 I N -2.054 118.589 120.570 0.122 0.000 2.676 226 I HA 0.734 4.905 4.170 0.001 0.000 0.309 226 I C 0.466 176.708 176.117 0.209 0.000 0.990 226 I CA -1.759 59.648 61.300 0.178 0.000 1.168 226 I CB 1.085 39.139 38.000 0.091 0.000 1.343 226 I HN -0.147 nan 8.210 nan 0.000 0.482 227 I N 4.376 125.088 120.570 0.236 0.000 2.471 227 I HA 0.127 4.298 4.170 0.001 0.000 0.286 227 I C -0.360 175.906 176.117 0.249 0.000 1.079 227 I CA 0.121 61.500 61.300 0.131 0.000 1.398 227 I CB 0.610 38.614 38.000 0.008 0.000 1.403 227 I HN 0.501 nan 8.210 nan 0.000 0.530 228 F N 8.722 128.709 119.950 0.061 0.000 2.371 228 F HA 0.483 5.010 4.527 0.001 0.000 0.363 228 F C -0.159 175.660 175.800 0.033 0.000 1.122 228 F CA -1.504 56.555 58.000 0.099 0.000 1.129 228 F CB 0.354 39.430 39.000 0.127 0.000 1.173 228 F HN 0.218 nan 8.300 nan 0.000 0.489 229 I N 6.224 126.845 120.570 0.085 0.000 2.339 229 I HA 0.457 4.627 4.170 0.001 0.000 0.290 229 I C -0.149 175.772 176.117 -0.327 0.000 0.994 229 I CA -0.840 60.372 61.300 -0.145 0.000 1.191 229 I CB 1.469 39.452 38.000 -0.028 0.000 1.343 229 I HN 0.712 nan 8.210 nan 0.000 0.458 230 A N 4.741 127.299 122.820 -0.436 0.000 2.249 230 A HA 0.296 4.616 4.320 0.001 0.000 0.314 230 A C -0.423 177.040 177.584 -0.201 0.000 1.290 230 A CA -0.474 51.319 52.037 -0.406 0.000 0.893 230 A CB 0.357 19.054 19.000 -0.505 0.000 1.165 230 A HN 0.678 nan 8.150 nan 0.000 0.530 231 D N 2.755 123.071 120.400 -0.141 0.000 2.422 231 D HA 0.115 4.756 4.640 0.001 0.000 0.227 231 D C 0.230 176.494 176.300 -0.059 0.000 1.190 231 D CA 0.122 54.082 54.000 -0.066 0.000 0.905 231 D CB 0.532 41.310 40.800 -0.037 0.000 1.034 231 D HN 0.542 nan 8.370 nan 0.000 0.507 232 E N 2.801 122.974 120.200 -0.045 0.000 2.496 232 E HA 0.041 4.392 4.350 0.001 0.000 0.200 232 E C 1.687 178.293 176.600 0.010 0.000 1.016 232 E CA -0.080 56.303 56.400 -0.028 0.000 0.962 232 E CB 0.924 30.599 29.700 -0.042 0.000 1.071 232 E HN 0.336 nan 8.360 nan 0.000 0.457 233 V N 0.921 120.848 119.914 0.021 0.000 2.380 233 V HA -0.265 3.856 4.120 0.001 0.000 0.251 233 V C 2.207 178.329 176.094 0.046 0.000 1.063 233 V CA 1.930 64.255 62.300 0.042 0.000 1.055 233 V CB -0.322 31.529 31.823 0.046 0.000 0.657 233 V HN 0.342 nan 8.190 nan 0.000 0.455 234 M N -0.295 119.326 119.600 0.036 0.000 2.653 234 M HA -0.003 4.477 4.480 0.001 0.000 0.259 234 M C 2.046 178.366 176.300 0.033 0.000 1.244 234 M CA 1.173 56.497 55.300 0.040 0.000 1.163 234 M CB 0.308 32.925 32.600 0.029 0.000 1.309 234 M HN 0.426 nan 8.290 nan 0.000 0.509 235 S N -0.205 115.510 115.700 0.024 0.000 2.558 235 S HA 0.230 4.701 4.470 0.001 0.000 0.217 235 S C 1.039 175.657 174.600 0.030 0.000 0.975 235 S CA 0.031 58.248 58.200 0.028 0.000 0.912 235 S CB -0.572 62.643 63.200 0.025 0.000 0.776 235 S HN 0.443 nan 8.310 nan 0.000 0.526 236 G N 0.551 109.369 108.800 0.029 0.000 2.563 236 G HA2 0.482 4.443 3.960 0.001 0.000 0.283 236 G HA3 0.482 4.443 3.960 0.001 0.000 0.283 236 G C 0.241 175.184 174.900 0.071 0.000 1.309 236 G CA -0.767 44.354 45.100 0.035 0.000 1.022 236 G HN 0.262 nan 8.290 nan 0.000 0.501 237 M N -0.806 118.863 119.600 0.114 0.000 2.360 237 M HA -0.207 4.273 4.480 0.001 0.000 0.202 237 M C 1.455 177.874 176.300 0.200 0.000 0.390 237 M CA 1.196 56.624 55.300 0.214 0.000 0.470 237 M CB -2.337 30.346 32.600 0.138 0.000 1.637 237 M HN 2.256 nan 8.290 nan 0.000 0.885 238 G N -0.934 107.966 108.800 0.167 0.000 2.253 238 G HA2 -0.412 3.549 3.960 0.001 0.000 0.251 238 G HA3 -0.412 3.549 3.960 0.001 0.000 0.251 238 G C 0.757 175.700 174.900 0.071 0.000 0.998 238 G CA 1.059 46.237 45.100 0.130 0.000 0.621 238 G HN 0.558 nan 8.290 nan 0.000 0.524 239 R N 0.491 121.028 120.500 0.062 0.000 2.134 239 R HA -0.073 4.267 4.340 0.001 0.000 0.248 239 R C 2.019 178.341 176.300 0.036 0.000 1.143 239 R CA 2.700 58.827 56.100 0.044 0.000 0.957 239 R CB -0.948 29.378 30.300 0.044 0.000 0.867 239 R HN 0.609 nan 8.270 nan 0.000 0.441 240 C N -0.346 118.977 119.300 0.038 0.000 2.435 240 C HA 0.467 4.927 4.460 0.001 0.000 0.326 240 C C 1.028 176.029 174.990 0.018 0.000 1.328 240 C CA 0.013 59.052 59.018 0.035 0.000 1.741 240 C CB -0.773 27.002 27.740 0.058 0.000 1.998 240 C HN 0.794 nan 8.230 nan 0.000 0.585 241 G N 1.242 110.052 108.800 0.017 0.000 2.143 241 G HA2 -0.183 3.777 3.960 0.001 0.000 0.248 241 G HA3 -0.183 3.777 3.960 0.001 0.000 0.248 241 G C 0.045 174.940 174.900 -0.008 0.000 0.991 241 G CA 0.627 45.730 45.100 0.005 0.000 0.689 241 G HN 0.752 nan 8.290 nan 0.000 0.522 242 S N -1.224 114.472 115.700 -0.007 0.000 2.537 242 S HA 0.711 5.181 4.470 0.001 0.000 0.270 242 S C -1.511 173.045 174.600 -0.075 0.000 1.142 242 S CA -0.256 57.916 58.200 -0.047 0.000 0.870 242 S CB 1.663 64.840 63.200 -0.039 0.000 1.112 242 S HN -0.126 nan 8.310 nan 0.000 0.466 243 P HA 0.002 nan 4.420 nan 0.000 0.216 243 P C -0.417 176.780 177.300 -0.171 0.000 1.157 243 P CA 1.330 64.195 63.100 -0.392 0.000 0.880 243 P CB 0.120 31.315 31.700 -0.842 0.000 0.791 244 L N -2.605 118.523 121.223 -0.157 0.000 2.386 244 L HA 0.465 4.805 4.340 0.001 0.000 0.271 244 L C 1.205 178.052 176.870 -0.038 0.000 0.993 244 L CA -0.876 53.908 54.840 -0.093 0.000 0.819 244 L CB 1.897 43.874 42.059 -0.138 0.000 1.294 244 L HN -0.197 nan 8.230 nan 0.000 0.414 245 A N 2.554 125.377 122.820 0.006 0.000 1.978 245 A HA -0.176 4.145 4.320 0.001 0.000 0.220 245 A C 1.868 179.569 177.584 0.195 0.000 1.170 245 A CA 1.417 53.512 52.037 0.097 0.000 0.636 245 A CB -0.332 18.737 19.000 0.114 0.000 0.810 245 A HN 0.708 nan 8.150 nan 0.000 0.448 246 L N 0.162 121.408 121.223 0.038 0.000 2.127 246 L HA -0.134 4.207 4.340 0.001 0.000 0.211 246 L C 2.385 179.385 176.870 0.216 0.000 1.089 246 L CA 2.400 57.243 54.840 0.005 0.000 0.757 246 L CB -0.568 41.370 42.059 -0.202 0.000 0.899 246 L HN 0.293 nan 8.230 nan 0.000 0.434 247 S N -0.687 115.077 115.700 0.107 0.000 2.469 247 S HA -0.136 4.334 4.470 0.001 0.000 0.238 247 S C 1.867 176.545 174.600 0.131 0.000 0.998 247 S CA 0.796 59.048 58.200 0.087 0.000 0.957 247 S CB -0.385 62.800 63.200 -0.025 0.000 0.764 247 S HN 0.490 nan 8.310 nan 0.000 0.514 248 R N 0.004 120.607 120.500 0.172 0.000 2.193 248 R HA -0.033 4.307 4.340 0.001 0.000 0.229 248 R C 0.181 176.458 176.300 -0.040 0.000 1.110 248 R CA 0.589 56.686 56.100 -0.006 0.000 0.988 248 R CB 0.018 30.216 30.300 -0.169 0.000 0.871 248 R HN 0.444 nan 8.270 nan 0.000 0.458 249 W N 1.818 123.179 121.300 0.101 0.000 2.085 249 W HA 0.127 4.788 4.660 0.001 0.000 0.392 249 W C 0.034 176.618 176.519 0.109 0.000 0.862 249 W CA -0.277 57.158 57.345 0.150 0.000 1.542 249 W CB 0.305 29.942 29.460 0.295 0.000 1.672 249 W HN 0.110 nan 8.180 nan 0.000 0.309 250 S N 0.683 116.491 115.700 0.180 0.000 3.533 250 S HA -0.228 4.243 4.470 0.001 0.000 0.347 250 S C 1.248 175.916 174.600 0.114 0.000 1.101 250 S CA 1.295 59.570 58.200 0.125 0.000 1.009 250 S CB -1.523 61.761 63.200 0.140 0.000 0.916 250 S HN 1.024 nan 8.310 nan 0.000 0.496 251 G N -1.135 107.728 108.800 0.105 0.000 2.168 251 G HA2 -0.308 3.652 3.960 0.001 0.000 0.257 251 G HA3 -0.308 3.652 3.960 0.001 0.000 0.257 251 G C 0.199 175.147 174.900 0.080 0.000 0.997 251 G CA 0.039 45.177 45.100 0.063 0.000 0.708 251 G HN 1.188 nan 8.290 nan 0.000 0.520 252 V N 1.412 121.417 119.914 0.152 0.000 2.788 252 V HA 0.440 4.561 4.120 0.001 0.000 0.307 252 V C 1.200 177.348 176.094 0.090 0.000 1.069 252 V CA 1.096 63.495 62.300 0.165 0.000 1.173 252 V CB 1.025 33.011 31.823 0.272 0.000 0.925 252 V HN 0.900 nan 8.190 nan 0.000 0.492 253 T N 4.332 118.934 114.554 0.080 0.000 2.863 253 T HA 0.695 5.046 4.350 0.001 0.000 0.285 253 T C -2.565 172.154 174.700 0.033 0.000 1.009 253 T CA -1.782 60.310 62.100 -0.013 0.000 0.989 253 T CB 2.429 71.266 68.868 -0.051 0.000 1.004 253 T HN 0.538 nan 8.240 nan 0.000 0.455 254 P HA 0.475 nan 4.420 nan 0.000 0.287 254 P C -0.284 177.062 177.300 0.077 0.000 1.296 254 P CA -0.434 62.525 63.100 -0.235 0.000 0.811 254 P CB 1.289 32.611 31.700 -0.630 0.000 1.211 255 D N -0.814 119.614 120.400 0.047 0.000 2.271 255 D HA 0.182 4.823 4.640 0.001 0.000 0.206 255 D C 0.541 176.863 176.300 0.036 0.000 0.967 255 D CA 1.156 55.185 54.000 0.047 0.000 0.867 255 D CB 0.477 41.255 40.800 -0.037 0.000 0.960 255 D HN 0.309 nan 8.370 nan 0.000 0.509 256 I N 0.523 121.098 120.570 0.008 0.000 2.571 256 I HA 0.378 4.548 4.170 0.001 0.000 0.289 256 I C -1.077 175.026 176.117 -0.024 0.000 1.115 256 I CA -0.876 60.439 61.300 0.025 0.000 1.045 256 I CB 2.432 40.423 38.000 -0.016 0.000 1.238 256 I HN -0.248 nan 8.210 nan 0.000 0.424 257 A N 6.423 129.262 122.820 0.033 0.000 2.287 257 A HA 0.779 5.099 4.320 0.001 0.000 0.317 257 A C -0.690 176.912 177.584 0.029 0.000 1.220 257 A CA -0.516 51.499 52.037 -0.035 0.000 0.835 257 A CB 1.106 20.066 19.000 -0.067 0.000 1.180 257 A HN 0.419 nan 8.150 nan 0.000 0.500 258 V N 4.178 124.097 119.914 0.008 0.000 2.407 258 V HA 0.437 4.557 4.120 0.001 0.000 0.278 258 V C -0.010 176.119 176.094 0.058 0.000 1.037 258 V CA -0.116 62.217 62.300 0.055 0.000 0.900 258 V CB 0.709 32.559 31.823 0.045 0.000 0.983 258 V HN 0.760 nan 8.190 nan 0.000 0.459 259 L N 4.036 125.321 121.223 0.104 0.000 2.319 259 L HA 1.048 5.388 4.340 0.001 0.000 0.267 259 L C 0.543 177.478 176.870 0.108 0.000 1.011 259 L CA -0.319 54.585 54.840 0.107 0.000 0.818 259 L CB 2.201 44.347 42.059 0.145 0.000 1.316 259 L HN 0.831 nan 8.230 nan 0.000 0.432 260 G N -0.578 108.278 108.800 0.092 0.000 2.427 260 G HA2 0.298 4.258 3.960 0.001 0.000 0.306 260 G HA3 0.298 4.258 3.960 0.001 0.000 0.306 260 G C -0.594 174.348 174.900 0.070 0.000 1.280 260 G CA -0.251 44.897 45.100 0.080 0.000 0.837 260 G HN 0.517 nan 8.290 nan 0.000 0.482 261 K N -1.446 118.989 120.400 0.058 0.000 10.016 261 K HA -0.332 3.988 4.320 0.001 0.000 0.490 261 K C 2.017 178.647 176.600 0.051 0.000 0.480 261 K CA 2.561 58.879 56.287 0.051 0.000 1.713 261 K CB -1.513 31.023 32.500 0.059 0.000 0.812 261 K HN 1.075 nan 8.250 nan 0.000 1.161 262 G N 0.794 109.628 108.800 0.056 0.000 2.679 262 G HA2 -0.067 3.893 3.960 0.001 0.000 0.212 262 G HA3 -0.067 3.893 3.960 0.001 0.000 0.212 262 G C 1.213 176.150 174.900 0.061 0.000 1.137 262 G CA 0.616 45.748 45.100 0.053 0.000 0.787 262 G HN 0.179 nan 8.290 nan 0.000 0.534 263 L N 1.193 122.462 121.223 0.076 0.000 1.989 263 L HA 0.058 4.398 4.340 0.001 0.000 0.211 263 L C 2.652 179.564 176.870 0.071 0.000 1.071 263 L CA 2.290 57.187 54.840 0.095 0.000 0.749 263 L CB -0.332 41.809 42.059 0.137 0.000 0.890 263 L HN 0.210 nan 8.230 nan 0.000 0.431 264 A N -1.926 120.932 122.820 0.063 0.000 2.430 264 A HA 0.587 4.908 4.320 0.001 0.000 0.243 264 A C 1.248 178.916 177.584 0.140 0.000 1.254 264 A CA 0.432 52.506 52.037 0.062 0.000 0.914 264 A CB -0.577 18.450 19.000 0.045 0.000 0.998 264 A HN 0.763 nan 8.150 nan 0.000 0.515 265 A N -1.251 121.630 122.820 0.101 0.000 2.665 265 A HA 0.126 4.446 4.320 0.001 0.000 0.301 265 A C 1.958 179.565 177.584 0.038 0.000 1.509 265 A CA 1.545 53.641 52.037 0.099 0.000 0.789 265 A CB -1.879 17.204 19.000 0.138 0.000 1.024 265 A HN 2.473 nan 8.150 nan 0.000 0.460 266 G N -3.603 105.179 108.800 -0.029 0.000 2.176 266 G HA2 -0.376 3.584 3.960 0.001 0.000 0.253 266 G HA3 -0.376 3.584 3.960 0.001 0.000 0.253 266 G C 0.520 175.234 174.900 -0.311 0.000 0.979 266 G CA 1.015 46.014 45.100 -0.168 0.000 0.641 266 G HN 1.191 nan 8.290 nan 0.000 0.530 267 Y N 0.772 121.066 120.300 -0.010 0.000 2.490 267 Y HA 0.560 5.110 4.550 0.001 0.000 0.285 267 Y C 1.608 177.500 175.900 -0.014 0.000 1.117 267 Y CA 1.374 59.467 58.100 -0.011 0.000 1.262 267 Y CB 0.532 38.976 38.460 -0.026 0.000 1.043 267 Y HN 0.833 nan 8.280 nan 0.000 0.553 268 A N -0.733 122.131 122.820 0.073 0.000 2.605 268 A HA 0.573 4.893 4.320 0.001 0.000 0.294 268 A C -2.971 174.624 177.584 0.018 0.000 1.062 268 A CA -1.478 50.585 52.037 0.043 0.000 0.682 268 A CB 0.552 19.590 19.000 0.062 0.000 1.278 268 A HN -0.167 nan 8.150 nan 0.000 0.410 269 P HA 0.484 nan 4.420 nan 0.000 0.273 269 P C -1.120 176.187 177.300 0.013 0.000 1.428 269 P CA 0.189 63.282 63.100 -0.013 0.000 0.995 269 P CB 0.276 31.942 31.700 -0.056 0.000 1.286 270 L N 3.180 124.419 121.223 0.027 0.000 2.431 270 L HA 0.866 5.206 4.340 0.001 0.000 0.266 270 L C -1.043 175.869 176.870 0.070 0.000 0.978 270 L CA -0.583 54.286 54.840 0.048 0.000 0.822 270 L CB 1.961 44.050 42.059 0.050 0.000 1.310 270 L HN 0.396 nan 8.230 nan 0.000 0.409 271 A N 2.206 125.071 122.820 0.075 0.000 2.515 271 A HA 1.026 5.347 4.320 0.001 0.000 0.299 271 A C -0.471 177.166 177.584 0.089 0.000 1.179 271 A CA -0.070 52.023 52.037 0.093 0.000 0.656 271 A CB 1.043 20.065 19.000 0.037 0.000 1.306 271 A HN 1.687 nan 8.150 nan 0.000 0.459 272 G N -1.978 106.885 108.800 0.105 0.000 2.327 272 G HA2 0.637 4.598 3.960 0.001 0.000 0.291 272 G HA3 0.637 4.598 3.960 0.001 0.000 0.291 272 G C -1.860 173.148 174.900 0.181 0.000 1.290 272 G CA 0.202 45.319 45.100 0.029 0.000 0.857 272 G HN 2.184 nan 8.290 nan 0.000 0.520 273 L N -2.329 119.008 121.223 0.189 0.000 2.415 273 L HA 0.953 5.294 4.340 0.001 0.000 0.256 273 L C -0.991 176.056 176.870 0.295 0.000 1.010 273 L CA -1.131 53.848 54.840 0.233 0.000 0.826 273 L CB 1.874 44.050 42.059 0.195 0.000 1.405 273 L HN 0.587 nan 8.230 nan 0.000 0.410 274 L N 1.982 123.361 121.223 0.259 0.000 2.325 274 L HA 0.922 5.263 4.340 0.001 0.000 0.281 274 L C -0.181 176.877 176.870 0.313 0.000 1.004 274 L CA -0.678 54.346 54.840 0.307 0.000 0.823 274 L CB 1.769 43.983 42.059 0.259 0.000 1.236 274 L HN 0.990 nan 8.230 nan 0.000 0.415 275 A N 2.814 125.720 122.820 0.143 0.000 2.337 275 A HA 0.860 5.181 4.320 0.001 0.000 0.329 275 A C 0.027 177.240 177.584 -0.618 0.000 1.146 275 A CA -0.495 51.473 52.037 -0.115 0.000 0.800 275 A CB 1.417 20.323 19.000 -0.157 0.000 1.220 275 A HN 0.753 nan 8.150 nan 0.000 0.472 276 A N 3.191 125.373 122.820 -1.062 0.000 2.483 276 A HA 0.484 4.804 4.320 0.001 0.000 0.238 276 A C -1.420 175.779 177.584 -0.642 0.000 1.070 276 A CA -0.772 50.352 52.037 -1.522 0.000 0.770 276 A CB -0.396 18.076 19.000 -0.880 0.000 1.008 276 A HN 0.592 nan 8.150 nan 0.000 0.497 277 P HA -0.251 nan 4.420 nan 0.000 0.216 277 P C 1.622 178.891 177.300 -0.052 0.000 1.154 277 P CA 1.857 64.878 63.100 -0.132 0.000 0.865 277 P CB 0.166 31.822 31.700 -0.074 0.000 0.789 278 Q N -0.064 119.681 119.800 -0.092 0.000 2.096 278 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 278 Q C 1.827 177.852 176.000 0.041 0.000 0.982 278 Q CA 2.000 57.797 55.803 -0.009 0.000 0.850 278 Q CB -1.282 27.456 28.738 -0.001 0.000 0.901 278 Q HN 0.031 nan 8.270 nan 0.000 0.422 279 V N 0.146 120.010 119.914 -0.084 0.000 2.307 279 V HA -0.217 3.903 4.120 0.001 0.000 0.245 279 V C 2.063 178.150 176.094 -0.012 0.000 1.045 279 V CA 1.919 64.168 62.300 -0.084 0.000 1.024 279 V CB -0.959 30.673 31.823 -0.318 0.000 0.651 279 V HN 0.506 nan 8.190 nan 0.000 0.449 280 Y N 1.614 121.805 120.300 -0.183 0.000 2.097 280 Y HA -0.255 4.295 4.550 0.001 0.000 0.282 280 Y C 2.510 178.344 175.900 -0.110 0.000 1.152 280 Y CA 2.129 60.117 58.100 -0.185 0.000 1.136 280 Y CB -0.386 37.967 38.460 -0.178 0.000 0.975 280 Y HN 0.374 nan 8.280 nan 0.000 0.498 281 E N -0.988 119.113 120.200 -0.165 0.000 2.153 281 E HA -0.181 4.169 4.350 0.001 0.000 0.194 281 E C 2.057 178.550 176.600 -0.178 0.000 0.988 281 E CA 1.712 57.978 56.400 -0.224 0.000 0.811 281 E CB -0.212 29.450 29.700 -0.063 0.000 0.746 281 E HN 0.457 nan 8.360 nan 0.000 0.466 282 T N 0.544 115.049 114.554 -0.082 0.000 2.777 282 T HA -0.121 4.229 4.350 0.001 0.000 0.266 282 T C 1.996 176.641 174.700 -0.092 0.000 1.040 282 T CA 1.026 63.087 62.100 -0.065 0.000 1.141 282 T CB -0.151 68.719 68.868 0.004 0.000 0.868 282 T HN 0.060 nan 8.240 nan 0.000 0.444 283 V N 1.283 121.136 119.914 -0.102 0.000 2.548 283 V HA -0.066 4.054 4.120 0.001 0.000 0.249 283 V C 2.139 178.142 176.094 -0.150 0.000 1.055 283 V CA 1.262 63.509 62.300 -0.088 0.000 1.065 283 V CB -0.461 31.309 31.823 -0.089 0.000 0.681 283 V HN 0.360 nan 8.190 nan 0.000 0.462 284 M N 0.603 120.019 119.600 -0.306 0.000 2.229 284 M HA 0.115 4.595 4.480 0.001 0.000 0.264 284 M C 1.380 177.578 176.300 -0.170 0.000 1.063 284 M CA 1.129 56.246 55.300 -0.306 0.000 1.114 284 M CB -1.729 30.551 32.600 -0.535 0.000 1.387 284 M HN 0.457 nan 8.290 nan 0.000 0.420 285 G N -0.477 108.235 108.800 -0.147 0.000 2.634 285 G HA2 0.431 4.391 3.960 0.001 0.000 0.255 285 G HA3 0.431 4.391 3.960 0.001 0.000 0.255 285 G C 0.441 175.303 174.900 -0.063 0.000 1.205 285 G CA 0.053 45.097 45.100 -0.093 0.000 0.884 285 G HN 0.613 nan 8.290 nan 0.000 0.549 291 M N -0.241 119.156 119.600 -0.337 0.000 2.569 291 M HA 0.340 4.820 4.480 0.001 0.000 0.279 291 M C -0.449 175.833 176.300 -0.029 0.000 1.253 291 M CA -0.533 54.646 55.300 -0.201 0.000 0.867 291 M CB 2.290 34.758 32.600 -0.220 0.000 1.727 291 M HN 0.216 nan 8.290 nan 0.000 0.467 292 H N 0.091 119.194 119.070 0.054 0.000 2.426 292 H HA 0.301 4.857 4.556 0.001 0.000 0.286 292 H C 1.517 176.920 175.328 0.125 0.000 0.990 292 H CA 0.842 56.949 56.048 0.099 0.000 1.237 292 H CB -0.292 29.483 29.762 0.021 0.000 1.466 292 H HN 0.804 nan 8.280 nan 0.000 0.525 293 G N 0.657 109.514 108.800 0.096 0.000 2.611 293 G HA2 -0.064 3.897 3.960 0.001 0.000 0.147 293 G HA3 -0.064 3.897 3.960 0.001 0.000 0.147 293 G C -0.725 174.234 174.900 0.099 0.000 1.798 293 G CA 0.167 45.255 45.100 -0.021 0.000 0.973 293 G HN 0.337 nan 8.290 nan 0.000 0.416 294 F N -0.248 119.776 119.950 0.123 0.000 2.442 294 F HA -0.198 4.330 4.527 0.001 0.000 0.255 294 F C 1.890 177.687 175.800 -0.004 0.000 1.042 294 F CA 0.398 58.433 58.000 0.059 0.000 0.979 294 F CB -2.288 36.724 39.000 0.019 0.000 1.158 294 F HN 0.292 nan 8.300 nan 0.000 0.818 295 T N -0.763 113.914 114.554 0.205 0.000 2.665 295 T HA -0.266 4.084 4.350 0.001 0.000 0.268 295 T C 1.352 176.039 174.700 -0.023 0.000 1.035 295 T CA 2.090 64.264 62.100 0.123 0.000 1.151 295 T CB -0.245 68.681 68.868 0.098 0.000 0.862 295 T HN 0.522 nan 8.240 nan 0.000 0.438 296 Y N 1.034 121.414 120.300 0.133 0.000 2.493 296 Y HA 0.561 5.112 4.550 0.001 0.000 0.275 296 Y C 1.134 177.032 175.900 -0.005 0.000 1.183 296 Y CA -1.087 57.072 58.100 0.098 0.000 1.258 296 Y CB -0.276 38.186 38.460 0.003 0.000 1.108 296 Y HN 0.118 nan 8.280 nan 0.000 0.521 297 A N 0.149 122.964 122.820 -0.007 0.000 2.492 297 A HA 0.427 4.747 4.320 0.001 0.000 0.254 297 A C 1.566 179.004 177.584 -0.243 0.000 1.091 297 A CA 0.759 52.654 52.037 -0.236 0.000 0.768 297 A CB -0.725 18.027 19.000 -0.414 0.000 1.028 297 A HN 0.887 nan 8.150 nan 0.000 0.498 298 G N 1.458 110.130 108.800 -0.214 0.000 2.159 298 G HA2 -0.267 3.693 3.960 0.001 0.000 0.256 298 G HA3 -0.267 3.693 3.960 0.001 0.000 0.256 298 G C 0.296 175.177 174.900 -0.033 0.000 0.977 298 G CA 0.611 45.628 45.100 -0.139 0.000 0.652 298 G HN 1.837 nan 8.290 nan 0.000 0.531 299 H N 1.990 121.032 119.070 -0.045 0.000 3.231 299 H HA 0.184 4.741 4.556 0.001 0.000 0.280 299 H C -0.521 174.819 175.328 0.020 0.000 0.901 299 H CA -0.002 56.079 56.048 0.055 0.000 1.414 299 H CB 0.582 30.509 29.762 0.275 0.000 1.433 299 H HN 0.182 nan 8.280 nan 0.000 0.549 300 P HA -0.239 nan 4.420 nan 0.000 0.215 300 P C 1.513 178.589 177.300 -0.373 0.000 1.157 300 P CA 1.642 64.572 63.100 -0.284 0.000 0.874 300 P CB 0.221 31.806 31.700 -0.191 0.000 0.790 301 V N -0.690 118.839 119.914 -0.643 0.000 2.427 301 V HA -0.202 3.919 4.120 0.001 0.000 0.248 301 V C 2.324 178.280 176.094 -0.229 0.000 1.051 301 V CA 2.279 64.364 62.300 -0.358 0.000 1.048 301 V CB -1.429 30.271 31.823 -0.205 0.000 0.666 301 V HN 0.149 nan 8.190 nan 0.000 0.456 302 S N -0.123 115.450 115.700 -0.212 0.000 2.383 302 S HA -0.123 4.347 4.470 0.001 0.000 0.227 302 S C 2.020 176.545 174.600 -0.125 0.000 1.026 302 S CA 1.297 59.495 58.200 -0.003 0.000 0.981 302 S CB -0.091 63.230 63.200 0.202 0.000 0.818 302 S HN 0.390 nan 8.310 nan 0.000 0.472 303 V N 2.017 121.823 119.914 -0.180 0.000 2.358 303 V HA -0.159 3.961 4.120 0.001 0.000 0.246 303 V C 2.631 178.487 176.094 -0.396 0.000 1.047 303 V CA 1.593 63.712 62.300 -0.303 0.000 1.035 303 V CB -1.155 30.573 31.823 -0.158 0.000 0.658 303 V HN 0.529 nan 8.190 nan 0.000 0.452 304 A N 0.049 122.721 122.820 -0.247 0.000 1.933 304 A HA -0.131 4.189 4.320 0.001 0.000 0.218 304 A C 2.417 179.877 177.584 -0.205 0.000 1.175 304 A CA 2.068 53.986 52.037 -0.199 0.000 0.628 304 A CB -0.685 18.232 19.000 -0.139 0.000 0.814 304 A HN 0.566 nan 8.150 nan 0.000 0.444 305 A N -0.464 122.248 122.820 -0.180 0.000 1.902 305 A HA 0.141 4.461 4.320 0.001 0.000 0.217 305 A C 2.421 179.890 177.584 -0.192 0.000 1.181 305 A CA 1.878 53.835 52.037 -0.134 0.000 0.623 305 A CB -1.381 17.599 19.000 -0.032 0.000 0.818 305 A HN 0.716 nan 8.150 nan 0.000 0.443 306 G N -0.180 108.429 108.800 -0.319 0.000 2.418 306 G HA2 -0.164 3.796 3.960 0.001 0.000 0.217 306 G HA3 -0.164 3.796 3.960 0.001 0.000 0.217 306 G C 1.493 176.184 174.900 -0.348 0.000 1.158 306 G CA 1.234 46.086 45.100 -0.413 0.000 0.771 306 G HN 0.481 nan 8.290 nan 0.000 0.545 307 L N 1.007 121.953 121.223 -0.462 0.000 2.046 307 L HA 0.016 4.357 4.340 0.001 0.000 0.208 307 L C 2.891 179.712 176.870 -0.082 0.000 1.077 307 L CA 2.481 57.272 54.840 -0.083 0.000 0.747 307 L CB -0.753 41.271 42.059 -0.059 0.000 0.896 307 L HN 0.237 nan 8.230 nan 0.000 0.432 308 S N -1.569 114.048 115.700 -0.138 0.000 2.368 308 S HA -0.134 4.336 4.470 0.001 0.000 0.224 308 S C 1.972 176.476 174.600 -0.159 0.000 1.029 308 S CA 1.383 59.498 58.200 -0.142 0.000 0.988 308 S CB -0.353 62.746 63.200 -0.168 0.000 0.838 308 S HN 0.303 nan 8.310 nan 0.000 0.462 309 V N 1.933 121.748 119.914 -0.165 0.000 2.343 309 V HA -0.109 4.011 4.120 0.001 0.000 0.247 309 V C 2.415 178.418 176.094 -0.151 0.000 1.051 309 V CA 1.735 63.943 62.300 -0.154 0.000 1.036 309 V CB -0.682 31.084 31.823 -0.095 0.000 0.654 309 V HN 0.494 nan 8.190 nan 0.000 0.451 310 L N 0.363 121.505 121.223 -0.134 0.000 2.046 310 L HA -0.166 4.174 4.340 0.001 0.000 0.208 310 L C 2.119 178.850 176.870 -0.232 0.000 1.077 310 L CA 2.017 56.720 54.840 -0.227 0.000 0.747 310 L CB -0.960 41.017 42.059 -0.136 0.000 0.896 310 L HN 0.311 nan 8.230 nan 0.000 0.432 311 D N -0.229 120.083 120.400 -0.147 0.000 2.123 311 D HA -0.223 4.418 4.640 0.001 0.000 0.196 311 D C 2.308 178.533 176.300 -0.124 0.000 0.992 311 D CA 2.008 55.936 54.000 -0.121 0.000 0.833 311 D CB -0.115 40.629 40.800 -0.092 0.000 0.954 311 D HN 0.454 nan 8.370 nan 0.000 0.455 312 I N 0.418 120.908 120.570 -0.132 0.000 2.202 312 I HA -0.205 3.966 4.170 0.001 0.000 0.242 312 I C 2.485 178.533 176.117 -0.115 0.000 1.091 312 I CA 0.475 61.707 61.300 -0.114 0.000 1.368 312 I CB -0.165 37.763 38.000 -0.120 0.000 1.058 312 I HN -0.130 nan 8.210 nan 0.000 0.410 313 V N 0.955 120.770 119.914 -0.164 0.000 2.332 313 V HA -0.287 3.834 4.120 0.001 0.000 0.248 313 V C 2.343 178.348 176.094 -0.148 0.000 1.055 313 V CA 1.989 64.184 62.300 -0.175 0.000 1.038 313 V CB -0.663 30.973 31.823 -0.312 0.000 0.651 313 V HN 0.463 nan 8.190 nan 0.000 0.450 314 E N -0.295 119.789 120.200 -0.192 0.000 2.051 314 E HA -0.178 4.172 4.350 0.001 0.000 0.189 314 E C 2.431 179.009 176.600 -0.035 0.000 0.979 314 E CA 0.883 57.233 56.400 -0.084 0.000 0.803 314 E CB -0.217 29.425 29.700 -0.097 0.000 0.761 314 E HN 0.431 nan 8.360 nan 0.000 0.451 315 R N 1.341 121.808 120.500 -0.054 0.000 2.091 315 R HA -0.166 4.175 4.340 0.001 0.000 0.238 315 R C 1.462 177.748 176.300 -0.023 0.000 1.136 315 R CA 1.528 57.607 56.100 -0.035 0.000 0.959 315 R CB 0.076 30.350 30.300 -0.043 0.000 0.856 315 R HN 0.158 nan 8.270 nan 0.000 0.437 316 E N 0.026 120.209 120.200 -0.029 0.000 2.479 316 E HA -0.057 4.293 4.350 0.001 0.000 0.193 316 E C -0.458 176.141 176.600 -0.003 0.000 1.049 316 E CA 0.140 56.530 56.400 -0.016 0.000 0.870 316 E CB 0.222 29.909 29.700 -0.022 0.000 0.944 316 E HN 0.273 nan 8.360 nan 0.000 0.492 317 D N 0.799 121.202 120.400 0.005 0.000 2.735 317 D HA -0.208 4.432 4.640 0.001 0.000 0.235 317 D C 0.403 176.721 176.300 0.030 0.000 1.175 317 D CA 0.266 54.284 54.000 0.029 0.000 0.683 317 D CB -1.103 39.712 40.800 0.025 0.000 1.008 317 D HN 0.274 nan 8.370 nan 0.000 0.416 318 L N -0.182 121.056 121.223 0.025 0.000 2.362 318 L HA -0.094 4.247 4.340 0.001 0.000 0.219 318 L C 2.380 179.278 176.870 0.047 0.000 1.134 318 L CA 1.378 56.232 54.840 0.024 0.000 0.807 318 L CB -0.393 41.669 42.059 0.005 0.000 0.927 318 L HN 0.235 nan 8.230 nan 0.000 0.447 319 T N -0.309 114.295 114.554 0.084 0.000 2.777 319 T HA -0.091 4.259 4.350 0.001 0.000 0.266 319 T C 1.875 176.600 174.700 0.042 0.000 1.040 319 T CA 1.362 63.513 62.100 0.086 0.000 1.141 319 T CB -0.298 68.644 68.868 0.124 0.000 0.868 319 T HN 0.540 nan 8.240 nan 0.000 0.444 320 G N 0.914 109.735 108.800 0.036 0.000 2.408 320 G HA2 0.034 3.995 3.960 0.001 0.000 0.217 320 G HA3 0.034 3.995 3.960 0.001 0.000 0.217 320 G C 1.801 176.708 174.900 0.012 0.000 1.150 320 G CA 0.798 45.908 45.100 0.017 0.000 0.776 320 G HN 0.555 nan 8.290 nan 0.000 0.542 321 A N 1.267 124.097 122.820 0.016 0.000 1.902 321 A HA 0.289 4.609 4.320 0.001 0.000 0.217 321 A C 2.795 180.384 177.584 0.009 0.000 1.181 321 A CA 2.102 54.145 52.037 0.010 0.000 0.623 321 A CB -0.738 18.267 19.000 0.009 0.000 0.818 321 A HN 0.732 nan 8.150 nan 0.000 0.443 322 A N -0.084 122.744 122.820 0.013 0.000 1.933 322 A HA -0.171 4.149 4.320 0.001 0.000 0.218 322 A C 2.092 179.680 177.584 0.005 0.000 1.175 322 A CA 1.837 53.881 52.037 0.012 0.000 0.628 322 A CB -0.394 18.619 19.000 0.020 0.000 0.814 322 A HN 0.580 nan 8.150 nan 0.000 0.444 323 K N -0.623 119.778 120.400 0.003 0.000 2.001 323 K HA -0.161 4.159 4.320 0.001 0.000 0.208 323 K C 2.183 178.780 176.600 -0.005 0.000 1.048 323 K CA 1.527 57.811 56.287 -0.006 0.000 0.932 323 K CB -0.173 32.322 32.500 -0.010 0.000 0.715 323 K HN 0.683 nan 8.250 nan 0.000 0.437 324 E N 0.802 121.001 120.200 -0.002 0.000 2.028 324 E HA -0.168 4.183 4.350 0.001 0.000 0.191 324 E C 2.141 178.741 176.600 -0.000 0.000 0.988 324 E CA 0.938 57.337 56.400 -0.002 0.000 0.799 324 E CB 0.242 29.942 29.700 0.001 0.000 0.755 324 E HN 0.096 nan 8.360 nan 0.000 0.447 325 R N -0.166 120.335 120.500 0.001 0.000 2.115 325 R HA -0.049 4.291 4.340 0.001 0.000 0.230 325 R C 2.353 178.653 176.300 0.001 0.000 1.111 325 R CA 1.064 57.164 56.100 0.001 0.000 0.976 325 R CB -0.854 29.446 30.300 0.000 0.000 0.870 325 R HN 0.318 nan 8.270 nan 0.000 0.445 326 G N 0.882 109.682 108.800 0.000 0.000 2.402 326 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 326 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 326 G C 1.614 176.513 174.900 -0.002 0.000 1.162 326 G CA 0.878 45.978 45.100 0.000 0.000 0.777 326 G HN 0.404 nan 8.290 nan 0.000 0.539 327 A N 0.306 123.124 122.820 -0.004 0.000 1.902 327 A HA -0.103 4.217 4.320 0.001 0.000 0.217 327 A C 2.289 179.873 177.584 -0.001 0.000 1.181 327 A CA 2.057 54.091 52.037 -0.005 0.000 0.623 327 A CB -0.553 18.443 19.000 -0.008 0.000 0.818 327 A HN 0.469 nan 8.150 nan 0.000 0.443 328 Q N -0.953 118.847 119.800 0.001 0.000 2.050 328 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 328 Q C 2.004 178.008 176.000 0.007 0.000 0.980 328 Q CA 1.790 57.595 55.803 0.005 0.000 0.840 328 Q CB -0.249 28.493 28.738 0.006 0.000 0.898 328 Q HN 0.491 nan 8.270 nan 0.000 0.424 329 L N 0.759 121.985 121.223 0.006 0.000 2.046 329 L HA -0.136 4.204 4.340 0.001 0.000 0.208 329 L C 2.209 179.084 176.870 0.008 0.000 1.077 329 L CA 1.409 56.254 54.840 0.007 0.000 0.747 329 L CB -0.892 41.170 42.059 0.005 0.000 0.896 329 L HN 0.417 nan 8.230 nan 0.000 0.432 330 L N -0.028 121.198 121.223 0.004 0.000 2.046 330 L HA -0.095 4.246 4.340 0.001 0.000 0.208 330 L C 2.484 179.358 176.870 0.006 0.000 1.077 330 L CA 2.139 56.981 54.840 0.004 0.000 0.747 330 L CB -1.186 40.873 42.059 -0.001 0.000 0.896 330 L HN 0.264 nan 8.230 nan 0.000 0.432 331 A N -0.544 122.280 122.820 0.006 0.000 1.933 331 A HA -0.067 4.254 4.320 0.001 0.000 0.218 331 A C 2.335 179.927 177.584 0.014 0.000 1.175 331 A CA 1.532 53.573 52.037 0.008 0.000 0.628 331 A CB -1.550 17.453 19.000 0.006 0.000 0.814 331 A HN 0.544 nan 8.150 nan 0.000 0.444 332 G N -0.231 108.578 108.800 0.016 0.000 2.402 332 G HA2 -0.122 3.839 3.960 0.001 0.000 0.216 332 G HA3 -0.122 3.839 3.960 0.001 0.000 0.216 332 G C 1.531 176.450 174.900 0.032 0.000 1.162 332 G CA 0.976 46.091 45.100 0.024 0.000 0.777 332 G HN 0.439 nan 8.290 nan 0.000 0.539 333 L N -0.161 121.077 121.223 0.025 0.000 2.093 333 L HA -0.090 4.250 4.340 0.001 0.000 0.208 333 L C 3.107 179.998 176.870 0.034 0.000 1.085 333 L CA 1.031 55.889 54.840 0.029 0.000 0.755 333 L CB -0.435 41.633 42.059 0.015 0.000 0.904 333 L HN 0.273 nan 8.230 nan 0.000 0.435 334 Q N -0.138 119.676 119.800 0.024 0.000 2.119 334 Q HA -0.138 4.203 4.340 0.001 0.000 0.201 334 Q C 2.443 178.459 176.000 0.027 0.000 0.972 334 Q CA 1.404 57.220 55.803 0.021 0.000 0.847 334 Q CB -0.226 28.519 28.738 0.012 0.000 0.903 334 Q HN 0.549 nan 8.270 nan 0.000 0.433 335 A N 0.790 123.627 122.820 0.029 0.000 1.969 335 A HA -0.104 4.216 4.320 0.001 0.000 0.218 335 A C 1.985 179.595 177.584 0.044 0.000 1.169 335 A CA 0.867 52.921 52.037 0.028 0.000 0.635 335 A CB -0.464 18.551 19.000 0.026 0.000 0.810 335 A HN 0.282 nan 8.150 nan 0.000 0.445 336 L N -0.660 120.609 121.223 0.077 0.000 2.291 336 L HA -0.190 4.150 4.340 0.001 0.000 0.214 336 L C 2.673 179.639 176.870 0.161 0.000 1.120 336 L CA 0.832 55.762 54.840 0.151 0.000 0.799 336 L CB -0.441 41.736 42.059 0.197 0.000 0.925 336 L HN 0.501 nan 8.230 nan 0.000 0.446 337 Q N -0.166 119.693 119.800 0.098 0.000 2.181 337 Q HA -0.210 4.131 4.340 0.001 0.000 0.205 337 Q C 2.453 178.474 176.000 0.034 0.000 0.980 337 Q CA 1.488 57.340 55.803 0.082 0.000 0.862 337 Q CB -0.233 28.532 28.738 0.046 0.000 0.905 337 Q HN 0.584 nan 8.270 nan 0.000 0.429 338 A N 1.417 124.237 122.820 -0.001 0.000 1.902 338 A HA -0.226 4.095 4.320 0.001 0.000 0.217 338 A C 2.048 179.565 177.584 -0.111 0.000 1.181 338 A CA 1.651 53.663 52.037 -0.042 0.000 0.623 338 A CB -0.438 18.538 19.000 -0.039 0.000 0.818 338 A HN 0.246 nan 8.150 nan 0.000 0.443 339 R N -2.231 118.154 120.500 -0.191 0.000 2.127 339 R HA 0.049 4.389 4.340 0.001 0.000 0.217 339 R C -0.656 175.202 176.300 -0.737 0.000 1.074 339 R CA 0.679 56.486 56.100 -0.490 0.000 0.991 339 R CB 0.012 29.944 30.300 -0.614 0.000 0.895 339 R HN 0.374 nan 8.270 nan 0.000 0.450 340 F N 1.324 121.274 119.950 -0.000 0.000 2.550 340 F HA 0.386 4.914 4.527 0.001 0.000 0.348 340 F C -1.800 173.999 175.800 -0.002 0.000 1.219 340 F CA -2.690 55.310 58.000 -0.000 0.000 1.203 340 F CB 2.043 41.043 39.000 0.001 0.000 1.436 340 F HN -0.042 nan 8.300 nan 0.000 0.541 341 P HA -0.139 nan 4.420 nan 0.000 0.239 341 P C 0.712 178.055 177.300 0.072 0.000 1.184 341 P CA 0.927 64.064 63.100 0.063 0.000 0.760 341 P CB 0.337 32.052 31.700 0.025 0.000 0.884 342 Q N -0.738 119.126 119.800 0.107 0.000 2.436 342 Q HA 0.086 4.426 4.340 0.001 0.000 0.209 342 Q C 1.154 177.186 176.000 0.053 0.000 0.965 342 Q CA 0.651 56.500 55.803 0.076 0.000 0.910 342 Q CB -0.651 28.139 28.738 0.086 0.000 0.980 342 Q HN 0.356 nan 8.270 nan 0.000 0.491 343 M N 0.865 120.505 119.600 0.068 0.000 2.821 343 M HA 0.073 4.554 4.480 0.001 0.000 0.305 343 M C 0.511 176.819 176.300 0.014 0.000 1.466 343 M CA -0.028 55.292 55.300 0.033 0.000 1.526 343 M CB 0.459 33.092 32.600 0.055 0.000 1.321 343 M HN 0.201 nan 8.290 nan 0.000 0.492 344 M N 0.270 119.867 119.600 -0.005 0.000 2.149 344 M HA -0.133 4.348 4.480 0.001 0.000 0.261 344 M C 0.759 177.046 176.300 -0.021 0.000 1.064 344 M CA 1.699 56.993 55.300 -0.010 0.000 1.102 344 M CB -0.590 31.999 32.600 -0.017 0.000 1.369 344 M HN 0.638 nan 8.290 nan 0.000 0.408 345 Q N -0.722 119.052 119.800 -0.044 0.000 2.386 345 Q HA 0.494 4.834 4.340 0.001 0.000 0.274 345 Q C -2.015 173.953 176.000 -0.052 0.000 1.011 345 Q CA -0.397 55.380 55.803 -0.043 0.000 0.867 345 Q CB 2.990 31.697 28.738 -0.052 0.000 1.409 345 Q HN 0.018 nan 8.270 nan 0.000 0.395 346 V N 3.776 123.671 119.914 -0.031 0.000 2.588 346 V HA 0.792 4.913 4.120 0.001 0.000 0.304 346 V C -1.518 174.564 176.094 -0.019 0.000 1.042 346 V CA -0.245 62.039 62.300 -0.025 0.000 0.877 346 V CB 1.857 33.675 31.823 -0.008 0.000 0.996 346 V HN 0.864 nan 8.190 nan 0.000 0.425 347 R N 4.017 124.506 120.500 -0.018 0.000 2.774 347 R HA 0.870 5.210 4.340 0.001 0.000 0.272 347 R C -0.618 175.682 176.300 -0.001 0.000 1.000 347 R CA -0.627 55.469 56.100 -0.006 0.000 0.906 347 R CB 2.462 32.761 30.300 -0.002 0.000 1.227 347 R HN 1.014 nan 8.270 nan 0.000 0.468 348 G N 0.241 109.044 108.800 0.006 0.000 2.691 348 G HA2 0.429 4.389 3.960 0.001 0.000 0.298 348 G HA3 0.429 4.389 3.960 0.001 0.000 0.298 348 G C -1.391 173.514 174.900 0.009 0.000 1.471 348 G CA -0.355 44.749 45.100 0.008 0.000 0.912 348 G HN 0.317 nan 8.290 nan 0.000 0.553 349 T N 1.369 115.934 114.554 0.017 0.000 2.930 349 T HA 0.656 5.007 4.350 0.001 0.000 0.313 349 T C 0.931 175.640 174.700 0.014 0.000 1.019 349 T CA 0.833 62.942 62.100 0.015 0.000 1.004 349 T CB 0.790 69.689 68.868 0.052 0.000 0.987 349 T HN 2.233 nan 8.240 nan 0.000 0.456 350 G N 2.724 111.524 108.800 0.000 0.000 2.574 350 G HA2 -0.240 3.720 3.960 0.001 0.000 0.286 350 G HA3 -0.240 3.720 3.960 0.001 0.000 0.286 350 G C 0.202 175.106 174.900 0.008 0.000 1.212 350 G CA -0.099 45.004 45.100 0.004 0.000 0.979 350 G HN 0.707 nan 8.290 nan 0.000 0.557 351 L N 0.213 121.443 121.223 0.012 0.000 2.978 351 L HA 0.477 4.818 4.340 0.001 0.000 0.239 351 L C 0.078 176.956 176.870 0.014 0.000 1.293 351 L CA -0.288 54.558 54.840 0.011 0.000 1.085 351 L CB 0.270 42.334 42.059 0.010 0.000 1.432 351 L HN 0.396 nan 8.230 nan 0.000 0.512 352 L N 1.317 122.549 121.223 0.014 0.000 2.345 352 L HA 0.583 4.924 4.340 0.001 0.000 0.274 352 L C -0.921 175.953 176.870 0.007 0.000 0.999 352 L CA -0.319 54.527 54.840 0.010 0.000 0.849 352 L CB 1.084 43.153 42.059 0.017 0.000 1.220 352 L HN -0.051 nan 8.230 nan 0.000 0.422 353 L N 3.876 125.098 121.223 -0.001 0.000 2.309 353 L HA 1.032 5.373 4.340 0.001 0.000 0.261 353 L C 0.340 177.202 176.870 -0.012 0.000 1.021 353 L CA -0.350 54.488 54.840 -0.003 0.000 0.823 353 L CB 2.193 44.252 42.059 -0.000 0.000 1.366 353 L HN 0.627 nan 8.230 nan 0.000 0.423 354 G N -0.307 108.483 108.800 -0.016 0.000 2.667 354 G HA2 0.684 4.645 3.960 0.001 0.000 0.298 354 G HA3 0.684 4.645 3.960 0.001 0.000 0.298 354 G C -2.044 172.824 174.900 -0.053 0.000 1.377 354 G CA -0.529 44.553 45.100 -0.029 0.000 0.964 354 G HN 0.316 nan 8.290 nan 0.000 0.493 355 V N 1.249 121.119 119.914 -0.074 0.000 2.483 355 V HA 0.454 4.575 4.120 0.001 0.000 0.297 355 V C -0.268 175.718 176.094 -0.180 0.000 1.027 355 V CA -0.715 61.529 62.300 -0.093 0.000 0.855 355 V CB 1.645 33.438 31.823 -0.050 0.000 0.995 355 V HN 0.614 nan 8.190 nan 0.000 0.424 356 V N 6.694 126.462 119.914 -0.243 0.000 2.407 356 V HA 0.500 4.621 4.120 0.001 0.000 0.278 356 V C -0.054 175.955 176.094 -0.141 0.000 1.037 356 V CA -0.343 61.736 62.300 -0.367 0.000 0.900 356 V CB 1.431 32.999 31.823 -0.426 0.000 0.983 356 V HN 0.629 nan 8.190 nan 0.000 0.459 357 L N 4.132 125.313 121.223 -0.070 0.000 2.334 357 L HA 1.014 5.355 4.340 0.001 0.000 0.272 357 L C 0.592 177.472 176.870 0.017 0.000 1.020 357 L CA -0.201 54.632 54.840 -0.012 0.000 0.812 357 L CB 2.014 44.074 42.059 0.001 0.000 1.264 357 L HN 0.806 nan 8.230 nan 0.000 0.439 358 G N 0.123 108.936 108.800 0.022 0.000 2.550 358 G HA2 0.401 4.362 3.960 0.001 0.000 0.293 358 G HA3 0.401 4.362 3.960 0.001 0.000 0.293 358 G C -2.227 172.691 174.900 0.031 0.000 1.402 358 G CA -0.621 44.496 45.100 0.030 0.000 0.784 358 G HN 0.685 nan 8.290 nan 0.000 0.482 359 D N -0.520 119.898 120.400 0.030 0.000 2.264 359 D HA 0.503 5.143 4.640 0.001 0.000 0.249 359 D C 0.892 177.209 176.300 0.028 0.000 1.070 359 D CA -0.734 53.283 54.000 0.029 0.000 0.912 359 D CB 1.138 41.953 40.800 0.026 0.000 1.193 359 D HN 0.393 nan 8.370 nan 0.000 0.427 372 A N 1.135 123.975 122.820 0.033 0.000 2.024 372 A HA -0.201 4.120 4.320 0.001 0.000 0.220 372 A C 2.221 179.822 177.584 0.028 0.000 1.164 372 A CA 2.598 54.657 52.037 0.037 0.000 0.643 372 A CB -0.826 18.215 19.000 0.067 0.000 0.806 372 A HN 0.721 nan 8.150 nan 0.000 0.451 373 S N -0.364 115.350 115.700 0.024 0.000 2.414 373 S HA -0.096 4.374 4.470 0.001 0.000 0.227 373 S C 1.948 176.549 174.600 0.002 0.000 1.022 373 S CA 0.846 59.055 58.200 0.015 0.000 0.958 373 S CB -0.353 62.855 63.200 0.012 0.000 0.797 373 S HN 0.626 nan 8.310 nan 0.000 0.493 374 R N 0.885 121.385 120.500 0.001 0.000 2.075 374 R HA 0.199 4.539 4.340 0.001 0.000 0.232 374 R C 2.208 178.500 176.300 -0.014 0.000 1.126 374 R CA 1.649 57.745 56.100 -0.007 0.000 0.963 374 R CB -0.515 29.783 30.300 -0.005 0.000 0.858 374 R HN 0.438 nan 8.270 nan 0.000 0.435 375 I N -0.141 120.419 120.570 -0.018 0.000 2.500 375 I HA -0.094 4.076 4.170 0.001 0.000 0.252 375 I C 2.393 178.498 176.117 -0.021 0.000 1.142 375 I CA 1.029 62.309 61.300 -0.034 0.000 1.451 375 I CB -0.432 37.539 38.000 -0.049 0.000 1.093 375 I HN 0.311 nan 8.210 nan 0.000 0.430 376 G N 0.710 109.507 108.800 -0.005 0.000 2.402 376 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 376 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 376 G C 1.876 176.776 174.900 -0.000 0.000 1.162 376 G CA 0.776 45.879 45.100 0.004 0.000 0.777 376 G HN 0.457 nan 8.290 nan 0.000 0.539 377 A N 1.202 124.018 122.820 -0.007 0.000 1.902 377 A HA 0.297 4.618 4.320 0.001 0.000 0.217 377 A C 2.803 180.384 177.584 -0.004 0.000 1.181 377 A CA 2.187 54.217 52.037 -0.011 0.000 0.623 377 A CB -0.770 18.220 19.000 -0.018 0.000 0.818 377 A HN 0.747 nan 8.150 nan 0.000 0.443 378 A N -0.166 122.648 122.820 -0.010 0.000 1.933 378 A HA 0.179 4.500 4.320 0.001 0.000 0.218 378 A C 2.481 180.062 177.584 -0.005 0.000 1.175 378 A CA 2.005 54.035 52.037 -0.012 0.000 0.628 378 A CB -0.937 18.048 19.000 -0.025 0.000 0.814 378 A HN 1.011 nan 8.150 nan 0.000 0.444 379 A N -0.472 122.346 122.820 -0.003 0.000 1.877 379 A HA -0.030 4.290 4.320 0.001 0.000 0.216 379 A C 2.120 179.730 177.584 0.043 0.000 1.186 379 A CA 1.696 53.739 52.037 0.011 0.000 0.620 379 A CB -0.648 18.357 19.000 0.009 0.000 0.822 379 A HN 0.630 nan 8.150 nan 0.000 0.443 380 L N -0.360 120.895 121.223 0.053 0.000 2.012 380 L HA -0.150 4.191 4.340 0.001 0.000 0.210 380 L C 2.232 179.172 176.870 0.116 0.000 1.073 380 L CA 2.534 57.440 54.840 0.110 0.000 0.748 380 L CB -0.570 41.530 42.059 0.068 0.000 0.891 380 L HN 0.284 nan 8.230 nan 0.000 0.431 381 K N -0.249 120.182 120.400 0.052 0.000 2.113 381 K HA -0.159 4.162 4.320 0.001 0.000 0.208 381 K C 2.152 178.750 176.600 -0.002 0.000 1.047 381 K CA 1.626 57.926 56.287 0.022 0.000 0.928 381 K CB -0.151 32.352 32.500 0.004 0.000 0.716 381 K HN 0.291 nan 8.250 nan 0.000 0.446 382 R N -1.686 118.816 120.500 0.003 0.000 2.299 382 R HA 0.117 4.458 4.340 0.001 0.000 0.197 382 R C 0.452 176.736 176.300 -0.026 0.000 0.971 382 R CA 0.648 56.740 56.100 -0.014 0.000 1.030 382 R CB 0.438 30.737 30.300 -0.003 0.000 0.932 382 R HN 0.388 nan 8.270 nan 0.000 0.477 383 G N 1.128 109.927 108.800 -0.002 0.000 2.167 383 G HA2 -0.204 3.756 3.960 0.001 0.000 0.194 383 G HA3 -0.204 3.756 3.960 0.001 0.000 0.194 383 G C -0.691 174.287 174.900 0.130 0.000 1.027 383 G CA -0.418 44.670 45.100 -0.019 0.000 0.717 383 G HN 0.161 nan 8.290 nan 0.000 0.501 384 L N 1.407 122.716 121.223 0.143 0.000 2.349 384 L HA 0.763 5.104 4.340 0.001 0.000 0.278 384 L C -0.153 176.779 176.870 0.103 0.000 0.996 384 L CA -1.405 53.502 54.840 0.111 0.000 0.825 384 L CB 1.046 43.140 42.059 0.058 0.000 1.243 384 L HN 0.069 nan 8.230 nan 0.000 0.412 385 I N 4.233 124.851 120.570 0.079 0.000 2.395 385 I HA 0.415 4.585 4.170 0.001 0.000 0.289 385 I C 0.646 176.780 176.117 0.029 0.000 1.023 385 I CA -0.006 61.309 61.300 0.025 0.000 1.350 385 I CB 1.078 39.069 38.000 -0.014 0.000 1.409 385 I HN 0.776 nan 8.210 nan 0.000 0.507 386 T N 3.052 117.623 114.554 0.028 0.000 2.910 386 T HA 0.465 4.815 4.350 0.001 0.000 0.287 386 T C -0.064 174.686 174.700 0.084 0.000 1.050 386 T CA -0.639 61.499 62.100 0.064 0.000 1.011 386 T CB 1.518 70.422 68.868 0.061 0.000 1.195 386 T HN 0.324 nan 8.240 nan 0.000 0.540 400 H N 0.167 119.243 119.070 0.010 0.000 2.524 400 H HA 0.760 5.317 4.556 0.001 0.000 0.353 400 H C -1.276 174.056 175.328 0.008 0.000 1.136 400 H CA -0.919 55.131 56.048 0.004 0.000 1.193 400 H CB 1.923 31.683 29.762 -0.004 0.000 1.558 400 H HN 0.063 nan 8.280 nan 0.000 0.515 401 L N 3.203 124.477 121.223 0.085 0.000 2.349 401 L HA 0.407 4.748 4.340 0.001 0.000 0.278 401 L C -1.652 175.238 176.870 0.034 0.000 0.996 401 L CA -0.757 54.117 54.840 0.057 0.000 0.825 401 L CB 1.097 43.169 42.059 0.021 0.000 1.243 401 L HN 0.480 nan 8.230 nan 0.000 0.412 402 L N 6.011 127.255 121.223 0.036 0.000 2.272 402 L HA 0.622 4.963 4.340 0.001 0.000 0.289 402 L C -1.185 175.702 176.870 0.029 0.000 1.032 402 L CA 0.031 54.853 54.840 -0.031 0.000 0.810 402 L CB 1.078 42.995 42.059 -0.238 0.000 1.205 402 L HN 0.599 nan 8.230 nan 0.000 0.422 403 L N 4.392 125.624 121.223 0.014 0.000 2.333 403 L HA 0.904 5.244 4.340 0.001 0.000 0.269 403 L C 0.100 176.987 176.870 0.028 0.000 1.010 403 L CA -0.655 54.205 54.840 0.034 0.000 0.818 403 L CB 2.168 44.239 42.059 0.020 0.000 1.306 403 L HN 0.733 nan 8.230 nan 0.000 0.430 404 G N 2.019 110.843 108.800 0.040 0.000 3.391 404 G HA2 0.210 4.170 3.960 0.001 0.000 0.257 404 G HA3 0.210 4.170 3.960 0.001 0.000 0.257 404 G C -3.166 171.751 174.900 0.028 0.000 3.853 404 G CA -0.346 44.773 45.100 0.032 0.000 0.453 404 G HN 0.225 nan 8.290 nan 0.000 0.287 405 P HA 0.377 nan 4.420 nan 0.000 0.275 405 P C -2.789 174.497 177.300 -0.023 0.000 1.266 405 P CA -1.566 61.525 63.100 -0.015 0.000 0.793 405 P CB 0.654 32.333 31.700 -0.035 0.000 1.074 406 P HA 0.036 nan 4.420 nan 0.000 0.266 406 P C 0.953 178.233 177.300 -0.034 0.000 1.195 406 P CA 0.131 63.198 63.100 -0.055 0.000 0.768 406 P CB 0.061 31.705 31.700 -0.094 0.000 0.838 407 L N 2.441 123.652 121.223 -0.020 0.000 2.353 407 L HA -0.146 4.194 4.340 0.001 0.000 0.220 407 L C 1.802 178.665 176.870 -0.010 0.000 1.133 407 L CA 1.823 56.658 54.840 -0.007 0.000 0.798 407 L CB -1.556 40.505 42.059 0.004 0.000 0.922 407 L HN 0.367 nan 8.230 nan 0.000 0.445 408 S N -1.886 113.802 115.700 -0.019 0.000 2.575 408 S HA 0.135 4.605 4.470 0.001 0.000 0.215 408 S C 0.905 175.497 174.600 -0.014 0.000 0.966 408 S CA -0.477 57.715 58.200 -0.013 0.000 0.911 408 S CB -0.572 62.620 63.200 -0.013 0.000 0.780 408 S HN 0.299 nan 8.310 nan 0.000 0.514 409 I N 3.824 124.378 120.570 -0.027 0.000 2.752 409 I HA 0.057 4.228 4.170 0.001 0.000 0.287 409 I C 0.768 176.879 176.117 -0.011 0.000 1.188 409 I CA 0.100 61.379 61.300 -0.035 0.000 1.427 409 I CB 0.928 38.898 38.000 -0.051 0.000 1.365 409 I HN 0.364 nan 8.210 nan 0.000 0.585 410 T N 3.784 118.339 114.554 0.001 0.000 2.847 410 T HA 0.472 4.823 4.350 0.001 0.000 0.279 410 T C 1.062 175.772 174.700 0.017 0.000 0.984 410 T CA -0.201 61.910 62.100 0.018 0.000 0.988 410 T CB 1.626 70.516 68.868 0.037 0.000 1.040 410 T HN 0.720 nan 8.240 nan 0.000 0.528 411 A N 1.070 123.901 122.820 0.020 0.000 1.908 411 A HA 0.155 4.476 4.320 0.001 0.000 0.218 411 A C 2.635 180.235 177.584 0.026 0.000 1.181 411 A CA 1.904 53.952 52.037 0.019 0.000 0.627 411 A CB -1.573 17.438 19.000 0.018 0.000 0.818 411 A HN 1.260 nan 8.150 nan 0.000 0.445 412 A N -0.151 122.690 122.820 0.036 0.000 1.933 412 A HA -0.171 4.149 4.320 0.001 0.000 0.218 412 A C 1.890 179.509 177.584 0.058 0.000 1.175 412 A CA 1.632 53.697 52.037 0.047 0.000 0.628 412 A CB -0.519 18.515 19.000 0.056 0.000 0.814 412 A HN 0.655 nan 8.150 nan 0.000 0.444 413 E N -0.407 119.827 120.200 0.057 0.000 2.150 413 E HA -0.080 4.270 4.350 0.001 0.000 0.193 413 E C 1.868 178.479 176.600 0.018 0.000 0.985 413 E CA 0.985 57.416 56.400 0.050 0.000 0.814 413 E CB -0.205 29.499 29.700 0.006 0.000 0.752 413 E HN 0.404 nan 8.360 nan 0.000 0.466 414 V N 1.993 121.914 119.914 0.012 0.000 2.358 414 V HA -0.227 3.894 4.120 0.001 0.000 0.246 414 V C 1.695 177.801 176.094 0.020 0.000 1.047 414 V CA 1.814 64.118 62.300 0.008 0.000 1.035 414 V CB -0.327 31.500 31.823 0.007 0.000 0.658 414 V HN 0.212 nan 8.190 nan 0.000 0.452 415 D N 0.541 120.958 120.400 0.028 0.000 2.144 415 D HA -0.100 4.541 4.640 0.001 0.000 0.200 415 D C 2.188 178.513 176.300 0.040 0.000 0.978 415 D CA 1.568 55.587 54.000 0.033 0.000 0.833 415 D CB -0.401 40.419 40.800 0.033 0.000 0.961 415 D HN 0.486 nan 8.370 nan 0.000 0.470 416 G N 1.253 110.084 108.800 0.052 0.000 2.402 416 G HA2 -0.203 3.758 3.960 0.001 0.000 0.216 416 G HA3 -0.203 3.758 3.960 0.001 0.000 0.216 416 G C 1.702 176.636 174.900 0.056 0.000 1.162 416 G CA 0.306 45.446 45.100 0.067 0.000 0.777 416 G HN 0.285 nan 8.290 nan 0.000 0.539 417 L N -0.013 121.233 121.223 0.039 0.000 2.017 417 L HA 0.009 4.349 4.340 0.001 0.000 0.208 417 L C 2.799 179.684 176.870 0.025 0.000 1.073 417 L CA 1.097 55.952 54.840 0.025 0.000 0.745 417 L CB -0.180 41.881 42.059 0.003 0.000 0.894 417 L HN 0.203 nan 8.230 nan 0.000 0.432 418 L N -0.204 121.035 121.223 0.027 0.000 2.083 418 L HA -0.203 4.138 4.340 0.001 0.000 0.209 418 L C 2.843 179.735 176.870 0.036 0.000 1.083 418 L CA 1.167 56.025 54.840 0.030 0.000 0.752 418 L CB -0.819 41.260 42.059 0.033 0.000 0.899 418 L HN 0.373 nan 8.230 nan 0.000 0.433 419 A N 0.078 122.922 122.820 0.040 0.000 1.902 419 A HA -0.143 4.177 4.320 0.001 0.000 0.217 419 A C 2.244 179.849 177.584 0.035 0.000 1.181 419 A CA 1.348 53.411 52.037 0.043 0.000 0.623 419 A CB -0.638 18.387 19.000 0.042 0.000 0.818 419 A HN 0.357 nan 8.150 nan 0.000 0.443 420 L N -1.192 120.050 121.223 0.031 0.000 2.056 420 L HA -0.149 4.191 4.340 0.001 0.000 0.207 420 L C 2.545 179.418 176.870 0.004 0.000 1.078 420 L CA 1.057 55.911 54.840 0.022 0.000 0.749 420 L CB -0.540 41.539 42.059 0.033 0.000 0.901 420 L HN 0.433 nan 8.230 nan 0.000 0.433 421 L N 0.279 121.501 121.223 -0.001 0.000 2.046 421 L HA -0.126 4.215 4.340 0.001 0.000 0.208 421 L C 2.654 179.479 176.870 -0.074 0.000 1.077 421 L CA 1.911 56.731 54.840 -0.033 0.000 0.747 421 L CB -0.651 41.394 42.059 -0.023 0.000 0.896 421 L HN 0.145 nan 8.230 nan 0.000 0.432 422 A N -0.628 122.180 122.820 -0.020 0.000 1.933 422 A HA -0.097 4.223 4.320 0.001 0.000 0.218 422 A C 2.328 179.906 177.584 -0.011 0.000 1.175 422 A CA 1.573 53.620 52.037 0.017 0.000 0.628 422 A CB -1.530 17.552 19.000 0.137 0.000 0.814 422 A HN 0.527 nan 8.150 nan 0.000 0.444 423 G N -0.621 108.181 108.800 0.003 0.000 2.402 423 G HA2 0.034 3.994 3.960 0.001 0.000 0.216 423 G HA3 0.034 3.994 3.960 0.001 0.000 0.216 423 G C 1.739 176.616 174.900 -0.039 0.000 1.162 423 G CA 1.359 46.462 45.100 0.006 0.000 0.777 423 G HN 0.778 nan 8.290 nan 0.000 0.539 424 A N 0.620 123.398 122.820 -0.071 0.000 1.902 424 A HA 0.102 4.422 4.320 0.001 0.000 0.217 424 A C 2.431 179.917 177.584 -0.162 0.000 1.181 424 A CA 1.235 53.219 52.037 -0.087 0.000 0.623 424 A CB -0.425 18.531 19.000 -0.073 0.000 0.818 424 A HN 0.346 nan 8.150 nan 0.000 0.443 425 L N -0.814 120.219 121.223 -0.317 0.000 2.083 425 L HA -0.198 4.143 4.340 0.001 0.000 0.209 425 L C 2.656 179.248 176.870 -0.464 0.000 1.083 425 L CA 1.713 56.190 54.840 -0.604 0.000 0.752 425 L CB -0.432 40.842 42.059 -1.308 0.000 0.899 425 L HN 0.514 nan 8.230 nan 0.000 0.433 426 E N 0.552 120.623 120.200 -0.214 0.000 2.072 426 E HA -0.221 4.130 4.350 0.001 0.000 0.191 426 E C 1.707 178.341 176.600 0.057 0.000 0.985 426 E CA 1.593 58.066 56.400 0.121 0.000 0.801 426 E CB -0.083 29.729 29.700 0.186 0.000 0.750 426 E HN 0.369 nan 8.360 nan 0.000 0.452 427 D N -0.278 120.122 120.400 -0.000 0.000 2.097 427 D HA -0.132 4.508 4.640 0.001 0.000 0.195 427 D C 2.026 178.326 176.300 -0.000 0.000 0.989 427 D CA 1.631 55.632 54.000 0.002 0.000 0.827 427 D CB -0.187 40.606 40.800 -0.012 0.000 0.966 427 D HN 0.185 nan 8.370 nan 0.000 0.456 428 V N 0.839 120.737 119.914 -0.026 0.000 2.379 428 V HA -0.044 4.076 4.120 0.001 0.000 0.243 428 V C 1.625 177.723 176.094 0.007 0.000 1.035 428 V CA 0.769 63.058 62.300 -0.018 0.000 1.035 428 V CB -0.175 31.623 31.823 -0.041 0.000 0.673 428 V HN 0.042 nan 8.190 nan 0.000 0.457 429 L N 0.000 121.232 121.223 0.014 0.000 2.949 429 L HA 0.000 4.340 4.340 0.001 0.000 0.249 429 L CA 0.000 54.893 54.840 0.088 0.000 0.813 429 L CB 0.000 42.145 42.059 0.144 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502