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 1hv9_1_B DATA FIRST_RESID 3 DATA SEQUENCE NNAMSVVILA AGKGTRMYSD LPKVLHTLAG KAMVQHVIDA ANELGAAHVH DATA SEQUENCE LVYGHGGDLL KQALKDDNLN WVLQAEQLGT GHAMQQAAPF FADDEDILML DATA SEQUENCE YGDVPLISVE TLQRLRDAKP QGGIGLLTVK LDDPTGYGRI TRENGKVTGI DATA SEQUENCE VEHKDATDEQ RQIQEINTGI LIANGADMKR WLAKLTNNNA QGEYYITDII DATA SEQUENCE ALAYQEGREI VAVHPQRLSE VEGVNNRLQL SRLERVYQSE QAEKLLLAGV DATA SEQUENCE MLRDPARFDL RGTLTHGRDV EIDTNVIIEG NVTLGHRVKI GTGCVIKNSV DATA SEQUENCE IGDDCEISPY TVVEDANLAA ACTIGPFARL RPGAELLEGA HVGNFVEMKK DATA SEQUENCE ARLGKGSKAG HLTYLGDAEI GDNVNIGAGT ITCNYDGANK FKTIIGDDVF DATA SEQUENCE VGSDTQLVAP VTVGKGATIA AGTTVTRNVG ENALAISRVP QTQKEGWRRP 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 0.000 175.507 175.510 -0.005 0.000 1.280 3 N CA 0.000 53.048 53.050 -0.004 0.000 0.885 3 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 4 N N -0.181 118.515 118.700 -0.006 0.000 3.038 4 N HA 0.790 5.530 4.740 0.000 0.000 0.307 4 N C -0.757 174.744 175.510 -0.014 0.000 1.441 4 N CA -0.800 52.245 53.050 -0.008 0.000 0.772 4 N CB 1.859 40.343 38.487 -0.004 0.000 1.651 4 N HN 0.416 nan 8.380 nan 0.000 0.593 5 A N -0.257 122.554 122.820 -0.014 0.000 2.257 5 A HA 0.767 5.087 4.320 0.000 0.000 0.290 5 A C -0.158 177.411 177.584 -0.025 0.000 1.201 5 A CA -0.538 51.484 52.037 -0.025 0.000 0.863 5 A CB 0.119 19.100 19.000 -0.031 0.000 1.256 5 A HN 0.859 nan 8.150 nan 0.000 0.506 6 M N -1.693 117.885 119.600 -0.037 0.000 2.520 6 M HA 0.699 5.179 4.480 0.000 0.000 0.280 6 M C -1.039 175.234 176.300 -0.044 0.000 1.232 6 M CA -0.249 55.028 55.300 -0.039 0.000 0.892 6 M CB 1.979 34.553 32.600 -0.043 0.000 1.728 6 M HN 0.378 nan 8.290 nan 0.000 0.475 7 S N 1.070 116.749 115.700 -0.035 0.000 2.542 7 S HA 0.863 5.333 4.470 0.000 0.000 0.293 7 S C -1.258 173.312 174.600 -0.051 0.000 1.089 7 S CA -0.678 57.510 58.200 -0.019 0.000 0.961 7 S CB 2.338 65.607 63.200 0.116 0.000 1.062 7 S HN 0.577 nan 8.310 nan 0.000 0.483 8 V N 2.737 122.614 119.914 -0.063 0.000 2.555 8 V HA 0.656 4.776 4.120 0.000 0.000 0.302 8 V C -0.442 175.663 176.094 0.018 0.000 1.038 8 V CA -0.639 61.638 62.300 -0.038 0.000 0.887 8 V CB 1.735 33.527 31.823 -0.052 0.000 0.991 8 V HN 0.624 nan 8.190 nan 0.000 0.434 9 V N 6.928 126.887 119.914 0.075 0.000 2.487 9 V HA 0.645 4.765 4.120 0.000 0.000 0.298 9 V C -0.727 175.434 176.094 0.113 0.000 1.028 9 V CA -0.335 62.062 62.300 0.161 0.000 0.860 9 V CB 1.585 33.574 31.823 0.277 0.000 0.991 9 V HN 0.751 nan 8.190 nan 0.000 0.427 10 I N 7.401 128.020 120.570 0.082 0.000 2.355 10 I HA 0.397 4.567 4.170 0.000 0.000 0.288 10 I C -0.294 175.877 176.117 0.091 0.000 0.999 10 I CA -0.495 60.852 61.300 0.079 0.000 1.163 10 I CB 1.651 39.660 38.000 0.015 0.000 1.316 10 I HN 0.435 nan 8.210 nan 0.000 0.454 11 L N 6.433 127.739 121.223 0.137 0.000 2.281 11 L HA 0.508 4.848 4.340 0.000 0.000 0.285 11 L C 0.750 177.646 176.870 0.044 0.000 1.074 11 L CA -0.045 54.847 54.840 0.087 0.000 0.817 11 L CB 1.116 43.210 42.059 0.059 0.000 1.168 11 L HN 0.791 nan 8.230 nan 0.000 0.434 12 A N 2.395 125.249 122.820 0.057 0.000 2.538 12 A HA 0.496 4.816 4.320 0.000 0.000 0.276 12 A C 1.034 178.680 177.584 0.103 0.000 0.908 12 A CA 0.363 52.438 52.037 0.065 0.000 1.042 12 A CB 0.378 19.423 19.000 0.076 0.000 1.218 12 A HN 0.721 nan 8.150 nan 0.000 0.517 13 A N -0.153 122.718 122.820 0.085 0.000 2.275 13 A HA 0.533 4.853 4.320 0.000 0.000 0.212 13 A C 1.279 178.903 177.584 0.067 0.000 1.201 13 A CA 0.688 52.783 52.037 0.097 0.000 0.843 13 A CB -0.349 18.689 19.000 0.064 0.000 0.873 13 A HN 0.873 nan 8.150 nan 0.000 0.492 14 G N -0.711 108.094 108.800 0.007 0.000 2.572 14 G HA2 0.477 4.437 3.960 0.000 0.000 0.261 14 G HA3 0.477 4.437 3.960 0.000 0.000 0.261 14 G C -0.141 174.690 174.900 -0.115 0.000 1.197 14 G CA 0.235 45.305 45.100 -0.050 0.000 0.870 14 G HN 0.672 nan 8.290 nan 0.000 0.548 15 K N 0.265 120.521 120.400 -0.241 0.000 2.316 15 K HA 0.657 4.977 4.320 0.000 0.000 0.267 15 K C 0.475 176.885 176.600 -0.317 0.000 1.025 15 K CA -0.226 55.758 56.287 -0.506 0.000 0.896 15 K CB 1.285 33.309 32.500 -0.792 0.000 1.124 15 K HN 1.194 nan 8.250 nan 0.000 0.451 16 G N 1.933 110.570 108.800 -0.272 0.000 2.852 16 G HA2 0.197 4.157 3.960 0.000 0.000 0.280 16 G HA3 0.197 4.157 3.960 0.000 0.000 0.280 16 G C 1.034 175.761 174.900 -0.288 0.000 0.731 16 G CA 0.366 45.315 45.100 -0.253 0.000 2.037 16 G HN 0.706 nan 8.290 nan 0.000 0.560 17 T N 1.613 116.003 114.554 -0.273 0.000 2.685 17 T HA -0.200 4.150 4.350 0.000 0.000 0.268 17 T C 2.493 176.878 174.700 -0.525 0.000 1.034 17 T CA 1.218 63.145 62.100 -0.287 0.000 1.149 17 T CB -0.079 68.675 68.868 -0.191 0.000 0.860 17 T HN 0.508 nan 8.240 nan 0.000 0.449 18 R N 0.325 120.528 120.500 -0.496 0.000 2.357 18 R HA 0.156 4.496 4.340 0.000 0.000 0.202 18 R C 1.878 177.773 176.300 -0.675 0.000 1.047 18 R CA 0.489 56.190 56.100 -0.664 0.000 1.034 18 R CB -0.057 30.034 30.300 -0.348 0.000 0.875 18 R HN 0.360 nan 8.270 nan 0.000 0.473 19 M N -1.247 118.038 119.600 -0.525 0.000 2.509 19 M HA 0.043 4.523 4.480 0.000 0.000 0.250 19 M C -0.158 176.043 176.300 -0.166 0.000 1.132 19 M CA 0.423 55.527 55.300 -0.327 0.000 1.080 19 M CB 0.030 32.414 32.600 -0.361 0.000 1.408 19 M HN 0.127 nan 8.290 nan 0.000 0.484 20 Y N 0.506 120.785 120.300 -0.035 0.000 3.108 20 Y HA -0.244 4.306 4.550 0.000 0.000 0.208 20 Y C 0.613 176.536 175.900 0.039 0.000 1.245 20 Y CA 0.287 58.388 58.100 0.001 0.000 1.171 20 Y CB -1.875 36.587 38.460 0.003 0.000 1.331 20 Y HN 0.274 nan 8.280 nan 0.000 0.534 21 S N -0.805 114.976 115.700 0.134 0.000 2.600 21 S HA 0.483 4.953 4.470 0.000 0.000 0.300 21 S C 0.460 175.161 174.600 0.167 0.000 1.087 21 S CA -0.771 57.540 58.200 0.185 0.000 0.965 21 S CB 1.632 65.023 63.200 0.318 0.000 1.089 21 S HN 0.188 nan 8.310 nan 0.000 0.496 22 D N 1.225 121.719 120.400 0.157 0.000 2.339 22 D HA 0.219 4.859 4.640 0.000 0.000 0.217 22 D C -0.277 176.120 176.300 0.160 0.000 1.050 22 D CA 0.222 54.308 54.000 0.143 0.000 0.856 22 D CB 0.066 40.924 40.800 0.096 0.000 0.922 22 D HN 0.267 nan 8.370 nan 0.000 0.518 23 L N 1.388 122.726 121.223 0.192 0.000 2.295 23 L HA 0.408 4.748 4.340 0.000 0.000 0.285 23 L C -2.415 174.639 176.870 0.306 0.000 1.035 23 L CA -2.326 52.632 54.840 0.196 0.000 0.806 23 L CB 1.270 43.363 42.059 0.057 0.000 1.214 23 L HN -0.294 nan 8.230 nan 0.000 0.426 24 P HA 0.020 nan 4.420 nan 0.000 0.265 24 P C 0.349 177.784 177.300 0.225 0.000 1.193 24 P CA -0.003 63.244 63.100 0.245 0.000 0.765 24 P CB 0.499 32.351 31.700 0.253 0.000 0.823 25 K N 2.823 123.254 120.400 0.051 0.000 2.032 25 K HA -0.208 4.112 4.320 0.000 0.000 0.218 25 K C 1.538 178.170 176.600 0.054 0.000 1.054 25 K CA 2.657 58.893 56.287 -0.085 0.000 0.941 25 K CB -0.733 31.678 32.500 -0.149 0.000 0.720 25 K HN 0.387 nan 8.250 nan 0.000 0.449 26 V N -0.696 119.263 119.914 0.076 0.000 2.867 26 V HA -0.155 3.965 4.120 0.000 0.000 0.260 26 V C 2.000 178.175 176.094 0.135 0.000 1.099 26 V CA 1.405 63.760 62.300 0.092 0.000 1.122 26 V CB -0.533 31.337 31.823 0.077 0.000 0.708 26 V HN 0.239 nan 8.190 nan 0.000 0.490 27 L N -0.779 120.555 121.223 0.185 0.000 2.492 27 L HA 0.192 4.532 4.340 0.000 0.000 0.223 27 L C 1.032 177.981 176.870 0.131 0.000 1.132 27 L CA 0.065 54.992 54.840 0.144 0.000 0.850 27 L CB -0.468 41.664 42.059 0.121 0.000 0.966 27 L HN 0.415 nan 8.230 nan 0.000 0.454 28 H N 0.186 119.277 119.070 0.036 0.000 2.871 28 H HA 0.070 4.626 4.556 0.000 0.000 0.355 28 H C 0.634 175.983 175.328 0.035 0.000 1.092 28 H CA 0.023 56.089 56.048 0.029 0.000 1.420 28 H CB 0.517 30.291 29.762 0.019 0.000 1.400 28 H HN 0.026 nan 8.280 nan 0.000 0.604 29 T N 0.598 115.209 114.554 0.094 0.000 2.922 29 T HA 0.506 4.856 4.350 0.000 0.000 0.285 29 T C -0.105 174.647 174.700 0.087 0.000 1.005 29 T CA -1.087 61.061 62.100 0.080 0.000 1.061 29 T CB 0.917 69.806 68.868 0.035 0.000 1.007 29 T HN 0.416 nan 8.240 nan 0.000 0.502 30 L N 2.291 123.581 121.223 0.112 0.000 2.372 30 L HA 0.557 4.897 4.340 0.000 0.000 0.274 30 L C 0.515 177.444 176.870 0.098 0.000 0.988 30 L CA -0.621 54.247 54.840 0.047 0.000 0.833 30 L CB 1.117 43.106 42.059 -0.118 0.000 1.236 30 L HN 1.214 nan 8.230 nan 0.000 0.410 31 A N 3.417 126.278 122.820 0.068 0.000 2.783 31 A HA -0.080 4.240 4.320 0.000 0.000 0.292 31 A C 1.299 178.942 177.584 0.097 0.000 1.495 31 A CA 1.281 53.395 52.037 0.128 0.000 0.787 31 A CB -2.150 16.994 19.000 0.240 0.000 1.017 31 A HN 2.160 nan 8.150 nan 0.000 0.516 32 G N -1.942 106.893 108.800 0.059 0.000 2.179 32 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 32 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 32 G C 0.013 174.911 174.900 -0.003 0.000 0.977 32 G CA 1.407 46.523 45.100 0.025 0.000 0.641 32 G HN 1.682 nan 8.290 nan 0.000 0.533 33 K N 0.334 120.732 120.400 -0.005 0.000 2.378 33 K HA 0.736 5.056 4.320 0.000 0.000 0.252 33 K C 0.487 177.070 176.600 -0.028 0.000 0.931 33 K CA -0.245 55.974 56.287 -0.113 0.000 0.794 33 K CB 1.515 33.771 32.500 -0.408 0.000 1.181 33 K HN 0.710 nan 8.250 nan 0.000 0.425 34 A N 4.673 127.479 122.820 -0.024 0.000 2.540 34 A HA 0.037 4.357 4.320 0.000 0.000 0.239 34 A C 1.354 179.009 177.584 0.119 0.000 1.061 34 A CA 0.123 52.190 52.037 0.050 0.000 0.758 34 A CB 0.050 19.070 19.000 0.034 0.000 0.991 34 A HN 1.039 nan 8.150 nan 0.000 0.502 35 M N 2.599 122.301 119.600 0.171 0.000 2.108 35 M HA -0.190 4.290 4.480 0.000 0.000 0.257 35 M C 2.016 178.403 176.300 0.146 0.000 1.071 35 M CA 2.175 57.587 55.300 0.187 0.000 1.093 35 M CB -0.546 32.111 32.600 0.094 0.000 1.345 35 M HN 0.697 nan 8.290 nan 0.000 0.403 36 V N -0.041 119.928 119.914 0.093 0.000 2.490 36 V HA -0.281 3.839 4.120 0.000 0.000 0.250 36 V C 2.246 178.361 176.094 0.035 0.000 1.061 36 V CA 2.255 64.590 62.300 0.060 0.000 1.064 36 V CB -0.358 31.493 31.823 0.047 0.000 0.670 36 V HN 0.527 nan 8.190 nan 0.000 0.461 37 Q N -0.344 119.465 119.800 0.013 0.000 2.119 37 Q HA -0.199 4.141 4.340 0.000 0.000 0.201 37 Q C 1.891 177.864 176.000 -0.046 0.000 0.972 37 Q CA 2.276 58.054 55.803 -0.041 0.000 0.847 37 Q CB -0.493 28.190 28.738 -0.092 0.000 0.903 37 Q HN 0.854 nan 8.270 nan 0.000 0.433 38 H N -1.450 117.606 119.070 -0.023 0.000 2.319 38 H HA -0.115 4.441 4.556 0.000 0.000 0.299 38 H C 1.823 177.138 175.328 -0.021 0.000 1.092 38 H CA 2.013 58.041 56.048 -0.033 0.000 1.302 38 H CB 0.147 29.873 29.762 -0.060 0.000 1.373 38 H HN 0.118 nan 8.280 nan 0.000 0.497 39 V N 0.521 120.507 119.914 0.122 0.000 2.358 39 V HA -0.228 3.892 4.120 0.000 0.000 0.246 39 V C 2.348 178.457 176.094 0.024 0.000 1.047 39 V CA 1.734 64.070 62.300 0.061 0.000 1.035 39 V CB -0.523 31.332 31.823 0.053 0.000 0.658 39 V HN 0.392 nan 8.190 nan 0.000 0.452 40 I N 0.528 121.101 120.570 0.004 0.000 2.163 40 I HA -0.277 3.893 4.170 0.000 0.000 0.243 40 I C 2.334 178.440 176.117 -0.019 0.000 1.085 40 I CA 1.839 63.123 61.300 -0.026 0.000 1.347 40 I CB -0.584 37.389 38.000 -0.045 0.000 1.044 40 I HN 0.313 nan 8.210 nan 0.000 0.408 41 D N 0.903 121.296 120.400 -0.011 0.000 2.221 41 D HA -0.168 4.472 4.640 0.000 0.000 0.204 41 D C 2.109 178.411 176.300 0.004 0.000 0.982 41 D CA 1.484 55.479 54.000 -0.007 0.000 0.857 41 D CB -0.106 40.689 40.800 -0.007 0.000 0.934 41 D HN 0.429 nan 8.370 nan 0.000 0.475 42 A N 0.773 123.601 122.820 0.014 0.000 1.874 42 A HA 0.164 4.484 4.320 0.000 0.000 0.214 42 A C 2.288 179.870 177.584 -0.004 0.000 1.189 42 A CA 1.501 53.546 52.037 0.013 0.000 0.615 42 A CB -0.550 18.464 19.000 0.023 0.000 0.830 42 A HN 0.205 nan 8.150 nan 0.000 0.443 43 A N 0.008 122.820 122.820 -0.013 0.000 2.015 43 A HA -0.138 4.182 4.320 0.000 0.000 0.219 43 A C 1.742 179.304 177.584 -0.035 0.000 1.163 43 A CA 1.679 53.699 52.037 -0.027 0.000 0.646 43 A CB -0.523 18.456 19.000 -0.036 0.000 0.806 43 A HN 0.468 nan 8.150 nan 0.000 0.448 44 N N -0.540 118.142 118.700 -0.031 0.000 2.515 44 N HA -0.004 4.736 4.740 0.000 0.000 0.185 44 N C 0.776 176.271 175.510 -0.026 0.000 1.109 44 N CA 0.633 53.663 53.050 -0.034 0.000 0.903 44 N CB 0.111 38.580 38.487 -0.031 0.000 0.969 44 N HN 0.433 nan 8.380 nan 0.000 0.450 45 E N -0.534 119.655 120.200 -0.019 0.000 2.501 45 E HA 0.274 4.624 4.350 0.000 0.000 0.200 45 E C 1.087 177.677 176.600 -0.017 0.000 1.016 45 E CA -0.028 56.364 56.400 -0.013 0.000 0.921 45 E CB 0.267 29.965 29.700 -0.003 0.000 1.034 45 E HN 0.236 nan 8.360 nan 0.000 0.468 46 L N -1.432 119.776 121.223 -0.025 0.000 2.609 46 L HA 0.291 4.631 4.340 0.000 0.000 0.230 46 L C 0.833 177.681 176.870 -0.036 0.000 1.087 46 L CA 0.346 55.169 54.840 -0.028 0.000 0.874 46 L CB 0.398 42.438 42.059 -0.031 0.000 1.114 46 L HN 0.284 nan 8.230 nan 0.000 0.488 47 G N 1.819 110.594 108.800 -0.042 0.000 2.353 47 G HA2 -0.205 3.755 3.960 0.000 0.000 0.294 47 G HA3 -0.205 3.755 3.960 0.000 0.000 0.294 47 G C 0.200 175.060 174.900 -0.068 0.000 1.077 47 G CA 0.244 45.313 45.100 -0.051 0.000 1.098 47 G HN 0.453 nan 8.290 nan 0.000 0.511 48 A N -0.012 122.760 122.820 -0.081 0.000 2.302 48 A HA 0.937 5.257 4.320 0.000 0.000 0.285 48 A C 1.687 179.174 177.584 -0.161 0.000 1.105 48 A CA 0.607 52.583 52.037 -0.101 0.000 0.816 48 A CB 0.672 19.616 19.000 -0.094 0.000 1.067 48 A HN 1.926 nan 8.150 nan 0.000 0.489 49 A N 1.116 123.813 122.820 -0.205 0.000 1.859 49 A HA 0.028 4.348 4.320 0.000 0.000 0.217 49 A C 0.812 177.993 177.584 -0.673 0.000 1.198 49 A CA 2.198 53.977 52.037 -0.429 0.000 0.629 49 A CB -0.760 18.001 19.000 -0.398 0.000 0.830 49 A HN 0.972 nan 8.150 nan 0.000 0.446 50 H N -4.200 114.788 119.070 -0.137 0.000 2.980 50 H HA 0.613 5.169 4.556 0.000 0.000 0.367 50 H C -1.380 173.717 175.328 -0.385 0.000 1.206 50 H CA -0.846 55.051 56.048 -0.252 0.000 1.126 50 H CB 1.839 31.407 29.762 -0.323 0.000 1.838 50 H HN -0.003 nan 8.280 nan 0.000 0.552 51 V N 2.907 122.676 119.914 -0.242 0.000 2.326 51 V HA 0.178 4.298 4.120 0.000 0.000 0.281 51 V C -0.482 175.424 176.094 -0.313 0.000 1.015 51 V CA -0.758 61.391 62.300 -0.251 0.000 0.823 51 V CB 0.450 32.180 31.823 -0.155 0.000 1.009 51 V HN 0.725 nan 8.190 nan 0.000 0.436 52 H N 4.827 123.857 119.070 -0.067 0.000 2.580 52 H HA 0.444 5.000 4.556 0.000 0.000 0.322 52 H C -0.517 174.712 175.328 -0.166 0.000 1.082 52 H CA -0.669 55.297 56.048 -0.136 0.000 1.383 52 H CB 2.166 31.888 29.762 -0.066 0.000 1.450 52 H HN 0.419 nan 8.280 nan 0.000 0.505 53 L N 4.815 125.938 121.223 -0.166 0.000 2.324 53 L HA 0.224 4.564 4.340 0.000 0.000 0.274 53 L C -0.863 175.970 176.870 -0.062 0.000 1.012 53 L CA -0.609 54.082 54.840 -0.248 0.000 0.859 53 L CB 0.835 42.477 42.059 -0.696 0.000 1.224 53 L HN 0.286 nan 8.230 nan 0.000 0.429 54 V N 6.891 126.840 119.914 0.057 0.000 2.427 54 V HA 0.285 4.405 4.120 0.000 0.000 0.268 54 V C -0.150 176.088 176.094 0.240 0.000 1.046 54 V CA -0.168 62.222 62.300 0.151 0.000 0.970 54 V CB -0.074 31.809 31.823 0.099 0.000 1.001 54 V HN 0.743 nan 8.190 nan 0.000 0.476 55 Y N 2.976 123.331 120.300 0.092 0.000 2.633 55 Y HA 1.008 5.558 4.550 0.000 0.000 0.339 55 Y C 0.522 176.506 175.900 0.140 0.000 1.045 55 Y CA -0.171 58.015 58.100 0.143 0.000 1.098 55 Y CB 2.175 40.796 38.460 0.269 0.000 1.296 55 Y HN 0.603 nan 8.280 nan 0.000 0.494 56 G N 0.133 108.895 108.800 -0.063 0.000 3.432 56 G HA2 -0.031 3.929 3.960 0.000 0.000 0.124 56 G HA3 -0.031 3.929 3.960 0.000 0.000 0.124 56 G C -1.239 173.669 174.900 0.015 0.000 1.237 56 G CA -0.382 44.620 45.100 -0.163 0.000 1.347 56 G HN 0.927 nan 8.290 nan 0.000 0.654 57 H N 1.217 120.293 119.070 0.010 0.000 3.091 57 H HA 0.415 4.971 4.556 0.000 0.000 0.289 57 H C 1.264 176.642 175.328 0.083 0.000 0.995 57 H CA 1.494 57.563 56.048 0.035 0.000 1.461 57 H CB 0.157 29.934 29.762 0.025 0.000 1.510 57 H HN 1.344 nan 8.280 nan 0.000 0.546 58 G N 3.226 111.921 108.800 -0.175 0.000 2.160 58 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 58 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 58 G C 1.280 176.258 174.900 0.130 0.000 1.022 58 G CA 0.549 45.632 45.100 -0.028 0.000 0.741 58 G HN 1.019 nan 8.290 nan 0.000 0.508 59 G N 0.392 109.315 108.800 0.204 0.000 2.491 59 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 59 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 59 G C 1.287 176.294 174.900 0.178 0.000 1.180 59 G CA 1.610 46.961 45.100 0.419 0.000 0.774 59 G HN 0.460 nan 8.290 nan 0.000 0.562 60 D N -0.128 120.323 120.400 0.086 0.000 2.203 60 D HA -0.106 4.534 4.640 0.000 0.000 0.199 60 D C 2.420 178.715 176.300 -0.009 0.000 0.997 60 D CA 0.457 54.454 54.000 -0.005 0.000 0.863 60 D CB -0.112 40.682 40.800 -0.010 0.000 0.928 60 D HN 0.118 nan 8.370 nan 0.000 0.458 61 L N 0.273 121.519 121.223 0.038 0.000 2.023 61 L HA -0.045 4.295 4.340 0.000 0.000 0.205 61 L C 2.488 179.400 176.870 0.070 0.000 1.073 61 L CA 1.033 55.901 54.840 0.046 0.000 0.745 61 L CB -1.189 40.911 42.059 0.068 0.000 0.900 61 L HN 0.141 nan 8.230 nan 0.000 0.435 62 L N -0.598 120.707 121.223 0.136 0.000 1.970 62 L HA -0.305 4.035 4.340 0.000 0.000 0.212 62 L C 2.521 179.506 176.870 0.191 0.000 1.071 62 L CA 1.538 56.512 54.840 0.224 0.000 0.751 62 L CB -0.399 41.883 42.059 0.373 0.000 0.889 62 L HN 0.252 nan 8.230 nan 0.000 0.432 63 K N -0.850 119.486 120.400 -0.106 0.000 2.228 63 K HA -0.282 4.038 4.320 0.000 0.000 0.205 63 K C 2.050 178.507 176.600 -0.238 0.000 1.045 63 K CA 1.500 57.434 56.287 -0.588 0.000 0.931 63 K CB 0.024 32.074 32.500 -0.750 0.000 0.727 63 K HN 0.150 nan 8.250 nan 0.000 0.458 64 Q N -0.503 119.243 119.800 -0.090 0.000 2.200 64 Q HA 0.146 4.486 4.340 0.000 0.000 0.197 64 Q C 1.778 177.782 176.000 0.006 0.000 0.953 64 Q CA 1.416 57.190 55.803 -0.048 0.000 0.851 64 Q CB -0.164 28.552 28.738 -0.036 0.000 0.938 64 Q HN 0.238 nan 8.270 nan 0.000 0.488 65 A N 0.062 122.907 122.820 0.041 0.000 1.940 65 A HA 0.013 4.333 4.320 0.000 0.000 0.219 65 A C 0.359 177.982 177.584 0.066 0.000 1.176 65 A CA 1.078 53.146 52.037 0.051 0.000 0.631 65 A CB -0.515 18.524 19.000 0.064 0.000 0.814 65 A HN 0.338 nan 8.150 nan 0.000 0.446 66 L N -0.865 120.431 121.223 0.123 0.000 2.313 66 L HA 0.526 4.866 4.340 0.000 0.000 0.283 66 L C -0.545 176.419 176.870 0.157 0.000 1.013 66 L CA -0.834 54.086 54.840 0.133 0.000 0.816 66 L CB 1.822 43.974 42.059 0.154 0.000 1.236 66 L HN 0.183 nan 8.230 nan 0.000 0.419 67 K N -0.366 120.091 120.400 0.095 0.000 2.901 67 K HA 0.442 4.762 4.320 0.000 0.000 0.199 67 K C -1.190 175.456 176.600 0.077 0.000 1.140 67 K CA -0.406 55.930 56.287 0.082 0.000 1.030 67 K CB 0.164 32.686 32.500 0.038 0.000 1.437 67 K HN 0.396 nan 8.250 nan 0.000 0.552 68 D N 1.573 122.038 120.400 0.108 0.000 2.443 68 D HA 0.006 4.646 4.640 0.000 0.000 0.221 68 D C 0.123 176.474 176.300 0.085 0.000 1.097 68 D CA -0.248 53.790 54.000 0.064 0.000 0.865 68 D CB 1.135 41.946 40.800 0.017 0.000 1.034 68 D HN 0.358 nan 8.370 nan 0.000 0.511 69 D N 2.398 122.836 120.400 0.064 0.000 2.393 69 D HA -0.185 4.455 4.640 0.000 0.000 0.220 69 D C -0.207 176.128 176.300 0.058 0.000 0.974 69 D CA 0.825 54.865 54.000 0.067 0.000 0.931 69 D CB 0.191 41.016 40.800 0.042 0.000 0.889 69 D HN 0.401 nan 8.370 nan 0.000 0.512 70 N N -0.178 118.542 118.700 0.032 0.000 2.761 70 N HA 0.223 4.963 4.740 0.000 0.000 0.317 70 N C -1.081 174.405 175.510 -0.040 0.000 1.546 70 N CA -0.227 52.825 53.050 0.003 0.000 1.015 70 N CB 0.562 39.040 38.487 -0.015 0.000 1.343 70 N HN 0.034 nan 8.380 nan 0.000 0.504 71 L N 0.923 122.128 121.223 -0.031 0.000 2.439 71 L HA 0.329 4.669 4.340 0.000 0.000 0.270 71 L C -0.701 176.077 176.870 -0.153 0.000 0.972 71 L CA -0.672 54.052 54.840 -0.194 0.000 0.836 71 L CB 2.044 43.887 42.059 -0.359 0.000 1.255 71 L HN 0.276 nan 8.230 nan 0.000 0.404 72 N N 2.947 121.542 118.700 -0.175 0.000 2.420 72 N HA 0.201 4.941 4.740 0.000 0.000 0.249 72 N C -1.365 174.052 175.510 -0.155 0.000 1.033 72 N CA -0.566 52.453 53.050 -0.052 0.000 0.944 72 N CB 0.771 39.264 38.487 0.010 0.000 1.113 72 N HN 0.372 nan 8.380 nan 0.000 0.502 73 W N 3.712 124.968 121.300 -0.073 0.000 2.345 73 W HA 0.315 4.975 4.660 0.000 0.000 0.308 73 W C -0.247 176.300 176.519 0.047 0.000 1.273 73 W CA -0.503 56.802 57.345 -0.066 0.000 1.243 73 W CB 0.771 30.102 29.460 -0.214 0.000 1.260 73 W HN 0.061 nan 8.180 nan 0.000 0.509 74 V N 6.168 126.244 119.914 0.270 0.000 2.409 74 V HA 0.301 4.421 4.120 0.000 0.000 0.291 74 V C -0.364 175.921 176.094 0.317 0.000 1.020 74 V CA -1.160 61.247 62.300 0.177 0.000 0.848 74 V CB 1.090 32.870 31.823 -0.071 0.000 0.990 74 V HN 0.360 nan 8.190 nan 0.000 0.430 75 L N 4.316 125.653 121.223 0.190 0.000 2.312 75 L HA 0.521 4.861 4.340 0.000 0.000 0.281 75 L C 0.028 176.823 176.870 -0.125 0.000 1.070 75 L CA 0.474 55.191 54.840 -0.204 0.000 0.805 75 L CB 1.251 43.179 42.059 -0.217 0.000 1.174 75 L HN 0.809 nan 8.230 nan 0.000 0.434 76 Q N 4.137 123.833 119.800 -0.172 0.000 2.607 76 Q HA 0.392 4.732 4.340 0.000 0.000 0.247 76 Q C 0.502 176.476 176.000 -0.045 0.000 1.033 76 Q CA 0.065 55.843 55.803 -0.041 0.000 0.769 76 Q CB 1.405 30.156 28.738 0.022 0.000 1.169 76 Q HN 1.009 nan 8.270 nan 0.000 0.508 77 A N 3.725 126.525 122.820 -0.032 0.000 1.948 77 A HA -0.154 4.166 4.320 0.000 0.000 0.220 77 A C 0.318 177.907 177.584 0.008 0.000 1.177 77 A CA 1.341 53.362 52.037 -0.028 0.000 0.636 77 A CB 0.086 19.080 19.000 -0.010 0.000 0.815 77 A HN 0.710 nan 8.150 nan 0.000 0.449 78 E N -0.798 119.433 120.200 0.051 0.000 2.210 78 E HA 0.436 4.786 4.350 0.000 0.000 0.266 78 E C -1.265 175.344 176.600 0.015 0.000 0.883 78 E CA -0.531 55.880 56.400 0.017 0.000 0.761 78 E CB 1.335 31.023 29.700 -0.021 0.000 1.156 78 E HN 0.216 nan 8.360 nan 0.000 0.412 79 Q N 2.391 122.194 119.800 0.005 0.000 2.678 79 Q HA 0.194 4.534 4.340 0.000 0.000 0.222 79 Q C -0.018 175.965 176.000 -0.028 0.000 1.281 79 Q CA 0.231 56.046 55.803 0.020 0.000 0.994 79 Q CB 0.144 28.896 28.738 0.023 0.000 1.452 79 Q HN 0.510 nan 8.270 nan 0.000 0.570 80 L N 0.326 121.477 121.223 -0.120 0.000 2.685 80 L HA 0.448 4.788 4.340 0.000 0.000 0.233 80 L C 0.647 177.596 176.870 0.132 0.000 1.173 80 L CA -0.319 54.452 54.840 -0.116 0.000 0.961 80 L CB -0.245 41.527 42.059 -0.478 0.000 1.217 80 L HN 0.651 nan 8.230 nan 0.000 0.478 81 G N -0.478 108.416 108.800 0.157 0.000 2.406 81 G HA2 -0.175 3.785 3.960 0.000 0.000 0.680 81 G HA3 -0.175 3.785 3.960 0.000 0.000 0.680 81 G C 0.463 175.499 174.900 0.227 0.000 1.338 81 G CA -0.244 44.990 45.100 0.223 0.000 0.941 81 G HN 0.096 nan 8.290 nan 0.000 0.633 82 T N -1.575 113.091 114.554 0.187 0.000 2.788 82 T HA 0.050 4.400 4.350 0.000 0.000 0.268 82 T C 2.584 177.412 174.700 0.214 0.000 1.044 82 T CA 2.299 64.487 62.100 0.147 0.000 1.139 82 T CB -0.534 68.401 68.868 0.113 0.000 0.867 82 T HN 1.840 nan 8.240 nan 0.000 0.454 83 G N 0.741 109.706 108.800 0.276 0.000 2.418 83 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 83 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 83 G C 1.515 176.527 174.900 0.187 0.000 1.158 83 G CA 0.840 46.095 45.100 0.259 0.000 0.771 83 G HN 0.679 nan 8.290 nan 0.000 0.545 84 H N 1.240 120.377 119.070 0.111 0.000 2.319 84 H HA -0.057 4.499 4.556 0.000 0.000 0.299 84 H C 2.781 178.108 175.328 -0.001 0.000 1.092 84 H CA 1.620 57.650 56.048 -0.030 0.000 1.302 84 H CB -0.166 29.595 29.762 -0.002 0.000 1.373 84 H HN 0.295 nan 8.280 nan 0.000 0.497 85 A N 1.542 124.420 122.820 0.097 0.000 1.883 85 A HA -0.188 4.132 4.320 0.000 0.000 0.217 85 A C 2.567 180.155 177.584 0.006 0.000 1.186 85 A CA 1.831 53.894 52.037 0.043 0.000 0.624 85 A CB -0.619 18.438 19.000 0.095 0.000 0.822 85 A HN 0.381 nan 8.150 nan 0.000 0.444 86 M N -0.759 118.887 119.600 0.077 0.000 2.279 86 M HA -0.171 4.309 4.480 0.000 0.000 0.264 86 M C 2.149 178.447 176.300 -0.004 0.000 1.062 86 M CA 1.387 56.761 55.300 0.124 0.000 1.099 86 M CB -1.175 31.558 32.600 0.221 0.000 1.394 86 M HN 0.561 nan 8.290 nan 0.000 0.426 87 Q N -0.306 119.438 119.800 -0.094 0.000 2.291 87 Q HA -0.167 4.173 4.340 0.000 0.000 0.205 87 Q C 1.815 177.672 176.000 -0.238 0.000 0.970 87 Q CA 0.942 56.632 55.803 -0.188 0.000 0.876 87 Q CB 0.190 28.768 28.738 -0.267 0.000 0.935 87 Q HN 0.476 nan 8.270 nan 0.000 0.455 88 Q N -1.299 118.369 119.800 -0.220 0.000 2.389 88 Q HA 0.046 4.386 4.340 0.000 0.000 0.204 88 Q C 1.347 177.307 176.000 -0.067 0.000 0.944 88 Q CA 1.034 56.748 55.803 -0.150 0.000 0.908 88 Q CB 0.230 28.896 28.738 -0.120 0.000 1.002 88 Q HN 0.332 nan 8.270 nan 0.000 0.493 89 A N 0.409 123.134 122.820 -0.157 0.000 2.063 89 A HA 0.359 4.679 4.320 0.000 0.000 0.211 89 A C 2.239 179.370 177.584 -0.754 0.000 1.177 89 A CA 0.836 52.730 52.037 -0.238 0.000 0.759 89 A CB -0.268 18.658 19.000 -0.123 0.000 0.857 89 A HN 0.245 nan 8.150 nan 0.000 0.468 90 A N 1.335 123.569 122.820 -0.976 0.000 1.954 90 A HA -0.179 4.141 4.320 0.000 0.000 0.222 90 A C 0.098 177.211 177.584 -0.785 0.000 1.199 90 A CA 2.361 53.657 52.037 -1.236 0.000 0.657 90 A CB -1.897 16.815 19.000 -0.481 0.000 0.823 90 A HN 0.434 nan 8.150 nan 0.000 0.463 91 P HA -0.145 nan 4.420 nan 0.000 0.218 91 P C 0.456 177.428 177.300 -0.547 0.000 1.146 91 P CA 1.055 63.852 63.100 -0.504 0.000 0.813 91 P CB -0.189 31.138 31.700 -0.622 0.000 0.778 92 F N -2.885 116.841 119.950 -0.374 0.000 2.639 92 F HA 0.269 4.796 4.527 0.000 0.000 0.300 92 F C 0.814 176.690 175.800 0.126 0.000 1.109 92 F CA -0.775 57.120 58.000 -0.176 0.000 1.335 92 F CB -0.938 37.885 39.000 -0.295 0.000 1.014 92 F HN -0.186 nan 8.300 nan 0.000 0.537 93 F N 1.028 121.032 119.950 0.091 0.000 2.396 93 F HA 0.584 5.111 4.527 0.000 0.000 0.343 93 F C 0.734 176.573 175.800 0.065 0.000 1.104 93 F CA -1.450 56.608 58.000 0.097 0.000 1.161 93 F CB 0.865 39.898 39.000 0.055 0.000 1.146 93 F HN -0.108 nan 8.300 nan 0.000 0.522 94 A N 2.664 125.647 122.820 0.273 0.000 2.320 94 A HA 0.162 4.482 4.320 0.000 0.000 0.287 94 A C 0.696 178.342 177.584 0.104 0.000 1.181 94 A CA -0.694 51.437 52.037 0.157 0.000 0.831 94 A CB 0.294 19.381 19.000 0.145 0.000 1.102 94 A HN 0.790 nan 8.150 nan 0.000 0.513 95 D N 1.587 122.026 120.400 0.065 0.000 2.311 95 D HA -0.150 4.490 4.640 0.000 0.000 0.212 95 D C 0.674 176.981 176.300 0.011 0.000 0.972 95 D CA 2.055 56.070 54.000 0.026 0.000 0.887 95 D CB 0.012 40.815 40.800 0.005 0.000 0.915 95 D HN 0.858 nan 8.370 nan 0.000 0.497 96 D N -0.672 119.743 120.400 0.024 0.000 2.395 96 D HA 0.016 4.656 4.640 0.000 0.000 0.213 96 D C 0.317 176.627 176.300 0.015 0.000 1.110 96 D CA -0.320 53.689 54.000 0.015 0.000 0.835 96 D CB -0.073 40.737 40.800 0.018 0.000 0.965 96 D HN 0.290 nan 8.370 nan 0.000 0.505 97 E N 0.103 120.316 120.200 0.022 0.000 2.244 97 E HA 0.340 4.690 4.350 0.000 0.000 0.266 97 E C -1.039 175.549 176.600 -0.020 0.000 0.914 97 E CA -0.972 55.435 56.400 0.012 0.000 0.794 97 E CB 1.328 31.055 29.700 0.045 0.000 1.210 97 E HN -0.239 nan 8.360 nan 0.000 0.414 98 D N 1.854 122.235 120.400 -0.031 0.000 2.302 98 D HA 0.257 4.897 4.640 0.000 0.000 0.248 98 D C -0.359 175.885 176.300 -0.093 0.000 1.094 98 D CA -0.125 53.846 54.000 -0.049 0.000 0.897 98 D CB 0.896 41.676 40.800 -0.033 0.000 1.200 98 D HN 0.334 nan 8.370 nan 0.000 0.429 99 I N 3.075 123.560 120.570 -0.142 0.000 2.362 99 I HA 0.202 4.372 4.170 0.000 0.000 0.289 99 I C -0.240 175.795 176.117 -0.137 0.000 0.994 99 I CA -0.840 60.316 61.300 -0.239 0.000 1.158 99 I CB 1.212 38.890 38.000 -0.537 0.000 1.315 99 I HN 0.157 nan 8.210 nan 0.000 0.451 100 L N 7.739 128.901 121.223 -0.102 0.000 2.287 100 L HA 0.530 4.870 4.340 0.000 0.000 0.287 100 L C -0.494 176.354 176.870 -0.037 0.000 1.022 100 L CA -0.114 54.691 54.840 -0.058 0.000 0.814 100 L CB 1.256 43.286 42.059 -0.048 0.000 1.217 100 L HN 0.609 nan 8.230 nan 0.000 0.420 101 M N 6.389 125.974 119.600 -0.025 0.000 2.129 101 M HA 0.466 4.946 4.480 0.000 0.000 0.348 101 M C -1.677 174.605 176.300 -0.031 0.000 1.116 101 M CA -0.389 54.919 55.300 0.014 0.000 1.022 101 M CB 0.636 33.264 32.600 0.047 0.000 1.599 101 M HN 0.623 nan 8.290 nan 0.000 0.449 102 L N 4.956 126.201 121.223 0.037 0.000 2.354 102 L HA 0.528 4.868 4.340 0.000 0.000 0.269 102 L C -1.248 175.766 176.870 0.240 0.000 1.005 102 L CA -0.870 53.992 54.840 0.035 0.000 0.819 102 L CB 2.157 44.236 42.059 0.034 0.000 1.311 102 L HN 0.622 nan 8.230 nan 0.000 0.423 103 Y N -0.136 120.178 120.300 0.023 0.000 2.330 103 Y HA 0.164 4.714 4.550 0.000 0.000 0.336 103 Y C 1.306 177.216 175.900 0.017 0.000 1.036 103 Y CA -0.907 57.207 58.100 0.024 0.000 1.125 103 Y CB 2.143 40.617 38.460 0.024 0.000 1.194 103 Y HN 0.826 nan 8.280 nan 0.000 0.469 104 G N 1.157 110.048 108.800 0.151 0.000 2.535 104 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 104 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 104 G C 0.599 175.542 174.900 0.071 0.000 1.122 104 G CA 0.764 45.916 45.100 0.085 0.000 0.769 104 G HN 0.770 nan 8.290 nan 0.000 0.549 105 D N -0.279 120.167 120.400 0.078 0.000 2.501 105 D HA 0.097 4.737 4.640 0.000 0.000 0.226 105 D C 0.242 176.580 176.300 0.064 0.000 1.198 105 D CA -0.308 53.719 54.000 0.045 0.000 0.830 105 D CB 0.220 41.017 40.800 -0.004 0.000 1.014 105 D HN 0.073 nan 8.370 nan 0.000 0.496 106 V N 2.546 122.514 119.914 0.089 0.000 2.271 106 V HA 0.183 4.303 4.120 0.000 0.000 0.259 106 V C -1.410 174.698 176.094 0.024 0.000 1.030 106 V CA -1.095 61.245 62.300 0.067 0.000 0.957 106 V CB 1.359 33.237 31.823 0.092 0.000 1.186 106 V HN -0.003 nan 8.190 nan 0.000 0.471 107 P HA -0.107 nan 4.420 nan 0.000 0.217 107 P C 1.283 178.505 177.300 -0.130 0.000 1.150 107 P CA 1.187 64.237 63.100 -0.083 0.000 0.832 107 P CB 0.532 32.110 31.700 -0.203 0.000 0.787 108 L N -1.157 119.990 121.223 -0.127 0.000 2.599 108 L HA 0.113 4.453 4.340 0.000 0.000 0.230 108 L C 1.402 178.265 176.870 -0.012 0.000 1.141 108 L CA -0.712 54.076 54.840 -0.087 0.000 0.877 108 L CB -0.686 41.337 42.059 -0.060 0.000 1.009 108 L HN -0.054 nan 8.230 nan 0.000 0.447 109 I N 1.044 121.610 120.570 -0.007 0.000 2.826 109 I HA -0.108 4.062 4.170 0.000 0.000 0.295 109 I C 0.939 177.066 176.117 0.016 0.000 1.213 109 I CA 0.215 61.517 61.300 0.003 0.000 1.436 109 I CB 0.585 38.583 38.000 -0.004 0.000 1.348 109 I HN 0.160 nan 8.210 nan 0.000 0.570 110 S N 5.614 121.325 115.700 0.018 0.000 2.651 110 S HA 0.443 4.913 4.470 0.000 0.000 0.291 110 S C 0.995 175.604 174.600 0.014 0.000 1.141 110 S CA -0.576 57.639 58.200 0.026 0.000 1.027 110 S CB 1.618 64.836 63.200 0.031 0.000 1.043 110 S HN 0.506 nan 8.310 nan 0.000 0.530 111 V N 2.147 122.071 119.914 0.017 0.000 2.261 111 V HA -0.171 3.949 4.120 0.000 0.000 0.246 111 V C 2.807 178.902 176.094 0.003 0.000 1.047 111 V CA 2.259 64.564 62.300 0.007 0.000 1.015 111 V CB -1.130 30.698 31.823 0.009 0.000 0.642 111 V HN 0.982 nan 8.190 nan 0.000 0.446 112 E N 0.225 120.429 120.200 0.007 0.000 2.086 112 E HA -0.291 4.059 4.350 0.000 0.000 0.200 112 E C 2.079 178.679 176.600 0.000 0.000 1.012 112 E CA 2.254 58.656 56.400 0.004 0.000 0.812 112 E CB -1.305 28.400 29.700 0.008 0.000 0.743 112 E HN 0.587 nan 8.360 nan 0.000 0.453 113 T N 1.796 116.350 114.554 0.001 0.000 2.867 113 T HA -0.018 4.332 4.350 0.000 0.000 0.268 113 T C 2.087 176.779 174.700 -0.014 0.000 1.057 113 T CA 0.892 62.989 62.100 -0.005 0.000 1.136 113 T CB -0.173 68.694 68.868 -0.003 0.000 0.874 113 T HN 0.096 nan 8.240 nan 0.000 0.466 114 L N 0.754 121.968 121.223 -0.014 0.000 2.240 114 L HA -0.024 4.316 4.340 0.000 0.000 0.211 114 L C 2.885 179.743 176.870 -0.020 0.000 1.106 114 L CA 0.734 55.562 54.840 -0.021 0.000 0.793 114 L CB -0.461 41.586 42.059 -0.020 0.000 0.927 114 L HN 0.232 nan 8.230 nan 0.000 0.446 115 Q N 0.102 119.893 119.800 -0.015 0.000 2.046 115 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 115 Q C 2.273 178.264 176.000 -0.015 0.000 0.975 115 Q CA 1.182 56.977 55.803 -0.014 0.000 0.836 115 Q CB -0.245 28.487 28.738 -0.010 0.000 0.896 115 Q HN 0.486 nan 8.270 nan 0.000 0.428 116 R N 0.507 120.999 120.500 -0.014 0.000 2.091 116 R HA -0.148 4.192 4.340 0.000 0.000 0.238 116 R C 2.408 178.694 176.300 -0.022 0.000 1.136 116 R CA 1.056 57.147 56.100 -0.015 0.000 0.959 116 R CB -0.413 29.880 30.300 -0.012 0.000 0.856 116 R HN 0.134 nan 8.270 nan 0.000 0.437 117 L N 1.077 122.283 121.223 -0.028 0.000 1.994 117 L HA -0.190 4.150 4.340 0.000 0.000 0.208 117 L C 2.372 179.225 176.870 -0.028 0.000 1.071 117 L CA 1.778 56.596 54.840 -0.037 0.000 0.745 117 L CB -0.410 41.624 42.059 -0.043 0.000 0.892 117 L HN 0.015 nan 8.230 nan 0.000 0.431 118 R N -0.593 119.892 120.500 -0.024 0.000 2.105 118 R HA -0.187 4.153 4.340 0.000 0.000 0.239 118 R C 1.681 177.972 176.300 -0.015 0.000 1.135 118 R CA 1.848 57.936 56.100 -0.020 0.000 0.967 118 R CB -0.322 29.966 30.300 -0.020 0.000 0.861 118 R HN 0.486 nan 8.270 nan 0.000 0.442 119 D N -0.626 119.765 120.400 -0.014 0.000 2.312 119 D HA -0.055 4.585 4.640 0.000 0.000 0.211 119 D C 1.034 177.328 176.300 -0.010 0.000 0.964 119 D CA 0.990 54.983 54.000 -0.010 0.000 0.877 119 D CB 0.243 41.037 40.800 -0.009 0.000 0.924 119 D HN 0.323 nan 8.370 nan 0.000 0.515 120 A N 0.157 122.968 122.820 -0.014 0.000 2.308 120 A HA 0.010 4.330 4.320 0.000 0.000 0.217 120 A C 1.111 178.689 177.584 -0.011 0.000 1.216 120 A CA -0.239 51.789 52.037 -0.015 0.000 0.864 120 A CB -0.071 18.913 19.000 -0.027 0.000 0.902 120 A HN -0.064 nan 8.150 nan 0.000 0.499 121 K N 2.566 122.962 120.400 -0.006 0.000 2.363 121 K HA 0.189 4.509 4.320 0.000 0.000 0.289 121 K C -2.384 174.226 176.600 0.017 0.000 1.063 121 K CA -1.576 54.715 56.287 0.007 0.000 0.967 121 K CB 0.499 33.005 32.500 0.011 0.000 0.987 121 K HN 0.143 nan 8.250 nan 0.000 0.473 122 P HA -0.066 nan 4.420 nan 0.000 0.270 122 P C -0.716 176.607 177.300 0.039 0.000 1.223 122 P CA -0.202 62.915 63.100 0.029 0.000 0.785 122 P CB 0.559 32.279 31.700 0.033 0.000 0.923 123 Q N 0.996 120.816 119.800 0.033 0.000 2.271 123 Q HA 0.171 4.511 4.340 0.000 0.000 0.273 123 Q C 1.238 177.268 176.000 0.050 0.000 1.051 123 Q CA 1.298 57.120 55.803 0.033 0.000 0.901 123 Q CB -0.290 28.461 28.738 0.022 0.000 1.174 123 Q HN 0.883 nan 8.270 nan 0.000 0.385 124 G N 3.047 111.883 108.800 0.061 0.000 2.155 124 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 124 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 124 G C 0.332 175.331 174.900 0.166 0.000 0.983 124 G CA 0.288 45.442 45.100 0.090 0.000 0.676 124 G HN 0.880 nan 8.290 nan 0.000 0.528 125 G N -1.230 107.659 108.800 0.148 0.000 3.107 125 G HA2 0.760 4.720 3.960 0.000 0.000 0.232 125 G HA3 0.760 4.720 3.960 0.000 0.000 0.232 125 G C -0.629 174.377 174.900 0.176 0.000 1.339 125 G CA -0.974 44.222 45.100 0.159 0.000 1.033 125 G HN 0.599 nan 8.290 nan 0.000 0.567 126 I N 0.125 120.754 120.570 0.099 0.000 2.545 126 I HA 0.469 4.639 4.170 0.000 0.000 0.292 126 I C 0.282 176.409 176.117 0.018 0.000 1.040 126 I CA -0.842 60.500 61.300 0.069 0.000 1.068 126 I CB 2.429 40.427 38.000 -0.002 0.000 1.251 126 I HN 0.557 nan 8.210 nan 0.000 0.424 127 G N 6.219 115.025 108.800 0.010 0.000 2.329 127 G HA2 0.564 4.524 3.960 0.000 0.000 0.309 127 G HA3 0.564 4.524 3.960 0.000 0.000 0.309 127 G C -1.338 173.535 174.900 -0.046 0.000 1.110 127 G CA -0.251 44.836 45.100 -0.023 0.000 0.923 127 G HN 0.340 nan 8.290 nan 0.000 0.430 128 L N 3.300 124.480 121.223 -0.072 0.000 2.356 128 L HA 0.603 4.943 4.340 0.000 0.000 0.277 128 L C -0.878 175.918 176.870 -0.123 0.000 0.996 128 L CA -1.177 53.609 54.840 -0.090 0.000 0.822 128 L CB 1.907 43.914 42.059 -0.086 0.000 1.256 128 L HN 0.354 nan 8.230 nan 0.000 0.413 129 L N 5.325 126.479 121.223 -0.116 0.000 2.283 129 L HA 0.599 4.939 4.340 0.000 0.000 0.287 129 L C 0.169 176.973 176.870 -0.110 0.000 1.073 129 L CA 0.487 55.253 54.840 -0.123 0.000 0.822 129 L CB 0.629 42.630 42.059 -0.096 0.000 1.186 129 L HN 0.895 nan 8.230 nan 0.000 0.436 130 T N 2.010 116.489 114.554 -0.125 0.000 2.916 130 T HA 0.846 5.196 4.350 0.000 0.000 0.292 130 T C -0.825 173.956 174.700 0.135 0.000 1.064 130 T CA -0.803 61.277 62.100 -0.033 0.000 1.011 130 T CB 1.833 70.685 68.868 -0.026 0.000 1.152 130 T HN 0.422 nan 8.240 nan 0.000 0.510 131 V N 0.298 120.261 119.914 0.082 0.000 3.147 131 V HA 0.590 4.710 4.120 0.000 0.000 0.299 131 V C -1.445 174.622 176.094 -0.044 0.000 1.302 131 V CA -1.019 61.314 62.300 0.055 0.000 1.015 131 V CB 2.325 34.136 31.823 -0.019 0.000 1.086 131 V HN 1.150 nan 8.190 nan 0.000 0.437 132 K N 5.244 125.597 120.400 -0.079 0.000 2.227 132 K HA 0.561 4.881 4.320 0.000 0.000 0.280 132 K C -1.607 174.939 176.600 -0.090 0.000 1.041 132 K CA -0.404 55.833 56.287 -0.084 0.000 0.905 132 K CB 0.942 33.386 32.500 -0.093 0.000 1.068 132 K HN 0.653 nan 8.250 nan 0.000 0.470 133 L N 3.877 125.046 121.223 -0.089 0.000 2.365 133 L HA 0.183 4.523 4.340 0.000 0.000 0.273 133 L C 0.847 177.692 176.870 -0.042 0.000 1.000 133 L CA -0.734 54.056 54.840 -0.084 0.000 0.819 133 L CB 1.935 43.909 42.059 -0.141 0.000 1.284 133 L HN 0.695 nan 8.230 nan 0.000 0.418 134 D N 0.662 121.045 120.400 -0.027 0.000 2.149 134 D HA -0.134 4.506 4.640 0.000 0.000 0.198 134 D C 0.268 176.573 176.300 0.007 0.000 0.990 134 D CA 1.689 55.683 54.000 -0.010 0.000 0.839 134 D CB 0.270 41.066 40.800 -0.006 0.000 0.948 134 D HN 0.412 nan 8.370 nan 0.000 0.460 135 D N -0.827 119.583 120.400 0.017 0.000 2.420 135 D HA 0.148 4.788 4.640 0.000 0.000 0.255 135 D C -2.165 174.182 176.300 0.078 0.000 1.185 135 D CA -1.821 52.205 54.000 0.044 0.000 0.904 135 D CB 1.653 42.480 40.800 0.044 0.000 1.102 135 D HN -0.085 nan 8.370 nan 0.000 0.534 136 P HA 0.087 nan 4.420 nan 0.000 0.257 136 P C -0.111 177.320 177.300 0.219 0.000 1.325 136 P CA -0.185 63.010 63.100 0.157 0.000 0.850 136 P CB -0.067 31.690 31.700 0.094 0.000 1.324 137 T N 0.904 115.522 114.554 0.107 0.000 2.831 137 T HA 0.304 4.654 4.350 0.000 0.000 0.291 137 T C 1.504 176.004 174.700 -0.333 0.000 0.981 137 T CA 1.474 63.514 62.100 -0.100 0.000 1.174 137 T CB -0.145 68.675 68.868 -0.080 0.000 0.929 137 T HN 0.385 nan 8.240 nan 0.000 0.532 138 G N 2.621 110.953 108.800 -0.781 0.000 2.213 138 G HA2 -0.220 3.740 3.960 0.000 0.000 0.236 138 G HA3 -0.220 3.740 3.960 0.000 0.000 0.236 138 G C -0.091 174.584 174.900 -0.376 0.000 0.991 138 G CA -0.491 44.240 45.100 -0.615 0.000 0.629 138 G HN 0.682 nan 8.290 nan 0.000 0.517 139 Y N 1.017 121.256 120.300 -0.102 0.000 2.376 139 Y HA 0.539 5.089 4.550 0.000 0.000 0.325 139 Y C 1.334 177.242 175.900 0.015 0.000 1.199 139 Y CA -0.082 58.001 58.100 -0.028 0.000 1.206 139 Y CB 1.433 39.882 38.460 -0.018 0.000 1.229 139 Y HN 0.267 nan 8.280 nan 0.000 0.480 140 G N 2.404 111.308 108.800 0.174 0.000 2.398 140 G HA2 0.355 4.315 3.960 0.000 0.000 0.246 140 G HA3 0.355 4.315 3.960 0.000 0.000 0.246 140 G C -0.480 174.473 174.900 0.087 0.000 1.289 140 G CA -0.469 44.680 45.100 0.081 0.000 0.869 140 G HN 0.479 nan 8.290 nan 0.000 0.543 141 R N 0.625 121.160 120.500 0.059 0.000 2.486 141 R HA 0.410 4.750 4.340 0.000 0.000 0.286 141 R C 0.360 176.662 176.300 0.005 0.000 0.999 141 R CA -0.709 55.414 56.100 0.038 0.000 0.993 141 R CB 1.031 31.354 30.300 0.038 0.000 1.084 141 R HN 0.327 nan 8.270 nan 0.000 0.487 142 I N 2.545 123.111 120.570 -0.007 0.000 2.342 142 I HA 0.210 4.380 4.170 0.000 0.000 0.291 142 I C 0.449 176.542 176.117 -0.039 0.000 1.010 142 I CA -0.302 60.981 61.300 -0.029 0.000 1.308 142 I CB 0.978 38.962 38.000 -0.026 0.000 1.400 142 I HN 0.655 nan 8.210 nan 0.000 0.488 143 T N 4.922 119.438 114.554 -0.064 0.000 2.867 143 T HA 0.722 5.072 4.350 0.000 0.000 0.282 143 T C -0.073 174.564 174.700 -0.106 0.000 1.000 143 T CA -0.897 61.158 62.100 -0.076 0.000 1.042 143 T CB 2.158 70.975 68.868 -0.085 0.000 0.973 143 T HN 0.571 nan 8.240 nan 0.000 0.465 144 R N 1.090 121.539 120.500 -0.086 0.000 2.725 144 R HA 0.519 4.859 4.340 0.000 0.000 0.277 144 R C -1.020 175.239 176.300 -0.068 0.000 0.987 144 R CA -0.840 55.209 56.100 -0.086 0.000 0.901 144 R CB 2.122 32.394 30.300 -0.047 0.000 1.207 144 R HN 0.663 nan 8.270 nan 0.000 0.463 145 E N 2.179 122.342 120.200 -0.061 0.000 2.244 145 E HA 0.179 4.529 4.350 0.000 0.000 0.260 145 E C -0.881 175.724 176.600 0.008 0.000 0.884 145 E CA -0.507 55.880 56.400 -0.021 0.000 0.777 145 E CB 1.481 31.176 29.700 -0.009 0.000 1.197 145 E HN 0.557 nan 8.360 nan 0.000 0.416 146 N N 1.992 120.698 118.700 0.010 0.000 2.776 146 N HA -0.217 4.523 4.740 0.000 0.000 0.249 146 N C 0.755 176.274 175.510 0.015 0.000 1.111 146 N CA 1.291 54.351 53.050 0.017 0.000 0.711 146 N CB -1.323 37.183 38.487 0.031 0.000 1.065 146 N HN 0.971 nan 8.380 nan 0.000 0.556 147 G N -1.349 107.454 108.800 0.006 0.000 2.184 147 G HA2 -0.374 3.586 3.960 0.000 0.000 0.264 147 G HA3 -0.374 3.586 3.960 0.000 0.000 0.264 147 G C 0.097 175.002 174.900 0.007 0.000 0.975 147 G CA 1.089 46.193 45.100 0.006 0.000 0.642 147 G HN 0.538 nan 8.290 nan 0.000 0.536 148 K N -0.045 120.360 120.400 0.008 0.000 2.123 148 K HA 0.604 4.925 4.320 0.000 0.000 0.259 148 K C 0.332 176.908 176.600 -0.041 0.000 0.960 148 K CA -0.882 55.412 56.287 0.012 0.000 0.872 148 K CB 2.427 34.966 32.500 0.066 0.000 1.079 148 K HN 0.001 nan 8.250 nan 0.000 0.440 149 V N 2.880 122.764 119.914 -0.050 0.000 2.479 149 V HA -0.032 4.088 4.120 0.000 0.000 0.281 149 V C 1.343 177.279 176.094 -0.263 0.000 1.031 149 V CA 0.425 62.655 62.300 -0.116 0.000 1.038 149 V CB 0.626 32.402 31.823 -0.079 0.000 0.981 149 V HN 1.069 nan 8.190 nan 0.000 0.478 150 T N 1.113 115.412 114.554 -0.426 0.000 3.000 150 T HA 0.514 4.864 4.350 0.000 0.000 0.248 150 T C 0.718 175.109 174.700 -0.515 0.000 1.034 150 T CA 0.504 62.063 62.100 -0.902 0.000 1.060 150 T CB 0.719 69.074 68.868 -0.855 0.000 0.983 150 T HN 1.091 nan 8.240 nan 0.000 0.482 151 G N 0.399 109.037 108.800 -0.271 0.000 2.325 151 G HA2 0.519 4.479 3.960 0.000 0.000 0.295 151 G HA3 0.519 4.479 3.960 0.000 0.000 0.295 151 G C -2.252 172.591 174.900 -0.094 0.000 1.274 151 G CA -0.983 44.024 45.100 -0.156 0.000 0.857 151 G HN 0.344 nan 8.290 nan 0.000 0.499 152 I N -0.058 120.481 120.570 -0.050 0.000 2.582 152 I HA 0.558 4.728 4.170 0.000 0.000 0.292 152 I C -0.646 175.470 176.117 -0.000 0.000 1.066 152 I CA -1.145 60.140 61.300 -0.024 0.000 1.053 152 I CB 2.474 40.467 38.000 -0.013 0.000 1.241 152 I HN 0.264 nan 8.210 nan 0.000 0.421 153 V N 4.769 124.684 119.914 0.002 0.000 2.444 153 V HA 0.331 4.451 4.120 0.000 0.000 0.294 153 V C -0.039 176.061 176.094 0.010 0.000 1.022 153 V CA -0.855 61.455 62.300 0.017 0.000 0.850 153 V CB 1.603 33.430 31.823 0.008 0.000 0.992 153 V HN 0.576 nan 8.190 nan 0.000 0.426 154 E N 1.866 122.061 120.200 -0.007 0.000 2.398 154 E HA 0.032 4.382 4.350 0.000 0.000 0.263 154 E C 0.934 177.552 176.600 0.029 0.000 1.046 154 E CA 0.180 56.547 56.400 -0.056 0.000 0.908 154 E CB 0.778 30.334 29.700 -0.241 0.000 0.963 154 E HN 0.755 nan 8.360 nan 0.000 0.431 155 H N 3.690 122.736 119.070 -0.041 0.000 2.319 155 H HA -0.141 4.415 4.556 0.000 0.000 0.297 155 H C 1.439 176.763 175.328 -0.007 0.000 1.097 155 H CA 2.279 58.317 56.048 -0.016 0.000 1.285 155 H CB 0.442 30.189 29.762 -0.025 0.000 1.368 155 H HN 0.296 nan 8.280 nan 0.000 0.495 156 K N -0.036 120.419 120.400 0.092 0.000 2.103 156 K HA -0.134 4.186 4.320 0.000 0.000 0.207 156 K C 1.382 177.981 176.600 -0.000 0.000 1.048 156 K CA 1.561 57.875 56.287 0.045 0.000 0.930 156 K CB -0.009 32.542 32.500 0.085 0.000 0.716 156 K HN 0.613 nan 8.250 nan 0.000 0.444 157 D N 0.603 121.022 120.400 0.030 0.000 2.349 157 D HA 0.030 4.670 4.640 0.000 0.000 0.215 157 D C 0.382 176.674 176.300 -0.013 0.000 1.016 157 D CA 0.083 54.103 54.000 0.034 0.000 0.870 157 D CB 0.294 41.158 40.800 0.107 0.000 0.917 157 D HN 0.081 nan 8.370 nan 0.000 0.524 158 A N 1.616 124.399 122.820 -0.062 0.000 2.440 158 A HA 0.325 4.645 4.320 0.000 0.000 0.251 158 A C 0.851 178.378 177.584 -0.095 0.000 1.089 158 A CA -0.294 51.694 52.037 -0.082 0.000 0.779 158 A CB 0.344 19.274 19.000 -0.116 0.000 1.022 158 A HN 0.120 nan 8.150 nan 0.000 0.492 159 T N -0.777 113.740 114.554 -0.061 0.000 2.874 159 T HA 0.481 4.831 4.350 0.000 0.000 0.281 159 T C 1.207 175.875 174.700 -0.054 0.000 0.994 159 T CA 0.452 62.521 62.100 -0.051 0.000 1.015 159 T CB 0.602 69.451 68.868 -0.031 0.000 1.028 159 T HN 0.953 nan 8.240 nan 0.000 0.523 160 D N 1.137 121.511 120.400 -0.043 0.000 2.248 160 D HA -0.260 4.380 4.640 0.000 0.000 0.189 160 D C 1.693 177.978 176.300 -0.026 0.000 1.011 160 D CA 2.360 56.339 54.000 -0.034 0.000 0.868 160 D CB -1.141 39.646 40.800 -0.022 0.000 0.931 160 D HN 0.919 nan 8.370 nan 0.000 0.449 161 E N -0.311 119.876 120.200 -0.021 0.000 2.216 161 E HA 0.017 4.367 4.350 0.000 0.000 0.192 161 E C 2.377 178.968 176.600 -0.016 0.000 0.988 161 E CA 0.781 57.172 56.400 -0.015 0.000 0.834 161 E CB -0.035 29.658 29.700 -0.013 0.000 0.772 161 E HN 0.653 nan 8.360 nan 0.000 0.479 162 Q N 0.394 120.180 119.800 -0.023 0.000 2.172 162 Q HA 0.026 4.366 4.340 0.000 0.000 0.200 162 Q C 1.777 177.768 176.000 -0.015 0.000 0.964 162 Q CA 0.639 56.429 55.803 -0.021 0.000 0.855 162 Q CB 0.064 28.786 28.738 -0.026 0.000 0.918 162 Q HN 0.140 nan 8.270 nan 0.000 0.444 163 R N 0.395 120.878 120.500 -0.029 0.000 2.339 163 R HA -0.045 4.295 4.340 0.000 0.000 0.199 163 R C 1.373 177.686 176.300 0.021 0.000 1.018 163 R CA 0.530 56.621 56.100 -0.014 0.000 1.036 163 R CB 0.234 30.493 30.300 -0.067 0.000 0.899 163 R HN 0.346 nan 8.270 nan 0.000 0.473 164 Q N -0.047 119.758 119.800 0.009 0.000 2.356 164 Q HA 0.149 4.489 4.340 0.000 0.000 0.205 164 Q C 0.126 176.133 176.000 0.011 0.000 0.901 164 Q CA 0.144 55.954 55.803 0.012 0.000 0.938 164 Q CB 0.635 29.375 28.738 0.004 0.000 1.081 164 Q HN 0.308 nan 8.270 nan 0.000 0.517 165 I N 1.476 122.053 120.570 0.011 0.000 2.556 165 I HA -0.055 4.115 4.170 0.000 0.000 0.284 165 I C 1.051 177.176 176.117 0.012 0.000 1.114 165 I CA 0.317 61.620 61.300 0.006 0.000 1.418 165 I CB 0.867 38.868 38.000 0.002 0.000 1.394 165 I HN 0.027 nan 8.210 nan 0.000 0.552 166 Q N 2.910 122.710 119.800 -0.001 0.000 2.356 166 Q HA 0.074 4.414 4.340 0.000 0.000 0.205 166 Q C 0.251 176.235 176.000 -0.027 0.000 0.901 166 Q CA 0.178 55.975 55.803 -0.009 0.000 0.938 166 Q CB 0.422 29.150 28.738 -0.018 0.000 1.081 166 Q HN 0.524 nan 8.270 nan 0.000 0.517 167 E N 1.368 121.556 120.200 -0.019 0.000 2.105 167 E HA 0.215 4.565 4.350 0.000 0.000 0.285 167 E C -0.868 175.719 176.600 -0.022 0.000 1.055 167 E CA -0.505 55.883 56.400 -0.020 0.000 0.843 167 E CB 0.405 30.107 29.700 0.004 0.000 1.067 167 E HN 0.191 nan 8.360 nan 0.000 0.398 168 I N 1.528 122.062 120.570 -0.059 0.000 2.707 168 I HA 0.418 4.588 4.170 0.000 0.000 0.309 168 I C -0.168 175.915 176.117 -0.057 0.000 1.001 168 I CA -1.103 60.161 61.300 -0.059 0.000 1.129 168 I CB 1.224 39.129 38.000 -0.159 0.000 1.308 168 I HN 0.255 nan 8.210 nan 0.000 0.466 169 N N 1.834 120.530 118.700 -0.007 0.000 2.470 169 N HA 0.155 4.895 4.740 0.000 0.000 0.268 169 N C 0.894 176.400 175.510 -0.007 0.000 1.136 169 N CA 0.344 53.387 53.050 -0.013 0.000 0.961 169 N CB 0.997 39.489 38.487 0.009 0.000 1.067 169 N HN 0.879 nan 8.380 nan 0.000 0.468 170 T N 0.688 115.208 114.554 -0.057 0.000 3.088 170 T HA 0.200 4.550 4.350 0.000 0.000 0.259 170 T C 1.312 175.960 174.700 -0.086 0.000 1.122 170 T CA 0.510 62.577 62.100 -0.054 0.000 1.095 170 T CB -0.474 68.347 68.868 -0.078 0.000 0.930 170 T HN 0.786 nan 8.240 nan 0.000 0.508 171 G N 0.904 109.598 108.800 -0.176 0.000 2.175 171 G HA2 -0.182 3.778 3.960 0.000 0.000 0.244 171 G HA3 -0.182 3.778 3.960 0.000 0.000 0.244 171 G C -0.107 174.375 174.900 -0.697 0.000 0.982 171 G CA -0.005 44.769 45.100 -0.543 0.000 0.641 171 G HN 0.621 nan 8.290 nan 0.000 0.527 172 I N 1.396 121.758 120.570 -0.348 0.000 2.377 172 I HA 0.729 4.899 4.170 0.000 0.000 0.293 172 I C 0.097 176.119 176.117 -0.158 0.000 0.987 172 I CA -1.046 60.104 61.300 -0.250 0.000 1.185 172 I CB 1.550 39.454 38.000 -0.160 0.000 1.341 172 I HN 0.381 nan 8.210 nan 0.000 0.455 173 L N 5.918 127.070 121.223 -0.118 0.000 2.671 173 L HA 0.717 5.057 4.340 0.000 0.000 0.259 173 L C -1.366 175.483 176.870 -0.035 0.000 1.021 173 L CA -0.673 54.127 54.840 -0.067 0.000 0.871 173 L CB 1.577 43.606 42.059 -0.050 0.000 1.472 173 L HN 0.514 nan 8.230 nan 0.000 0.410 174 I N 0.544 121.106 120.570 -0.014 0.000 2.730 174 I HA 0.961 5.131 4.170 0.000 0.000 0.298 174 I C -0.947 175.196 176.117 0.044 0.000 1.089 174 I CA -0.436 60.863 61.300 -0.002 0.000 1.041 174 I CB 1.950 39.940 38.000 -0.018 0.000 1.235 174 I HN 1.226 nan 8.210 nan 0.000 0.423 175 A N 5.655 128.507 122.820 0.054 0.000 2.586 175 A HA 0.350 4.670 4.320 0.000 0.000 0.290 175 A C -1.444 176.161 177.584 0.036 0.000 1.086 175 A CA -0.765 51.345 52.037 0.121 0.000 0.665 175 A CB 1.392 20.585 19.000 0.322 0.000 1.279 175 A HN 0.752 nan 8.150 nan 0.000 0.423 176 N N 0.336 119.049 118.700 0.020 0.000 2.492 176 N HA 0.144 4.884 4.740 0.000 0.000 0.262 176 N C 1.248 176.704 175.510 -0.089 0.000 1.202 176 N CA 0.680 53.703 53.050 -0.044 0.000 0.926 176 N CB 1.373 39.828 38.487 -0.053 0.000 1.078 176 N HN 0.821 nan 8.380 nan 0.000 0.454 177 G N 2.956 111.712 108.800 -0.073 0.000 2.440 177 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 177 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 177 G C 1.410 176.312 174.900 0.004 0.000 1.154 177 G CA 1.100 46.183 45.100 -0.028 0.000 0.767 177 G HN 0.761 nan 8.290 nan 0.000 0.552 178 A N 0.949 123.738 122.820 -0.051 0.000 1.877 178 A HA -0.066 4.254 4.320 0.000 0.000 0.216 178 A C 2.128 179.571 177.584 -0.234 0.000 1.186 178 A CA 2.083 54.065 52.037 -0.092 0.000 0.620 178 A CB -0.514 18.436 19.000 -0.084 0.000 0.822 178 A HN 0.272 nan 8.150 nan 0.000 0.443 179 D N -0.971 119.212 120.400 -0.362 0.000 2.123 179 D HA -0.169 4.471 4.640 0.000 0.000 0.196 179 D C 1.834 177.468 176.300 -1.109 0.000 0.992 179 D CA 1.738 55.244 54.000 -0.823 0.000 0.833 179 D CB -0.293 40.009 40.800 -0.830 0.000 0.954 179 D HN 0.382 nan 8.370 nan 0.000 0.455 180 M N 0.964 120.271 119.600 -0.488 0.000 2.065 180 M HA -0.161 4.319 4.480 0.000 0.000 0.259 180 M C 1.847 178.151 176.300 0.007 0.000 1.069 180 M CA 1.667 56.924 55.300 -0.071 0.000 1.110 180 M CB -0.064 32.623 32.600 0.146 0.000 1.328 180 M HN -0.209 nan 8.290 nan 0.000 0.405 181 K N -0.691 119.716 120.400 0.010 0.000 2.113 181 K HA -0.200 4.120 4.320 0.000 0.000 0.208 181 K C 1.913 178.484 176.600 -0.048 0.000 1.047 181 K CA 1.894 58.185 56.287 0.006 0.000 0.928 181 K CB -0.261 32.230 32.500 -0.016 0.000 0.716 181 K HN 0.430 nan 8.250 nan 0.000 0.446 182 R N -0.276 120.118 120.500 -0.177 0.000 2.073 182 R HA -0.121 4.219 4.340 0.000 0.000 0.234 182 R C 2.113 178.413 176.300 0.001 0.000 1.134 182 R CA 1.448 57.452 56.100 -0.160 0.000 0.952 182 R CB -0.316 29.796 30.300 -0.313 0.000 0.850 182 R HN 0.313 nan 8.270 nan 0.000 0.433 183 W N 1.217 122.556 121.300 0.065 0.000 2.436 183 W HA 0.030 4.690 4.660 0.000 0.000 0.284 183 W C 1.986 178.550 176.519 0.075 0.000 1.225 183 W CA 0.272 57.659 57.345 0.071 0.000 1.271 183 W CB -0.788 28.720 29.460 0.080 0.000 1.114 183 W HN 0.074 nan 8.180 nan 0.000 0.559 184 L N 0.457 121.844 121.223 0.274 0.000 2.083 184 L HA -0.162 4.178 4.340 0.000 0.000 0.209 184 L C 2.624 179.564 176.870 0.116 0.000 1.083 184 L CA 1.469 56.419 54.840 0.182 0.000 0.752 184 L CB -1.004 41.130 42.059 0.125 0.000 0.899 184 L HN -0.135 nan 8.230 nan 0.000 0.433 185 A N -0.498 122.375 122.820 0.089 0.000 2.067 185 A HA -0.148 4.172 4.320 0.000 0.000 0.219 185 A C 2.108 179.743 177.584 0.086 0.000 1.158 185 A CA 1.172 53.243 52.037 0.056 0.000 0.661 185 A CB -0.230 18.789 19.000 0.031 0.000 0.801 185 A HN 0.311 nan 8.150 nan 0.000 0.452 186 K N -0.380 120.097 120.400 0.129 0.000 2.444 186 K HA 0.230 4.550 4.320 0.000 0.000 0.193 186 K C -0.262 176.422 176.600 0.140 0.000 1.024 186 K CA -0.122 56.245 56.287 0.132 0.000 1.077 186 K CB -0.062 32.534 32.500 0.159 0.000 0.833 186 K HN 0.422 nan 8.250 nan 0.000 0.517 187 L N 2.098 123.420 121.223 0.164 0.000 2.416 187 L HA 0.048 4.388 4.340 0.000 0.000 0.272 187 L C 0.918 177.950 176.870 0.269 0.000 1.161 187 L CA 0.090 55.057 54.840 0.211 0.000 0.845 187 L CB 0.645 42.859 42.059 0.259 0.000 1.119 187 L HN 0.156 nan 8.230 nan 0.000 0.464 188 T N -1.273 113.398 114.554 0.195 0.000 2.773 188 T HA 0.378 4.728 4.350 0.000 0.000 0.278 188 T C -0.136 174.454 174.700 -0.184 0.000 1.011 188 T CA -0.894 61.267 62.100 0.101 0.000 1.014 188 T CB 1.721 70.599 68.868 0.016 0.000 1.293 188 T HN 0.618 nan 8.240 nan 0.000 0.554 189 N N 0.140 118.592 118.700 -0.414 0.000 2.599 189 N HA 0.166 4.906 4.740 0.000 0.000 0.309 189 N C -1.073 174.212 175.510 -0.375 0.000 1.743 189 N CA -0.619 52.064 53.050 -0.611 0.000 0.918 189 N CB -0.563 37.331 38.487 -0.989 0.000 1.339 189 N HN 0.413 nan 8.380 nan 0.000 0.493 190 N N 1.320 119.868 118.700 -0.253 0.000 3.245 190 N HA 0.122 4.862 4.740 0.000 0.000 0.296 190 N C -0.773 174.635 175.510 -0.171 0.000 1.254 190 N CA -0.215 52.733 53.050 -0.170 0.000 1.190 190 N CB -0.008 38.419 38.487 -0.099 0.000 1.460 190 N HN 0.653 nan 8.380 nan 0.000 0.538 191 N N -1.820 116.749 118.700 -0.218 0.000 3.278 191 N HA 0.527 5.267 4.740 0.000 0.000 0.307 191 N C 0.488 175.942 175.510 -0.093 0.000 1.551 191 N CA -0.942 52.011 53.050 -0.161 0.000 0.794 191 N CB 0.219 38.522 38.487 -0.308 0.000 1.770 191 N HN -0.108 nan 8.380 nan 0.000 0.612 192 A N -1.108 121.708 122.820 -0.007 0.000 2.067 192 A HA -0.085 4.235 4.320 0.000 0.000 0.219 192 A C 1.688 179.278 177.584 0.009 0.000 1.158 192 A CA 1.290 53.334 52.037 0.012 0.000 0.661 192 A CB -0.690 18.337 19.000 0.045 0.000 0.801 192 A HN 0.692 nan 8.150 nan 0.000 0.452 193 Q N -2.531 117.278 119.800 0.015 0.000 2.378 193 Q HA 0.296 4.636 4.340 0.000 0.000 0.216 193 Q C 1.104 177.064 176.000 -0.066 0.000 0.892 193 Q CA 0.542 56.353 55.803 0.013 0.000 0.931 193 Q CB 0.513 29.320 28.738 0.115 0.000 1.086 193 Q HN 0.822 nan 8.270 nan 0.000 0.528 194 G N 1.102 109.807 108.800 -0.158 0.000 2.143 194 G HA2 -0.268 3.692 3.960 0.000 0.000 0.249 194 G HA3 -0.268 3.692 3.960 0.000 0.000 0.249 194 G C -0.230 174.485 174.900 -0.307 0.000 0.981 194 G CA 0.402 45.371 45.100 -0.218 0.000 0.665 194 G HN 0.342 nan 8.290 nan 0.000 0.528 195 E N -1.194 118.821 120.200 -0.308 0.000 2.254 195 E HA 0.605 4.955 4.350 0.000 0.000 0.258 195 E C -0.807 175.522 176.600 -0.452 0.000 1.033 195 E CA -1.022 55.227 56.400 -0.251 0.000 0.893 195 E CB 0.849 30.577 29.700 0.047 0.000 1.204 195 E HN 0.252 nan 8.360 nan 0.000 0.425 196 Y N 0.674 120.954 120.300 -0.032 0.000 2.385 196 Y HA 0.207 4.757 4.550 0.000 0.000 0.341 196 Y C -0.558 175.453 175.900 0.184 0.000 0.965 196 Y CA -0.524 57.587 58.100 0.017 0.000 1.180 196 Y CB 0.301 38.825 38.460 0.107 0.000 1.139 196 Y HN 0.317 nan 8.280 nan 0.000 0.502 197 Y N 3.662 124.061 120.300 0.166 0.000 2.316 197 Y HA 0.108 4.658 4.550 0.000 0.000 0.331 197 Y C 1.187 177.182 175.900 0.158 0.000 1.083 197 Y CA -0.867 57.314 58.100 0.135 0.000 1.206 197 Y CB 1.217 39.728 38.460 0.085 0.000 1.195 197 Y HN 0.637 nan 8.280 nan 0.000 0.497 198 I N 2.220 122.983 120.570 0.321 0.000 2.928 198 I HA -0.180 3.990 4.170 0.000 0.000 0.266 198 I C 2.203 178.441 176.117 0.201 0.000 1.234 198 I CA 1.350 62.803 61.300 0.256 0.000 1.483 198 I CB -0.166 37.988 38.000 0.258 0.000 1.097 198 I HN 0.755 nan 8.210 nan 0.000 0.455 199 T N -3.277 111.392 114.554 0.192 0.000 3.051 199 T HA -0.086 4.264 4.350 0.000 0.000 0.269 199 T C 1.489 176.249 174.700 0.100 0.000 1.127 199 T CA 1.046 63.214 62.100 0.113 0.000 1.107 199 T CB -0.516 68.390 68.868 0.063 0.000 0.898 199 T HN 0.253 nan 8.240 nan 0.000 0.517 200 D N 1.648 122.141 120.400 0.155 0.000 2.277 200 D HA 0.054 4.694 4.640 0.000 0.000 0.208 200 D C 2.019 178.337 176.300 0.031 0.000 0.962 200 D CA 0.523 54.590 54.000 0.111 0.000 0.865 200 D CB -0.281 40.606 40.800 0.146 0.000 0.939 200 D HN 0.708 nan 8.370 nan 0.000 0.510 201 I N -2.088 118.493 120.570 0.017 0.000 2.614 201 I HA -0.170 4.000 4.170 0.000 0.000 0.258 201 I C 1.608 177.527 176.117 -0.331 0.000 1.189 201 I CA 0.617 61.839 61.300 -0.131 0.000 1.462 201 I CB -0.162 37.825 38.000 -0.020 0.000 1.092 201 I HN -0.174 nan 8.210 nan 0.000 0.442 202 I N 2.656 123.113 120.570 -0.187 0.000 2.179 202 I HA -0.216 3.954 4.170 0.000 0.000 0.242 202 I C 3.020 179.048 176.117 -0.149 0.000 1.088 202 I CA 1.797 62.981 61.300 -0.193 0.000 1.357 202 I CB -1.636 36.295 38.000 -0.115 0.000 1.051 202 I HN 0.363 nan 8.210 nan 0.000 0.409 203 A N 0.531 123.298 122.820 -0.090 0.000 2.015 203 A HA -0.092 4.228 4.320 0.000 0.000 0.219 203 A C 2.411 180.004 177.584 0.015 0.000 1.163 203 A CA 0.927 52.954 52.037 -0.017 0.000 0.646 203 A CB -0.552 18.444 19.000 -0.007 0.000 0.806 203 A HN 0.355 nan 8.150 nan 0.000 0.448 204 L N -0.889 120.273 121.223 -0.101 0.000 1.961 204 L HA -0.165 4.175 4.340 0.000 0.000 0.209 204 L C 3.171 179.903 176.870 -0.229 0.000 1.075 204 L CA 1.135 55.897 54.840 -0.130 0.000 0.749 204 L CB -0.788 41.170 42.059 -0.167 0.000 0.890 204 L HN 0.412 nan 8.230 nan 0.000 0.433 205 A N -0.324 122.112 122.820 -0.639 0.000 1.884 205 A HA -0.357 3.963 4.320 0.000 0.000 0.219 205 A C 2.220 179.736 177.584 -0.114 0.000 1.197 205 A CA 2.316 54.020 52.037 -0.555 0.000 0.637 205 A CB -1.365 17.069 19.000 -0.943 0.000 0.827 205 A HN 0.574 nan 8.150 nan 0.000 0.450 206 Y N 0.244 120.427 120.300 -0.195 0.000 2.241 206 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 206 Y C 2.391 178.264 175.900 -0.046 0.000 1.166 206 Y CA 2.405 60.449 58.100 -0.093 0.000 1.203 206 Y CB -0.368 38.038 38.460 -0.089 0.000 0.977 206 Y HN 0.428 nan 8.280 nan 0.000 0.529 207 Q N 0.338 120.116 119.800 -0.037 0.000 2.172 207 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 207 Q C 1.654 177.600 176.000 -0.090 0.000 0.964 207 Q CA 1.677 57.429 55.803 -0.086 0.000 0.855 207 Q CB 0.012 28.768 28.738 0.030 0.000 0.918 207 Q HN 0.607 nan 8.270 nan 0.000 0.444 208 E N -1.218 118.971 120.200 -0.018 0.000 2.511 208 E HA 0.049 4.399 4.350 0.000 0.000 0.196 208 E C 0.624 177.211 176.600 -0.022 0.000 1.066 208 E CA 0.359 56.778 56.400 0.031 0.000 0.871 208 E CB 0.146 29.940 29.700 0.156 0.000 0.863 208 E HN 0.488 nan 8.360 nan 0.000 0.520 209 G N 1.982 110.708 108.800 -0.124 0.000 2.159 209 G HA2 -0.275 3.685 3.960 0.000 0.000 0.256 209 G HA3 -0.275 3.685 3.960 0.000 0.000 0.256 209 G C 0.265 175.125 174.900 -0.066 0.000 0.977 209 G CA -0.157 44.855 45.100 -0.147 0.000 0.652 209 G HN 0.047 nan 8.290 nan 0.000 0.531 210 R N 0.600 121.096 120.500 -0.008 0.000 2.679 210 R HA 0.440 4.780 4.340 0.000 0.000 0.269 210 R C 0.353 176.679 176.300 0.044 0.000 1.076 210 R CA -0.312 55.823 56.100 0.057 0.000 1.160 210 R CB 0.420 30.807 30.300 0.146 0.000 1.054 210 R HN 0.581 nan 8.270 nan 0.000 0.507 211 E N 1.072 121.308 120.200 0.059 0.000 2.175 211 E HA 0.290 4.640 4.350 0.000 0.000 0.278 211 E C -0.823 175.807 176.600 0.049 0.000 0.969 211 E CA -0.600 55.834 56.400 0.056 0.000 0.796 211 E CB 0.821 30.548 29.700 0.044 0.000 1.104 211 E HN 0.311 nan 8.360 nan 0.000 0.395 212 I N 4.702 125.298 120.570 0.044 0.000 2.339 212 I HA 0.200 4.370 4.170 0.000 0.000 0.290 212 I C -0.841 175.274 176.117 -0.003 0.000 0.994 212 I CA -0.614 60.691 61.300 0.008 0.000 1.191 212 I CB 1.708 39.699 38.000 -0.014 0.000 1.343 212 I HN 0.281 nan 8.210 nan 0.000 0.458 213 V N 5.818 125.722 119.914 -0.017 0.000 2.435 213 V HA 0.722 4.842 4.120 0.000 0.000 0.290 213 V C 0.315 176.365 176.094 -0.073 0.000 1.030 213 V CA -0.757 61.523 62.300 -0.034 0.000 0.881 213 V CB 1.474 33.282 31.823 -0.025 0.000 0.983 213 V HN 0.791 nan 8.190 nan 0.000 0.445 214 A N 5.013 127.770 122.820 -0.104 0.000 2.290 214 A HA 0.814 5.134 4.320 0.000 0.000 0.310 214 A C -0.502 176.889 177.584 -0.321 0.000 1.202 214 A CA -0.402 51.518 52.037 -0.195 0.000 0.837 214 A CB 0.901 19.793 19.000 -0.181 0.000 1.139 214 A HN 0.696 nan 8.150 nan 0.000 0.509 215 V N 3.337 123.032 119.914 -0.365 0.000 2.815 215 V HA 0.476 4.596 4.120 0.000 0.000 0.314 215 V C -0.394 175.392 176.094 -0.512 0.000 1.064 215 V CA -0.829 61.252 62.300 -0.365 0.000 0.952 215 V CB 1.780 33.504 31.823 -0.165 0.000 1.020 215 V HN 0.936 nan 8.190 nan 0.000 0.439 216 H N 2.635 121.687 119.070 -0.030 0.000 2.573 216 H HA 0.546 5.102 4.556 0.000 0.000 0.351 216 H C -2.312 172.998 175.328 -0.031 0.000 1.163 216 H CA -1.669 54.358 56.048 -0.035 0.000 1.205 216 H CB 2.282 32.025 29.762 -0.033 0.000 1.605 216 H HN 0.483 nan 8.280 nan 0.000 0.525 217 P HA 0.158 nan 4.420 nan 0.000 0.289 217 P C 0.260 177.582 177.300 0.037 0.000 1.299 217 P CA -0.301 62.822 63.100 0.038 0.000 0.766 217 P CB 1.696 33.407 31.700 0.018 0.000 1.226 218 Q N -0.936 118.876 119.800 0.021 0.000 2.123 218 Q HA 0.041 4.381 4.340 0.000 0.000 0.196 218 Q C 0.473 176.478 176.000 0.010 0.000 0.958 218 Q CA 1.130 56.943 55.803 0.016 0.000 0.841 218 Q CB 0.190 28.937 28.738 0.014 0.000 0.915 218 Q HN 0.342 nan 8.270 nan 0.000 0.455 219 R N -0.478 120.028 120.500 0.010 0.000 2.795 219 R HA 0.311 4.651 4.340 0.000 0.000 0.275 219 R C 0.586 176.886 176.300 0.001 0.000 0.981 219 R CA -0.377 55.726 56.100 0.005 0.000 0.917 219 R CB 1.249 31.557 30.300 0.013 0.000 1.202 219 R HN -0.024 nan 8.270 nan 0.000 0.469 220 L N 0.706 121.924 121.223 -0.008 0.000 2.046 220 L HA -0.223 4.117 4.340 0.000 0.000 0.208 220 L C 2.253 179.117 176.870 -0.010 0.000 1.077 220 L CA 2.125 56.953 54.840 -0.020 0.000 0.747 220 L CB -0.606 41.436 42.059 -0.027 0.000 0.896 220 L HN 0.856 nan 8.230 nan 0.000 0.432 221 S N 0.824 116.529 115.700 0.007 0.000 2.372 221 S HA -0.298 4.172 4.470 0.000 0.000 0.227 221 S C 1.698 176.309 174.600 0.019 0.000 1.044 221 S CA 1.805 60.019 58.200 0.023 0.000 1.050 221 S CB -0.680 62.547 63.200 0.045 0.000 0.901 221 S HN 0.715 nan 8.310 nan 0.000 0.447 222 E N 1.163 121.373 120.200 0.017 0.000 2.463 222 E HA -0.070 4.280 4.350 0.000 0.000 0.201 222 E C 1.440 178.040 176.600 -0.001 0.000 1.045 222 E CA 1.235 57.642 56.400 0.011 0.000 0.872 222 E CB -0.413 29.297 29.700 0.017 0.000 0.797 222 E HN 0.731 nan 8.360 nan 0.000 0.538 223 V N -1.911 117.999 119.914 -0.007 0.000 3.346 223 V HA 0.226 4.346 4.120 0.000 0.000 0.309 223 V C 0.203 176.298 176.094 0.001 0.000 1.457 223 V CA -0.645 61.646 62.300 -0.014 0.000 1.069 223 V CB -0.038 31.763 31.823 -0.037 0.000 0.944 223 V HN 0.007 nan 8.190 nan 0.000 0.449 224 E N 2.128 122.339 120.200 0.019 0.000 2.338 224 E HA 0.491 4.841 4.350 0.000 0.000 0.272 224 E C 0.379 177.050 176.600 0.119 0.000 1.029 224 E CA 0.422 56.867 56.400 0.074 0.000 0.872 224 E CB 2.066 31.801 29.700 0.058 0.000 1.015 224 E HN 0.553 nan 8.360 nan 0.000 0.417 225 G N 0.954 109.893 108.800 0.231 0.000 2.488 225 G HA2 0.451 4.411 3.960 0.000 0.000 0.318 225 G HA3 0.451 4.411 3.960 0.000 0.000 0.318 225 G C -0.755 174.177 174.900 0.052 0.000 1.188 225 G CA -0.480 44.708 45.100 0.147 0.000 0.944 225 G HN 0.301 nan 8.290 nan 0.000 0.495 226 V N 1.482 121.394 119.914 -0.003 0.000 2.409 226 V HA 0.285 4.405 4.120 0.000 0.000 0.290 226 V C -0.319 175.716 176.094 -0.098 0.000 1.017 226 V CA -0.762 61.509 62.300 -0.048 0.000 0.841 226 V CB 1.521 33.320 31.823 -0.041 0.000 1.003 226 V HN 0.724 nan 8.190 nan 0.000 0.426 227 N N 3.245 121.866 118.700 -0.132 0.000 2.210 227 N HA 0.129 4.869 4.740 0.000 0.000 0.203 227 N C 0.043 175.444 175.510 -0.182 0.000 1.175 227 N CA 0.087 53.036 53.050 -0.170 0.000 0.894 227 N CB 0.636 39.003 38.487 -0.201 0.000 1.041 227 N HN 0.892 nan 8.380 nan 0.000 0.506 228 N N -1.612 116.999 118.700 -0.148 0.000 2.934 228 N HA 0.283 5.023 4.740 0.000 0.000 0.253 228 N C 0.289 175.747 175.510 -0.087 0.000 1.466 228 N CA -0.671 52.297 53.050 -0.136 0.000 0.858 228 N CB 1.168 39.590 38.487 -0.108 0.000 1.459 228 N HN -0.365 nan 8.380 nan 0.000 0.532 229 R N -0.496 119.974 120.500 -0.051 0.000 2.148 229 R HA -0.012 4.328 4.340 0.000 0.000 0.227 229 R C 1.357 177.660 176.300 0.006 0.000 1.103 229 R CA 0.616 56.712 56.100 -0.006 0.000 0.983 229 R CB -0.900 29.422 30.300 0.036 0.000 0.874 229 R HN 0.585 nan 8.270 nan 0.000 0.451 230 L N 1.713 122.937 121.223 0.002 0.000 2.046 230 L HA -0.154 4.186 4.340 0.000 0.000 0.208 230 L C 2.151 179.023 176.870 0.003 0.000 1.077 230 L CA 1.763 56.608 54.840 0.008 0.000 0.747 230 L CB -0.391 41.672 42.059 0.006 0.000 0.896 230 L HN 0.099 nan 8.230 nan 0.000 0.432 231 Q N -1.161 118.632 119.800 -0.012 0.000 2.123 231 Q HA -0.171 4.169 4.340 0.000 0.000 0.199 231 Q C 2.166 178.165 176.000 -0.002 0.000 0.966 231 Q CA 1.530 57.328 55.803 -0.008 0.000 0.845 231 Q CB -0.299 28.421 28.738 -0.030 0.000 0.907 231 Q HN 0.503 nan 8.270 nan 0.000 0.439 232 L N 0.148 121.366 121.223 -0.009 0.000 2.017 232 L HA -0.146 4.194 4.340 0.000 0.000 0.208 232 L C 2.287 179.166 176.870 0.016 0.000 1.073 232 L CA 1.918 56.758 54.840 -0.001 0.000 0.745 232 L CB -0.905 41.157 42.059 0.005 0.000 0.894 232 L HN 0.022 nan 8.230 nan 0.000 0.432 233 S N -0.644 115.070 115.700 0.023 0.000 2.359 233 S HA -0.197 4.273 4.470 0.000 0.000 0.224 233 S C 2.151 176.771 174.600 0.034 0.000 1.035 233 S CA 1.401 59.620 58.200 0.032 0.000 1.018 233 S CB -0.226 62.992 63.200 0.031 0.000 0.876 233 S HN 0.537 nan 8.310 nan 0.000 0.448 234 R N 0.330 120.848 120.500 0.029 0.000 2.081 234 R HA 0.038 4.378 4.340 0.000 0.000 0.235 234 R C 2.354 178.679 176.300 0.041 0.000 1.131 234 R CA 1.116 57.236 56.100 0.034 0.000 0.960 234 R CB -0.554 29.764 30.300 0.029 0.000 0.856 234 R HN 0.396 nan 8.270 nan 0.000 0.436 235 L N 1.002 122.245 121.223 0.034 0.000 2.141 235 L HA -0.181 4.159 4.340 0.000 0.000 0.209 235 L C 2.325 179.231 176.870 0.059 0.000 1.094 235 L CA 1.448 56.309 54.840 0.035 0.000 0.763 235 L CB -0.225 41.836 42.059 0.003 0.000 0.908 235 L HN 0.190 nan 8.230 nan 0.000 0.437 236 E N -0.045 120.188 120.200 0.055 0.000 2.047 236 E HA -0.229 4.121 4.350 0.000 0.000 0.191 236 E C 2.263 178.940 176.600 0.129 0.000 0.987 236 E CA 1.092 57.547 56.400 0.092 0.000 0.799 236 E CB 0.054 29.793 29.700 0.066 0.000 0.752 236 E HN 0.100 nan 8.360 nan 0.000 0.449 237 R N 0.184 120.735 120.500 0.086 0.000 2.083 237 R HA -0.081 4.259 4.340 0.000 0.000 0.237 237 R C 2.416 178.764 176.300 0.080 0.000 1.137 237 R CA 1.245 57.389 56.100 0.074 0.000 0.951 237 R CB -1.136 29.195 30.300 0.053 0.000 0.851 237 R HN 0.232 nan 8.270 nan 0.000 0.434 238 V N 0.392 120.357 119.914 0.084 0.000 2.287 238 V HA -0.284 3.836 4.120 0.000 0.000 0.248 238 V C 2.122 178.276 176.094 0.100 0.000 1.053 238 V CA 1.913 64.260 62.300 0.077 0.000 1.027 238 V CB -0.729 31.138 31.823 0.073 0.000 0.646 238 V HN 0.240 nan 8.190 nan 0.000 0.447 239 Y N 0.853 121.158 120.300 0.009 0.000 2.128 239 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 239 Y C 2.724 178.646 175.900 0.036 0.000 1.154 239 Y CA 1.906 60.014 58.100 0.012 0.000 1.149 239 Y CB -0.272 38.184 38.460 -0.006 0.000 0.976 239 Y HN 0.225 nan 8.280 nan 0.000 0.505 240 Q N -0.505 119.311 119.800 0.025 0.000 2.084 240 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 240 Q C 2.588 178.576 176.000 -0.021 0.000 0.978 240 Q CA 1.552 57.338 55.803 -0.029 0.000 0.844 240 Q CB -0.735 28.035 28.738 0.053 0.000 0.898 240 Q HN 0.420 nan 8.270 nan 0.000 0.426 241 S N 0.896 116.597 115.700 0.003 0.000 2.370 241 S HA -0.171 4.299 4.470 0.000 0.000 0.226 241 S C 1.780 176.361 174.600 -0.031 0.000 1.033 241 S CA 1.295 59.498 58.200 0.005 0.000 1.011 241 S CB -0.012 63.197 63.200 0.015 0.000 0.852 241 S HN 0.399 nan 8.310 nan 0.000 0.457 242 E N 0.213 120.370 120.200 -0.072 0.000 2.106 242 E HA -0.130 4.220 4.350 0.000 0.000 0.192 242 E C 2.439 178.968 176.600 -0.118 0.000 0.984 242 E CA 0.827 57.174 56.400 -0.088 0.000 0.806 242 E CB -0.045 29.599 29.700 -0.093 0.000 0.750 242 E HN 0.387 nan 8.360 nan 0.000 0.458 243 Q N 0.164 119.849 119.800 -0.192 0.000 2.046 243 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 243 Q C 2.253 178.233 176.000 -0.033 0.000 0.975 243 Q CA 1.360 57.081 55.803 -0.136 0.000 0.836 243 Q CB -0.433 28.195 28.738 -0.183 0.000 0.896 243 Q HN 0.252 nan 8.270 nan 0.000 0.428 244 A N 1.440 124.265 122.820 0.010 0.000 1.940 244 A HA -0.208 4.112 4.320 0.000 0.000 0.219 244 A C 2.000 179.529 177.584 -0.091 0.000 1.176 244 A CA 1.472 53.489 52.037 -0.034 0.000 0.631 244 A CB -0.359 18.666 19.000 0.041 0.000 0.814 244 A HN 0.352 nan 8.150 nan 0.000 0.446 245 E N -0.170 119.994 120.200 -0.060 0.000 2.072 245 E HA -0.165 4.185 4.350 0.000 0.000 0.191 245 E C 2.023 178.587 176.600 -0.060 0.000 0.985 245 E CA 1.134 57.500 56.400 -0.058 0.000 0.801 245 E CB -0.192 29.484 29.700 -0.040 0.000 0.750 245 E HN 0.597 nan 8.360 nan 0.000 0.452 246 K N 0.703 121.072 120.400 -0.052 0.000 2.057 246 K HA -0.096 4.224 4.320 0.000 0.000 0.207 246 K C 2.338 178.910 176.600 -0.047 0.000 1.049 246 K CA 0.804 57.070 56.287 -0.036 0.000 0.931 246 K CB -0.145 32.341 32.500 -0.022 0.000 0.714 246 K HN 0.091 nan 8.250 nan 0.000 0.440 247 L N 0.837 122.010 121.223 -0.084 0.000 2.046 247 L HA -0.215 4.125 4.340 0.000 0.000 0.208 247 L C 2.382 179.137 176.870 -0.191 0.000 1.077 247 L CA 1.080 55.827 54.840 -0.154 0.000 0.747 247 L CB -0.344 41.569 42.059 -0.244 0.000 0.896 247 L HN 0.185 nan 8.230 nan 0.000 0.432 248 L N -0.721 120.401 121.223 -0.169 0.000 2.056 248 L HA -0.229 4.111 4.340 0.000 0.000 0.207 248 L C 2.402 179.214 176.870 -0.097 0.000 1.078 248 L CA 1.155 55.907 54.840 -0.146 0.000 0.749 248 L CB -0.295 41.691 42.059 -0.123 0.000 0.901 248 L HN 0.232 nan 8.230 nan 0.000 0.433 249 L N -0.710 120.472 121.223 -0.069 0.000 2.275 249 L HA -0.128 4.212 4.340 0.000 0.000 0.215 249 L C 2.346 179.200 176.870 -0.027 0.000 1.119 249 L CA 0.721 55.536 54.840 -0.042 0.000 0.790 249 L CB -0.483 41.559 42.059 -0.029 0.000 0.919 249 L HN 0.225 nan 8.230 nan 0.000 0.443 250 A N -0.802 122.000 122.820 -0.029 0.000 2.251 250 A HA 0.374 4.694 4.320 0.000 0.000 0.209 250 A C 1.630 179.221 177.584 0.011 0.000 1.187 250 A CA 0.680 52.729 52.037 0.020 0.000 0.823 250 A CB -0.137 18.916 19.000 0.088 0.000 0.846 250 A HN 0.471 nan 8.150 nan 0.000 0.486 251 G N -1.786 106.980 108.800 -0.057 0.000 2.163 251 G HA2 -0.155 3.805 3.960 0.000 0.000 0.213 251 G HA3 -0.155 3.805 3.960 0.000 0.000 0.213 251 G C 0.025 174.842 174.900 -0.138 0.000 0.991 251 G CA -0.039 45.024 45.100 -0.062 0.000 0.653 251 G HN 0.717 nan 8.290 nan 0.000 0.518 252 V N 1.535 121.298 119.914 -0.251 0.000 2.432 252 V HA 0.667 4.787 4.120 0.000 0.000 0.275 252 V C 0.592 176.547 176.094 -0.232 0.000 1.043 252 V CA -0.354 61.757 62.300 -0.316 0.000 0.925 252 V CB 1.506 33.031 31.823 -0.498 0.000 0.985 252 V HN 0.386 nan 8.190 nan 0.000 0.466 253 M N 7.342 126.834 119.600 -0.181 0.000 2.077 253 M HA 0.446 4.926 4.480 0.000 0.000 0.348 253 M C -0.954 175.241 176.300 -0.175 0.000 1.252 253 M CA 0.121 55.331 55.300 -0.149 0.000 1.096 253 M CB 0.147 32.687 32.600 -0.100 0.000 1.568 253 M HN 0.469 nan 8.290 nan 0.000 0.456 254 L N 5.172 126.279 121.223 -0.193 0.000 2.287 254 L HA 0.458 4.798 4.340 0.000 0.000 0.287 254 L C 1.073 177.876 176.870 -0.113 0.000 1.022 254 L CA -0.937 53.781 54.840 -0.203 0.000 0.814 254 L CB 1.159 43.035 42.059 -0.305 0.000 1.217 254 L HN 0.667 nan 8.230 nan 0.000 0.420 255 R N 1.081 121.536 120.500 -0.076 0.000 2.091 255 R HA -0.109 4.231 4.340 0.000 0.000 0.238 255 R C 0.146 176.429 176.300 -0.029 0.000 1.136 255 R CA 1.332 57.405 56.100 -0.045 0.000 0.959 255 R CB -0.149 30.132 30.300 -0.032 0.000 0.856 255 R HN 0.621 nan 8.270 nan 0.000 0.437 256 D N -2.285 118.106 120.400 -0.015 0.000 2.479 256 D HA 0.206 4.846 4.640 0.000 0.000 0.246 256 D C -2.270 174.044 176.300 0.024 0.000 1.336 256 D CA -2.125 51.878 54.000 0.005 0.000 0.967 256 D CB 1.740 42.553 40.800 0.021 0.000 1.275 256 D HN -0.190 nan 8.370 nan 0.000 0.577 257 P HA -0.014 nan 4.420 nan 0.000 0.220 257 P C 0.926 178.271 177.300 0.075 0.000 1.148 257 P CA 0.788 63.902 63.100 0.023 0.000 0.803 257 P CB 0.331 32.025 31.700 -0.011 0.000 0.782 258 A N -0.642 122.211 122.820 0.056 0.000 2.167 258 A HA 0.003 4.323 4.320 0.000 0.000 0.214 258 A C 1.453 179.080 177.584 0.073 0.000 1.151 258 A CA 0.612 52.684 52.037 0.058 0.000 0.735 258 A CB -0.523 18.500 19.000 0.039 0.000 0.802 258 A HN 0.095 nan 8.150 nan 0.000 0.467 259 R N -1.112 119.444 120.500 0.094 0.000 3.026 259 R HA 0.394 4.734 4.340 0.000 0.000 0.317 259 R C -1.455 174.945 176.300 0.166 0.000 1.278 259 R CA -0.132 56.026 56.100 0.097 0.000 1.407 259 R CB 0.243 30.587 30.300 0.072 0.000 1.368 259 R HN 0.368 nan 8.270 nan 0.000 0.612 260 F N 0.036 119.985 119.950 -0.001 0.000 2.591 260 F HA 0.422 4.949 4.527 0.000 0.000 0.309 260 F C -1.725 174.078 175.800 0.004 0.000 1.098 260 F CA -0.912 57.084 58.000 -0.006 0.000 0.937 260 F CB 2.182 41.169 39.000 -0.021 0.000 1.250 260 F HN -0.001 nan 8.300 nan 0.000 0.447 261 D N 4.873 124.710 120.400 -0.938 0.000 2.788 261 D HA 0.438 5.078 4.640 0.000 0.000 0.247 261 D C -1.815 173.972 176.300 -0.856 0.000 1.236 261 D CA -0.208 53.405 54.000 -0.644 0.000 0.898 261 D CB 2.311 42.945 40.800 -0.276 0.000 1.401 261 D HN 0.502 nan 8.370 nan 0.000 0.549 262 L N 2.753 123.655 121.223 -0.536 0.000 2.316 262 L HA 0.482 4.822 4.340 0.000 0.000 0.280 262 L C -0.703 176.145 176.870 -0.037 0.000 1.006 262 L CA -0.368 54.316 54.840 -0.260 0.000 0.836 262 L CB 0.734 42.788 42.059 -0.009 0.000 1.221 262 L HN 0.372 nan 8.230 nan 0.000 0.418 263 R N 4.776 125.261 120.500 -0.026 0.000 3.463 263 R HA 0.685 5.026 4.340 0.000 0.000 0.303 263 R C 0.095 176.421 176.300 0.044 0.000 1.370 263 R CA 0.022 56.144 56.100 0.037 0.000 1.524 263 R CB 0.589 30.894 30.300 0.008 0.000 1.389 263 R HN 0.921 nan 8.270 nan 0.000 0.640 264 G N -0.040 108.804 108.800 0.074 0.000 2.534 264 G HA2 -0.052 3.908 3.960 0.000 0.000 0.142 264 G HA3 -0.052 3.908 3.960 0.000 0.000 0.142 264 G C -1.145 173.802 174.900 0.079 0.000 1.178 264 G CA -0.597 44.540 45.100 0.062 0.000 1.037 264 G HN 0.094 nan 8.290 nan 0.000 0.474 265 T N 0.643 115.234 114.554 0.062 0.000 2.863 265 T HA 0.651 5.001 4.350 0.000 0.000 0.285 265 T C -1.277 173.467 174.700 0.073 0.000 1.009 265 T CA -0.201 61.940 62.100 0.067 0.000 0.989 265 T CB 1.852 70.748 68.868 0.046 0.000 1.004 265 T HN 1.117 nan 8.240 nan 0.000 0.455 266 L N 2.681 123.961 121.223 0.095 0.000 2.406 266 L HA 0.669 5.009 4.340 0.000 0.000 0.272 266 L C -0.700 176.233 176.870 0.105 0.000 0.980 266 L CA -0.050 54.858 54.840 0.114 0.000 0.831 266 L CB 1.925 44.087 42.059 0.173 0.000 1.253 266 L HN 0.620 nan 8.230 nan 0.000 0.406 267 T N 3.807 118.393 114.554 0.053 0.000 2.794 267 T HA 0.694 5.044 4.350 0.000 0.000 0.280 267 T C -0.907 173.794 174.700 0.000 0.000 0.987 267 T CA -0.247 61.833 62.100 -0.034 0.000 0.993 267 T CB 0.773 69.608 68.868 -0.055 0.000 0.939 267 T HN 0.827 nan 8.240 nan 0.000 0.449 268 H N -0.266 118.792 119.070 -0.020 0.000 2.928 268 H HA 0.818 5.374 4.556 0.000 0.000 0.371 268 H C 0.238 175.543 175.328 -0.038 0.000 1.186 268 H CA -1.178 54.851 56.048 -0.031 0.000 1.134 268 H CB 0.906 30.657 29.762 -0.018 0.000 1.824 268 H HN 0.717 nan 8.280 nan 0.000 0.554 269 G N 0.266 109.122 108.800 0.092 0.000 2.736 269 G HA2 0.388 4.348 3.960 0.000 0.000 0.229 269 G HA3 0.388 4.348 3.960 0.000 0.000 0.229 269 G C -0.465 174.648 174.900 0.354 0.000 1.380 269 G CA -1.187 43.970 45.100 0.095 0.000 1.040 269 G HN 0.491 nan 8.290 nan 0.000 0.568 270 R N 0.368 121.189 120.500 0.536 0.000 2.459 270 R HA 0.272 4.612 4.340 0.000 0.000 0.281 270 R C -0.522 175.863 176.300 0.142 0.000 1.050 270 R CA -0.425 55.813 56.100 0.230 0.000 1.055 270 R CB 0.403 30.741 30.300 0.063 0.000 1.045 270 R HN 0.625 nan 8.270 nan 0.000 0.495 271 D N -0.098 120.338 120.400 0.060 0.000 2.751 271 D HA -0.148 4.492 4.640 0.000 0.000 0.233 271 D C -0.463 175.845 176.300 0.013 0.000 1.149 271 D CA 0.668 54.680 54.000 0.019 0.000 0.682 271 D CB -1.024 39.783 40.800 0.012 0.000 1.068 271 D HN 0.126 nan 8.370 nan 0.000 0.429 272 V N 0.504 120.419 119.914 0.002 0.000 2.583 272 V HA 0.166 4.286 4.120 0.000 0.000 0.287 272 V C 0.720 176.777 176.094 -0.062 0.000 1.051 272 V CA 0.119 62.408 62.300 -0.019 0.000 1.010 272 V CB 1.809 33.619 31.823 -0.022 0.000 0.988 272 V HN 0.117 nan 8.190 nan 0.000 0.478 273 E N 4.810 124.978 120.200 -0.052 0.000 2.191 273 E HA 0.567 4.917 4.350 0.000 0.000 0.263 273 E C -1.415 175.145 176.600 -0.066 0.000 0.881 273 E CA -0.592 55.767 56.400 -0.068 0.000 0.757 273 E CB 1.442 31.111 29.700 -0.052 0.000 1.147 273 E HN 0.624 nan 8.360 nan 0.000 0.414 274 I N 3.865 124.383 120.570 -0.087 0.000 2.389 274 I HA 0.249 4.419 4.170 0.000 0.000 0.288 274 I C 0.209 176.296 176.117 -0.049 0.000 0.999 274 I CA -0.850 60.414 61.300 -0.060 0.000 1.129 274 I CB 1.490 39.450 38.000 -0.067 0.000 1.288 274 I HN 0.549 nan 8.210 nan 0.000 0.444 275 D N 3.482 123.860 120.400 -0.037 0.000 2.398 275 D HA 0.150 4.790 4.640 0.000 0.000 0.264 275 D C 0.213 176.512 176.300 -0.002 0.000 1.263 275 D CA 0.077 54.056 54.000 -0.036 0.000 1.037 275 D CB 1.099 41.861 40.800 -0.063 0.000 1.101 275 D HN 0.571 nan 8.370 nan 0.000 0.551 276 T N -0.557 113.994 114.554 -0.004 0.000 2.900 276 T HA 0.073 4.423 4.350 0.000 0.000 0.307 276 T C 0.446 175.167 174.700 0.035 0.000 1.065 276 T CA -0.480 61.636 62.100 0.027 0.000 1.105 276 T CB 0.207 69.088 68.868 0.023 0.000 0.979 276 T HN 0.448 nan 8.240 nan 0.000 0.544 277 N N -0.243 118.496 118.700 0.065 0.000 2.725 277 N HA -0.130 4.610 4.740 0.000 0.000 0.251 277 N C -0.783 174.755 175.510 0.047 0.000 1.031 277 N CA 0.419 53.505 53.050 0.061 0.000 0.720 277 N CB -1.525 37.007 38.487 0.075 0.000 0.930 277 N HN 0.592 nan 8.380 nan 0.000 0.543 278 V N 1.146 121.101 119.914 0.069 0.000 2.547 278 V HA 0.552 4.672 4.120 0.000 0.000 0.299 278 V C 0.786 176.850 176.094 -0.049 0.000 1.040 278 V CA -0.547 61.783 62.300 0.051 0.000 0.913 278 V CB 2.182 34.087 31.823 0.138 0.000 0.992 278 V HN 0.127 nan 8.190 nan 0.000 0.449 279 I N 5.229 125.759 120.570 -0.067 0.000 2.465 279 I HA 0.516 4.686 4.170 0.000 0.000 0.291 279 I C -0.938 175.117 176.117 -0.104 0.000 1.014 279 I CA -0.400 60.813 61.300 -0.145 0.000 1.093 279 I CB 2.040 39.991 38.000 -0.082 0.000 1.267 279 I HN 0.411 nan 8.210 nan 0.000 0.431 280 I N 6.056 126.532 120.570 -0.157 0.000 2.418 280 I HA 0.315 4.485 4.170 0.000 0.000 0.287 280 I C -0.346 175.742 176.117 -0.047 0.000 1.008 280 I CA -0.118 61.148 61.300 -0.056 0.000 1.104 280 I CB 1.432 39.438 38.000 0.010 0.000 1.264 280 I HN 0.540 nan 8.210 nan 0.000 0.438 281 E N 3.962 124.152 120.200 -0.017 0.000 2.263 281 E HA 0.709 5.059 4.350 0.000 0.000 0.264 281 E C 0.361 176.965 176.600 0.006 0.000 0.923 281 E CA -0.636 55.759 56.400 -0.007 0.000 0.802 281 E CB 1.883 31.578 29.700 -0.009 0.000 1.228 281 E HN 0.749 nan 8.360 nan 0.000 0.417 282 G N 2.419 111.225 108.800 0.009 0.000 2.575 282 G HA2 -0.284 3.676 3.960 0.000 0.000 0.267 282 G HA3 -0.284 3.676 3.960 0.000 0.000 0.267 282 G C -0.478 174.433 174.900 0.019 0.000 1.264 282 G CA -0.489 44.617 45.100 0.011 0.000 0.935 282 G HN 0.617 nan 8.290 nan 0.000 0.568 283 N N 0.460 119.169 118.700 0.015 0.000 2.420 283 N HA 0.428 5.168 4.740 0.000 0.000 0.249 283 N C -0.365 175.156 175.510 0.018 0.000 1.033 283 N CA -0.116 52.945 53.050 0.018 0.000 0.944 283 N CB 1.799 40.292 38.487 0.011 0.000 1.113 283 N HN 0.473 nan 8.380 nan 0.000 0.502 284 V N 1.837 121.769 119.914 0.029 0.000 2.628 284 V HA 0.448 4.568 4.120 0.000 0.000 0.306 284 V C 0.249 176.360 176.094 0.028 0.000 1.045 284 V CA -0.471 61.846 62.300 0.028 0.000 0.905 284 V CB 2.118 33.965 31.823 0.041 0.000 0.997 284 V HN 0.523 nan 8.190 nan 0.000 0.436 285 T N 5.909 120.471 114.554 0.014 0.000 2.812 285 T HA 0.668 5.018 4.350 0.000 0.000 0.282 285 T C -0.673 174.026 174.700 -0.002 0.000 0.990 285 T CA -0.320 61.781 62.100 0.001 0.000 0.960 285 T CB 0.875 69.732 68.868 -0.018 0.000 0.948 285 T HN 0.370 nan 8.240 nan 0.000 0.438 286 L N 2.440 123.666 121.223 0.005 0.000 2.341 286 L HA 0.694 5.034 4.340 0.000 0.000 0.278 286 L C 1.117 177.958 176.870 -0.048 0.000 1.005 286 L CA -1.060 53.779 54.840 -0.002 0.000 0.818 286 L CB 1.684 43.764 42.059 0.034 0.000 1.259 286 L HN 0.755 nan 8.230 nan 0.000 0.418 287 G N 0.429 109.182 108.800 -0.079 0.000 2.489 287 G HA2 0.200 4.160 3.960 0.000 0.000 0.271 287 G HA3 0.200 4.160 3.960 0.000 0.000 0.271 287 G C -0.391 174.413 174.900 -0.159 0.000 1.427 287 G CA -0.380 44.610 45.100 -0.184 0.000 1.057 287 G HN 0.652 nan 8.290 nan 0.000 0.532 288 H N -1.290 117.790 119.070 0.017 0.000 2.629 288 H HA 0.398 4.954 4.556 0.000 0.000 0.357 288 H C 0.553 175.887 175.328 0.009 0.000 1.121 288 H CA -0.195 55.864 56.048 0.017 0.000 1.406 288 H CB 0.663 30.431 29.762 0.011 0.000 1.456 288 H HN 0.534 nan 8.280 nan 0.000 0.579 289 R N -0.396 120.190 120.500 0.144 0.000 3.741 289 R HA -0.169 4.171 4.340 0.000 0.000 0.292 289 R C -0.866 175.456 176.300 0.036 0.000 1.176 289 R CA 0.109 56.249 56.100 0.066 0.000 0.794 289 R CB -1.899 28.435 30.300 0.056 0.000 1.213 289 R HN 0.227 nan 8.270 nan 0.000 0.494 290 V N 0.936 120.867 119.914 0.029 0.000 2.614 290 V HA 0.421 4.541 4.120 0.000 0.000 0.291 290 V C 0.907 176.998 176.094 -0.005 0.000 1.049 290 V CA 0.773 63.079 62.300 0.009 0.000 1.038 290 V CB 1.251 33.077 31.823 0.005 0.000 0.980 290 V HN 0.311 nan 8.190 nan 0.000 0.481 291 K N 5.842 126.234 120.400 -0.014 0.000 2.358 291 K HA 0.731 5.051 4.320 0.000 0.000 0.260 291 K C -0.903 175.676 176.600 -0.035 0.000 0.956 291 K CA -0.460 55.812 56.287 -0.026 0.000 0.834 291 K CB 1.179 33.663 32.500 -0.028 0.000 1.102 291 K HN 0.664 nan 8.250 nan 0.000 0.431 292 I N 2.958 123.505 120.570 -0.038 0.000 2.339 292 I HA 0.425 4.595 4.170 0.000 0.000 0.290 292 I C 1.078 177.154 176.117 -0.069 0.000 0.994 292 I CA -1.151 60.122 61.300 -0.045 0.000 1.191 292 I CB 1.907 39.896 38.000 -0.018 0.000 1.343 292 I HN 0.798 nan 8.210 nan 0.000 0.458 293 G N 3.457 112.194 108.800 -0.106 0.000 2.616 293 G HA2 0.189 4.149 3.960 0.000 0.000 0.268 293 G HA3 0.189 4.149 3.960 0.000 0.000 0.268 293 G C 0.021 174.804 174.900 -0.194 0.000 1.213 293 G CA -0.216 44.791 45.100 -0.155 0.000 0.926 293 G HN 0.522 nan 8.290 nan 0.000 0.523 294 T N -1.272 113.128 114.554 -0.256 0.000 2.932 294 T HA 0.394 4.744 4.350 0.000 0.000 0.312 294 T C 1.704 176.114 174.700 -0.484 0.000 1.071 294 T CA 1.759 63.690 62.100 -0.283 0.000 1.128 294 T CB 0.085 68.803 68.868 -0.251 0.000 0.984 294 T HN 1.989 nan 8.240 nan 0.000 0.549 295 G N 2.471 111.130 108.800 -0.235 0.000 2.245 295 G HA2 -0.280 3.680 3.960 0.000 0.000 0.264 295 G HA3 -0.280 3.680 3.960 0.000 0.000 0.264 295 G C 0.699 175.596 174.900 -0.005 0.000 0.985 295 G CA 0.170 45.225 45.100 -0.075 0.000 0.625 295 G HN 1.000 nan 8.290 nan 0.000 0.536 296 C N 0.529 119.776 119.300 -0.087 0.000 2.679 296 C HA 0.480 4.940 4.460 0.000 0.000 0.417 296 C C 1.037 176.031 174.990 0.007 0.000 1.302 296 C CA 0.044 59.042 59.018 -0.034 0.000 1.973 296 C CB 0.772 28.478 27.740 -0.057 0.000 2.715 296 C HN 0.471 nan 8.230 nan 0.000 0.628 297 V N 4.953 124.877 119.914 0.018 0.000 2.409 297 V HA 0.430 4.550 4.120 0.000 0.000 0.290 297 V C -0.246 175.855 176.094 0.011 0.000 1.017 297 V CA -0.065 62.244 62.300 0.015 0.000 0.841 297 V CB 1.006 32.846 31.823 0.027 0.000 1.003 297 V HN 0.668 nan 8.190 nan 0.000 0.426 298 I N 4.898 125.472 120.570 0.007 0.000 2.389 298 I HA 0.550 4.720 4.170 0.000 0.000 0.288 298 I C -0.254 175.868 176.117 0.008 0.000 0.999 298 I CA -0.400 60.906 61.300 0.009 0.000 1.129 298 I CB 1.739 39.748 38.000 0.016 0.000 1.288 298 I HN 0.506 nan 8.210 nan 0.000 0.444 299 K N 5.862 126.266 120.400 0.007 0.000 2.397 299 K HA 0.385 4.705 4.320 0.000 0.000 0.253 299 K C -0.298 176.305 176.600 0.006 0.000 0.932 299 K CA -0.530 55.761 56.287 0.006 0.000 0.795 299 K CB 1.003 33.505 32.500 0.004 0.000 1.159 299 K HN 0.543 nan 8.250 nan 0.000 0.424 300 N N 1.907 120.611 118.700 0.007 0.000 2.698 300 N HA -0.159 4.581 4.740 0.000 0.000 0.258 300 N C -1.412 174.100 175.510 0.004 0.000 0.978 300 N CA 1.204 54.257 53.050 0.005 0.000 0.777 300 N CB -0.854 37.634 38.487 0.002 0.000 0.907 300 N HN 0.532 nan 8.380 nan 0.000 0.543 301 S N -1.003 114.700 115.700 0.006 0.000 2.671 301 S HA 0.723 5.193 4.470 0.000 0.000 0.299 301 S C 0.001 174.601 174.600 0.001 0.000 1.116 301 S CA -0.748 57.453 58.200 0.002 0.000 0.912 301 S CB 3.052 66.253 63.200 0.002 0.000 1.130 301 S HN 0.004 nan 8.310 nan 0.000 0.501 302 V N 2.599 122.511 119.914 -0.004 0.000 2.407 302 V HA 0.491 4.611 4.120 0.000 0.000 0.291 302 V C -1.130 174.957 176.094 -0.011 0.000 1.018 302 V CA -0.593 61.702 62.300 -0.009 0.000 0.842 302 V CB 1.216 33.032 31.823 -0.012 0.000 0.996 302 V HN 0.655 nan 8.190 nan 0.000 0.426 303 I N 4.065 124.628 120.570 -0.013 0.000 2.389 303 I HA 0.537 4.707 4.170 0.000 0.000 0.288 303 I C 0.962 177.066 176.117 -0.022 0.000 0.999 303 I CA -0.081 61.211 61.300 -0.014 0.000 1.129 303 I CB 1.316 39.310 38.000 -0.009 0.000 1.288 303 I HN 0.676 nan 8.210 nan 0.000 0.444 304 G N 4.771 113.559 108.800 -0.020 0.000 2.611 304 G HA2 0.195 4.155 3.960 0.000 0.000 0.273 304 G HA3 0.195 4.155 3.960 0.000 0.000 0.273 304 G C -0.308 174.580 174.900 -0.020 0.000 1.305 304 G CA -0.394 44.691 45.100 -0.024 0.000 1.010 304 G HN 0.552 nan 8.290 nan 0.000 0.509 305 D N 0.199 120.591 120.400 -0.012 0.000 2.414 305 D HA 0.174 4.814 4.640 0.000 0.000 0.242 305 D C 0.463 176.779 176.300 0.026 0.000 1.129 305 D CA 0.259 54.270 54.000 0.018 0.000 0.885 305 D CB 0.714 41.551 40.800 0.062 0.000 1.198 305 D HN 0.441 nan 8.370 nan 0.000 0.437 306 D N -0.633 119.788 120.400 0.035 0.000 3.059 306 D HA -0.195 4.445 4.640 0.000 0.000 0.220 306 D C -0.217 176.091 176.300 0.012 0.000 1.169 306 D CA 0.514 54.529 54.000 0.025 0.000 0.902 306 D CB -1.413 39.402 40.800 0.025 0.000 1.116 306 D HN 0.329 nan 8.370 nan 0.000 0.417 307 C N 0.969 120.273 119.300 0.006 0.000 2.657 307 C HA 0.279 4.739 4.460 0.000 0.000 0.404 307 C C 1.039 176.025 174.990 -0.006 0.000 1.291 307 C CA -0.074 58.944 59.018 -0.001 0.000 2.218 307 C CB 0.796 28.532 27.740 -0.007 0.000 2.687 307 C HN 0.135 nan 8.230 nan 0.000 0.634 308 E N 2.394 122.588 120.200 -0.011 0.000 2.235 308 E HA 0.362 4.712 4.350 0.000 0.000 0.252 308 E C -1.022 175.557 176.600 -0.035 0.000 0.886 308 E CA -0.306 56.082 56.400 -0.020 0.000 0.767 308 E CB 0.663 30.356 29.700 -0.012 0.000 1.205 308 E HN 0.506 nan 8.360 nan 0.000 0.421 309 I N 2.776 123.317 120.570 -0.047 0.000 2.297 309 I HA 0.222 4.392 4.170 0.000 0.000 0.291 309 I C 0.659 176.718 176.117 -0.097 0.000 1.033 309 I CA -0.311 60.948 61.300 -0.067 0.000 1.253 309 I CB 0.797 38.762 38.000 -0.058 0.000 1.396 309 I HN 0.304 nan 8.210 nan 0.000 0.476 310 S N 7.885 123.514 115.700 -0.118 0.000 2.614 310 S HA 0.307 4.777 4.470 0.000 0.000 0.265 310 S C -2.119 172.336 174.600 -0.241 0.000 1.303 310 S CA -0.735 57.368 58.200 -0.161 0.000 1.000 310 S CB 0.492 63.599 63.200 -0.155 0.000 0.935 310 S HN 0.439 nan 8.310 nan 0.000 0.551 311 P HA -0.018 nan 4.420 nan 0.000 0.267 311 P C -0.708 176.250 177.300 -0.570 0.000 1.195 311 P CA 0.412 63.174 63.100 -0.564 0.000 0.773 311 P CB -0.199 31.125 31.700 -0.627 0.000 0.837 312 Y N -1.776 118.387 120.300 -0.229 0.000 2.981 312 Y HA -0.230 4.320 4.550 0.000 0.000 0.204 312 Y C 0.254 176.081 175.900 -0.121 0.000 1.265 312 Y CA 0.170 58.171 58.100 -0.166 0.000 0.941 312 Y CB -2.482 35.860 38.460 -0.196 0.000 1.254 312 Y HN 0.208 nan 8.280 nan 0.000 0.469 313 T N 0.530 115.073 114.554 -0.019 0.000 2.829 313 T HA 0.656 5.006 4.350 0.000 0.000 0.280 313 T C -0.143 174.574 174.700 0.027 0.000 0.999 313 T CA -0.776 61.322 62.100 -0.003 0.000 0.983 313 T CB 2.037 70.868 68.868 -0.063 0.000 0.968 313 T HN 0.039 nan 8.240 nan 0.000 0.446 314 V N 3.862 123.804 119.914 0.047 0.000 2.417 314 V HA 0.591 4.711 4.120 0.000 0.000 0.291 314 V C -0.458 175.651 176.094 0.026 0.000 1.024 314 V CA -0.622 61.704 62.300 0.043 0.000 0.861 314 V CB 1.687 33.546 31.823 0.059 0.000 0.985 314 V HN 0.692 nan 8.190 nan 0.000 0.436 315 V N 4.560 124.484 119.914 0.016 0.000 2.577 315 V HA 0.568 4.689 4.120 0.000 0.000 0.303 315 V C -0.453 175.647 176.094 0.010 0.000 1.042 315 V CA -0.531 61.775 62.300 0.010 0.000 0.872 315 V CB 1.895 33.718 31.823 0.001 0.000 0.998 315 V HN 0.968 nan 8.190 nan 0.000 0.423 316 E N 3.374 123.580 120.200 0.010 0.000 2.263 316 E HA 0.313 4.663 4.350 0.000 0.000 0.268 316 E C -0.790 175.814 176.600 0.006 0.000 0.884 316 E CA -0.523 55.882 56.400 0.008 0.000 0.766 316 E CB 1.445 31.151 29.700 0.009 0.000 1.196 316 E HN 0.792 nan 8.360 nan 0.000 0.416 317 D N 1.698 122.100 120.400 0.003 0.000 2.686 317 D HA -0.219 4.421 4.640 0.000 0.000 0.235 317 D C -0.782 175.518 176.300 0.001 0.000 1.160 317 D CA 1.210 55.210 54.000 0.001 0.000 0.645 317 D CB -0.758 40.042 40.800 0.000 0.000 1.039 317 D HN 0.442 nan 8.370 nan 0.000 0.423 318 A N 0.674 123.494 122.820 -0.000 0.000 2.313 318 A HA 0.650 4.970 4.320 0.000 0.000 0.323 318 A C 0.180 177.761 177.584 -0.005 0.000 1.133 318 A CA -0.531 51.505 52.037 -0.002 0.000 0.847 318 A CB 1.577 20.575 19.000 -0.003 0.000 1.308 318 A HN 0.187 nan 8.150 nan 0.000 0.475 319 N N 0.741 119.437 118.700 -0.007 0.000 2.549 319 N HA 0.423 5.163 4.740 0.000 0.000 0.281 319 N C -2.089 173.414 175.510 -0.011 0.000 1.084 319 N CA -0.254 52.791 53.050 -0.009 0.000 0.862 319 N CB 1.173 39.655 38.487 -0.008 0.000 1.333 319 N HN 0.404 nan 8.380 nan 0.000 0.523 320 L N 2.394 123.610 121.223 -0.012 0.000 2.296 320 L HA 0.578 4.918 4.340 0.000 0.000 0.286 320 L C 0.889 177.753 176.870 -0.011 0.000 1.023 320 L CA -0.368 54.465 54.840 -0.013 0.000 0.812 320 L CB 1.360 43.410 42.059 -0.015 0.000 1.223 320 L HN 0.462 nan 8.230 nan 0.000 0.421 321 A N 2.644 125.459 122.820 -0.008 0.000 2.260 321 A HA 0.789 5.109 4.320 0.000 0.000 0.278 321 A C 0.404 177.986 177.584 -0.003 0.000 1.269 321 A CA 0.077 52.111 52.037 -0.005 0.000 0.824 321 A CB -0.035 18.963 19.000 -0.002 0.000 1.238 321 A HN 0.815 nan 8.150 nan 0.000 0.507 322 A N -1.927 120.893 122.820 0.001 0.000 2.445 322 A HA 0.528 4.848 4.320 0.000 0.000 0.242 322 A C 1.245 178.834 177.584 0.008 0.000 1.075 322 A CA 0.687 52.727 52.037 0.006 0.000 0.777 322 A CB -0.919 18.088 19.000 0.011 0.000 1.013 322 A HN 2.656 nan 8.150 nan 0.000 0.493 323 A N 0.398 123.225 122.820 0.011 0.000 2.832 323 A HA -0.171 4.149 4.320 0.000 0.000 0.280 323 A C 0.569 178.162 177.584 0.015 0.000 1.464 323 A CA 0.820 52.865 52.037 0.013 0.000 0.804 323 A CB -2.730 16.278 19.000 0.014 0.000 1.020 323 A HN 1.241 nan 8.150 nan 0.000 0.563 324 C N 0.355 119.661 119.300 0.010 0.000 2.459 324 C HA 0.768 5.228 4.460 0.000 0.000 0.374 324 C C 1.079 176.076 174.990 0.013 0.000 1.241 324 C CA 0.438 59.464 59.018 0.012 0.000 2.352 324 C CB 1.076 28.813 27.740 -0.004 0.000 2.490 324 C HN 1.155 nan 8.230 nan 0.000 0.583 325 T N 0.896 115.469 114.554 0.031 0.000 2.840 325 T HA 0.727 5.077 4.350 0.000 0.000 0.287 325 T C -0.868 173.797 174.700 -0.058 0.000 0.991 325 T CA -0.424 61.697 62.100 0.034 0.000 0.964 325 T CB 0.791 69.740 68.868 0.134 0.000 0.954 325 T HN 0.733 nan 8.240 nan 0.000 0.438 326 I N -0.212 120.299 120.570 -0.098 0.000 2.828 326 I HA 0.916 5.086 4.170 0.000 0.000 0.302 326 I C 0.325 176.351 176.117 -0.152 0.000 1.101 326 I CA -0.659 60.536 61.300 -0.175 0.000 1.031 326 I CB 1.818 39.742 38.000 -0.127 0.000 1.231 326 I HN 1.225 nan 8.210 nan 0.000 0.427 327 G N 3.749 112.440 108.800 -0.182 0.000 2.728 327 G HA2 -0.064 3.896 3.960 0.000 0.000 0.294 327 G HA3 -0.064 3.896 3.960 0.000 0.000 0.294 327 G C -3.131 171.672 174.900 -0.162 0.000 1.342 327 G CA -0.453 44.548 45.100 -0.166 0.000 0.866 327 G HN 0.706 nan 8.290 nan 0.000 0.534 328 P HA 0.523 nan 4.420 nan 0.000 0.276 328 P C 0.208 177.353 177.300 -0.259 0.000 1.261 328 P CA 0.118 63.006 63.100 -0.352 0.000 0.800 328 P CB 0.086 31.452 31.700 -0.556 0.000 1.066 329 F N -3.512 116.408 119.950 -0.049 0.000 3.074 329 F HA -0.183 4.344 4.527 0.000 0.000 0.287 329 F C 0.621 176.385 175.800 -0.060 0.000 0.932 329 F CA 0.707 58.687 58.000 -0.033 0.000 0.995 329 F CB -2.482 36.431 39.000 -0.146 0.000 0.966 329 F HN 0.412 nan 8.300 nan 0.000 0.721 330 A N 0.420 123.280 122.820 0.066 0.000 2.320 330 A HA 0.898 5.218 4.320 0.000 0.000 0.334 330 A C 0.198 177.821 177.584 0.065 0.000 1.147 330 A CA -0.735 51.323 52.037 0.035 0.000 0.820 330 A CB 1.533 20.505 19.000 -0.047 0.000 1.218 330 A HN 0.268 nan 8.150 nan 0.000 0.482 331 R N 2.450 122.990 120.500 0.068 0.000 2.468 331 R HA 0.401 4.741 4.340 0.000 0.000 0.302 331 R C -1.941 174.391 176.300 0.054 0.000 1.041 331 R CA -0.265 55.875 56.100 0.066 0.000 0.899 331 R CB 0.610 30.959 30.300 0.082 0.000 1.167 331 R HN 0.752 nan 8.270 nan 0.000 0.483 332 L N 5.234 126.478 121.223 0.035 0.000 2.282 332 L HA 0.552 4.892 4.340 0.000 0.000 0.288 332 L C 0.855 177.743 176.870 0.031 0.000 1.033 332 L CA -0.705 54.153 54.840 0.029 0.000 0.807 332 L CB 1.403 43.468 42.059 0.009 0.000 1.209 332 L HN 0.352 nan 8.230 nan 0.000 0.423 333 R N 2.727 123.252 120.500 0.040 0.000 2.700 333 R HA 0.470 4.810 4.340 0.000 0.000 0.253 333 R C -2.425 173.888 176.300 0.022 0.000 1.091 333 R CA -2.030 54.090 56.100 0.034 0.000 1.104 333 R CB 0.554 30.883 30.300 0.048 0.000 1.202 333 R HN 0.271 nan 8.270 nan 0.000 0.532 334 P HA -0.049 nan 4.420 nan 0.000 0.261 334 P C 0.428 177.732 177.300 0.007 0.000 1.183 334 P CA 1.212 64.316 63.100 0.007 0.000 0.761 334 P CB 0.272 31.973 31.700 0.002 0.000 0.785 335 G N 2.094 110.895 108.800 0.002 0.000 2.194 335 G HA2 -0.157 3.803 3.960 0.000 0.000 0.236 335 G HA3 -0.157 3.803 3.960 0.000 0.000 0.236 335 G C 0.378 175.277 174.900 -0.002 0.000 0.987 335 G CA -0.093 45.007 45.100 -0.001 0.000 0.635 335 G HN 0.831 nan 8.290 nan 0.000 0.520 336 A N 0.288 123.109 122.820 0.002 0.000 2.492 336 A HA 0.605 4.925 4.320 0.000 0.000 0.254 336 A C 0.297 177.877 177.584 -0.007 0.000 1.091 336 A CA 1.090 53.126 52.037 -0.001 0.000 0.768 336 A CB 0.386 19.388 19.000 0.004 0.000 1.028 336 A HN 0.695 nan 8.150 nan 0.000 0.498 337 E N 2.254 122.448 120.200 -0.010 0.000 2.263 337 E HA 0.544 4.894 4.350 0.000 0.000 0.268 337 E C -1.983 174.609 176.600 -0.013 0.000 0.884 337 E CA -0.574 55.819 56.400 -0.011 0.000 0.766 337 E CB 1.056 30.751 29.700 -0.009 0.000 1.196 337 E HN 0.522 nan 8.360 nan 0.000 0.416 338 L N 4.691 125.907 121.223 -0.013 0.000 2.341 338 L HA 0.450 4.790 4.340 0.000 0.000 0.278 338 L C -0.365 176.500 176.870 -0.008 0.000 1.005 338 L CA -0.374 54.458 54.840 -0.013 0.000 0.818 338 L CB 1.470 43.518 42.059 -0.018 0.000 1.259 338 L HN 0.550 nan 8.230 nan 0.000 0.418 339 L N 1.083 122.304 121.223 -0.004 0.000 2.454 339 L HA 0.360 4.700 4.340 0.000 0.000 0.256 339 L C 0.751 177.623 176.870 0.003 0.000 1.136 339 L CA -0.834 54.006 54.840 -0.001 0.000 0.804 339 L CB 0.679 42.738 42.059 0.001 0.000 1.181 339 L HN 0.632 nan 8.230 nan 0.000 0.469 340 E N 0.372 120.574 120.200 0.004 0.000 2.708 340 E HA -0.067 4.283 4.350 0.000 0.000 0.260 340 E C 0.940 177.547 176.600 0.012 0.000 0.937 340 E CA 0.951 57.356 56.400 0.007 0.000 0.953 340 E CB 0.156 29.861 29.700 0.008 0.000 0.915 340 E HN 0.771 nan 8.360 nan 0.000 0.487 341 G N 2.452 111.261 108.800 0.015 0.000 2.175 341 G HA2 -0.352 3.608 3.960 0.000 0.000 0.265 341 G HA3 -0.352 3.608 3.960 0.000 0.000 0.265 341 G C 0.378 175.298 174.900 0.034 0.000 0.979 341 G CA 0.278 45.391 45.100 0.022 0.000 0.663 341 G HN 0.885 nan 8.290 nan 0.000 0.533 342 A N -0.443 122.394 122.820 0.028 0.000 2.386 342 A HA 0.616 4.936 4.320 0.000 0.000 0.246 342 A C 0.158 177.786 177.584 0.073 0.000 1.089 342 A CA 1.011 53.071 52.037 0.037 0.000 0.790 342 A CB 0.413 19.419 19.000 0.009 0.000 1.042 342 A HN 1.816 nan 8.150 nan 0.000 0.497 343 H N -1.001 118.048 119.070 -0.035 0.000 2.877 343 H HA 0.574 5.130 4.556 0.000 0.000 0.347 343 H C -1.817 173.475 175.328 -0.060 0.000 1.042 343 H CA -0.515 55.505 56.048 -0.047 0.000 1.276 343 H CB 1.520 31.252 29.762 -0.050 0.000 1.681 343 H HN 0.418 nan 8.280 nan 0.000 0.521 344 V N 5.456 124.937 119.914 -0.722 0.000 2.448 344 V HA 0.560 4.680 4.120 0.000 0.000 0.295 344 V C 0.918 176.561 176.094 -0.751 0.000 1.025 344 V CA 0.131 62.101 62.300 -0.551 0.000 0.859 344 V CB 1.377 33.048 31.823 -0.253 0.000 0.988 344 V HN 1.023 nan 8.190 nan 0.000 0.431 345 G N 3.903 112.399 108.800 -0.506 0.000 2.531 345 G HA2 0.242 4.202 3.960 0.000 0.000 0.253 345 G HA3 0.242 4.202 3.960 0.000 0.000 0.253 345 G C -0.032 174.745 174.900 -0.205 0.000 1.439 345 G CA -0.791 44.136 45.100 -0.289 0.000 1.056 345 G HN 0.820 nan 8.290 nan 0.000 0.555 346 N N -1.532 117.046 118.700 -0.203 0.000 2.518 346 N HA 0.277 5.017 4.740 0.000 0.000 0.283 346 N C -0.931 174.367 175.510 -0.354 0.000 1.119 346 N CA -0.429 52.367 53.050 -0.423 0.000 0.983 346 N CB 0.975 39.016 38.487 -0.744 0.000 1.139 346 N HN 0.329 nan 8.380 nan 0.000 0.465 347 F N -1.818 118.231 119.950 0.165 0.000 3.071 347 F HA -0.175 4.352 4.527 0.000 0.000 0.295 347 F C -0.933 174.921 175.800 0.090 0.000 0.919 347 F CA -0.277 57.786 58.000 0.105 0.000 1.050 347 F CB -2.255 36.788 39.000 0.070 0.000 1.040 347 F HN 0.240 nan 8.300 nan 0.000 0.692 348 V N -0.015 119.996 119.914 0.161 0.000 2.555 348 V HA 0.581 4.701 4.120 0.000 0.000 0.302 348 V C 0.092 176.260 176.094 0.123 0.000 1.038 348 V CA -1.055 61.318 62.300 0.122 0.000 0.887 348 V CB 2.352 34.196 31.823 0.034 0.000 0.991 348 V HN 0.302 nan 8.190 nan 0.000 0.434 349 E N 4.654 124.959 120.200 0.175 0.000 2.222 349 E HA 0.702 5.052 4.350 0.000 0.000 0.267 349 E C -1.492 175.249 176.600 0.235 0.000 0.884 349 E CA -0.749 55.770 56.400 0.198 0.000 0.764 349 E CB 1.921 31.741 29.700 0.201 0.000 1.169 349 E HN 0.655 nan 8.360 nan 0.000 0.413 350 M N 3.787 123.480 119.600 0.154 0.000 2.327 350 M HA 0.368 4.848 4.480 0.000 0.000 0.298 350 M C -1.104 175.258 176.300 0.103 0.000 1.065 350 M CA -0.731 54.624 55.300 0.092 0.000 0.916 350 M CB 2.344 34.961 32.600 0.028 0.000 1.630 350 M HN 0.401 nan 8.290 nan 0.000 0.442 351 K N 3.105 123.555 120.400 0.084 0.000 2.553 351 K HA 0.351 4.671 4.320 0.000 0.000 0.250 351 K C -0.845 175.769 176.600 0.022 0.000 0.953 351 K CA -0.512 55.822 56.287 0.078 0.000 0.800 351 K CB 1.365 33.960 32.500 0.158 0.000 1.243 351 K HN 0.649 nan 8.250 nan 0.000 0.435 352 K N 0.930 121.337 120.400 0.011 0.000 3.177 352 K HA -0.235 4.085 4.320 0.000 0.000 0.266 352 K C -0.983 175.606 176.600 -0.018 0.000 0.937 352 K CA 1.004 57.288 56.287 -0.005 0.000 0.702 352 K CB -1.470 31.026 32.500 -0.006 0.000 1.365 352 K HN 0.616 nan 8.250 nan 0.000 0.466 353 A N 1.293 124.100 122.820 -0.022 0.000 2.414 353 A HA 0.702 5.022 4.320 0.000 0.000 0.306 353 A C -0.619 176.951 177.584 -0.025 0.000 1.054 353 A CA -0.846 51.171 52.037 -0.034 0.000 0.724 353 A CB 1.521 20.485 19.000 -0.059 0.000 1.267 353 A HN 0.370 nan 8.150 nan 0.000 0.418 354 R N 1.623 122.109 120.500 -0.023 0.000 2.494 354 R HA 0.671 5.011 4.340 0.000 0.000 0.305 354 R C -1.939 174.350 176.300 -0.019 0.000 0.959 354 R CA -0.533 55.557 56.100 -0.017 0.000 0.864 354 R CB 1.134 31.426 30.300 -0.012 0.000 1.159 354 R HN 0.553 nan 8.270 nan 0.000 0.446 355 L N 4.322 125.534 121.223 -0.017 0.000 2.287 355 L HA 0.559 4.899 4.340 0.000 0.000 0.287 355 L C 0.282 177.148 176.870 -0.008 0.000 1.022 355 L CA 0.067 54.898 54.840 -0.016 0.000 0.814 355 L CB 1.502 43.549 42.059 -0.020 0.000 1.217 355 L HN 0.885 nan 8.230 nan 0.000 0.420 356 G N 3.500 112.297 108.800 -0.004 0.000 2.683 356 G HA2 0.114 4.074 3.960 0.000 0.000 0.260 356 G HA3 0.114 4.074 3.960 0.000 0.000 0.260 356 G C -0.413 174.490 174.900 0.005 0.000 1.238 356 G CA -0.714 44.386 45.100 0.001 0.000 0.934 356 G HN 0.627 nan 8.290 nan 0.000 0.534 357 K N 0.077 120.481 120.400 0.007 0.000 2.472 357 K HA 0.243 4.563 4.320 0.000 0.000 0.280 357 K C 1.264 177.873 176.600 0.014 0.000 1.028 357 K CA 0.981 57.274 56.287 0.010 0.000 1.045 357 K CB 0.377 32.883 32.500 0.010 0.000 0.902 357 K HN 0.996 nan 8.250 nan 0.000 0.478 358 G N 2.286 111.096 108.800 0.018 0.000 2.180 358 G HA2 -0.300 3.660 3.960 0.000 0.000 0.263 358 G HA3 -0.300 3.660 3.960 0.000 0.000 0.263 358 G C 0.042 174.958 174.900 0.025 0.000 0.989 358 G CA 0.467 45.581 45.100 0.022 0.000 0.692 358 G HN 0.542 nan 8.290 nan 0.000 0.526 359 S N 0.090 115.804 115.700 0.023 0.000 2.601 359 S HA 0.718 5.188 4.470 0.000 0.000 0.271 359 S C 0.440 175.060 174.600 0.033 0.000 1.305 359 S CA 0.478 58.690 58.200 0.019 0.000 1.022 359 S CB 1.567 64.770 63.200 0.006 0.000 0.940 359 S HN 1.252 nan 8.310 nan 0.000 0.525 360 K N 0.016 120.432 120.400 0.027 0.000 2.427 360 K HA 0.817 5.137 4.320 0.000 0.000 0.252 360 K C -0.791 175.821 176.600 0.019 0.000 0.931 360 K CA -0.632 55.694 56.287 0.065 0.000 0.793 360 K CB 1.723 34.267 32.500 0.072 0.000 1.211 360 K HN 0.966 nan 8.250 nan 0.000 0.426 361 A N 1.340 124.168 122.820 0.013 0.000 2.763 361 A HA 0.606 4.926 4.320 0.000 0.000 0.325 361 A C 1.012 178.545 177.584 -0.085 0.000 1.209 361 A CA 0.134 52.150 52.037 -0.035 0.000 0.764 361 A CB 0.356 19.329 19.000 -0.044 0.000 1.120 361 A HN 1.351 nan 8.150 nan 0.000 0.463 362 G N 0.560 109.271 108.800 -0.149 0.000 2.683 362 G HA2 0.321 4.281 3.960 0.000 0.000 0.213 362 G HA3 0.321 4.281 3.960 0.000 0.000 0.213 362 G C 0.526 175.029 174.900 -0.661 0.000 1.142 362 G CA 0.462 45.296 45.100 -0.444 0.000 0.793 362 G HN 0.848 nan 8.290 nan 0.000 0.534 363 H N -1.880 117.238 119.070 0.080 0.000 3.112 363 H HA 0.214 4.770 4.556 0.000 0.000 0.347 363 H C -0.297 175.110 175.328 0.133 0.000 1.188 363 H CA -1.322 54.795 56.048 0.116 0.000 1.240 363 H CB 0.637 30.478 29.762 0.133 0.000 1.920 363 H HN -0.077 nan 8.280 nan 0.000 0.535 364 L N 0.990 122.415 121.223 0.336 0.000 3.954 364 L HA -0.213 4.127 4.340 0.000 0.000 0.462 364 L C -0.460 176.520 176.870 0.183 0.000 1.195 364 L CA 0.886 55.877 54.840 0.252 0.000 0.739 364 L CB -1.796 40.378 42.059 0.192 0.000 1.599 364 L HN 0.698 nan 8.230 nan 0.000 0.838 365 T N -1.141 113.518 114.554 0.176 0.000 2.893 365 T HA 0.594 4.944 4.350 0.000 0.000 0.291 365 T C -1.104 173.717 174.700 0.202 0.000 1.028 365 T CA -0.572 61.617 62.100 0.148 0.000 0.995 365 T CB 2.205 71.129 68.868 0.094 0.000 1.051 365 T HN 0.126 nan 8.240 nan 0.000 0.470 366 Y N 2.856 123.181 120.300 0.043 0.000 2.338 366 Y HA 0.658 5.208 4.550 0.000 0.000 0.333 366 Y C -1.901 174.016 175.900 0.028 0.000 0.968 366 Y CA -1.755 56.366 58.100 0.036 0.000 1.123 366 Y CB 0.676 39.159 38.460 0.038 0.000 1.165 366 Y HN 0.496 nan 8.280 nan 0.000 0.452 367 L N 6.861 127.824 121.223 -0.433 0.000 2.342 367 L HA 0.743 5.083 4.340 0.000 0.000 0.276 367 L C 0.213 176.734 176.870 -0.582 0.000 0.997 367 L CA -0.812 53.752 54.840 -0.460 0.000 0.838 367 L CB 1.704 43.656 42.059 -0.178 0.000 1.224 367 L HN 0.883 nan 8.230 nan 0.000 0.416 368 G N 0.520 108.912 108.800 -0.679 0.000 2.482 368 G HA2 0.374 4.334 3.960 0.000 0.000 0.317 368 G HA3 0.374 4.334 3.960 0.000 0.000 0.317 368 G C -0.452 174.355 174.900 -0.155 0.000 1.241 368 G CA -0.358 44.529 45.100 -0.356 0.000 0.967 368 G HN 0.689 nan 8.290 nan 0.000 0.482 369 D N -0.731 119.629 120.400 -0.067 0.000 2.755 369 D HA -0.132 4.508 4.640 0.000 0.000 0.227 369 D C 0.487 176.768 176.300 -0.032 0.000 1.211 369 D CA 1.521 55.502 54.000 -0.032 0.000 0.663 369 D CB -0.632 40.165 40.800 -0.005 0.000 0.983 369 D HN 0.802 nan 8.370 nan 0.000 0.407 370 A N 0.957 123.749 122.820 -0.047 0.000 2.435 370 A HA 0.611 4.931 4.320 0.000 0.000 0.304 370 A C -0.399 177.168 177.584 -0.027 0.000 1.064 370 A CA -0.646 51.368 52.037 -0.039 0.000 0.727 370 A CB 1.946 20.906 19.000 -0.066 0.000 1.284 370 A HN 0.099 nan 8.150 nan 0.000 0.415 371 E N 1.675 121.866 120.200 -0.016 0.000 2.149 371 E HA 0.437 4.787 4.350 0.000 0.000 0.255 371 E C -0.940 175.653 176.600 -0.011 0.000 0.888 371 E CA -0.278 56.115 56.400 -0.011 0.000 0.742 371 E CB 0.831 30.530 29.700 -0.003 0.000 1.164 371 E HN 0.539 nan 8.360 nan 0.000 0.422 372 I N 2.974 123.535 120.570 -0.015 0.000 2.336 372 I HA 0.366 4.536 4.170 0.000 0.000 0.292 372 I C 1.126 177.240 176.117 -0.006 0.000 0.991 372 I CA -0.462 60.831 61.300 -0.013 0.000 1.227 372 I CB 1.034 39.022 38.000 -0.021 0.000 1.366 372 I HN 0.510 nan 8.210 nan 0.000 0.466 373 G N 5.207 114.007 108.800 -0.001 0.000 2.516 373 G HA2 0.168 4.128 3.960 0.000 0.000 0.276 373 G HA3 0.168 4.128 3.960 0.000 0.000 0.276 373 G C -0.325 174.579 174.900 0.006 0.000 1.390 373 G CA -0.373 44.729 45.100 0.004 0.000 1.050 373 G HN 0.576 nan 8.290 nan 0.000 0.519 374 D N -0.051 120.356 120.400 0.010 0.000 2.304 374 D HA 0.159 4.799 4.640 0.000 0.000 0.247 374 D C 0.747 177.059 176.300 0.019 0.000 1.089 374 D CA -0.177 53.831 54.000 0.013 0.000 0.910 374 D CB 0.762 41.570 40.800 0.013 0.000 1.199 374 D HN 0.438 nan 8.370 nan 0.000 0.426 375 N N -0.110 118.602 118.700 0.022 0.000 2.725 375 N HA -0.163 4.577 4.740 0.000 0.000 0.249 375 N C -1.052 174.480 175.510 0.038 0.000 1.103 375 N CA 0.196 53.264 53.050 0.031 0.000 0.707 375 N CB -0.487 38.021 38.487 0.035 0.000 1.043 375 N HN 0.130 nan 8.380 nan 0.000 0.553 376 V N 1.208 121.135 119.914 0.022 0.000 2.539 376 V HA 0.304 4.424 4.120 0.000 0.000 0.292 376 V C 0.619 176.704 176.094 -0.016 0.000 1.045 376 V CA -0.633 61.672 62.300 0.010 0.000 0.945 376 V CB 1.859 33.679 31.823 -0.005 0.000 0.993 376 V HN 0.208 nan 8.190 nan 0.000 0.464 377 N N 4.414 123.074 118.700 -0.067 0.000 2.483 377 N HA 0.327 5.067 4.740 0.000 0.000 0.267 377 N C -1.245 174.084 175.510 -0.301 0.000 0.998 377 N CA -0.506 52.445 53.050 -0.164 0.000 0.918 377 N CB 1.276 39.655 38.487 -0.179 0.000 1.215 377 N HN 0.422 nan 8.380 nan 0.000 0.500 378 I N 2.758 123.219 120.570 -0.180 0.000 2.291 378 I HA 0.227 4.397 4.170 0.000 0.000 0.292 378 I C 1.484 177.521 176.117 -0.133 0.000 1.064 378 I CA -0.475 60.732 61.300 -0.156 0.000 1.269 378 I CB 0.134 38.089 38.000 -0.075 0.000 1.418 378 I HN 0.411 nan 8.210 nan 0.000 0.485 379 G N 4.779 113.458 108.800 -0.201 0.000 2.594 379 G HA2 0.349 4.309 3.960 0.000 0.000 0.243 379 G HA3 0.349 4.309 3.960 0.000 0.000 0.243 379 G C 0.371 175.299 174.900 0.047 0.000 1.229 379 G CA -0.378 44.670 45.100 -0.087 0.000 0.843 379 G HN 0.818 nan 8.290 nan 0.000 0.578 380 A N -0.145 122.755 122.820 0.134 0.000 2.587 380 A HA 0.488 4.808 4.320 0.000 0.000 0.235 380 A C 1.732 179.366 177.584 0.083 0.000 1.044 380 A CA 1.366 53.496 52.037 0.155 0.000 0.754 380 A CB -0.440 18.561 19.000 0.002 0.000 0.968 380 A HN 2.664 nan 8.150 nan 0.000 0.509 381 G N 2.048 110.909 108.800 0.103 0.000 2.179 381 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 381 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 381 G C 0.469 175.407 174.900 0.065 0.000 0.977 381 G CA 0.560 45.706 45.100 0.077 0.000 0.641 381 G HN 1.231 nan 8.290 nan 0.000 0.533 382 T N 0.758 115.345 114.554 0.055 0.000 2.930 382 T HA 0.547 4.897 4.350 0.000 0.000 0.306 382 T C 0.414 175.143 174.700 0.049 0.000 1.045 382 T CA 0.610 62.730 62.100 0.034 0.000 1.134 382 T CB 1.229 70.099 68.868 0.004 0.000 0.961 382 T HN 0.373 nan 8.240 nan 0.000 0.545 383 I N 2.309 122.905 120.570 0.044 0.000 2.619 383 I HA 0.304 4.474 4.170 0.000 0.000 0.292 383 I C 0.209 176.333 176.117 0.011 0.000 1.100 383 I CA -0.897 60.440 61.300 0.063 0.000 1.043 383 I CB 2.460 40.534 38.000 0.123 0.000 1.239 383 I HN 0.610 nan 8.210 nan 0.000 0.420 384 T N 1.315 115.829 114.554 -0.067 0.000 2.753 384 T HA 0.486 4.836 4.350 0.000 0.000 0.297 384 T C -0.066 174.630 174.700 -0.006 0.000 0.981 384 T CA -0.691 61.368 62.100 -0.068 0.000 0.956 384 T CB 0.581 69.359 68.868 -0.149 0.000 0.936 384 T HN 0.800 nan 8.240 nan 0.000 0.463 385 C N 5.694 125.028 119.300 0.056 0.000 2.218 385 C HA 0.485 4.945 4.460 0.000 0.000 0.353 385 C C 1.479 176.553 174.990 0.140 0.000 1.070 385 C CA -1.033 58.055 59.018 0.117 0.000 1.497 385 C CB -1.212 26.585 27.740 0.094 0.000 1.951 385 C HN 0.926 nan 8.230 nan 0.000 0.493 386 N N 0.639 119.446 118.700 0.177 0.000 2.322 386 N HA 0.035 4.775 4.740 0.000 0.000 0.194 386 N C -0.511 175.216 175.510 0.361 0.000 1.126 386 N CA 0.170 53.356 53.050 0.226 0.000 0.845 386 N CB 0.186 38.754 38.487 0.136 0.000 0.976 386 N HN 0.682 nan 8.380 nan 0.000 0.475 387 Y N 1.826 122.225 120.300 0.164 0.000 2.361 387 Y HA 0.280 4.830 4.550 0.000 0.000 0.337 387 Y C -0.407 175.584 175.900 0.151 0.000 0.965 387 Y CA -2.036 56.155 58.100 0.152 0.000 1.091 387 Y CB 1.486 40.011 38.460 0.108 0.000 1.182 387 Y HN -0.033 nan 8.280 nan 0.000 0.450 388 D N 1.863 122.156 120.400 -0.179 0.000 2.363 388 D HA 0.263 4.903 4.640 0.000 0.000 0.214 388 D C 1.439 177.448 176.300 -0.485 0.000 1.093 388 D CA 0.644 54.516 54.000 -0.214 0.000 0.837 388 D CB 0.375 41.200 40.800 0.041 0.000 0.948 388 D HN 0.857 nan 8.370 nan 0.000 0.507 389 G N -0.527 107.514 108.800 -1.264 0.000 2.259 389 G HA2 -0.162 3.798 3.960 0.000 0.000 0.217 389 G HA3 -0.162 3.798 3.960 0.000 0.000 0.217 389 G C 0.936 175.576 174.900 -0.433 0.000 1.001 389 G CA 0.119 44.696 45.100 -0.871 0.000 0.627 389 G HN 0.883 nan 8.290 nan 0.000 0.501 390 A N -0.660 122.009 122.820 -0.252 0.000 1.817 390 A HA 0.641 4.961 4.320 0.000 0.000 0.204 390 A C 0.483 178.195 177.584 0.213 0.000 1.741 390 A CA 1.342 53.426 52.037 0.078 0.000 1.196 390 A CB 0.483 19.504 19.000 0.034 0.000 1.211 390 A HN 0.459 nan 8.150 nan 0.000 0.450 391 N N 0.184 118.978 118.700 0.156 0.000 2.328 391 N HA 0.521 5.261 4.740 0.000 0.000 0.299 391 N C -1.219 174.333 175.510 0.071 0.000 1.179 391 N CA -0.521 52.551 53.050 0.036 0.000 0.793 391 N CB 1.365 39.738 38.487 -0.191 0.000 1.366 391 N HN 0.149 nan 8.380 nan 0.000 0.493 392 K N 0.845 121.162 120.400 -0.138 0.000 2.207 392 K HA 0.514 4.834 4.320 0.000 0.000 0.255 392 K C -1.082 175.279 176.600 -0.398 0.000 0.941 392 K CA -0.472 55.788 56.287 -0.045 0.000 0.825 392 K CB 1.396 33.889 32.500 -0.012 0.000 1.119 392 K HN 0.333 nan 8.250 nan 0.000 0.430 393 F N 0.984 120.984 119.950 0.083 0.000 2.556 393 F HA 0.391 4.918 4.527 0.000 0.000 0.327 393 F C 0.412 176.228 175.800 0.025 0.000 1.059 393 F CA -0.951 57.076 58.000 0.045 0.000 0.953 393 F CB 1.633 40.655 39.000 0.037 0.000 1.227 393 F HN 0.281 nan 8.300 nan 0.000 0.478 394 K N 0.555 121.071 120.400 0.192 0.000 2.143 394 K HA 0.518 4.838 4.320 0.000 0.000 0.272 394 K C -0.937 175.716 176.600 0.088 0.000 1.001 394 K CA -0.269 56.077 56.287 0.098 0.000 0.915 394 K CB 1.070 33.606 32.500 0.060 0.000 1.047 394 K HN 0.693 nan 8.250 nan 0.000 0.458 395 T N 4.207 118.787 114.554 0.043 0.000 2.824 395 T HA 0.477 4.827 4.350 0.000 0.000 0.280 395 T C -0.570 174.137 174.700 0.011 0.000 0.995 395 T CA -0.516 61.598 62.100 0.023 0.000 1.009 395 T CB 0.560 69.428 68.868 0.001 0.000 0.955 395 T HN 0.435 nan 8.240 nan 0.000 0.452 396 I N 3.564 124.141 120.570 0.012 0.000 2.418 396 I HA 0.480 4.649 4.170 0.000 0.000 0.287 396 I C -0.767 175.352 176.117 0.005 0.000 1.008 396 I CA -0.434 60.871 61.300 0.008 0.000 1.104 396 I CB 1.451 39.459 38.000 0.013 0.000 1.264 396 I HN 0.505 nan 8.210 nan 0.000 0.438 397 I N 5.487 126.058 120.570 0.001 0.000 2.418 397 I HA 0.485 4.655 4.170 0.000 0.000 0.287 397 I C 0.768 176.888 176.117 0.006 0.000 1.008 397 I CA -0.350 60.951 61.300 0.002 0.000 1.104 397 I CB 1.764 39.761 38.000 -0.005 0.000 1.264 397 I HN 0.617 nan 8.210 nan 0.000 0.438 398 G N 4.008 112.815 108.800 0.011 0.000 2.621 398 G HA2 0.186 4.146 3.960 0.000 0.000 0.271 398 G HA3 0.186 4.146 3.960 0.000 0.000 0.271 398 G C -0.376 174.535 174.900 0.017 0.000 1.236 398 G CA -0.487 44.622 45.100 0.014 0.000 0.958 398 G HN 0.522 nan 8.290 nan 0.000 0.512 399 D N 0.214 120.625 120.400 0.018 0.000 2.400 399 D HA 0.110 4.750 4.640 0.000 0.000 0.238 399 D C 0.397 176.716 176.300 0.032 0.000 1.157 399 D CA 0.397 54.410 54.000 0.022 0.000 0.889 399 D CB 0.506 41.318 40.800 0.019 0.000 1.199 399 D HN 0.422 nan 8.370 nan 0.000 0.436 400 D N -1.025 119.398 120.400 0.039 0.000 2.955 400 D HA -0.171 4.469 4.640 0.000 0.000 0.226 400 D C -0.177 176.171 176.300 0.081 0.000 1.178 400 D CA 0.455 54.490 54.000 0.057 0.000 0.808 400 D CB -1.434 39.395 40.800 0.048 0.000 1.099 400 D HN 0.067 nan 8.370 nan 0.000 0.421 401 V N 0.207 120.163 119.914 0.071 0.000 2.732 401 V HA 0.353 4.473 4.120 0.000 0.000 0.297 401 V C 0.313 176.489 176.094 0.137 0.000 1.060 401 V CA -0.387 61.968 62.300 0.091 0.000 1.038 401 V CB 1.287 33.141 31.823 0.051 0.000 1.003 401 V HN 0.120 nan 8.190 nan 0.000 0.481 402 F N 4.159 124.117 119.950 0.014 0.000 2.427 402 F HA 0.599 5.126 4.527 0.000 0.000 0.348 402 F C -0.307 175.505 175.800 0.020 0.000 1.125 402 F CA -0.560 57.452 58.000 0.019 0.000 0.989 402 F CB 1.435 40.445 39.000 0.018 0.000 1.165 402 F HN 0.227 nan 8.300 nan 0.000 0.442 403 V N 6.546 126.293 119.914 -0.280 0.000 2.333 403 V HA 0.447 4.567 4.120 0.000 0.000 0.274 403 V C 0.846 176.812 176.094 -0.214 0.000 1.028 403 V CA -0.597 61.618 62.300 -0.142 0.000 0.851 403 V CB 0.654 32.405 31.823 -0.119 0.000 1.000 403 V HN 0.921 nan 8.190 nan 0.000 0.456 404 G N 3.637 112.459 108.800 0.038 0.000 2.664 404 G HA2 0.267 4.227 3.960 0.000 0.000 0.242 404 G HA3 0.267 4.227 3.960 0.000 0.000 0.242 404 G C 0.311 175.231 174.900 0.032 0.000 1.225 404 G CA -0.341 44.825 45.100 0.110 0.000 0.849 404 G HN 0.700 nan 8.290 nan 0.000 0.581 405 S N -0.274 115.458 115.700 0.053 0.000 2.558 405 S HA 0.091 4.561 4.470 0.000 0.000 0.291 405 S C 0.723 175.341 174.600 0.030 0.000 1.306 405 S CA 0.780 59.000 58.200 0.034 0.000 1.056 405 S CB 0.541 63.763 63.200 0.037 0.000 0.836 405 S HN 0.836 nan 8.310 nan 0.000 0.504 406 D N 0.425 120.842 120.400 0.028 0.000 2.837 406 D HA -0.147 4.493 4.640 0.000 0.000 0.230 406 D C -0.364 175.951 176.300 0.025 0.000 1.152 406 D CA 1.028 55.045 54.000 0.028 0.000 0.736 406 D CB -1.337 39.477 40.800 0.022 0.000 1.084 406 D HN 0.537 nan 8.370 nan 0.000 0.429 407 T N 1.242 115.809 114.554 0.022 0.000 2.889 407 T HA 0.407 4.757 4.350 0.000 0.000 0.291 407 T C 0.112 174.823 174.700 0.019 0.000 0.995 407 T CA -0.619 61.492 62.100 0.019 0.000 1.092 407 T CB 1.313 70.189 68.868 0.013 0.000 0.954 407 T HN 0.073 nan 8.240 nan 0.000 0.506 408 Q N 2.816 122.627 119.800 0.018 0.000 2.333 408 Q HA 0.517 4.857 4.340 0.000 0.000 0.267 408 Q C -1.384 174.623 176.000 0.012 0.000 1.012 408 Q CA -0.833 54.983 55.803 0.021 0.000 0.824 408 Q CB 1.890 30.643 28.738 0.024 0.000 1.290 408 Q HN 0.465 nan 8.270 nan 0.000 0.449 409 L N 2.048 123.276 121.223 0.010 0.000 2.294 409 L HA 0.356 4.696 4.340 0.000 0.000 0.283 409 L C -0.424 176.451 176.870 0.009 0.000 1.015 409 L CA -0.810 54.032 54.840 0.003 0.000 0.831 409 L CB 1.786 43.842 42.059 -0.005 0.000 1.217 409 L HN 0.386 nan 8.230 nan 0.000 0.420 410 V N 3.676 123.590 119.914 -0.000 0.000 2.356 410 V HA 0.402 4.522 4.120 0.000 0.000 0.258 410 V C 0.890 176.971 176.094 -0.022 0.000 1.065 410 V CA -0.535 61.761 62.300 -0.006 0.000 0.935 410 V CB 0.713 32.520 31.823 -0.027 0.000 1.061 410 V HN 0.835 nan 8.190 nan 0.000 0.484 411 A N 8.837 131.668 122.820 0.018 0.000 2.445 411 A HA 0.575 4.895 4.320 0.000 0.000 0.242 411 A C -2.068 175.451 177.584 -0.109 0.000 1.075 411 A CA -0.899 51.163 52.037 0.042 0.000 0.777 411 A CB -0.056 19.045 19.000 0.168 0.000 1.013 411 A HN 0.636 nan 8.150 nan 0.000 0.493 412 P HA 0.502 nan 4.420 nan 0.000 0.285 412 P C -0.877 176.410 177.300 -0.021 0.000 1.259 412 P CA -0.215 62.897 63.100 0.020 0.000 0.794 412 P CB 1.499 33.251 31.700 0.086 0.000 0.940 413 V N 2.561 122.480 119.914 0.008 0.000 3.120 413 V HA 0.509 4.629 4.120 0.000 0.000 0.303 413 V C -1.031 175.068 176.094 0.008 0.000 1.238 413 V CA -0.279 62.020 62.300 -0.003 0.000 1.008 413 V CB 2.823 34.641 31.823 -0.008 0.000 1.064 413 V HN 0.580 nan 8.190 nan 0.000 0.434 414 T N 3.805 118.362 114.554 0.006 0.000 2.841 414 T HA 0.594 4.944 4.350 0.000 0.000 0.285 414 T C -1.037 173.668 174.700 0.008 0.000 0.991 414 T CA -0.343 61.762 62.100 0.009 0.000 0.966 414 T CB 1.559 70.433 68.868 0.010 0.000 0.962 414 T HN 0.470 nan 8.240 nan 0.000 0.438 415 V N 3.095 123.015 119.914 0.010 0.000 2.326 415 V HA 0.559 4.679 4.120 0.000 0.000 0.281 415 V C 1.052 177.155 176.094 0.015 0.000 1.015 415 V CA -0.936 61.372 62.300 0.013 0.000 0.823 415 V CB 1.172 33.003 31.823 0.014 0.000 1.009 415 V HN 1.058 nan 8.190 nan 0.000 0.436 416 G N 4.007 112.816 108.800 0.016 0.000 2.559 416 G HA2 0.156 4.116 3.960 0.000 0.000 0.235 416 G HA3 0.156 4.116 3.960 0.000 0.000 0.235 416 G C 0.224 175.136 174.900 0.021 0.000 1.266 416 G CA -0.301 44.808 45.100 0.016 0.000 0.847 416 G HN 0.905 nan 8.290 nan 0.000 0.583 417 K N 0.468 120.879 120.400 0.020 0.000 2.469 417 K HA 0.321 4.641 4.320 0.000 0.000 0.274 417 K C 1.270 177.886 176.600 0.028 0.000 0.983 417 K CA 0.469 56.770 56.287 0.023 0.000 0.974 417 K CB 0.151 32.663 32.500 0.019 0.000 0.913 417 K HN 1.444 nan 8.250 nan 0.000 0.493 418 G N 1.173 109.995 108.800 0.036 0.000 2.220 418 G HA2 -0.361 3.599 3.960 0.000 0.000 0.269 418 G HA3 -0.361 3.599 3.960 0.000 0.000 0.269 418 G C 0.352 175.279 174.900 0.046 0.000 0.977 418 G CA 0.382 45.505 45.100 0.039 0.000 0.634 418 G HN 1.094 nan 8.290 nan 0.000 0.539 419 A N -0.425 122.424 122.820 0.047 0.000 2.366 419 A HA 0.681 5.001 4.320 0.000 0.000 0.249 419 A C 0.578 178.212 177.584 0.083 0.000 1.084 419 A CA 1.329 53.397 52.037 0.051 0.000 0.794 419 A CB 0.503 19.527 19.000 0.041 0.000 1.034 419 A HN 0.804 nan 8.150 nan 0.000 0.491 420 T N 1.771 116.374 114.554 0.081 0.000 2.841 420 T HA 0.563 4.913 4.350 0.000 0.000 0.283 420 T C -0.479 174.288 174.700 0.112 0.000 1.000 420 T CA -0.134 62.042 62.100 0.127 0.000 0.977 420 T CB 0.826 69.740 68.868 0.077 0.000 0.979 420 T HN 0.420 nan 8.240 nan 0.000 0.446 421 I N 2.402 123.064 120.570 0.153 0.000 2.389 421 I HA 0.501 4.670 4.170 0.000 0.000 0.288 421 I C 0.667 176.861 176.117 0.127 0.000 0.999 421 I CA -1.137 60.226 61.300 0.105 0.000 1.129 421 I CB 1.485 39.529 38.000 0.072 0.000 1.288 421 I HN 0.694 nan 8.210 nan 0.000 0.444 422 A N 4.926 127.797 122.820 0.085 0.000 2.483 422 A HA 0.535 4.855 4.320 0.000 0.000 0.238 422 A C 0.698 178.327 177.584 0.076 0.000 1.070 422 A CA -0.157 51.927 52.037 0.079 0.000 0.770 422 A CB 0.330 19.357 19.000 0.046 0.000 1.008 422 A HN 0.898 nan 8.150 nan 0.000 0.497 423 A N 1.098 123.967 122.820 0.082 0.000 2.531 423 A HA 0.472 4.792 4.320 0.000 0.000 0.236 423 A C 1.622 179.230 177.584 0.040 0.000 1.062 423 A CA 0.756 52.832 52.037 0.065 0.000 0.760 423 A CB -0.731 18.308 19.000 0.065 0.000 0.995 423 A HN 2.790 nan 8.150 nan 0.000 0.501 424 G N 1.852 110.671 108.800 0.031 0.000 2.153 424 G HA2 -0.200 3.760 3.960 0.000 0.000 0.252 424 G HA3 -0.200 3.760 3.960 0.000 0.000 0.252 424 G C 0.376 175.287 174.900 0.018 0.000 0.994 424 G CA 0.625 45.738 45.100 0.021 0.000 0.698 424 G HN 1.181 nan 8.290 nan 0.000 0.521 425 T N 0.969 115.536 114.554 0.023 0.000 2.909 425 T HA 0.546 4.896 4.350 0.000 0.000 0.289 425 T C 0.389 175.097 174.700 0.014 0.000 1.005 425 T CA 0.493 62.604 62.100 0.018 0.000 1.084 425 T CB 1.437 70.319 68.868 0.024 0.000 0.975 425 T HN 0.152 nan 8.240 nan 0.000 0.509 426 T N 2.979 117.539 114.554 0.009 0.000 2.874 426 T HA 0.365 4.715 4.350 0.000 0.000 0.321 426 T C -0.018 174.683 174.700 0.002 0.000 1.075 426 T CA -0.508 61.596 62.100 0.005 0.000 0.966 426 T CB 0.316 69.185 68.868 0.002 0.000 1.001 426 T HN 0.338 nan 8.240 nan 0.000 0.476 427 V N 4.709 124.625 119.914 0.002 0.000 2.389 427 V HA 0.263 4.383 4.120 0.000 0.000 0.264 427 V C 1.508 177.595 176.094 -0.011 0.000 1.049 427 V CA -0.203 62.096 62.300 -0.001 0.000 0.932 427 V CB 0.390 32.215 31.823 0.002 0.000 1.011 427 V HN 1.057 nan 8.190 nan 0.000 0.475 428 T N 1.812 116.356 114.554 -0.017 0.000 3.003 428 T HA 0.328 4.678 4.350 0.000 0.000 0.261 428 T C 0.605 175.284 174.700 -0.034 0.000 1.003 428 T CA -0.246 61.835 62.100 -0.031 0.000 0.917 428 T CB 0.384 69.232 68.868 -0.033 0.000 1.084 428 T HN 0.530 nan 8.240 nan 0.000 0.522 429 R N 1.097 121.583 120.500 -0.022 0.000 2.837 429 R HA 0.527 4.867 4.340 0.000 0.000 0.271 429 R C -1.046 175.247 176.300 -0.012 0.000 0.993 429 R CA -1.079 55.009 56.100 -0.020 0.000 0.931 429 R CB 0.754 31.044 30.300 -0.017 0.000 1.206 429 R HN 0.040 nan 8.270 nan 0.000 0.474 430 N N 0.361 119.055 118.700 -0.009 0.000 2.374 430 N HA 0.076 4.816 4.740 0.000 0.000 0.241 430 N C -0.556 174.955 175.510 0.002 0.000 1.262 430 N CA 0.174 53.223 53.050 -0.002 0.000 0.880 430 N CB 0.571 39.057 38.487 -0.001 0.000 1.105 430 N HN 0.191 nan 8.380 nan 0.000 0.438 431 V N 0.296 120.213 119.914 0.006 0.000 2.448 431 V HA 0.524 4.644 4.120 0.000 0.000 0.295 431 V C 1.030 177.130 176.094 0.011 0.000 1.025 431 V CA -1.024 61.282 62.300 0.010 0.000 0.859 431 V CB 1.417 33.249 31.823 0.015 0.000 0.988 431 V HN 0.744 nan 8.190 nan 0.000 0.431 432 G N 2.987 111.793 108.800 0.010 0.000 2.606 432 G HA2 0.332 4.292 3.960 0.000 0.000 0.252 432 G HA3 0.332 4.292 3.960 0.000 0.000 0.252 432 G C -0.058 174.850 174.900 0.013 0.000 1.206 432 G CA -0.463 44.643 45.100 0.010 0.000 0.861 432 G HN 0.765 nan 8.290 nan 0.000 0.561 433 E N 0.781 120.989 120.200 0.013 0.000 2.437 433 E HA -0.069 4.281 4.350 0.000 0.000 0.263 433 E C 0.156 176.765 176.600 0.015 0.000 1.030 433 E CA -0.007 56.402 56.400 0.015 0.000 0.934 433 E CB 0.378 30.086 29.700 0.012 0.000 0.943 433 E HN 0.566 nan 8.360 nan 0.000 0.444 434 N N -0.969 117.742 118.700 0.018 0.000 2.678 434 N HA -0.238 4.502 4.740 0.000 0.000 0.250 434 N C -0.571 174.947 175.510 0.014 0.000 1.136 434 N CA 1.164 54.224 53.050 0.016 0.000 0.757 434 N CB -1.050 37.443 38.487 0.011 0.000 1.135 434 N HN 0.576 nan 8.380 nan 0.000 0.565 435 A N 0.239 123.069 122.820 0.017 0.000 2.294 435 A HA 0.724 5.044 4.320 0.000 0.000 0.330 435 A C 0.085 177.682 177.584 0.021 0.000 1.133 435 A CA -0.633 51.413 52.037 0.015 0.000 0.836 435 A CB 1.225 20.233 19.000 0.013 0.000 1.190 435 A HN 0.225 nan 8.150 nan 0.000 0.492 436 L N 1.707 122.940 121.223 0.017 0.000 2.262 436 L HA 0.701 5.041 4.340 0.000 0.000 0.288 436 L C 0.237 177.120 176.870 0.022 0.000 1.035 436 L CA -0.019 54.834 54.840 0.022 0.000 0.820 436 L CB 0.875 42.942 42.059 0.014 0.000 1.204 436 L HN 0.772 nan 8.230 nan 0.000 0.424 437 A N 6.404 129.241 122.820 0.028 0.000 2.331 437 A HA 0.716 5.036 4.320 0.000 0.000 0.283 437 A C -0.604 176.994 177.584 0.024 0.000 1.142 437 A CA -0.380 51.671 52.037 0.023 0.000 0.812 437 A CB 0.471 19.485 19.000 0.024 0.000 1.074 437 A HN 0.875 nan 8.150 nan 0.000 0.497 438 I N 1.399 121.979 120.570 0.017 0.000 3.004 438 I HA 0.599 4.769 4.170 0.000 0.000 0.305 438 I C -0.451 175.672 176.117 0.010 0.000 1.312 438 I CA 0.019 61.328 61.300 0.016 0.000 0.992 438 I CB 2.383 40.391 38.000 0.014 0.000 1.282 438 I HN 0.799 nan 8.210 nan 0.000 0.449 439 S N 4.696 120.401 115.700 0.009 0.000 2.835 439 S HA 0.373 4.843 4.470 0.000 0.000 0.140 439 S C -0.764 173.838 174.600 0.003 0.000 1.131 439 S CA -0.896 57.307 58.200 0.004 0.000 1.110 439 S CB 0.096 63.297 63.200 0.003 0.000 1.683 439 S HN 0.897 nan 8.310 nan 0.000 0.473 440 R N 0.206 120.708 120.500 0.002 0.000 2.803 440 R HA 0.864 5.204 4.340 0.000 0.000 0.276 440 R C -1.453 174.845 176.300 -0.003 0.000 0.978 440 R CA -0.902 55.198 56.100 0.000 0.000 0.939 440 R CB 1.540 31.841 30.300 0.003 0.000 1.179 440 R HN 0.145 nan 8.270 nan 0.000 0.472 441 V N 3.248 123.158 119.914 -0.007 0.000 2.546 441 V HA 0.309 4.429 4.120 0.000 0.000 0.284 441 V C -1.842 174.245 176.094 -0.011 0.000 1.050 441 V CA -1.706 60.588 62.300 -0.010 0.000 0.981 441 V CB 1.030 32.844 31.823 -0.014 0.000 0.990 441 V HN 0.802 nan 8.190 nan 0.000 0.474 442 P HA 0.114 nan 4.420 nan 0.000 0.268 442 P C -0.463 176.827 177.300 -0.016 0.000 1.204 442 P CA -0.185 62.908 63.100 -0.011 0.000 0.768 442 P CB 0.316 32.010 31.700 -0.009 0.000 0.842 443 Q N 2.355 122.145 119.800 -0.017 0.000 2.286 443 Q HA 0.189 4.529 4.340 0.000 0.000 0.267 443 Q C -0.234 175.752 176.000 -0.023 0.000 1.028 443 Q CA 0.021 55.810 55.803 -0.023 0.000 0.901 443 Q CB 0.325 29.050 28.738 -0.022 0.000 1.183 443 Q HN 0.614 nan 8.270 nan 0.000 0.392 444 T N 1.175 115.711 114.554 -0.031 0.000 2.919 444 T HA 0.545 4.895 4.350 0.000 0.000 0.282 444 T C -0.586 174.093 174.700 -0.036 0.000 1.020 444 T CA -0.860 61.224 62.100 -0.027 0.000 0.994 444 T CB 1.852 70.705 68.868 -0.025 0.000 1.180 444 T HN 0.666 nan 8.240 nan 0.000 0.566 445 Q N -0.432 119.352 119.800 -0.027 0.000 2.379 445 Q HA 0.541 4.881 4.340 0.000 0.000 0.278 445 Q C -1.835 174.159 176.000 -0.010 0.000 1.068 445 Q CA -0.858 54.929 55.803 -0.027 0.000 0.816 445 Q CB 2.071 30.802 28.738 -0.012 0.000 1.387 445 Q HN 0.675 nan 8.270 nan 0.000 0.413 446 K N 2.447 122.844 120.400 -0.006 0.000 2.521 446 K HA 0.185 4.505 4.320 0.000 0.000 0.248 446 K C 0.258 176.916 176.600 0.097 0.000 0.978 446 K CA -0.277 56.039 56.287 0.049 0.000 0.947 446 K CB 0.899 33.430 32.500 0.051 0.000 1.165 446 K HN 0.563 nan 8.250 nan 0.000 0.445 447 E N 2.087 122.335 120.200 0.079 0.000 2.082 447 E HA -0.196 4.154 4.350 0.000 0.000 0.215 447 E C 0.552 177.211 176.600 0.098 0.000 1.048 447 E CA 1.940 58.386 56.400 0.076 0.000 0.869 447 E CB -0.172 29.560 29.700 0.054 0.000 0.773 447 E HN 0.729 nan 8.360 nan 0.000 0.466 448 G N -0.465 108.401 108.800 0.110 0.000 4.928 448 G HA2 0.222 4.182 3.960 0.000 0.000 0.321 448 G HA3 0.222 4.182 3.960 0.000 0.000 0.321 448 G C -1.225 173.744 174.900 0.115 0.000 1.455 448 G CA -0.684 44.471 45.100 0.093 0.000 1.081 448 G HN 0.036 nan 8.290 nan 0.000 0.569 449 W N 2.965 124.265 121.300 0.000 0.000 2.304 449 W HA 0.444 5.104 4.660 0.000 0.000 0.313 449 W C 0.294 176.812 176.519 -0.000 0.000 1.323 449 W CA -0.796 56.549 57.345 -0.000 0.000 1.223 449 W CB 0.812 30.272 29.460 -0.000 0.000 1.237 449 W HN 0.086 nan 8.180 nan 0.000 0.535 450 R N 5.814 125.851 120.500 -0.771 0.000 2.210 450 R HA 0.225 4.565 4.340 0.000 0.000 0.338 450 R C -0.230 175.498 176.300 -0.953 0.000 1.062 450 R CA -0.810 54.903 56.100 -0.645 0.000 0.902 450 R CB 0.835 30.852 30.300 -0.472 0.000 1.050 450 R HN 0.502 nan 8.270 nan 0.000 0.461 451 R N 3.322 123.559 120.500 -0.439 0.000 2.308 451 R HA 0.267 4.607 4.340 0.000 0.000 0.305 451 R C -1.548 174.648 176.300 -0.173 0.000 1.053 451 R CA -1.187 54.775 56.100 -0.229 0.000 0.957 451 R CB 0.438 30.791 30.300 0.088 0.000 1.022 451 R HN 0.362 nan 8.270 nan 0.000 0.461 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.045 63.100 -0.091 0.000 0.800 452 P CB 0.000 31.669 31.700 -0.052 0.000 0.726