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 2hv2_1_E DATA FIRST_RESID 2 DATA SEQUENCE TTKRVKKXGK EEXKEXFDLV IYAFNQEPTA ERQERFEKLL SHTQSYGFLI DATA SEQUENCE DEQLTSQVXA TPFQVNFHGV RYPXAGIGYV ASYPEYRGEG GISAIXKEXL DATA SEQUENCE ADLAKQKVAL SYLAPFSYPF YRQYGYEQTF EQAEYTIKTE DWPRVKRVPG DATA SEQUENCE TIKRVSWADG KEVIKDVYLE NQRAHSGGVI RETWWLDYTL NRASKPNNQA DATA SEQUENCE IYYSSEGKAE GYVIYRIAAG TFEIVEWNYL TNTAFKALAG FIGSHSGSVQ DATA SEQUENCE SFHWINGFAG KDLNDLXPTP AASVKILPYX XARIVELQTF LEKYPFQSGE DATA SEQUENCE KETYSLEIED SYGPWNEGIW TITIDEQGKA TVTKGAXXXX XXAALKADIQ DATA SEQUENCE TWTQLFLGYR SAETLSFYER LQGDATIAQR LGQRLVKGXP ILEDYF 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.702 174.700 0.004 0.000 1.109 2 T CA 0.000 62.111 62.100 0.019 0.000 1.349 2 T CB 0.000 68.892 68.868 0.041 0.000 0.612 3 T N 2.561 117.103 114.554 -0.020 0.000 2.909 3 T HA 0.780 5.117 4.350 -0.022 0.000 0.289 3 T C -0.398 174.243 174.700 -0.099 0.000 1.005 3 T CA -0.625 61.449 62.100 -0.044 0.000 1.084 3 T CB 1.064 69.903 68.868 -0.047 0.000 0.975 3 T HN 0.615 nan 8.240 nan 0.000 0.509 4 K N 1.679 122.002 120.400 -0.127 0.000 2.513 4 K HA 0.582 4.889 4.320 -0.022 0.000 0.251 4 K C -0.751 175.678 176.600 -0.285 0.000 0.939 4 K CA -0.900 55.211 56.287 -0.292 0.000 0.793 4 K CB 2.198 34.635 32.500 -0.106 0.000 1.241 4 K HN 0.892 nan 8.250 nan 0.000 0.431 5 R N 0.047 120.260 120.500 -0.479 0.000 2.629 5 R HA 0.449 4.775 4.340 -0.022 0.000 0.266 5 R C -1.390 174.832 176.300 -0.129 0.000 1.051 5 R CA -1.032 54.957 56.100 -0.185 0.000 0.895 5 R CB 0.799 31.040 30.300 -0.099 0.000 1.246 5 R HN 0.162 nan 8.270 nan 0.000 0.459 6 V N 1.939 121.932 119.914 0.131 0.000 2.498 6 V HA 0.373 4.480 4.120 -0.022 0.000 0.279 6 V C -0.030 176.138 176.094 0.124 0.000 1.048 6 V CA -0.216 62.219 62.300 0.225 0.000 0.967 6 V CB 1.315 33.313 31.823 0.292 0.000 0.988 6 V HN 0.658 nan 8.190 nan 0.000 0.473 7 K N 4.690 125.153 120.400 0.104 0.000 2.443 7 K HA 0.465 4.772 4.320 -0.022 0.000 0.252 7 K C -0.295 176.301 176.600 -0.007 0.000 0.933 7 K CA -0.778 55.531 56.287 0.035 0.000 0.792 7 K CB 1.725 34.226 32.500 0.001 0.000 1.185 7 K HN 0.607 nan 8.250 nan 0.000 0.425 11 K N -0.337 120.033 120.400 -0.051 0.000 2.439 11 K HA -0.007 4.300 4.320 -0.022 0.000 0.197 11 K C 1.730 178.324 176.600 -0.011 0.000 1.041 11 K CA 1.335 57.599 56.287 -0.037 0.000 0.970 11 K CB 0.199 32.660 32.500 -0.066 0.000 0.773 11 K HN 0.498 nan 8.250 nan 0.000 0.479 12 E N 1.236 121.429 120.200 -0.013 0.000 2.265 12 E HA -0.099 4.238 4.350 -0.022 0.000 0.196 12 E C 0.171 176.782 176.600 0.019 0.000 0.996 12 E CA 0.930 57.329 56.400 -0.001 0.000 0.832 12 E CB -0.022 29.674 29.700 -0.008 0.000 0.756 12 E HN 0.345 nan 8.360 nan 0.000 0.491 19 D N 1.411 121.748 120.400 -0.104 0.000 2.178 19 D HA -0.094 4.533 4.640 -0.022 0.000 0.201 19 D C 2.102 178.390 176.300 -0.021 0.000 0.980 19 D CA 1.758 55.720 54.000 -0.063 0.000 0.842 19 D CB -0.218 40.642 40.800 0.102 0.000 0.948 19 D HN 0.342 nan 8.370 nan 0.000 0.472 20 L N 0.101 121.289 121.223 -0.057 0.000 2.072 20 L HA -0.044 4.282 4.340 -0.022 0.000 0.205 20 L C 2.047 178.821 176.870 -0.160 0.000 1.079 20 L CA 1.249 55.949 54.840 -0.234 0.000 0.752 20 L CB -0.501 41.339 42.059 -0.365 0.000 0.906 20 L HN -0.128 nan 8.230 nan 0.000 0.436 21 V N -0.050 119.745 119.914 -0.198 0.000 2.358 21 V HA -0.246 3.860 4.120 -0.022 0.000 0.246 21 V C 2.585 178.621 176.094 -0.097 0.000 1.047 21 V CA 1.499 63.717 62.300 -0.136 0.000 1.035 21 V CB -0.498 31.023 31.823 -0.504 0.000 0.658 21 V HN 0.370 nan 8.190 nan 0.000 0.452 22 I N -0.907 119.462 120.570 -0.336 0.000 2.286 22 I HA -0.239 3.918 4.170 -0.022 0.000 0.248 22 I C 2.295 178.359 176.117 -0.089 0.000 1.115 22 I CA 1.897 63.025 61.300 -0.287 0.000 1.392 22 I CB -0.973 36.718 38.000 -0.515 0.000 1.065 22 I HN 0.393 nan 8.210 nan 0.000 0.418 23 Y N 1.909 122.143 120.300 -0.109 0.000 2.070 23 Y HA -0.223 4.314 4.550 -0.023 0.000 0.279 23 Y C 2.699 178.549 175.900 -0.083 0.000 1.134 23 Y CA 2.212 60.289 58.100 -0.038 0.000 1.113 23 Y CB -0.430 38.083 38.460 0.089 0.000 0.981 23 Y HN 0.106 nan 8.280 nan 0.000 0.487 24 A N -0.518 122.308 122.820 0.010 0.000 1.940 24 A HA -0.204 4.102 4.320 -0.022 0.000 0.219 24 A C 1.705 178.977 177.584 -0.519 0.000 1.176 24 A CA 1.908 53.785 52.037 -0.266 0.000 0.631 24 A CB -1.316 17.474 19.000 -0.349 0.000 0.814 24 A HN 0.542 nan 8.150 nan 0.000 0.446 25 F N -1.214 118.686 119.950 -0.084 0.000 2.641 25 F HA 0.238 4.752 4.527 -0.023 0.000 0.302 25 F C 0.811 176.564 175.800 -0.078 0.000 1.098 25 F CA -0.078 57.899 58.000 -0.038 0.000 1.318 25 F CB -0.482 38.555 39.000 0.062 0.000 1.035 25 F HN 0.297 nan 8.300 nan 0.000 0.551 26 N N 2.264 120.926 118.700 -0.063 0.000 2.688 26 N HA -0.234 4.492 4.740 -0.022 0.000 0.258 26 N C -0.673 174.821 175.510 -0.028 0.000 1.016 26 N CA 0.558 53.545 53.050 -0.105 0.000 0.747 26 N CB -0.622 37.789 38.487 -0.127 0.000 0.895 26 N HN 0.585 nan 8.380 nan 0.000 0.543 27 Q N -0.381 119.407 119.800 -0.020 0.000 2.345 27 Q HA 0.369 4.696 4.340 -0.022 0.000 0.268 27 Q C -0.353 175.624 176.000 -0.038 0.000 1.054 27 Q CA -1.067 54.732 55.803 -0.006 0.000 0.835 27 Q CB 1.374 30.128 28.738 0.027 0.000 1.339 27 Q HN 0.534 nan 8.270 nan 0.000 0.447 28 E N 1.725 121.918 120.200 -0.011 0.000 2.338 28 E HA 0.221 4.558 4.350 -0.022 0.000 0.272 28 E C -2.081 174.531 176.600 0.021 0.000 1.029 28 E CA -2.105 54.293 56.400 -0.003 0.000 0.872 28 E CB 0.383 30.090 29.700 0.011 0.000 1.015 28 E HN 0.326 nan 8.360 nan 0.000 0.417 29 P HA -0.002 nan 4.420 nan 0.000 0.237 29 P C -0.175 177.243 177.300 0.196 0.000 1.788 29 P CA -0.131 63.058 63.100 0.148 0.000 1.061 29 P CB -0.200 31.584 31.700 0.140 0.000 1.967 30 T N -1.647 113.000 114.554 0.156 0.000 2.816 30 T HA 0.438 4.775 4.350 -0.022 0.000 0.282 30 T C 1.596 176.358 174.700 0.104 0.000 0.993 30 T CA -0.112 62.051 62.100 0.105 0.000 0.994 30 T CB 0.967 69.876 68.868 0.070 0.000 1.025 30 T HN 0.093 nan 8.240 nan 0.000 0.529 31 A N -0.160 122.694 122.820 0.057 0.000 1.933 31 A HA -0.076 4.231 4.320 -0.022 0.000 0.218 31 A C 2.313 179.917 177.584 0.034 0.000 1.175 31 A CA 1.831 53.887 52.037 0.030 0.000 0.628 31 A CB -1.120 17.892 19.000 0.018 0.000 0.814 31 A HN 1.025 nan 8.150 nan 0.000 0.444 32 E N -0.521 119.704 120.200 0.043 0.000 2.072 32 E HA -0.210 4.127 4.350 -0.022 0.000 0.191 32 E C 2.300 178.944 176.600 0.073 0.000 0.985 32 E CA 1.084 57.508 56.400 0.040 0.000 0.801 32 E CB -0.130 29.583 29.700 0.021 0.000 0.750 32 E HN 0.591 nan 8.360 nan 0.000 0.452 33 R N 0.370 120.939 120.500 0.115 0.000 2.092 33 R HA -0.137 4.189 4.340 -0.022 0.000 0.231 33 R C 2.463 178.922 176.300 0.266 0.000 1.119 33 R CA 1.568 57.788 56.100 0.200 0.000 0.970 33 R CB -0.054 30.380 30.300 0.224 0.000 0.864 33 R HN 0.206 nan 8.270 nan 0.000 0.440 34 Q N 0.208 120.077 119.800 0.115 0.000 2.119 34 Q HA -0.183 4.144 4.340 -0.022 0.000 0.201 34 Q C 1.504 177.482 176.000 -0.037 0.000 0.972 34 Q CA 1.648 57.309 55.803 -0.236 0.000 0.847 34 Q CB 0.188 28.627 28.738 -0.499 0.000 0.903 34 Q HN 0.406 nan 8.270 nan 0.000 0.433 35 E N -0.102 120.113 120.200 0.025 0.000 2.077 35 E HA -0.188 4.149 4.350 -0.022 0.000 0.193 35 E C 2.092 178.775 176.600 0.137 0.000 0.989 35 E CA 1.038 57.473 56.400 0.057 0.000 0.800 35 E CB 0.055 29.783 29.700 0.047 0.000 0.746 35 E HN 0.228 nan 8.360 nan 0.000 0.452 36 R N -0.355 120.258 120.500 0.188 0.000 2.073 36 R HA -0.150 4.177 4.340 -0.022 0.000 0.234 36 R C 2.239 178.808 176.300 0.448 0.000 1.134 36 R CA 1.333 57.617 56.100 0.307 0.000 0.952 36 R CB -0.391 30.032 30.300 0.205 0.000 0.850 36 R HN 0.177 nan 8.270 nan 0.000 0.433 37 F N 2.143 122.246 119.950 0.255 0.000 2.126 37 F HA -0.189 4.326 4.527 -0.020 0.000 0.299 37 F C 1.915 177.801 175.800 0.144 0.000 1.096 37 F CA 1.660 59.810 58.000 0.251 0.000 1.255 37 F CB -0.022 39.115 39.000 0.228 0.000 0.997 37 F HN 0.018 nan 8.300 nan 0.000 0.479 38 E N -0.461 119.800 120.200 0.101 0.000 2.150 38 E HA -0.187 4.150 4.350 -0.022 0.000 0.193 38 E C 2.171 178.740 176.600 -0.052 0.000 0.985 38 E CA 0.602 56.987 56.400 -0.025 0.000 0.814 38 E CB -0.136 29.564 29.700 -0.000 0.000 0.752 38 E HN 0.195 nan 8.360 nan 0.000 0.466 39 K N 1.108 121.544 120.400 0.060 0.000 2.002 39 K HA -0.142 4.165 4.320 -0.022 0.000 0.209 39 K C 2.217 178.807 176.600 -0.016 0.000 1.048 39 K CA 0.681 57.017 56.287 0.081 0.000 0.930 39 K CB -0.538 32.140 32.500 0.297 0.000 0.714 39 K HN 0.103 nan 8.250 nan 0.000 0.438 40 L N 1.725 122.959 121.223 0.018 0.000 2.043 40 L HA -0.171 4.156 4.340 -0.022 0.000 0.212 40 L C 2.191 178.922 176.870 -0.232 0.000 1.075 40 L CA 1.538 56.313 54.840 -0.107 0.000 0.752 40 L CB -0.593 41.461 42.059 -0.008 0.000 0.891 40 L HN 0.168 nan 8.230 nan 0.000 0.432 41 L N -0.696 120.335 121.223 -0.320 0.000 2.191 41 L HA -0.165 4.161 4.340 -0.022 0.000 0.212 41 L C 2.286 178.960 176.870 -0.326 0.000 1.103 41 L CA 1.344 55.988 54.840 -0.328 0.000 0.769 41 L CB -0.565 41.297 42.059 -0.329 0.000 0.908 41 L HN 0.533 nan 8.230 nan 0.000 0.438 42 S N -2.499 112.948 115.700 -0.421 0.000 2.607 42 S HA -0.050 4.407 4.470 -0.022 0.000 0.224 42 S C 1.104 175.161 174.600 -0.904 0.000 0.969 42 S CA 0.191 58.037 58.200 -0.590 0.000 0.927 42 S CB -0.252 62.575 63.200 -0.620 0.000 0.772 42 S HN 0.476 nan 8.310 nan 0.000 0.533 43 H N 0.374 119.147 119.070 -0.495 0.000 2.885 43 H HA 0.361 4.904 4.556 -0.023 0.000 0.254 43 H C -0.379 174.728 175.328 -0.368 0.000 1.185 43 H CA -0.074 55.636 56.048 -0.564 0.000 1.029 43 H CB 0.633 29.730 29.762 -1.110 0.000 1.743 43 H HN 0.317 nan 8.280 nan 0.000 0.632 44 T N 0.371 114.804 114.554 -0.202 0.000 2.887 44 T HA 0.293 4.630 4.350 -0.022 0.000 0.292 44 T C -0.604 174.023 174.700 -0.121 0.000 1.087 44 T CA -0.737 61.280 62.100 -0.138 0.000 1.009 44 T CB 3.026 71.841 68.868 -0.090 0.000 1.203 44 T HN -0.016 nan 8.240 nan 0.000 0.518 45 Q N 1.138 120.902 119.800 -0.059 0.000 2.333 45 Q HA 0.575 4.902 4.340 -0.022 0.000 0.265 45 Q C -0.635 175.366 176.000 0.001 0.000 0.989 45 Q CA -0.260 55.494 55.803 -0.081 0.000 0.842 45 Q CB 1.522 30.205 28.738 -0.090 0.000 1.262 45 Q HN 0.628 nan 8.270 nan 0.000 0.451 46 S N 3.681 119.352 115.700 -0.049 0.000 2.562 46 S HA 0.525 4.982 4.470 -0.022 0.000 0.275 46 S C -1.310 173.254 174.600 -0.060 0.000 1.281 46 S CA -0.220 58.018 58.200 0.063 0.000 1.045 46 S CB 0.226 63.475 63.200 0.082 0.000 0.962 46 S HN 0.509 nan 8.310 nan 0.000 0.503 47 Y N 1.746 122.087 120.300 0.068 0.000 2.341 47 Y HA 0.587 5.119 4.550 -0.031 0.000 0.338 47 Y C 0.806 176.765 175.900 0.098 0.000 0.965 47 Y CA -0.689 57.454 58.100 0.072 0.000 1.108 47 Y CB 1.763 40.264 38.460 0.070 0.000 1.180 47 Y HN 0.766 nan 8.280 nan 0.000 0.458 48 G N 1.993 110.917 108.800 0.206 0.000 2.453 48 G HA2 0.522 4.468 3.960 -0.022 0.000 0.323 48 G HA3 0.522 4.468 3.960 -0.022 0.000 0.323 48 G C -2.111 172.928 174.900 0.231 0.000 1.198 48 G CA -0.611 44.601 45.100 0.187 0.000 0.959 48 G HN 0.406 nan 8.290 nan 0.000 0.482 49 F N 1.570 121.549 119.950 0.048 0.000 2.411 49 F HA 0.614 5.126 4.527 -0.025 0.000 0.352 49 F C -0.311 175.474 175.800 -0.024 0.000 1.123 49 F CA -1.151 56.862 58.000 0.022 0.000 1.044 49 F CB 1.221 40.234 39.000 0.023 0.000 1.135 49 F HN 0.175 nan 8.300 nan 0.000 0.461 50 L N 7.467 128.443 121.223 -0.412 0.000 2.295 50 L HA 0.508 4.835 4.340 -0.022 0.000 0.285 50 L C -0.592 175.964 176.870 -0.524 0.000 1.035 50 L CA -0.637 53.996 54.840 -0.344 0.000 0.806 50 L CB 1.615 43.548 42.059 -0.211 0.000 1.214 50 L HN 0.499 nan 8.230 nan 0.000 0.426 51 I N 3.309 123.651 120.570 -0.380 0.000 2.382 51 I HA 0.207 4.364 4.170 -0.022 0.000 0.285 51 I C -0.432 175.594 176.117 -0.150 0.000 1.007 51 I CA -0.374 60.758 61.300 -0.281 0.000 1.142 51 I CB 1.221 39.077 38.000 -0.241 0.000 1.289 51 I HN 0.674 nan 8.210 nan 0.000 0.453 52 D N 5.918 126.254 120.400 -0.106 0.000 2.699 52 D HA -0.176 4.451 4.640 -0.022 0.000 0.239 52 D C 0.346 176.610 176.300 -0.060 0.000 1.136 52 D CA 0.838 54.804 54.000 -0.057 0.000 0.668 52 D CB -0.437 40.354 40.800 -0.014 0.000 1.060 52 D HN 0.707 nan 8.370 nan 0.000 0.429 53 E N -2.340 117.807 120.200 -0.088 0.000 3.170 53 E HA -0.233 4.104 4.350 -0.022 0.000 0.284 53 E C 0.040 176.607 176.600 -0.055 0.000 0.967 53 E CA 1.033 57.392 56.400 -0.069 0.000 0.919 53 E CB -0.895 28.780 29.700 -0.043 0.000 1.469 53 E HN 0.584 nan 8.360 nan 0.000 0.444 54 Q N 0.226 119.984 119.800 -0.070 0.000 2.271 54 Q HA 0.427 4.754 4.340 -0.022 0.000 0.258 54 Q C 0.306 176.266 176.000 -0.067 0.000 0.936 54 Q CA -0.930 54.847 55.803 -0.044 0.000 0.909 54 Q CB 1.479 30.201 28.738 -0.027 0.000 1.253 54 Q HN 0.138 nan 8.270 nan 0.000 0.440 55 L N 3.123 124.351 121.223 0.008 0.000 2.500 55 L HA 0.017 4.343 4.340 -0.022 0.000 0.272 55 L C 0.997 177.918 176.870 0.085 0.000 1.149 55 L CA 0.966 55.832 54.840 0.042 0.000 0.897 55 L CB 0.312 42.427 42.059 0.094 0.000 1.178 55 L HN 0.824 nan 8.230 nan 0.000 0.473 56 T N -0.615 113.941 114.554 0.003 0.000 3.000 56 T HA 0.326 4.662 4.350 -0.022 0.000 0.248 56 T C 0.706 175.464 174.700 0.097 0.000 1.034 56 T CA 0.265 62.365 62.100 0.000 0.000 1.060 56 T CB 0.109 68.704 68.868 -0.455 0.000 0.983 56 T HN 0.491 nan 8.240 nan 0.000 0.482 57 S N 0.419 116.183 115.700 0.106 0.000 2.579 57 S HA 0.682 5.139 4.470 -0.022 0.000 0.272 57 S C -1.902 172.771 174.600 0.122 0.000 1.141 57 S CA -0.805 57.455 58.200 0.099 0.000 0.843 57 S CB 2.553 65.832 63.200 0.132 0.000 1.122 57 S HN 0.393 nan 8.310 nan 0.000 0.468 58 Q N 1.667 121.542 119.800 0.125 0.000 2.320 58 Q HA 0.659 4.986 4.340 -0.022 0.000 0.272 58 Q C -1.933 174.191 176.000 0.207 0.000 1.023 58 Q CA -0.396 55.509 55.803 0.170 0.000 0.855 58 Q CB 2.090 30.920 28.738 0.152 0.000 1.367 58 Q HN 0.575 nan 8.270 nan 0.000 0.406 62 T N 4.912 119.376 114.554 -0.149 0.000 2.767 62 T HA 0.594 4.931 4.350 -0.022 0.000 0.288 62 T C -2.710 171.703 174.700 -0.478 0.000 0.963 62 T CA -1.000 60.901 62.100 -0.332 0.000 1.019 62 T CB 1.040 69.641 68.868 -0.445 0.000 0.923 62 T HN 0.418 nan 8.240 nan 0.000 0.468 63 P HA 0.385 nan 4.420 nan 0.000 0.276 63 P C -0.968 175.997 177.300 -0.559 0.000 1.253 63 P CA -0.135 62.756 63.100 -0.349 0.000 0.766 63 P CB 0.132 31.710 31.700 -0.203 0.000 0.845 64 F N 0.775 120.579 119.950 -0.243 0.000 2.631 64 F HA 0.442 4.957 4.527 -0.020 0.000 0.328 64 F C 0.697 176.407 175.800 -0.149 0.000 1.067 64 F CA -0.829 57.016 58.000 -0.257 0.000 0.969 64 F CB 1.689 40.448 39.000 -0.402 0.000 1.332 64 F HN 0.091 nan 8.300 nan 0.000 0.490 65 Q N 1.459 121.333 119.800 0.123 0.000 2.306 65 Q HA 0.664 4.991 4.340 -0.022 0.000 0.265 65 Q C -1.042 175.026 176.000 0.113 0.000 1.022 65 Q CA -0.886 54.974 55.803 0.094 0.000 0.853 65 Q CB 2.804 31.588 28.738 0.076 0.000 1.327 65 Q HN 0.565 nan 8.270 nan 0.000 0.449 66 V N -0.652 119.346 119.914 0.139 0.000 2.823 66 V HA 0.568 4.675 4.120 -0.022 0.000 0.312 66 V C -0.475 175.746 176.094 0.212 0.000 1.072 66 V CA -1.103 61.312 62.300 0.192 0.000 0.937 66 V CB 2.109 34.074 31.823 0.237 0.000 1.013 66 V HN 0.664 nan 8.190 nan 0.000 0.430 67 N N 2.647 121.459 118.700 0.188 0.000 2.469 67 N HA 0.307 5.034 4.740 -0.022 0.000 0.239 67 N C -1.392 174.231 175.510 0.189 0.000 1.053 67 N CA -0.485 52.628 53.050 0.105 0.000 0.937 67 N CB 0.579 39.047 38.487 -0.032 0.000 1.163 67 N HN 0.809 nan 8.380 nan 0.000 0.509 68 F N 5.290 125.307 119.950 0.111 0.000 2.291 68 F HA 0.290 4.805 4.527 -0.020 0.000 0.368 68 F C 0.404 176.286 175.800 0.137 0.000 1.085 68 F CA -0.375 57.748 58.000 0.205 0.000 1.165 68 F CB -0.316 38.956 39.000 0.452 0.000 1.429 68 F HN 0.551 nan 8.300 nan 0.000 0.503 69 H N 3.485 122.358 119.070 -0.328 0.000 2.713 69 H HA -0.211 4.332 4.556 -0.023 0.000 0.311 69 H C 1.443 176.655 175.328 -0.194 0.000 1.175 69 H CA 0.957 56.823 56.048 -0.303 0.000 1.143 69 H CB -1.322 28.143 29.762 -0.494 0.000 1.434 69 H HN 1.071 nan 8.280 nan 0.000 0.418 70 G N -1.475 107.253 108.800 -0.120 0.000 2.213 70 G HA2 -0.301 3.646 3.960 -0.022 0.000 0.236 70 G HA3 -0.301 3.646 3.960 -0.022 0.000 0.236 70 G C 0.226 175.056 174.900 -0.117 0.000 0.991 70 G CA 0.062 45.085 45.100 -0.128 0.000 0.629 70 G HN 0.434 nan 8.290 nan 0.000 0.517 71 V N 1.901 121.754 119.914 -0.101 0.000 2.383 71 V HA 0.587 4.694 4.120 -0.022 0.000 0.275 71 V C 0.743 176.722 176.094 -0.191 0.000 1.036 71 V CA -0.898 61.278 62.300 -0.207 0.000 0.889 71 V CB 1.329 32.948 31.823 -0.342 0.000 0.985 71 V HN 0.315 nan 8.190 nan 0.000 0.459 72 R N 4.146 124.537 120.500 -0.181 0.000 2.404 72 R HA 0.319 4.646 4.340 -0.022 0.000 0.315 72 R C -0.949 175.260 176.300 -0.152 0.000 1.032 72 R CA 0.322 56.365 56.100 -0.095 0.000 0.992 72 R CB -0.358 29.906 30.300 -0.059 0.000 0.959 72 R HN 0.603 nan 8.270 nan 0.000 0.428 73 Y N 4.377 124.718 120.300 0.069 0.000 2.429 73 Y HA 0.396 4.930 4.550 -0.026 0.000 0.342 73 Y C -1.658 174.255 175.900 0.022 0.000 1.004 73 Y CA -2.557 55.577 58.100 0.056 0.000 1.075 73 Y CB 1.993 40.508 38.460 0.093 0.000 1.214 73 Y HN 0.536 nan 8.280 nan 0.000 0.455 77 G N 2.521 111.227 108.800 -0.157 0.000 2.356 77 G HA2 0.521 4.468 3.960 -0.022 0.000 0.300 77 G HA3 0.521 4.468 3.960 -0.022 0.000 0.300 77 G C -0.133 174.698 174.900 -0.115 0.000 1.107 77 G CA -0.252 44.627 45.100 -0.369 0.000 0.960 77 G HN 0.548 nan 8.290 nan 0.000 0.418 78 I N 2.303 122.907 120.570 0.056 0.000 2.342 78 I HA 0.604 4.761 4.170 -0.022 0.000 0.291 78 I C 0.855 177.020 176.117 0.079 0.000 1.010 78 I CA -0.540 60.787 61.300 0.045 0.000 1.308 78 I CB 0.658 38.645 38.000 -0.021 0.000 1.400 78 I HN 0.524 nan 8.210 nan 0.000 0.488 79 G N 3.999 112.849 108.800 0.083 0.000 2.687 79 G HA2 0.459 4.406 3.960 -0.022 0.000 0.291 79 G HA3 0.459 4.406 3.960 -0.022 0.000 0.291 79 G C -1.251 173.746 174.900 0.161 0.000 1.420 79 G CA -0.549 44.578 45.100 0.045 0.000 0.796 79 G HN 0.313 nan 8.290 nan 0.000 0.485 80 Y N -1.852 118.521 120.300 0.123 0.000 3.037 80 Y HA -0.188 4.348 4.550 -0.024 0.000 0.204 80 Y C 1.043 177.161 175.900 0.363 0.000 1.275 80 Y CA -0.262 57.937 58.100 0.165 0.000 1.066 80 Y CB -2.084 36.456 38.460 0.133 0.000 1.305 80 Y HN 0.309 nan 8.280 nan 0.000 0.499 81 V N 0.491 120.736 119.914 0.551 0.000 2.415 81 V HA 0.579 4.686 4.120 -0.022 0.000 0.267 81 V C 0.666 176.961 176.094 0.334 0.000 1.042 81 V CA 0.201 62.753 62.300 0.420 0.000 1.000 81 V CB 0.813 32.921 31.823 0.475 0.000 1.015 81 V HN 0.539 nan 8.190 nan 0.000 0.478 82 A N 4.366 127.315 122.820 0.213 0.000 2.455 82 A HA 0.854 5.161 4.320 -0.022 0.000 0.300 82 A C -0.526 177.048 177.584 -0.016 0.000 1.040 82 A CA -0.471 51.602 52.037 0.060 0.000 0.697 82 A CB 2.160 21.247 19.000 0.145 0.000 1.265 82 A HN 0.600 nan 8.150 nan 0.000 0.407 83 S N 0.207 115.856 115.700 -0.084 0.000 2.540 83 S HA 0.616 5.073 4.470 -0.022 0.000 0.275 83 S C -1.462 173.125 174.600 -0.023 0.000 1.123 83 S CA -0.303 57.877 58.200 -0.033 0.000 0.907 83 S CB 0.669 63.890 63.200 0.036 0.000 1.081 83 S HN 0.482 nan 8.310 nan 0.000 0.476 84 Y N 3.519 123.885 120.300 0.109 0.000 2.346 84 Y HA 0.224 4.761 4.550 -0.022 0.000 0.330 84 Y C -1.091 174.855 175.900 0.075 0.000 1.178 84 Y CA -1.525 56.606 58.100 0.052 0.000 1.331 84 Y CB 0.268 38.780 38.460 0.088 0.000 1.253 84 Y HN 0.484 nan 8.280 nan 0.000 0.529 85 P HA -0.163 nan 4.420 nan 0.000 0.218 85 P C 0.211 177.521 177.300 0.016 0.000 1.149 85 P CA 1.507 64.668 63.100 0.101 0.000 0.817 85 P CB 0.344 32.109 31.700 0.108 0.000 0.785 86 E N -1.409 118.725 120.200 -0.109 0.000 2.511 86 E HA -0.083 4.254 4.350 -0.022 0.000 0.196 86 E C 0.498 176.839 176.600 -0.432 0.000 1.066 86 E CA 0.660 56.874 56.400 -0.310 0.000 0.871 86 E CB -0.933 28.455 29.700 -0.521 0.000 0.863 86 E HN 0.499 nan 8.360 nan 0.000 0.520 87 Y N 0.807 121.152 120.300 0.075 0.000 2.696 87 Y HA 0.195 4.733 4.550 -0.020 0.000 0.260 87 Y C 0.374 176.328 175.900 0.090 0.000 1.165 87 Y CA -0.983 57.174 58.100 0.096 0.000 1.189 87 Y CB 0.132 38.677 38.460 0.142 0.000 1.180 87 Y HN -0.071 nan 8.280 nan 0.000 0.538 88 R N 0.204 120.797 120.500 0.154 0.000 2.697 88 R HA 0.223 4.550 4.340 -0.022 0.000 0.265 88 R C 1.141 177.512 176.300 0.118 0.000 1.009 88 R CA 0.961 57.133 56.100 0.120 0.000 1.099 88 R CB 0.024 30.367 30.300 0.071 0.000 0.965 88 R HN 0.478 nan 8.270 nan 0.000 0.428 89 G N 1.436 110.303 108.800 0.111 0.000 2.168 89 G HA2 -0.276 3.671 3.960 -0.022 0.000 0.263 89 G HA3 -0.276 3.671 3.960 -0.022 0.000 0.263 89 G C 0.529 175.497 174.900 0.112 0.000 0.977 89 G CA 0.497 45.657 45.100 0.100 0.000 0.659 89 G HN 0.733 nan 8.290 nan 0.000 0.533 90 E N -0.090 120.196 120.200 0.142 0.000 2.478 90 E HA 0.255 4.591 4.350 -0.022 0.000 0.194 90 E C 1.923 178.565 176.600 0.070 0.000 1.045 90 E CA 0.957 57.456 56.400 0.164 0.000 0.868 90 E CB -0.160 29.707 29.700 0.278 0.000 0.885 90 E HN 1.565 nan 8.360 nan 0.000 0.505 91 G N 0.897 109.697 108.800 -0.001 0.000 2.149 91 G HA2 -0.280 3.667 3.960 -0.022 0.000 0.235 91 G HA3 -0.280 3.667 3.960 -0.022 0.000 0.235 91 G C 1.000 175.673 174.900 -0.378 0.000 1.018 91 G CA 0.396 45.442 45.100 -0.089 0.000 0.728 91 G HN 0.456 nan 8.290 nan 0.000 0.508 92 G N 0.164 108.664 108.800 -0.500 0.000 2.404 92 G HA2 0.042 3.989 3.960 -0.022 0.000 0.215 92 G HA3 0.042 3.989 3.960 -0.022 0.000 0.215 92 G C 1.744 176.373 174.900 -0.451 0.000 1.174 92 G CA 1.251 45.765 45.100 -0.977 0.000 0.780 92 G HN 0.603 nan 8.290 nan 0.000 0.537 93 I N 1.008 121.487 120.570 -0.151 0.000 2.315 93 I HA -0.140 4.016 4.170 -0.022 0.000 0.248 93 I C 2.987 178.983 176.117 -0.201 0.000 1.117 93 I CA 0.935 62.188 61.300 -0.078 0.000 1.404 93 I CB -0.023 38.044 38.000 0.113 0.000 1.071 93 I HN 0.079 nan 8.210 nan 0.000 0.419 94 S N 0.567 116.204 115.700 -0.105 0.000 2.368 94 S HA -0.154 4.303 4.470 -0.022 0.000 0.225 94 S C 2.258 176.860 174.600 0.003 0.000 1.030 94 S CA 1.291 59.486 58.200 -0.008 0.000 0.999 94 S CB -0.354 62.975 63.200 0.216 0.000 0.844 94 S HN 0.541 nan 8.310 nan 0.000 0.459 95 A N 1.207 123.969 122.820 -0.098 0.000 1.902 95 A HA 0.051 4.358 4.320 -0.022 0.000 0.217 95 A C 1.196 178.778 177.584 -0.003 0.000 1.181 95 A CA 0.795 52.800 52.037 -0.052 0.000 0.623 95 A CB -0.602 18.277 19.000 -0.202 0.000 0.818 95 A HN 0.427 nan 8.150 nan 0.000 0.443 102 A N 0.188 123.093 122.820 0.141 0.000 1.902 102 A HA -0.259 4.048 4.320 -0.022 0.000 0.217 102 A C 1.707 179.146 177.584 -0.242 0.000 1.181 102 A CA 2.538 54.475 52.037 -0.166 0.000 0.623 102 A CB -0.491 18.552 19.000 0.071 0.000 0.818 102 A HN 0.487 nan 8.150 nan 0.000 0.443 103 D N -0.316 120.034 120.400 -0.084 0.000 2.144 103 D HA -0.065 4.561 4.640 -0.022 0.000 0.200 103 D C 1.831 178.092 176.300 -0.065 0.000 0.978 103 D CA 1.038 55.017 54.000 -0.034 0.000 0.833 103 D CB -0.169 40.699 40.800 0.114 0.000 0.961 103 D HN 0.426 nan 8.370 nan 0.000 0.470 104 L N -0.157 121.023 121.223 -0.072 0.000 2.156 104 L HA 0.023 4.350 4.340 -0.022 0.000 0.208 104 L C 2.531 179.323 176.870 -0.130 0.000 1.095 104 L CA 0.882 55.684 54.840 -0.063 0.000 0.770 104 L CB -0.408 41.633 42.059 -0.031 0.000 0.914 104 L HN 0.007 nan 8.230 nan 0.000 0.439 105 A N 0.263 122.924 122.820 -0.265 0.000 1.902 105 A HA -0.247 4.059 4.320 -0.022 0.000 0.217 105 A C 2.391 179.742 177.584 -0.387 0.000 1.181 105 A CA 1.842 53.604 52.037 -0.458 0.000 0.623 105 A CB -0.403 17.821 19.000 -1.293 0.000 0.818 105 A HN 0.301 nan 8.150 nan 0.000 0.443 106 K N -0.445 119.749 120.400 -0.344 0.000 2.147 106 K HA -0.156 4.151 4.320 -0.022 0.000 0.205 106 K C 1.816 178.340 176.600 -0.126 0.000 1.049 106 K CA 1.535 57.694 56.287 -0.214 0.000 0.936 106 K CB -0.128 32.274 32.500 -0.165 0.000 0.722 106 K HN 0.625 nan 8.250 nan 0.000 0.446 107 Q N 0.182 119.920 119.800 -0.102 0.000 2.444 107 Q HA 0.030 4.357 4.340 -0.022 0.000 0.206 107 Q C -0.468 175.502 176.000 -0.050 0.000 0.948 107 Q CA 0.159 55.926 55.803 -0.061 0.000 0.946 107 Q CB 0.590 29.303 28.738 -0.041 0.000 1.027 107 Q HN 0.084 nan 8.270 nan 0.000 0.513 108 K N -1.135 119.226 120.400 -0.065 0.000 3.192 108 K HA -0.134 4.173 4.320 -0.022 0.000 0.278 108 K C -0.856 175.743 176.600 -0.003 0.000 1.164 108 K CA 0.304 56.573 56.287 -0.029 0.000 0.816 108 K CB -2.803 29.693 32.500 -0.006 0.000 1.256 108 K HN 0.094 nan 8.250 nan 0.000 0.497 109 V N 0.856 120.757 119.914 -0.021 0.000 2.479 109 V HA 0.170 4.277 4.120 -0.022 0.000 0.281 109 V C 1.920 178.011 176.094 -0.004 0.000 1.031 109 V CA 0.826 63.120 62.300 -0.009 0.000 1.038 109 V CB 1.262 33.069 31.823 -0.028 0.000 0.981 109 V HN 0.482 nan 8.190 nan 0.000 0.478 110 A N 5.889 128.717 122.820 0.014 0.000 2.030 110 A HA 0.377 4.684 4.320 -0.022 0.000 0.215 110 A C 0.656 178.118 177.584 -0.204 0.000 1.164 110 A CA 0.696 52.716 52.037 -0.029 0.000 0.697 110 A CB 0.102 19.149 19.000 0.078 0.000 0.827 110 A HN 0.627 nan 8.150 nan 0.000 0.457 111 L N -1.656 119.450 121.223 -0.194 0.000 2.376 111 L HA 0.582 4.909 4.340 -0.022 0.000 0.258 111 L C -0.702 176.068 176.870 -0.165 0.000 1.013 111 L CA -0.629 54.061 54.840 -0.250 0.000 0.822 111 L CB 2.367 44.243 42.059 -0.305 0.000 1.388 111 L HN 0.027 nan 8.230 nan 0.000 0.413 112 S N 0.144 115.799 115.700 -0.075 0.000 2.619 112 S HA 0.671 5.127 4.470 -0.022 0.000 0.280 112 S C -1.563 173.245 174.600 0.347 0.000 1.150 112 S CA -0.435 57.810 58.200 0.075 0.000 0.978 112 S CB 0.691 63.995 63.200 0.172 0.000 1.041 112 S HN 0.306 nan 8.310 nan 0.000 0.485 113 Y N 3.789 124.217 120.300 0.212 0.000 2.420 113 Y HA 0.786 5.325 4.550 -0.018 0.000 0.334 113 Y C 0.061 176.076 175.900 0.192 0.000 1.094 113 Y CA -1.620 56.624 58.100 0.241 0.000 1.126 113 Y CB 1.432 40.046 38.460 0.256 0.000 1.217 113 Y HN 0.696 nan 8.280 nan 0.000 0.462 114 L N -0.243 121.049 121.223 0.115 0.000 2.540 114 L HA 1.019 5.346 4.340 -0.022 0.000 0.256 114 L C -1.220 175.416 176.870 -0.389 0.000 1.001 114 L CA -1.702 53.032 54.840 -0.177 0.000 0.843 114 L CB 1.706 43.470 42.059 -0.493 0.000 1.436 114 L HN 0.529 nan 8.230 nan 0.000 0.410 115 A N 2.015 124.581 122.820 -0.422 0.000 2.277 115 A HA 0.874 5.180 4.320 -0.022 0.000 0.318 115 A C -2.508 174.900 177.584 -0.293 0.000 1.339 115 A CA -1.177 50.635 52.037 -0.374 0.000 0.875 115 A CB -0.172 18.659 19.000 -0.281 0.000 1.158 115 A HN 0.664 nan 8.150 nan 0.000 0.514 116 P HA 0.294 nan 4.420 nan 0.000 0.288 116 P C 0.302 177.569 177.300 -0.055 0.000 1.267 116 P CA -0.543 62.358 63.100 -0.331 0.000 0.815 116 P CB 0.792 32.126 31.700 -0.610 0.000 0.989 117 F N 0.177 120.202 119.950 0.124 0.000 2.456 117 F HA 0.180 4.693 4.527 -0.023 0.000 0.298 117 F C 0.688 176.542 175.800 0.091 0.000 1.104 117 F CA -0.011 58.045 58.000 0.093 0.000 1.435 117 F CB -0.185 38.848 39.000 0.056 0.000 1.078 117 F HN 0.258 nan 8.300 nan 0.000 0.546 118 S N -1.171 114.077 115.700 -0.754 0.000 2.668 118 S HA 0.329 4.785 4.470 -0.022 0.000 0.277 118 S C -0.180 174.303 174.600 -0.196 0.000 1.170 118 S CA -0.749 57.184 58.200 -0.445 0.000 0.994 118 S CB 0.379 63.169 63.200 -0.683 0.000 1.051 118 S HN 0.219 nan 8.310 nan 0.000 0.484 119 Y N 3.942 124.219 120.300 -0.039 0.000 2.200 119 Y HA 0.110 4.647 4.550 -0.021 0.000 0.290 119 Y C -0.775 175.139 175.900 0.023 0.000 1.137 119 Y CA 1.514 59.630 58.100 0.026 0.000 1.163 119 Y CB -1.403 37.063 38.460 0.010 0.000 0.988 119 Y HN 0.533 nan 8.280 nan 0.000 0.518 120 P HA -0.205 nan 4.420 nan 0.000 0.216 120 P C 1.505 178.782 177.300 -0.039 0.000 1.150 120 P CA 1.394 64.519 63.100 0.041 0.000 0.837 120 P CB -0.244 31.476 31.700 0.032 0.000 0.786 121 F N -0.340 119.473 119.950 -0.229 0.000 2.043 121 F HA -0.254 4.260 4.527 -0.022 0.000 0.297 121 F C 2.014 177.545 175.800 -0.448 0.000 1.121 121 F CA 1.807 59.572 58.000 -0.391 0.000 1.199 121 F CB -1.048 37.584 39.000 -0.613 0.000 0.968 121 F HN -0.114 nan 8.300 nan 0.000 0.478 122 Y N -0.367 119.831 120.300 -0.169 0.000 2.475 122 Y HA 0.015 4.551 4.550 -0.024 0.000 0.289 122 Y C 2.504 178.354 175.900 -0.085 0.000 1.121 122 Y CA 0.956 58.971 58.100 -0.142 0.000 1.257 122 Y CB -0.668 37.721 38.460 -0.119 0.000 1.026 122 Y HN 0.040 nan 8.280 nan 0.000 0.555 123 R N 1.662 122.196 120.500 0.057 0.000 2.127 123 R HA -0.256 4.071 4.340 -0.022 0.000 0.238 123 R C 2.135 178.383 176.300 -0.088 0.000 1.134 123 R CA 1.947 58.073 56.100 0.043 0.000 0.975 123 R CB -0.304 30.020 30.300 0.039 0.000 0.865 123 R HN 0.585 nan 8.270 nan 0.000 0.447 124 Q N -0.713 118.897 119.800 -0.317 0.000 2.291 124 Q HA -0.197 4.130 4.340 -0.022 0.000 0.206 124 Q C 0.575 176.295 176.000 -0.466 0.000 0.976 124 Q CA 1.515 57.061 55.803 -0.428 0.000 0.875 124 Q CB -0.213 28.134 28.738 -0.653 0.000 0.927 124 Q HN 0.632 nan 8.270 nan 0.000 0.450 125 Y N -0.476 119.703 120.300 -0.202 0.000 2.468 125 Y HA 0.360 4.898 4.550 -0.020 0.000 0.268 125 Y C 1.357 177.237 175.900 -0.035 0.000 1.177 125 Y CA -0.161 57.751 58.100 -0.313 0.000 1.265 125 Y CB 1.120 39.408 38.460 -0.285 0.000 1.103 125 Y HN 0.347 nan 8.280 nan 0.000 0.522 126 G N -1.086 107.773 108.800 0.098 0.000 2.184 126 G HA2 -0.273 3.674 3.960 -0.022 0.000 0.206 126 G HA3 -0.273 3.674 3.960 -0.022 0.000 0.206 126 G C -0.255 174.592 174.900 -0.087 0.000 0.995 126 G CA -0.673 44.419 45.100 -0.013 0.000 0.651 126 G HN 0.259 nan 8.290 nan 0.000 0.511 127 Y N 0.698 121.025 120.300 0.044 0.000 2.301 127 Y HA 0.638 5.174 4.550 -0.024 0.000 0.328 127 Y C 0.712 176.624 175.900 0.019 0.000 1.242 127 Y CA 0.150 58.272 58.100 0.036 0.000 1.323 127 Y CB 1.211 39.705 38.460 0.055 0.000 1.266 127 Y HN 0.214 nan 8.280 nan 0.000 0.527 128 E N 0.772 121.053 120.200 0.135 0.000 2.383 128 E HA 0.193 4.530 4.350 -0.022 0.000 0.275 128 E C -1.528 175.078 176.600 0.010 0.000 0.918 128 E CA -0.931 55.510 56.400 0.068 0.000 0.764 128 E CB 1.460 31.161 29.700 0.002 0.000 1.252 128 E HN 0.558 nan 8.360 nan 0.000 0.449 129 Q N 1.000 120.804 119.800 0.006 0.000 2.255 129 Q HA 0.169 4.496 4.340 -0.022 0.000 0.280 129 Q C -0.025 175.598 176.000 -0.629 0.000 1.068 129 Q CA 1.099 56.834 55.803 -0.113 0.000 0.911 129 Q CB 0.338 29.049 28.738 -0.045 0.000 1.157 129 Q HN 0.674 nan 8.270 nan 0.000 0.380 130 T N 1.231 115.340 114.554 -0.741 0.000 3.192 130 T HA 0.329 4.666 4.350 -0.022 0.000 0.295 130 T C -0.404 173.630 174.700 -1.110 0.000 0.947 130 T CA -0.350 61.000 62.100 -1.249 0.000 0.916 130 T CB 0.118 68.517 68.868 -0.783 0.000 1.169 130 T HN 0.353 nan 8.240 nan 0.000 0.540 131 F N 0.836 120.623 119.950 -0.273 0.000 2.578 131 F HA 0.734 5.247 4.527 -0.024 0.000 0.311 131 F C -0.050 175.880 175.800 0.218 0.000 1.094 131 F CA -0.952 57.081 58.000 0.055 0.000 0.923 131 F CB 2.255 41.273 39.000 0.029 0.000 1.230 131 F HN -0.001 nan 8.300 nan 0.000 0.450 132 E N 1.125 121.621 120.200 0.493 0.000 2.369 132 E HA 0.489 4.826 4.350 -0.022 0.000 0.270 132 E C -1.464 175.292 176.600 0.260 0.000 0.909 132 E CA -1.127 55.496 56.400 0.371 0.000 0.775 132 E CB 2.790 32.717 29.700 0.378 0.000 1.270 132 E HN 0.521 nan 8.360 nan 0.000 0.445 133 Q N 0.312 120.148 119.800 0.059 0.000 2.345 133 Q HA 0.689 5.015 4.340 -0.022 0.000 0.268 133 Q C -1.316 174.578 176.000 -0.177 0.000 1.054 133 Q CA -0.991 54.756 55.803 -0.093 0.000 0.835 133 Q CB 2.275 30.840 28.738 -0.288 0.000 1.339 133 Q HN 0.526 nan 8.270 nan 0.000 0.447 134 A N 1.631 124.313 122.820 -0.230 0.000 2.292 134 A HA 0.364 4.670 4.320 -0.022 0.000 0.319 134 A C -0.798 176.462 177.584 -0.540 0.000 1.206 134 A CA -0.399 51.348 52.037 -0.484 0.000 0.835 134 A CB 0.719 19.435 19.000 -0.473 0.000 1.164 134 A HN 0.732 nan 8.150 nan 0.000 0.505 135 E N 2.433 122.322 120.200 -0.518 0.000 2.113 135 E HA 0.466 4.803 4.350 -0.022 0.000 0.273 135 E C -1.725 174.637 176.600 -0.398 0.000 0.924 135 E CA -0.303 55.884 56.400 -0.354 0.000 0.764 135 E CB 0.603 30.222 29.700 -0.135 0.000 1.104 135 E HN 0.627 nan 8.360 nan 0.000 0.406 136 Y N 2.407 122.695 120.300 -0.019 0.000 2.331 136 Y HA 0.321 4.857 4.550 -0.022 0.000 0.338 136 Y C 0.052 176.086 175.900 0.222 0.000 0.992 136 Y CA -0.637 57.529 58.100 0.111 0.000 1.121 136 Y CB 2.147 40.726 38.460 0.198 0.000 1.184 136 Y HN 0.303 nan 8.280 nan 0.000 0.469 137 T N 5.568 120.356 114.554 0.389 0.000 2.812 137 T HA 0.583 4.919 4.350 -0.022 0.000 0.282 137 T C -1.135 173.769 174.700 0.340 0.000 0.990 137 T CA -0.566 61.775 62.100 0.401 0.000 0.960 137 T CB 1.065 70.124 68.868 0.318 0.000 0.948 137 T HN 0.576 nan 8.240 nan 0.000 0.438 138 I N 2.563 123.362 120.570 0.382 0.000 2.534 138 I HA 0.444 4.600 4.170 -0.022 0.000 0.288 138 I C -0.570 175.760 176.117 0.357 0.000 1.077 138 I CA -0.923 60.578 61.300 0.334 0.000 1.051 138 I CB 1.435 39.636 38.000 0.335 0.000 1.234 138 I HN 0.445 nan 8.210 nan 0.000 0.425 139 K N 4.044 124.595 120.400 0.251 0.000 2.469 139 K HA 0.011 4.317 4.320 -0.022 0.000 0.274 139 K C 1.090 177.875 176.600 0.309 0.000 0.983 139 K CA 0.320 56.741 56.287 0.222 0.000 0.974 139 K CB 0.723 33.311 32.500 0.146 0.000 0.913 139 K HN 0.670 nan 8.250 nan 0.000 0.493 140 T N 2.249 116.978 114.554 0.291 0.000 2.737 140 T HA -0.164 4.173 4.350 -0.022 0.000 0.269 140 T C 1.037 175.919 174.700 0.305 0.000 1.040 140 T CA 1.845 64.176 62.100 0.384 0.000 1.142 140 T CB -0.041 68.931 68.868 0.172 0.000 0.861 140 T HN 0.581 nan 8.240 nan 0.000 0.456 141 E N 1.012 121.325 120.200 0.188 0.000 2.204 141 E HA -0.051 4.286 4.350 -0.022 0.000 0.194 141 E C 1.722 178.395 176.600 0.122 0.000 0.989 141 E CA 1.139 57.617 56.400 0.131 0.000 0.824 141 E CB -0.083 29.670 29.700 0.087 0.000 0.756 141 E HN 0.550 nan 8.360 nan 0.000 0.477 142 D N -0.664 119.819 120.400 0.138 0.000 2.350 142 D HA -0.066 4.561 4.640 -0.022 0.000 0.213 142 D C -0.136 176.189 176.300 0.042 0.000 1.031 142 D CA -0.048 53.998 54.000 0.077 0.000 0.861 142 D CB -0.102 40.742 40.800 0.073 0.000 0.926 142 D HN 0.203 nan 8.370 nan 0.000 0.520 143 W N 4.628 125.891 121.300 -0.062 0.000 2.322 143 W HA 0.075 4.722 4.660 -0.023 0.000 0.328 143 W C -2.156 174.262 176.519 -0.168 0.000 1.395 143 W CA -1.073 56.136 57.345 -0.226 0.000 1.267 143 W CB 0.424 29.578 29.460 -0.510 0.000 1.259 143 W HN -0.061 nan 8.180 nan 0.000 0.560 144 P HA 0.109 nan 4.420 nan 0.000 0.272 144 P C -0.582 176.660 177.300 -0.096 0.000 1.223 144 P CA 0.194 63.123 63.100 -0.284 0.000 0.784 144 P CB 0.656 32.128 31.700 -0.380 0.000 0.923 145 R N 0.711 121.182 120.500 -0.048 0.000 2.401 145 R HA 0.362 4.689 4.340 -0.022 0.000 0.299 145 R C -0.485 175.789 176.300 -0.044 0.000 1.064 145 R CA -0.459 55.631 56.100 -0.017 0.000 1.000 145 R CB 0.328 30.617 30.300 -0.018 0.000 0.973 145 R HN 0.271 nan 8.270 nan 0.000 0.438 146 V N 4.335 124.230 119.914 -0.032 0.000 2.407 146 V HA 0.174 4.281 4.120 -0.022 0.000 0.291 146 V C 0.292 176.362 176.094 -0.039 0.000 1.018 146 V CA -0.989 61.277 62.300 -0.056 0.000 0.842 146 V CB 1.567 33.343 31.823 -0.079 0.000 0.996 146 V HN 0.671 nan 8.190 nan 0.000 0.426 147 K N 3.406 123.786 120.400 -0.035 0.000 2.559 147 K HA 0.102 4.408 4.320 -0.022 0.000 0.279 147 K C 0.404 176.993 176.600 -0.017 0.000 0.967 147 K CA 0.115 56.390 56.287 -0.021 0.000 1.000 147 K CB 0.576 33.067 32.500 -0.015 0.000 0.890 147 K HN 0.550 nan 8.250 nan 0.000 0.501 148 R N 0.664 121.162 120.500 -0.003 0.000 2.738 148 R HA 0.207 4.534 4.340 -0.022 0.000 0.268 148 R C -0.151 176.161 176.300 0.019 0.000 1.062 148 R CA -0.256 55.851 56.100 0.012 0.000 1.158 148 R CB 0.588 30.901 30.300 0.022 0.000 1.046 148 R HN 0.242 nan 8.270 nan 0.000 0.493 149 V N 2.211 122.148 119.914 0.039 0.000 3.114 149 V HA 0.332 4.439 4.120 -0.022 0.000 0.308 149 V C -2.160 173.996 176.094 0.103 0.000 1.168 149 V CA -1.893 60.438 62.300 0.050 0.000 1.015 149 V CB 2.432 34.264 31.823 0.015 0.000 1.050 149 V HN 0.704 nan 8.190 nan 0.000 0.433 150 P HA 0.548 nan 4.420 nan 0.000 0.271 150 P C 0.069 177.507 177.300 0.230 0.000 1.233 150 P CA 1.223 64.404 63.100 0.135 0.000 0.789 150 P CB 0.244 32.009 31.700 0.108 0.000 0.951 151 G N -0.326 108.564 108.800 0.149 0.000 2.631 151 G HA2 0.227 4.173 3.960 -0.022 0.000 0.504 151 G HA3 0.227 4.173 3.960 -0.022 0.000 0.504 151 G C -0.720 174.211 174.900 0.052 0.000 1.306 151 G CA -0.346 44.788 45.100 0.057 0.000 0.897 151 G HN 0.950 nan 8.290 nan 0.000 0.520 152 T N -2.245 112.264 114.554 -0.075 0.000 2.906 152 T HA 0.758 5.095 4.350 -0.022 0.000 0.295 152 T C -0.281 174.463 174.700 0.074 0.000 1.061 152 T CA -0.687 61.435 62.100 0.036 0.000 1.000 152 T CB 1.977 70.856 68.868 0.018 0.000 1.103 152 T HN 1.018 nan 8.240 nan 0.000 0.486 153 I N 1.646 122.293 120.570 0.128 0.000 2.441 153 I HA 0.484 4.641 4.170 -0.022 0.000 0.295 153 I C -0.032 176.138 176.117 0.088 0.000 0.994 153 I CA -0.947 60.403 61.300 0.083 0.000 1.144 153 I CB 1.867 39.854 38.000 -0.020 0.000 1.314 153 I HN 0.510 nan 8.210 nan 0.000 0.445 154 K N 6.151 126.615 120.400 0.106 0.000 2.426 154 K HA 0.515 4.822 4.320 -0.022 0.000 0.254 154 K C -0.900 175.758 176.600 0.095 0.000 0.936 154 K CA -0.926 55.436 56.287 0.124 0.000 0.801 154 K CB 2.274 34.883 32.500 0.183 0.000 1.139 154 K HN 0.484 nan 8.250 nan 0.000 0.424 155 R N 1.509 122.090 120.500 0.135 0.000 2.449 155 R HA 0.144 4.471 4.340 -0.022 0.000 0.296 155 R C 0.212 176.589 176.300 0.129 0.000 1.047 155 R CA -0.282 55.923 56.100 0.175 0.000 1.018 155 R CB 0.379 30.830 30.300 0.251 0.000 0.962 155 R HN 0.404 nan 8.270 nan 0.000 0.428 156 V N -0.445 119.538 119.914 0.115 0.000 2.914 156 V HA 0.536 4.643 4.120 -0.022 0.000 0.314 156 V C 0.247 176.389 176.094 0.080 0.000 1.084 156 V CA -1.200 61.149 62.300 0.082 0.000 0.963 156 V CB 1.942 33.800 31.823 0.058 0.000 1.025 156 V HN 0.856 nan 8.190 nan 0.000 0.432 157 S N 2.708 118.447 115.700 0.065 0.000 2.589 157 S HA 0.098 4.555 4.470 -0.022 0.000 0.265 157 S C 0.767 175.432 174.600 0.109 0.000 1.342 157 S CA 0.002 58.256 58.200 0.089 0.000 1.005 157 S CB 0.525 63.767 63.200 0.070 0.000 0.909 157 S HN 1.125 nan 8.310 nan 0.000 0.555 158 W N 1.372 122.659 121.300 -0.022 0.000 2.355 158 W HA -0.175 4.471 4.660 -0.023 0.000 0.309 158 W C 2.266 178.775 176.519 -0.017 0.000 1.206 158 W CA 1.510 58.837 57.345 -0.031 0.000 1.284 158 W CB -0.905 28.531 29.460 -0.041 0.000 1.145 158 W HN 0.910 nan 8.180 nan 0.000 0.502 159 A N 1.417 124.245 122.820 0.013 0.000 1.903 159 A HA -0.324 3.983 4.320 -0.022 0.000 0.219 159 A C 1.307 178.795 177.584 -0.159 0.000 1.191 159 A CA 2.701 54.701 52.037 -0.062 0.000 0.638 159 A CB -1.205 17.813 19.000 0.030 0.000 0.823 159 A HN 0.505 nan 8.150 nan 0.000 0.451 160 D N -2.602 117.727 120.400 -0.118 0.000 2.440 160 D HA 0.306 4.933 4.640 -0.022 0.000 0.216 160 D C 1.028 177.247 176.300 -0.134 0.000 1.150 160 D CA 0.690 54.627 54.000 -0.106 0.000 0.832 160 D CB -0.313 40.462 40.800 -0.042 0.000 0.992 160 D HN 0.262 nan 8.370 nan 0.000 0.502 161 G N 0.853 109.514 108.800 -0.233 0.000 2.944 161 G HA2 -0.064 3.883 3.960 -0.022 0.000 0.220 161 G HA3 -0.064 3.883 3.960 -0.022 0.000 0.220 161 G C 1.333 175.943 174.900 -0.483 0.000 1.100 161 G CA 0.010 44.955 45.100 -0.258 0.000 0.780 161 G HN 0.364 nan 8.290 nan 0.000 0.539 162 K N 0.622 120.538 120.400 -0.807 0.000 2.147 162 K HA 0.031 4.337 4.320 -0.022 0.000 0.205 162 K C 1.728 178.036 176.600 -0.487 0.000 1.049 162 K CA 1.263 56.923 56.287 -1.046 0.000 0.936 162 K CB 0.000 31.693 32.500 -1.346 0.000 0.722 162 K HN 0.045 nan 8.250 nan 0.000 0.446 163 E N 1.052 121.070 120.200 -0.303 0.000 2.122 163 E HA -0.046 4.290 4.350 -0.022 0.000 0.190 163 E C 2.282 178.818 176.600 -0.108 0.000 0.977 163 E CA 0.954 57.263 56.400 -0.152 0.000 0.820 163 E CB -0.061 29.583 29.700 -0.093 0.000 0.770 163 E HN 0.228 nan 8.360 nan 0.000 0.462 164 V N 1.468 121.314 119.914 -0.114 0.000 2.358 164 V HA -0.212 3.895 4.120 -0.022 0.000 0.246 164 V C 2.453 178.485 176.094 -0.103 0.000 1.047 164 V CA 1.262 63.522 62.300 -0.066 0.000 1.035 164 V CB -0.511 31.286 31.823 -0.043 0.000 0.658 164 V HN 0.149 nan 8.190 nan 0.000 0.452 165 I N -0.052 120.370 120.570 -0.246 0.000 2.179 165 I HA -0.277 3.880 4.170 -0.022 0.000 0.242 165 I C 2.651 178.643 176.117 -0.208 0.000 1.088 165 I CA 1.864 62.898 61.300 -0.443 0.000 1.357 165 I CB -0.359 37.249 38.000 -0.652 0.000 1.051 165 I HN 0.249 nan 8.210 nan 0.000 0.409 166 K N 0.569 120.898 120.400 -0.118 0.000 2.074 166 K HA -0.241 4.066 4.320 -0.022 0.000 0.209 166 K C 1.539 178.227 176.600 0.146 0.000 1.048 166 K CA 1.919 58.228 56.287 0.036 0.000 0.926 166 K CB -0.002 32.507 32.500 0.016 0.000 0.713 166 K HN 0.319 nan 8.250 nan 0.000 0.444 167 D N -0.347 120.110 120.400 0.095 0.000 2.271 167 D HA -0.065 4.561 4.640 -0.022 0.000 0.206 167 D C 1.902 178.291 176.300 0.148 0.000 0.967 167 D CA 0.525 54.595 54.000 0.116 0.000 0.867 167 D CB 0.210 41.053 40.800 0.071 0.000 0.960 167 D HN 0.022 nan 8.370 nan 0.000 0.509 168 V N 1.093 121.115 119.914 0.180 0.000 2.295 168 V HA -0.275 3.832 4.120 -0.022 0.000 0.246 168 V C 2.284 178.547 176.094 0.282 0.000 1.049 168 V CA 1.457 63.901 62.300 0.239 0.000 1.024 168 V CB -0.684 31.355 31.823 0.360 0.000 0.648 168 V HN 0.181 nan 8.190 nan 0.000 0.447 169 Y N 0.542 121.023 120.300 0.301 0.000 2.128 169 Y HA -0.250 4.287 4.550 -0.023 0.000 0.284 169 Y C 2.246 178.254 175.900 0.178 0.000 1.154 169 Y CA 1.826 60.088 58.100 0.270 0.000 1.149 169 Y CB -0.312 38.326 38.460 0.296 0.000 0.976 169 Y HN 0.130 nan 8.280 nan 0.000 0.505 170 L N 0.198 121.544 121.223 0.205 0.000 2.046 170 L HA -0.223 4.104 4.340 -0.022 0.000 0.208 170 L C 2.552 179.490 176.870 0.113 0.000 1.077 170 L CA 2.025 56.939 54.840 0.123 0.000 0.747 170 L CB -0.609 41.566 42.059 0.195 0.000 0.896 170 L HN 0.347 nan 8.230 nan 0.000 0.432 171 E N 0.798 121.059 120.200 0.101 0.000 2.208 171 E HA -0.171 4.165 4.350 -0.022 0.000 0.193 171 E C 0.865 177.446 176.600 -0.031 0.000 0.988 171 E CA 0.071 56.534 56.400 0.106 0.000 0.828 171 E CB 0.135 29.879 29.700 0.073 0.000 0.763 171 E HN 0.454 nan 8.360 nan 0.000 0.478 172 N N 0.073 118.675 118.700 -0.163 0.000 2.518 172 N HA -0.069 4.658 4.740 -0.022 0.000 0.266 172 N C 0.591 175.726 175.510 -0.625 0.000 1.196 172 N CA 0.144 53.004 53.050 -0.317 0.000 0.947 172 N CB 1.042 39.376 38.487 -0.256 0.000 1.098 172 N HN -0.021 nan 8.380 nan 0.000 0.450 173 Q N 1.117 120.543 119.800 -0.624 0.000 2.291 173 Q HA -0.011 4.316 4.340 -0.022 0.000 0.205 173 Q C 1.097 176.799 176.000 -0.496 0.000 0.970 173 Q CA 0.820 56.176 55.803 -0.746 0.000 0.876 173 Q CB 0.164 28.659 28.738 -0.404 0.000 0.935 173 Q HN 0.617 nan 8.270 nan 0.000 0.455 174 R N -0.406 119.873 120.500 -0.368 0.000 2.237 174 R HA -0.014 4.313 4.340 -0.022 0.000 0.219 174 R C 1.633 177.828 176.300 -0.175 0.000 1.080 174 R CA 0.927 56.891 56.100 -0.227 0.000 0.995 174 R CB -0.090 30.093 30.300 -0.195 0.000 0.875 174 R HN 0.104 nan 8.270 nan 0.000 0.462 175 A N 0.423 123.081 122.820 -0.270 0.000 2.238 175 A HA -0.030 4.277 4.320 -0.022 0.000 0.208 175 A C 0.859 178.513 177.584 0.118 0.000 1.177 175 A CA 0.383 52.317 52.037 -0.173 0.000 0.804 175 A CB -0.405 18.273 19.000 -0.536 0.000 0.823 175 A HN 0.398 nan 8.150 nan 0.000 0.482 176 H N -1.132 117.833 119.070 -0.176 0.000 2.542 176 H HA 0.234 4.777 4.556 -0.021 0.000 0.283 176 H C 0.006 175.106 175.328 -0.380 0.000 1.059 176 H CA -0.025 55.894 56.048 -0.216 0.000 1.162 176 H CB 0.575 30.197 29.762 -0.234 0.000 1.539 176 H HN 0.358 nan 8.280 nan 0.000 0.543 177 S N 0.352 115.968 115.700 -0.141 0.000 2.457 177 S HA 0.279 4.736 4.470 -0.022 0.000 0.237 177 S C 1.080 175.830 174.600 0.249 0.000 1.213 177 S CA 0.288 58.356 58.200 -0.220 0.000 1.218 177 S CB 0.722 63.861 63.200 -0.102 0.000 0.922 177 S HN 0.735 nan 8.310 nan 0.000 0.488 178 G N 0.923 109.976 108.800 0.420 0.000 2.144 178 G HA2 -0.151 3.795 3.960 -0.022 0.000 0.218 178 G HA3 -0.151 3.795 3.960 -0.022 0.000 0.218 178 G C 0.322 175.541 174.900 0.532 0.000 0.988 178 G CA -0.442 45.071 45.100 0.689 0.000 0.659 178 G HN 0.846 nan 8.290 nan 0.000 0.522 179 G N -0.582 108.425 108.800 0.345 0.000 2.503 179 G HA2 0.570 4.516 3.960 -0.022 0.000 0.257 179 G HA3 0.570 4.516 3.960 -0.022 0.000 0.257 179 G C 0.500 175.574 174.900 0.288 0.000 1.214 179 G CA 0.123 45.402 45.100 0.298 0.000 0.839 179 G HN 0.939 nan 8.290 nan 0.000 0.559 180 V N 2.611 122.679 119.914 0.257 0.000 2.540 180 V HA -0.030 4.077 4.120 -0.022 0.000 0.297 180 V C 0.910 177.165 176.094 0.270 0.000 1.024 180 V CA 0.222 62.613 62.300 0.151 0.000 1.105 180 V CB 0.600 32.395 31.823 -0.046 0.000 0.938 180 V HN 0.479 nan 8.190 nan 0.000 0.482 181 I N 6.958 127.653 120.570 0.208 0.000 2.357 181 I HA 0.146 4.302 4.170 -0.022 0.000 0.300 181 I C 0.971 177.204 176.117 0.193 0.000 1.159 181 I CA 0.107 61.535 61.300 0.213 0.000 1.339 181 I CB -0.334 37.748 38.000 0.136 0.000 1.458 181 I HN 0.574 nan 8.210 nan 0.000 0.577 182 R N 5.121 125.760 120.500 0.231 0.000 2.543 182 R HA 0.243 4.570 4.340 -0.022 0.000 0.277 182 R C -0.030 176.347 176.300 0.128 0.000 1.074 182 R CA -0.193 56.012 56.100 0.176 0.000 1.076 182 R CB 0.858 31.236 30.300 0.131 0.000 0.993 182 R HN 0.540 nan 8.270 nan 0.000 0.459 183 E N 0.377 120.615 120.200 0.064 0.000 2.250 183 E HA 0.108 4.445 4.350 -0.022 0.000 0.265 183 E C 0.566 177.169 176.600 0.006 0.000 1.033 183 E CA -0.545 55.876 56.400 0.035 0.000 0.888 183 E CB 1.339 31.058 29.700 0.031 0.000 1.151 183 E HN 0.476 nan 8.360 nan 0.000 0.412 184 T N 1.243 115.847 114.554 0.083 0.000 2.684 184 T HA -0.167 4.169 4.350 -0.022 0.000 0.267 184 T C 1.542 176.330 174.700 0.147 0.000 1.036 184 T CA 1.568 63.737 62.100 0.115 0.000 1.148 184 T CB -0.221 68.731 68.868 0.141 0.000 0.863 184 T HN 0.672 nan 8.240 nan 0.000 0.436 185 W N 0.314 121.681 121.300 0.111 0.000 2.363 185 W HA -0.099 4.547 4.660 -0.022 0.000 0.296 185 W C 2.184 178.796 176.519 0.156 0.000 1.212 185 W CA 0.383 57.781 57.345 0.090 0.000 1.260 185 W CB -1.141 28.276 29.460 -0.071 0.000 1.131 185 W HN 0.376 nan 8.180 nan 0.000 0.530 186 W N 1.793 122.402 121.300 -1.151 0.000 2.409 186 W HA -0.168 4.481 4.660 -0.018 0.000 0.299 186 W C 2.109 178.439 176.519 -0.316 0.000 1.203 186 W CA 0.861 57.510 57.345 -1.159 0.000 1.298 186 W CB -0.683 28.069 29.460 -1.181 0.000 1.127 186 W HN -0.160 nan 8.180 nan 0.000 0.528 187 L N 1.812 122.895 121.223 -0.232 0.000 2.046 187 L HA -0.236 4.090 4.340 -0.022 0.000 0.208 187 L C 2.086 178.944 176.870 -0.020 0.000 1.077 187 L CA 2.227 57.007 54.840 -0.100 0.000 0.747 187 L CB -1.207 40.929 42.059 0.128 0.000 0.896 187 L HN -0.138 nan 8.230 nan 0.000 0.432 188 D N -1.861 118.608 120.400 0.115 0.000 2.097 188 D HA -0.275 4.351 4.640 -0.022 0.000 0.195 188 D C 2.036 178.265 176.300 -0.117 0.000 0.989 188 D CA 1.521 55.562 54.000 0.069 0.000 0.827 188 D CB -0.400 40.539 40.800 0.231 0.000 0.966 188 D HN 0.398 nan 8.370 nan 0.000 0.456 189 Y N 1.607 121.791 120.300 -0.193 0.000 2.128 189 Y HA -0.273 4.265 4.550 -0.019 0.000 0.284 189 Y C 2.529 178.191 175.900 -0.397 0.000 1.154 189 Y CA 2.662 60.638 58.100 -0.206 0.000 1.149 189 Y CB -0.390 37.990 38.460 -0.133 0.000 0.976 189 Y HN 0.087 nan 8.280 nan 0.000 0.505 190 T N -2.533 111.689 114.554 -0.554 0.000 2.976 190 T HA -0.003 4.334 4.350 -0.022 0.000 0.257 190 T C 1.551 175.984 174.700 -0.445 0.000 1.051 190 T CA 1.275 63.035 62.100 -0.566 0.000 1.141 190 T CB -0.490 67.964 68.868 -0.690 0.000 0.881 190 T HN 0.339 nan 8.240 nan 0.000 0.461 191 L N 0.279 121.200 121.223 -0.502 0.000 2.766 191 L HA 0.458 4.785 4.340 -0.022 0.000 0.242 191 L C 0.417 176.738 176.870 -0.914 0.000 1.136 191 L CA -0.161 54.331 54.840 -0.580 0.000 0.933 191 L CB 0.328 42.096 42.059 -0.484 0.000 1.241 191 L HN 0.151 nan 8.230 nan 0.000 0.522 192 N N 1.336 119.507 118.700 -0.882 0.000 2.841 192 N HA 0.213 4.940 4.740 -0.022 0.000 0.257 192 N C -0.925 174.307 175.510 -0.462 0.000 1.396 192 N CA -0.216 52.310 53.050 -0.873 0.000 0.823 192 N CB 0.538 38.303 38.487 -1.203 0.000 1.162 192 N HN -0.045 nan 8.380 nan 0.000 0.503 193 R N 1.169 121.455 120.500 -0.356 0.000 2.393 193 R HA 0.467 4.794 4.340 -0.022 0.000 0.315 193 R C 0.585 176.779 176.300 -0.177 0.000 0.952 193 R CA -0.453 55.501 56.100 -0.243 0.000 0.842 193 R CB 1.616 31.778 30.300 -0.229 0.000 1.163 193 R HN 0.390 nan 8.270 nan 0.000 0.450 194 A N 2.000 124.744 122.820 -0.126 0.000 1.972 194 A HA -0.181 4.126 4.320 -0.022 0.000 0.219 194 A C 1.986 179.522 177.584 -0.079 0.000 1.169 194 A CA 2.023 54.005 52.037 -0.090 0.000 0.635 194 A CB -0.218 18.747 19.000 -0.058 0.000 0.810 194 A HN 0.774 nan 8.150 nan 0.000 0.446 195 S N -1.265 114.389 115.700 -0.076 0.000 2.428 195 S HA -0.000 4.456 4.470 -0.022 0.000 0.230 195 S C 1.025 175.582 174.600 -0.072 0.000 1.014 195 S CA 1.229 59.393 58.200 -0.060 0.000 0.957 195 S CB -0.057 63.115 63.200 -0.046 0.000 0.784 195 S HN 0.459 nan 8.310 nan 0.000 0.499 196 K N 2.481 122.823 120.400 -0.098 0.000 2.920 196 K HA 0.343 4.650 4.320 -0.022 0.000 0.175 196 K C -3.116 173.402 176.600 -0.137 0.000 1.099 196 K CA -1.932 54.292 56.287 -0.105 0.000 0.939 196 K CB 1.312 33.753 32.500 -0.098 0.000 1.148 196 K HN 0.235 nan 8.250 nan 0.000 0.613 197 P HA 0.190 nan 4.420 nan 0.000 0.279 197 P C -0.921 176.273 177.300 -0.177 0.000 1.239 197 P CA -0.398 62.610 63.100 -0.155 0.000 0.789 197 P CB 0.914 32.542 31.700 -0.120 0.000 0.933 198 N N 1.894 120.471 118.700 -0.206 0.000 2.459 198 N HA 0.336 5.063 4.740 -0.022 0.000 0.288 198 N C -0.165 175.180 175.510 -0.276 0.000 1.186 198 N CA -0.457 52.448 53.050 -0.242 0.000 0.917 198 N CB 0.867 39.228 38.487 -0.210 0.000 1.219 198 N HN 0.376 nan 8.380 nan 0.000 0.525 199 N N 0.553 118.958 118.700 -0.492 0.000 2.432 199 N HA 0.421 5.148 4.740 -0.022 0.000 0.292 199 N C -0.971 174.279 175.510 -0.434 0.000 1.193 199 N CA -0.375 52.355 53.050 -0.534 0.000 0.878 199 N CB 1.385 39.372 38.487 -0.833 0.000 1.252 199 N HN 0.355 nan 8.380 nan 0.000 0.520 200 Q N 0.166 119.932 119.800 -0.057 0.000 2.331 200 Q HA 0.782 5.109 4.340 -0.022 0.000 0.272 200 Q C -1.365 174.790 176.000 0.259 0.000 1.062 200 Q CA -0.687 55.223 55.803 0.178 0.000 0.806 200 Q CB 2.464 31.307 28.738 0.175 0.000 1.312 200 Q HN 0.679 nan 8.270 nan 0.000 0.431 201 A N 2.506 125.481 122.820 0.258 0.000 2.393 201 A HA 0.839 5.146 4.320 -0.022 0.000 0.306 201 A C -1.187 176.405 177.584 0.013 0.000 1.050 201 A CA -0.554 51.500 52.037 0.028 0.000 0.724 201 A CB 0.866 19.613 19.000 -0.421 0.000 1.248 201 A HN 0.717 nan 8.150 nan 0.000 0.424 202 I N 1.799 122.362 120.570 -0.011 0.000 2.404 202 I HA 0.283 4.440 4.170 -0.022 0.000 0.293 202 I C -0.752 175.291 176.117 -0.123 0.000 0.992 202 I CA -0.633 60.630 61.300 -0.062 0.000 1.149 202 I CB 1.635 39.519 38.000 -0.192 0.000 1.315 202 I HN 0.739 nan 8.210 nan 0.000 0.446 203 Y N 6.962 127.145 120.300 -0.195 0.000 2.313 203 Y HA 0.418 4.955 4.550 -0.022 0.000 0.332 203 Y C -1.354 174.391 175.900 -0.257 0.000 1.071 203 Y CA -0.371 57.649 58.100 -0.132 0.000 1.169 203 Y CB 0.506 38.948 38.460 -0.031 0.000 1.192 203 Y HN 0.342 nan 8.280 nan 0.000 0.487 204 Y N 3.934 123.782 120.300 -0.752 0.000 2.352 204 Y HA 0.336 4.873 4.550 -0.022 0.000 0.339 204 Y C 0.554 175.905 175.900 -0.915 0.000 0.992 204 Y CA -0.826 56.920 58.100 -0.590 0.000 1.100 204 Y CB 1.484 39.770 38.460 -0.289 0.000 1.192 204 Y HN 0.732 nan 8.280 nan 0.000 0.458 205 S N 0.413 115.919 115.700 -0.323 0.000 2.572 205 S HA -0.046 4.410 4.470 -0.022 0.000 0.267 205 S C 1.376 175.950 174.600 -0.044 0.000 1.361 205 S CA -0.036 58.113 58.200 -0.086 0.000 1.009 205 S CB 0.762 64.010 63.200 0.081 0.000 0.888 205 S HN 0.853 nan 8.310 nan 0.000 0.553 206 S N 0.604 116.323 115.700 0.032 0.000 2.440 206 S HA -0.135 4.322 4.470 -0.022 0.000 0.238 206 S C 1.305 175.915 174.600 0.018 0.000 1.010 206 S CA 0.978 59.193 58.200 0.026 0.000 0.972 206 S CB -0.641 62.590 63.200 0.051 0.000 0.774 206 S HN 0.771 nan 8.310 nan 0.000 0.501 207 E N 1.297 121.514 120.200 0.029 0.000 2.208 207 E HA 0.120 4.457 4.350 -0.022 0.000 0.193 207 E C 1.700 178.308 176.600 0.014 0.000 0.988 207 E CA 0.842 57.257 56.400 0.024 0.000 0.828 207 E CB -0.752 28.970 29.700 0.037 0.000 0.763 207 E HN 0.777 nan 8.360 nan 0.000 0.478 208 G N 1.127 109.938 108.800 0.017 0.000 2.184 208 G HA2 -0.232 3.715 3.960 -0.022 0.000 0.206 208 G HA3 -0.232 3.715 3.960 -0.022 0.000 0.206 208 G C 0.277 175.249 174.900 0.120 0.000 0.995 208 G CA 0.054 45.164 45.100 0.017 0.000 0.651 208 G HN 0.184 nan 8.290 nan 0.000 0.511 209 K N 1.305 121.774 120.400 0.114 0.000 2.258 209 K HA 0.658 4.965 4.320 -0.022 0.000 0.284 209 K C 0.775 177.448 176.600 0.121 0.000 1.051 209 K CA 0.169 56.533 56.287 0.128 0.000 0.923 209 K CB 0.792 33.345 32.500 0.087 0.000 1.046 209 K HN 0.555 nan 8.250 nan 0.000 0.474 210 A N 4.470 127.346 122.820 0.093 0.000 2.524 210 A HA 0.049 4.356 4.320 -0.022 0.000 0.250 210 A C 0.116 177.701 177.584 0.002 0.000 1.078 210 A CA 0.334 52.277 52.037 -0.156 0.000 0.761 210 A CB 0.023 18.914 19.000 -0.181 0.000 1.012 210 A HN 0.955 nan 8.150 nan 0.000 0.500 211 E N 1.197 121.444 120.200 0.078 0.000 2.715 211 E HA 0.328 4.664 4.350 -0.022 0.000 0.224 211 E C 0.350 177.103 176.600 0.255 0.000 0.962 211 E CA 0.376 56.899 56.400 0.205 0.000 1.145 211 E CB 1.167 31.048 29.700 0.302 0.000 1.083 211 E HN 0.911 nan 8.360 nan 0.000 0.506 212 G N 0.916 109.867 108.800 0.252 0.000 2.616 212 G HA2 0.423 4.369 3.960 -0.022 0.000 0.294 212 G HA3 0.423 4.369 3.960 -0.022 0.000 0.294 212 G C -1.785 173.275 174.900 0.267 0.000 1.489 212 G CA -0.805 44.449 45.100 0.256 0.000 0.836 212 G HN 0.091 nan 8.290 nan 0.000 0.527 213 Y N -1.331 119.107 120.300 0.231 0.000 2.615 213 Y HA 0.843 5.380 4.550 -0.022 0.000 0.341 213 Y C -1.304 174.750 175.900 0.257 0.000 1.089 213 Y CA -1.842 56.359 58.100 0.167 0.000 1.049 213 Y CB 1.995 40.529 38.460 0.124 0.000 1.296 213 Y HN 0.912 nan 8.280 nan 0.000 0.470 214 V N 3.913 123.995 119.914 0.280 0.000 2.588 214 V HA 0.646 4.753 4.120 -0.022 0.000 0.304 214 V C -1.217 175.149 176.094 0.453 0.000 1.042 214 V CA -0.952 61.479 62.300 0.219 0.000 0.877 214 V CB 1.443 33.167 31.823 -0.165 0.000 0.996 214 V HN 0.808 nan 8.190 nan 0.000 0.425 215 I N 8.011 128.853 120.570 0.454 0.000 2.460 215 I HA 0.659 4.816 4.170 -0.022 0.000 0.298 215 I C -0.745 175.543 176.117 0.286 0.000 0.989 215 I CA -0.617 60.892 61.300 0.347 0.000 1.173 215 I CB 1.650 39.824 38.000 0.289 0.000 1.338 215 I HN 0.861 nan 8.210 nan 0.000 0.456 216 Y N 3.762 124.031 120.300 -0.052 0.000 2.677 216 Y HA 0.786 5.323 4.550 -0.022 0.000 0.334 216 Y C -1.343 174.360 175.900 -0.328 0.000 1.196 216 Y CA -1.477 56.464 58.100 -0.266 0.000 1.059 216 Y CB 1.346 39.539 38.460 -0.446 0.000 1.315 216 Y HN 0.630 nan 8.280 nan 0.000 0.455 217 R N 1.618 121.887 120.500 -0.386 0.000 2.663 217 R HA 0.760 5.087 4.340 -0.022 0.000 0.267 217 R C -2.221 173.857 176.300 -0.371 0.000 1.038 217 R CA -0.979 54.906 56.100 -0.359 0.000 0.886 217 R CB 2.129 32.283 30.300 -0.243 0.000 1.249 217 R HN 0.774 nan 8.270 nan 0.000 0.463 218 I N 1.332 121.747 120.570 -0.258 0.000 2.377 218 I HA 0.706 4.863 4.170 -0.022 0.000 0.293 218 I C -0.476 175.570 176.117 -0.120 0.000 0.987 218 I CA -0.794 60.392 61.300 -0.189 0.000 1.185 218 I CB 1.922 39.856 38.000 -0.109 0.000 1.341 218 I HN 0.894 nan 8.210 nan 0.000 0.455 219 A N 4.514 127.277 122.820 -0.095 0.000 2.574 219 A HA 0.736 5.043 4.320 -0.022 0.000 0.297 219 A C 0.228 177.778 177.584 -0.058 0.000 1.062 219 A CA -0.068 51.927 52.037 -0.070 0.000 0.686 219 A CB 1.501 20.460 19.000 -0.068 0.000 1.285 219 A HN 1.409 nan 8.150 nan 0.000 0.403 220 A N 0.211 123.002 122.820 -0.048 0.000 2.748 220 A HA 0.263 4.570 4.320 -0.022 0.000 0.297 220 A C 2.095 179.653 177.584 -0.043 0.000 1.508 220 A CA 2.207 54.219 52.037 -0.042 0.000 0.799 220 A CB -1.742 17.232 19.000 -0.042 0.000 1.011 220 A HN 3.164 nan 8.150 nan 0.000 0.500 221 G N -3.429 105.343 108.800 -0.048 0.000 2.162 221 G HA2 -0.047 3.900 3.960 -0.022 0.000 0.260 221 G HA3 -0.047 3.900 3.960 -0.022 0.000 0.260 221 G C 0.294 175.152 174.900 -0.070 0.000 0.976 221 G CA 0.971 46.040 45.100 -0.052 0.000 0.655 221 G HN 1.862 nan 8.290 nan 0.000 0.533 222 T N 0.297 114.810 114.554 -0.068 0.000 2.807 222 T HA 0.509 4.845 4.350 -0.022 0.000 0.279 222 T C -0.518 174.142 174.700 -0.068 0.000 0.993 222 T CA -0.469 61.594 62.100 -0.063 0.000 0.970 222 T CB 1.591 70.451 68.868 -0.013 0.000 0.950 222 T HN 0.399 nan 8.240 nan 0.000 0.441 223 F N 3.845 123.614 119.950 -0.302 0.000 2.466 223 F HA 0.246 4.760 4.527 -0.022 0.000 0.363 223 F C 0.570 176.345 175.800 -0.043 0.000 1.109 223 F CA -0.402 57.438 58.000 -0.267 0.000 1.161 223 F CB 0.448 39.097 39.000 -0.584 0.000 1.117 223 F HN 0.361 nan 8.300 nan 0.000 0.539 224 E N 7.829 127.950 120.200 -0.133 0.000 2.089 224 E HA 0.180 4.517 4.350 -0.022 0.000 0.284 224 E C -0.135 176.478 176.600 0.022 0.000 1.023 224 E CA -0.274 56.162 56.400 0.060 0.000 0.819 224 E CB 1.318 31.035 29.700 0.029 0.000 1.076 224 E HN 0.639 nan 8.360 nan 0.000 0.396 225 I N 4.008 124.705 120.570 0.210 0.000 2.372 225 I HA -0.059 4.098 4.170 -0.022 0.000 0.298 225 I C 1.570 177.801 176.117 0.190 0.000 1.137 225 I CA -0.155 61.215 61.300 0.115 0.000 1.314 225 I CB 0.438 38.329 38.000 -0.182 0.000 1.444 225 I HN 0.288 nan 8.210 nan 0.000 0.541 226 V N 4.706 124.720 119.914 0.167 0.000 2.379 226 V HA -0.110 3.996 4.120 -0.022 0.000 0.245 226 V C 0.828 177.098 176.094 0.294 0.000 1.044 226 V CA 1.431 63.846 62.300 0.191 0.000 1.036 226 V CB -0.430 31.452 31.823 0.098 0.000 0.664 226 V HN 0.830 nan 8.190 nan 0.000 0.453 227 E N -1.550 118.843 120.200 0.323 0.000 2.347 227 E HA 0.299 4.636 4.350 -0.022 0.000 0.285 227 E C -2.155 174.688 176.600 0.405 0.000 0.925 227 E CA -0.626 56.034 56.400 0.433 0.000 0.779 227 E CB 1.580 31.550 29.700 0.450 0.000 1.233 227 E HN 0.118 nan 8.360 nan 0.000 0.414 228 W N 5.886 127.269 121.300 0.139 0.000 2.802 228 W HA 0.543 5.190 4.660 -0.022 0.000 0.331 228 W C -1.868 174.646 176.519 -0.008 0.000 1.021 228 W CA -0.823 56.486 57.345 -0.060 0.000 1.259 228 W CB 0.897 30.162 29.460 -0.325 0.000 1.323 228 W HN 0.409 nan 8.180 nan 0.000 0.432 229 N N 4.993 123.612 118.700 -0.135 0.000 2.284 229 N HA 0.503 5.230 4.740 -0.022 0.000 0.300 229 N C -1.585 173.816 175.510 -0.181 0.000 1.047 229 N CA -0.292 52.557 53.050 -0.336 0.000 0.821 229 N CB 2.149 40.424 38.487 -0.355 0.000 1.337 229 N HN 0.345 nan 8.380 nan 0.000 0.482 230 Y N -1.131 119.086 120.300 -0.139 0.000 2.441 230 Y HA 0.462 4.999 4.550 -0.021 0.000 0.334 230 Y C 0.010 175.879 175.900 -0.050 0.000 1.061 230 Y CA -0.903 57.169 58.100 -0.047 0.000 1.032 230 Y CB 0.926 39.383 38.460 -0.006 0.000 1.266 230 Y HN 0.294 nan 8.280 nan 0.000 0.441 231 L N 1.947 123.250 121.223 0.134 0.000 2.477 231 L HA 0.196 4.523 4.340 -0.022 0.000 0.220 231 L C 0.467 177.395 176.870 0.096 0.000 1.106 231 L CA 0.764 55.641 54.840 0.061 0.000 0.851 231 L CB 0.216 42.314 42.059 0.065 0.000 0.994 231 L HN 0.901 nan 8.230 nan 0.000 0.462 232 T N -5.756 108.890 114.554 0.153 0.000 2.906 232 T HA 0.208 4.545 4.350 -0.022 0.000 0.295 232 T C 0.395 175.154 174.700 0.098 0.000 1.075 232 T CA -0.650 61.516 62.100 0.109 0.000 1.005 232 T CB 2.125 71.058 68.868 0.110 0.000 1.136 232 T HN -0.154 nan 8.240 nan 0.000 0.498 233 N N 0.446 119.174 118.700 0.047 0.000 2.166 233 N HA -0.139 4.588 4.740 -0.022 0.000 0.186 233 N C 1.942 177.471 175.510 0.032 0.000 1.019 233 N CA 2.243 55.314 53.050 0.035 0.000 0.856 233 N CB -0.407 38.088 38.487 0.013 0.000 0.993 233 N HN 0.761 nan 8.380 nan 0.000 0.426 234 T N -1.523 113.026 114.554 -0.007 0.000 2.904 234 T HA 0.079 4.415 4.350 -0.022 0.000 0.267 234 T C 1.696 176.185 174.700 -0.351 0.000 1.059 234 T CA 1.306 63.360 62.100 -0.078 0.000 1.137 234 T CB -0.468 68.415 68.868 0.025 0.000 0.879 234 T HN 0.312 nan 8.240 nan 0.000 0.467 235 A N 0.779 123.360 122.820 -0.398 0.000 1.873 235 A HA 0.085 4.391 4.320 -0.022 0.000 0.215 235 A C 2.005 179.408 177.584 -0.303 0.000 1.186 235 A CA 1.578 53.195 52.037 -0.701 0.000 0.616 235 A CB -1.204 17.718 19.000 -0.128 0.000 0.823 235 A HN 0.616 nan 8.150 nan 0.000 0.442 236 F N 1.025 120.767 119.950 -0.347 0.000 2.043 236 F HA -0.256 4.258 4.527 -0.022 0.000 0.297 236 F C 2.087 177.775 175.800 -0.187 0.000 1.118 236 F CA 2.483 60.175 58.000 -0.514 0.000 1.202 236 F CB -0.460 37.989 39.000 -0.919 0.000 0.965 236 F HN 0.144 nan 8.300 nan 0.000 0.482 237 K N 0.179 120.349 120.400 -0.382 0.000 2.097 237 K HA -0.104 4.203 4.320 -0.022 0.000 0.206 237 K C 2.328 178.772 176.600 -0.259 0.000 1.049 237 K CA 1.307 57.377 56.287 -0.361 0.000 0.933 237 K CB -0.620 31.785 32.500 -0.158 0.000 0.717 237 K HN 0.399 nan 8.250 nan 0.000 0.442 238 A N 0.925 123.585 122.820 -0.268 0.000 1.877 238 A HA -0.128 4.179 4.320 -0.022 0.000 0.216 238 A C 2.085 179.598 177.584 -0.118 0.000 1.186 238 A CA 1.330 53.254 52.037 -0.187 0.000 0.620 238 A CB -0.606 18.181 19.000 -0.355 0.000 0.822 238 A HN 0.173 nan 8.150 nan 0.000 0.443 239 L N -0.938 120.196 121.223 -0.148 0.000 2.156 239 L HA -0.073 4.253 4.340 -0.022 0.000 0.208 239 L C 2.979 179.664 176.870 -0.308 0.000 1.095 239 L CA 0.755 55.499 54.840 -0.160 0.000 0.770 239 L CB -0.387 41.634 42.059 -0.063 0.000 0.914 239 L HN 0.425 nan 8.230 nan 0.000 0.439 240 A N 0.240 122.912 122.820 -0.248 0.000 1.930 240 A HA -0.067 4.239 4.320 -0.022 0.000 0.217 240 A C 2.380 179.932 177.584 -0.053 0.000 1.175 240 A CA 1.554 53.482 52.037 -0.182 0.000 0.627 240 A CB -1.029 17.844 19.000 -0.211 0.000 0.815 240 A HN 0.411 nan 8.150 nan 0.000 0.443 241 G N -1.467 107.285 108.800 -0.079 0.000 2.403 241 G HA2 -0.143 3.804 3.960 -0.022 0.000 0.216 241 G HA3 -0.143 3.804 3.960 -0.022 0.000 0.216 241 G C 1.426 176.272 174.900 -0.091 0.000 1.154 241 G CA 0.967 46.037 45.100 -0.051 0.000 0.784 241 G HN 0.479 nan 8.290 nan 0.000 0.538 242 F N 1.391 121.209 119.950 -0.219 0.000 2.102 242 F HA -0.033 4.480 4.527 -0.022 0.000 0.298 242 F C 2.421 178.031 175.800 -0.316 0.000 1.105 242 F CA 1.326 59.197 58.000 -0.215 0.000 1.239 242 F CB -0.103 38.790 39.000 -0.179 0.000 0.991 242 F HN 0.094 nan 8.300 nan 0.000 0.474 243 I N 0.174 120.452 120.570 -0.486 0.000 2.179 243 I HA -0.238 3.919 4.170 -0.022 0.000 0.242 243 I C 2.707 178.143 176.117 -1.134 0.000 1.088 243 I CA 1.556 62.230 61.300 -1.043 0.000 1.357 243 I CB -1.241 35.956 38.000 -1.338 0.000 1.051 243 I HN 0.298 nan 8.210 nan 0.000 0.409 244 G N -0.598 107.550 108.800 -1.086 0.000 2.471 244 G HA2 -0.174 3.773 3.960 -0.022 0.000 0.219 244 G HA3 -0.174 3.773 3.960 -0.022 0.000 0.219 244 G C 1.702 176.339 174.900 -0.438 0.000 1.125 244 G CA 0.609 45.073 45.100 -1.059 0.000 0.775 244 G HN 0.320 nan 8.290 nan 0.000 0.548 245 S N 0.050 115.527 115.700 -0.372 0.000 2.440 245 S HA -0.097 4.360 4.470 -0.022 0.000 0.238 245 S C 1.709 176.084 174.600 -0.375 0.000 1.010 245 S CA 0.575 58.565 58.200 -0.350 0.000 0.972 245 S CB -0.332 62.579 63.200 -0.482 0.000 0.774 245 S HN 0.629 nan 8.310 nan 0.000 0.501 246 H N 0.321 119.164 119.070 -0.378 0.000 2.539 246 H HA 0.164 4.707 4.556 -0.022 0.000 0.269 246 H C 2.168 177.392 175.328 -0.173 0.000 0.980 246 H CA 0.732 56.627 56.048 -0.256 0.000 1.152 246 H CB 0.036 29.645 29.762 -0.256 0.000 1.407 246 H HN 0.497 nan 8.280 nan 0.000 0.564 247 S N 0.335 116.042 115.700 0.011 0.000 2.419 247 S HA -0.103 4.354 4.470 -0.022 0.000 0.233 247 S C 2.335 176.938 174.600 0.005 0.000 1.016 247 S CA 0.927 59.178 58.200 0.086 0.000 0.974 247 S CB -0.614 62.683 63.200 0.161 0.000 0.786 247 S HN 0.416 nan 8.310 nan 0.000 0.492 248 G N 1.236 110.021 108.800 -0.024 0.000 2.625 248 G HA2 0.023 3.969 3.960 -0.022 0.000 0.214 248 G HA3 0.023 3.969 3.960 -0.022 0.000 0.214 248 G C 1.238 176.120 174.900 -0.031 0.000 1.132 248 G CA 0.709 45.793 45.100 -0.027 0.000 0.782 248 G HN 0.806 nan 8.290 nan 0.000 0.538 249 S N -1.433 114.246 115.700 -0.036 0.000 2.650 249 S HA 0.579 5.036 4.470 -0.022 0.000 0.240 249 S C -0.126 174.446 174.600 -0.047 0.000 1.007 249 S CA -0.458 57.725 58.200 -0.028 0.000 0.984 249 S CB 0.946 64.144 63.200 -0.005 0.000 0.910 249 S HN 0.011 nan 8.310 nan 0.000 0.509 250 V N 1.442 121.305 119.914 -0.086 0.000 3.048 250 V HA 0.378 4.484 4.120 -0.022 0.000 0.303 250 V C -0.582 175.434 176.094 -0.130 0.000 1.214 250 V CA -0.592 61.617 62.300 -0.151 0.000 0.984 250 V CB 2.489 34.132 31.823 -0.301 0.000 1.054 250 V HN 0.138 nan 8.190 nan 0.000 0.430 251 Q N 1.512 121.252 119.800 -0.099 0.000 2.402 251 Q HA 0.266 4.593 4.340 -0.022 0.000 0.206 251 Q C 0.521 176.515 176.000 -0.011 0.000 0.919 251 Q CA 0.668 56.450 55.803 -0.035 0.000 0.923 251 Q CB 0.755 29.485 28.738 -0.013 0.000 1.048 251 Q HN 0.892 nan 8.270 nan 0.000 0.515 252 S N -1.260 114.391 115.700 -0.082 0.000 2.595 252 S HA 0.684 5.141 4.470 -0.022 0.000 0.270 252 S C -1.199 173.360 174.600 -0.068 0.000 1.145 252 S CA -0.943 57.285 58.200 0.046 0.000 0.825 252 S CB 0.746 64.015 63.200 0.115 0.000 1.107 252 S HN -0.020 nan 8.310 nan 0.000 0.461 253 F N 1.211 121.299 119.950 0.229 0.000 2.532 253 F HA 0.663 5.176 4.527 -0.022 0.000 0.321 253 F C 0.367 176.412 175.800 0.407 0.000 1.089 253 F CA -0.340 57.828 58.000 0.280 0.000 0.926 253 F CB 2.020 41.159 39.000 0.232 0.000 1.168 253 F HN 0.846 nan 8.300 nan 0.000 0.459 254 H N 1.885 121.238 119.070 0.471 0.000 2.865 254 H HA 0.275 4.817 4.556 -0.022 0.000 0.362 254 H C -2.234 173.414 175.328 0.534 0.000 1.114 254 H CA -0.663 55.636 56.048 0.419 0.000 1.208 254 H CB 1.946 31.861 29.762 0.255 0.000 1.727 254 H HN 0.763 nan 8.280 nan 0.000 0.534 255 W N 7.415 128.590 121.300 -0.209 0.000 3.326 255 W HA 0.428 5.074 4.660 -0.023 0.000 0.333 255 W C -2.142 174.343 176.519 -0.056 0.000 1.108 255 W CA -1.147 56.211 57.345 0.023 0.000 1.245 255 W CB 0.642 30.290 29.460 0.313 0.000 1.331 255 W HN 0.440 nan 8.180 nan 0.000 0.464 256 I N 7.993 128.598 120.570 0.059 0.000 2.362 256 I HA 0.363 4.520 4.170 -0.022 0.000 0.289 256 I C -0.065 175.945 176.117 -0.178 0.000 0.994 256 I CA -0.597 60.621 61.300 -0.137 0.000 1.158 256 I CB 1.199 39.133 38.000 -0.110 0.000 1.315 256 I HN 0.466 nan 8.210 nan 0.000 0.451 257 N N 4.174 122.680 118.700 -0.323 0.000 3.157 257 N HA 0.419 5.146 4.740 -0.022 0.000 0.291 257 N C -0.410 175.009 175.510 -0.152 0.000 1.515 257 N CA -0.738 52.174 53.050 -0.230 0.000 0.807 257 N CB 0.644 38.907 38.487 -0.374 0.000 1.672 257 N HN 0.454 nan 8.380 nan 0.000 0.592 258 G N -0.729 108.038 108.800 -0.055 0.000 2.378 258 G HA2 0.383 4.330 3.960 -0.022 0.000 0.255 258 G HA3 0.383 4.330 3.960 -0.022 0.000 0.255 258 G C -1.286 173.675 174.900 0.102 0.000 1.270 258 G CA -0.296 44.827 45.100 0.037 0.000 0.876 258 G HN 0.428 nan 8.290 nan 0.000 0.521 259 F N 3.026 122.969 119.950 -0.011 0.000 2.404 259 F HA 0.566 5.079 4.527 -0.022 0.000 0.354 259 F C 0.537 176.358 175.800 0.036 0.000 1.122 259 F CA -1.429 56.561 58.000 -0.017 0.000 1.080 259 F CB 1.918 40.896 39.000 -0.036 0.000 1.131 259 F HN 0.479 nan 8.300 nan 0.000 0.471 260 A N 4.040 126.515 122.820 -0.575 0.000 2.637 260 A HA 0.546 4.852 4.320 -0.022 0.000 0.293 260 A C 1.100 178.270 177.584 -0.689 0.000 1.216 260 A CA 0.215 51.988 52.037 -0.439 0.000 0.956 260 A CB -0.837 18.036 19.000 -0.210 0.000 1.174 260 A HN 1.715 nan 8.150 nan 0.000 0.525 261 G N -0.622 107.284 108.800 -1.490 0.000 2.179 261 G HA2 -0.171 3.776 3.960 -0.022 0.000 0.220 261 G HA3 -0.171 3.776 3.960 -0.022 0.000 0.220 261 G C 0.023 174.623 174.900 -0.500 0.000 0.990 261 G CA 0.365 44.913 45.100 -0.920 0.000 0.646 261 G HN 0.820 nan 8.290 nan 0.000 0.517 262 K N 1.223 121.354 120.400 -0.448 0.000 2.535 262 K HA 0.555 4.862 4.320 -0.022 0.000 0.250 262 K C -0.679 175.983 176.600 0.103 0.000 0.948 262 K CA -0.390 55.861 56.287 -0.060 0.000 0.796 262 K CB 1.482 33.930 32.500 -0.087 0.000 1.216 262 K HN 0.241 nan 8.250 nan 0.000 0.432 263 D N 3.007 123.555 120.400 0.248 0.000 2.387 263 D HA 0.124 4.751 4.640 -0.022 0.000 0.251 263 D C 0.524 176.935 176.300 0.184 0.000 1.141 263 D CA -0.542 53.650 54.000 0.320 0.000 0.987 263 D CB 0.660 41.657 40.800 0.329 0.000 1.116 263 D HN 0.299 nan 8.370 nan 0.000 0.491 264 L N 0.658 121.979 121.223 0.164 0.000 2.591 264 L HA 0.092 4.419 4.340 -0.022 0.000 0.228 264 L C 1.616 178.484 176.870 -0.003 0.000 1.133 264 L CA 0.374 55.205 54.840 -0.014 0.000 0.880 264 L CB -2.011 39.961 42.059 -0.146 0.000 1.033 264 L HN 0.513 nan 8.230 nan 0.000 0.450 265 N N 1.349 120.103 118.700 0.089 0.000 2.272 265 N HA -0.201 4.525 4.740 -0.022 0.000 0.185 265 N C 1.367 176.888 175.510 0.018 0.000 1.014 265 N CA 1.372 54.463 53.050 0.068 0.000 0.870 265 N CB 0.132 38.700 38.487 0.136 0.000 0.975 265 N HN 0.505 nan 8.380 nan 0.000 0.433 266 D N -0.929 119.480 120.400 0.015 0.000 2.347 266 D HA -0.067 4.560 4.640 -0.022 0.000 0.213 266 D C 0.941 177.227 176.300 -0.022 0.000 0.985 266 D CA -0.055 53.942 54.000 -0.004 0.000 0.879 266 D CB -0.152 40.647 40.800 -0.001 0.000 0.919 266 D HN 0.242 nan 8.370 nan 0.000 0.526 270 T N 3.933 118.457 114.554 -0.051 0.000 2.779 270 T HA 0.501 4.838 4.350 -0.022 0.000 0.280 270 T C -2.696 171.984 174.700 -0.033 0.000 0.987 270 T CA -0.916 61.163 62.100 -0.034 0.000 0.966 270 T CB 2.136 70.987 68.868 -0.028 0.000 0.933 270 T HN 0.027 nan 8.240 nan 0.000 0.442 271 P HA 0.359 nan 4.420 nan 0.000 0.225 271 P C 0.134 177.445 177.300 0.019 0.000 1.813 271 P CA -0.318 62.783 63.100 0.002 0.000 1.013 271 P CB -0.113 31.594 31.700 0.011 0.000 1.961 272 A N 1.161 123.989 122.820 0.014 0.000 2.308 272 A HA 0.479 4.786 4.320 -0.022 0.000 0.217 272 A C 1.170 178.799 177.584 0.075 0.000 1.216 272 A CA -0.041 52.018 52.037 0.037 0.000 0.864 272 A CB -0.091 18.925 19.000 0.027 0.000 0.902 272 A HN 0.451 nan 8.150 nan 0.000 0.499 273 A N 0.773 123.651 122.820 0.097 0.000 2.425 273 A HA 0.497 4.804 4.320 -0.022 0.000 0.249 273 A C 0.731 178.408 177.584 0.156 0.000 1.084 273 A CA 0.440 52.582 52.037 0.175 0.000 0.781 273 A CB -0.001 19.159 19.000 0.267 0.000 1.019 273 A HN 0.993 nan 8.150 nan 0.000 0.490 274 S N 1.695 117.488 115.700 0.155 0.000 2.475 274 S HA 0.524 4.981 4.470 -0.022 0.000 0.281 274 S C -0.599 174.044 174.600 0.071 0.000 1.198 274 S CA -0.540 57.718 58.200 0.096 0.000 1.063 274 S CB 0.743 63.993 63.200 0.083 0.000 0.972 274 S HN 0.789 nan 8.310 nan 0.000 0.486 275 V N 5.437 125.346 119.914 -0.009 0.000 2.378 275 V HA 0.479 4.586 4.120 -0.022 0.000 0.288 275 V C -0.117 175.862 176.094 -0.192 0.000 1.016 275 V CA -0.708 61.498 62.300 -0.156 0.000 0.840 275 V CB 1.472 33.211 31.823 -0.141 0.000 0.994 275 V HN 0.836 nan 8.190 nan 0.000 0.431 276 K N 4.685 124.943 120.400 -0.236 0.000 2.206 276 K HA 0.565 4.872 4.320 -0.022 0.000 0.264 276 K C -0.984 175.427 176.600 -0.316 0.000 0.967 276 K CA -0.776 55.386 56.287 -0.208 0.000 0.844 276 K CB 2.344 34.770 32.500 -0.125 0.000 1.099 276 K HN 0.393 nan 8.250 nan 0.000 0.441 277 I N 5.305 125.680 120.570 -0.325 0.000 2.304 277 I HA 0.261 4.418 4.170 -0.022 0.000 0.291 277 I C 0.226 176.218 176.117 -0.208 0.000 1.018 277 I CA -0.591 60.472 61.300 -0.395 0.000 1.260 277 I CB 0.240 37.938 38.000 -0.505 0.000 1.390 277 I HN 0.328 nan 8.210 nan 0.000 0.475 278 L N 8.235 129.366 121.223 -0.153 0.000 2.309 278 L HA 0.484 4.811 4.340 -0.022 0.000 0.282 278 L C -2.173 174.721 176.870 0.040 0.000 1.036 278 L CA -1.946 52.866 54.840 -0.048 0.000 0.806 278 L CB 1.177 43.215 42.059 -0.036 0.000 1.220 278 L HN 0.306 nan 8.230 nan 0.000 0.429 279 P HA 0.050 nan 4.420 nan 0.000 0.268 279 P C -1.348 176.162 177.300 0.350 0.000 1.205 279 P CA 0.237 63.426 63.100 0.149 0.000 0.771 279 P CB 0.591 32.281 31.700 -0.016 0.000 0.858 284 R N 0.589 121.009 120.500 -0.133 0.000 2.740 284 R HA 0.794 5.121 4.340 -0.022 0.000 0.273 284 R C -1.192 174.935 176.300 -0.289 0.000 0.998 284 R CA -0.840 55.072 56.100 -0.312 0.000 0.900 284 R CB 1.164 31.091 30.300 -0.622 0.000 1.223 284 R HN 0.546 nan 8.270 nan 0.000 0.466 285 I N 2.833 123.205 120.570 -0.329 0.000 2.598 285 I HA -0.070 4.087 4.170 -0.022 0.000 0.284 285 I C 0.945 176.932 176.117 -0.218 0.000 1.140 285 I CA -0.088 60.966 61.300 -0.411 0.000 1.420 285 I CB 1.167 38.889 38.000 -0.463 0.000 1.387 285 I HN 0.526 nan 8.210 nan 0.000 0.553 286 V N 4.735 124.567 119.914 -0.137 0.000 2.391 286 V HA 0.028 4.135 4.120 -0.022 0.000 0.237 286 V C 0.990 177.226 176.094 0.237 0.000 1.046 286 V CA 1.076 63.408 62.300 0.055 0.000 1.053 286 V CB -0.109 31.734 31.823 0.033 0.000 0.704 286 V HN 0.661 nan 8.190 nan 0.000 0.475 287 E N 0.890 121.164 120.200 0.124 0.000 2.063 287 E HA 0.189 4.526 4.350 -0.022 0.000 0.265 287 E C 0.452 177.076 176.600 0.041 0.000 0.919 287 E CA -0.287 56.211 56.400 0.163 0.000 0.756 287 E CB 1.603 31.334 29.700 0.051 0.000 1.120 287 E HN 0.199 nan 8.360 nan 0.000 0.414 288 L N 4.882 126.077 121.223 -0.046 0.000 2.093 288 L HA -0.174 4.153 4.340 -0.022 0.000 0.208 288 L C 2.309 178.972 176.870 -0.345 0.000 1.085 288 L CA 1.991 56.670 54.840 -0.268 0.000 0.755 288 L CB -0.216 41.518 42.059 -0.542 0.000 0.904 288 L HN 0.574 nan 8.230 nan 0.000 0.435 289 Q N -1.274 118.322 119.800 -0.340 0.000 2.020 289 Q HA -0.210 4.117 4.340 -0.022 0.000 0.202 289 Q C 1.931 177.899 176.000 -0.054 0.000 0.982 289 Q CA 2.684 58.363 55.803 -0.207 0.000 0.838 289 Q CB -0.223 28.531 28.738 0.027 0.000 0.899 289 Q HN 0.520 nan 8.270 nan 0.000 0.423 290 T N 0.661 115.225 114.554 0.017 0.000 2.720 290 T HA -0.188 4.149 4.350 -0.022 0.000 0.268 290 T C 1.300 176.080 174.700 0.134 0.000 1.037 290 T CA 1.449 63.593 62.100 0.075 0.000 1.144 290 T CB -0.489 68.433 68.868 0.089 0.000 0.864 290 T HN 0.370 nan 8.240 nan 0.000 0.444 291 F N 1.575 121.490 119.950 -0.058 0.000 2.084 291 F HA 0.076 4.588 4.527 -0.025 0.000 0.296 291 F C 1.921 177.695 175.800 -0.042 0.000 1.111 291 F CA 1.011 58.950 58.000 -0.102 0.000 1.224 291 F CB -0.502 38.289 39.000 -0.348 0.000 0.991 291 F HN 0.028 nan 8.300 nan 0.000 0.471 292 L N 0.017 121.068 121.223 -0.287 0.000 2.093 292 L HA -0.165 4.162 4.340 -0.022 0.000 0.208 292 L C 2.365 179.178 176.870 -0.095 0.000 1.085 292 L CA 1.446 56.068 54.840 -0.362 0.000 0.755 292 L CB -0.788 41.065 42.059 -0.343 0.000 0.904 292 L HN 0.170 nan 8.230 nan 0.000 0.435 293 E N 0.375 120.554 120.200 -0.035 0.000 2.085 293 E HA -0.248 4.089 4.350 -0.022 0.000 0.194 293 E C 1.946 178.567 176.600 0.035 0.000 0.994 293 E CA 1.284 57.702 56.400 0.030 0.000 0.801 293 E CB 0.021 29.739 29.700 0.031 0.000 0.743 293 E HN 0.363 nan 8.360 nan 0.000 0.453 294 K N -0.243 120.162 120.400 0.008 0.000 2.459 294 K HA -0.009 4.298 4.320 -0.022 0.000 0.193 294 K C 0.048 176.596 176.600 -0.087 0.000 1.030 294 K CA -0.167 56.083 56.287 -0.061 0.000 1.026 294 K CB 0.118 32.518 32.500 -0.167 0.000 0.809 294 K HN 0.106 nan 8.250 nan 0.000 0.504 295 Y N 2.950 123.099 120.300 -0.251 0.000 2.526 295 Y HA 0.031 4.567 4.550 -0.024 0.000 0.330 295 Y C -2.064 173.604 175.900 -0.388 0.000 1.156 295 Y CA -2.267 55.568 58.100 -0.442 0.000 1.419 295 Y CB 0.709 38.600 38.460 -0.948 0.000 1.250 295 Y HN -0.015 nan 8.280 nan 0.000 0.540 296 P HA 0.064 nan 4.420 nan 0.000 0.231 296 P C -1.042 176.154 177.300 -0.174 0.000 1.811 296 P CA 0.152 63.092 63.100 -0.268 0.000 1.051 296 P CB -0.802 30.743 31.700 -0.259 0.000 1.951 297 F N 1.026 121.102 119.950 0.210 0.000 2.496 297 F HA 0.076 4.589 4.527 -0.023 0.000 0.344 297 F C 1.666 177.538 175.800 0.119 0.000 1.155 297 F CA 0.290 58.439 58.000 0.248 0.000 1.302 297 F CB 0.211 39.344 39.000 0.222 0.000 1.159 297 F HN 0.155 nan 8.300 nan 0.000 0.595 298 Q N 1.136 121.114 119.800 0.297 0.000 2.421 298 Q HA 0.133 4.460 4.340 -0.022 0.000 0.255 298 Q C 0.172 176.269 176.000 0.162 0.000 1.013 298 Q CA -0.206 55.697 55.803 0.167 0.000 0.895 298 Q CB 0.620 29.438 28.738 0.133 0.000 1.271 298 Q HN 0.758 nan 8.270 nan 0.000 0.460 299 S N -0.466 115.299 115.700 0.107 0.000 2.589 299 S HA 0.707 5.163 4.470 -0.022 0.000 0.265 299 S C 0.547 175.195 174.600 0.078 0.000 1.342 299 S CA 0.009 58.261 58.200 0.087 0.000 1.005 299 S CB 1.190 64.426 63.200 0.061 0.000 0.909 299 S HN 0.873 nan 8.310 nan 0.000 0.555 300 G N 0.401 109.240 108.800 0.064 0.000 2.512 300 G HA2 0.289 4.236 3.960 -0.022 0.000 0.181 300 G HA3 0.289 4.236 3.960 -0.022 0.000 0.181 300 G C -1.519 173.407 174.900 0.042 0.000 1.173 300 G CA -0.829 44.304 45.100 0.056 0.000 0.988 300 G HN 0.698 nan 8.290 nan 0.000 0.485 301 E N 0.025 120.246 120.200 0.036 0.000 2.359 301 E HA 0.439 4.776 4.350 -0.022 0.000 0.255 301 E C -0.398 176.210 176.600 0.014 0.000 1.191 301 E CA -0.644 55.768 56.400 0.020 0.000 0.952 301 E CB 1.125 30.831 29.700 0.010 0.000 1.152 301 E HN 0.367 nan 8.360 nan 0.000 0.496 302 K N 1.656 122.054 120.400 -0.003 0.000 2.220 302 K HA 0.076 4.383 4.320 -0.022 0.000 0.283 302 K C -0.886 175.686 176.600 -0.046 0.000 1.098 302 K CA 0.242 56.520 56.287 -0.015 0.000 0.928 302 K CB 0.187 32.678 32.500 -0.016 0.000 1.214 302 K HN 0.283 nan 8.250 nan 0.000 0.442 303 E N 1.576 121.741 120.200 -0.057 0.000 2.222 303 E HA 0.284 4.620 4.350 -0.022 0.000 0.272 303 E C -0.865 175.598 176.600 -0.228 0.000 0.982 303 E CA -0.695 55.607 56.400 -0.163 0.000 0.842 303 E CB 2.030 31.665 29.700 -0.107 0.000 1.144 303 E HN 0.379 nan 8.360 nan 0.000 0.397 304 T N 1.548 115.869 114.554 -0.388 0.000 2.887 304 T HA 0.533 4.870 4.350 -0.022 0.000 0.288 304 T C -1.421 172.966 174.700 -0.522 0.000 1.021 304 T CA -0.599 61.330 62.100 -0.285 0.000 1.000 304 T CB 0.493 69.274 68.868 -0.145 0.000 1.034 304 T HN 0.267 nan 8.240 nan 0.000 0.467 305 Y N 0.080 120.369 120.300 -0.018 0.000 2.524 305 Y HA 0.595 5.132 4.550 -0.023 0.000 0.347 305 Y C 0.183 176.100 175.900 0.028 0.000 1.005 305 Y CA -0.975 57.131 58.100 0.010 0.000 1.025 305 Y CB 2.199 40.664 38.460 0.010 0.000 1.275 305 Y HN 0.541 nan 8.280 nan 0.000 0.460 306 S N 3.160 118.980 115.700 0.200 0.000 2.437 306 S HA 0.780 5.236 4.470 -0.022 0.000 0.305 306 S C -1.385 173.326 174.600 0.184 0.000 1.109 306 S CA -0.522 57.773 58.200 0.158 0.000 1.099 306 S CB 0.061 63.328 63.200 0.112 0.000 1.004 306 S HN 0.564 nan 8.310 nan 0.000 0.475 307 L N 4.098 125.413 121.223 0.154 0.000 2.356 307 L HA 0.584 4.911 4.340 -0.022 0.000 0.277 307 L C -0.101 176.885 176.870 0.192 0.000 0.996 307 L CA -0.598 54.312 54.840 0.117 0.000 0.822 307 L CB 1.822 43.730 42.059 -0.251 0.000 1.256 307 L HN 0.620 nan 8.230 nan 0.000 0.413 308 E N 3.114 123.500 120.200 0.311 0.000 2.175 308 E HA 0.567 4.903 4.350 -0.022 0.000 0.278 308 E C -1.359 175.480 176.600 0.398 0.000 0.969 308 E CA -0.766 55.805 56.400 0.286 0.000 0.796 308 E CB 1.522 31.352 29.700 0.215 0.000 1.104 308 E HN 0.411 nan 8.360 nan 0.000 0.395 309 I N 3.748 124.514 120.570 0.327 0.000 2.406 309 I HA 0.179 4.335 4.170 -0.022 0.000 0.290 309 I C -0.410 175.844 176.117 0.228 0.000 0.999 309 I CA -0.387 61.127 61.300 0.357 0.000 1.124 309 I CB 1.874 40.001 38.000 0.211 0.000 1.289 309 I HN 0.470 nan 8.210 nan 0.000 0.441 310 E N 4.548 124.866 120.200 0.198 0.000 2.249 310 E HA 0.499 4.836 4.350 -0.022 0.000 0.280 310 E C -0.910 175.732 176.600 0.070 0.000 1.016 310 E CA -0.368 56.091 56.400 0.098 0.000 0.830 310 E CB 1.255 30.995 29.700 0.067 0.000 1.081 310 E HN 0.336 nan 8.360 nan 0.000 0.395 311 D N 1.679 122.084 120.400 0.009 0.000 2.668 311 D HA -0.016 4.611 4.640 -0.022 0.000 0.234 311 D C 0.365 176.616 176.300 -0.081 0.000 1.349 311 D CA -0.084 53.892 54.000 -0.040 0.000 0.889 311 D CB 0.264 41.003 40.800 -0.102 0.000 1.520 311 D HN 0.349 nan 8.370 nan 0.000 0.521 312 S N 1.433 117.119 115.700 -0.024 0.000 2.383 312 S HA -0.152 4.305 4.470 -0.022 0.000 0.227 312 S C 1.517 176.027 174.600 -0.150 0.000 1.026 312 S CA 0.788 58.943 58.200 -0.075 0.000 0.981 312 S CB -0.350 62.822 63.200 -0.046 0.000 0.818 312 S HN 0.439 nan 8.310 nan 0.000 0.472 313 Y N 1.903 122.152 120.300 -0.084 0.000 2.490 313 Y HA 0.416 4.951 4.550 -0.025 0.000 0.281 313 Y C 1.573 177.316 175.900 -0.262 0.000 1.174 313 Y CA 0.045 58.105 58.100 -0.066 0.000 1.295 313 Y CB 0.234 38.735 38.460 0.069 0.000 1.062 313 Y HN 0.475 nan 8.280 nan 0.000 0.522 314 G N 0.330 108.871 108.800 -0.432 0.000 4.782 314 G HA2 0.170 4.117 3.960 -0.022 0.000 0.327 314 G HA3 0.170 4.117 3.960 -0.022 0.000 0.327 314 G C -2.014 172.113 174.900 -1.289 0.000 1.466 314 G CA -0.967 43.328 45.100 -1.342 0.000 1.017 314 G HN -0.060 nan 8.290 nan 0.000 0.543 315 P HA -0.146 nan 4.420 nan 0.000 0.220 315 P C 1.531 178.732 177.300 -0.165 0.000 1.148 315 P CA 0.788 63.690 63.100 -0.330 0.000 0.803 315 P CB -0.013 31.624 31.700 -0.106 0.000 0.782 316 W N 0.696 122.053 121.300 0.095 0.000 2.424 316 W HA -0.036 4.631 4.660 0.011 0.000 0.264 316 W C 1.216 177.890 176.519 0.258 0.000 1.229 316 W CA 0.651 58.079 57.345 0.138 0.000 1.208 316 W CB -2.085 27.445 29.460 0.118 0.000 1.127 316 W HN -0.134 nan 8.180 nan 0.000 0.588 317 N N 0.542 119.148 118.700 -0.156 0.000 2.392 317 N HA -0.008 4.719 4.740 -0.022 0.000 0.177 317 N C 0.062 175.748 175.510 0.294 0.000 1.066 317 N CA 0.451 53.576 53.050 0.125 0.000 0.895 317 N CB -0.188 38.201 38.487 -0.163 0.000 0.988 317 N HN 0.392 nan 8.380 nan 0.000 0.457 318 E N 0.211 120.475 120.200 0.107 0.000 2.390 318 E HA 0.421 4.757 4.350 -0.022 0.000 0.261 318 E C 0.597 177.267 176.600 0.116 0.000 1.076 318 E CA 0.009 56.472 56.400 0.106 0.000 0.905 318 E CB 0.757 30.462 29.700 0.008 0.000 0.984 318 E HN 0.251 nan 8.360 nan 0.000 0.427 319 G N 1.057 109.911 108.800 0.090 0.000 2.373 319 G HA2 -0.122 3.825 3.960 -0.022 0.000 0.634 319 G HA3 -0.122 3.825 3.960 -0.022 0.000 0.634 319 G C -0.862 174.047 174.900 0.014 0.000 1.267 319 G CA -0.977 44.109 45.100 -0.024 0.000 1.008 319 G HN 0.429 nan 8.290 nan 0.000 0.497 320 I N -0.372 120.146 120.570 -0.087 0.000 2.440 320 I HA 0.598 4.754 4.170 -0.022 0.000 0.294 320 I C -0.448 175.592 176.117 -0.129 0.000 0.995 320 I CA -0.328 60.970 61.300 -0.003 0.000 1.306 320 I CB 1.405 39.402 38.000 -0.005 0.000 1.407 320 I HN 0.496 nan 8.210 nan 0.000 0.501 321 W N 3.084 124.371 121.300 -0.021 0.000 2.883 321 W HA 0.419 5.062 4.660 -0.029 0.000 0.335 321 W C -0.487 176.020 176.519 -0.020 0.000 1.083 321 W CA -0.434 56.892 57.345 -0.032 0.000 1.233 321 W CB 2.039 31.457 29.460 -0.071 0.000 1.412 321 W HN 0.195 nan 8.180 nan 0.000 0.490 322 T N 4.992 119.670 114.554 0.208 0.000 2.795 322 T HA 0.616 4.952 4.350 -0.022 0.000 0.282 322 T C -0.410 174.373 174.700 0.139 0.000 0.980 322 T CA -0.518 61.663 62.100 0.135 0.000 1.012 322 T CB 0.328 69.240 68.868 0.072 0.000 0.936 322 T HN 0.373 nan 8.240 nan 0.000 0.457 323 I N 1.124 121.759 120.570 0.109 0.000 2.466 323 I HA 0.708 4.865 4.170 -0.022 0.000 0.289 323 I C -0.216 175.929 176.117 0.046 0.000 1.026 323 I CA -0.804 60.534 61.300 0.064 0.000 1.078 323 I CB 2.228 40.233 38.000 0.008 0.000 1.249 323 I HN 0.591 nan 8.210 nan 0.000 0.429 324 T N 5.225 119.787 114.554 0.013 0.000 2.772 324 T HA 0.594 4.931 4.350 -0.022 0.000 0.288 324 T C -0.368 174.310 174.700 -0.037 0.000 0.994 324 T CA -0.526 61.566 62.100 -0.013 0.000 0.951 324 T CB 0.817 69.677 68.868 -0.015 0.000 0.933 324 T HN 0.562 nan 8.240 nan 0.000 0.447 325 I N 5.058 125.587 120.570 -0.069 0.000 2.301 325 I HA 0.242 4.399 4.170 -0.022 0.000 0.292 325 I C 0.732 176.833 176.117 -0.026 0.000 1.046 325 I CA -0.819 60.417 61.300 -0.107 0.000 1.282 325 I CB 0.501 38.352 38.000 -0.249 0.000 1.409 325 I HN 0.774 nan 8.210 nan 0.000 0.484 326 D N 4.570 124.975 120.400 0.008 0.000 2.393 326 D HA -0.028 4.599 4.640 -0.022 0.000 0.246 326 D C 0.739 177.058 176.300 0.032 0.000 1.275 326 D CA -0.139 53.872 54.000 0.019 0.000 0.979 326 D CB 0.732 41.547 40.800 0.025 0.000 1.101 326 D HN 0.451 nan 8.370 nan 0.000 0.505 327 E N -1.038 119.180 120.200 0.030 0.000 2.347 327 E HA -0.069 4.268 4.350 -0.022 0.000 0.196 327 E C 0.672 177.302 176.600 0.049 0.000 1.008 327 E CA 0.839 57.261 56.400 0.036 0.000 0.852 327 E CB -0.082 29.633 29.700 0.026 0.000 0.783 327 E HN 0.343 nan 8.360 nan 0.000 0.505 328 Q N -0.747 119.084 119.800 0.052 0.000 2.442 328 Q HA 0.323 4.649 4.340 -0.022 0.000 0.175 328 Q C 1.684 177.742 176.000 0.097 0.000 1.096 328 Q CA 0.826 56.666 55.803 0.062 0.000 1.009 328 Q CB -0.438 28.330 28.738 0.050 0.000 2.678 328 Q HN 0.211 nan 8.270 nan 0.000 0.509 329 G N -0.629 108.240 108.800 0.116 0.000 2.880 329 G HA2 0.021 3.968 3.960 -0.022 0.000 0.209 329 G HA3 0.021 3.968 3.960 -0.022 0.000 0.209 329 G C -0.345 174.703 174.900 0.246 0.000 1.157 329 G CA -0.039 45.181 45.100 0.199 0.000 0.779 329 G HN 0.136 nan 8.290 nan 0.000 0.539 330 K N 0.973 121.465 120.400 0.152 0.000 2.350 330 K HA 0.552 4.858 4.320 -0.022 0.000 0.279 330 K C -0.031 176.651 176.600 0.136 0.000 1.027 330 K CA 0.082 56.454 56.287 0.141 0.000 0.969 330 K CB 1.594 34.142 32.500 0.080 0.000 0.954 330 K HN 0.099 nan 8.250 nan 0.000 0.474 331 A N 1.933 124.852 122.820 0.165 0.000 2.331 331 A HA 0.483 4.790 4.320 -0.022 0.000 0.320 331 A C -0.387 177.239 177.584 0.071 0.000 1.138 331 A CA -0.774 51.321 52.037 0.096 0.000 0.790 331 A CB 0.696 19.801 19.000 0.175 0.000 1.206 331 A HN 0.719 nan 8.150 nan 0.000 0.470 332 T N -0.524 114.056 114.554 0.044 0.000 2.829 332 T HA 0.629 4.966 4.350 -0.022 0.000 0.282 332 T C -0.609 174.127 174.700 0.059 0.000 0.990 332 T CA -0.579 61.551 62.100 0.049 0.000 1.028 332 T CB 1.096 69.988 68.868 0.040 0.000 0.951 332 T HN 0.645 nan 8.240 nan 0.000 0.460 333 V N 3.705 123.669 119.914 0.084 0.000 2.380 333 V HA 0.426 4.532 4.120 -0.022 0.000 0.286 333 V C 0.137 176.361 176.094 0.216 0.000 1.015 333 V CA -0.700 61.678 62.300 0.129 0.000 0.834 333 V CB 1.430 33.300 31.823 0.078 0.000 1.009 333 V HN 1.127 nan 8.190 nan 0.000 0.428 334 T N 4.513 119.195 114.554 0.213 0.000 2.824 334 T HA 0.400 4.737 4.350 -0.022 0.000 0.280 334 T C -0.143 174.638 174.700 0.136 0.000 0.995 334 T CA -0.490 61.702 62.100 0.154 0.000 1.009 334 T CB 1.514 70.423 68.868 0.069 0.000 0.955 334 T HN 0.656 nan 8.240 nan 0.000 0.452 335 K N 2.041 122.387 120.400 -0.090 0.000 2.276 335 K HA 0.548 4.855 4.320 -0.022 0.000 0.283 335 K C 0.527 176.885 176.600 -0.402 0.000 1.044 335 K CA 0.337 56.248 56.287 -0.628 0.000 0.944 335 K CB 0.142 32.143 32.500 -0.831 0.000 1.012 335 K HN 0.912 nan 8.250 nan 0.000 0.472 336 G N 1.507 110.043 108.800 -0.439 0.000 2.661 336 G HA2 0.122 4.069 3.960 -0.022 0.000 0.685 336 G HA3 0.122 4.069 3.960 -0.022 0.000 0.685 336 G C -0.800 174.028 174.900 -0.120 0.000 1.298 336 G CA -0.551 44.407 45.100 -0.237 0.000 0.855 336 G HN 0.852 nan 8.290 nan 0.000 0.560 345 A N 1.411 124.297 122.820 0.110 0.000 2.302 345 A HA 0.659 4.965 4.320 -0.022 0.000 0.295 345 A C -0.296 177.388 177.584 0.167 0.000 1.235 345 A CA -0.007 52.114 52.037 0.139 0.000 0.876 345 A CB -0.061 19.003 19.000 0.107 0.000 1.133 345 A HN 0.713 nan 8.150 nan 0.000 0.533 346 L N 2.051 123.417 121.223 0.239 0.000 2.343 346 L HA 0.605 4.931 4.340 -0.022 0.000 0.275 346 L C 0.411 177.495 176.870 0.358 0.000 1.056 346 L CA -0.058 54.944 54.840 0.271 0.000 0.804 346 L CB 1.462 43.742 42.059 0.367 0.000 1.203 346 L HN 0.762 nan 8.230 nan 0.000 0.440 347 K N 1.734 122.274 120.400 0.233 0.000 2.482 347 K HA 0.890 5.196 4.320 -0.022 0.000 0.251 347 K C -1.702 174.901 176.600 0.005 0.000 0.936 347 K CA -0.436 55.992 56.287 0.235 0.000 0.791 347 K CB 2.040 34.618 32.500 0.131 0.000 1.213 347 K HN 0.749 nan 8.250 nan 0.000 0.428 348 A N 2.597 125.431 122.820 0.023 0.000 2.601 348 A HA 0.410 4.717 4.320 -0.022 0.000 0.291 348 A C -1.816 175.713 177.584 -0.092 0.000 1.075 348 A CA -0.894 50.919 52.037 -0.374 0.000 0.671 348 A CB 1.022 19.252 19.000 -1.285 0.000 1.277 348 A HN 0.893 nan 8.150 nan 0.000 0.417 349 D N -0.192 120.137 120.400 -0.119 0.000 2.377 349 D HA 0.322 4.948 4.640 -0.022 0.000 0.245 349 D C 0.892 177.252 176.300 0.101 0.000 1.196 349 D CA -0.465 53.553 54.000 0.030 0.000 0.962 349 D CB 0.417 41.214 40.800 -0.004 0.000 1.127 349 D HN 0.361 nan 8.370 nan 0.000 0.471 350 I N -0.101 120.571 120.570 0.169 0.000 2.361 350 I HA -0.269 3.888 4.170 -0.022 0.000 0.251 350 I C 1.940 178.112 176.117 0.091 0.000 1.133 350 I CA 1.623 63.039 61.300 0.193 0.000 1.413 350 I CB -0.411 37.622 38.000 0.056 0.000 1.073 350 I HN 0.350 nan 8.210 nan 0.000 0.424 351 Q N -0.325 119.485 119.800 0.017 0.000 2.030 351 Q HA -0.201 4.126 4.340 -0.022 0.000 0.204 351 Q C 2.237 178.222 176.000 -0.026 0.000 0.986 351 Q CA 2.890 58.686 55.803 -0.011 0.000 0.843 351 Q CB -0.877 27.852 28.738 -0.014 0.000 0.904 351 Q HN 0.445 nan 8.270 nan 0.000 0.420 352 T N -0.383 114.112 114.554 -0.098 0.000 2.746 352 T HA -0.168 4.169 4.350 -0.022 0.000 0.267 352 T C 1.251 175.853 174.700 -0.163 0.000 1.039 352 T CA 1.298 63.287 62.100 -0.184 0.000 1.142 352 T CB -0.465 68.192 68.868 -0.351 0.000 0.866 352 T HN 0.409 nan 8.240 nan 0.000 0.444 353 W N 1.455 122.741 121.300 -0.024 0.000 2.358 353 W HA -0.140 4.508 4.660 -0.020 0.000 0.303 353 W C 2.790 179.344 176.519 0.058 0.000 1.208 353 W CA 0.805 58.151 57.345 0.001 0.000 1.274 353 W CB -0.855 28.667 29.460 0.103 0.000 1.138 353 W HN 0.162 nan 8.180 nan 0.000 0.515 354 T N 0.276 114.964 114.554 0.224 0.000 2.652 354 T HA -0.283 4.054 4.350 -0.022 0.000 0.267 354 T C 1.572 176.318 174.700 0.078 0.000 1.039 354 T CA 1.766 63.911 62.100 0.075 0.000 1.153 354 T CB -0.538 68.305 68.868 -0.042 0.000 0.863 354 T HN 0.272 nan 8.240 nan 0.000 0.428 355 Q N 0.148 119.979 119.800 0.052 0.000 2.124 355 Q HA -0.045 4.282 4.340 -0.022 0.000 0.202 355 Q C 2.370 178.436 176.000 0.110 0.000 0.977 355 Q CA 0.996 56.856 55.803 0.096 0.000 0.850 355 Q CB -0.361 28.452 28.738 0.125 0.000 0.901 355 Q HN 0.345 nan 8.270 nan 0.000 0.429 356 L N -0.174 121.067 121.223 0.031 0.000 1.973 356 L HA -0.126 4.201 4.340 -0.022 0.000 0.208 356 L C 1.946 178.820 176.870 0.006 0.000 1.073 356 L CA 1.739 56.541 54.840 -0.064 0.000 0.746 356 L CB -0.509 41.404 42.059 -0.243 0.000 0.891 356 L HN 0.089 nan 8.230 nan 0.000 0.433 357 F N -1.418 118.672 119.950 0.233 0.000 2.293 357 F HA -0.173 4.343 4.527 -0.020 0.000 0.300 357 F C 2.018 178.116 175.800 0.497 0.000 1.086 357 F CA 0.323 58.507 58.000 0.307 0.000 1.375 357 F CB -0.190 38.986 39.000 0.294 0.000 1.045 357 F HN 0.117 nan 8.300 nan 0.000 0.516 358 L N -0.373 121.137 121.223 0.479 0.000 2.478 358 L HA 0.158 4.485 4.340 -0.022 0.000 0.223 358 L C 1.899 179.058 176.870 0.480 0.000 1.140 358 L CA 1.247 56.366 54.840 0.465 0.000 0.842 358 L CB -1.101 41.061 42.059 0.172 0.000 0.953 358 L HN 0.302 nan 8.230 nan 0.000 0.452 359 G N -2.321 106.681 108.800 0.335 0.000 2.141 359 G HA2 -0.419 3.528 3.960 -0.022 0.000 0.242 359 G HA3 -0.419 3.528 3.960 -0.022 0.000 0.242 359 G C 0.910 175.903 174.900 0.155 0.000 0.982 359 G CA 0.438 45.668 45.100 0.217 0.000 0.662 359 G HN 0.328 nan 8.290 nan 0.000 0.527 360 Y N 1.218 121.531 120.300 0.021 0.000 2.184 360 Y HA 0.247 4.784 4.550 -0.021 0.000 0.290 360 Y C 1.576 177.466 175.900 -0.017 0.000 1.129 360 Y CA 1.771 59.852 58.100 -0.032 0.000 1.144 360 Y CB 0.243 38.651 38.460 -0.088 0.000 0.995 360 Y HN 0.272 nan 8.280 nan 0.000 0.513 361 R N 0.299 120.773 120.500 -0.043 0.000 2.740 361 R HA 0.347 4.673 4.340 -0.022 0.000 0.282 361 R C -0.129 176.149 176.300 -0.037 0.000 0.969 361 R CA -0.287 55.752 56.100 -0.102 0.000 0.918 361 R CB 1.247 31.514 30.300 -0.056 0.000 1.175 361 R HN 0.215 nan 8.270 nan 0.000 0.464 362 S N 0.160 115.835 115.700 -0.042 0.000 2.579 362 S HA 0.180 4.636 4.470 -0.022 0.000 0.275 362 S C 1.349 175.934 174.600 -0.024 0.000 1.345 362 S CA -0.103 58.083 58.200 -0.025 0.000 1.031 362 S CB 1.268 64.452 63.200 -0.027 0.000 0.892 362 S HN 0.698 nan 8.310 nan 0.000 0.529 363 A N 1.386 124.188 122.820 -0.029 0.000 1.978 363 A HA -0.098 4.209 4.320 -0.022 0.000 0.220 363 A C 1.958 179.532 177.584 -0.017 0.000 1.170 363 A CA 1.714 53.726 52.037 -0.042 0.000 0.636 363 A CB -0.969 18.007 19.000 -0.040 0.000 0.810 363 A HN 0.905 nan 8.150 nan 0.000 0.448 364 E N -0.517 119.679 120.200 -0.005 0.000 2.047 364 E HA -0.095 4.241 4.350 -0.022 0.000 0.191 364 E C 2.063 178.678 176.600 0.025 0.000 0.987 364 E CA 1.756 58.160 56.400 0.006 0.000 0.799 364 E CB -0.671 29.024 29.700 -0.008 0.000 0.752 364 E HN 0.551 nan 8.360 nan 0.000 0.449 365 T N 1.003 115.570 114.554 0.023 0.000 2.746 365 T HA -0.096 4.240 4.350 -0.022 0.000 0.267 365 T C 1.837 176.653 174.700 0.192 0.000 1.039 365 T CA 0.953 63.108 62.100 0.091 0.000 1.142 365 T CB -0.211 68.708 68.868 0.084 0.000 0.866 365 T HN 0.054 nan 8.240 nan 0.000 0.444 366 L N 0.521 121.802 121.223 0.096 0.000 2.131 366 L HA 0.005 4.332 4.340 -0.022 0.000 0.206 366 L C 2.855 179.750 176.870 0.042 0.000 1.087 366 L CA 0.759 55.640 54.840 0.067 0.000 0.767 366 L CB -0.492 41.537 42.059 -0.049 0.000 0.917 366 L HN 0.250 nan 8.230 nan 0.000 0.441 367 S N -0.164 115.545 115.700 0.015 0.000 2.383 367 S HA -0.205 4.252 4.470 -0.022 0.000 0.227 367 S C 1.973 176.574 174.600 0.002 0.000 1.026 367 S CA 1.080 59.276 58.200 -0.007 0.000 0.981 367 S CB -0.288 62.909 63.200 -0.004 0.000 0.818 367 S HN 0.397 nan 8.310 nan 0.000 0.472 368 F N 0.976 120.847 119.950 -0.132 0.000 2.102 368 F HA -0.047 4.466 4.527 -0.023 0.000 0.298 368 F C 1.366 176.994 175.800 -0.287 0.000 1.105 368 F CA 1.459 59.302 58.000 -0.261 0.000 1.239 368 F CB -0.319 38.421 39.000 -0.434 0.000 0.991 368 F HN 0.268 nan 8.300 nan 0.000 0.474 369 Y N 0.901 121.286 120.300 0.142 0.000 2.471 369 Y HA 0.134 4.671 4.550 -0.022 0.000 0.286 369 Y C 0.802 176.671 175.900 -0.051 0.000 1.188 369 Y CA 0.310 58.440 58.100 0.050 0.000 1.286 369 Y CB -0.831 37.697 38.460 0.113 0.000 1.072 369 Y HN 0.229 nan 8.280 nan 0.000 0.517 370 E N -1.386 118.823 120.200 0.014 0.000 3.286 370 E HA -0.282 4.055 4.350 -0.022 0.000 0.292 370 E C 1.190 177.769 176.600 -0.034 0.000 0.928 370 E CA 0.236 56.612 56.400 -0.040 0.000 0.982 370 E CB -0.691 28.972 29.700 -0.063 0.000 1.500 370 E HN 0.412 nan 8.360 nan 0.000 0.441 371 R N -0.019 120.468 120.500 -0.023 0.000 2.119 371 R HA 0.027 4.354 4.340 -0.022 0.000 0.222 371 R C 1.107 177.300 176.300 -0.178 0.000 1.088 371 R CA 0.572 56.621 56.100 -0.085 0.000 0.984 371 R CB -0.170 30.085 30.300 -0.076 0.000 0.884 371 R HN 0.119 nan 8.270 nan 0.000 0.447 372 L N 2.565 123.679 121.223 -0.182 0.000 2.264 372 L HA 0.241 4.568 4.340 -0.022 0.000 0.287 372 L C -0.809 175.974 176.870 -0.145 0.000 1.039 372 L CA -0.320 54.361 54.840 -0.264 0.000 0.829 372 L CB 1.276 43.168 42.059 -0.278 0.000 1.211 372 L HN -0.043 nan 8.230 nan 0.000 0.427 373 Q N 3.308 123.041 119.800 -0.112 0.000 2.222 373 Q HA 0.872 5.199 4.340 -0.022 0.000 0.252 373 Q C 0.135 176.134 176.000 -0.000 0.000 0.926 373 Q CA -0.039 55.737 55.803 -0.045 0.000 0.899 373 Q CB 1.901 30.622 28.738 -0.028 0.000 1.250 373 Q HN 0.970 nan 8.270 nan 0.000 0.441 374 G N 1.080 109.887 108.800 0.010 0.000 2.347 374 G HA2 -0.100 3.846 3.960 -0.022 0.000 0.341 374 G HA3 -0.100 3.846 3.960 -0.022 0.000 0.341 374 G C -1.763 173.153 174.900 0.026 0.000 1.287 374 G CA -1.008 44.115 45.100 0.038 0.000 0.984 374 G HN 0.612 nan 8.290 nan 0.000 0.526 375 D N 0.675 121.098 120.400 0.039 0.000 2.308 375 D HA 0.491 5.117 4.640 -0.022 0.000 0.251 375 D C 1.723 178.042 176.300 0.032 0.000 1.127 375 D CA 0.600 54.617 54.000 0.028 0.000 0.876 375 D CB 1.556 42.375 40.800 0.032 0.000 1.176 375 D HN 0.860 nan 8.370 nan 0.000 0.446 376 A N 3.523 126.353 122.820 0.017 0.000 1.940 376 A HA -0.265 4.041 4.320 -0.022 0.000 0.221 376 A C 2.126 179.730 177.584 0.034 0.000 1.190 376 A CA 2.496 54.545 52.037 0.019 0.000 0.647 376 A CB -0.886 18.122 19.000 0.012 0.000 0.821 376 A HN 0.694 nan 8.150 nan 0.000 0.457 377 T N -0.800 113.777 114.554 0.037 0.000 2.788 377 T HA -0.066 4.270 4.350 -0.022 0.000 0.268 377 T C 1.708 176.453 174.700 0.075 0.000 1.044 377 T CA 1.442 63.569 62.100 0.046 0.000 1.139 377 T CB -0.390 68.499 68.868 0.036 0.000 0.867 377 T HN 0.382 nan 8.240 nan 0.000 0.454 378 I N 0.982 121.608 120.570 0.094 0.000 2.406 378 I HA 0.009 4.166 4.170 -0.022 0.000 0.249 378 I C 2.909 179.122 176.117 0.160 0.000 1.122 378 I CA 1.030 62.427 61.300 0.163 0.000 1.431 378 I CB -1.286 36.814 38.000 0.168 0.000 1.087 378 I HN 0.264 nan 8.210 nan 0.000 0.424 379 A N 1.062 123.936 122.820 0.091 0.000 1.845 379 A HA -0.259 4.047 4.320 -0.022 0.000 0.215 379 A C 2.276 179.882 177.584 0.038 0.000 1.195 379 A CA 1.653 53.717 52.037 0.046 0.000 0.616 379 A CB -0.839 18.170 19.000 0.016 0.000 0.832 379 A HN 0.441 nan 8.150 nan 0.000 0.443 380 Q N -0.799 119.027 119.800 0.044 0.000 2.096 380 Q HA -0.258 4.068 4.340 -0.022 0.000 0.208 380 Q C 2.412 178.450 176.000 0.064 0.000 0.993 380 Q CA 2.022 57.851 55.803 0.043 0.000 0.862 380 Q CB -0.264 28.500 28.738 0.042 0.000 0.915 380 Q HN 0.599 nan 8.270 nan 0.000 0.416 381 R N -0.009 120.553 120.500 0.105 0.000 2.073 381 R HA -0.157 4.169 4.340 -0.022 0.000 0.234 381 R C 2.336 178.731 176.300 0.158 0.000 1.134 381 R CA 1.207 57.400 56.100 0.156 0.000 0.952 381 R CB -0.390 30.046 30.300 0.228 0.000 0.850 381 R HN 0.189 nan 8.270 nan 0.000 0.433 382 L N 0.267 121.523 121.223 0.056 0.000 2.017 382 L HA -0.028 4.299 4.340 -0.022 0.000 0.208 382 L C 2.169 179.015 176.870 -0.040 0.000 1.073 382 L CA 2.137 56.849 54.840 -0.213 0.000 0.745 382 L CB -1.022 40.766 42.059 -0.452 0.000 0.894 382 L HN 0.213 nan 8.230 nan 0.000 0.432 383 G N -1.335 107.462 108.800 -0.006 0.000 2.475 383 G HA2 -0.282 3.665 3.960 -0.022 0.000 0.220 383 G HA3 -0.282 3.665 3.960 -0.022 0.000 0.220 383 G C 1.341 176.278 174.900 0.062 0.000 1.125 383 G CA 0.688 45.802 45.100 0.023 0.000 0.755 383 G HN 0.460 nan 8.290 nan 0.000 0.565 384 Q N -0.069 119.774 119.800 0.072 0.000 2.369 384 Q HA 0.081 4.408 4.340 -0.022 0.000 0.206 384 Q C 2.297 178.371 176.000 0.123 0.000 0.963 384 Q CA 0.464 56.317 55.803 0.084 0.000 0.894 384 Q CB -0.076 28.707 28.738 0.076 0.000 0.965 384 Q HN 0.322 nan 8.270 nan 0.000 0.475 385 R N -0.326 120.272 120.500 0.164 0.000 2.300 385 R HA 0.241 4.568 4.340 -0.022 0.000 0.199 385 R C 0.702 177.254 176.300 0.421 0.000 0.920 385 R CA -0.006 56.257 56.100 0.272 0.000 1.046 385 R CB -0.013 30.435 30.300 0.246 0.000 0.984 385 R HN 0.224 nan 8.270 nan 0.000 0.493 386 L N 0.309 121.724 121.223 0.320 0.000 2.439 386 L HA 0.246 4.573 4.340 -0.022 0.000 0.259 386 L C 0.601 177.602 176.870 0.218 0.000 1.129 386 L CA -0.836 54.232 54.840 0.380 0.000 0.803 386 L CB 0.992 43.219 42.059 0.279 0.000 1.161 386 L HN -0.255 nan 8.230 nan 0.000 0.462 387 V N 2.090 122.101 119.914 0.161 0.000 2.901 387 V HA -0.006 4.101 4.120 -0.022 0.000 0.307 387 V C 0.232 176.246 176.094 -0.134 0.000 1.084 387 V CA 0.001 62.176 62.300 -0.208 0.000 1.184 387 V CB 0.790 32.229 31.823 -0.639 0.000 0.941 387 V HN 0.565 nan 8.190 nan 0.000 0.493 388 K N 3.499 123.805 120.400 -0.156 0.000 2.138 388 K HA 0.774 5.081 4.320 -0.022 0.000 0.263 388 K C 0.240 176.834 176.600 -0.011 0.000 0.965 388 K CA 0.375 56.633 56.287 -0.049 0.000 0.868 388 K CB 1.252 33.738 32.500 -0.022 0.000 1.083 388 K HN 1.154 nan 8.250 nan 0.000 0.443 392 I N 1.159 121.992 120.570 0.437 0.000 2.498 392 I HA 0.507 4.664 4.170 -0.022 0.000 0.290 392 I C -0.956 175.322 176.117 0.268 0.000 1.032 392 I CA -0.945 60.564 61.300 0.348 0.000 1.073 392 I CB 2.335 40.424 38.000 0.148 0.000 1.251 392 I HN 0.233 nan 8.210 nan 0.000 0.426 393 L N 6.242 127.501 121.223 0.061 0.000 2.372 393 L HA 0.448 4.775 4.340 -0.022 0.000 0.274 393 L C -0.218 176.689 176.870 0.061 0.000 0.988 393 L CA 0.302 55.043 54.840 -0.166 0.000 0.833 393 L CB 1.255 42.734 42.059 -0.967 0.000 1.236 393 L HN 0.574 nan 8.230 nan 0.000 0.410 394 E N 2.878 123.172 120.200 0.156 0.000 2.736 394 E HA 0.234 4.571 4.350 -0.022 0.000 0.208 394 E C -1.016 175.712 176.600 0.213 0.000 0.996 394 E CA -0.095 56.419 56.400 0.190 0.000 1.104 394 E CB 0.635 30.491 29.700 0.259 0.000 1.111 394 E HN 0.686 nan 8.360 nan 0.000 0.455 395 D N -0.041 120.482 120.400 0.204 0.000 2.433 395 D HA 0.286 4.913 4.640 -0.022 0.000 0.236 395 D C -1.419 175.000 176.300 0.199 0.000 1.026 395 D CA -0.524 53.634 54.000 0.263 0.000 0.884 395 D CB 1.540 42.540 40.800 0.332 0.000 1.384 395 D HN -0.026 nan 8.370 nan 0.000 0.477 396 Y N 2.035 122.410 120.300 0.124 0.000 2.409 396 Y HA 0.611 5.149 4.550 -0.020 0.000 0.343 396 Y C -1.571 174.378 175.900 0.081 0.000 0.973 396 Y CA -0.910 57.159 58.100 -0.051 0.000 1.064 396 Y CB 0.611 39.118 38.460 0.077 0.000 1.207 396 Y HN 0.406 nan 8.280 nan 0.000 0.452 397 F N 0.000 119.572 119.950 -0.630 0.000 2.286 397 F HA 0.000 4.516 4.527 -0.018 0.000 0.279 397 F CA 0.000 57.759 58.000 -0.402 0.000 1.383 397 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 397 F HN 0.000 nan 8.300 nan 0.000 0.574