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 1adj_1_D DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG 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 0.003 0.000 1.109 2 T CA 0.000 62.101 62.100 0.001 0.000 1.349 2 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 3 A N 2.914 125.735 122.820 0.001 0.000 2.520 3 A HA 0.569 4.889 4.320 -0.000 0.000 0.235 3 A C 0.449 178.038 177.584 0.008 0.000 1.065 3 A CA 0.489 52.528 52.037 0.003 0.000 0.764 3 A CB 0.163 19.162 19.000 -0.002 0.000 1.002 3 A HN 0.351 nan 8.150 nan 0.000 0.502 4 R N -0.038 120.470 120.500 0.014 0.000 2.950 4 R HA 0.675 5.015 4.340 -0.000 0.000 0.253 4 R C -0.288 176.028 176.300 0.027 0.000 1.168 4 R CA -0.365 55.749 56.100 0.023 0.000 1.014 4 R CB 1.676 31.992 30.300 0.025 0.000 1.228 4 R HN 0.861 nan 8.270 nan 0.000 0.487 5 A N 1.234 124.079 122.820 0.042 0.000 2.409 5 A HA 0.318 4.638 4.320 -0.000 0.000 0.267 5 A C 0.633 178.248 177.584 0.051 0.000 1.127 5 A CA -0.538 51.530 52.037 0.052 0.000 0.795 5 A CB -0.006 19.040 19.000 0.077 0.000 1.061 5 A HN 0.522 nan 8.150 nan 0.000 0.502 6 V N 1.166 121.106 119.914 0.044 0.000 2.720 6 V HA 0.173 4.293 4.120 -0.000 0.000 0.307 6 V C 0.724 176.859 176.094 0.069 0.000 1.071 6 V CA -0.432 61.895 62.300 0.046 0.000 1.199 6 V CB -0.352 31.488 31.823 0.029 0.000 0.900 6 V HN 0.945 nan 8.190 nan 0.000 0.494 7 R N 4.092 124.630 120.500 0.063 0.000 2.537 7 R HA 0.385 4.725 4.340 -0.000 0.000 0.281 7 R C 1.350 177.706 176.300 0.093 0.000 0.988 7 R CA 1.431 57.568 56.100 0.061 0.000 1.077 7 R CB -0.298 30.031 30.300 0.047 0.000 0.932 7 R HN 1.995 nan 8.270 nan 0.000 0.409 8 G N 1.897 110.742 108.800 0.075 0.000 2.194 8 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.236 8 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.236 8 G C 0.006 175.056 174.900 0.250 0.000 0.987 8 G CA 0.369 45.543 45.100 0.123 0.000 0.635 8 G HN 1.033 nan 8.290 nan 0.000 0.520 9 T N -1.823 112.858 114.554 0.212 0.000 2.916 9 T HA 0.803 5.153 4.350 -0.000 0.000 0.292 9 T C -0.692 174.135 174.700 0.211 0.000 1.064 9 T CA 0.209 62.461 62.100 0.253 0.000 1.011 9 T CB 2.827 71.810 68.868 0.193 0.000 1.152 9 T HN 1.269 nan 8.240 nan 0.000 0.510 10 K N 0.134 120.670 120.400 0.227 0.000 2.607 10 K HA 0.471 4.790 4.320 -0.000 0.000 0.287 10 K C -1.938 174.766 176.600 0.175 0.000 0.996 10 K CA -1.022 55.376 56.287 0.184 0.000 0.876 10 K CB 1.198 33.808 32.500 0.184 0.000 1.496 10 K HN 0.433 nan 8.250 nan 0.000 0.415 11 D N 1.826 122.334 120.400 0.180 0.000 2.308 11 D HA 0.235 4.875 4.640 -0.000 0.000 0.251 11 D C -0.395 176.032 176.300 0.212 0.000 1.127 11 D CA -0.055 54.076 54.000 0.218 0.000 0.876 11 D CB 1.054 42.023 40.800 0.282 0.000 1.176 11 D HN 0.333 nan 8.370 nan 0.000 0.446 12 L N 3.894 125.204 121.223 0.145 0.000 2.272 12 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 12 L C -0.340 176.619 176.870 0.148 0.000 1.032 12 L CA -0.674 54.164 54.840 -0.003 0.000 0.810 12 L CB 0.071 42.037 42.059 -0.155 0.000 1.205 12 L HN 0.356 nan 8.230 nan 0.000 0.422 13 F N 0.928 120.836 119.950 -0.072 0.000 2.817 13 F HA 0.850 5.377 4.527 -0.000 0.000 0.317 13 F C 0.330 176.105 175.800 -0.041 0.000 1.168 13 F CA -0.332 57.639 58.000 -0.047 0.000 0.911 13 F CB 0.586 39.571 39.000 -0.026 0.000 1.337 13 F HN 0.647 nan 8.300 nan 0.000 0.464 14 G N 1.474 110.369 108.800 0.158 0.000 2.575 14 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.267 14 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.267 14 G C 0.473 175.344 174.900 -0.048 0.000 1.264 14 G CA 0.338 45.458 45.100 0.034 0.000 0.935 14 G HN 1.094 nan 8.290 nan 0.000 0.568 15 K N 0.135 120.500 120.400 -0.058 0.000 2.074 15 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 15 K C 2.459 179.023 176.600 -0.059 0.000 1.048 15 K CA 1.942 58.205 56.287 -0.040 0.000 0.926 15 K CB -0.197 32.287 32.500 -0.026 0.000 0.713 15 K HN 0.611 nan 8.250 nan 0.000 0.444 16 E N 1.070 121.193 120.200 -0.129 0.000 2.058 16 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 16 E C 2.036 178.514 176.600 -0.203 0.000 0.997 16 E CA 0.906 57.219 56.400 -0.146 0.000 0.801 16 E CB -0.004 29.558 29.700 -0.229 0.000 0.746 16 E HN 0.226 nan 8.360 nan 0.000 0.450 17 L N 0.617 121.709 121.223 -0.219 0.000 2.046 17 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 17 L C 2.506 179.345 176.870 -0.053 0.000 1.077 17 L CA 1.556 56.278 54.840 -0.197 0.000 0.747 17 L CB -0.315 41.689 42.059 -0.091 0.000 0.896 17 L HN 0.180 nan 8.230 nan 0.000 0.432 18 R N -0.959 119.532 120.500 -0.015 0.000 2.105 18 R HA -0.235 4.104 4.340 -0.000 0.000 0.239 18 R C 2.095 178.427 176.300 0.054 0.000 1.135 18 R CA 1.746 57.861 56.100 0.025 0.000 0.967 18 R CB -0.316 29.997 30.300 0.022 0.000 0.861 18 R HN 0.270 nan 8.270 nan 0.000 0.442 19 M N -0.161 119.481 119.600 0.070 0.000 2.132 19 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 19 M C 1.675 178.064 176.300 0.150 0.000 1.065 19 M CA 1.766 57.126 55.300 0.099 0.000 1.122 19 M CB -0.279 32.388 32.600 0.112 0.000 1.365 19 M HN 0.205 nan 8.290 nan 0.000 0.411 20 H N -0.977 118.086 119.070 -0.012 0.000 2.352 20 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 20 H C 1.998 177.331 175.328 0.008 0.000 1.097 20 H CA 1.724 57.765 56.048 -0.012 0.000 1.311 20 H CB 0.020 29.740 29.762 -0.071 0.000 1.377 20 H HN 0.563 nan 8.280 nan 0.000 0.504 21 Q N 0.385 120.269 119.800 0.141 0.000 2.119 21 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 21 Q C 2.421 178.465 176.000 0.073 0.000 0.972 21 Q CA 0.747 56.604 55.803 0.090 0.000 0.847 21 Q CB 0.025 28.802 28.738 0.066 0.000 0.903 21 Q HN 0.389 nan 8.270 nan 0.000 0.433 22 R N 0.365 120.901 120.500 0.059 0.000 2.073 22 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 22 R C 2.292 178.609 176.300 0.028 0.000 1.134 22 R CA 1.200 57.319 56.100 0.032 0.000 0.952 22 R CB -0.299 30.010 30.300 0.015 0.000 0.850 22 R HN 0.271 nan 8.270 nan 0.000 0.433 23 I N 0.228 120.823 120.570 0.041 0.000 2.127 23 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 23 I C 2.268 178.461 176.117 0.126 0.000 1.075 23 I CA 1.292 62.631 61.300 0.065 0.000 1.334 23 I CB -0.301 37.744 38.000 0.075 0.000 1.040 23 I HN -0.014 nan 8.210 nan 0.000 0.405 24 V N 0.998 120.985 119.914 0.122 0.000 2.407 24 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 24 V C 2.692 178.849 176.094 0.105 0.000 1.055 24 V CA 1.813 64.201 62.300 0.147 0.000 1.049 24 V CB -1.048 30.871 31.823 0.161 0.000 0.662 24 V HN 0.493 nan 8.190 nan 0.000 0.455 25 A N -0.048 122.817 122.820 0.075 0.000 1.877 25 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 25 A C 2.421 179.998 177.584 -0.013 0.000 1.186 25 A CA 2.598 54.660 52.037 0.042 0.000 0.620 25 A CB -0.979 18.044 19.000 0.037 0.000 0.822 25 A HN 0.492 nan 8.150 nan 0.000 0.443 26 T N 0.246 114.791 114.554 -0.014 0.000 2.737 26 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 26 T C 2.270 176.927 174.700 -0.072 0.000 1.038 26 T CA 1.641 63.714 62.100 -0.046 0.000 1.144 26 T CB -0.533 68.303 68.868 -0.053 0.000 0.866 26 T HN 0.606 nan 8.240 nan 0.000 0.434 27 A N 1.848 124.655 122.820 -0.022 0.000 1.917 27 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 27 A C 2.281 179.631 177.584 -0.390 0.000 1.182 27 A CA 2.119 54.128 52.037 -0.047 0.000 0.633 27 A CB -0.674 18.412 19.000 0.143 0.000 0.819 27 A HN 0.478 nan 8.150 nan 0.000 0.448 28 R N -0.117 120.087 120.500 -0.493 0.000 2.091 28 R HA -0.188 4.151 4.340 -0.000 0.000 0.238 28 R C 2.277 178.316 176.300 -0.435 0.000 1.136 28 R CA 2.035 57.674 56.100 -0.768 0.000 0.959 28 R CB -0.303 29.854 30.300 -0.237 0.000 0.856 28 R HN 0.558 nan 8.270 nan 0.000 0.437 29 K N 0.403 120.669 120.400 -0.224 0.000 2.002 29 K HA -0.123 4.196 4.320 -0.000 0.000 0.209 29 K C 2.096 178.607 176.600 -0.149 0.000 1.048 29 K CA 1.871 58.074 56.287 -0.140 0.000 0.930 29 K CB -0.157 32.292 32.500 -0.085 0.000 0.714 29 K HN 0.239 nan 8.250 nan 0.000 0.438 30 V N -0.427 119.395 119.914 -0.154 0.000 2.343 30 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 30 V C 2.123 178.124 176.094 -0.154 0.000 1.051 30 V CA 1.233 63.457 62.300 -0.127 0.000 1.036 30 V CB -0.622 31.141 31.823 -0.101 0.000 0.654 30 V HN 0.130 nan 8.190 nan 0.000 0.451 31 L N 0.842 121.917 121.223 -0.247 0.000 2.056 31 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 31 L C 2.793 179.554 176.870 -0.180 0.000 1.078 31 L CA 2.073 56.753 54.840 -0.267 0.000 0.749 31 L CB -1.267 40.508 42.059 -0.473 0.000 0.901 31 L HN 0.452 nan 8.230 nan 0.000 0.433 32 E N -0.923 119.133 120.200 -0.239 0.000 2.274 32 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 32 E C 2.141 178.734 176.600 -0.012 0.000 0.996 32 E CA 0.809 57.173 56.400 -0.060 0.000 0.840 32 E CB -0.086 29.599 29.700 -0.024 0.000 0.772 32 E HN 0.478 nan 8.360 nan 0.000 0.491 33 A N 1.321 124.115 122.820 -0.045 0.000 2.014 33 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 33 A C 2.235 179.818 177.584 -0.002 0.000 1.163 33 A CA 1.230 53.254 52.037 -0.022 0.000 0.652 33 A CB -0.156 18.822 19.000 -0.038 0.000 0.808 33 A HN 0.234 nan 8.150 nan 0.000 0.449 34 A N -1.743 121.077 122.820 -0.001 0.000 2.251 34 A HA 0.430 4.750 4.320 -0.000 0.000 0.209 34 A C 1.629 179.267 177.584 0.090 0.000 1.187 34 A CA 1.089 53.145 52.037 0.031 0.000 0.823 34 A CB -0.835 18.168 19.000 0.006 0.000 0.846 34 A HN 1.792 nan 8.150 nan 0.000 0.486 35 G N -2.009 106.845 108.800 0.091 0.000 2.141 35 G HA2 0.114 4.074 3.960 -0.000 0.000 0.231 35 G HA3 0.114 4.074 3.960 -0.000 0.000 0.231 35 G C 0.369 175.380 174.900 0.185 0.000 0.984 35 G CA 0.157 45.329 45.100 0.120 0.000 0.660 35 G HN 1.555 nan 8.290 nan 0.000 0.525 36 A N -0.205 122.757 122.820 0.237 0.000 2.440 36 A HA 0.714 5.033 4.320 -0.000 0.000 0.251 36 A C 0.208 178.035 177.584 0.406 0.000 1.089 36 A CA 0.292 52.549 52.037 0.366 0.000 0.779 36 A CB 0.854 20.140 19.000 0.476 0.000 1.022 36 A HN 1.595 nan 8.150 nan 0.000 0.492 37 L N 1.689 123.129 121.223 0.362 0.000 2.295 37 L HA 0.439 4.779 4.340 -0.000 0.000 0.285 37 L C 0.338 177.309 176.870 0.168 0.000 1.035 37 L CA -0.298 54.699 54.840 0.261 0.000 0.806 37 L CB 1.363 43.523 42.059 0.169 0.000 1.214 37 L HN 0.794 nan 8.230 nan 0.000 0.426 38 E N 4.988 125.194 120.200 0.010 0.000 2.324 38 E HA 0.248 4.598 4.350 -0.000 0.000 0.271 38 E C -1.499 174.918 176.600 -0.306 0.000 1.028 38 E CA -0.337 55.755 56.400 -0.513 0.000 0.890 38 E CB 0.721 30.127 29.700 -0.490 0.000 1.004 38 E HN 0.546 nan 8.360 nan 0.000 0.431 39 L N 6.413 127.431 121.223 -0.342 0.000 2.441 39 L HA 0.371 4.711 4.340 -0.000 0.000 0.270 39 L C -1.648 175.094 176.870 -0.212 0.000 0.973 39 L CA -0.797 53.930 54.840 -0.189 0.000 0.842 39 L CB 1.640 43.649 42.059 -0.085 0.000 1.239 39 L HN 0.335 nan 8.230 nan 0.000 0.406 40 V N 4.120 123.930 119.914 -0.173 0.000 2.347 40 V HA 0.485 4.605 4.120 -0.000 0.000 0.280 40 V C 0.724 176.766 176.094 -0.087 0.000 1.021 40 V CA -0.449 61.763 62.300 -0.147 0.000 0.847 40 V CB 1.640 33.376 31.823 -0.145 0.000 0.990 40 V HN 0.880 nan 8.190 nan 0.000 0.444 41 T N 3.742 118.257 114.554 -0.066 0.000 2.918 41 T HA 0.608 4.958 4.350 -0.000 0.000 0.283 41 T C -2.318 172.355 174.700 -0.046 0.000 1.001 41 T CA -1.822 60.259 62.100 -0.033 0.000 1.041 41 T CB 1.266 70.131 68.868 -0.005 0.000 1.028 41 T HN 0.426 nan 8.240 nan 0.000 0.511 42 P HA 0.155 nan 4.420 nan 0.000 0.270 42 P C 0.980 178.205 177.300 -0.125 0.000 1.227 42 P CA -0.568 62.441 63.100 -0.152 0.000 0.788 42 P CB 0.307 31.882 31.700 -0.209 0.000 0.926 43 I N -0.020 120.410 120.570 -0.232 0.000 2.614 43 I HA -0.066 4.104 4.170 -0.000 0.000 0.258 43 I C 0.883 177.061 176.117 0.100 0.000 1.189 43 I CA 1.413 62.690 61.300 -0.038 0.000 1.462 43 I CB -1.066 36.903 38.000 -0.053 0.000 1.092 43 I HN 0.283 nan 8.210 nan 0.000 0.442 44 F N -0.363 119.691 119.950 0.173 0.000 2.599 44 F HA 0.776 5.303 4.527 -0.000 0.000 0.311 44 F C -0.333 175.551 175.800 0.139 0.000 1.076 44 F CA -1.396 56.721 58.000 0.194 0.000 0.937 44 F CB 1.058 40.157 39.000 0.165 0.000 1.282 44 F HN -0.242 nan 8.300 nan 0.000 0.460 45 E N 0.054 120.506 120.200 0.419 0.000 2.423 45 E HA 0.261 4.611 4.350 -0.000 0.000 0.269 45 E C -1.256 175.356 176.600 0.019 0.000 0.948 45 E CA -1.021 55.443 56.400 0.107 0.000 0.802 45 E CB 2.117 31.665 29.700 -0.253 0.000 1.339 45 E HN 0.753 nan 8.360 nan 0.000 0.445 46 E N 0.649 120.798 120.200 -0.085 0.000 2.415 46 E HA -0.035 4.314 4.350 -0.000 0.000 0.263 46 E C 0.818 177.336 176.600 -0.138 0.000 0.995 46 E CA 0.240 56.578 56.400 -0.104 0.000 0.915 46 E CB 0.637 30.274 29.700 -0.106 0.000 0.951 46 E HN 0.405 nan 8.360 nan 0.000 0.449 47 T N 2.980 117.480 114.554 -0.089 0.000 2.760 47 T HA -0.275 4.074 4.350 -0.000 0.000 0.269 47 T C 1.802 176.479 174.700 -0.038 0.000 1.047 47 T CA 2.244 64.332 62.100 -0.021 0.000 1.139 47 T CB -0.050 68.796 68.868 -0.037 0.000 0.855 47 T HN 0.614 nan 8.240 nan 0.000 0.471 48 Q N 0.020 119.769 119.800 -0.086 0.000 2.124 48 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 48 Q C 2.177 178.097 176.000 -0.132 0.000 0.977 48 Q CA 1.679 57.433 55.803 -0.082 0.000 0.850 48 Q CB -0.687 28.005 28.738 -0.076 0.000 0.901 48 Q HN 0.429 nan 8.270 nan 0.000 0.429 49 V N 0.524 120.275 119.914 -0.271 0.000 2.380 49 V HA -0.242 3.877 4.120 -0.000 0.000 0.251 49 V C 1.820 177.700 176.094 -0.357 0.000 1.063 49 V CA 1.866 63.929 62.300 -0.396 0.000 1.055 49 V CB -0.694 30.737 31.823 -0.653 0.000 0.657 49 V HN 0.331 nan 8.190 nan 0.000 0.455 50 F N -0.050 119.899 119.950 -0.003 0.000 2.387 50 F HA 0.103 4.630 4.527 -0.000 0.000 0.294 50 F C 2.292 178.086 175.800 -0.010 0.000 1.093 50 F CA 0.333 58.334 58.000 0.001 0.000 1.420 50 F CB -0.655 38.349 39.000 0.006 0.000 1.086 50 F HN 0.158 nan 8.300 nan 0.000 0.531 51 E N 0.881 121.155 120.200 0.123 0.000 2.007 51 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 51 E C 2.058 178.681 176.600 0.039 0.000 0.999 51 E CA 1.472 57.910 56.400 0.063 0.000 0.811 51 E CB -0.179 29.538 29.700 0.028 0.000 0.762 51 E HN 0.352 nan 8.360 nan 0.000 0.450 52 K N 0.213 120.623 120.400 0.016 0.000 2.057 52 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 52 K C 2.245 178.868 176.600 0.038 0.000 1.050 52 K CA 1.098 57.392 56.287 0.012 0.000 0.935 52 K CB -0.326 32.167 32.500 -0.011 0.000 0.715 52 K HN 0.145 nan 8.250 nan 0.000 0.439 53 G N 1.190 110.020 108.800 0.051 0.000 2.484 53 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 53 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 53 G C 1.525 176.538 174.900 0.189 0.000 1.219 53 G CA 0.935 46.109 45.100 0.123 0.000 0.791 53 G HN 0.117 nan 8.290 nan 0.000 0.550 54 V N 1.088 121.066 119.914 0.106 0.000 2.913 54 V HA 0.308 4.428 4.120 -0.000 0.000 0.260 54 V C 1.414 177.440 176.094 -0.114 0.000 1.098 54 V CA 0.724 62.967 62.300 -0.095 0.000 1.121 54 V CB -1.505 30.291 31.823 -0.046 0.000 0.714 54 V HN 1.139 nan 8.190 nan 0.000 0.487 55 G N -0.198 108.591 108.800 -0.020 0.000 3.322 55 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 55 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 55 G C 0.322 175.216 174.900 -0.011 0.000 1.015 55 G CA -0.206 44.885 45.100 -0.015 0.000 0.826 55 G HN 0.746 nan 8.290 nan 0.000 0.538 56 A N 1.299 124.119 122.820 0.001 0.000 2.259 56 A HA 0.374 4.694 4.320 -0.000 0.000 0.212 56 A C 2.416 179.996 177.584 -0.005 0.000 1.178 56 A CA 2.285 54.322 52.037 0.000 0.000 0.734 56 A CB -0.135 18.866 19.000 0.003 0.000 0.774 56 A HN 2.372 nan 8.150 nan 0.000 0.481 57 A N -1.571 121.243 122.820 -0.009 0.000 2.303 57 A HA 0.325 4.645 4.320 -0.000 0.000 0.217 57 A C 1.251 178.825 177.584 -0.016 0.000 1.205 57 A CA 0.818 52.849 52.037 -0.010 0.000 0.875 57 A CB -0.285 18.712 19.000 -0.005 0.000 0.910 57 A HN 0.346 nan 8.150 nan 0.000 0.501 58 T N -0.595 113.944 114.554 -0.025 0.000 2.904 58 T HA 0.247 4.597 4.350 -0.000 0.000 0.290 58 T C 0.712 175.394 174.700 -0.030 0.000 1.018 58 T CA 0.006 62.086 62.100 -0.033 0.000 1.075 58 T CB 0.621 69.456 68.868 -0.056 0.000 0.986 58 T HN 0.294 nan 8.240 nan 0.000 0.523 59 D N 2.540 122.922 120.400 -0.030 0.000 2.123 59 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 59 D C 1.957 178.233 176.300 -0.040 0.000 0.992 59 D CA 1.352 55.333 54.000 -0.032 0.000 0.833 59 D CB -0.172 40.610 40.800 -0.030 0.000 0.954 59 D HN 0.585 nan 8.370 nan 0.000 0.455 60 I N 0.160 120.703 120.570 -0.046 0.000 2.091 60 I HA -0.291 3.879 4.170 -0.000 0.000 0.239 60 I C 2.307 178.393 176.117 -0.051 0.000 1.061 60 I CA 0.930 62.197 61.300 -0.055 0.000 1.317 60 I CB -0.487 37.477 38.000 -0.060 0.000 1.031 60 I HN -0.037 nan 8.210 nan 0.000 0.401 61 V N 0.670 120.565 119.914 -0.033 0.000 2.295 61 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 61 V C 2.548 178.633 176.094 -0.015 0.000 1.049 61 V CA 1.892 64.186 62.300 -0.010 0.000 1.024 61 V CB -0.814 31.013 31.823 0.006 0.000 0.648 61 V HN 0.357 nan 8.190 nan 0.000 0.447 62 R N 0.740 121.228 120.500 -0.021 0.000 2.115 62 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 62 R C 1.676 177.960 176.300 -0.026 0.000 1.111 62 R CA 1.611 57.700 56.100 -0.019 0.000 0.976 62 R CB -0.071 30.218 30.300 -0.018 0.000 0.870 62 R HN 0.693 nan 8.270 nan 0.000 0.445 63 K N -1.566 118.810 120.400 -0.040 0.000 2.614 63 K HA 0.161 4.481 4.320 -0.000 0.000 0.190 63 K C -0.107 176.442 176.600 -0.085 0.000 1.255 63 K CA -0.098 56.159 56.287 -0.050 0.000 1.099 63 K CB 0.698 33.175 32.500 -0.038 0.000 1.023 63 K HN -0.070 nan 8.250 nan 0.000 0.576 64 E N 1.365 121.503 120.200 -0.104 0.000 2.758 64 E HA 0.302 4.651 4.350 -0.000 0.000 0.215 64 E C -0.643 175.819 176.600 -0.229 0.000 0.985 64 E CA -0.182 56.121 56.400 -0.163 0.000 1.102 64 E CB 0.695 30.329 29.700 -0.110 0.000 1.042 64 E HN 0.262 nan 8.360 nan 0.000 0.480 65 M N 0.766 120.252 119.600 -0.189 0.000 2.364 65 M HA 0.363 4.843 4.480 -0.000 0.000 0.334 65 M C -0.759 175.462 176.300 -0.131 0.000 1.107 65 M CA -0.825 54.382 55.300 -0.155 0.000 0.988 65 M CB 1.353 33.920 32.600 -0.055 0.000 1.673 65 M HN -0.075 nan 8.290 nan 0.000 0.441 66 F N 1.534 121.531 119.950 0.079 0.000 2.509 66 F HA 0.224 4.751 4.527 -0.000 0.000 0.350 66 F C 0.955 176.828 175.800 0.122 0.000 1.220 66 F CA -0.083 57.981 58.000 0.108 0.000 1.151 66 F CB 0.124 39.191 39.000 0.111 0.000 1.379 66 F HN 0.364 nan 8.300 nan 0.000 0.610 67 T N 4.914 119.609 114.554 0.234 0.000 2.855 67 T HA 0.759 5.109 4.350 -0.000 0.000 0.281 67 T C -0.649 174.125 174.700 0.123 0.000 1.007 67 T CA -0.353 61.782 62.100 0.058 0.000 1.009 67 T CB 0.590 69.457 68.868 -0.002 0.000 0.983 67 T HN 0.311 nan 8.240 nan 0.000 0.455 68 F N 1.105 121.055 119.950 -0.001 0.000 2.754 68 F HA 0.722 5.249 4.527 -0.000 0.000 0.320 68 F C -0.824 174.937 175.800 -0.065 0.000 1.156 68 F CA -1.467 56.513 58.000 -0.035 0.000 0.950 68 F CB 1.407 40.368 39.000 -0.065 0.000 1.388 68 F HN 0.525 nan 8.300 nan 0.000 0.485 69 Q N 1.256 121.178 119.800 0.203 0.000 2.282 69 Q HA 0.322 4.662 4.340 -0.000 0.000 0.260 69 Q C -1.374 174.718 176.000 0.154 0.000 0.964 69 Q CA -0.705 55.144 55.803 0.077 0.000 0.880 69 Q CB 1.599 30.366 28.738 0.047 0.000 1.286 69 Q HN 0.704 nan 8.270 nan 0.000 0.445 70 D N 1.077 121.501 120.400 0.040 0.000 2.339 70 D HA 0.065 4.705 4.640 -0.000 0.000 0.245 70 D C -0.444 175.869 176.300 0.023 0.000 1.115 70 D CA -0.323 53.697 54.000 0.034 0.000 0.917 70 D CB 0.857 41.638 40.800 -0.031 0.000 1.192 70 D HN 0.319 nan 8.370 nan 0.000 0.428 71 R N 2.432 122.942 120.500 0.017 0.000 3.641 71 R HA 0.343 4.683 4.340 -0.000 0.000 0.189 71 R C 0.565 176.868 176.300 0.005 0.000 1.706 71 R CA 0.261 56.366 56.100 0.008 0.000 1.311 71 R CB -0.457 29.845 30.300 0.004 0.000 1.330 71 R HN 0.623 nan 8.270 nan 0.000 0.727 72 G N -1.773 107.028 108.800 0.002 0.000 4.258 72 G HA2 0.067 4.027 3.960 -0.000 0.000 0.208 72 G HA3 0.067 4.027 3.960 -0.000 0.000 0.208 72 G C 0.676 175.572 174.900 -0.006 0.000 0.777 72 G CA 0.315 45.414 45.100 -0.002 0.000 0.836 72 G HN 0.586 nan 8.290 nan 0.000 0.499 73 G N -0.232 108.563 108.800 -0.008 0.000 2.391 73 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.204 73 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.204 73 G C 0.455 175.338 174.900 -0.027 0.000 1.012 73 G CA 0.105 45.197 45.100 -0.013 0.000 0.651 73 G HN 0.488 nan 8.290 nan 0.000 0.494 74 R N 1.511 121.989 120.500 -0.036 0.000 2.537 74 R HA 0.315 4.655 4.340 -0.000 0.000 0.281 74 R C 0.339 176.579 176.300 -0.100 0.000 0.988 74 R CA 0.498 56.563 56.100 -0.059 0.000 1.077 74 R CB 0.776 31.044 30.300 -0.054 0.000 0.932 74 R HN 0.326 nan 8.270 nan 0.000 0.409 75 S N 3.442 119.074 115.700 -0.113 0.000 2.465 75 S HA 0.351 4.821 4.470 -0.000 0.000 0.279 75 S C -0.549 173.900 174.600 -0.251 0.000 1.201 75 S CA -0.675 57.424 58.200 -0.168 0.000 1.053 75 S CB 0.182 63.315 63.200 -0.111 0.000 0.953 75 S HN 0.236 nan 8.310 nan 0.000 0.488 76 L N 4.342 125.271 121.223 -0.490 0.000 2.342 76 L HA 0.649 4.988 4.340 -0.000 0.000 0.271 76 L C 0.216 176.663 176.870 -0.704 0.000 1.008 76 L CA -0.190 54.279 54.840 -0.617 0.000 0.818 76 L CB 1.926 43.419 42.059 -0.942 0.000 1.296 76 L HN 0.601 nan 8.230 nan 0.000 0.427 77 T N 2.416 116.832 114.554 -0.230 0.000 2.881 77 T HA 0.480 4.829 4.350 -0.000 0.000 0.290 77 T C -0.654 174.214 174.700 0.281 0.000 1.000 77 T CA -0.543 61.566 62.100 0.015 0.000 0.978 77 T CB 1.537 70.534 68.868 0.216 0.000 0.997 77 T HN 0.121 nan 8.240 nan 0.000 0.443 78 L N 3.842 125.234 121.223 0.282 0.000 2.500 78 L HA 0.218 4.557 4.340 -0.000 0.000 0.272 78 L C 1.260 178.283 176.870 0.255 0.000 1.149 78 L CA 0.113 55.148 54.840 0.326 0.000 0.897 78 L CB -0.043 42.138 42.059 0.203 0.000 1.178 78 L HN 0.519 nan 8.230 nan 0.000 0.473 79 R N 7.982 128.646 120.500 0.273 0.000 2.501 79 R HA -0.060 4.280 4.340 -0.000 0.000 0.319 79 R C -1.892 174.292 176.300 -0.193 0.000 0.913 79 R CA -0.339 55.698 56.100 -0.106 0.000 1.104 79 R CB 0.395 30.803 30.300 0.180 0.000 0.901 79 R HN 0.437 nan 8.270 nan 0.000 0.407 80 P HA 0.074 nan 4.420 nan 0.000 0.252 80 P C -0.299 176.891 177.300 -0.183 0.000 1.218 80 P CA 0.588 63.533 63.100 -0.258 0.000 0.807 80 P CB 0.535 32.066 31.700 -0.281 0.000 1.072 81 E N -0.896 119.165 120.200 -0.230 0.000 2.401 81 E HA 0.315 4.665 4.350 -0.000 0.000 0.280 81 E C -0.337 176.255 176.600 -0.013 0.000 1.039 81 E CA -0.471 55.887 56.400 -0.070 0.000 0.814 81 E CB 0.807 30.507 29.700 -0.000 0.000 1.275 81 E HN -0.117 nan 8.360 nan 0.000 0.448 82 G N 0.708 109.507 108.800 -0.003 0.000 2.595 82 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.213 82 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.213 82 G C 1.032 175.923 174.900 -0.014 0.000 1.141 82 G CA 1.134 46.235 45.100 0.002 0.000 0.806 82 G HN 0.553 nan 8.290 nan 0.000 0.530 83 T N 2.245 116.757 114.554 -0.070 0.000 2.624 83 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 83 T C 2.803 177.352 174.700 -0.252 0.000 1.041 83 T CA 1.882 63.823 62.100 -0.265 0.000 1.159 83 T CB -0.543 68.001 68.868 -0.540 0.000 0.863 83 T HN 0.348 nan 8.240 nan 0.000 0.434 84 A N 1.619 124.382 122.820 -0.095 0.000 1.917 84 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 84 A C 2.700 180.241 177.584 -0.071 0.000 1.182 84 A CA 2.177 54.175 52.037 -0.065 0.000 0.633 84 A CB -1.262 17.798 19.000 0.101 0.000 0.819 84 A HN 0.566 nan 8.150 nan 0.000 0.448 85 A N -0.883 121.947 122.820 0.017 0.000 1.902 85 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 85 A C 2.211 179.779 177.584 -0.027 0.000 1.181 85 A CA 1.982 54.016 52.037 -0.004 0.000 0.623 85 A CB -0.501 18.556 19.000 0.095 0.000 0.818 85 A HN 0.455 nan 8.150 nan 0.000 0.443 86 M N -0.359 119.218 119.600 -0.039 0.000 2.080 86 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 86 M C 2.217 178.508 176.300 -0.015 0.000 1.068 86 M CA 1.394 56.674 55.300 -0.034 0.000 1.109 86 M CB -1.299 31.260 32.600 -0.068 0.000 1.342 86 M HN 0.260 nan 8.290 nan 0.000 0.405 87 V N -0.022 119.848 119.914 -0.073 0.000 2.427 87 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 87 V C 2.649 178.735 176.094 -0.013 0.000 1.051 87 V CA 1.452 63.714 62.300 -0.064 0.000 1.048 87 V CB -0.870 30.871 31.823 -0.136 0.000 0.666 87 V HN 0.437 nan 8.190 nan 0.000 0.456 88 R N 0.694 121.163 120.500 -0.052 0.000 2.081 88 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 88 R C 2.262 178.532 176.300 -0.051 0.000 1.131 88 R CA 1.921 57.980 56.100 -0.068 0.000 0.960 88 R CB -0.603 29.632 30.300 -0.109 0.000 0.856 88 R HN 0.481 nan 8.270 nan 0.000 0.436 89 A N -0.044 122.773 122.820 -0.004 0.000 1.873 89 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 89 A C 2.121 179.745 177.584 0.066 0.000 1.186 89 A CA 1.327 53.399 52.037 0.058 0.000 0.616 89 A CB -0.961 18.114 19.000 0.125 0.000 0.823 89 A HN 0.530 nan 8.150 nan 0.000 0.442 90 Y N 0.113 120.363 120.300 -0.083 0.000 2.081 90 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 90 Y C 1.990 177.778 175.900 -0.187 0.000 1.163 90 Y CA 1.970 59.974 58.100 -0.160 0.000 1.135 90 Y CB -0.355 38.021 38.460 -0.140 0.000 0.970 90 Y HN 0.212 nan 8.280 nan 0.000 0.498 91 L N 0.811 122.093 121.223 0.098 0.000 1.976 91 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 91 L C 2.582 179.362 176.870 -0.150 0.000 1.071 91 L CA 2.352 57.189 54.840 -0.005 0.000 0.746 91 L CB -1.468 40.590 42.059 -0.001 0.000 0.890 91 L HN 0.415 nan 8.230 nan 0.000 0.432 92 E N -1.218 118.859 120.200 -0.204 0.000 2.097 92 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 92 E C 1.576 177.926 176.600 -0.418 0.000 1.000 92 E CA 1.332 57.534 56.400 -0.331 0.000 0.804 92 E CB -0.039 29.394 29.700 -0.444 0.000 0.740 92 E HN 0.583 nan 8.360 nan 0.000 0.454 93 H N -0.996 117.963 119.070 -0.184 0.000 2.536 93 H HA 0.147 4.702 4.556 -0.000 0.000 0.276 93 H C 0.980 176.118 175.328 -0.317 0.000 1.019 93 H CA 0.717 56.643 56.048 -0.203 0.000 1.159 93 H CB 0.392 30.040 29.762 -0.191 0.000 1.373 93 H HN 0.389 nan 8.280 nan 0.000 0.584 94 G N 1.779 110.405 108.800 -0.291 0.000 2.341 94 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.292 94 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.292 94 G C 1.135 175.645 174.900 -0.651 0.000 1.021 94 G CA 0.596 45.494 45.100 -0.337 0.000 0.905 94 G HN 0.412 nan 8.290 nan 0.000 0.508 95 M N -0.437 118.493 119.600 -1.118 0.000 2.632 95 M HA -0.044 4.435 4.480 -0.000 0.000 0.256 95 M C 2.595 178.112 176.300 -1.306 0.000 1.080 95 M CA 1.835 56.011 55.300 -1.874 0.000 1.084 95 M CB -0.316 31.081 32.600 -2.005 0.000 1.439 95 M HN 0.633 nan 8.290 nan 0.000 0.509 96 K N 0.748 120.623 120.400 -0.876 0.000 2.211 96 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 96 K C 1.423 177.948 176.600 -0.126 0.000 1.050 96 K CA 1.629 57.742 56.287 -0.290 0.000 0.945 96 K CB -0.705 31.751 32.500 -0.073 0.000 0.732 96 K HN 0.430 nan 8.250 nan 0.000 0.451 97 V N -2.684 117.139 119.914 -0.152 0.000 3.573 97 V HA 0.094 4.214 4.120 -0.000 0.000 0.270 97 V C 0.402 176.619 176.094 0.204 0.000 1.221 97 V CA -0.577 61.742 62.300 0.031 0.000 1.163 97 V CB -1.002 30.851 31.823 0.050 0.000 0.847 97 V HN 0.186 nan 8.190 nan 0.000 0.468 98 W N 1.581 122.848 121.300 -0.054 0.000 2.183 98 W HA 0.508 5.167 4.660 -0.000 0.000 0.348 98 W C -2.138 174.384 176.519 0.005 0.000 1.257 98 W CA -2.939 54.389 57.345 -0.029 0.000 1.324 98 W CB -0.592 28.843 29.460 -0.042 0.000 1.144 98 W HN 0.016 nan 8.180 nan 0.000 0.622 99 P HA -0.033 nan 4.420 nan 0.000 0.267 99 P C -0.347 177.062 177.300 0.182 0.000 1.209 99 P CA 0.284 63.480 63.100 0.160 0.000 0.763 99 P CB 0.804 32.564 31.700 0.101 0.000 0.816 100 Q N 3.756 123.645 119.800 0.148 0.000 2.260 100 Q HA 0.405 4.745 4.340 -0.000 0.000 0.242 100 Q C -1.610 174.458 176.000 0.113 0.000 0.932 100 Q CA -1.557 54.333 55.803 0.145 0.000 0.891 100 Q CB -0.023 28.788 28.738 0.122 0.000 1.222 100 Q HN 0.482 nan 8.270 nan 0.000 0.453 101 P HA 0.270 nan 4.420 nan 0.000 0.281 101 P C -0.777 176.625 177.300 0.169 0.000 1.249 101 P CA -0.517 62.657 63.100 0.123 0.000 0.810 101 P CB 0.949 32.700 31.700 0.085 0.000 1.008 102 V N 3.706 123.750 119.914 0.216 0.000 2.385 102 V HA 0.240 4.359 4.120 -0.000 0.000 0.269 102 V C 0.915 177.119 176.094 0.184 0.000 1.043 102 V CA -0.375 62.088 62.300 0.272 0.000 0.906 102 V CB 0.026 32.078 31.823 0.381 0.000 0.995 102 V HN 0.473 nan 8.190 nan 0.000 0.467 103 R N 5.617 126.226 120.500 0.183 0.000 2.265 103 R HA 0.726 5.066 4.340 -0.000 0.000 0.319 103 R C -1.046 175.353 176.300 0.166 0.000 1.006 103 R CA -0.414 55.760 56.100 0.124 0.000 0.880 103 R CB 1.183 31.634 30.300 0.252 0.000 1.077 103 R HN 0.588 nan 8.270 nan 0.000 0.454 104 L N 3.461 124.722 121.223 0.063 0.000 2.370 104 L HA 0.667 5.007 4.340 -0.000 0.000 0.266 104 L C -0.686 176.289 176.870 0.176 0.000 1.002 104 L CA -0.940 53.973 54.840 0.122 0.000 0.818 104 L CB 1.744 43.836 42.059 0.055 0.000 1.325 104 L HN 0.662 nan 8.230 nan 0.000 0.418 105 W N 3.517 124.838 121.300 0.035 0.000 3.118 105 W HA 0.784 5.444 4.660 -0.000 0.000 0.328 105 W C -1.712 174.809 176.519 0.002 0.000 1.239 105 W CA -1.080 56.283 57.345 0.031 0.000 1.176 105 W CB 1.800 31.330 29.460 0.118 0.000 1.433 105 W HN 0.646 nan 8.180 nan 0.000 0.562 106 M N 2.412 121.896 119.600 -0.193 0.000 2.732 106 M HA 0.820 5.300 4.480 -0.000 0.000 0.272 106 M C -2.142 174.076 176.300 -0.135 0.000 1.203 106 M CA -0.575 54.417 55.300 -0.514 0.000 0.841 106 M CB 2.053 34.452 32.600 -0.335 0.000 1.685 106 M HN 0.742 nan 8.290 nan 0.000 0.492 107 A N 0.954 123.678 122.820 -0.160 0.000 2.381 107 A HA 0.995 5.315 4.320 -0.000 0.000 0.299 107 A C -0.497 177.056 177.584 -0.051 0.000 1.049 107 A CA 0.065 52.093 52.037 -0.016 0.000 0.715 107 A CB 1.385 20.466 19.000 0.135 0.000 1.222 107 A HN 1.651 nan 8.150 nan 0.000 0.428 108 G N 1.492 110.260 108.800 -0.053 0.000 2.495 108 G HA2 0.734 4.694 3.960 -0.000 0.000 0.294 108 G HA3 0.734 4.694 3.960 -0.000 0.000 0.294 108 G C -3.503 171.310 174.900 -0.145 0.000 1.397 108 G CA -0.810 44.269 45.100 -0.036 0.000 0.790 108 G HN 0.528 nan 8.290 nan 0.000 0.486 109 P HA 0.425 nan 4.420 nan 0.000 0.275 109 P C -0.847 175.788 177.300 -1.109 0.000 1.228 109 P CA -0.102 62.502 63.100 -0.827 0.000 0.786 109 P CB 1.294 32.638 31.700 -0.594 0.000 0.927 110 M N 2.455 121.111 119.600 -1.573 0.000 2.530 110 M HA 0.470 4.949 4.480 -0.000 0.000 0.307 110 M C -0.729 174.600 176.300 -1.617 0.000 1.161 110 M CA -0.544 53.862 55.300 -1.490 0.000 0.903 110 M CB 1.524 33.259 32.600 -1.442 0.000 1.711 110 M HN 0.214 nan 8.290 nan 0.000 0.451 111 F N 1.020 120.823 119.950 -0.245 0.000 2.507 111 F HA 0.692 5.219 4.527 -0.000 0.000 0.325 111 F C -0.065 175.835 175.800 0.166 0.000 1.116 111 F CA -0.792 57.262 58.000 0.091 0.000 0.930 111 F CB 1.654 40.815 39.000 0.268 0.000 1.146 111 F HN 0.425 nan 8.300 nan 0.000 0.447 112 R N 1.512 122.241 120.500 0.382 0.000 2.502 112 R HA 0.668 5.008 4.340 -0.000 0.000 0.298 112 R C -0.903 175.292 176.300 -0.176 0.000 1.018 112 R CA -0.684 55.468 56.100 0.085 0.000 0.899 112 R CB 1.884 32.288 30.300 0.174 0.000 1.181 112 R HN 0.786 nan 8.270 nan 0.000 0.444 113 A N 3.781 126.164 122.820 -0.728 0.000 2.655 113 A HA 0.158 4.478 4.320 -0.000 0.000 0.297 113 A C -0.369 177.056 177.584 -0.264 0.000 1.461 113 A CA 0.179 51.708 52.037 -0.847 0.000 1.146 113 A CB -0.170 18.207 19.000 -1.038 0.000 1.108 113 A HN 0.704 nan 8.150 nan 0.000 0.550 114 E N 1.108 121.260 120.200 -0.080 0.000 2.202 114 E HA 0.289 4.639 4.350 -0.000 0.000 0.272 114 E C -0.055 176.550 176.600 0.009 0.000 0.951 114 E CA -1.024 55.361 56.400 -0.025 0.000 0.813 114 E CB 1.614 31.317 29.700 0.005 0.000 1.151 114 E HN 0.680 nan 8.360 nan 0.000 0.398 115 R N 3.582 124.082 120.500 -0.000 0.000 2.488 115 R HA 0.015 4.355 4.340 -0.000 0.000 0.317 115 R C -1.923 174.390 176.300 0.023 0.000 0.941 115 R CA -0.838 55.269 56.100 0.011 0.000 1.076 115 R CB 0.161 30.462 30.300 0.002 0.000 0.917 115 R HN 0.227 nan 8.270 nan 0.000 0.407 116 P HA -0.068 nan 4.420 nan 0.000 0.262 116 P C -1.325 175.987 177.300 0.020 0.000 1.199 116 P CA 0.399 63.521 63.100 0.037 0.000 0.763 116 P CB 0.525 32.253 31.700 0.047 0.000 0.790 117 Q N 2.085 121.892 119.800 0.012 0.000 3.293 117 Q HA 0.090 4.430 4.340 -0.000 0.000 0.125 117 Q C -0.053 175.942 176.000 -0.008 0.000 0.561 117 Q CA -0.698 55.107 55.803 0.003 0.000 1.020 117 Q CB -0.750 27.989 28.738 0.002 0.000 1.481 117 Q HN 0.274 nan 8.270 nan 0.000 0.359 118 K N -0.094 120.299 120.400 -0.013 0.000 11.019 118 K HA -0.291 4.029 4.320 -0.000 0.000 0.526 118 K C 0.923 177.495 176.600 -0.045 0.000 0.390 118 K CA 1.832 58.095 56.287 -0.039 0.000 1.933 118 K CB -2.021 30.453 32.500 -0.045 0.000 0.774 118 K HN 1.248 nan 8.250 nan 0.000 1.230 119 G N 2.597 111.376 108.800 -0.036 0.000 2.361 119 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.294 119 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.294 119 G C 0.351 175.225 174.900 -0.044 0.000 1.004 119 G CA 1.805 46.888 45.100 -0.028 0.000 0.870 119 G HN 0.454 nan 8.290 nan 0.000 0.510 120 R N -2.825 117.612 120.500 -0.104 0.000 4.022 120 R HA -0.245 4.095 4.340 -0.000 0.000 0.233 120 R C 0.173 176.278 176.300 -0.325 0.000 0.305 120 R CA 1.907 57.895 56.100 -0.187 0.000 0.879 120 R CB -1.492 28.790 30.300 -0.031 0.000 0.973 120 R HN 0.834 nan 8.270 nan 0.000 0.570 121 Y N 0.282 120.607 120.300 0.042 0.000 2.442 121 Y HA 0.485 5.035 4.550 -0.000 0.000 0.344 121 Y C 1.239 177.258 175.900 0.198 0.000 0.976 121 Y CA -0.640 57.536 58.100 0.127 0.000 1.040 121 Y CB 1.938 40.500 38.460 0.170 0.000 1.228 121 Y HN 0.227 nan 8.280 nan 0.000 0.451 122 R N 0.368 121.124 120.500 0.428 0.000 2.237 122 R HA 0.115 4.455 4.340 -0.000 0.000 0.195 122 R C -0.140 176.481 176.300 0.536 0.000 0.956 122 R CA 0.365 56.745 56.100 0.466 0.000 1.029 122 R CB 0.645 31.229 30.300 0.473 0.000 0.972 122 R HN 0.589 nan 8.270 nan 0.000 0.493 123 Q N 0.785 120.851 119.800 0.444 0.000 2.303 123 Q HA 0.268 4.607 4.340 -0.000 0.000 0.267 123 Q C -1.495 174.542 176.000 0.061 0.000 1.011 123 Q CA -0.712 55.196 55.803 0.174 0.000 0.740 123 Q CB 0.980 29.856 28.738 0.230 0.000 1.250 123 Q HN 0.014 nan 8.270 nan 0.000 0.458 124 F N -0.104 119.640 119.950 -0.345 0.000 2.679 124 F HA 0.719 5.246 4.527 -0.000 0.000 0.341 124 F C -1.232 174.170 175.800 -0.663 0.000 1.095 124 F CA -1.150 56.592 58.000 -0.431 0.000 1.004 124 F CB 1.009 39.821 39.000 -0.313 0.000 1.388 124 F HN 0.408 nan 8.300 nan 0.000 0.505 125 H N -0.396 118.580 119.070 -0.157 0.000 2.600 125 H HA 0.547 5.103 4.556 -0.000 0.000 0.357 125 H C -1.193 174.062 175.328 -0.122 0.000 1.106 125 H CA -0.784 55.130 56.048 -0.223 0.000 1.193 125 H CB 1.915 31.610 29.762 -0.113 0.000 1.594 125 H HN 0.696 nan 8.280 nan 0.000 0.526 126 Q N 0.960 120.702 119.800 -0.095 0.000 2.421 126 Q HA 0.664 5.004 4.340 -0.000 0.000 0.280 126 Q C -1.700 174.164 176.000 -0.227 0.000 1.085 126 Q CA -1.202 54.527 55.803 -0.124 0.000 0.807 126 Q CB 2.212 30.940 28.738 -0.017 0.000 1.405 126 Q HN 0.354 nan 8.270 nan 0.000 0.419 127 V N 2.288 121.898 119.914 -0.505 0.000 2.465 127 V HA 0.350 4.470 4.120 -0.000 0.000 0.279 127 V C -0.621 175.299 176.094 -0.290 0.000 1.045 127 V CA -0.442 61.600 62.300 -0.430 0.000 0.938 127 V CB 1.074 32.385 31.823 -0.853 0.000 0.986 127 V HN 0.868 nan 8.190 nan 0.000 0.467 128 N N 3.055 121.697 118.700 -0.098 0.000 2.354 128 N HA 0.485 5.225 4.740 -0.000 0.000 0.287 128 N C -1.541 173.929 175.510 -0.067 0.000 1.016 128 N CA -0.563 52.419 53.050 -0.114 0.000 0.871 128 N CB 1.447 39.885 38.487 -0.081 0.000 1.299 128 N HN 0.628 nan 8.380 nan 0.000 0.482 129 Y N 2.073 122.095 120.300 -0.464 0.000 2.429 129 Y HA 0.659 5.208 4.550 -0.000 0.000 0.342 129 Y C -1.146 174.657 175.900 -0.161 0.000 1.004 129 Y CA -0.661 57.219 58.100 -0.367 0.000 1.075 129 Y CB 1.662 39.627 38.460 -0.825 0.000 1.214 129 Y HN 0.487 nan 8.280 nan 0.000 0.455 130 E N 3.055 122.747 120.200 -0.847 0.000 2.304 130 E HA 0.727 5.077 4.350 -0.000 0.000 0.277 130 E C -1.765 174.448 176.600 -0.645 0.000 0.898 130 E CA -0.575 55.502 56.400 -0.538 0.000 0.764 130 E CB 1.948 31.532 29.700 -0.194 0.000 1.216 130 E HN 0.726 nan 8.360 nan 0.000 0.419 131 A N 4.366 126.959 122.820 -0.379 0.000 2.310 131 A HA 0.713 5.033 4.320 -0.000 0.000 0.304 131 A C -1.215 176.298 177.584 -0.119 0.000 1.231 131 A CA -0.501 51.429 52.037 -0.178 0.000 0.799 131 A CB 0.151 19.141 19.000 -0.017 0.000 1.162 131 A HN 0.502 nan 8.150 nan 0.000 0.486 132 L N 1.439 122.601 121.223 -0.101 0.000 2.333 132 L HA 0.791 5.131 4.340 -0.000 0.000 0.269 132 L C 1.188 177.982 176.870 -0.126 0.000 1.010 132 L CA 0.010 54.721 54.840 -0.215 0.000 0.818 132 L CB 2.005 43.787 42.059 -0.462 0.000 1.306 132 L HN 1.156 nan 8.230 nan 0.000 0.430 133 G N 0.829 109.518 108.800 -0.185 0.000 2.144 133 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 133 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 133 G C -0.057 174.833 174.900 -0.017 0.000 0.988 133 G CA 0.152 45.222 45.100 -0.050 0.000 0.659 133 G HN 0.708 nan 8.290 nan 0.000 0.522 134 S N -1.205 114.470 115.700 -0.042 0.000 2.535 134 S HA 0.561 5.031 4.470 -0.000 0.000 0.272 134 S C 0.328 174.924 174.600 -0.007 0.000 1.149 134 S CA 0.552 58.748 58.200 -0.006 0.000 0.888 134 S CB 1.817 65.031 63.200 0.025 0.000 1.110 134 S HN 0.412 nan 8.310 nan 0.000 0.463 135 E N 2.880 123.093 120.200 0.022 0.000 2.442 135 E HA 0.152 4.502 4.350 -0.000 0.000 0.195 135 E C 0.476 177.184 176.600 0.179 0.000 1.030 135 E CA 0.242 56.678 56.400 0.060 0.000 0.869 135 E CB 0.057 29.781 29.700 0.041 0.000 0.857 135 E HN 0.583 nan 8.360 nan 0.000 0.505 136 N N 1.901 120.669 118.700 0.113 0.000 2.365 136 N HA -0.070 4.670 4.740 -0.000 0.000 0.265 136 N C -1.713 173.849 175.510 0.087 0.000 1.288 136 N CA -0.512 52.593 53.050 0.092 0.000 0.869 136 N CB 1.073 39.590 38.487 0.051 0.000 1.071 136 N HN 0.109 nan 8.380 nan 0.000 0.480 137 P HA -0.091 nan 4.420 nan 0.000 0.231 137 P C 1.530 178.848 177.300 0.031 0.000 1.158 137 P CA 0.715 63.689 63.100 -0.210 0.000 0.763 137 P CB 0.332 31.652 31.700 -0.634 0.000 0.805 138 I N -0.478 120.110 120.570 0.030 0.000 2.315 138 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 138 I C 2.470 178.570 176.117 -0.030 0.000 1.117 138 I CA 1.116 62.356 61.300 -0.100 0.000 1.404 138 I CB -0.432 37.464 38.000 -0.173 0.000 1.071 138 I HN -0.107 nan 8.210 nan 0.000 0.419 139 L N 0.190 121.435 121.223 0.036 0.000 2.083 139 L HA -0.226 4.113 4.340 -0.000 0.000 0.209 139 L C 1.943 178.886 176.870 0.122 0.000 1.083 139 L CA 1.380 56.276 54.840 0.093 0.000 0.752 139 L CB -0.774 41.347 42.059 0.102 0.000 0.899 139 L HN 0.231 nan 8.230 nan 0.000 0.433 140 D N 0.487 120.952 120.400 0.108 0.000 2.117 140 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 140 D C 2.280 178.556 176.300 -0.040 0.000 0.987 140 D CA 1.395 55.457 54.000 0.102 0.000 0.829 140 D CB -0.127 40.758 40.800 0.142 0.000 0.961 140 D HN 0.297 nan 8.370 nan 0.000 0.460 141 A N 0.682 123.481 122.820 -0.035 0.000 1.877 141 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 141 A C 2.109 179.625 177.584 -0.114 0.000 1.186 141 A CA 1.780 53.759 52.037 -0.096 0.000 0.620 141 A CB -0.706 18.297 19.000 0.006 0.000 0.822 141 A HN 0.260 nan 8.150 nan 0.000 0.443 142 E N -0.133 120.039 120.200 -0.046 0.000 2.058 142 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 142 E C 2.165 178.767 176.600 0.005 0.000 0.997 142 E CA 1.174 57.563 56.400 -0.017 0.000 0.801 142 E CB -0.288 29.437 29.700 0.041 0.000 0.746 142 E HN 0.530 nan 8.360 nan 0.000 0.450 143 A N 0.473 123.365 122.820 0.120 0.000 1.908 143 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 143 A C 2.416 179.978 177.584 -0.038 0.000 1.181 143 A CA 1.748 53.972 52.037 0.311 0.000 0.627 143 A CB -0.770 18.568 19.000 0.564 0.000 0.818 143 A HN 0.242 nan 8.150 nan 0.000 0.445 144 V N -0.305 119.341 119.914 -0.447 0.000 2.343 144 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 144 V C 2.553 178.453 176.094 -0.324 0.000 1.051 144 V CA 1.957 63.835 62.300 -0.703 0.000 1.036 144 V CB -0.829 30.515 31.823 -0.797 0.000 0.654 144 V HN 0.387 nan 8.190 nan 0.000 0.451 145 V N -0.247 119.542 119.914 -0.209 0.000 2.427 145 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 145 V C 2.298 178.351 176.094 -0.069 0.000 1.051 145 V CA 1.673 63.921 62.300 -0.086 0.000 1.048 145 V CB -0.621 31.163 31.823 -0.065 0.000 0.666 145 V HN 0.425 nan 8.190 nan 0.000 0.456 146 L N -0.633 120.512 121.223 -0.131 0.000 2.017 146 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 146 L C 2.498 179.218 176.870 -0.251 0.000 1.073 146 L CA 1.366 56.123 54.840 -0.138 0.000 0.745 146 L CB -0.632 41.347 42.059 -0.133 0.000 0.894 146 L HN 0.351 nan 8.230 nan 0.000 0.432 147 L N -0.878 119.951 121.223 -0.657 0.000 2.017 147 L HA -0.279 4.061 4.340 -0.000 0.000 0.208 147 L C 2.497 179.183 176.870 -0.306 0.000 1.073 147 L CA 1.855 56.166 54.840 -0.881 0.000 0.745 147 L CB -0.897 40.543 42.059 -1.032 0.000 0.894 147 L HN 0.172 nan 8.230 nan 0.000 0.432 148 Y N 0.565 120.687 120.300 -0.296 0.000 2.128 148 Y HA -0.226 4.324 4.550 -0.000 0.000 0.284 148 Y C 2.488 178.287 175.900 -0.167 0.000 1.154 148 Y CA 2.165 60.154 58.100 -0.185 0.000 1.149 148 Y CB -0.187 38.189 38.460 -0.140 0.000 0.976 148 Y HN 0.305 nan 8.280 nan 0.000 0.505 149 E N -0.768 119.337 120.200 -0.158 0.000 2.150 149 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 149 E C 2.475 178.942 176.600 -0.222 0.000 0.985 149 E CA 1.198 57.470 56.400 -0.212 0.000 0.814 149 E CB -0.881 28.758 29.700 -0.101 0.000 0.752 149 E HN 0.524 nan 8.360 nan 0.000 0.466 150 C N 0.518 119.706 119.300 -0.188 0.000 2.413 150 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 150 C C 2.785 177.602 174.990 -0.289 0.000 1.248 150 C CA 0.578 59.498 59.018 -0.164 0.000 1.742 150 C CB -1.107 26.612 27.740 -0.036 0.000 2.017 150 C HN 0.354 nan 8.230 nan 0.000 0.481 151 L N 0.101 121.097 121.223 -0.377 0.000 2.095 151 L HA -0.054 4.286 4.340 -0.000 0.000 0.204 151 L C 2.552 179.210 176.870 -0.354 0.000 1.080 151 L CA 1.119 55.721 54.840 -0.396 0.000 0.759 151 L CB -0.661 41.175 42.059 -0.371 0.000 0.914 151 L HN 0.137 nan 8.230 nan 0.000 0.439 152 K N 0.468 120.622 120.400 -0.411 0.000 2.063 152 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 152 K C 2.082 178.524 176.600 -0.264 0.000 1.048 152 K CA 1.295 57.348 56.287 -0.391 0.000 0.928 152 K CB -0.056 32.123 32.500 -0.536 0.000 0.713 152 K HN 0.139 nan 8.250 nan 0.000 0.442 153 E N 0.141 120.199 120.200 -0.235 0.000 2.204 153 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 153 E C 1.842 178.322 176.600 -0.200 0.000 0.989 153 E CA 0.766 57.060 56.400 -0.177 0.000 0.824 153 E CB -0.031 29.582 29.700 -0.144 0.000 0.756 153 E HN 0.359 nan 8.360 nan 0.000 0.477 154 L N -0.618 120.446 121.223 -0.265 0.000 2.376 154 L HA -0.031 4.308 4.340 -0.000 0.000 0.219 154 L C 1.640 178.184 176.870 -0.544 0.000 1.133 154 L CA 0.848 55.481 54.840 -0.344 0.000 0.816 154 L CB -0.117 41.729 42.059 -0.355 0.000 0.933 154 L HN 0.288 nan 8.230 nan 0.000 0.449 155 G N -0.593 107.953 108.800 -0.423 0.000 2.211 155 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.201 155 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.201 155 G C 0.233 175.017 174.900 -0.192 0.000 0.997 155 G CA -0.533 44.340 45.100 -0.378 0.000 0.652 155 G HN 0.118 nan 8.290 nan 0.000 0.500 156 L N 0.663 121.729 121.223 -0.262 0.000 2.453 156 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 156 L C 1.793 178.662 176.870 -0.002 0.000 1.182 156 L CA -0.150 54.657 54.840 -0.055 0.000 0.858 156 L CB 0.573 42.567 42.059 -0.108 0.000 1.120 156 L HN 0.118 nan 8.230 nan 0.000 0.474 157 R N 1.715 122.270 120.500 0.093 0.000 2.350 157 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 157 R C 0.549 176.885 176.300 0.060 0.000 0.876 157 R CA 0.060 56.195 56.100 0.059 0.000 1.062 157 R CB 0.282 30.628 30.300 0.078 0.000 1.263 157 R HN 0.453 nan 8.270 nan 0.000 0.641 158 R N 1.851 122.393 120.500 0.071 0.000 4.496 158 R HA 0.226 4.566 4.340 -0.000 0.000 0.211 158 R C -0.576 175.703 176.300 -0.035 0.000 1.738 158 R CA 0.089 56.173 56.100 -0.026 0.000 1.528 158 R CB -0.009 30.204 30.300 -0.145 0.000 1.414 158 R HN -0.158 nan 8.270 nan 0.000 0.812 159 L N 0.733 122.001 121.223 0.073 0.000 2.344 159 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 159 L C 0.209 177.156 176.870 0.129 0.000 1.035 159 L CA -0.700 54.220 54.840 0.133 0.000 0.807 159 L CB 1.205 43.370 42.059 0.176 0.000 1.237 159 L HN 0.145 nan 8.230 nan 0.000 0.442 160 K N 2.029 122.517 120.400 0.146 0.000 2.572 160 K HA 0.401 4.721 4.320 -0.000 0.000 0.244 160 K C -1.011 175.680 176.600 0.153 0.000 0.965 160 K CA -0.484 55.870 56.287 0.111 0.000 0.943 160 K CB 1.920 34.455 32.500 0.060 0.000 1.154 160 K HN 0.252 nan 8.250 nan 0.000 0.447 161 V N 3.231 123.223 119.914 0.129 0.000 2.530 161 V HA 0.238 4.358 4.120 -0.000 0.000 0.282 161 V C 0.307 176.486 176.094 0.142 0.000 1.048 161 V CA -0.235 62.147 62.300 0.136 0.000 0.997 161 V CB 0.599 32.441 31.823 0.032 0.000 0.987 161 V HN 0.462 nan 8.190 nan 0.000 0.477 162 K N 4.512 125.016 120.400 0.174 0.000 2.397 162 K HA 0.687 5.006 4.320 -0.000 0.000 0.253 162 K C -1.312 175.395 176.600 0.177 0.000 0.932 162 K CA -0.774 55.604 56.287 0.152 0.000 0.795 162 K CB 2.406 34.960 32.500 0.091 0.000 1.159 162 K HN 0.422 nan 8.250 nan 0.000 0.424 163 L N 0.836 122.155 121.223 0.160 0.000 2.341 163 L HA 0.706 5.046 4.340 -0.000 0.000 0.267 163 L C -0.648 176.281 176.870 0.098 0.000 1.009 163 L CA 0.067 54.971 54.840 0.106 0.000 0.819 163 L CB 2.122 44.134 42.059 -0.078 0.000 1.323 163 L HN 0.739 nan 8.230 nan 0.000 0.425 164 S N 1.202 116.952 115.700 0.083 0.000 2.680 164 S HA 0.770 5.240 4.470 -0.000 0.000 0.276 164 S C -1.801 172.833 174.600 0.056 0.000 1.189 164 S CA -0.037 58.197 58.200 0.057 0.000 0.909 164 S CB 0.798 64.023 63.200 0.042 0.000 1.227 164 S HN 0.987 nan 8.310 nan 0.000 0.501 165 S N -0.320 115.400 115.700 0.033 0.000 2.550 165 S HA 0.577 5.046 4.470 -0.000 0.000 0.270 165 S C -0.248 174.360 174.600 0.013 0.000 1.145 165 S CA 0.099 58.322 58.200 0.038 0.000 0.852 165 S CB 1.413 64.638 63.200 0.042 0.000 1.119 165 S HN 1.546 nan 8.310 nan 0.000 0.465 166 V N 1.225 121.159 119.914 0.033 0.000 3.427 166 V HA 0.692 4.812 4.120 -0.000 0.000 0.305 166 V C 1.158 177.276 176.094 0.041 0.000 1.412 166 V CA 0.666 62.987 62.300 0.035 0.000 1.086 166 V CB -0.791 31.078 31.823 0.077 0.000 0.964 166 V HN 1.608 nan 8.190 nan 0.000 0.439 167 G N 1.329 110.149 108.800 0.032 0.000 2.575 167 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.267 167 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.267 167 G C -0.575 174.345 174.900 0.033 0.000 1.264 167 G CA 0.457 45.575 45.100 0.031 0.000 0.935 167 G HN 0.565 nan 8.290 nan 0.000 0.568 168 D N 1.827 122.249 120.400 0.035 0.000 2.326 168 D HA 0.444 5.084 4.640 -0.000 0.000 0.251 168 D C -0.872 175.458 176.300 0.050 0.000 1.023 168 D CA -0.747 53.272 54.000 0.032 0.000 0.966 168 D CB 1.488 42.302 40.800 0.024 0.000 1.156 168 D HN 0.162 nan 8.370 nan 0.000 0.494 169 P HA -0.201 nan 4.420 nan 0.000 0.217 169 P C 0.692 178.028 177.300 0.060 0.000 1.151 169 P CA 1.514 64.647 63.100 0.056 0.000 0.849 169 P CB 0.552 32.279 31.700 0.046 0.000 0.787 170 E N 0.167 120.401 120.200 0.056 0.000 2.028 170 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 170 E C 1.930 178.581 176.600 0.086 0.000 0.988 170 E CA 1.360 57.798 56.400 0.063 0.000 0.799 170 E CB -0.856 28.876 29.700 0.053 0.000 0.755 170 E HN 0.301 nan 8.360 nan 0.000 0.447 171 D N 0.131 120.584 120.400 0.088 0.000 2.144 171 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 171 D C 1.924 178.305 176.300 0.136 0.000 0.984 171 D CA 0.831 54.903 54.000 0.120 0.000 0.834 171 D CB -0.225 40.633 40.800 0.096 0.000 0.955 171 D HN 0.070 nan 8.370 nan 0.000 0.465 172 R N 0.785 121.350 120.500 0.108 0.000 2.081 172 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 172 R C 2.180 178.552 176.300 0.120 0.000 1.131 172 R CA 1.458 57.629 56.100 0.118 0.000 0.960 172 R CB -0.130 30.228 30.300 0.097 0.000 0.856 172 R HN 0.111 nan 8.270 nan 0.000 0.436 173 A N 1.201 124.079 122.820 0.096 0.000 1.858 173 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 173 A C 2.176 179.814 177.584 0.090 0.000 1.190 173 A CA 1.576 53.660 52.037 0.078 0.000 0.617 173 A CB -0.509 18.531 19.000 0.067 0.000 0.827 173 A HN 0.370 nan 8.150 nan 0.000 0.443 174 R N -2.258 118.318 120.500 0.127 0.000 2.105 174 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 174 R C 2.158 178.552 176.300 0.155 0.000 1.135 174 R CA 1.683 57.884 56.100 0.168 0.000 0.967 174 R CB -0.541 29.898 30.300 0.230 0.000 0.861 174 R HN 0.672 nan 8.270 nan 0.000 0.442 175 Y N 2.139 122.391 120.300 -0.081 0.000 2.242 175 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 175 Y C 1.880 177.699 175.900 -0.136 0.000 1.137 175 Y CA 1.144 59.019 58.100 -0.375 0.000 1.181 175 Y CB -0.282 37.945 38.460 -0.388 0.000 0.989 175 Y HN 0.011 nan 8.280 nan 0.000 0.527 176 N N 0.358 119.009 118.700 -0.082 0.000 2.084 176 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 176 N C 2.044 177.481 175.510 -0.123 0.000 1.030 176 N CA 1.543 54.514 53.050 -0.132 0.000 0.849 176 N CB -0.752 37.715 38.487 -0.032 0.000 1.012 176 N HN 0.473 nan 8.380 nan 0.000 0.423 177 A N 0.651 123.451 122.820 -0.034 0.000 1.883 177 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 177 A C 2.189 179.765 177.584 -0.015 0.000 1.186 177 A CA 1.539 53.573 52.037 -0.004 0.000 0.624 177 A CB -1.205 17.828 19.000 0.054 0.000 0.822 177 A HN 0.482 nan 8.150 nan 0.000 0.444 178 Y N 0.598 120.823 120.300 -0.125 0.000 2.128 178 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 178 Y C 1.910 177.693 175.900 -0.195 0.000 1.154 178 Y CA 2.013 60.042 58.100 -0.118 0.000 1.149 178 Y CB -0.492 37.870 38.460 -0.164 0.000 0.976 178 Y HN 0.212 nan 8.280 nan 0.000 0.505 179 L N -0.003 120.902 121.223 -0.531 0.000 2.042 179 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 179 L C 2.713 179.369 176.870 -0.357 0.000 1.076 179 L CA 1.725 56.223 54.840 -0.571 0.000 0.749 179 L CB -0.531 41.237 42.059 -0.484 0.000 0.893 179 L HN 0.182 nan 8.230 nan 0.000 0.432 180 R N -0.038 120.321 120.500 -0.235 0.000 2.073 180 R HA -0.162 4.177 4.340 -0.000 0.000 0.234 180 R C 2.214 178.432 176.300 -0.136 0.000 1.134 180 R CA 1.520 57.532 56.100 -0.146 0.000 0.952 180 R CB -0.321 29.923 30.300 -0.093 0.000 0.850 180 R HN 0.423 nan 8.270 nan 0.000 0.433 181 E N 0.077 120.194 120.200 -0.139 0.000 2.118 181 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 181 E C 1.951 178.481 176.600 -0.116 0.000 0.992 181 E CA 1.498 57.839 56.400 -0.098 0.000 0.804 181 E CB 0.049 29.720 29.700 -0.049 0.000 0.741 181 E HN 0.133 nan 8.360 nan 0.000 0.458 182 V N 0.748 120.521 119.914 -0.236 0.000 2.535 182 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 182 V C 2.081 178.146 176.094 -0.048 0.000 1.045 182 V CA 1.132 63.320 62.300 -0.187 0.000 1.058 182 V CB -0.220 31.350 31.823 -0.421 0.000 0.689 182 V HN 0.209 nan 8.190 nan 0.000 0.461 183 L N 0.546 121.706 121.223 -0.106 0.000 2.168 183 L HA -0.040 4.300 4.340 -0.000 0.000 0.203 183 L C 2.796 179.673 176.870 0.012 0.000 1.078 183 L CA 1.241 56.064 54.840 -0.029 0.000 0.780 183 L CB -0.704 41.299 42.059 -0.093 0.000 0.939 183 L HN 0.488 nan 8.230 nan 0.000 0.451 184 S N 0.716 116.393 115.700 -0.038 0.000 2.372 184 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 184 S C -0.266 174.297 174.600 -0.062 0.000 1.044 184 S CA 1.432 59.606 58.200 -0.044 0.000 1.050 184 S CB -2.147 61.021 63.200 -0.053 0.000 0.901 184 S HN 0.313 nan 8.310 nan 0.000 0.447 185 P HA -0.031 nan 4.420 nan 0.000 0.230 185 P C 0.012 177.093 177.300 -0.366 0.000 1.158 185 P CA 1.210 64.168 63.100 -0.237 0.000 0.769 185 P CB -0.381 31.139 31.700 -0.301 0.000 0.807 186 H N -1.616 117.428 119.070 -0.043 0.000 2.528 186 H HA 0.292 4.848 4.556 -0.000 0.000 0.282 186 H C 2.026 177.332 175.328 -0.037 0.000 1.097 186 H CA -0.342 55.684 56.048 -0.037 0.000 1.121 186 H CB -0.036 29.702 29.762 -0.040 0.000 1.590 186 H HN -0.079 nan 8.280 nan 0.000 0.553 187 R N 1.430 121.945 120.500 0.025 0.000 2.133 187 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 187 R C 0.990 177.294 176.300 0.008 0.000 1.151 187 R CA 1.813 57.916 56.100 0.005 0.000 0.971 187 R CB 0.066 30.355 30.300 -0.019 0.000 0.866 187 R HN 0.495 nan 8.270 nan 0.000 0.447 188 E N -0.839 119.364 120.200 0.006 0.000 2.463 188 E HA -0.128 4.222 4.350 -0.000 0.000 0.201 188 E C 1.062 177.671 176.600 0.014 0.000 1.045 188 E CA 0.708 57.112 56.400 0.005 0.000 0.872 188 E CB 0.138 29.837 29.700 -0.001 0.000 0.797 188 E HN 0.439 nan 8.360 nan 0.000 0.538 189 A N 0.607 123.444 122.820 0.029 0.000 2.387 189 A HA 0.208 4.528 4.320 -0.000 0.000 0.234 189 A C 0.584 178.174 177.584 0.011 0.000 1.253 189 A CA -0.216 51.835 52.037 0.024 0.000 0.894 189 A CB 0.162 19.184 19.000 0.038 0.000 0.963 189 A HN 0.027 nan 8.150 nan 0.000 0.508 190 L N 0.250 121.478 121.223 0.007 0.000 2.399 190 L HA 0.352 4.691 4.340 -0.000 0.000 0.265 190 L C 0.347 177.215 176.870 -0.004 0.000 1.089 190 L CA -0.633 54.206 54.840 -0.002 0.000 0.802 190 L CB 1.522 43.577 42.059 -0.006 0.000 1.180 190 L HN 0.048 nan 8.230 nan 0.000 0.454 191 S N 0.450 116.147 115.700 -0.005 0.000 2.576 191 S HA 0.015 4.485 4.470 -0.000 0.000 0.276 191 S C 0.830 175.426 174.600 -0.006 0.000 1.339 191 S CA -0.534 57.663 58.200 -0.005 0.000 1.039 191 S CB 1.346 64.543 63.200 -0.005 0.000 0.902 191 S HN 0.565 nan 8.310 nan 0.000 0.516 192 E N 1.962 122.159 120.200 -0.006 0.000 2.136 192 E HA -0.232 4.117 4.350 -0.000 0.000 0.202 192 E C 1.554 178.149 176.600 -0.008 0.000 1.019 192 E CA 1.818 58.214 56.400 -0.007 0.000 0.819 192 E CB -0.213 29.483 29.700 -0.006 0.000 0.739 192 E HN 0.759 nan 8.360 nan 0.000 0.458 193 D N -0.771 119.624 120.400 -0.008 0.000 2.092 193 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 193 D C 1.761 178.054 176.300 -0.011 0.000 0.994 193 D CA 1.937 55.932 54.000 -0.009 0.000 0.828 193 D CB -0.239 40.556 40.800 -0.008 0.000 0.963 193 D HN 0.077 nan 8.370 nan 0.000 0.450 194 S N -0.251 115.443 115.700 -0.011 0.000 2.382 194 S HA -0.144 4.325 4.470 -0.000 0.000 0.228 194 S C 1.826 176.415 174.600 -0.018 0.000 1.027 194 S CA 0.990 59.181 58.200 -0.015 0.000 0.991 194 S CB -0.276 62.915 63.200 -0.014 0.000 0.823 194 S HN 0.352 nan 8.310 nan 0.000 0.469 195 K N 1.025 121.415 120.400 -0.015 0.000 2.211 195 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 195 K C 2.074 178.663 176.600 -0.018 0.000 1.047 195 K CA 1.198 57.475 56.287 -0.017 0.000 0.935 195 K CB -0.095 32.397 32.500 -0.013 0.000 0.728 195 K HN 0.500 nan 8.250 nan 0.000 0.452 196 E N 0.402 120.592 120.200 -0.016 0.000 2.051 196 E HA -0.078 4.272 4.350 -0.000 0.000 0.189 196 E C 1.997 178.586 176.600 -0.018 0.000 0.979 196 E CA 0.554 56.945 56.400 -0.015 0.000 0.803 196 E CB 0.047 29.739 29.700 -0.013 0.000 0.761 196 E HN 0.200 nan 8.360 nan 0.000 0.451 197 R N 0.573 121.063 120.500 -0.018 0.000 2.200 197 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 197 R C 2.232 178.516 176.300 -0.027 0.000 1.127 197 R CA 0.518 56.606 56.100 -0.019 0.000 0.989 197 R CB -0.237 30.053 30.300 -0.017 0.000 0.869 197 R HN 0.088 nan 8.270 nan 0.000 0.459 198 L N 1.166 122.370 121.223 -0.032 0.000 2.275 198 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 198 L C 1.876 178.723 176.870 -0.038 0.000 1.119 198 L CA 1.690 56.504 54.840 -0.043 0.000 0.790 198 L CB -0.146 41.888 42.059 -0.042 0.000 0.919 198 L HN 0.067 nan 8.230 nan 0.000 0.443 199 E N -0.003 120.180 120.200 -0.028 0.000 2.033 199 E HA 0.017 4.366 4.350 -0.000 0.000 0.189 199 E C 0.305 176.893 176.600 -0.020 0.000 0.979 199 E CA 0.764 57.150 56.400 -0.023 0.000 0.802 199 E CB 0.101 29.790 29.700 -0.018 0.000 0.763 199 E HN 0.537 nan 8.360 nan 0.000 0.449 200 E N 1.218 121.408 120.200 -0.016 0.000 2.185 200 E HA 0.191 4.541 4.350 -0.000 0.000 0.261 200 E C -1.012 175.582 176.600 -0.010 0.000 0.879 200 E CA -0.481 55.912 56.400 -0.011 0.000 0.756 200 E CB 1.126 30.822 29.700 -0.007 0.000 1.152 200 E HN 0.018 nan 8.360 nan 0.000 0.416 201 N N 3.261 121.958 118.700 -0.007 0.000 2.725 201 N HA -0.116 4.624 4.740 -0.000 0.000 0.256 201 N C -2.350 173.153 175.510 -0.012 0.000 1.087 201 N CA -0.023 53.028 53.050 0.001 0.000 0.690 201 N CB -0.490 38.004 38.487 0.011 0.000 0.891 201 N HN 0.344 nan 8.380 nan 0.000 0.553 202 P HA -0.167 nan 4.420 nan 0.000 0.218 202 P C 1.708 178.975 177.300 -0.055 0.000 1.146 202 P CA 1.201 64.263 63.100 -0.063 0.000 0.813 202 P CB 0.054 31.688 31.700 -0.111 0.000 0.778 203 M N -1.435 118.150 119.600 -0.025 0.000 2.192 203 M HA -0.252 4.228 4.480 -0.000 0.000 0.259 203 M C 2.066 178.389 176.300 0.038 0.000 1.071 203 M CA 1.853 57.176 55.300 0.037 0.000 1.082 203 M CB -0.565 32.106 32.600 0.117 0.000 1.373 203 M HN -0.061 nan 8.290 nan 0.000 0.408 204 R N 0.128 120.640 120.500 0.020 0.000 2.127 204 R HA -0.135 4.204 4.340 -0.000 0.000 0.238 204 R C 2.145 178.451 176.300 0.009 0.000 1.134 204 R CA 1.335 57.444 56.100 0.016 0.000 0.975 204 R CB -0.710 29.594 30.300 0.006 0.000 0.865 204 R HN 0.446 nan 8.270 nan 0.000 0.447 205 I N 1.214 121.781 120.570 -0.005 0.000 2.530 205 I HA -0.280 3.890 4.170 -0.000 0.000 0.257 205 I C 1.719 177.837 176.117 0.002 0.000 1.179 205 I CA 1.136 62.430 61.300 -0.011 0.000 1.440 205 I CB 0.109 38.090 38.000 -0.031 0.000 1.087 205 I HN 0.191 nan 8.210 nan 0.000 0.440 206 L N -0.014 121.221 121.223 0.019 0.000 2.023 206 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 206 L C 1.322 178.213 176.870 0.034 0.000 1.073 206 L CA 1.213 56.077 54.840 0.040 0.000 0.745 206 L CB -0.558 41.551 42.059 0.083 0.000 0.900 206 L HN 0.096 nan 8.230 nan 0.000 0.435 207 D N 0.083 120.503 120.400 0.034 0.000 2.400 207 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 207 D C 0.632 176.946 176.300 0.023 0.000 1.184 207 D CA 0.030 54.049 54.000 0.031 0.000 0.853 207 D CB -0.003 40.816 40.800 0.033 0.000 0.944 207 D HN 0.221 nan 8.370 nan 0.000 0.501 208 S N -1.090 114.620 115.700 0.016 0.000 2.693 208 S HA 0.447 4.917 4.470 -0.000 0.000 0.276 208 S C 0.642 175.249 174.600 0.011 0.000 1.192 208 S CA -0.824 57.382 58.200 0.010 0.000 0.994 208 S CB 2.238 65.440 63.200 0.003 0.000 1.012 208 S HN -0.220 nan 8.310 nan 0.000 0.550 209 K N 0.341 120.746 120.400 0.009 0.000 2.760 209 K HA 0.558 4.878 4.320 -0.000 0.000 0.285 209 K C 0.388 176.991 176.600 0.005 0.000 1.016 209 K CA -0.350 55.943 56.287 0.009 0.000 1.087 209 K CB 0.108 32.614 32.500 0.009 0.000 1.427 209 K HN 0.919 nan 8.250 nan 0.000 0.524 210 S N -0.281 115.422 115.700 0.005 0.000 3.349 210 S HA -0.148 4.322 4.470 -0.000 0.000 0.854 210 S C 0.762 175.364 174.600 0.002 0.000 1.140 210 S CA 0.735 58.937 58.200 0.003 0.000 1.044 210 S CB -0.209 62.991 63.200 0.001 0.000 0.716 210 S HN 0.643 nan 8.310 nan 0.000 0.271 211 E N 1.944 122.145 120.200 0.001 0.000 2.158 211 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 211 E C 2.045 178.643 176.600 -0.002 0.000 0.982 211 E CA 1.478 57.878 56.400 -0.000 0.000 0.823 211 E CB -0.127 29.573 29.700 0.000 0.000 0.766 211 E HN 0.568 nan 8.360 nan 0.000 0.468 212 R N 0.602 121.101 120.500 -0.002 0.000 2.119 212 R HA -0.202 4.138 4.340 -0.000 0.000 0.246 212 R C 1.149 177.445 176.300 -0.007 0.000 1.146 212 R CA 2.193 58.291 56.100 -0.004 0.000 0.962 212 R CB -0.145 30.154 30.300 -0.002 0.000 0.863 212 R HN 0.159 nan 8.270 nan 0.000 0.442 213 D N -0.262 120.134 120.400 -0.006 0.000 2.110 213 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 213 D C 2.123 178.417 176.300 -0.010 0.000 0.975 213 D CA 0.745 54.739 54.000 -0.010 0.000 0.839 213 D CB -0.367 40.429 40.800 -0.007 0.000 0.996 213 D HN 0.242 nan 8.370 nan 0.000 0.464 214 Q N 1.079 120.877 119.800 -0.005 0.000 2.045 214 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 214 Q C 2.271 178.267 176.000 -0.007 0.000 0.991 214 Q CA 1.489 57.291 55.803 -0.003 0.000 0.851 214 Q CB -0.753 27.986 28.738 0.001 0.000 0.911 214 Q HN 0.268 nan 8.270 nan 0.000 0.418 215 A N 0.806 123.620 122.820 -0.010 0.000 1.902 215 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 215 A C 2.167 179.736 177.584 -0.024 0.000 1.181 215 A CA 1.481 53.510 52.037 -0.013 0.000 0.623 215 A CB -0.687 18.306 19.000 -0.011 0.000 0.818 215 A HN 0.329 nan 8.150 nan 0.000 0.443 216 L N -0.081 121.123 121.223 -0.031 0.000 1.994 216 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 216 L C 2.307 179.137 176.870 -0.066 0.000 1.071 216 L CA 1.810 56.615 54.840 -0.057 0.000 0.745 216 L CB -0.629 41.398 42.059 -0.054 0.000 0.892 216 L HN 0.406 nan 8.230 nan 0.000 0.431 217 L N -0.607 120.591 121.223 -0.042 0.000 2.043 217 L HA -0.278 4.061 4.340 -0.000 0.000 0.212 217 L C 2.654 179.516 176.870 -0.014 0.000 1.075 217 L CA 1.639 56.463 54.840 -0.028 0.000 0.752 217 L CB -0.700 41.356 42.059 -0.004 0.000 0.891 217 L HN 0.300 nan 8.230 nan 0.000 0.432 218 K N 0.274 120.667 120.400 -0.011 0.000 2.002 218 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 218 K C 2.036 178.629 176.600 -0.012 0.000 1.048 218 K CA 2.018 58.303 56.287 -0.004 0.000 0.930 218 K CB -0.200 32.298 32.500 -0.004 0.000 0.714 218 K HN 0.488 nan 8.250 nan 0.000 0.438 219 E N 1.088 121.269 120.200 -0.031 0.000 2.150 219 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 219 E C 1.850 178.415 176.600 -0.058 0.000 0.985 219 E CA 0.941 57.317 56.400 -0.040 0.000 0.814 219 E CB -0.290 29.381 29.700 -0.049 0.000 0.752 219 E HN 0.222 nan 8.360 nan 0.000 0.466 220 L N 0.438 121.609 121.223 -0.085 0.000 2.395 220 L HA 0.100 4.439 4.340 -0.000 0.000 0.218 220 L C 1.206 178.064 176.870 -0.020 0.000 1.130 220 L CA 0.538 55.315 54.840 -0.105 0.000 0.826 220 L CB -0.413 41.542 42.059 -0.173 0.000 0.941 220 L HN 0.531 nan 8.230 nan 0.000 0.451 221 G N 0.928 109.735 108.800 0.012 0.000 2.298 221 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 221 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 221 G C 0.072 175.048 174.900 0.126 0.000 1.075 221 G CA 0.069 45.206 45.100 0.060 0.000 0.960 221 G HN 0.098 nan 8.290 nan 0.000 0.502 222 V N 1.415 121.403 119.914 0.124 0.000 2.485 222 V HA 0.154 4.274 4.120 -0.000 0.000 0.287 222 V C 1.400 177.677 176.094 0.305 0.000 1.022 222 V CA 0.039 62.477 62.300 0.229 0.000 1.067 222 V CB 0.420 32.322 31.823 0.131 0.000 0.967 222 V HN 0.511 nan 8.190 nan 0.000 0.479 223 R N 5.225 126.002 120.500 0.461 0.000 2.390 223 R HA 0.315 4.655 4.340 -0.000 0.000 0.291 223 R C -2.491 174.042 176.300 0.390 0.000 1.070 223 R CA -1.722 54.586 56.100 0.347 0.000 1.014 223 R CB 0.243 30.715 30.300 0.287 0.000 1.007 223 R HN 0.426 nan 8.270 nan 0.000 0.466 224 P HA -0.080 nan 4.420 nan 0.000 0.266 224 P C 0.621 177.862 177.300 -0.099 0.000 1.193 224 P CA -0.023 63.133 63.100 0.094 0.000 0.770 224 P CB 0.469 32.199 31.700 0.051 0.000 0.836 225 M N 3.690 123.024 119.600 -0.444 0.000 2.267 225 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 225 M C 1.367 177.503 176.300 -0.273 0.000 1.063 225 M CA 1.713 56.488 55.300 -0.874 0.000 1.090 225 M CB -1.248 30.968 32.600 -0.640 0.000 1.392 225 M HN 0.296 nan 8.290 nan 0.000 0.422 226 L N -0.277 120.877 121.223 -0.115 0.000 2.079 226 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 226 L C 1.616 178.476 176.870 -0.016 0.000 1.081 226 L CA 1.462 56.278 54.840 -0.039 0.000 0.752 226 L CB -0.810 41.239 42.059 -0.017 0.000 0.896 226 L HN 0.260 nan 8.230 nan 0.000 0.433 227 D N -0.804 119.602 120.400 0.011 0.000 2.351 227 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 227 D C 1.113 177.249 176.300 -0.275 0.000 0.968 227 D CA 1.088 55.025 54.000 -0.105 0.000 0.899 227 D CB 0.085 40.804 40.800 -0.134 0.000 0.907 227 D HN 0.255 nan 8.370 nan 0.000 0.514 228 F N -0.304 119.547 119.950 -0.165 0.000 2.683 228 F HA 0.264 4.790 4.527 -0.000 0.000 0.306 228 F C 0.658 176.413 175.800 -0.075 0.000 1.102 228 F CA -0.464 57.469 58.000 -0.111 0.000 1.244 228 F CB 0.025 38.967 39.000 -0.096 0.000 1.029 228 F HN -0.253 nan 8.300 nan 0.000 0.545 229 L N 0.370 121.624 121.223 0.051 0.000 2.456 229 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 229 L C 1.262 178.145 176.870 0.021 0.000 1.189 229 L CA -0.219 54.641 54.840 0.033 0.000 0.846 229 L CB 0.109 42.175 42.059 0.013 0.000 1.111 229 L HN 0.219 nan 8.230 nan 0.000 0.475 230 G N 0.822 109.640 108.800 0.030 0.000 2.553 230 G HA2 0.078 4.038 3.960 -0.000 0.000 0.278 230 G HA3 0.078 4.038 3.960 -0.000 0.000 0.278 230 G C 0.633 175.540 174.900 0.012 0.000 1.349 230 G CA -0.223 44.889 45.100 0.021 0.000 1.037 230 G HN 0.732 nan 8.290 nan 0.000 0.508 231 E N -0.462 119.743 120.200 0.009 0.000 2.072 231 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 231 E C 2.263 178.874 176.600 0.019 0.000 0.985 231 E CA 1.895 58.300 56.400 0.008 0.000 0.801 231 E CB -0.153 29.550 29.700 0.005 0.000 0.750 231 E HN 0.656 nan 8.360 nan 0.000 0.452 232 E N -0.056 120.158 120.200 0.024 0.000 2.072 232 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 232 E C 2.068 178.700 176.600 0.053 0.000 0.985 232 E CA 0.903 57.325 56.400 0.036 0.000 0.801 232 E CB -0.216 29.501 29.700 0.028 0.000 0.750 232 E HN 0.367 nan 8.360 nan 0.000 0.452 233 A N 1.691 124.532 122.820 0.036 0.000 1.877 233 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 233 A C 2.152 179.776 177.584 0.066 0.000 1.186 233 A CA 1.715 53.776 52.037 0.039 0.000 0.620 233 A CB -0.443 18.570 19.000 0.022 0.000 0.822 233 A HN 0.058 nan 8.150 nan 0.000 0.443 234 R N -0.179 120.346 120.500 0.042 0.000 2.096 234 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 234 R C 2.158 178.478 176.300 0.033 0.000 1.127 234 R CA 1.639 57.757 56.100 0.030 0.000 0.968 234 R CB -0.506 29.799 30.300 0.009 0.000 0.861 234 R HN 0.421 nan 8.270 nan 0.000 0.440 235 A N 0.125 122.969 122.820 0.041 0.000 1.858 235 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 235 A C 2.167 179.771 177.584 0.035 0.000 1.190 235 A CA 1.689 53.743 52.037 0.027 0.000 0.617 235 A CB -1.067 17.953 19.000 0.032 0.000 0.827 235 A HN 0.571 nan 8.150 nan 0.000 0.443 236 H N -0.541 118.520 119.070 -0.016 0.000 2.319 236 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 236 H C 2.054 177.366 175.328 -0.028 0.000 1.092 236 H CA 2.062 58.102 56.048 -0.014 0.000 1.302 236 H CB -0.226 29.537 29.762 0.002 0.000 1.373 236 H HN 0.353 nan 8.280 nan 0.000 0.497 237 L N 1.493 122.793 121.223 0.128 0.000 2.083 237 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 237 L C 2.408 179.253 176.870 -0.043 0.000 1.083 237 L CA 1.767 56.638 54.840 0.052 0.000 0.752 237 L CB -0.558 41.534 42.059 0.055 0.000 0.899 237 L HN -0.002 nan 8.230 nan 0.000 0.433 238 K N -0.222 120.150 120.400 -0.047 0.000 2.097 238 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 238 K C 2.034 178.538 176.600 -0.160 0.000 1.050 238 K CA 1.203 57.445 56.287 -0.075 0.000 0.938 238 K CB -0.151 32.317 32.500 -0.053 0.000 0.718 238 K HN 0.338 nan 8.250 nan 0.000 0.442 239 E N -0.057 120.014 120.200 -0.215 0.000 2.077 239 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 239 E C 2.010 178.296 176.600 -0.524 0.000 0.989 239 E CA 1.229 57.400 56.400 -0.382 0.000 0.800 239 E CB -0.251 29.243 29.700 -0.343 0.000 0.746 239 E HN 0.113 nan 8.360 nan 0.000 0.452 240 V N 1.678 121.409 119.914 -0.306 0.000 2.343 240 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 240 V C 2.168 178.120 176.094 -0.236 0.000 1.051 240 V CA 1.841 64.017 62.300 -0.207 0.000 1.036 240 V CB -0.505 31.236 31.823 -0.138 0.000 0.654 240 V HN 0.251 nan 8.190 nan 0.000 0.451 241 E N -0.167 119.901 120.200 -0.221 0.000 2.110 241 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 241 E C 2.430 178.975 176.600 -0.093 0.000 0.988 241 E CA 1.005 57.307 56.400 -0.164 0.000 0.804 241 E CB -0.197 29.499 29.700 -0.008 0.000 0.745 241 E HN 0.450 nan 8.360 nan 0.000 0.458 242 R N 0.237 120.629 120.500 -0.179 0.000 2.083 242 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 242 R C 2.309 178.549 176.300 -0.099 0.000 1.137 242 R CA 1.504 57.504 56.100 -0.167 0.000 0.951 242 R CB -0.115 30.014 30.300 -0.285 0.000 0.851 242 R HN 0.292 nan 8.270 nan 0.000 0.434 243 H N 0.462 119.489 119.070 -0.070 0.000 2.353 243 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 243 H C 2.198 177.480 175.328 -0.077 0.000 1.090 243 H CA 1.399 57.402 56.048 -0.074 0.000 1.327 243 H CB -0.423 29.282 29.762 -0.095 0.000 1.383 243 H HN 0.219 nan 8.280 nan 0.000 0.508 244 L N 0.682 121.907 121.223 0.004 0.000 2.046 244 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 244 L C 2.691 179.583 176.870 0.037 0.000 1.077 244 L CA 1.520 56.328 54.840 -0.053 0.000 0.747 244 L CB -0.391 41.525 42.059 -0.239 0.000 0.896 244 L HN 0.317 nan 8.230 nan 0.000 0.432 245 E N 1.060 121.314 120.200 0.090 0.000 2.077 245 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 245 E C 2.263 178.888 176.600 0.041 0.000 0.989 245 E CA 1.550 58.004 56.400 0.089 0.000 0.800 245 E CB -0.031 29.718 29.700 0.081 0.000 0.746 245 E HN 0.222 nan 8.360 nan 0.000 0.452 246 R N 0.885 121.409 120.500 0.039 0.000 2.096 246 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 246 R C 2.321 178.634 176.300 0.022 0.000 1.127 246 R CA 1.292 57.412 56.100 0.033 0.000 0.968 246 R CB -0.689 29.643 30.300 0.053 0.000 0.861 246 R HN 0.314 nan 8.270 nan 0.000 0.440 247 L N 0.286 121.520 121.223 0.018 0.000 2.599 247 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 247 L C 0.158 177.031 176.870 0.005 0.000 1.141 247 L CA 0.412 55.255 54.840 0.005 0.000 0.877 247 L CB -0.052 42.001 42.059 -0.011 0.000 1.009 247 L HN 0.158 nan 8.230 nan 0.000 0.447 248 S N -0.578 115.127 115.700 0.008 0.000 3.641 248 S HA -0.120 4.350 4.470 -0.000 0.000 0.346 248 S C 0.261 174.849 174.600 -0.021 0.000 1.074 248 S CA 0.145 58.348 58.200 0.004 0.000 1.026 248 S CB -1.679 61.529 63.200 0.013 0.000 0.908 248 S HN 0.168 nan 8.310 nan 0.000 0.479 249 V N 3.354 123.232 119.914 -0.059 0.000 2.372 249 V HA 0.260 4.380 4.120 -0.000 0.000 0.261 249 V C -1.336 174.687 176.094 -0.119 0.000 1.055 249 V CA -1.532 60.635 62.300 -0.222 0.000 0.930 249 V CB 0.454 32.089 31.823 -0.314 0.000 1.031 249 V HN 0.209 nan 8.190 nan 0.000 0.479 250 P HA 0.181 nan 4.420 nan 0.000 0.270 250 P C -1.175 176.092 177.300 -0.056 0.000 1.242 250 P CA 0.259 63.299 63.100 -0.099 0.000 0.768 250 P CB 0.201 31.862 31.700 -0.065 0.000 0.820 251 Y N 0.180 120.401 120.300 -0.132 0.000 2.669 251 Y HA 0.826 5.376 4.550 -0.000 0.000 0.335 251 Y C -0.918 174.944 175.900 -0.063 0.000 1.116 251 Y CA -1.781 56.258 58.100 -0.103 0.000 1.081 251 Y CB 1.314 39.705 38.460 -0.114 0.000 1.297 251 Y HN 0.190 nan 8.280 nan 0.000 0.484 252 E N 1.030 121.266 120.200 0.060 0.000 2.234 252 E HA 0.463 4.813 4.350 -0.000 0.000 0.266 252 E C -2.141 174.549 176.600 0.150 0.000 0.877 252 E CA -0.743 55.643 56.400 -0.023 0.000 0.758 252 E CB 1.830 31.517 29.700 -0.021 0.000 1.170 252 E HN 0.738 nan 8.360 nan 0.000 0.415 253 L N 3.901 125.190 121.223 0.110 0.000 2.278 253 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 253 L C -0.457 176.456 176.870 0.071 0.000 1.072 253 L CA 0.076 55.008 54.840 0.154 0.000 0.819 253 L CB 0.648 42.795 42.059 0.146 0.000 1.176 253 L HN 0.469 nan 8.230 nan 0.000 0.435 254 E N 6.992 127.232 120.200 0.068 0.000 2.283 254 E HA 0.245 4.595 4.350 -0.000 0.000 0.278 254 E C -1.675 174.942 176.600 0.029 0.000 1.027 254 E CA -1.893 54.530 56.400 0.037 0.000 0.843 254 E CB 1.197 30.917 29.700 0.033 0.000 1.062 254 E HN 0.442 nan 8.360 nan 0.000 0.401 255 P HA -0.130 nan 4.420 nan 0.000 0.216 255 P C -0.214 177.091 177.300 0.007 0.000 1.150 255 P CA 1.073 64.188 63.100 0.024 0.000 0.843 255 P CB 0.513 32.241 31.700 0.045 0.000 0.787 256 A N -0.628 122.206 122.820 0.023 0.000 2.491 256 A HA 0.553 4.873 4.320 -0.000 0.000 0.293 256 A C -1.369 176.233 177.584 0.030 0.000 1.047 256 A CA -0.491 51.559 52.037 0.021 0.000 0.735 256 A CB 0.570 19.615 19.000 0.075 0.000 1.281 256 A HN 0.069 nan 8.150 nan 0.000 0.398 257 L N 3.711 124.945 121.223 0.017 0.000 2.387 257 L HA 0.335 4.674 4.340 -0.000 0.000 0.259 257 L C -0.790 176.073 176.870 -0.012 0.000 1.050 257 L CA -0.629 54.217 54.840 0.011 0.000 0.922 257 L CB 1.241 43.306 42.059 0.011 0.000 1.280 257 L HN 0.544 nan 8.230 nan 0.000 0.449 258 V N 4.102 124.023 119.914 0.011 0.000 2.364 258 V HA 0.195 4.315 4.120 -0.000 0.000 0.252 258 V C 0.602 176.684 176.094 -0.021 0.000 1.075 258 V CA -0.550 61.758 62.300 0.012 0.000 1.033 258 V CB -0.020 31.829 31.823 0.043 0.000 1.116 258 V HN 0.536 nan 8.190 nan 0.000 0.488 259 R N 3.399 123.847 120.500 -0.088 0.000 2.594 259 R HA 0.200 4.540 4.340 -0.000 0.000 0.272 259 R C 1.555 177.871 176.300 0.026 0.000 1.074 259 R CA -0.034 55.988 56.100 -0.129 0.000 1.105 259 R CB 0.443 30.400 30.300 -0.571 0.000 1.008 259 R HN 0.714 nan 8.270 nan 0.000 0.472 260 G N 1.574 110.400 108.800 0.044 0.000 2.708 260 G HA2 0.018 3.978 3.960 -0.000 0.000 0.210 260 G HA3 0.018 3.978 3.960 -0.000 0.000 0.210 260 G C 0.022 174.931 174.900 0.015 0.000 1.141 260 G CA 0.403 45.523 45.100 0.033 0.000 0.788 260 G HN 0.263 nan 8.290 nan 0.000 0.531 261 L N -0.449 120.820 121.223 0.076 0.000 2.362 261 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 261 L C -0.083 176.714 176.870 -0.121 0.000 1.002 261 L CA -0.588 54.122 54.840 -0.215 0.000 0.818 261 L CB 2.230 43.829 42.059 -0.767 0.000 1.298 261 L HN -0.190 nan 8.230 nan 0.000 0.420 262 D N 0.439 120.721 120.400 -0.196 0.000 2.328 262 D HA -0.055 4.585 4.640 -0.000 0.000 0.226 262 D C 1.186 177.503 176.300 0.028 0.000 1.066 262 D CA 0.629 54.609 54.000 -0.033 0.000 0.861 262 D CB 0.211 41.003 40.800 -0.014 0.000 0.912 262 D HN 0.601 nan 8.370 nan 0.000 0.521 263 Y N -1.153 119.113 120.300 -0.057 0.000 2.511 263 Y HA 0.179 4.729 4.550 -0.000 0.000 0.279 263 Y C 0.149 176.032 175.900 -0.027 0.000 1.157 263 Y CA -1.225 56.828 58.100 -0.078 0.000 1.300 263 Y CB -1.528 36.839 38.460 -0.154 0.000 1.052 263 Y HN -0.227 nan 8.280 nan 0.000 0.529 264 Y N 1.111 121.688 120.300 0.463 0.000 2.497 264 Y HA 0.351 4.901 4.550 -0.000 0.000 0.334 264 Y C 0.193 176.206 175.900 0.187 0.000 1.199 264 Y CA -0.421 57.881 58.100 0.337 0.000 1.425 264 Y CB 0.827 39.426 38.460 0.231 0.000 1.291 264 Y HN -0.087 nan 8.280 nan 0.000 0.562 265 V N 5.103 125.214 119.914 0.328 0.000 2.777 265 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 265 V C -0.229 175.932 176.094 0.111 0.000 1.112 265 V CA -0.794 61.604 62.300 0.163 0.000 0.917 265 V CB 1.299 33.174 31.823 0.088 0.000 1.018 265 V HN 0.991 nan 8.190 nan 0.000 0.426 266 R N 2.535 123.075 120.500 0.067 0.000 4.063 266 R HA -0.167 4.173 4.340 -0.000 0.000 0.274 266 R C 0.162 176.518 176.300 0.093 0.000 0.242 266 R CA 1.231 57.350 56.100 0.033 0.000 0.950 266 R CB -1.847 28.394 30.300 -0.098 0.000 1.029 266 R HN 0.770 nan 8.270 nan 0.000 0.546 267 T N 1.446 116.079 114.554 0.132 0.000 2.933 267 T HA 0.364 4.713 4.350 -0.000 0.000 0.306 267 T C 0.009 174.837 174.700 0.214 0.000 1.045 267 T CA 0.709 62.928 62.100 0.199 0.000 1.143 267 T CB 0.748 69.777 68.868 0.268 0.000 1.003 267 T HN 0.590 nan 8.240 nan 0.000 0.540 268 A N 3.095 126.028 122.820 0.189 0.000 2.459 268 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 268 A C -0.898 176.797 177.584 0.184 0.000 1.039 268 A CA -1.057 51.006 52.037 0.043 0.000 0.698 268 A CB 1.039 19.981 19.000 -0.096 0.000 1.261 268 A HN 0.788 nan 8.150 nan 0.000 0.405 269 F N -0.484 119.467 119.950 0.002 0.000 2.662 269 F HA 0.924 5.450 4.527 -0.000 0.000 0.312 269 F C -0.589 175.251 175.800 0.066 0.000 1.113 269 F CA -0.834 57.186 58.000 0.033 0.000 0.951 269 F CB 1.365 40.382 39.000 0.028 0.000 1.344 269 F HN 0.539 nan 8.300 nan 0.000 0.462 270 E N 0.757 121.118 120.200 0.268 0.000 2.375 270 E HA 0.590 4.940 4.350 -0.000 0.000 0.280 270 E C -1.945 174.843 176.600 0.314 0.000 0.972 270 E CA -1.105 55.420 56.400 0.208 0.000 0.782 270 E CB 3.309 33.144 29.700 0.224 0.000 1.229 270 E HN 0.527 nan 8.360 nan 0.000 0.439 271 V N 2.844 122.893 119.914 0.226 0.000 2.448 271 V HA 0.379 4.498 4.120 -0.000 0.000 0.295 271 V C -0.314 175.878 176.094 0.164 0.000 1.025 271 V CA -0.636 61.807 62.300 0.238 0.000 0.859 271 V CB 1.253 33.175 31.823 0.166 0.000 0.988 271 V HN 0.622 nan 8.190 nan 0.000 0.431 272 H N 3.027 122.157 119.070 0.100 0.000 2.693 272 H HA 0.607 5.163 4.556 -0.000 0.000 0.348 272 H C -1.175 174.235 175.328 0.137 0.000 1.222 272 H CA -0.705 55.404 56.048 0.101 0.000 1.270 272 H CB 2.583 32.388 29.762 0.072 0.000 1.798 272 H HN 0.624 nan 8.280 nan 0.000 0.592 273 H N 0.721 119.884 119.070 0.156 0.000 2.947 273 H HA 0.059 4.615 4.556 -0.000 0.000 0.354 273 H C -0.193 175.187 175.328 0.088 0.000 1.085 273 H CA -0.280 55.822 56.048 0.091 0.000 1.253 273 H CB 1.813 31.602 29.762 0.046 0.000 1.757 273 H HN 0.716 nan 8.280 nan 0.000 0.523 274 E N 2.640 122.754 120.200 -0.144 0.000 2.051 274 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 274 E C 0.011 176.667 176.600 0.094 0.000 0.991 274 E CA 1.120 57.508 56.400 -0.021 0.000 0.799 274 E CB 0.219 29.870 29.700 -0.082 0.000 0.748 274 E HN 0.603 nan 8.360 nan 0.000 0.449 275 E N -0.141 120.167 120.200 0.179 0.000 2.222 275 E HA 0.137 4.487 4.350 -0.000 0.000 0.312 275 E C 0.261 177.009 176.600 0.247 0.000 1.263 275 E CA 0.137 56.680 56.400 0.239 0.000 1.356 275 E CB 0.030 29.888 29.700 0.264 0.000 1.180 275 E HN 0.254 nan 8.360 nan 0.000 0.494 276 I N -0.627 120.046 120.570 0.172 0.000 5.285 276 I HA 0.173 4.343 4.170 -0.000 0.000 0.351 276 I C 1.012 177.179 176.117 0.083 0.000 1.206 276 I CA 0.157 61.525 61.300 0.113 0.000 1.527 276 I CB 0.651 38.717 38.000 0.109 0.000 1.694 276 I HN 0.538 nan 8.210 nan 0.000 0.585 277 G N 1.960 110.810 108.800 0.084 0.000 2.508 277 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.220 277 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.220 277 G C 0.047 174.984 174.900 0.062 0.000 1.287 277 G CA -0.262 44.876 45.100 0.062 0.000 0.916 277 G HN 0.611 nan 8.290 nan 0.000 0.574 278 A N -0.778 122.070 122.820 0.047 0.000 2.466 278 A HA 0.549 4.869 4.320 -0.000 0.000 0.238 278 A C 1.072 178.683 177.584 0.044 0.000 1.074 278 A CA 1.831 53.895 52.037 0.044 0.000 0.774 278 A CB -0.202 18.815 19.000 0.028 0.000 1.015 278 A HN 2.061 nan 8.150 nan 0.000 0.498 279 Q N 0.015 119.842 119.800 0.044 0.000 2.459 279 Q HA -0.151 4.189 4.340 -0.000 0.000 0.322 279 Q C 0.845 176.859 176.000 0.024 0.000 1.427 279 Q CA 1.006 56.822 55.803 0.021 0.000 0.861 279 Q CB -2.420 26.317 28.738 -0.001 0.000 1.137 279 Q HN 1.119 nan 8.270 nan 0.000 0.394 280 S N -2.001 113.740 115.700 0.067 0.000 2.562 280 S HA 0.365 4.835 4.470 -0.000 0.000 0.221 280 S C 0.991 175.556 174.600 -0.058 0.000 0.975 280 S CA -0.017 58.239 58.200 0.093 0.000 0.918 280 S CB 0.480 63.812 63.200 0.219 0.000 0.772 280 S HN 0.684 nan 8.310 nan 0.000 0.531 281 A N 1.808 124.454 122.820 -0.289 0.000 2.444 281 A HA 0.527 4.847 4.320 -0.000 0.000 0.273 281 A C 1.059 178.524 177.584 -0.199 0.000 1.136 281 A CA -0.412 51.290 52.037 -0.558 0.000 0.799 281 A CB -0.248 18.447 19.000 -0.508 0.000 1.081 281 A HN 0.512 nan 8.150 nan 0.000 0.509 282 L N 2.620 123.768 121.223 -0.125 0.000 2.131 282 L HA 0.201 4.541 4.340 -0.000 0.000 0.206 282 L C 1.395 178.303 176.870 0.063 0.000 1.087 282 L CA 1.077 55.900 54.840 -0.029 0.000 0.767 282 L CB -0.316 41.711 42.059 -0.053 0.000 0.917 282 L HN 0.832 nan 8.230 nan 0.000 0.441 283 G N -1.803 107.029 108.800 0.053 0.000 2.506 283 G HA2 0.534 4.494 3.960 -0.000 0.000 0.292 283 G HA3 0.534 4.494 3.960 -0.000 0.000 0.292 283 G C -1.400 173.563 174.900 0.106 0.000 1.425 283 G CA 0.024 45.229 45.100 0.175 0.000 0.788 283 G HN 0.154 nan 8.290 nan 0.000 0.490 284 G N -2.190 106.687 108.800 0.128 0.000 2.548 284 G HA2 1.010 4.969 3.960 -0.000 0.000 0.301 284 G HA3 1.010 4.969 3.960 -0.000 0.000 0.301 284 G C -0.256 174.536 174.900 -0.180 0.000 1.349 284 G CA 0.582 45.641 45.100 -0.069 0.000 0.792 284 G HN 2.176 nan 8.290 nan 0.000 0.481 285 G N -2.442 105.936 108.800 -0.703 0.000 2.341 285 G HA2 0.881 4.841 3.960 -0.000 0.000 0.299 285 G HA3 0.881 4.841 3.960 -0.000 0.000 0.299 285 G C -0.274 174.241 174.900 -0.641 0.000 1.274 285 G CA 0.811 45.628 45.100 -0.472 0.000 0.853 285 G HN 2.338 nan 8.290 nan 0.000 0.493 286 G N -1.309 107.559 108.800 0.114 0.000 2.315 286 G HA2 0.582 4.542 3.960 -0.000 0.000 0.294 286 G HA3 0.582 4.542 3.960 -0.000 0.000 0.294 286 G C -1.246 173.990 174.900 0.560 0.000 1.300 286 G CA -0.262 45.051 45.100 0.355 0.000 0.843 286 G HN 0.691 nan 8.290 nan 0.000 0.527 287 R N -0.866 119.879 120.500 0.408 0.000 2.500 287 R HA 0.634 4.974 4.340 -0.000 0.000 0.275 287 R C -0.581 175.838 176.300 0.199 0.000 1.051 287 R CA -0.564 55.622 56.100 0.143 0.000 1.088 287 R CB 0.528 30.860 30.300 0.052 0.000 1.063 287 R HN 0.921 nan 8.270 nan 0.000 0.511 288 Y N -0.437 119.871 120.300 0.013 0.000 2.810 288 Y HA 0.356 4.906 4.550 -0.000 0.000 0.272 288 Y C -1.474 174.341 175.900 -0.141 0.000 0.938 288 Y CA -1.462 56.573 58.100 -0.108 0.000 1.129 288 Y CB -0.381 37.805 38.460 -0.457 0.000 1.192 288 Y HN 0.410 nan 8.280 nan 0.000 0.630 289 D N 1.251 121.565 120.400 -0.143 0.000 2.399 289 D HA 0.441 5.081 4.640 -0.000 0.000 0.241 289 D C 1.373 177.655 176.300 -0.031 0.000 1.133 289 D CA 1.806 55.733 54.000 -0.121 0.000 0.890 289 D CB 1.338 42.069 40.800 -0.115 0.000 1.201 289 D HN 0.802 nan 8.370 nan 0.000 0.432 290 G N 0.511 109.292 108.800 -0.031 0.000 2.258 290 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.233 290 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.233 290 G C 0.979 175.882 174.900 0.004 0.000 1.006 290 G CA 0.328 45.426 45.100 -0.005 0.000 0.620 290 G HN 0.487 nan 8.290 nan 0.000 0.511 291 L N 2.576 123.803 121.223 0.008 0.000 2.046 291 L HA 0.060 4.400 4.340 -0.000 0.000 0.208 291 L C 2.974 179.821 176.870 -0.039 0.000 1.077 291 L CA 3.447 58.275 54.840 -0.020 0.000 0.747 291 L CB -0.861 41.120 42.059 -0.130 0.000 0.896 291 L HN 0.803 nan 8.230 nan 0.000 0.432 292 S N -1.171 114.501 115.700 -0.047 0.000 2.383 292 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 292 S C 1.803 176.382 174.600 -0.035 0.000 1.030 292 S CA 1.408 59.576 58.200 -0.053 0.000 1.002 292 S CB -0.819 62.340 63.200 -0.068 0.000 0.829 292 S HN 0.655 nan 8.310 nan 0.000 0.467 293 E N 1.382 121.567 120.200 -0.026 0.000 2.106 293 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 293 E C 2.022 178.614 176.600 -0.014 0.000 0.984 293 E CA 1.102 57.492 56.400 -0.017 0.000 0.806 293 E CB -0.405 29.288 29.700 -0.011 0.000 0.750 293 E HN 0.503 nan 8.360 nan 0.000 0.458 294 L N 0.474 121.691 121.223 -0.009 0.000 2.191 294 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 294 L C 1.832 178.690 176.870 -0.020 0.000 1.103 294 L CA 0.748 55.585 54.840 -0.005 0.000 0.769 294 L CB -0.177 41.890 42.059 0.014 0.000 0.908 294 L HN 0.180 nan 8.230 nan 0.000 0.438 295 L N -0.371 120.832 121.223 -0.033 0.000 2.629 295 L HA 0.226 4.565 4.340 -0.000 0.000 0.230 295 L C 1.237 178.080 176.870 -0.045 0.000 1.151 295 L CA 0.284 55.094 54.840 -0.050 0.000 0.924 295 L CB -0.335 41.684 42.059 -0.067 0.000 1.137 295 L HN 0.404 nan 8.230 nan 0.000 0.457 296 G N 0.236 109.016 108.800 -0.033 0.000 2.160 296 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 296 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 296 G C 0.354 175.238 174.900 -0.027 0.000 1.022 296 G CA -0.032 45.050 45.100 -0.029 0.000 0.741 296 G HN 0.538 nan 8.290 nan 0.000 0.508 297 G N -0.799 107.986 108.800 -0.024 0.000 2.820 297 G HA2 0.826 4.786 3.960 -0.000 0.000 0.291 297 G HA3 0.826 4.786 3.960 -0.000 0.000 0.291 297 G C -2.213 172.680 174.900 -0.011 0.000 1.323 297 G CA -1.014 44.076 45.100 -0.016 0.000 1.055 297 G HN 0.201 nan 8.290 nan 0.000 0.520 298 P HA 0.259 nan 4.420 nan 0.000 0.277 298 P C -0.321 176.973 177.300 -0.010 0.000 1.276 298 P CA -0.623 62.476 63.100 -0.002 0.000 0.788 298 P CB 0.496 32.202 31.700 0.010 0.000 1.114 299 R N 0.277 120.769 120.500 -0.013 0.000 2.316 299 R HA 0.353 4.693 4.340 -0.000 0.000 0.314 299 R C -1.417 174.857 176.300 -0.043 0.000 1.069 299 R CA -0.050 56.033 56.100 -0.028 0.000 0.959 299 R CB -0.253 30.033 30.300 -0.023 0.000 0.987 299 R HN 0.187 nan 8.270 nan 0.000 0.446 300 V N 7.835 127.698 119.914 -0.085 0.000 2.462 300 V HA 0.301 4.421 4.120 -0.000 0.000 0.288 300 V C -2.251 173.725 176.094 -0.197 0.000 1.020 300 V CA -1.882 60.327 62.300 -0.153 0.000 0.857 300 V CB 1.696 33.361 31.823 -0.263 0.000 1.013 300 V HN 0.841 nan 8.190 nan 0.000 0.431 301 P HA 0.564 nan 4.420 nan 0.000 0.272 301 P C 0.097 177.190 177.300 -0.344 0.000 1.230 301 P CA 0.119 63.084 63.100 -0.224 0.000 0.788 301 P CB 1.003 32.618 31.700 -0.141 0.000 0.949 302 G N -0.534 107.934 108.800 -0.553 0.000 2.667 302 G HA2 0.558 4.518 3.960 -0.000 0.000 0.294 302 G HA3 0.558 4.518 3.960 -0.000 0.000 0.294 302 G C -1.699 172.591 174.900 -1.018 0.000 1.467 302 G CA -0.545 44.102 45.100 -0.755 0.000 0.852 302 G HN 0.386 nan 8.290 nan 0.000 0.521 303 V N -0.908 118.746 119.914 -0.432 0.000 3.078 303 V HA 1.077 5.197 4.120 -0.000 0.000 0.311 303 V C 0.536 176.782 176.094 0.254 0.000 1.138 303 V CA -0.157 62.129 62.300 -0.023 0.000 1.007 303 V CB 1.329 33.255 31.823 0.172 0.000 1.045 303 V HN 2.101 nan 8.190 nan 0.000 0.432 304 G N 0.561 109.663 108.800 0.502 0.000 2.340 304 G HA2 0.762 4.722 3.960 -0.000 0.000 0.299 304 G HA3 0.762 4.722 3.960 -0.000 0.000 0.299 304 G C -1.729 173.553 174.900 0.636 0.000 1.291 304 G CA 0.055 45.441 45.100 0.475 0.000 0.841 304 G HN 1.774 nan 8.290 nan 0.000 0.500 305 F N -2.330 117.893 119.950 0.456 0.000 2.789 305 F HA 0.966 5.493 4.527 -0.000 0.000 0.319 305 F C -0.453 175.512 175.800 0.274 0.000 1.168 305 F CA -1.121 57.077 58.000 0.330 0.000 0.934 305 F CB 1.395 40.679 39.000 0.473 0.000 1.375 305 F HN 1.567 nan 8.300 nan 0.000 0.480 306 A N 1.059 124.178 122.820 0.498 0.000 2.589 306 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 306 A C -2.062 175.783 177.584 0.434 0.000 1.062 306 A CA -0.526 51.678 52.037 0.277 0.000 0.686 306 A CB 1.251 20.326 19.000 0.125 0.000 1.282 306 A HN 1.624 nan 8.150 nan 0.000 0.404 307 F N -0.017 120.104 119.950 0.284 0.000 2.588 307 F HA 0.794 5.321 4.527 -0.000 0.000 0.310 307 F C 0.254 176.131 175.800 0.128 0.000 1.082 307 F CA -0.995 57.119 58.000 0.189 0.000 0.929 307 F CB 1.273 40.383 39.000 0.184 0.000 1.254 307 F HN 0.840 nan 8.300 nan 0.000 0.455 308 G N 2.010 111.019 108.800 0.348 0.000 2.360 308 G HA2 0.407 4.367 3.960 -0.000 0.000 0.279 308 G HA3 0.407 4.367 3.960 -0.000 0.000 0.279 308 G C 0.458 175.504 174.900 0.244 0.000 1.189 308 G CA -0.473 44.761 45.100 0.224 0.000 0.941 308 G HN 0.763 nan 8.290 nan 0.000 0.445 309 V N 2.917 122.905 119.914 0.123 0.000 2.332 309 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 309 V C 2.669 178.668 176.094 -0.158 0.000 1.055 309 V CA 2.259 64.550 62.300 -0.015 0.000 1.038 309 V CB -0.476 31.191 31.823 -0.260 0.000 0.651 309 V HN 0.707 nan 8.190 nan 0.000 0.450 310 E N -0.144 119.973 120.200 -0.138 0.000 2.077 310 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 310 E C 2.460 179.067 176.600 0.012 0.000 0.989 310 E CA 0.925 57.289 56.400 -0.060 0.000 0.800 310 E CB -0.282 29.333 29.700 -0.141 0.000 0.746 310 E HN 0.380 nan 8.360 nan 0.000 0.452 311 R N 0.281 120.792 120.500 0.018 0.000 2.083 311 R HA -0.087 4.253 4.340 -0.000 0.000 0.237 311 R C 2.377 178.658 176.300 -0.031 0.000 1.137 311 R CA 1.127 57.236 56.100 0.015 0.000 0.951 311 R CB -1.055 29.257 30.300 0.019 0.000 0.851 311 R HN 0.169 nan 8.270 nan 0.000 0.434 312 V N 1.433 121.329 119.914 -0.029 0.000 2.392 312 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 312 V C 2.572 178.602 176.094 -0.107 0.000 1.059 312 V CA 1.844 64.078 62.300 -0.108 0.000 1.051 312 V CB -0.876 30.879 31.823 -0.113 0.000 0.658 312 V HN 0.349 nan 8.190 nan 0.000 0.455 313 A N -0.363 122.424 122.820 -0.054 0.000 1.902 313 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 313 A C 2.231 179.810 177.584 -0.008 0.000 1.181 313 A CA 1.668 53.697 52.037 -0.014 0.000 0.623 313 A CB -0.476 18.553 19.000 0.050 0.000 0.818 313 A HN 0.493 nan 8.150 nan 0.000 0.443 314 L N -0.860 120.358 121.223 -0.008 0.000 2.046 314 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 314 L C 3.136 179.959 176.870 -0.079 0.000 1.077 314 L CA 1.095 55.930 54.840 -0.008 0.000 0.747 314 L CB -0.569 41.498 42.059 0.014 0.000 0.896 314 L HN 0.460 nan 8.230 nan 0.000 0.432 315 A N 0.053 122.754 122.820 -0.198 0.000 1.902 315 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 315 A C 2.245 179.684 177.584 -0.242 0.000 1.181 315 A CA 1.458 53.206 52.037 -0.482 0.000 0.623 315 A CB -0.700 17.905 19.000 -0.657 0.000 0.818 315 A HN 0.348 nan 8.150 nan 0.000 0.443 316 L N -0.878 120.275 121.223 -0.116 0.000 2.017 316 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 316 L C 2.716 179.688 176.870 0.170 0.000 1.073 316 L CA 1.952 56.811 54.840 0.032 0.000 0.745 316 L CB -0.457 41.575 42.059 -0.045 0.000 0.894 316 L HN 0.623 nan 8.230 nan 0.000 0.432 317 E N 0.212 120.460 120.200 0.080 0.000 2.058 317 E HA -0.273 4.076 4.350 -0.000 0.000 0.194 317 E C 2.186 178.831 176.600 0.074 0.000 0.997 317 E CA 1.280 57.728 56.400 0.080 0.000 0.801 317 E CB -0.038 29.693 29.700 0.050 0.000 0.746 317 E HN 0.463 nan 8.360 nan 0.000 0.450 318 A N 1.176 124.033 122.820 0.061 0.000 1.940 318 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 318 A C 1.737 179.391 177.584 0.117 0.000 1.176 318 A CA 1.587 53.678 52.037 0.089 0.000 0.631 318 A CB -0.428 18.644 19.000 0.120 0.000 0.814 318 A HN 0.338 nan 8.150 nan 0.000 0.446 319 E N -1.148 119.150 120.200 0.164 0.000 2.416 319 E HA 0.261 4.611 4.350 -0.000 0.000 0.189 319 E C 0.967 177.545 176.600 -0.036 0.000 1.091 319 E CA 0.223 56.720 56.400 0.162 0.000 0.889 319 E CB -0.317 29.598 29.700 0.358 0.000 1.015 319 E HN 0.753 nan 8.360 nan 0.000 0.479 320 G N 1.446 110.233 108.800 -0.022 0.000 2.153 320 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.252 320 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.252 320 G C -0.074 174.707 174.900 -0.198 0.000 0.994 320 G CA -0.199 44.828 45.100 -0.121 0.000 0.698 320 G HN 0.240 nan 8.290 nan 0.000 0.521 321 F N 1.570 121.517 119.950 -0.005 0.000 2.444 321 F HA 0.536 5.063 4.527 -0.000 0.000 0.360 321 F C 1.311 177.107 175.800 -0.006 0.000 1.106 321 F CA 0.607 58.601 58.000 -0.009 0.000 1.170 321 F CB 1.150 40.140 39.000 -0.017 0.000 1.113 321 F HN 0.221 nan 8.300 nan 0.000 0.521 322 G N 2.937 111.813 108.800 0.127 0.000 2.705 322 G HA2 0.681 4.641 3.960 -0.000 0.000 0.299 322 G HA3 0.681 4.641 3.960 -0.000 0.000 0.299 322 G C -1.803 173.148 174.900 0.085 0.000 1.315 322 G CA -0.638 44.511 45.100 0.082 0.000 1.045 322 G HN 0.346 nan 8.290 nan 0.000 0.517 323 L N 1.085 122.341 121.223 0.054 0.000 2.381 323 L HA 0.559 4.899 4.340 -0.000 0.000 0.268 323 L C -2.005 174.884 176.870 0.031 0.000 0.997 323 L CA -2.077 52.790 54.840 0.045 0.000 0.818 323 L CB 2.075 44.156 42.059 0.037 0.000 1.310 323 L HN 0.341 nan 8.230 nan 0.000 0.416 324 P HA 0.170 nan 4.420 nan 0.000 0.280 324 P C -0.553 176.758 177.300 0.018 0.000 1.244 324 P CA -0.534 62.578 63.100 0.021 0.000 0.784 324 P CB 0.683 32.396 31.700 0.021 0.000 0.913 325 E N 1.354 121.562 120.200 0.013 0.000 2.864 325 E HA -0.181 4.169 4.350 -0.000 0.000 0.285 325 E C 0.298 176.907 176.600 0.016 0.000 0.965 325 E CA 0.806 57.214 56.400 0.012 0.000 0.985 325 E CB 0.183 29.887 29.700 0.007 0.000 1.000 325 E HN 0.474 nan 8.360 nan 0.000 0.475 326 E N 2.206 122.417 120.200 0.018 0.000 2.480 326 E HA -0.061 4.289 4.350 -0.000 0.000 0.258 326 E C -0.350 176.261 176.600 0.019 0.000 0.984 326 E CA 0.343 56.757 56.400 0.023 0.000 0.930 326 E CB 0.349 30.067 29.700 0.030 0.000 0.936 326 E HN 0.129 nan 8.360 nan 0.000 0.466 327 K N 2.536 122.949 120.400 0.022 0.000 2.436 327 K HA 0.229 4.549 4.320 -0.000 0.000 0.275 327 K C 0.347 176.960 176.600 0.020 0.000 0.999 327 K CA 0.293 56.593 56.287 0.022 0.000 0.980 327 K CB 0.836 33.353 32.500 0.028 0.000 0.919 327 K HN 0.668 nan 8.250 nan 0.000 0.484 328 G N 2.610 111.421 108.800 0.018 0.000 2.557 328 G HA2 0.379 4.338 3.960 -0.000 0.000 0.302 328 G HA3 0.379 4.338 3.960 -0.000 0.000 0.302 328 G C -2.489 172.433 174.900 0.037 0.000 1.311 328 G CA -1.130 43.978 45.100 0.014 0.000 1.030 328 G HN 0.380 nan 8.290 nan 0.000 0.509 329 P HA 0.179 nan 4.420 nan 0.000 0.275 329 P C -0.302 177.064 177.300 0.110 0.000 1.228 329 P CA -0.276 62.874 63.100 0.083 0.000 0.786 329 P CB 1.570 33.338 31.700 0.113 0.000 0.927 330 D N 0.569 121.041 120.400 0.119 0.000 2.144 330 D HA -0.045 4.595 4.640 -0.000 0.000 0.200 330 D C 0.630 177.062 176.300 0.221 0.000 0.978 330 D CA 1.593 55.690 54.000 0.161 0.000 0.833 330 D CB 0.003 40.877 40.800 0.125 0.000 0.961 330 D HN 0.207 nan 8.370 nan 0.000 0.470 331 L N -0.592 120.735 121.223 0.175 0.000 2.431 331 L HA 0.371 4.711 4.340 -0.000 0.000 0.266 331 L C -1.934 175.053 176.870 0.195 0.000 0.978 331 L CA -1.072 53.878 54.840 0.183 0.000 0.822 331 L CB 2.278 44.399 42.059 0.104 0.000 1.310 331 L HN -0.160 nan 8.230 nan 0.000 0.409 332 Y N 5.318 125.644 120.300 0.042 0.000 2.376 332 Y HA 0.608 5.158 4.550 -0.000 0.000 0.326 332 Y C -1.372 174.518 175.900 -0.017 0.000 0.970 332 Y CA -0.771 57.335 58.100 0.010 0.000 1.248 332 Y CB 1.071 39.521 38.460 -0.017 0.000 1.117 332 Y HN 0.569 nan 8.280 nan 0.000 0.476 333 L N 7.823 128.828 121.223 -0.363 0.000 2.319 333 L HA 0.370 4.709 4.340 -0.000 0.000 0.280 333 L C -0.061 176.541 176.870 -0.446 0.000 1.099 333 L CA -0.325 54.341 54.840 -0.289 0.000 0.828 333 L CB 0.966 42.957 42.059 -0.113 0.000 1.150 333 L HN 0.666 nan 8.230 nan 0.000 0.442 334 I N 5.478 125.877 120.570 -0.286 0.000 2.382 334 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 334 I C -2.525 173.589 176.117 -0.006 0.000 1.002 334 I CA -2.301 58.909 61.300 -0.150 0.000 1.135 334 I CB 2.129 40.096 38.000 -0.055 0.000 1.288 334 I HN 0.328 nan 8.210 nan 0.000 0.448 335 P HA 0.261 nan 4.420 nan 0.000 0.280 335 P C 0.136 177.479 177.300 0.071 0.000 1.244 335 P CA -0.295 62.823 63.100 0.031 0.000 0.784 335 P CB 1.175 32.878 31.700 0.004 0.000 0.913 336 L N 0.928 122.199 121.223 0.079 0.000 2.554 336 L HA 0.175 4.515 4.340 -0.000 0.000 0.225 336 L C 1.081 177.977 176.870 0.044 0.000 1.104 336 L CA 0.521 55.407 54.840 0.077 0.000 0.866 336 L CB -0.139 41.970 42.059 0.082 0.000 1.047 336 L HN 0.452 nan 8.230 nan 0.000 0.468 337 T N -5.411 109.162 114.554 0.032 0.000 2.901 337 T HA 0.269 4.619 4.350 -0.000 0.000 0.293 337 T C 0.478 175.186 174.700 0.012 0.000 1.084 337 T CA -0.609 61.503 62.100 0.020 0.000 1.008 337 T CB 2.606 71.483 68.868 0.016 0.000 1.170 337 T HN -0.120 nan 8.240 nan 0.000 0.509 338 E N 0.475 120.680 120.200 0.009 0.000 2.077 338 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 338 E C 1.849 178.445 176.600 -0.007 0.000 0.989 338 E CA 1.724 58.125 56.400 0.002 0.000 0.800 338 E CB -0.182 29.520 29.700 0.004 0.000 0.746 338 E HN 0.807 nan 8.360 nan 0.000 0.452 339 E N -0.622 119.578 120.200 -0.001 0.000 2.160 339 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 339 E C 1.764 178.355 176.600 -0.015 0.000 0.991 339 E CA 0.952 57.352 56.400 -0.000 0.000 0.810 339 E CB -0.161 29.546 29.700 0.011 0.000 0.742 339 E HN 0.351 nan 8.360 nan 0.000 0.466 340 A N 0.804 123.615 122.820 -0.015 0.000 1.969 340 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 340 A C 2.392 179.931 177.584 -0.075 0.000 1.169 340 A CA 1.344 53.364 52.037 -0.029 0.000 0.635 340 A CB -0.802 18.196 19.000 -0.004 0.000 0.810 340 A HN 0.314 nan 8.150 nan 0.000 0.445 341 V N -1.865 118.007 119.914 -0.070 0.000 2.282 341 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 341 V C 2.495 178.455 176.094 -0.223 0.000 1.057 341 V CA 2.273 64.512 62.300 -0.101 0.000 1.032 341 V CB -1.620 30.173 31.823 -0.050 0.000 0.645 341 V HN 0.503 nan 8.190 nan 0.000 0.447 342 A N -0.198 122.476 122.820 -0.243 0.000 1.930 342 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 342 A C 2.167 179.283 177.584 -0.779 0.000 1.175 342 A CA 1.577 53.334 52.037 -0.465 0.000 0.627 342 A CB -0.592 18.208 19.000 -0.332 0.000 0.815 342 A HN 0.606 nan 8.150 nan 0.000 0.443 343 E N 0.132 120.108 120.200 -0.374 0.000 2.110 343 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 343 E C 2.299 178.767 176.600 -0.220 0.000 0.988 343 E CA 1.185 57.476 56.400 -0.181 0.000 0.804 343 E CB -0.583 29.105 29.700 -0.019 0.000 0.745 343 E HN 0.584 nan 8.360 nan 0.000 0.458 344 A N 1.042 123.707 122.820 -0.258 0.000 1.902 344 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 344 A C 2.064 179.388 177.584 -0.433 0.000 1.181 344 A CA 1.275 53.161 52.037 -0.252 0.000 0.623 344 A CB -0.781 18.101 19.000 -0.196 0.000 0.818 344 A HN 0.291 nan 8.150 nan 0.000 0.443 345 F N 0.079 119.478 119.950 -0.918 0.000 2.095 345 F HA -0.199 4.327 4.527 -0.000 0.000 0.298 345 F C 2.051 177.598 175.800 -0.422 0.000 1.104 345 F CA 1.416 58.771 58.000 -1.074 0.000 1.232 345 F CB -0.793 37.608 39.000 -0.999 0.000 0.987 345 F HN 0.314 nan 8.300 nan 0.000 0.475 346 Y N 0.038 120.008 120.300 -0.550 0.000 2.181 346 Y HA -0.163 4.387 4.550 -0.000 0.000 0.288 346 Y C 2.409 178.105 175.900 -0.340 0.000 1.146 346 Y CA 1.250 59.036 58.100 -0.524 0.000 1.164 346 Y CB -1.581 36.707 38.460 -0.287 0.000 0.982 346 Y HN 0.206 nan 8.280 nan 0.000 0.515 347 L N 0.322 121.495 121.223 -0.083 0.000 2.017 347 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 347 L C 2.404 179.235 176.870 -0.065 0.000 1.073 347 L CA 1.974 56.778 54.840 -0.061 0.000 0.745 347 L CB -1.214 40.815 42.059 -0.050 0.000 0.894 347 L HN 0.130 nan 8.230 nan 0.000 0.432 348 A N -0.890 121.889 122.820 -0.069 0.000 1.892 348 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 348 A C 2.213 179.797 177.584 0.000 0.000 1.188 348 A CA 1.869 53.925 52.037 0.032 0.000 0.631 348 A CB -0.709 18.418 19.000 0.211 0.000 0.822 348 A HN 0.528 nan 8.150 nan 0.000 0.447 349 E N -0.298 119.837 120.200 -0.109 0.000 2.153 349 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 349 E C 2.242 178.801 176.600 -0.069 0.000 0.988 349 E CA 1.157 57.490 56.400 -0.112 0.000 0.811 349 E CB -0.426 29.103 29.700 -0.285 0.000 0.746 349 E HN 0.585 nan 8.360 nan 0.000 0.466 350 A N 0.385 123.162 122.820 -0.072 0.000 2.014 350 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 350 A C 2.254 179.823 177.584 -0.025 0.000 1.163 350 A CA 0.666 52.673 52.037 -0.049 0.000 0.652 350 A CB -0.331 18.639 19.000 -0.051 0.000 0.808 350 A HN 0.186 nan 8.150 nan 0.000 0.449 351 L N -0.961 120.254 121.223 -0.014 0.000 2.209 351 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 351 L C 1.040 177.918 176.870 0.014 0.000 1.094 351 L CA 0.144 54.985 54.840 0.001 0.000 0.790 351 L CB -0.258 41.806 42.059 0.008 0.000 0.932 351 L HN 0.232 nan 8.230 nan 0.000 0.447 352 R N 0.974 121.487 120.500 0.022 0.000 2.560 352 R HA 0.133 4.473 4.340 -0.000 0.000 0.270 352 R C -1.455 174.859 176.300 0.022 0.000 1.074 352 R CA -1.145 54.974 56.100 0.033 0.000 1.140 352 R CB 0.110 30.442 30.300 0.053 0.000 1.073 352 R HN -0.088 nan 8.270 nan 0.000 0.527 353 P HA 0.089 nan 4.420 nan 0.000 0.261 353 P C 0.579 177.896 177.300 0.029 0.000 1.268 353 P CA 0.204 63.324 63.100 0.032 0.000 0.833 353 P CB 0.467 32.186 31.700 0.032 0.000 1.231 354 R N -0.226 120.287 120.500 0.022 0.000 2.127 354 R HA 0.010 4.350 4.340 -0.000 0.000 0.238 354 R C 0.456 176.770 176.300 0.023 0.000 1.134 354 R CA 1.086 57.197 56.100 0.019 0.000 0.975 354 R CB -0.665 29.643 30.300 0.012 0.000 0.865 354 R HN 0.133 nan 8.270 nan 0.000 0.447 355 L N -0.112 121.127 121.223 0.027 0.000 2.362 355 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 355 L C -0.688 176.211 176.870 0.047 0.000 1.002 355 L CA -0.916 53.945 54.840 0.034 0.000 0.818 355 L CB 1.874 43.949 42.059 0.025 0.000 1.298 355 L HN -0.005 nan 8.230 nan 0.000 0.420 356 R N 2.770 123.305 120.500 0.057 0.000 2.205 356 R HA 0.728 5.067 4.340 -0.000 0.000 0.342 356 R C -1.108 175.242 176.300 0.083 0.000 1.058 356 R CA -0.222 55.918 56.100 0.067 0.000 0.904 356 R CB 0.446 30.784 30.300 0.064 0.000 1.089 356 R HN 0.724 nan 8.270 nan 0.000 0.471 357 A N 4.493 127.368 122.820 0.092 0.000 2.318 357 A HA 0.445 4.765 4.320 -0.000 0.000 0.317 357 A C -0.917 176.750 177.584 0.138 0.000 1.159 357 A CA -0.679 51.425 52.037 0.112 0.000 0.799 357 A CB 1.182 20.242 19.000 0.099 0.000 1.194 357 A HN 0.832 nan 8.150 nan 0.000 0.479 358 E N -0.044 120.235 120.200 0.131 0.000 2.378 358 E HA 0.720 5.070 4.350 -0.000 0.000 0.265 358 E C -1.582 174.983 176.600 -0.060 0.000 0.932 358 E CA -0.613 55.812 56.400 0.043 0.000 0.795 358 E CB 2.300 32.075 29.700 0.125 0.000 1.296 358 E HN 0.725 nan 8.360 nan 0.000 0.438 359 Y N -2.174 118.030 120.300 -0.161 0.000 2.656 359 Y HA 0.729 5.279 4.550 -0.000 0.000 0.334 359 Y C -1.232 174.479 175.900 -0.316 0.000 1.179 359 Y CA -1.538 56.294 58.100 -0.447 0.000 1.050 359 Y CB 0.520 38.853 38.460 -0.212 0.000 1.308 359 Y HN 0.501 nan 8.280 nan 0.000 0.456 360 A N 1.857 124.556 122.820 -0.202 0.000 2.327 360 A HA 0.547 4.867 4.320 -0.000 0.000 0.283 360 A C 0.045 177.713 177.584 0.141 0.000 1.127 360 A CA -0.724 51.325 52.037 0.020 0.000 0.810 360 A CB 0.352 19.384 19.000 0.052 0.000 1.066 360 A HN 0.985 nan 8.150 nan 0.000 0.492 361 L N 0.895 122.180 121.223 0.103 0.000 2.611 361 L HA 0.320 4.660 4.340 -0.000 0.000 0.229 361 L C 0.798 177.698 176.870 0.051 0.000 1.137 361 L CA 0.578 55.478 54.840 0.100 0.000 0.901 361 L CB -0.236 41.856 42.059 0.055 0.000 1.098 361 L HN 0.820 nan 8.230 nan 0.000 0.456 362 A N -0.789 122.061 122.820 0.050 0.000 2.594 362 A HA 0.689 5.009 4.320 -0.000 0.000 0.295 362 A C -2.770 174.839 177.584 0.041 0.000 1.071 362 A CA -1.144 50.914 52.037 0.035 0.000 0.685 362 A CB 1.197 20.216 19.000 0.032 0.000 1.285 362 A HN -0.195 nan 8.150 nan 0.000 0.405 363 P HA 0.452 nan 4.420 nan 0.000 0.272 363 P C -0.789 176.544 177.300 0.054 0.000 1.223 363 P CA -0.058 63.068 63.100 0.042 0.000 0.784 363 P CB 0.458 32.177 31.700 0.032 0.000 0.923 364 R N -0.379 120.163 120.500 0.071 0.000 2.690 364 R HA 0.436 4.776 4.340 -0.000 0.000 0.269 364 R C -1.184 175.172 176.300 0.094 0.000 1.037 364 R CA -1.043 55.104 56.100 0.079 0.000 0.877 364 R CB 0.839 31.194 30.300 0.092 0.000 1.255 364 R HN 0.217 nan 8.270 nan 0.000 0.467 365 K N 1.167 121.616 120.400 0.081 0.000 2.355 365 K HA 0.129 4.449 4.320 -0.000 0.000 0.270 365 K C -1.747 174.930 176.600 0.129 0.000 1.003 365 K CA -1.466 54.868 56.287 0.079 0.000 0.957 365 K CB 0.710 33.241 32.500 0.052 0.000 0.939 365 K HN 0.258 nan 8.250 nan 0.000 0.482 366 P HA -0.319 nan 4.420 nan 0.000 0.217 366 P C 0.882 178.340 177.300 0.264 0.000 1.162 366 P CA 1.873 65.112 63.100 0.231 0.000 0.901 366 P CB 0.127 31.787 31.700 -0.067 0.000 0.793 367 A N -0.478 122.425 122.820 0.137 0.000 1.908 367 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 367 A C 2.076 179.729 177.584 0.116 0.000 1.181 367 A CA 2.166 54.273 52.037 0.117 0.000 0.627 367 A CB -1.094 17.946 19.000 0.066 0.000 0.818 367 A HN 0.188 nan 8.150 nan 0.000 0.445 368 K N -0.981 119.483 120.400 0.107 0.000 2.026 368 K HA -0.078 4.242 4.320 -0.000 0.000 0.208 368 K C 2.175 178.843 176.600 0.113 0.000 1.048 368 K CA 1.141 57.482 56.287 0.091 0.000 0.929 368 K CB -0.526 32.021 32.500 0.079 0.000 0.713 368 K HN 0.450 nan 8.250 nan 0.000 0.439 369 G N 1.559 110.457 108.800 0.164 0.000 2.432 369 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 369 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 369 G C 1.463 176.463 174.900 0.167 0.000 1.135 369 G CA 0.409 45.628 45.100 0.199 0.000 0.767 369 G HN 0.091 nan 8.290 nan 0.000 0.550 370 L N 0.589 121.913 121.223 0.168 0.000 2.056 370 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 370 L C 2.679 179.583 176.870 0.056 0.000 1.078 370 L CA 2.242 57.157 54.840 0.124 0.000 0.749 370 L CB -0.393 41.786 42.059 0.200 0.000 0.901 370 L HN 0.442 nan 8.230 nan 0.000 0.433 371 E N -0.393 119.839 120.200 0.053 0.000 2.058 371 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 371 E C 1.884 178.462 176.600 -0.037 0.000 0.997 371 E CA 1.706 58.114 56.400 0.013 0.000 0.801 371 E CB -0.118 29.596 29.700 0.023 0.000 0.746 371 E HN 0.647 nan 8.360 nan 0.000 0.450 372 E N 0.095 120.267 120.200 -0.046 0.000 2.150 372 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 372 E C 2.017 178.393 176.600 -0.374 0.000 0.985 372 E CA 0.802 57.104 56.400 -0.164 0.000 0.814 372 E CB -0.099 29.539 29.700 -0.104 0.000 0.752 372 E HN 0.377 nan 8.360 nan 0.000 0.466 373 A N 0.944 123.588 122.820 -0.293 0.000 1.898 373 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 373 A C 2.088 179.557 177.584 -0.192 0.000 1.181 373 A CA 0.971 52.821 52.037 -0.312 0.000 0.620 373 A CB -0.397 18.596 19.000 -0.012 0.000 0.819 373 A HN 0.116 nan 8.150 nan 0.000 0.442 374 L N 0.003 121.159 121.223 -0.111 0.000 2.046 374 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 374 L C 2.368 179.183 176.870 -0.091 0.000 1.077 374 L CA 2.088 56.883 54.840 -0.076 0.000 0.747 374 L CB -0.533 41.501 42.059 -0.042 0.000 0.896 374 L HN 0.421 nan 8.230 nan 0.000 0.432 375 K N -0.482 119.850 120.400 -0.113 0.000 2.360 375 K HA -0.115 4.205 4.320 -0.000 0.000 0.201 375 K C 1.632 178.155 176.600 -0.128 0.000 1.046 375 K CA 0.962 57.186 56.287 -0.106 0.000 0.945 375 K CB 0.116 32.553 32.500 -0.105 0.000 0.750 375 K HN 0.278 nan 8.250 nan 0.000 0.464 376 R N -1.171 119.219 120.500 -0.183 0.000 2.397 376 R HA 0.074 4.414 4.340 -0.000 0.000 0.241 376 R C 0.552 176.790 176.300 -0.104 0.000 0.914 376 R CA 0.508 56.504 56.100 -0.174 0.000 1.071 376 R CB 0.802 30.917 30.300 -0.308 0.000 1.116 376 R HN 0.322 nan 8.270 nan 0.000 0.524 377 G N 1.448 110.197 108.800 -0.085 0.000 2.198 377 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 377 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 377 G C 0.178 175.061 174.900 -0.029 0.000 1.025 377 G CA 0.275 45.347 45.100 -0.047 0.000 0.769 377 G HN 0.470 nan 8.290 nan 0.000 0.507 378 A N -0.556 122.242 122.820 -0.036 0.000 2.462 378 A HA 0.805 5.124 4.320 -0.000 0.000 0.243 378 A C 1.615 179.212 177.584 0.021 0.000 1.076 378 A CA 0.920 52.970 52.037 0.022 0.000 0.773 378 A CB 0.571 19.605 19.000 0.056 0.000 1.010 378 A HN 1.737 nan 8.150 nan 0.000 0.493 379 A N 2.110 124.971 122.820 0.068 0.000 1.874 379 A HA 0.376 4.696 4.320 -0.000 0.000 0.214 379 A C 0.364 177.872 177.584 -0.126 0.000 1.189 379 A CA 0.895 52.932 52.037 0.000 0.000 0.615 379 A CB -0.191 18.888 19.000 0.133 0.000 0.830 379 A HN 0.693 nan 8.150 nan 0.000 0.443 380 F N -1.657 118.326 119.950 0.054 0.000 2.546 380 F HA 0.658 5.185 4.527 -0.000 0.000 0.320 380 F C 0.301 176.122 175.800 0.034 0.000 1.076 380 F CA -0.614 57.421 58.000 0.058 0.000 0.928 380 F CB 1.967 41.017 39.000 0.084 0.000 1.189 380 F HN 0.169 nan 8.300 nan 0.000 0.465 381 A N 1.182 124.109 122.820 0.178 0.000 2.324 381 A HA 0.819 5.139 4.320 -0.000 0.000 0.330 381 A C -0.297 177.221 177.584 -0.109 0.000 1.165 381 A CA -0.474 51.552 52.037 -0.019 0.000 0.813 381 A CB 0.863 19.767 19.000 -0.161 0.000 1.197 381 A HN 0.930 nan 8.150 nan 0.000 0.484 382 G N 0.669 109.326 108.800 -0.238 0.000 2.626 382 G HA2 0.587 4.547 3.960 -0.000 0.000 0.304 382 G HA3 0.587 4.547 3.960 -0.000 0.000 0.304 382 G C -1.127 173.596 174.900 -0.295 0.000 1.385 382 G CA -0.333 44.658 45.100 -0.181 0.000 0.957 382 G HN 0.391 nan 8.290 nan 0.000 0.504 383 F N 1.372 121.342 119.950 0.034 0.000 2.408 383 F HA 0.537 5.064 4.527 -0.000 0.000 0.344 383 F C 0.446 176.247 175.800 0.001 0.000 1.112 383 F CA -0.796 57.216 58.000 0.020 0.000 1.096 383 F CB 2.134 41.149 39.000 0.026 0.000 1.129 383 F HN 0.061 nan 8.300 nan 0.000 0.486 384 L N 3.683 125.016 121.223 0.183 0.000 2.417 384 L HA 0.518 4.858 4.340 -0.000 0.000 0.259 384 L C 0.219 177.138 176.870 0.082 0.000 1.023 384 L CA -0.300 54.594 54.840 0.091 0.000 0.901 384 L CB 0.841 42.917 42.059 0.029 0.000 1.227 384 L HN 0.817 nan 8.230 nan 0.000 0.454 385 G N 0.131 108.975 108.800 0.074 0.000 2.887 385 G HA2 0.256 4.216 3.960 -0.000 0.000 0.277 385 G HA3 0.256 4.216 3.960 -0.000 0.000 0.277 385 G C 0.460 175.375 174.900 0.026 0.000 1.346 385 G CA -0.153 44.973 45.100 0.045 0.000 1.058 385 G HN 0.451 nan 8.290 nan 0.000 0.535 386 E N -0.149 120.060 120.200 0.015 0.000 2.058 386 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 386 E C 1.854 178.458 176.600 0.008 0.000 0.997 386 E CA 1.948 58.355 56.400 0.010 0.000 0.801 386 E CB -0.179 29.525 29.700 0.006 0.000 0.746 386 E HN 0.446 nan 8.360 nan 0.000 0.450 387 D N 0.692 121.094 120.400 0.004 0.000 2.103 387 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 387 D C 1.777 178.080 176.300 0.005 0.000 0.997 387 D CA 1.831 55.831 54.000 0.001 0.000 0.833 387 D CB -0.378 40.419 40.800 -0.006 0.000 0.961 387 D HN 0.512 nan 8.370 nan 0.000 0.447 388 E N 1.082 121.289 120.200 0.012 0.000 2.150 388 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 388 E C 2.612 179.218 176.600 0.011 0.000 0.985 388 E CA 0.317 56.725 56.400 0.013 0.000 0.814 388 E CB -0.700 29.016 29.700 0.027 0.000 0.752 388 E HN 0.356 nan 8.360 nan 0.000 0.466 389 L N 0.422 121.653 121.223 0.014 0.000 2.046 389 L HA -0.097 4.242 4.340 -0.000 0.000 0.208 389 L C 3.054 179.929 176.870 0.009 0.000 1.077 389 L CA 1.293 56.140 54.840 0.013 0.000 0.747 389 L CB -0.368 41.700 42.059 0.015 0.000 0.896 389 L HN 0.099 nan 8.230 nan 0.000 0.432 390 R N -0.151 120.353 120.500 0.006 0.000 2.090 390 R HA -0.092 4.248 4.340 -0.000 0.000 0.228 390 R C 2.121 178.421 176.300 0.000 0.000 1.110 390 R CA 1.256 57.358 56.100 0.003 0.000 0.973 390 R CB -0.098 30.204 30.300 0.002 0.000 0.869 390 R HN 0.320 nan 8.270 nan 0.000 0.440 391 A N -0.347 122.473 122.820 -0.000 0.000 2.169 391 A HA 0.149 4.469 4.320 -0.000 0.000 0.212 391 A C 1.224 178.805 177.584 -0.005 0.000 1.153 391 A CA 0.849 52.884 52.037 -0.003 0.000 0.756 391 A CB -0.118 18.879 19.000 -0.004 0.000 0.813 391 A HN 0.514 nan 8.150 nan 0.000 0.471 392 G N -0.433 108.365 108.800 -0.003 0.000 2.198 392 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 392 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 392 G C -0.171 174.723 174.900 -0.010 0.000 1.042 392 G CA 0.629 45.725 45.100 -0.006 0.000 0.791 392 G HN 0.653 nan 8.290 nan 0.000 0.502 393 E N -1.857 118.339 120.200 -0.008 0.000 2.370 393 E HA 0.795 5.144 4.350 -0.000 0.000 0.259 393 E C -0.501 176.096 176.600 -0.005 0.000 0.947 393 E CA -1.091 55.301 56.400 -0.013 0.000 0.809 393 E CB 2.487 32.178 29.700 -0.014 0.000 1.300 393 E HN 0.267 nan 8.360 nan 0.000 0.419 394 V N 0.531 120.438 119.914 -0.011 0.000 2.888 394 V HA 0.283 4.403 4.120 -0.000 0.000 0.309 394 V C -0.812 175.295 176.094 0.021 0.000 1.114 394 V CA -0.910 61.395 62.300 0.009 0.000 0.940 394 V CB 2.182 33.996 31.823 -0.015 0.000 1.021 394 V HN 0.662 nan 8.190 nan 0.000 0.426 395 T N 5.772 120.383 114.554 0.096 0.000 2.832 395 T HA 0.574 4.924 4.350 -0.000 0.000 0.313 395 T C -0.178 174.642 174.700 0.199 0.000 1.035 395 T CA -0.106 62.083 62.100 0.148 0.000 0.950 395 T CB 0.007 69.003 68.868 0.213 0.000 0.984 395 T HN 0.340 nan 8.240 nan 0.000 0.486 396 L N 3.162 124.447 121.223 0.104 0.000 2.379 396 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 396 L C 0.420 177.455 176.870 0.275 0.000 1.084 396 L CA -0.712 54.220 54.840 0.153 0.000 0.802 396 L CB 1.087 43.165 42.059 0.033 0.000 1.175 396 L HN 0.387 nan 8.230 nan 0.000 0.448 397 K N 2.857 123.473 120.400 0.360 0.000 2.652 397 K HA 0.253 4.573 4.320 -0.000 0.000 0.249 397 K C -0.940 175.762 176.600 0.170 0.000 0.986 397 K CA -0.738 55.721 56.287 0.287 0.000 0.867 397 K CB 1.524 34.191 32.500 0.278 0.000 1.201 397 K HN 0.523 nan 8.250 nan 0.000 0.450 398 R N 5.666 126.157 120.500 -0.016 0.000 2.351 398 R HA 0.095 4.435 4.340 -0.000 0.000 0.318 398 R C 0.817 176.971 176.300 -0.243 0.000 1.055 398 R CA -0.032 55.727 56.100 -0.569 0.000 0.968 398 R CB 0.394 30.333 30.300 -0.601 0.000 0.974 398 R HN 0.732 nan 8.270 nan 0.000 0.439 399 L N 4.218 125.304 121.223 -0.229 0.000 2.083 399 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 399 L C 2.434 179.252 176.870 -0.087 0.000 1.083 399 L CA 1.476 56.255 54.840 -0.102 0.000 0.752 399 L CB -0.589 41.425 42.059 -0.076 0.000 0.899 399 L HN 0.797 nan 8.230 nan 0.000 0.433 400 A N 0.380 123.127 122.820 -0.121 0.000 1.902 400 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 400 A C 2.427 179.979 177.584 -0.055 0.000 1.181 400 A CA 2.421 54.411 52.037 -0.079 0.000 0.623 400 A CB -0.807 18.142 19.000 -0.085 0.000 0.818 400 A HN 0.526 nan 8.150 nan 0.000 0.443 401 T N -5.396 109.121 114.554 -0.062 0.000 3.040 401 T HA 0.408 4.758 4.350 -0.000 0.000 0.252 401 T C 1.495 176.191 174.700 -0.007 0.000 1.064 401 T CA 1.166 63.250 62.100 -0.028 0.000 1.110 401 T CB 0.174 69.030 68.868 -0.020 0.000 0.921 401 T HN 1.745 nan 8.240 nan 0.000 0.480 402 G N 1.319 110.115 108.800 -0.008 0.000 2.157 402 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 402 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 402 G C -0.186 174.745 174.900 0.052 0.000 0.979 402 G CA 0.182 45.298 45.100 0.027 0.000 0.650 402 G HN 0.838 nan 8.290 nan 0.000 0.529 403 E N 0.284 120.515 120.200 0.052 0.000 2.392 403 E HA 0.435 4.785 4.350 -0.000 0.000 0.264 403 E C 0.190 176.873 176.600 0.138 0.000 1.024 403 E CA 0.003 56.458 56.400 0.092 0.000 0.903 403 E CB 0.346 30.111 29.700 0.107 0.000 0.963 403 E HN 0.445 nan 8.360 nan 0.000 0.432 404 Q N 2.755 122.633 119.800 0.130 0.000 2.356 404 Q HA 0.517 4.857 4.340 -0.000 0.000 0.270 404 Q C -1.857 174.202 176.000 0.098 0.000 1.058 404 Q CA -0.861 55.025 55.803 0.138 0.000 0.802 404 Q CB 2.022 30.829 28.738 0.114 0.000 1.303 404 Q HN 0.378 nan 8.270 nan 0.000 0.444 405 V N 2.891 122.842 119.914 0.062 0.000 2.760 405 V HA 0.550 4.669 4.120 -0.000 0.000 0.309 405 V C -1.085 174.967 176.094 -0.070 0.000 1.077 405 V CA -0.842 61.430 62.300 -0.047 0.000 0.910 405 V CB 2.066 33.752 31.823 -0.227 0.000 1.008 405 V HN 0.754 nan 8.190 nan 0.000 0.424 406 R N 5.114 125.575 120.500 -0.065 0.000 2.310 406 R HA 0.839 5.179 4.340 -0.000 0.000 0.324 406 R C -1.201 175.049 176.300 -0.084 0.000 0.955 406 R CA -0.291 55.779 56.100 -0.051 0.000 0.830 406 R CB 0.902 31.190 30.300 -0.020 0.000 1.154 406 R HN 0.793 nan 8.270 nan 0.000 0.458 407 L N 0.793 121.954 121.223 -0.103 0.000 2.403 407 L HA 0.734 5.074 4.340 -0.000 0.000 0.253 407 L C -0.633 176.195 176.870 -0.069 0.000 1.045 407 L CA -1.247 53.532 54.840 -0.101 0.000 0.845 407 L CB 2.026 43.984 42.059 -0.169 0.000 1.447 407 L HN 0.676 nan 8.230 nan 0.000 0.411 408 S N -0.246 115.424 115.700 -0.051 0.000 2.585 408 S HA 0.316 4.786 4.470 -0.000 0.000 0.273 408 S C 0.898 175.475 174.600 -0.038 0.000 1.339 408 S CA -0.473 57.705 58.200 -0.036 0.000 1.028 408 S CB 1.314 64.499 63.200 -0.025 0.000 0.906 408 S HN 0.820 nan 8.310 nan 0.000 0.528 409 R N 1.159 121.641 120.500 -0.030 0.000 2.133 409 R HA -0.195 4.145 4.340 -0.000 0.000 0.247 409 R C 1.867 178.150 176.300 -0.028 0.000 1.151 409 R CA 2.267 58.350 56.100 -0.029 0.000 0.971 409 R CB -0.476 29.810 30.300 -0.024 0.000 0.866 409 R HN 0.783 nan 8.270 nan 0.000 0.447 410 E N 0.262 120.448 120.200 -0.024 0.000 2.152 410 E HA -0.132 4.217 4.350 -0.000 0.000 0.192 410 E C 1.547 178.139 176.600 -0.012 0.000 0.983 410 E CA 0.946 57.335 56.400 -0.018 0.000 0.818 410 E CB -0.029 29.662 29.700 -0.015 0.000 0.758 410 E HN 0.414 nan 8.360 nan 0.000 0.467 411 E N 0.524 120.714 120.200 -0.016 0.000 2.274 411 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 411 E C 1.922 178.526 176.600 0.006 0.000 0.996 411 E CA 0.570 56.969 56.400 -0.002 0.000 0.840 411 E CB 0.090 29.780 29.700 -0.016 0.000 0.772 411 E HN 0.095 nan 8.360 nan 0.000 0.491 412 V N 1.611 121.509 119.914 -0.026 0.000 2.252 412 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 412 V C -0.704 175.387 176.094 -0.004 0.000 1.056 412 V CA 2.132 64.412 62.300 -0.033 0.000 1.022 412 V CB -1.553 30.238 31.823 -0.054 0.000 0.641 412 V HN 0.202 nan 8.190 nan 0.000 0.445 413 P HA -0.128 nan 4.420 nan 0.000 0.215 413 P C 1.748 179.050 177.300 0.003 0.000 1.157 413 P CA 1.994 65.090 63.100 -0.006 0.000 0.868 413 P CB -0.380 31.316 31.700 -0.006 0.000 0.788 414 G N -1.389 107.422 108.800 0.018 0.000 2.421 414 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.216 414 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.216 414 G C 1.604 176.524 174.900 0.032 0.000 1.171 414 G CA 0.704 45.817 45.100 0.022 0.000 0.775 414 G HN 0.227 nan 8.290 nan 0.000 0.543 415 Y N 1.137 121.392 120.300 -0.074 0.000 2.128 415 Y HA -0.100 4.450 4.550 -0.000 0.000 0.284 415 Y C 2.600 178.412 175.900 -0.148 0.000 1.154 415 Y CA 1.589 59.633 58.100 -0.093 0.000 1.149 415 Y CB -0.230 38.164 38.460 -0.109 0.000 0.976 415 Y HN 0.114 nan 8.280 nan 0.000 0.505 416 L N -0.621 120.572 121.223 -0.051 0.000 2.046 416 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 416 L C 2.498 179.292 176.870 -0.127 0.000 1.077 416 L CA 1.255 55.963 54.840 -0.221 0.000 0.747 416 L CB -0.658 41.288 42.059 -0.188 0.000 0.896 416 L HN 0.302 nan 8.230 nan 0.000 0.432 417 L N -0.268 120.913 121.223 -0.069 0.000 2.046 417 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 417 L C 2.759 179.600 176.870 -0.049 0.000 1.077 417 L CA 1.457 56.274 54.840 -0.038 0.000 0.747 417 L CB -0.411 41.636 42.059 -0.020 0.000 0.896 417 L HN 0.420 nan 8.230 nan 0.000 0.432 418 Q N -0.241 119.510 119.800 -0.082 0.000 2.230 418 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 418 Q C 1.845 177.779 176.000 -0.110 0.000 0.963 418 Q CA 1.490 57.241 55.803 -0.086 0.000 0.866 418 Q CB -0.450 28.235 28.738 -0.089 0.000 0.931 418 Q HN 0.321 nan 8.270 nan 0.000 0.452 419 A N -0.014 122.704 122.820 -0.171 0.000 2.169 419 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 419 A C 1.620 179.227 177.584 0.038 0.000 1.153 419 A CA 0.571 52.541 52.037 -0.111 0.000 0.756 419 A CB -0.007 18.869 19.000 -0.206 0.000 0.813 419 A HN 0.384 nan 8.150 nan 0.000 0.471 420 L N -2.243 119.000 121.223 0.034 0.000 2.993 420 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 420 L C 1.354 178.244 176.870 0.033 0.000 1.154 420 L CA 0.056 54.937 54.840 0.068 0.000 0.972 420 L CB 0.444 42.572 42.059 0.116 0.000 1.373 420 L HN 0.343 nan 8.230 nan 0.000 0.564 421 G N 0.000 108.807 108.800 0.011 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.105 45.100 0.008 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925