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 1nj2_1_A DATA FIRST_RESID 19 DATA SEQUENCE EFSEWFHNIL EEAEIIDQRY PVKGMHVWMP HGFMIRKNTL KILRRILDRD DATA SEQUENCE HEEVLFPLLV PEDELAXXXX XXXXXXXEVY WVTHGGLSKL QRKLALRPTS DATA SEQUENCE ETVMYPMFAL WVRSHTDLPM RFYQVVNTFR YETKHTRPLI RVREITTFKE DATA SEQUENCE AHTIHATASE AEEQVERAVE IYKEFFNSLG IPYLITRRPP WDKFPGSEYT DATA SEQUENCE VAFDTLMPDG KTLQIGTVHN LGQTFARTFE IKFETPEGDH EYVHQTCYGL DATA SEQUENCE SDRVIASVIA IHGDESGLCL PPDVAAHQVV IVPIIFKKAA EEVMEACREL DATA SEQUENCE RSRLEAAGFR VHLDDRDIRA GRKYYEWEMR GVPLRVEIGP RDLEKGAAVI DATA SEQUENCE SRRDTGEKVT ADLQGIEETL RELMKDILEN LRTRAWERME SEIREAETLE DATA SEQUENCE EASRIVDEKR GIISFMWCGE EECGMDVEEK VRVDILGIQE EGSGTCINCG DATA SEQUENCE REAPYRAYLA RTY 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.722 176.600 0.203 0.000 1.382 19 E CA 0.000 56.475 56.400 0.124 0.000 0.976 19 E CB 0.000 29.761 29.700 0.102 0.000 0.812 20 F N 1.664 121.652 119.950 0.063 0.000 2.084 20 F HA -0.084 4.443 4.527 -0.000 0.000 0.296 20 F C 2.502 178.430 175.800 0.213 0.000 1.111 20 F CA 2.476 60.538 58.000 0.103 0.000 1.224 20 F CB -0.502 38.507 39.000 0.014 0.000 0.991 20 F HN 0.499 nan 8.300 nan 0.000 0.471 21 S N -0.182 115.462 115.700 -0.094 0.000 2.407 21 S HA -0.280 4.190 4.470 -0.000 0.000 0.235 21 S C 1.915 176.389 174.600 -0.210 0.000 1.036 21 S CA 2.017 60.077 58.200 -0.235 0.000 1.013 21 S CB -0.552 62.596 63.200 -0.088 0.000 0.820 21 S HN 0.693 nan 8.310 nan 0.000 0.476 22 E N -0.993 119.175 120.200 -0.053 0.000 2.076 22 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 22 E C 1.680 178.329 176.600 0.082 0.000 0.979 22 E CA 0.967 57.356 56.400 -0.019 0.000 0.807 22 E CB -0.346 29.377 29.700 0.038 0.000 0.761 22 E HN 0.785 nan 8.360 nan 0.000 0.454 23 W N 1.380 122.669 121.300 -0.019 0.000 2.317 23 W HA -0.294 4.366 4.660 -0.000 0.000 0.318 23 W C 1.884 178.444 176.519 0.069 0.000 1.227 23 W CA 1.520 58.894 57.345 0.048 0.000 1.269 23 W CB -0.470 29.060 29.460 0.117 0.000 1.155 23 W HN 0.012 nan 8.180 nan 0.000 0.484 24 F N 0.883 120.838 119.950 0.008 0.000 2.015 24 F HA -0.310 4.217 4.527 -0.000 0.000 0.297 24 F C 2.758 178.453 175.800 -0.175 0.000 1.141 24 F CA 2.712 60.602 58.000 -0.184 0.000 1.192 24 F CB -1.427 37.376 39.000 -0.329 0.000 0.957 24 F HN 0.018 nan 8.300 nan 0.000 0.491 25 H N -0.491 118.452 119.070 -0.212 0.000 2.289 25 H HA -0.209 4.347 4.556 -0.000 0.000 0.296 25 H C 2.003 177.149 175.328 -0.304 0.000 1.091 25 H CA 1.145 57.017 56.048 -0.292 0.000 1.274 25 H CB -0.355 29.319 29.762 -0.147 0.000 1.364 25 H HN 0.310 nan 8.280 nan 0.000 0.490 26 N N 0.822 119.459 118.700 -0.106 0.000 2.205 26 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 26 N C 1.958 177.303 175.510 -0.275 0.000 1.015 26 N CA 0.884 53.836 53.050 -0.164 0.000 0.862 26 N CB -0.223 38.193 38.487 -0.117 0.000 0.986 26 N HN 0.303 nan 8.380 nan 0.000 0.429 27 I N 1.162 121.452 120.570 -0.467 0.000 2.500 27 I HA -0.031 4.139 4.170 -0.000 0.000 0.252 27 I C 2.010 177.913 176.117 -0.357 0.000 1.142 27 I CA 0.534 61.543 61.300 -0.485 0.000 1.451 27 I CB -0.163 37.339 38.000 -0.831 0.000 1.093 27 I HN 0.005 nan 8.210 nan 0.000 0.430 28 L N 0.165 121.134 121.223 -0.424 0.000 2.012 28 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 28 L C 2.511 179.224 176.870 -0.261 0.000 1.073 28 L CA 2.024 56.633 54.840 -0.385 0.000 0.748 28 L CB -0.744 40.993 42.059 -0.537 0.000 0.891 28 L HN 0.371 nan 8.230 nan 0.000 0.431 29 E N 0.207 120.262 120.200 -0.242 0.000 2.107 29 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 29 E C 2.066 178.596 176.600 -0.116 0.000 0.982 29 E CA 1.188 57.486 56.400 -0.169 0.000 0.809 29 E CB 0.133 29.741 29.700 -0.153 0.000 0.756 29 E HN 0.486 nan 8.360 nan 0.000 0.459 30 E N -0.153 119.977 120.200 -0.118 0.000 2.107 30 E HA -0.091 4.258 4.350 -0.000 0.000 0.191 30 E C 1.392 177.960 176.600 -0.052 0.000 0.982 30 E CA 0.916 57.272 56.400 -0.072 0.000 0.809 30 E CB -0.049 29.612 29.700 -0.064 0.000 0.756 30 E HN 0.241 nan 8.360 nan 0.000 0.459 31 A N 0.689 123.481 122.820 -0.048 0.000 2.337 31 A HA 0.080 4.400 4.320 -0.000 0.000 0.227 31 A C -0.228 177.424 177.584 0.112 0.000 1.259 31 A CA 0.186 52.245 52.037 0.035 0.000 0.870 31 A CB -0.305 18.756 19.000 0.101 0.000 0.927 31 A HN 0.370 nan 8.150 nan 0.000 0.497 32 E N -0.766 119.446 120.200 0.019 0.000 2.222 32 E HA -0.218 4.131 4.350 -0.000 0.000 0.189 32 E C 0.405 177.047 176.600 0.070 0.000 1.415 32 E CA 0.503 56.919 56.400 0.026 0.000 0.689 32 E CB -1.518 28.207 29.700 0.043 0.000 1.107 32 E HN 0.761 nan 8.360 nan 0.000 0.350 33 I N 0.095 120.651 120.570 -0.022 0.000 2.385 33 I HA 0.066 4.236 4.170 -0.000 0.000 0.244 33 I C 1.400 177.435 176.117 -0.137 0.000 1.089 33 I CA 0.827 62.099 61.300 -0.048 0.000 1.410 33 I CB 0.220 38.144 38.000 -0.127 0.000 1.117 33 I HN 0.299 nan 8.210 nan 0.000 0.429 34 I N -2.973 117.444 120.570 -0.254 0.000 2.802 34 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 34 I C -1.518 174.437 176.117 -0.270 0.000 1.176 34 I CA -0.829 60.272 61.300 -0.331 0.000 1.025 34 I CB 2.712 40.389 38.000 -0.539 0.000 1.243 34 I HN -0.195 nan 8.210 nan 0.000 0.424 35 D N 4.371 124.640 120.400 -0.217 0.000 2.349 35 D HA 0.253 4.893 4.640 -0.000 0.000 0.232 35 D C 0.146 176.292 176.300 -0.256 0.000 1.071 35 D CA -0.182 53.705 54.000 -0.189 0.000 0.832 35 D CB 2.027 42.773 40.800 -0.089 0.000 1.086 35 D HN 0.728 nan 8.370 nan 0.000 0.504 36 Q N 2.203 121.782 119.800 -0.367 0.000 2.435 36 Q HA 0.032 4.372 4.340 -0.000 0.000 0.207 36 Q C 0.783 176.648 176.000 -0.227 0.000 0.956 36 Q CA 0.399 55.879 55.803 -0.538 0.000 0.917 36 Q CB 0.423 28.789 28.738 -0.620 0.000 0.997 36 Q HN 0.277 nan 8.270 nan 0.000 0.497 37 R N 0.625 121.057 120.500 -0.113 0.000 3.457 37 R HA -0.025 4.315 4.340 -0.000 0.000 0.218 37 R C -0.465 175.865 176.300 0.051 0.000 1.833 37 R CA -0.005 56.075 56.100 -0.032 0.000 1.554 37 R CB -0.497 29.780 30.300 -0.038 0.000 1.143 37 R HN 0.139 nan 8.270 nan 0.000 0.557 38 Y N 1.815 122.098 120.300 -0.028 0.000 2.299 38 Y HA 0.144 4.694 4.550 -0.000 0.000 0.326 38 Y C -1.292 174.629 175.900 0.035 0.000 1.164 38 Y CA -2.839 55.274 58.100 0.021 0.000 1.234 38 Y CB 0.891 39.390 38.460 0.065 0.000 1.219 38 Y HN 0.034 nan 8.280 nan 0.000 0.497 39 P HA -0.087 nan 4.420 nan 0.000 0.249 39 P C -0.956 176.250 177.300 -0.156 0.000 1.227 39 P CA 0.931 63.829 63.100 -0.337 0.000 0.753 39 P CB -0.182 31.256 31.700 -0.437 0.000 0.966 40 V N -0.507 119.430 119.914 0.039 0.000 2.851 40 V HA 0.201 4.321 4.120 -0.000 0.000 0.307 40 V C -0.005 176.235 176.094 0.243 0.000 1.129 40 V CA -1.159 61.248 62.300 0.179 0.000 0.932 40 V CB 2.766 34.750 31.823 0.269 0.000 1.024 40 V HN -0.146 nan 8.190 nan 0.000 0.426 41 K N 2.513 123.022 120.400 0.182 0.000 2.349 41 K HA 0.545 4.865 4.320 -0.000 0.000 0.288 41 K C 1.019 177.704 176.600 0.143 0.000 1.058 41 K CA 0.573 56.965 56.287 0.174 0.000 0.953 41 K CB 0.800 33.380 32.500 0.133 0.000 0.997 41 K HN 1.240 nan 8.250 nan 0.000 0.477 42 G N 2.729 111.576 108.800 0.078 0.000 2.179 42 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 42 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 42 G C -0.091 174.657 174.900 -0.254 0.000 0.990 42 G CA -0.545 44.473 45.100 -0.136 0.000 0.646 42 G HN 0.455 nan 8.290 nan 0.000 0.517 43 M N 1.358 120.896 119.600 -0.103 0.000 2.134 43 M HA 0.487 4.967 4.480 -0.000 0.000 0.310 43 M C -0.396 175.902 176.300 -0.002 0.000 0.966 43 M CA -0.318 54.914 55.300 -0.113 0.000 0.922 43 M CB 1.101 33.688 32.600 -0.021 0.000 1.537 43 M HN 0.289 nan 8.290 nan 0.000 0.424 44 H N 0.444 119.398 119.070 -0.192 0.000 2.731 44 H HA 0.692 5.248 4.556 -0.000 0.000 0.368 44 H C -0.730 174.444 175.328 -0.256 0.000 1.168 44 H CA -1.226 54.690 56.048 -0.220 0.000 1.181 44 H CB 2.866 32.478 29.762 -0.251 0.000 1.743 44 H HN 0.392 nan 8.280 nan 0.000 0.547 45 V N 2.153 122.014 119.914 -0.089 0.000 2.370 45 V HA 0.029 4.149 4.120 -0.000 0.000 0.279 45 V C -0.718 175.348 176.094 -0.047 0.000 1.029 45 V CA -0.653 61.616 62.300 -0.051 0.000 0.870 45 V CB 0.367 32.188 31.823 -0.004 0.000 0.984 45 V HN 0.605 nan 8.190 nan 0.000 0.451 46 W N 5.510 126.834 121.300 0.041 0.000 2.368 46 W HA 0.436 5.096 4.660 -0.000 0.000 0.316 46 W C 0.498 177.065 176.519 0.081 0.000 1.375 46 W CA -0.191 57.206 57.345 0.087 0.000 1.261 46 W CB 0.383 29.964 29.460 0.201 0.000 1.298 46 W HN 0.382 nan 8.180 nan 0.000 0.539 47 M N 5.187 124.944 119.600 0.263 0.000 2.371 47 M HA 0.196 4.676 4.480 -0.000 0.000 0.301 47 M C -1.116 175.333 176.300 0.248 0.000 1.173 47 M CA -1.760 53.649 55.300 0.181 0.000 1.020 47 M CB 0.493 33.154 32.600 0.102 0.000 1.490 47 M HN 0.122 nan 8.290 nan 0.000 0.485 48 P HA -0.253 nan 4.420 nan 0.000 0.216 48 P C 1.301 178.767 177.300 0.277 0.000 1.167 48 P CA 1.684 64.892 63.100 0.181 0.000 0.914 48 P CB -0.192 31.580 31.700 0.120 0.000 0.793 49 H N -1.031 118.124 119.070 0.142 0.000 2.293 49 H HA -0.101 4.455 4.556 -0.000 0.000 0.300 49 H C 2.129 177.569 175.328 0.186 0.000 1.082 49 H CA 1.443 57.572 56.048 0.134 0.000 1.308 49 H CB -0.678 29.143 29.762 0.099 0.000 1.375 49 H HN 0.069 nan 8.280 nan 0.000 0.495 50 G N 0.416 109.345 108.800 0.216 0.000 2.491 50 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 50 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 50 G C 1.633 176.769 174.900 0.393 0.000 1.180 50 G CA 0.854 46.140 45.100 0.309 0.000 0.774 50 G HN 0.468 nan 8.290 nan 0.000 0.562 51 F N 0.767 120.878 119.950 0.267 0.000 2.087 51 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 51 F C 2.838 178.583 175.800 -0.092 0.000 1.100 51 F CA 2.187 60.177 58.000 -0.017 0.000 1.226 51 F CB -0.134 38.872 39.000 0.010 0.000 0.983 51 F HN 0.117 nan 8.300 nan 0.000 0.479 52 M N -0.273 119.417 119.600 0.150 0.000 2.080 52 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 52 M C 2.172 178.413 176.300 -0.099 0.000 1.068 52 M CA 1.981 57.302 55.300 0.035 0.000 1.109 52 M CB -0.438 32.205 32.600 0.072 0.000 1.342 52 M HN 0.214 nan 8.290 nan 0.000 0.405 53 I N -0.778 119.725 120.570 -0.113 0.000 2.208 53 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 53 I C 2.578 178.612 176.117 -0.139 0.000 1.097 53 I CA 1.425 62.660 61.300 -0.108 0.000 1.363 53 I CB -0.559 37.389 38.000 -0.087 0.000 1.051 53 I HN 0.340 nan 8.210 nan 0.000 0.413 54 R N 1.585 121.933 120.500 -0.255 0.000 2.096 54 R HA -0.236 4.104 4.340 -0.000 0.000 0.235 54 R C 2.323 178.372 176.300 -0.419 0.000 1.127 54 R CA 1.794 57.641 56.100 -0.422 0.000 0.968 54 R CB -0.188 29.552 30.300 -0.934 0.000 0.861 54 R HN 0.248 nan 8.270 nan 0.000 0.440 55 K N 0.106 120.226 120.400 -0.468 0.000 2.057 55 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 55 K C 1.543 178.033 176.600 -0.182 0.000 1.049 55 K CA 1.755 57.833 56.287 -0.350 0.000 0.931 55 K CB -0.025 32.321 32.500 -0.256 0.000 0.714 55 K HN 0.252 nan 8.250 nan 0.000 0.440 56 N N -0.054 118.566 118.700 -0.132 0.000 2.354 56 N HA -0.073 4.667 4.740 -0.000 0.000 0.179 56 N C 1.526 177.011 175.510 -0.041 0.000 1.021 56 N CA 1.315 54.322 53.050 -0.072 0.000 0.887 56 N CB -0.170 38.284 38.487 -0.055 0.000 0.974 56 N HN 0.236 nan 8.380 nan 0.000 0.437 57 T N 1.864 116.392 114.554 -0.044 0.000 2.777 57 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 57 T C 2.136 176.863 174.700 0.044 0.000 1.040 57 T CA 0.594 62.716 62.100 0.038 0.000 1.141 57 T CB -0.124 68.767 68.868 0.039 0.000 0.868 57 T HN 0.138 nan 8.240 nan 0.000 0.444 58 L N 0.345 121.529 121.223 -0.065 0.000 2.201 58 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 58 L C 2.655 179.469 176.870 -0.094 0.000 1.105 58 L CA 1.110 55.886 54.840 -0.107 0.000 0.775 58 L CB -0.386 41.581 42.059 -0.153 0.000 0.913 58 L HN 0.206 nan 8.230 nan 0.000 0.440 59 K N 0.263 120.624 120.400 -0.065 0.000 2.057 59 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 59 K C 2.051 178.627 176.600 -0.040 0.000 1.049 59 K CA 1.322 57.580 56.287 -0.049 0.000 0.931 59 K CB -0.126 32.351 32.500 -0.038 0.000 0.714 59 K HN 0.283 nan 8.250 nan 0.000 0.440 60 I N 0.750 121.318 120.570 -0.003 0.000 2.163 60 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 60 I C 2.366 178.454 176.117 -0.048 0.000 1.081 60 I CA 0.631 61.952 61.300 0.035 0.000 1.353 60 I CB -0.266 37.826 38.000 0.154 0.000 1.054 60 I HN 0.115 nan 8.210 nan 0.000 0.407 61 L N 1.151 122.273 121.223 -0.167 0.000 1.989 61 L HA -0.220 4.119 4.340 -0.000 0.000 0.211 61 L C 2.625 179.258 176.870 -0.394 0.000 1.071 61 L CA 1.917 56.426 54.840 -0.551 0.000 0.749 61 L CB -0.700 40.887 42.059 -0.787 0.000 0.890 61 L HN 0.082 nan 8.230 nan 0.000 0.431 62 R N -0.595 119.753 120.500 -0.253 0.000 2.120 62 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 62 R C 2.314 178.554 176.300 -0.100 0.000 1.123 62 R CA 1.435 57.440 56.100 -0.159 0.000 0.975 62 R CB -0.395 29.882 30.300 -0.039 0.000 0.866 62 R HN 0.498 nan 8.270 nan 0.000 0.446 63 R N 0.764 121.213 120.500 -0.085 0.000 2.237 63 R HA -0.055 4.285 4.340 -0.000 0.000 0.219 63 R C 1.600 177.866 176.300 -0.058 0.000 1.080 63 R CA 1.232 57.303 56.100 -0.048 0.000 0.995 63 R CB -0.147 30.134 30.300 -0.032 0.000 0.875 63 R HN 0.214 nan 8.270 nan 0.000 0.462 64 I N 0.044 120.547 120.570 -0.111 0.000 2.512 64 I HA -0.109 4.061 4.170 -0.000 0.000 0.247 64 I C 2.093 178.127 176.117 -0.140 0.000 1.094 64 I CA 0.367 61.599 61.300 -0.113 0.000 1.427 64 I CB -0.188 37.725 38.000 -0.145 0.000 1.149 64 I HN 0.102 nan 8.210 nan 0.000 0.438 65 L N 0.854 121.915 121.223 -0.271 0.000 2.013 65 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 65 L C 1.799 178.653 176.870 -0.026 0.000 1.073 65 L CA 1.410 56.021 54.840 -0.382 0.000 0.753 65 L CB -0.688 40.907 42.059 -0.773 0.000 0.890 65 L HN 0.273 nan 8.230 nan 0.000 0.432 66 D N -0.381 120.049 120.400 0.051 0.000 2.411 66 D HA -0.134 4.506 4.640 -0.000 0.000 0.226 66 D C 2.161 178.524 176.300 0.106 0.000 0.988 66 D CA 0.626 54.709 54.000 0.139 0.000 0.938 66 D CB -0.046 40.812 40.800 0.096 0.000 0.883 66 D HN 0.312 nan 8.370 nan 0.000 0.525 67 R N 0.137 120.689 120.500 0.087 0.000 2.066 67 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 67 R C 0.684 177.036 176.300 0.085 0.000 1.131 67 R CA 1.079 57.219 56.100 0.067 0.000 0.955 67 R CB 0.223 30.550 30.300 0.044 0.000 0.851 67 R HN 0.172 nan 8.270 nan 0.000 0.432 68 D N -1.379 119.115 120.400 0.155 0.000 2.556 68 D HA 0.114 4.754 4.640 -0.000 0.000 0.237 68 D C -0.448 175.857 176.300 0.007 0.000 1.296 68 D CA 0.024 54.063 54.000 0.065 0.000 0.807 68 D CB 0.700 41.497 40.800 -0.005 0.000 1.084 68 D HN 0.180 nan 8.370 nan 0.000 0.510 69 H N 0.709 119.823 119.070 0.074 0.000 2.651 69 H HA 0.478 5.034 4.556 -0.000 0.000 0.353 69 H C -0.276 175.151 175.328 0.165 0.000 1.178 69 H CA -0.263 55.870 56.048 0.142 0.000 1.224 69 H CB 1.494 31.416 29.762 0.267 0.000 1.702 69 H HN -0.206 nan 8.280 nan 0.000 0.550 70 E N 0.751 121.134 120.200 0.306 0.000 2.218 70 E HA 0.164 4.514 4.350 -0.000 0.000 0.263 70 E C -0.848 175.742 176.600 -0.018 0.000 0.879 70 E CA -0.620 55.880 56.400 0.168 0.000 0.762 70 E CB 2.346 32.190 29.700 0.240 0.000 1.166 70 E HN 0.497 nan 8.360 nan 0.000 0.415 71 E N 2.800 122.804 120.200 -0.326 0.000 2.354 71 E HA 0.299 4.648 4.350 -0.000 0.000 0.269 71 E C -0.381 176.040 176.600 -0.300 0.000 1.036 71 E CA -0.503 55.507 56.400 -0.650 0.000 0.876 71 E CB 0.885 30.133 29.700 -0.752 0.000 1.009 71 E HN 0.344 nan 8.360 nan 0.000 0.416 72 V N 1.644 121.420 119.914 -0.230 0.000 3.109 72 V HA 0.757 4.877 4.120 -0.000 0.000 0.311 72 V C -1.573 174.500 176.094 -0.035 0.000 1.389 72 V CA -1.055 61.179 62.300 -0.111 0.000 1.034 72 V CB 1.662 33.463 31.823 -0.036 0.000 1.105 72 V HN 0.597 nan 8.190 nan 0.000 0.477 73 L N 0.416 121.643 121.223 0.006 0.000 2.969 73 L HA 0.668 5.008 4.340 -0.000 0.000 0.250 73 L C -1.591 175.295 176.870 0.025 0.000 0.953 73 L CA -0.071 54.803 54.840 0.056 0.000 1.066 73 L CB 0.948 43.001 42.059 -0.011 0.000 1.497 73 L HN 0.669 nan 8.230 nan 0.000 0.512 74 F N 3.816 123.745 119.950 -0.036 0.000 2.348 74 F HA 0.798 5.325 4.527 -0.000 0.000 0.308 74 F C -1.399 174.388 175.800 -0.022 0.000 1.175 74 F CA -1.520 56.454 58.000 -0.043 0.000 1.080 74 F CB -0.108 38.839 39.000 -0.089 0.000 1.341 74 F HN 0.377 nan 8.300 nan 0.000 0.518 75 P HA 0.147 nan 4.420 nan 0.000 0.279 75 P C 0.294 177.655 177.300 0.101 0.000 1.282 75 P CA -0.381 62.776 63.100 0.096 0.000 0.788 75 P CB 0.591 32.329 31.700 0.063 0.000 1.139 76 L N -0.653 120.613 121.223 0.072 0.000 2.298 76 L HA 0.243 4.583 4.340 -0.000 0.000 0.209 76 L C 0.294 177.185 176.870 0.036 0.000 1.084 76 L CA 1.154 56.036 54.840 0.070 0.000 0.816 76 L CB -0.298 41.798 42.059 0.063 0.000 0.967 76 L HN 0.130 nan 8.230 nan 0.000 0.460 77 L N 0.448 121.684 121.223 0.021 0.000 2.312 77 L HA 0.449 4.788 4.340 -0.000 0.000 0.281 77 L C -0.849 176.032 176.870 0.018 0.000 1.070 77 L CA -0.722 54.121 54.840 0.006 0.000 0.805 77 L CB 1.530 43.594 42.059 0.009 0.000 1.174 77 L HN -0.321 nan 8.230 nan 0.000 0.434 78 V N 3.208 123.128 119.914 0.009 0.000 2.531 78 V HA 0.344 4.464 4.120 -0.000 0.000 0.301 78 V C -2.273 173.867 176.094 0.077 0.000 1.034 78 V CA -1.900 60.415 62.300 0.025 0.000 0.865 78 V CB 1.905 33.727 31.823 -0.001 0.000 0.995 78 V HN 0.600 nan 8.190 nan 0.000 0.424 79 P HA 0.024 nan 4.420 nan 0.000 0.266 79 P C 0.915 178.337 177.300 0.204 0.000 1.195 79 P CA 0.238 63.420 63.100 0.136 0.000 0.768 79 P CB 0.726 32.480 31.700 0.090 0.000 0.838 80 E N 2.548 122.899 120.200 0.252 0.000 2.118 80 E HA -0.313 4.037 4.350 -0.000 0.000 0.195 80 E C 1.224 177.918 176.600 0.157 0.000 0.992 80 E CA 1.347 57.906 56.400 0.265 0.000 0.804 80 E CB -0.087 29.631 29.700 0.030 0.000 0.741 80 E HN 0.411 nan 8.360 nan 0.000 0.458 81 D N 0.677 121.141 120.400 0.106 0.000 2.075 81 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 81 D C 1.805 178.169 176.300 0.107 0.000 0.985 81 D CA 1.149 55.199 54.000 0.083 0.000 0.834 81 D CB -0.133 40.704 40.800 0.063 0.000 0.987 81 D HN 0.140 nan 8.370 nan 0.000 0.452 82 E N 0.440 120.709 120.200 0.115 0.000 2.147 82 E HA -0.190 4.159 4.350 -0.000 0.000 0.199 82 E C 2.401 179.105 176.600 0.173 0.000 1.005 82 E CA 0.417 56.901 56.400 0.139 0.000 0.810 82 E CB -0.378 29.377 29.700 0.092 0.000 0.736 82 E HN 0.425 nan 8.360 nan 0.000 0.460 83 L N 0.364 121.679 121.223 0.154 0.000 1.925 83 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 83 L C 1.323 178.274 176.870 0.135 0.000 1.082 83 L CA 0.939 55.872 54.840 0.155 0.000 0.764 83 L CB -0.706 41.458 42.059 0.175 0.000 0.887 83 L HN 0.146 nan 8.230 nan 0.000 0.432 97 V N 1.684 121.567 119.914 -0.051 0.000 2.407 97 V HA 0.320 4.440 4.120 -0.000 0.000 0.291 97 V C -0.260 175.584 176.094 -0.416 0.000 1.018 97 V CA -0.825 61.344 62.300 -0.218 0.000 0.842 97 V CB 0.485 32.089 31.823 -0.365 0.000 0.996 97 V HN 0.323 nan 8.190 nan 0.000 0.426 98 Y N 3.023 123.164 120.300 -0.266 0.000 2.811 98 Y HA 0.031 4.581 4.550 -0.000 0.000 0.334 98 Y C 0.140 175.802 175.900 -0.397 0.000 1.247 98 Y CA 0.871 58.813 58.100 -0.262 0.000 1.526 98 Y CB 0.342 38.682 38.460 -0.200 0.000 1.284 98 Y HN 0.597 nan 8.280 nan 0.000 0.586 99 W N 2.292 123.620 121.300 0.046 0.000 2.632 99 W HA 0.621 5.281 4.660 -0.000 0.000 0.328 99 W C -1.370 175.149 176.519 0.000 0.000 1.044 99 W CA -0.973 56.377 57.345 0.008 0.000 1.225 99 W CB 1.435 30.882 29.460 -0.022 0.000 1.396 99 W HN 0.025 nan 8.180 nan 0.000 0.499 100 V N 3.059 123.139 119.914 0.276 0.000 2.350 100 V HA 0.216 4.336 4.120 -0.000 0.000 0.276 100 V C 0.597 176.764 176.094 0.122 0.000 1.028 100 V CA -0.125 62.261 62.300 0.145 0.000 0.860 100 V CB 0.844 32.715 31.823 0.079 0.000 0.990 100 V HN 0.848 nan 8.190 nan 0.000 0.453 101 T N 1.167 115.751 114.554 0.049 0.000 3.071 101 T HA 0.204 4.554 4.350 -0.000 0.000 0.239 101 T C 0.565 175.098 174.700 -0.278 0.000 0.997 101 T CA 0.194 62.208 62.100 -0.143 0.000 1.134 101 T CB 0.056 68.770 68.868 -0.257 0.000 0.928 101 T HN 0.607 nan 8.240 nan 0.000 0.453 102 H N 0.111 119.197 119.070 0.026 0.000 2.525 102 H HA 0.672 5.228 4.556 -0.000 0.000 0.340 102 H C 0.664 176.002 175.328 0.017 0.000 1.168 102 H CA -0.362 55.696 56.048 0.016 0.000 1.247 102 H CB 1.300 31.069 29.762 0.011 0.000 1.568 102 H HN 0.379 nan 8.280 nan 0.000 0.536 103 G N 0.101 108.984 108.800 0.138 0.000 4.644 103 G HA2 0.495 4.455 3.960 -0.000 0.000 0.307 103 G HA3 0.495 4.455 3.960 -0.000 0.000 0.307 103 G C 0.563 175.505 174.900 0.071 0.000 1.331 103 G CA 0.248 45.395 45.100 0.078 0.000 1.059 103 G HN 1.005 nan 8.290 nan 0.000 0.590 104 G N 0.082 108.931 108.800 0.082 0.000 2.344 104 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 104 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 104 G C 0.612 175.529 174.900 0.028 0.000 1.293 104 G CA -0.081 45.045 45.100 0.042 0.000 1.305 104 G HN 0.422 nan 8.290 nan 0.000 0.484 105 L N 1.849 123.085 121.223 0.022 0.000 2.731 105 L HA 0.352 4.692 4.340 -0.000 0.000 0.240 105 L C 1.309 178.217 176.870 0.062 0.000 1.120 105 L CA 0.860 55.693 54.840 -0.012 0.000 0.913 105 L CB 0.649 42.696 42.059 -0.021 0.000 1.213 105 L HN 0.555 nan 8.230 nan 0.000 0.515 106 S N 0.417 116.177 115.700 0.101 0.000 2.452 106 S HA 0.209 4.679 4.470 -0.000 0.000 0.284 106 S C -0.190 174.516 174.600 0.175 0.000 1.171 106 S CA -0.606 57.661 58.200 0.113 0.000 1.064 106 S CB 1.272 64.508 63.200 0.061 0.000 0.967 106 S HN 0.150 nan 8.310 nan 0.000 0.484 107 K N 4.416 124.925 120.400 0.182 0.000 2.379 107 K HA 0.272 4.592 4.320 -0.000 0.000 0.284 107 K C -0.221 176.350 176.600 -0.050 0.000 1.044 107 K CA -0.496 55.791 56.287 -0.001 0.000 0.974 107 K CB 0.281 32.772 32.500 -0.015 0.000 0.962 107 K HN 0.720 nan 8.250 nan 0.000 0.474 108 L N 3.422 124.586 121.223 -0.099 0.000 2.479 108 L HA 0.083 4.423 4.340 -0.000 0.000 0.248 108 L C 1.034 177.868 176.870 -0.060 0.000 1.205 108 L CA -0.105 54.703 54.840 -0.053 0.000 0.817 108 L CB 0.537 42.573 42.059 -0.038 0.000 1.162 108 L HN 0.715 nan 8.230 nan 0.000 0.486 109 Q N 0.934 120.714 119.800 -0.035 0.000 2.201 109 Q HA 0.255 4.595 4.340 -0.000 0.000 0.236 109 Q C -0.553 175.428 176.000 -0.032 0.000 0.857 109 Q CA -0.008 55.774 55.803 -0.035 0.000 1.025 109 Q CB 0.678 29.404 28.738 -0.020 0.000 1.124 109 Q HN 0.329 nan 8.270 nan 0.000 0.473 110 R N 0.647 121.128 120.500 -0.033 0.000 3.958 110 R HA 0.091 4.431 4.340 -0.000 0.000 0.304 110 R C -1.529 174.772 176.300 0.003 0.000 1.016 110 R CA -0.273 55.816 56.100 -0.017 0.000 1.222 110 R CB 0.651 30.956 30.300 0.010 0.000 1.304 110 R HN -0.012 nan 8.270 nan 0.000 0.462 111 K N 3.624 124.010 120.400 -0.023 0.000 2.380 111 K HA 0.215 4.535 4.320 -0.000 0.000 0.267 111 K C -0.159 176.597 176.600 0.260 0.000 0.990 111 K CA 0.143 56.464 56.287 0.057 0.000 0.946 111 K CB 0.585 33.008 32.500 -0.129 0.000 0.937 111 K HN 0.361 nan 8.250 nan 0.000 0.491 112 L N 1.844 123.245 121.223 0.297 0.000 2.322 112 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 112 L C -0.375 176.620 176.870 0.209 0.000 1.014 112 L CA -0.858 54.120 54.840 0.230 0.000 0.815 112 L CB 1.858 43.980 42.059 0.105 0.000 1.247 112 L HN 0.685 nan 8.230 nan 0.000 0.421 113 A N 4.251 127.062 122.820 -0.014 0.000 2.330 113 A HA 0.709 5.029 4.320 -0.000 0.000 0.327 113 A C -0.526 176.920 177.584 -0.230 0.000 1.155 113 A CA -0.616 51.192 52.037 -0.382 0.000 0.803 113 A CB 0.900 19.361 19.000 -0.898 0.000 1.208 113 A HN 0.679 nan 8.150 nan 0.000 0.477 114 L N 3.054 124.131 121.223 -0.244 0.000 2.418 114 L HA 0.200 4.540 4.340 -0.000 0.000 0.274 114 L C 1.213 178.055 176.870 -0.046 0.000 1.135 114 L CA -0.354 54.373 54.840 -0.188 0.000 0.870 114 L CB 0.351 42.156 42.059 -0.423 0.000 1.154 114 L HN 0.909 nan 8.230 nan 0.000 0.462 115 R N 3.628 124.149 120.500 0.035 0.000 2.614 115 R HA -0.058 4.282 4.340 -0.000 0.000 0.335 115 R C -2.244 174.110 176.300 0.090 0.000 0.859 115 R CA -0.800 55.337 56.100 0.061 0.000 1.123 115 R CB -0.136 30.216 30.300 0.087 0.000 0.887 115 R HN 0.363 nan 8.270 nan 0.000 0.407 116 P HA -0.015 nan 4.420 nan 0.000 0.213 116 P C -0.406 176.921 177.300 0.045 0.000 1.169 116 P CA 0.993 64.115 63.100 0.038 0.000 0.885 116 P CB 0.451 32.163 31.700 0.020 0.000 0.779 117 T N -2.213 112.387 114.554 0.077 0.000 3.097 117 T HA 0.140 4.490 4.350 -0.000 0.000 0.332 117 T C 0.658 175.414 174.700 0.092 0.000 1.269 117 T CA -0.471 61.706 62.100 0.128 0.000 1.076 117 T CB 1.442 70.425 68.868 0.192 0.000 1.209 117 T HN -0.260 nan 8.240 nan 0.000 0.474 118 S N 1.658 117.408 115.700 0.083 0.000 2.440 118 S HA -0.180 4.289 4.470 -0.000 0.000 0.240 118 S C 1.993 176.522 174.600 -0.118 0.000 1.014 118 S CA 1.067 59.231 58.200 -0.060 0.000 0.980 118 S CB -0.239 62.876 63.200 -0.141 0.000 0.775 118 S HN 0.715 nan 8.310 nan 0.000 0.499 119 E N 1.267 121.467 120.200 0.001 0.000 2.164 119 E HA -0.289 4.061 4.350 -0.000 0.000 0.233 119 E C 2.141 178.611 176.600 -0.216 0.000 1.073 119 E CA 2.009 58.348 56.400 -0.101 0.000 0.941 119 E CB -1.454 28.271 29.700 0.041 0.000 0.820 119 E HN 0.554 nan 8.360 nan 0.000 0.486 120 T N -0.165 114.325 114.554 -0.107 0.000 2.869 120 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 120 T C 1.472 175.997 174.700 -0.291 0.000 1.082 120 T CA 1.458 63.472 62.100 -0.144 0.000 1.123 120 T CB 0.051 68.933 68.868 0.024 0.000 0.856 120 T HN 0.051 nan 8.240 nan 0.000 0.499 121 V N -0.273 119.470 119.914 -0.285 0.000 3.382 121 V HA 0.348 4.468 4.120 -0.000 0.000 0.296 121 V C 1.729 177.549 176.094 -0.457 0.000 1.529 121 V CA -0.146 61.980 62.300 -0.291 0.000 1.048 121 V CB 0.157 31.905 31.823 -0.126 0.000 0.878 121 V HN 0.357 nan 8.190 nan 0.000 0.442 122 M N -0.947 118.203 119.600 -0.750 0.000 2.394 122 M HA 0.051 4.531 4.480 -0.000 0.000 0.266 122 M C 2.011 177.329 176.300 -1.637 0.000 1.098 122 M CA 1.750 56.147 55.300 -1.506 0.000 1.149 122 M CB -0.017 31.486 32.600 -1.828 0.000 1.369 122 M HN 0.395 nan 8.290 nan 0.000 0.450 123 Y N 0.773 120.378 120.300 -1.157 0.000 2.109 123 Y HA -0.113 4.436 4.550 -0.000 0.000 0.285 123 Y C -0.354 175.228 175.900 -0.531 0.000 1.131 123 Y CA 1.389 59.005 58.100 -0.807 0.000 1.121 123 Y CB -2.385 35.661 38.460 -0.690 0.000 0.987 123 Y HN 0.173 nan 8.280 nan 0.000 0.495 124 P HA -0.285 nan 4.420 nan 0.000 0.217 124 P C 1.738 178.958 177.300 -0.133 0.000 1.151 124 P CA 2.113 65.109 63.100 -0.174 0.000 0.849 124 P CB -0.144 31.463 31.700 -0.156 0.000 0.787 125 M N -1.297 118.147 119.600 -0.259 0.000 2.175 125 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 125 M C 2.176 178.226 176.300 -0.417 0.000 1.063 125 M CA 1.717 56.847 55.300 -0.284 0.000 1.119 125 M CB -0.742 31.689 32.600 -0.282 0.000 1.377 125 M HN -0.243 nan 8.290 nan 0.000 0.415 126 F N -0.194 119.407 119.950 -0.581 0.000 2.269 126 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 126 F C 2.336 178.023 175.800 -0.188 0.000 1.082 126 F CA 0.185 57.880 58.000 -0.508 0.000 1.360 126 F CB -0.450 38.288 39.000 -0.437 0.000 1.041 126 F HN 0.341 nan 8.300 nan 0.000 0.512 127 A N 0.732 123.608 122.820 0.093 0.000 1.902 127 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 127 A C 2.090 179.757 177.584 0.138 0.000 1.181 127 A CA 1.296 53.413 52.037 0.133 0.000 0.623 127 A CB -0.922 18.161 19.000 0.139 0.000 0.818 127 A HN 0.404 nan 8.150 nan 0.000 0.443 128 L N -2.485 118.818 121.223 0.133 0.000 2.217 128 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 128 L C 2.286 179.378 176.870 0.370 0.000 1.107 128 L CA 0.458 55.430 54.840 0.220 0.000 0.783 128 L CB -0.467 41.733 42.059 0.235 0.000 0.919 128 L HN 0.535 nan 8.230 nan 0.000 0.442 129 W N -0.242 121.119 121.300 0.101 0.000 2.770 129 W HA 0.120 4.780 4.660 -0.000 0.000 0.256 129 W C 0.593 177.134 176.519 0.037 0.000 1.291 129 W CA -0.482 56.903 57.345 0.066 0.000 1.396 129 W CB -0.806 28.708 29.460 0.089 0.000 1.114 129 W HN -0.238 nan 8.180 nan 0.000 0.637 130 V N 2.213 122.274 119.914 0.246 0.000 2.370 130 V HA 0.429 4.549 4.120 -0.000 0.000 0.279 130 V C 0.394 176.561 176.094 0.122 0.000 1.029 130 V CA -0.686 61.700 62.300 0.143 0.000 0.870 130 V CB 1.176 33.059 31.823 0.100 0.000 0.984 130 V HN -0.035 nan 8.190 nan 0.000 0.451 131 R N 2.630 123.187 120.500 0.095 0.000 2.470 131 R HA 0.465 4.804 4.340 -0.000 0.000 0.296 131 R C -0.820 175.502 176.300 0.037 0.000 1.187 131 R CA -0.140 55.997 56.100 0.061 0.000 1.310 131 R CB 1.169 31.498 30.300 0.048 0.000 1.369 131 R HN 0.674 nan 8.270 nan 0.000 0.733 132 S N -0.815 114.942 115.700 0.095 0.000 2.754 132 S HA -0.045 4.424 4.470 -0.000 0.000 0.302 132 S C -0.031 174.650 174.600 0.135 0.000 0.922 132 S CA -0.791 57.449 58.200 0.067 0.000 0.822 132 S CB 0.355 63.528 63.200 -0.045 0.000 1.020 132 S HN 0.737 nan 8.310 nan 0.000 0.475 133 H N 0.501 119.763 119.070 0.320 0.000 2.567 133 H HA 0.029 4.585 4.556 -0.000 0.000 0.276 133 H C 1.396 176.780 175.328 0.092 0.000 1.016 133 H CA 1.807 58.039 56.048 0.307 0.000 1.186 133 H CB -0.408 29.602 29.762 0.413 0.000 1.351 133 H HN 0.457 nan 8.280 nan 0.000 0.605 134 T N -2.366 111.835 114.554 -0.589 0.000 3.043 134 T HA -0.065 4.285 4.350 -0.000 0.000 0.263 134 T C 1.186 175.778 174.700 -0.180 0.000 1.094 134 T CA 0.673 62.517 62.100 -0.428 0.000 1.127 134 T CB 0.079 68.738 68.868 -0.348 0.000 0.905 134 T HN 0.315 nan 8.240 nan 0.000 0.490 135 D N 1.595 121.917 120.400 -0.130 0.000 2.103 135 D HA 0.117 4.757 4.640 -0.000 0.000 0.199 135 D C 0.953 177.184 176.300 -0.115 0.000 0.978 135 D CA 0.417 54.363 54.000 -0.089 0.000 0.829 135 D CB -0.368 40.406 40.800 -0.044 0.000 0.981 135 D HN 0.377 nan 8.370 nan 0.000 0.464 136 L N 2.535 123.673 121.223 -0.142 0.000 2.467 136 L HA 0.195 4.535 4.340 -0.000 0.000 0.270 136 L C -1.741 175.041 176.870 -0.146 0.000 1.205 136 L CA -1.389 53.331 54.840 -0.200 0.000 0.828 136 L CB -0.125 41.766 42.059 -0.281 0.000 1.101 136 L HN -0.022 nan 8.230 nan 0.000 0.479 137 P HA 0.374 nan 4.420 nan 0.000 0.278 137 P C -1.190 175.888 177.300 -0.370 0.000 1.258 137 P CA -0.552 62.363 63.100 -0.308 0.000 0.811 137 P CB 1.550 33.097 31.700 -0.255 0.000 1.063 138 M N 0.980 120.250 119.600 -0.550 0.000 2.393 138 M HA 0.420 4.900 4.480 -0.000 0.000 0.299 138 M C -0.138 175.642 176.300 -0.867 0.000 1.103 138 M CA -0.396 54.484 55.300 -0.701 0.000 0.910 138 M CB 3.149 35.264 32.600 -0.807 0.000 1.659 138 M HN 0.194 nan 8.290 nan 0.000 0.445 139 R N 3.016 123.005 120.500 -0.852 0.000 2.521 139 R HA 0.583 4.923 4.340 -0.000 0.000 0.295 139 R C -1.644 174.457 176.300 -0.332 0.000 1.183 139 R CA -0.186 55.540 56.100 -0.623 0.000 0.957 139 R CB 1.526 31.466 30.300 -0.600 0.000 1.171 139 R HN 0.572 nan 8.270 nan 0.000 0.494 140 F N 2.073 122.043 119.950 0.032 0.000 2.572 140 F HA 0.645 5.172 4.527 -0.000 0.000 0.342 140 F C -0.119 175.834 175.800 0.255 0.000 1.064 140 F CA -1.289 56.788 58.000 0.128 0.000 1.008 140 F CB 1.544 40.629 39.000 0.141 0.000 1.303 140 F HN 0.372 nan 8.300 nan 0.000 0.492 141 Y N -0.157 120.328 120.300 0.308 0.000 2.638 141 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 141 Y C -2.079 173.874 175.900 0.089 0.000 1.182 141 Y CA -1.546 56.627 58.100 0.121 0.000 1.102 141 Y CB 0.738 39.190 38.460 -0.013 0.000 1.343 141 Y HN 0.679 nan 8.280 nan 0.000 0.463 142 Q N 1.457 121.406 119.800 0.248 0.000 2.416 142 Q HA 0.817 5.157 4.340 -0.000 0.000 0.281 142 Q C -2.187 173.892 176.000 0.133 0.000 1.067 142 Q CA -1.429 54.449 55.803 0.124 0.000 0.809 142 Q CB 3.191 31.995 28.738 0.109 0.000 1.418 142 Q HN 0.629 nan 8.270 nan 0.000 0.411 143 V N 2.266 122.235 119.914 0.091 0.000 2.293 143 V HA 0.510 4.629 4.120 -0.000 0.000 0.275 143 V C 0.073 176.197 176.094 0.049 0.000 1.021 143 V CA -0.378 61.946 62.300 0.039 0.000 0.815 143 V CB 0.652 32.489 31.823 0.024 0.000 1.025 143 V HN 0.676 nan 8.190 nan 0.000 0.448 144 V N 2.566 122.530 119.914 0.084 0.000 3.139 144 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 144 V C -0.778 175.394 176.094 0.130 0.000 1.260 144 V CA -0.997 61.370 62.300 0.113 0.000 1.064 144 V CB 2.603 34.513 31.823 0.145 0.000 1.160 144 V HN 0.735 nan 8.190 nan 0.000 0.470 145 N N -0.100 118.657 118.700 0.096 0.000 2.370 145 N HA 0.623 5.363 4.740 -0.000 0.000 0.303 145 N C -0.647 174.826 175.510 -0.061 0.000 1.103 145 N CA -0.280 52.763 53.050 -0.011 0.000 0.848 145 N CB 1.868 40.319 38.487 -0.060 0.000 1.235 145 N HN 0.852 nan 8.380 nan 0.000 0.496 146 T N 0.493 114.874 114.554 -0.289 0.000 2.916 146 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 146 T C -1.023 173.308 174.700 -0.615 0.000 1.064 146 T CA -0.369 61.577 62.100 -0.257 0.000 1.011 146 T CB 0.724 69.431 68.868 -0.268 0.000 1.152 146 T HN 0.390 nan 8.240 nan 0.000 0.510 147 F N 0.666 120.592 119.950 -0.039 0.000 2.576 147 F HA 0.704 5.231 4.527 -0.000 0.000 0.313 147 F C 0.315 176.171 175.800 0.093 0.000 1.078 147 F CA -1.048 56.961 58.000 0.015 0.000 0.921 147 F CB 1.998 40.991 39.000 -0.011 0.000 1.232 147 F HN 0.149 nan 8.300 nan 0.000 0.459 148 R N 1.525 122.234 120.500 0.348 0.000 2.510 148 R HA 0.208 4.548 4.340 -0.000 0.000 0.287 148 R C -1.991 174.542 176.300 0.388 0.000 1.084 148 R CA -0.942 55.321 56.100 0.271 0.000 0.934 148 R CB 2.178 32.541 30.300 0.104 0.000 1.201 148 R HN 0.632 nan 8.270 nan 0.000 0.431 149 Y N 3.338 123.684 120.300 0.075 0.000 2.452 149 Y HA 0.269 4.819 4.550 -0.000 0.000 0.348 149 Y C -0.415 175.463 175.900 -0.038 0.000 0.985 149 Y CA 0.200 58.212 58.100 -0.146 0.000 1.214 149 Y CB 0.583 38.610 38.460 -0.721 0.000 1.136 149 Y HN 0.567 nan 8.280 nan 0.000 0.523 150 E N 2.587 122.570 120.200 -0.361 0.000 2.450 150 E HA 0.631 4.981 4.350 -0.000 0.000 0.272 150 E C -1.059 175.331 176.600 -0.350 0.000 0.967 150 E CA -1.170 55.014 56.400 -0.361 0.000 0.818 150 E CB 2.340 31.986 29.700 -0.090 0.000 1.401 150 E HN 0.488 nan 8.360 nan 0.000 0.450 151 T N 0.116 114.552 114.554 -0.197 0.000 2.843 151 T HA 0.273 4.623 4.350 -0.000 0.000 0.302 151 T C -0.811 173.860 174.700 -0.050 0.000 1.232 151 T CA -0.981 61.048 62.100 -0.117 0.000 1.009 151 T CB 1.370 70.153 68.868 -0.142 0.000 1.254 151 T HN 0.583 nan 8.240 nan 0.000 0.504 152 K N 0.180 120.541 120.400 -0.065 0.000 3.193 152 K HA -0.194 4.126 4.320 -0.000 0.000 0.294 152 K C -0.541 175.879 176.600 -0.300 0.000 1.185 152 K CA 1.009 57.203 56.287 -0.155 0.000 0.866 152 K CB -1.153 31.230 32.500 -0.194 0.000 1.227 152 K HN 0.583 nan 8.250 nan 0.000 0.467 153 H N -0.354 118.728 119.070 0.020 0.000 2.895 153 H HA 0.142 4.698 4.556 -0.000 0.000 0.282 153 H C -1.045 174.311 175.328 0.046 0.000 1.338 153 H CA -0.423 55.649 56.048 0.041 0.000 1.595 153 H CB 1.290 31.073 29.762 0.035 0.000 1.771 153 H HN -0.039 nan 8.280 nan 0.000 0.573 154 T N 3.784 118.442 114.554 0.174 0.000 3.060 154 T HA 0.384 4.734 4.350 -0.000 0.000 0.367 154 T C 0.593 175.391 174.700 0.164 0.000 1.229 154 T CA -0.538 61.644 62.100 0.136 0.000 1.104 154 T CB 0.583 69.522 68.868 0.119 0.000 1.083 154 T HN 0.287 nan 8.240 nan 0.000 0.524 155 R N 3.117 123.706 120.500 0.149 0.000 2.360 155 R HA 0.367 4.707 4.340 -0.000 0.000 0.318 155 R C -2.852 173.527 176.300 0.131 0.000 0.950 155 R CA -2.251 53.956 56.100 0.177 0.000 0.837 155 R CB 1.252 31.655 30.300 0.171 0.000 1.165 155 R HN 0.241 nan 8.270 nan 0.000 0.458 156 P HA -0.118 nan 4.420 nan 0.000 0.259 156 P C 0.292 177.652 177.300 0.098 0.000 1.163 156 P CA 0.725 63.887 63.100 0.104 0.000 0.760 156 P CB 0.384 32.053 31.700 -0.052 0.000 0.762 157 L N 1.340 122.572 121.223 0.016 0.000 5.144 157 L HA -0.306 4.034 4.340 -0.000 0.000 0.440 157 L C 1.177 178.073 176.870 0.043 0.000 1.049 157 L CA 0.950 55.809 54.840 0.032 0.000 1.070 157 L CB -1.375 40.728 42.059 0.074 0.000 1.866 157 L HN 0.512 nan 8.230 nan 0.000 0.743 158 I N -1.353 119.229 120.570 0.020 0.000 3.616 158 I HA 0.079 4.249 4.170 -0.000 0.000 0.296 158 I C 1.138 177.233 176.117 -0.037 0.000 1.226 158 I CA 0.288 61.559 61.300 -0.047 0.000 1.394 158 I CB 0.542 38.436 38.000 -0.177 0.000 1.171 158 I HN 0.168 nan 8.210 nan 0.000 0.442 159 R N 1.704 122.193 120.500 -0.018 0.000 2.659 159 R HA 0.482 4.822 4.340 -0.000 0.000 0.290 159 R C -1.467 174.818 176.300 -0.025 0.000 1.253 159 R CA -0.261 55.831 56.100 -0.015 0.000 1.010 159 R CB 1.375 31.678 30.300 0.006 0.000 1.236 159 R HN -0.018 nan 8.270 nan 0.000 0.413 160 V N 0.909 120.789 119.914 -0.058 0.000 3.084 160 V HA 0.620 4.740 4.120 -0.000 0.000 0.311 160 V C 0.390 176.455 176.094 -0.047 0.000 1.311 160 V CA -1.042 61.199 62.300 -0.098 0.000 1.062 160 V CB 1.938 33.639 31.823 -0.203 0.000 1.113 160 V HN 0.572 nan 8.190 nan 0.000 0.468 161 R N 0.071 120.548 120.500 -0.038 0.000 2.146 161 R HA 0.337 4.677 4.340 -0.000 0.000 0.206 161 R C 0.539 176.812 176.300 -0.045 0.000 1.049 161 R CA 0.697 56.843 56.100 0.077 0.000 1.029 161 R CB 0.099 30.509 30.300 0.183 0.000 0.949 161 R HN 0.916 nan 8.270 nan 0.000 0.471 162 E N 1.517 121.606 120.200 -0.185 0.000 2.145 162 E HA 0.268 4.617 4.350 -0.000 0.000 0.262 162 E C -0.868 175.537 176.600 -0.325 0.000 0.883 162 E CA -0.299 55.830 56.400 -0.452 0.000 0.748 162 E CB 0.875 30.363 29.700 -0.352 0.000 1.140 162 E HN 0.031 nan 8.360 nan 0.000 0.417 163 I N 5.609 125.965 120.570 -0.355 0.000 2.269 163 I HA 0.032 4.202 4.170 -0.000 0.000 0.293 163 I C 1.780 177.830 176.117 -0.111 0.000 1.106 163 I CA -0.194 61.000 61.300 -0.176 0.000 1.248 163 I CB 0.759 38.644 38.000 -0.192 0.000 1.444 163 I HN 0.677 nan 8.210 nan 0.000 0.497 164 T N 0.584 115.142 114.554 0.006 0.000 2.788 164 T HA -0.109 4.240 4.350 -0.000 0.000 0.268 164 T C 0.957 175.688 174.700 0.051 0.000 1.044 164 T CA 1.133 63.270 62.100 0.062 0.000 1.139 164 T CB -0.242 68.775 68.868 0.248 0.000 0.867 164 T HN 0.459 nan 8.240 nan 0.000 0.454 165 T N 2.153 116.759 114.554 0.086 0.000 2.963 165 T HA 0.536 4.886 4.350 -0.000 0.000 0.343 165 T C -1.721 173.070 174.700 0.151 0.000 1.146 165 T CA -0.582 61.548 62.100 0.050 0.000 1.016 165 T CB 0.206 69.054 68.868 -0.034 0.000 1.046 165 T HN 0.332 nan 8.240 nan 0.000 0.496 166 F N 4.180 124.109 119.950 -0.035 0.000 2.577 166 F HA 0.472 4.999 4.527 -0.000 0.000 0.344 166 F C -0.293 175.496 175.800 -0.018 0.000 1.145 166 F CA -1.183 56.802 58.000 -0.026 0.000 0.996 166 F CB 0.913 39.898 39.000 -0.025 0.000 1.248 166 F HN 0.154 nan 8.300 nan 0.000 0.447 167 K N 6.433 126.511 120.400 -0.536 0.000 2.258 167 K HA 0.265 4.585 4.320 -0.000 0.000 0.284 167 K C -0.874 175.293 176.600 -0.721 0.000 1.051 167 K CA -0.075 55.921 56.287 -0.486 0.000 0.923 167 K CB 0.871 33.158 32.500 -0.356 0.000 1.046 167 K HN 0.910 nan 8.250 nan 0.000 0.474 168 E N 2.809 122.712 120.200 -0.494 0.000 2.246 168 E HA 0.569 4.919 4.350 -0.000 0.000 0.266 168 E C -1.664 174.784 176.600 -0.253 0.000 0.880 168 E CA -1.137 54.991 56.400 -0.452 0.000 0.762 168 E CB 1.732 31.215 29.700 -0.361 0.000 1.180 168 E HN 0.462 nan 8.360 nan 0.000 0.416 169 A N 4.102 126.627 122.820 -0.492 0.000 2.342 169 A HA 0.542 4.862 4.320 -0.000 0.000 0.323 169 A C -1.046 176.104 177.584 -0.724 0.000 1.125 169 A CA -0.672 51.075 52.037 -0.483 0.000 0.785 169 A CB 0.851 19.415 19.000 -0.727 0.000 1.221 169 A HN 0.737 nan 8.150 nan 0.000 0.463 170 H N 0.803 119.744 119.070 -0.214 0.000 2.622 170 H HA 0.657 5.213 4.556 -0.000 0.000 0.363 170 H C -0.583 174.620 175.328 -0.208 0.000 1.151 170 H CA -0.110 55.844 56.048 -0.157 0.000 1.184 170 H CB 2.298 32.075 29.762 0.025 0.000 1.643 170 H HN 0.789 nan 8.280 nan 0.000 0.531 171 T N 0.381 114.881 114.554 -0.091 0.000 2.912 171 T HA 0.620 4.970 4.350 -0.000 0.000 0.299 171 T C -0.347 174.185 174.700 -0.280 0.000 1.052 171 T CA -0.815 61.138 62.100 -0.245 0.000 0.996 171 T CB 1.189 70.015 68.868 -0.070 0.000 1.070 171 T HN 0.376 nan 8.240 nan 0.000 0.465 172 I N 3.217 123.454 120.570 -0.555 0.000 2.433 172 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 172 I C -0.027 175.703 176.117 -0.646 0.000 1.001 172 I CA -0.982 60.057 61.300 -0.434 0.000 1.119 172 I CB 1.553 39.302 38.000 -0.418 0.000 1.289 172 I HN 0.632 nan 8.210 nan 0.000 0.438 173 H N 3.027 122.040 119.070 -0.096 0.000 2.894 173 H HA 0.477 5.033 4.556 -0.000 0.000 0.368 173 H C 0.295 175.555 175.328 -0.114 0.000 1.181 173 H CA -0.631 55.362 56.048 -0.093 0.000 1.146 173 H CB 2.293 32.041 29.762 -0.024 0.000 1.839 173 H HN 0.661 nan 8.280 nan 0.000 0.557 174 A N 0.946 123.765 122.820 -0.002 0.000 1.887 174 A HA -0.000 4.320 4.320 -0.000 0.000 0.212 174 A C 1.140 178.829 177.584 0.176 0.000 1.198 174 A CA 1.337 53.298 52.037 -0.127 0.000 0.628 174 A CB -0.057 18.876 19.000 -0.112 0.000 0.847 174 A HN 0.530 nan 8.150 nan 0.000 0.449 175 T N -2.294 112.303 114.554 0.072 0.000 2.925 175 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 175 T C 0.936 175.247 174.700 -0.648 0.000 1.021 175 T CA 0.046 62.074 62.100 -0.120 0.000 1.042 175 T CB 1.544 70.368 68.868 -0.074 0.000 1.037 175 T HN 0.518 nan 8.240 nan 0.000 0.481 176 A N 2.650 124.747 122.820 -1.205 0.000 2.067 176 A HA 0.046 4.365 4.320 -0.000 0.000 0.219 176 A C 2.474 179.843 177.584 -0.360 0.000 1.158 176 A CA 1.979 53.369 52.037 -1.078 0.000 0.661 176 A CB -1.012 17.707 19.000 -0.470 0.000 0.801 176 A HN 1.046 nan 8.150 nan 0.000 0.452 177 S N 0.017 115.564 115.700 -0.254 0.000 2.335 177 S HA -0.158 4.312 4.470 -0.000 0.000 0.217 177 S C 1.656 176.159 174.600 -0.161 0.000 1.032 177 S CA 1.183 59.299 58.200 -0.140 0.000 0.985 177 S CB -0.674 62.470 63.200 -0.093 0.000 0.896 177 S HN 0.607 nan 8.310 nan 0.000 0.445 178 E N 1.718 121.804 120.200 -0.190 0.000 2.273 178 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 178 E C 2.277 178.590 176.600 -0.478 0.000 1.002 178 E CA 0.870 57.120 56.400 -0.249 0.000 0.828 178 E CB -0.446 29.154 29.700 -0.167 0.000 0.747 178 E HN 0.719 nan 8.360 nan 0.000 0.491 179 A N 1.604 124.175 122.820 -0.414 0.000 1.845 179 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 179 A C 1.932 179.379 177.584 -0.227 0.000 1.195 179 A CA 1.497 53.304 52.037 -0.384 0.000 0.616 179 A CB -0.457 18.494 19.000 -0.081 0.000 0.832 179 A HN 0.172 nan 8.150 nan 0.000 0.443 180 E N -0.738 119.397 120.200 -0.108 0.000 2.209 180 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 180 E C 2.011 178.580 176.600 -0.052 0.000 0.993 180 E CA 1.067 57.458 56.400 -0.015 0.000 0.819 180 E CB -0.117 29.608 29.700 0.041 0.000 0.745 180 E HN 0.785 nan 8.360 nan 0.000 0.477 181 E N 0.760 120.893 120.200 -0.112 0.000 2.106 181 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 181 E C 2.090 178.629 176.600 -0.103 0.000 0.984 181 E CA 0.857 57.200 56.400 -0.095 0.000 0.806 181 E CB 0.163 29.801 29.700 -0.103 0.000 0.750 181 E HN 0.051 nan 8.360 nan 0.000 0.458 182 Q N 0.513 120.218 119.800 -0.158 0.000 2.050 182 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 182 Q C 2.140 178.079 176.000 -0.102 0.000 0.980 182 Q CA 1.649 57.391 55.803 -0.102 0.000 0.840 182 Q CB -0.452 28.240 28.738 -0.076 0.000 0.898 182 Q HN 0.178 nan 8.270 nan 0.000 0.424 183 V N 1.184 121.047 119.914 -0.086 0.000 2.370 183 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 183 V C 2.101 178.135 176.094 -0.100 0.000 1.068 183 V CA 2.342 64.588 62.300 -0.090 0.000 1.061 183 V CB -0.575 31.248 31.823 0.000 0.000 0.656 183 V HN 0.460 nan 8.190 nan 0.000 0.455 184 E N -0.398 119.764 120.200 -0.063 0.000 2.046 184 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 184 E C 2.487 179.036 176.600 -0.085 0.000 0.982 184 E CA 0.962 57.332 56.400 -0.049 0.000 0.800 184 E CB -0.186 29.497 29.700 -0.028 0.000 0.756 184 E HN 0.559 nan 8.360 nan 0.000 0.449 185 R N 0.835 121.275 120.500 -0.100 0.000 2.083 185 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 185 R C 2.485 178.660 176.300 -0.208 0.000 1.137 185 R CA 1.239 57.275 56.100 -0.108 0.000 0.951 185 R CB -0.522 29.735 30.300 -0.073 0.000 0.851 185 R HN 0.114 nan 8.270 nan 0.000 0.434 186 A N 0.843 123.457 122.820 -0.344 0.000 1.896 186 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 186 A C 2.415 179.608 177.584 -0.652 0.000 1.206 186 A CA 2.121 53.718 52.037 -0.734 0.000 0.647 186 A CB -0.928 17.382 19.000 -1.150 0.000 0.828 186 A HN 0.163 nan 8.150 nan 0.000 0.455 187 V N -0.317 119.392 119.914 -0.343 0.000 2.287 187 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 187 V C 2.553 178.645 176.094 -0.004 0.000 1.053 187 V CA 2.460 64.717 62.300 -0.071 0.000 1.027 187 V CB -0.764 31.119 31.823 0.100 0.000 0.646 187 V HN 0.662 nan 8.190 nan 0.000 0.447 188 E N -0.239 119.936 120.200 -0.041 0.000 2.265 188 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 188 E C 1.897 178.472 176.600 -0.042 0.000 0.996 188 E CA 0.962 57.363 56.400 0.002 0.000 0.832 188 E CB -0.248 29.447 29.700 -0.008 0.000 0.756 188 E HN 0.611 nan 8.360 nan 0.000 0.491 189 I N -0.809 119.664 120.570 -0.162 0.000 2.233 189 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 189 I C 1.601 177.623 176.117 -0.160 0.000 1.093 189 I CA 0.921 62.102 61.300 -0.198 0.000 1.380 189 I CB -0.195 37.602 38.000 -0.339 0.000 1.067 189 I HN 0.222 nan 8.210 nan 0.000 0.413 190 Y N 0.912 120.969 120.300 -0.405 0.000 2.352 190 Y HA -0.214 4.336 4.550 -0.000 0.000 0.292 190 Y C 2.562 178.117 175.900 -0.574 0.000 1.136 190 Y CA 0.409 58.065 58.100 -0.740 0.000 1.227 190 Y CB -0.030 37.718 38.460 -1.186 0.000 0.991 190 Y HN 0.131 nan 8.280 nan 0.000 0.545 191 K N 0.536 120.933 120.400 -0.005 0.000 1.985 191 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 191 K C 1.958 178.640 176.600 0.136 0.000 1.047 191 K CA 1.644 58.010 56.287 0.132 0.000 0.932 191 K CB -0.269 32.390 32.500 0.265 0.000 0.716 191 K HN 0.296 nan 8.250 nan 0.000 0.439 192 E N 0.346 120.603 120.200 0.094 0.000 2.097 192 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 192 E C 1.934 178.608 176.600 0.124 0.000 1.000 192 E CA 1.213 57.675 56.400 0.103 0.000 0.804 192 E CB -0.137 29.597 29.700 0.057 0.000 0.740 192 E HN 0.189 nan 8.360 nan 0.000 0.454 193 F N 0.829 120.691 119.950 -0.147 0.000 2.026 193 F HA -0.215 4.312 4.527 -0.000 0.000 0.296 193 F C 1.868 177.647 175.800 -0.034 0.000 1.133 193 F CA 1.746 59.629 58.000 -0.195 0.000 1.188 193 F CB -1.074 37.656 39.000 -0.449 0.000 0.968 193 F HN 0.060 nan 8.300 nan 0.000 0.476 194 F N 0.776 120.618 119.950 -0.181 0.000 2.120 194 F HA -0.306 4.221 4.527 -0.000 0.000 0.300 194 F C 2.311 178.113 175.800 0.005 0.000 1.095 194 F CA 1.454 59.310 58.000 -0.241 0.000 1.249 194 F CB -0.889 37.984 39.000 -0.211 0.000 0.995 194 F HN 0.131 nan 8.300 nan 0.000 0.480 195 N N -0.324 118.579 118.700 0.338 0.000 2.205 195 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 195 N C 1.711 177.336 175.510 0.191 0.000 1.015 195 N CA 1.154 54.399 53.050 0.326 0.000 0.862 195 N CB -0.175 38.488 38.487 0.294 0.000 0.986 195 N HN 0.106 nan 8.380 nan 0.000 0.429 196 S N 0.606 116.376 115.700 0.118 0.000 2.428 196 S HA 0.080 4.550 4.470 -0.000 0.000 0.230 196 S C 1.674 176.297 174.600 0.038 0.000 1.014 196 S CA 0.587 58.830 58.200 0.071 0.000 0.957 196 S CB 0.069 63.313 63.200 0.074 0.000 0.784 196 S HN 0.271 nan 8.310 nan 0.000 0.499 197 L N 0.613 121.839 121.223 0.004 0.000 2.567 197 L HA 0.239 4.579 4.340 -0.000 0.000 0.225 197 L C 1.378 178.335 176.870 0.145 0.000 1.119 197 L CA 0.192 55.039 54.840 0.012 0.000 0.871 197 L CB -0.509 41.487 42.059 -0.103 0.000 1.036 197 L HN 0.429 nan 8.230 nan 0.000 0.459 198 G N 1.779 110.682 108.800 0.172 0.000 2.272 198 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 198 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 198 G C -0.109 174.947 174.900 0.259 0.000 1.067 198 G CA -0.023 45.232 45.100 0.258 0.000 0.902 198 G HN 0.322 nan 8.290 nan 0.000 0.500 199 I N 1.510 122.162 120.570 0.136 0.000 2.404 199 I HA 0.391 4.561 4.170 -0.000 0.000 0.293 199 I C -1.736 174.283 176.117 -0.164 0.000 0.992 199 I CA -2.615 58.630 61.300 -0.092 0.000 1.149 199 I CB 2.378 40.252 38.000 -0.209 0.000 1.315 199 I HN -0.025 nan 8.210 nan 0.000 0.446 200 P HA 0.293 nan 4.420 nan 0.000 0.279 200 P C -1.754 175.123 177.300 -0.704 0.000 1.252 200 P CA -0.056 62.221 63.100 -1.373 0.000 0.811 200 P CB 0.985 31.714 31.700 -1.618 0.000 1.035 201 Y N -0.575 119.282 120.300 -0.739 0.000 2.638 201 Y HA 0.683 5.233 4.550 -0.000 0.000 0.335 201 Y C -1.601 174.134 175.900 -0.274 0.000 1.155 201 Y CA -1.632 56.254 58.100 -0.358 0.000 1.046 201 Y CB 1.005 39.406 38.460 -0.098 0.000 1.303 201 Y HN 0.223 nan 8.280 nan 0.000 0.460 202 L N 3.127 124.278 121.223 -0.120 0.000 2.372 202 L HA 0.655 4.994 4.340 -0.000 0.000 0.273 202 L C -1.661 175.063 176.870 -0.244 0.000 0.989 202 L CA -0.858 53.849 54.840 -0.223 0.000 0.841 202 L CB 1.019 42.889 42.059 -0.316 0.000 1.225 202 L HN 0.682 nan 8.230 nan 0.000 0.414 203 I N 5.495 125.901 120.570 -0.273 0.000 2.312 203 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 203 I C 0.613 176.586 176.117 -0.240 0.000 1.031 203 I CA -0.075 61.006 61.300 -0.365 0.000 1.293 203 I CB 1.084 38.814 38.000 -0.450 0.000 1.403 203 I HN 0.827 nan 8.210 nan 0.000 0.484 204 T N 3.026 117.469 114.554 -0.184 0.000 2.633 204 T HA 0.549 4.899 4.350 -0.000 0.000 0.262 204 T C -0.325 174.344 174.700 -0.051 0.000 0.920 204 T CA -0.956 61.073 62.100 -0.117 0.000 1.062 204 T CB 1.777 70.569 68.868 -0.126 0.000 1.390 204 T HN 0.592 nan 8.240 nan 0.000 0.549 205 R N 0.617 121.100 120.500 -0.029 0.000 2.545 205 R HA 0.347 4.687 4.340 -0.000 0.000 0.289 205 R C -0.352 175.928 176.300 -0.033 0.000 1.327 205 R CA -0.683 55.413 56.100 -0.007 0.000 1.040 205 R CB 0.674 30.972 30.300 -0.004 0.000 1.176 205 R HN 0.498 nan 8.270 nan 0.000 0.518 206 R N 3.095 123.570 120.500 -0.043 0.000 2.598 206 R HA -0.042 4.298 4.340 -0.000 0.000 0.266 206 R C -2.203 173.999 176.300 -0.162 0.000 0.977 206 R CA -0.536 55.501 56.100 -0.104 0.000 1.097 206 R CB -0.124 30.130 30.300 -0.077 0.000 0.911 206 R HN 0.488 nan 8.270 nan 0.000 0.419 207 P HA 0.064 nan 4.420 nan 0.000 0.275 207 P C -1.671 175.382 177.300 -0.412 0.000 1.228 207 P CA -1.151 61.623 63.100 -0.542 0.000 0.786 207 P CB 0.388 31.253 31.700 -1.392 0.000 0.927 208 P HA -0.147 nan 4.420 nan 0.000 0.224 208 P C 0.438 177.818 177.300 0.132 0.000 1.142 208 P CA 1.404 64.526 63.100 0.036 0.000 0.778 208 P CB -0.292 31.486 31.700 0.130 0.000 0.764 209 W N -0.887 120.474 121.300 0.102 0.000 3.278 209 W HA 0.340 5.000 4.660 -0.000 0.000 0.308 209 W C 0.653 177.219 176.519 0.079 0.000 1.253 209 W CA 0.024 57.418 57.345 0.081 0.000 1.759 209 W CB -0.693 28.811 29.460 0.073 0.000 1.093 209 W HN -0.252 nan 8.180 nan 0.000 0.648 210 D N 0.888 121.219 120.400 -0.115 0.000 2.473 210 D HA -0.013 4.627 4.640 -0.000 0.000 0.230 210 D C 1.052 177.375 176.300 0.039 0.000 1.097 210 D CA 0.271 54.245 54.000 -0.042 0.000 0.861 210 D CB 0.124 40.813 40.800 -0.184 0.000 1.114 210 D HN 0.269 nan 8.370 nan 0.000 0.500 211 K N 0.314 120.735 120.400 0.036 0.000 2.339 211 K HA -0.070 4.250 4.320 -0.000 0.000 0.260 211 K C 0.028 176.773 176.600 0.241 0.000 0.989 211 K CA -0.277 56.086 56.287 0.127 0.000 0.888 211 K CB 0.392 32.972 32.500 0.134 0.000 0.983 211 K HN -0.209 nan 8.250 nan 0.000 0.515 212 F N 1.769 121.831 119.950 0.188 0.000 2.504 212 F HA 0.210 4.737 4.527 -0.000 0.000 0.369 212 F C -2.030 173.904 175.800 0.223 0.000 1.082 212 F CA -2.360 55.803 58.000 0.272 0.000 1.216 212 F CB 0.328 39.650 39.000 0.535 0.000 1.108 212 F HN 0.432 nan 8.300 nan 0.000 0.554 213 P HA 0.096 nan 4.420 nan 0.000 0.253 213 P C 0.485 177.720 177.300 -0.107 0.000 1.159 213 P CA 1.819 64.776 63.100 -0.238 0.000 0.779 213 P CB 0.007 31.499 31.700 -0.347 0.000 0.745 214 G N 2.339 111.158 108.800 0.032 0.000 2.258 214 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.233 214 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.233 214 G C 0.508 175.584 174.900 0.294 0.000 1.006 214 G CA 0.179 45.335 45.100 0.092 0.000 0.620 214 G HN 0.767 nan 8.290 nan 0.000 0.511 215 S N 0.266 116.190 115.700 0.373 0.000 2.589 215 S HA 0.545 5.014 4.470 -0.000 0.000 0.265 215 S C 1.214 175.961 174.600 0.245 0.000 1.342 215 S CA 0.735 59.151 58.200 0.360 0.000 1.005 215 S CB 1.567 65.015 63.200 0.414 0.000 0.909 215 S HN 0.160 nan 8.310 nan 0.000 0.555 216 E N 0.385 120.705 120.200 0.200 0.000 2.051 216 E HA 0.127 4.477 4.350 -0.000 0.000 0.189 216 E C -0.165 176.634 176.600 0.331 0.000 0.979 216 E CA 1.291 57.838 56.400 0.246 0.000 0.803 216 E CB -0.248 29.630 29.700 0.296 0.000 0.761 216 E HN 0.850 nan 8.360 nan 0.000 0.451 217 Y N -2.784 117.597 120.300 0.135 0.000 2.409 217 Y HA 0.502 5.052 4.550 -0.000 0.000 0.321 217 Y C -0.983 174.961 175.900 0.074 0.000 1.209 217 Y CA -1.025 57.130 58.100 0.090 0.000 1.086 217 Y CB 0.547 39.041 38.460 0.056 0.000 1.320 217 Y HN -0.351 nan 8.280 nan 0.000 0.440 218 T N 4.029 118.662 114.554 0.130 0.000 2.867 218 T HA 0.655 5.005 4.350 -0.000 0.000 0.282 218 T C -0.611 174.106 174.700 0.027 0.000 1.000 218 T CA -0.673 61.399 62.100 -0.046 0.000 1.042 218 T CB 1.668 70.454 68.868 -0.136 0.000 0.973 218 T HN 0.576 nan 8.240 nan 0.000 0.465 219 V N 1.990 121.899 119.914 -0.007 0.000 2.581 219 V HA 0.855 4.975 4.120 -0.000 0.000 0.303 219 V C -0.028 176.112 176.094 0.075 0.000 1.041 219 V CA -0.782 61.559 62.300 0.069 0.000 0.907 219 V CB 1.643 33.542 31.823 0.128 0.000 0.994 219 V HN 1.101 nan 8.190 nan 0.000 0.442 220 A N 3.470 126.343 122.820 0.088 0.000 2.435 220 A HA 0.907 5.227 4.320 -0.000 0.000 0.304 220 A C -1.497 176.194 177.584 0.178 0.000 1.064 220 A CA -0.402 51.728 52.037 0.155 0.000 0.727 220 A CB 1.295 20.334 19.000 0.066 0.000 1.284 220 A HN 0.565 nan 8.150 nan 0.000 0.415 221 F N 1.433 121.411 119.950 0.048 0.000 2.426 221 F HA 0.451 4.978 4.527 -0.000 0.000 0.348 221 F C 0.037 175.824 175.800 -0.022 0.000 1.124 221 F CA -0.115 57.915 58.000 0.050 0.000 1.008 221 F CB 1.951 41.022 39.000 0.118 0.000 1.139 221 F HN 0.499 nan 8.300 nan 0.000 0.452 222 D N 1.328 121.765 120.400 0.062 0.000 2.527 222 D HA 0.434 5.074 4.640 -0.000 0.000 0.233 222 D C -0.795 175.455 176.300 -0.083 0.000 1.063 222 D CA -0.216 53.772 54.000 -0.020 0.000 0.880 222 D CB 2.851 43.619 40.800 -0.054 0.000 1.457 222 D HN 0.419 nan 8.370 nan 0.000 0.475 223 T N 0.595 115.077 114.554 -0.120 0.000 2.896 223 T HA 0.467 4.817 4.350 -0.000 0.000 0.297 223 T C -1.474 173.127 174.700 -0.165 0.000 1.108 223 T CA -0.541 61.446 62.100 -0.188 0.000 1.004 223 T CB 1.442 70.159 68.868 -0.251 0.000 1.159 223 T HN 0.147 nan 8.240 nan 0.000 0.499 224 L N 4.143 125.244 121.223 -0.204 0.000 2.289 224 L HA 0.618 4.958 4.340 -0.000 0.000 0.285 224 L C -0.133 176.609 176.870 -0.213 0.000 1.049 224 L CA -0.349 54.383 54.840 -0.181 0.000 0.804 224 L CB 0.908 42.856 42.059 -0.184 0.000 1.195 224 L HN 0.630 nan 8.230 nan 0.000 0.428 225 M N 5.552 125.039 119.600 -0.189 0.000 2.371 225 M HA 0.343 4.823 4.480 -0.000 0.000 0.301 225 M C -1.486 174.547 176.300 -0.444 0.000 1.173 225 M CA -2.037 53.090 55.300 -0.289 0.000 1.020 225 M CB 0.595 33.145 32.600 -0.084 0.000 1.490 225 M HN 0.358 nan 8.290 nan 0.000 0.485 226 P HA -0.109 nan 4.420 nan 0.000 0.221 226 P C 0.252 177.257 177.300 -0.491 0.000 1.150 226 P CA 1.062 63.736 63.100 -0.711 0.000 0.800 226 P CB 0.004 31.086 31.700 -1.030 0.000 0.787 227 D N -0.928 119.189 120.400 -0.472 0.000 2.344 227 D HA 0.070 4.709 4.640 -0.000 0.000 0.242 227 D C 1.248 177.460 176.300 -0.146 0.000 1.159 227 D CA 0.166 54.085 54.000 -0.136 0.000 0.859 227 D CB -1.406 39.460 40.800 0.110 0.000 0.925 227 D HN 0.150 nan 8.370 nan 0.000 0.510 228 G N 0.235 108.923 108.800 -0.187 0.000 2.187 228 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.261 228 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.261 228 G C 0.253 175.061 174.900 -0.154 0.000 1.000 228 G CA 0.480 45.490 45.100 -0.150 0.000 0.718 228 G HN 0.451 nan 8.290 nan 0.000 0.519 229 K N -0.457 119.824 120.400 -0.198 0.000 2.211 229 K HA 0.652 4.972 4.320 -0.000 0.000 0.237 229 K C -0.231 176.279 176.600 -0.151 0.000 1.002 229 K CA -0.509 55.629 56.287 -0.250 0.000 0.885 229 K CB 1.309 33.472 32.500 -0.563 0.000 1.136 229 K HN 0.044 nan 8.250 nan 0.000 0.448 230 T N 1.458 115.946 114.554 -0.110 0.000 2.824 230 T HA 0.411 4.761 4.350 -0.000 0.000 0.280 230 T C -0.982 173.774 174.700 0.094 0.000 0.995 230 T CA -0.569 61.519 62.100 -0.020 0.000 1.009 230 T CB 0.702 69.549 68.868 -0.034 0.000 0.955 230 T HN 0.226 nan 8.240 nan 0.000 0.452 231 L N 3.372 124.647 121.223 0.088 0.000 2.346 231 L HA 0.501 4.841 4.340 -0.000 0.000 0.276 231 L C -0.157 176.728 176.870 0.024 0.000 1.006 231 L CA -0.467 54.431 54.840 0.097 0.000 0.817 231 L CB 1.831 43.916 42.059 0.044 0.000 1.272 231 L HN 0.579 nan 8.230 nan 0.000 0.421 232 Q N 4.504 124.328 119.800 0.041 0.000 2.294 232 Q HA 0.378 4.718 4.340 -0.000 0.000 0.257 232 Q C 0.190 176.207 176.000 0.028 0.000 0.955 232 Q CA -0.093 55.736 55.803 0.042 0.000 0.936 232 Q CB 0.725 29.502 28.738 0.064 0.000 1.188 232 Q HN 0.784 nan 8.270 nan 0.000 0.420 233 I N 0.541 121.122 120.570 0.019 0.000 3.833 233 I HA 0.620 4.790 4.170 -0.000 0.000 0.328 233 I C 0.011 176.160 176.117 0.052 0.000 1.554 233 I CA -0.491 60.804 61.300 -0.009 0.000 1.116 233 I CB 0.836 38.723 38.000 -0.188 0.000 1.182 233 I HN 0.551 nan 8.210 nan 0.000 0.459 234 G N 1.277 110.121 108.800 0.074 0.000 2.270 234 G HA2 0.389 4.348 3.960 -0.000 0.000 0.295 234 G HA3 0.389 4.348 3.960 -0.000 0.000 0.295 234 G C -0.876 174.118 174.900 0.157 0.000 1.732 234 G CA -0.070 45.022 45.100 -0.013 0.000 0.909 234 G HN 0.295 nan 8.290 nan 0.000 0.730 235 T N -1.782 112.896 114.554 0.207 0.000 2.906 235 T HA 0.816 5.165 4.350 -0.000 0.000 0.295 235 T C -0.962 173.871 174.700 0.222 0.000 1.061 235 T CA -0.971 61.233 62.100 0.174 0.000 1.000 235 T CB 2.388 71.293 68.868 0.063 0.000 1.103 235 T HN 1.166 nan 8.240 nan 0.000 0.486 236 V N 3.181 123.128 119.914 0.055 0.000 2.525 236 V HA 0.471 4.590 4.120 -0.000 0.000 0.299 236 V C -0.637 175.427 176.094 -0.050 0.000 1.034 236 V CA -0.809 61.545 62.300 0.090 0.000 0.863 236 V CB 1.389 33.181 31.823 -0.052 0.000 0.999 236 V HN 0.999 nan 8.190 nan 0.000 0.423 237 H N 3.686 122.727 119.070 -0.049 0.000 2.524 237 H HA 0.426 4.982 4.556 -0.000 0.000 0.353 237 H C -0.662 174.563 175.328 -0.171 0.000 1.136 237 H CA -0.803 55.172 56.048 -0.122 0.000 1.193 237 H CB 2.384 32.048 29.762 -0.163 0.000 1.558 237 H HN 0.510 nan 8.280 nan 0.000 0.515 238 N N 4.002 122.576 118.700 -0.209 0.000 2.800 238 N HA 0.148 4.888 4.740 -0.000 0.000 0.240 238 N C -0.285 175.185 175.510 -0.066 0.000 1.096 238 N CA -0.228 52.667 53.050 -0.258 0.000 0.877 238 N CB 0.283 38.331 38.487 -0.732 0.000 1.138 238 N HN 0.515 nan 8.380 nan 0.000 0.509 239 L N 0.498 121.760 121.223 0.065 0.000 2.416 239 L HA 0.439 4.779 4.340 -0.000 0.000 0.212 239 L C 1.714 178.711 176.870 0.212 0.000 1.200 239 L CA -0.258 54.693 54.840 0.186 0.000 0.841 239 L CB -0.026 42.090 42.059 0.096 0.000 1.299 239 L HN 0.400 nan 8.230 nan 0.000 0.538 240 G N -1.776 107.196 108.800 0.286 0.000 2.844 240 G HA2 0.193 4.153 3.960 -0.000 0.000 0.204 240 G HA3 0.193 4.153 3.960 -0.000 0.000 0.204 240 G C 0.328 175.361 174.900 0.222 0.000 1.815 240 G CA -0.126 45.123 45.100 0.247 0.000 0.739 240 G HN 0.524 nan 8.290 nan 0.000 0.807 241 Q N 0.060 119.954 119.800 0.156 0.000 2.164 241 Q HA 0.121 4.461 4.340 -0.000 0.000 0.226 241 Q C 2.178 178.234 176.000 0.093 0.000 0.813 241 Q CA 0.340 56.196 55.803 0.087 0.000 0.978 241 Q CB 0.971 29.696 28.738 -0.023 0.000 1.149 241 Q HN 0.439 nan 8.270 nan 0.000 0.489 242 T N 1.144 115.784 114.554 0.142 0.000 2.624 242 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 242 T C 1.397 176.093 174.700 -0.006 0.000 1.041 242 T CA 1.677 63.803 62.100 0.044 0.000 1.159 242 T CB -0.278 68.635 68.868 0.075 0.000 0.863 242 T HN 0.162 nan 8.240 nan 0.000 0.434 243 F N 1.443 121.440 119.950 0.078 0.000 2.234 243 F HA 0.316 4.843 4.527 -0.000 0.000 0.296 243 F C 2.699 178.644 175.800 0.242 0.000 1.089 243 F CA 0.109 58.182 58.000 0.122 0.000 1.343 243 F CB -1.141 37.969 39.000 0.184 0.000 1.040 243 F HN 0.120 nan 8.300 nan 0.000 0.498 244 A N 0.611 123.720 122.820 0.481 0.000 1.903 244 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 244 A C 2.328 180.173 177.584 0.436 0.000 1.191 244 A CA 2.107 54.428 52.037 0.474 0.000 0.638 244 A CB -0.759 18.497 19.000 0.426 0.000 0.823 244 A HN 0.330 nan 8.150 nan 0.000 0.451 245 R N -1.346 119.235 120.500 0.135 0.000 2.066 245 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 245 R C 2.331 178.620 176.300 -0.018 0.000 1.131 245 R CA 1.768 57.812 56.100 -0.092 0.000 0.955 245 R CB -0.754 29.303 30.300 -0.404 0.000 0.851 245 R HN 0.526 nan 8.270 nan 0.000 0.432 246 T N 0.295 114.749 114.554 -0.166 0.000 2.803 246 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 246 T C 0.842 175.280 174.700 -0.437 0.000 1.052 246 T CA 1.267 63.120 62.100 -0.412 0.000 1.136 246 T CB -0.097 68.309 68.868 -0.770 0.000 0.864 246 T HN 0.108 nan 8.240 nan 0.000 0.467 247 F N 0.334 120.374 119.950 0.149 0.000 2.678 247 F HA 0.446 4.973 4.527 -0.000 0.000 0.305 247 F C 0.442 176.356 175.800 0.189 0.000 1.090 247 F CA -0.790 57.308 58.000 0.164 0.000 1.272 247 F CB 0.003 39.127 39.000 0.206 0.000 1.060 247 F HN -0.090 nan 8.300 nan 0.000 0.576 248 E N 1.267 121.684 120.200 0.362 0.000 3.117 248 E HA -0.164 4.186 4.350 -0.000 0.000 0.156 248 E C -0.864 175.901 176.600 0.276 0.000 1.699 248 E CA 0.330 56.926 56.400 0.326 0.000 0.728 248 E CB -1.290 28.545 29.700 0.224 0.000 1.091 248 E HN 0.387 nan 8.360 nan 0.000 0.369 249 I N 3.414 124.165 120.570 0.302 0.000 2.595 249 I HA 0.237 4.407 4.170 -0.000 0.000 0.275 249 I C 0.240 176.428 176.117 0.119 0.000 1.092 249 I CA -0.671 60.766 61.300 0.227 0.000 1.145 249 I CB 0.830 39.008 38.000 0.296 0.000 1.276 249 I HN 0.089 nan 8.210 nan 0.000 0.497 250 K N 5.112 125.511 120.400 -0.002 0.000 2.166 250 K HA 0.761 5.081 4.320 -0.000 0.000 0.245 250 K C -0.821 175.841 176.600 0.103 0.000 0.967 250 K CA -0.577 55.667 56.287 -0.073 0.000 0.863 250 K CB 1.961 34.322 32.500 -0.232 0.000 1.107 250 K HN 0.378 nan 8.250 nan 0.000 0.436 251 F N -1.516 118.359 119.950 -0.126 0.000 2.596 251 F HA 0.402 4.929 4.527 -0.000 0.000 0.311 251 F C -0.837 174.836 175.800 -0.212 0.000 1.116 251 F CA -1.027 56.900 58.000 -0.123 0.000 0.957 251 F CB 1.379 40.359 39.000 -0.034 0.000 1.250 251 F HN 0.361 nan 8.300 nan 0.000 0.444 252 E N 2.783 122.645 120.200 -0.563 0.000 2.331 252 E HA 0.341 4.691 4.350 -0.000 0.000 0.272 252 E C -0.519 175.865 176.600 -0.361 0.000 1.036 252 E CA -0.578 55.402 56.400 -0.701 0.000 0.864 252 E CB 1.436 30.770 29.700 -0.610 0.000 1.035 252 E HN 0.674 nan 8.360 nan 0.000 0.408 253 T N 2.967 117.332 114.554 -0.316 0.000 2.912 253 T HA 0.154 4.504 4.350 -0.000 0.000 0.280 253 T C -1.718 172.982 174.700 -0.000 0.000 0.989 253 T CA -1.556 60.466 62.100 -0.129 0.000 0.995 253 T CB 1.012 69.767 68.868 -0.188 0.000 1.077 253 T HN 0.254 nan 8.240 nan 0.000 0.531 254 P HA -0.056 nan 4.420 nan 0.000 0.216 254 P C 0.739 178.030 177.300 -0.015 0.000 1.150 254 P CA 0.948 64.006 63.100 -0.070 0.000 0.837 254 P CB 0.115 31.687 31.700 -0.214 0.000 0.786 255 E N -1.312 118.871 120.200 -0.029 0.000 2.494 255 E HA 0.229 4.579 4.350 -0.000 0.000 0.193 255 E C 1.167 177.772 176.600 0.009 0.000 1.074 255 E CA 0.498 56.893 56.400 -0.008 0.000 0.867 255 E CB -1.068 28.626 29.700 -0.011 0.000 0.924 255 E HN 0.121 nan 8.360 nan 0.000 0.502 256 G N 1.219 110.030 108.800 0.018 0.000 2.273 256 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 256 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 256 G C -0.350 174.614 174.900 0.106 0.000 1.047 256 G CA 0.481 45.614 45.100 0.055 0.000 0.869 256 G HN 0.243 nan 8.290 nan 0.000 0.502 257 D N -0.904 119.547 120.400 0.085 0.000 2.621 257 D HA 0.633 5.273 4.640 -0.000 0.000 0.255 257 D C -0.520 175.998 176.300 0.364 0.000 1.122 257 D CA -0.426 53.678 54.000 0.173 0.000 1.096 257 D CB 0.931 41.749 40.800 0.030 0.000 1.282 257 D HN 0.227 nan 8.370 nan 0.000 0.619 258 H N 0.090 119.042 119.070 -0.196 0.000 3.078 258 H HA 0.392 4.948 4.556 -0.000 0.000 0.319 258 H C -0.565 174.620 175.328 -0.239 0.000 0.995 258 H CA -0.366 55.518 56.048 -0.272 0.000 1.417 258 H CB 0.909 30.553 29.762 -0.196 0.000 1.598 258 H HN 0.123 nan 8.280 nan 0.000 0.515 259 E N 1.654 121.727 120.200 -0.212 0.000 2.263 259 E HA 0.343 4.693 4.350 -0.000 0.000 0.264 259 E C -0.513 176.135 176.600 0.080 0.000 0.923 259 E CA -1.027 55.377 56.400 0.006 0.000 0.802 259 E CB 2.081 31.857 29.700 0.126 0.000 1.228 259 E HN 0.331 nan 8.360 nan 0.000 0.417 260 Y N 0.080 120.480 120.300 0.167 0.000 2.281 260 Y HA 0.162 4.711 4.550 -0.000 0.000 0.337 260 Y C 0.693 176.690 175.900 0.162 0.000 1.304 260 Y CA -0.650 57.553 58.100 0.172 0.000 1.465 260 Y CB 0.400 38.914 38.460 0.089 0.000 1.350 260 Y HN 0.221 nan 8.280 nan 0.000 0.575 261 V N -1.480 118.587 119.914 0.256 0.000 2.973 261 V HA 0.466 4.586 4.120 -0.000 0.000 0.314 261 V C -0.945 175.125 176.094 -0.041 0.000 1.066 261 V CA -1.107 61.238 62.300 0.075 0.000 1.021 261 V CB 1.155 33.013 31.823 0.058 0.000 1.076 261 V HN 0.692 nan 8.190 nan 0.000 0.462 262 H N 2.277 121.443 119.070 0.161 0.000 2.476 262 H HA 0.666 5.222 4.556 -0.000 0.000 0.328 262 H C -0.156 175.287 175.328 0.192 0.000 1.073 262 H CA -0.368 55.786 56.048 0.176 0.000 1.229 262 H CB 1.294 31.139 29.762 0.140 0.000 1.432 262 H HN 0.851 nan 8.280 nan 0.000 0.477 263 Q N 1.050 121.019 119.800 0.282 0.000 2.451 263 Q HA 0.659 4.999 4.340 -0.000 0.000 0.281 263 Q C -0.983 175.128 176.000 0.185 0.000 1.099 263 Q CA -1.322 54.624 55.803 0.238 0.000 0.806 263 Q CB 2.688 31.552 28.738 0.210 0.000 1.419 263 Q HN 0.616 nan 8.270 nan 0.000 0.427 264 T N -1.630 113.019 114.554 0.158 0.000 2.909 264 T HA 0.750 5.100 4.350 -0.000 0.000 0.299 264 T C -0.382 174.336 174.700 0.030 0.000 1.073 264 T CA -0.534 61.629 62.100 0.105 0.000 0.999 264 T CB 1.355 70.313 68.868 0.151 0.000 1.098 264 T HN 1.085 nan 8.240 nan 0.000 0.477 265 C N 2.113 121.377 119.300 -0.059 0.000 3.044 265 C HA 1.074 5.534 4.460 -0.000 0.000 0.315 265 C C -1.623 173.309 174.990 -0.098 0.000 1.320 265 C CA -1.163 57.647 59.018 -0.347 0.000 1.582 265 C CB 0.381 27.744 27.740 -0.627 0.000 2.039 265 C HN 1.335 nan 8.230 nan 0.000 0.466 266 Y N -0.621 119.513 120.300 -0.277 0.000 2.583 266 Y HA 0.795 5.345 4.550 -0.000 0.000 0.330 266 Y C -0.421 175.419 175.900 -0.100 0.000 1.185 266 Y CA -0.275 57.776 58.100 -0.082 0.000 1.107 266 Y CB 0.740 39.161 38.460 -0.065 0.000 1.344 266 Y HN 1.555 nan 8.280 nan 0.000 0.463 267 G N 1.015 109.931 108.800 0.194 0.000 2.608 267 G HA2 0.720 4.680 3.960 -0.000 0.000 0.291 267 G HA3 0.720 4.680 3.960 -0.000 0.000 0.291 267 G C -2.375 172.520 174.900 -0.008 0.000 1.425 267 G CA -0.812 44.269 45.100 -0.031 0.000 0.787 267 G HN 1.131 nan 8.290 nan 0.000 0.484 268 L N -1.108 120.021 121.223 -0.158 0.000 2.469 268 L HA 0.949 5.289 4.340 -0.000 0.000 0.256 268 L C 0.372 177.275 176.870 0.055 0.000 1.006 268 L CA -0.857 53.941 54.840 -0.070 0.000 0.832 268 L CB 1.234 43.136 42.059 -0.262 0.000 1.421 268 L HN 0.961 nan 8.230 nan 0.000 0.410 269 S N -1.457 114.350 115.700 0.178 0.000 3.206 269 S HA 0.492 4.962 4.470 -0.000 0.000 0.261 269 S C 0.214 174.910 174.600 0.160 0.000 1.020 269 S CA -0.122 58.225 58.200 0.245 0.000 1.078 269 S CB 0.605 63.982 63.200 0.295 0.000 1.301 269 S HN 0.671 nan 8.310 nan 0.000 0.677 270 D N 0.514 121.010 120.400 0.160 0.000 2.317 270 D HA 0.074 4.714 4.640 -0.000 0.000 0.211 270 D C 1.948 178.334 176.300 0.142 0.000 0.966 270 D CA 0.383 54.485 54.000 0.171 0.000 0.876 270 D CB -0.216 40.709 40.800 0.209 0.000 0.927 270 D HN 0.408 nan 8.370 nan 0.000 0.519 271 R N 0.638 121.199 120.500 0.100 0.000 2.117 271 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 271 R C 2.390 178.722 176.300 0.053 0.000 1.143 271 R CA 0.700 56.834 56.100 0.056 0.000 0.968 271 R CB -0.444 29.870 30.300 0.024 0.000 0.863 271 R HN 0.066 nan 8.270 nan 0.000 0.444 272 V N 1.501 121.463 119.914 0.079 0.000 2.282 272 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 272 V C 2.244 178.380 176.094 0.070 0.000 1.057 272 V CA 1.968 64.309 62.300 0.068 0.000 1.032 272 V CB -0.427 31.505 31.823 0.182 0.000 0.645 272 V HN 0.316 nan 8.190 nan 0.000 0.447 273 I N 0.086 120.731 120.570 0.125 0.000 2.315 273 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 273 I C 2.677 178.894 176.117 0.166 0.000 1.117 273 I CA 1.261 62.651 61.300 0.151 0.000 1.404 273 I CB -0.669 37.467 38.000 0.227 0.000 1.071 273 I HN 0.306 nan 8.210 nan 0.000 0.419 274 A N 1.312 124.233 122.820 0.168 0.000 1.865 274 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 274 A C 2.559 180.244 177.584 0.169 0.000 1.191 274 A CA 2.732 54.907 52.037 0.230 0.000 0.623 274 A CB -1.073 18.027 19.000 0.166 0.000 0.826 274 A HN 0.532 nan 8.150 nan 0.000 0.444 275 S N -0.329 115.396 115.700 0.041 0.000 2.359 275 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 275 S C 1.733 176.323 174.600 -0.018 0.000 1.035 275 S CA 1.605 59.781 58.200 -0.041 0.000 1.018 275 S CB -1.208 61.910 63.200 -0.137 0.000 0.876 275 S HN 0.323 nan 8.310 nan 0.000 0.448 276 V N 2.204 122.132 119.914 0.023 0.000 2.546 276 V HA -0.164 3.956 4.120 -0.000 0.000 0.254 276 V C 2.376 178.579 176.094 0.181 0.000 1.076 276 V CA 1.858 64.209 62.300 0.086 0.000 1.087 276 V CB -0.855 31.038 31.823 0.116 0.000 0.674 276 V HN 0.538 nan 8.190 nan 0.000 0.470 277 I N -0.083 120.628 120.570 0.234 0.000 2.235 277 I HA -0.128 4.042 4.170 -0.000 0.000 0.241 277 I C 2.669 179.060 176.117 0.458 0.000 1.085 277 I CA 1.298 62.812 61.300 0.357 0.000 1.378 277 I CB -0.640 37.611 38.000 0.418 0.000 1.076 277 I HN 0.281 nan 8.210 nan 0.000 0.415 278 A N 1.335 124.399 122.820 0.406 0.000 1.858 278 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 278 A C 2.311 179.881 177.584 -0.023 0.000 1.190 278 A CA 1.425 53.657 52.037 0.325 0.000 0.617 278 A CB -0.892 18.228 19.000 0.200 0.000 0.827 278 A HN 0.327 nan 8.150 nan 0.000 0.443 279 I N -0.590 119.881 120.570 -0.164 0.000 2.151 279 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 279 I C 1.064 176.979 176.117 -0.338 0.000 1.080 279 I CA 1.139 62.226 61.300 -0.356 0.000 1.339 279 I CB -0.403 37.275 38.000 -0.536 0.000 1.039 279 I HN 0.392 nan 8.210 nan 0.000 0.409 280 H N 0.938 120.013 119.070 0.008 0.000 2.704 280 H HA 0.256 4.812 4.556 -0.000 0.000 0.315 280 H C 1.094 176.463 175.328 0.068 0.000 1.117 280 H CA 0.174 56.239 56.048 0.028 0.000 1.129 280 H CB -0.921 28.874 29.762 0.054 0.000 1.439 280 H HN 0.248 nan 8.280 nan 0.000 0.528 281 G N 0.586 109.416 108.800 0.050 0.000 2.196 281 G HA2 0.043 4.003 3.960 -0.000 0.000 0.448 281 G HA3 0.043 4.003 3.960 -0.000 0.000 0.448 281 G C -0.329 174.604 174.900 0.054 0.000 1.369 281 G CA 0.430 45.502 45.100 -0.046 0.000 1.136 281 G HN 0.532 nan 8.290 nan 0.000 0.607 282 D N -5.151 115.229 120.400 -0.033 0.000 3.276 282 D HA -0.009 4.631 4.640 -0.000 0.000 0.297 282 D C 0.670 177.090 176.300 0.200 0.000 1.004 282 D CA -0.426 53.630 54.000 0.094 0.000 0.724 282 D CB -0.155 40.753 40.800 0.181 0.000 1.866 282 D HN 0.159 nan 8.370 nan 0.000 0.501 283 E N 0.115 120.410 120.200 0.159 0.000 2.158 283 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 283 E C 1.462 178.211 176.600 0.247 0.000 0.982 283 E CA 0.858 57.384 56.400 0.209 0.000 0.823 283 E CB -0.065 29.714 29.700 0.132 0.000 0.766 283 E HN 0.344 nan 8.360 nan 0.000 0.468 284 S N -0.271 115.547 115.700 0.196 0.000 2.428 284 S HA 0.138 4.608 4.470 -0.000 0.000 0.230 284 S C 1.124 175.808 174.600 0.141 0.000 1.014 284 S CA 0.791 59.083 58.200 0.152 0.000 0.957 284 S CB 0.349 63.613 63.200 0.106 0.000 0.784 284 S HN 0.481 nan 8.310 nan 0.000 0.499 285 G N 0.409 109.357 108.800 0.247 0.000 2.233 285 G HA2 0.018 3.978 3.960 -0.000 0.000 0.162 285 G HA3 0.018 3.978 3.960 -0.000 0.000 0.162 285 G C -1.429 173.659 174.900 0.314 0.000 1.327 285 G CA -1.002 44.245 45.100 0.244 0.000 1.187 285 G HN 0.200 nan 8.290 nan 0.000 0.479 286 L N 0.702 122.041 121.223 0.193 0.000 2.410 286 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 286 L C 0.274 177.263 176.870 0.198 0.000 1.152 286 L CA -0.458 54.517 54.840 0.223 0.000 0.855 286 L CB 1.061 43.219 42.059 0.165 0.000 1.129 286 L HN 0.656 nan 8.230 nan 0.000 0.463 287 C N 6.077 125.506 119.300 0.216 0.000 2.364 287 C HA 0.750 5.210 4.460 -0.000 0.000 0.324 287 C C -0.394 174.676 174.990 0.133 0.000 1.234 287 C CA -0.557 58.553 59.018 0.154 0.000 1.417 287 C CB 0.144 27.973 27.740 0.149 0.000 2.101 287 C HN 0.764 nan 8.230 nan 0.000 0.466 288 L N 5.909 127.177 121.223 0.075 0.000 2.350 288 L HA 0.620 4.960 4.340 -0.000 0.000 0.260 288 L C -2.270 174.582 176.870 -0.030 0.000 1.015 288 L CA -1.855 53.009 54.840 0.040 0.000 0.821 288 L CB 2.120 44.223 42.059 0.072 0.000 1.370 288 L HN 0.383 nan 8.230 nan 0.000 0.416 289 P HA 0.106 nan 4.420 nan 0.000 0.269 289 P C -2.168 175.119 177.300 -0.022 0.000 1.209 289 P CA -0.890 62.169 63.100 -0.068 0.000 0.776 289 P CB 0.270 31.941 31.700 -0.048 0.000 0.876 290 P HA -0.144 nan 4.420 nan 0.000 0.216 290 P C 0.321 177.612 177.300 -0.015 0.000 1.150 290 P CA 1.509 64.603 63.100 -0.009 0.000 0.837 290 P CB -0.008 31.683 31.700 -0.014 0.000 0.786 291 D N -1.516 118.873 120.400 -0.018 0.000 2.319 291 D HA 0.036 4.676 4.640 -0.000 0.000 0.230 291 D C 1.152 177.446 176.300 -0.010 0.000 1.094 291 D CA 0.398 54.385 54.000 -0.021 0.000 0.856 291 D CB 0.404 41.194 40.800 -0.017 0.000 0.915 291 D HN 0.124 nan 8.370 nan 0.000 0.517 292 V N 0.002 119.914 119.914 -0.004 0.000 3.539 292 V HA 0.195 4.315 4.120 -0.000 0.000 0.262 292 V C 1.130 177.222 176.094 -0.004 0.000 1.381 292 V CA -0.011 62.288 62.300 -0.001 0.000 1.060 292 V CB 0.475 32.306 31.823 0.014 0.000 0.842 292 V HN 0.123 nan 8.190 nan 0.000 0.445 293 A N 0.479 123.306 122.820 0.012 0.000 2.429 293 A HA 0.571 4.891 4.320 -0.000 0.000 0.242 293 A C 1.756 179.341 177.584 0.002 0.000 1.088 293 A CA 0.694 52.751 52.037 0.033 0.000 0.784 293 A CB 0.228 19.268 19.000 0.067 0.000 1.038 293 A HN 0.495 nan 8.150 nan 0.000 0.501 294 A N 0.450 123.282 122.820 0.020 0.000 1.858 294 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 294 A C 0.990 178.391 177.584 -0.305 0.000 1.190 294 A CA 1.234 53.197 52.037 -0.123 0.000 0.617 294 A CB -0.504 18.488 19.000 -0.013 0.000 0.827 294 A HN 0.822 nan 8.150 nan 0.000 0.443 295 H N -1.468 117.627 119.070 0.042 0.000 2.538 295 H HA 0.349 4.904 4.556 -0.000 0.000 0.353 295 H C 0.180 175.511 175.328 0.005 0.000 1.109 295 H CA -0.461 55.581 56.048 -0.009 0.000 1.192 295 H CB 1.586 31.284 29.762 -0.107 0.000 1.555 295 H HN 0.441 nan 8.280 nan 0.000 0.518 296 Q N 0.884 120.765 119.800 0.135 0.000 2.137 296 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 296 Q C 0.164 176.224 176.000 0.100 0.000 0.960 296 Q CA 0.813 56.675 55.803 0.098 0.000 0.847 296 Q CB 0.772 29.558 28.738 0.080 0.000 0.915 296 Q HN 0.209 nan 8.270 nan 0.000 0.448 297 V N 0.331 120.305 119.914 0.100 0.000 2.876 297 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 297 V C -1.182 174.861 176.094 -0.086 0.000 1.085 297 V CA -0.851 61.466 62.300 0.028 0.000 0.945 297 V CB 2.340 34.200 31.823 0.061 0.000 1.017 297 V HN -0.039 nan 8.190 nan 0.000 0.428 298 V N 5.988 125.802 119.914 -0.167 0.000 2.577 298 V HA 0.610 4.730 4.120 -0.000 0.000 0.303 298 V C -0.828 175.126 176.094 -0.233 0.000 1.042 298 V CA -0.322 61.785 62.300 -0.322 0.000 0.872 298 V CB 1.680 33.140 31.823 -0.605 0.000 0.998 298 V HN 0.749 nan 8.190 nan 0.000 0.423 299 I N 7.303 127.736 120.570 -0.227 0.000 2.297 299 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 299 I C -0.413 175.632 176.117 -0.119 0.000 1.033 299 I CA -0.577 60.631 61.300 -0.153 0.000 1.253 299 I CB 1.662 39.577 38.000 -0.142 0.000 1.396 299 I HN 0.337 nan 8.210 nan 0.000 0.476 300 V N 9.007 128.887 119.914 -0.056 0.000 2.398 300 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 300 V C -2.151 173.955 176.094 0.020 0.000 1.026 300 V CA -1.527 60.784 62.300 0.019 0.000 0.868 300 V CB 1.671 33.557 31.823 0.105 0.000 0.982 300 V HN 0.580 nan 8.190 nan 0.000 0.443 301 P HA 0.498 nan 4.420 nan 0.000 0.301 301 P C -1.343 175.948 177.300 -0.015 0.000 1.337 301 P CA -0.514 62.583 63.100 -0.004 0.000 0.889 301 P CB 1.990 33.676 31.700 -0.024 0.000 1.050 302 I N 4.845 125.405 120.570 -0.017 0.000 2.312 302 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 302 I C 0.552 176.595 176.117 -0.125 0.000 1.008 302 I CA -0.622 60.629 61.300 -0.082 0.000 1.226 302 I CB 0.355 38.367 38.000 0.020 0.000 1.371 302 I HN 0.308 nan 8.210 nan 0.000 0.468 303 I N 5.420 125.803 120.570 -0.312 0.000 2.894 303 I HA 0.374 4.544 4.170 -0.000 0.000 0.302 303 I C -0.731 175.145 176.117 -0.402 0.000 1.188 303 I CA -0.421 60.759 61.300 -0.200 0.000 1.014 303 I CB 2.691 40.639 38.000 -0.086 0.000 1.242 303 I HN 0.274 nan 8.210 nan 0.000 0.430 304 F N 2.819 122.774 119.950 0.010 0.000 2.811 304 F HA 0.334 4.861 4.527 -0.000 0.000 0.342 304 F C 0.778 176.581 175.800 0.005 0.000 1.203 304 F CA -0.349 57.655 58.000 0.006 0.000 1.173 304 F CB 0.396 39.399 39.000 0.005 0.000 1.094 304 F HN 0.419 nan 8.300 nan 0.000 0.510 305 K N -0.517 119.969 120.400 0.143 0.000 3.510 305 K HA -0.163 4.157 4.320 -0.000 0.000 0.280 305 K C -0.286 176.361 176.600 0.079 0.000 1.307 305 K CA 0.696 57.037 56.287 0.090 0.000 0.955 305 K CB -0.984 31.567 32.500 0.084 0.000 1.363 305 K HN 0.247 nan 8.250 nan 0.000 0.492 306 K N 0.855 121.316 120.400 0.102 0.000 2.389 306 K HA 0.562 4.882 4.320 -0.000 0.000 0.261 306 K C 0.289 176.927 176.600 0.064 0.000 1.014 306 K CA 0.372 56.703 56.287 0.073 0.000 0.920 306 K CB 1.626 34.168 32.500 0.071 0.000 1.149 306 K HN 0.299 nan 8.250 nan 0.000 0.444 307 A N 2.204 125.050 122.820 0.043 0.000 3.028 307 A HA -0.275 4.045 4.320 -0.000 0.000 0.248 307 A C 1.569 179.171 177.584 0.029 0.000 1.316 307 A CA 0.955 53.012 52.037 0.033 0.000 1.003 307 A CB -2.170 16.850 19.000 0.035 0.000 1.148 307 A HN 0.871 nan 8.150 nan 0.000 0.828 308 A N -0.363 122.475 122.820 0.030 0.000 1.915 308 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 308 A C 1.788 179.378 177.584 0.009 0.000 1.198 308 A CA 2.151 54.199 52.037 0.018 0.000 0.647 308 A CB -0.475 18.535 19.000 0.016 0.000 0.825 308 A HN 0.754 nan 8.150 nan 0.000 0.456 309 E N -0.311 119.895 120.200 0.009 0.000 2.160 309 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 309 E C 1.858 178.459 176.600 0.002 0.000 0.991 309 E CA 1.385 57.787 56.400 0.004 0.000 0.810 309 E CB -0.343 29.360 29.700 0.005 0.000 0.742 309 E HN 0.813 nan 8.360 nan 0.000 0.466 310 E N 0.074 120.278 120.200 0.006 0.000 2.230 310 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 310 E C 2.118 178.720 176.600 0.002 0.000 0.987 310 E CA 0.265 56.667 56.400 0.004 0.000 0.841 310 E CB 0.358 30.063 29.700 0.008 0.000 0.783 310 E HN 0.017 nan 8.360 nan 0.000 0.481 311 V N 1.224 121.140 119.914 0.005 0.000 2.323 311 V HA -0.263 3.857 4.120 -0.000 0.000 0.244 311 V C 2.318 178.406 176.094 -0.010 0.000 1.041 311 V CA 1.246 63.547 62.300 0.001 0.000 1.025 311 V CB -0.323 31.504 31.823 0.006 0.000 0.656 311 V HN 0.305 nan 8.190 nan 0.000 0.451 312 M N -0.107 119.486 119.600 -0.012 0.000 2.084 312 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 312 M C 2.179 178.466 176.300 -0.021 0.000 1.072 312 M CA 1.735 57.023 55.300 -0.020 0.000 1.107 312 M CB -1.464 31.125 32.600 -0.018 0.000 1.299 312 M HN 0.379 nan 8.290 nan 0.000 0.413 313 E N -0.202 119.989 120.200 -0.015 0.000 2.394 313 E HA -0.180 4.170 4.350 -0.000 0.000 0.202 313 E C 1.697 178.285 176.600 -0.019 0.000 1.029 313 E CA 1.061 57.452 56.400 -0.015 0.000 0.855 313 E CB -0.098 29.596 29.700 -0.010 0.000 0.770 313 E HN 0.524 nan 8.360 nan 0.000 0.527 314 A N -0.380 122.428 122.820 -0.019 0.000 2.014 314 A HA -0.015 4.305 4.320 -0.000 0.000 0.210 314 A C 2.174 179.739 177.584 -0.033 0.000 1.188 314 A CA 0.073 52.096 52.037 -0.022 0.000 0.731 314 A CB -0.163 18.828 19.000 -0.016 0.000 0.858 314 A HN 0.309 nan 8.150 nan 0.000 0.464 315 C N -0.392 118.886 119.300 -0.036 0.000 2.435 315 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 315 C C 2.840 177.794 174.990 -0.059 0.000 1.321 315 C CA 0.904 59.892 59.018 -0.050 0.000 1.752 315 C CB -1.241 26.468 27.740 -0.053 0.000 1.959 315 C HN 0.591 nan 8.230 nan 0.000 0.500 316 R N 0.869 121.340 120.500 -0.049 0.000 2.062 316 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 316 R C 1.974 178.247 176.300 -0.046 0.000 1.136 316 R CA 1.264 57.336 56.100 -0.048 0.000 0.948 316 R CB -0.419 29.860 30.300 -0.036 0.000 0.845 316 R HN 0.582 nan 8.270 nan 0.000 0.430 317 E N 0.422 120.598 120.200 -0.040 0.000 2.448 317 E HA -0.204 4.146 4.350 -0.000 0.000 0.203 317 E C 1.379 177.948 176.600 -0.053 0.000 1.046 317 E CA 0.537 56.914 56.400 -0.039 0.000 0.871 317 E CB 0.066 29.747 29.700 -0.032 0.000 0.790 317 E HN 0.114 nan 8.360 nan 0.000 0.545 318 L N -0.183 121.001 121.223 -0.064 0.000 2.362 318 L HA 0.080 4.420 4.340 -0.000 0.000 0.204 318 L C 2.133 178.943 176.870 -0.101 0.000 1.060 318 L CA 1.170 55.958 54.840 -0.087 0.000 0.827 318 L CB -0.186 41.820 42.059 -0.088 0.000 1.027 318 L HN -0.160 nan 8.230 nan 0.000 0.474 319 R N -0.370 120.078 120.500 -0.086 0.000 2.070 319 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 319 R C 2.344 178.611 176.300 -0.055 0.000 1.138 319 R CA 1.928 57.981 56.100 -0.079 0.000 0.936 319 R CB -0.468 29.785 30.300 -0.077 0.000 0.839 319 R HN 0.563 nan 8.270 nan 0.000 0.429 320 S N 0.010 115.685 115.700 -0.042 0.000 2.440 320 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 320 S C 2.023 176.607 174.600 -0.027 0.000 1.010 320 S CA 1.212 59.398 58.200 -0.024 0.000 0.972 320 S CB -0.312 62.877 63.200 -0.020 0.000 0.774 320 S HN 0.441 nan 8.310 nan 0.000 0.501 321 R N 0.311 120.780 120.500 -0.052 0.000 2.161 321 R HA 0.256 4.596 4.340 -0.000 0.000 0.213 321 R C 2.085 178.332 176.300 -0.088 0.000 1.055 321 R CA 0.717 56.780 56.100 -0.061 0.000 0.996 321 R CB -0.170 30.084 30.300 -0.077 0.000 0.901 321 R HN 0.463 nan 8.270 nan 0.000 0.456 322 L N 0.068 121.214 121.223 -0.128 0.000 2.102 322 L HA -0.021 4.319 4.340 -0.000 0.000 0.202 322 L C 2.156 179.048 176.870 0.037 0.000 1.076 322 L CA 1.062 55.777 54.840 -0.208 0.000 0.761 322 L CB -0.426 41.449 42.059 -0.308 0.000 0.921 322 L HN 0.195 nan 8.230 nan 0.000 0.444 323 E N 0.845 121.073 120.200 0.047 0.000 2.070 323 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 323 E C 1.559 178.215 176.600 0.094 0.000 1.004 323 E CA 1.323 57.778 56.400 0.091 0.000 0.805 323 E CB -0.173 29.559 29.700 0.054 0.000 0.744 323 E HN 0.428 nan 8.360 nan 0.000 0.451 324 A N 0.030 122.884 122.820 0.058 0.000 2.426 324 A HA 0.350 4.670 4.320 -0.000 0.000 0.247 324 A C 1.037 178.666 177.584 0.075 0.000 1.389 324 A CA 0.742 52.811 52.037 0.053 0.000 1.129 324 A CB -0.288 18.728 19.000 0.027 0.000 0.928 324 A HN 0.242 nan 8.150 nan 0.000 0.557 325 A N -1.740 121.164 122.820 0.141 0.000 2.733 325 A HA 0.494 4.814 4.320 -0.000 0.000 0.232 325 A C 1.175 178.932 177.584 0.289 0.000 1.251 325 A CA 0.740 52.903 52.037 0.209 0.000 1.015 325 A CB -0.408 18.722 19.000 0.216 0.000 1.291 325 A HN 1.965 nan 8.150 nan 0.000 0.595 326 G N -0.422 108.512 108.800 0.222 0.000 2.370 326 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.268 326 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.268 326 G C -0.552 174.365 174.900 0.028 0.000 1.122 326 G CA 0.096 45.254 45.100 0.097 0.000 0.963 326 G HN 0.523 nan 8.290 nan 0.000 0.500 327 F N -0.208 119.748 119.950 0.011 0.000 2.518 327 F HA 0.532 5.059 4.527 -0.000 0.000 0.323 327 F C 0.987 176.802 175.800 0.025 0.000 1.129 327 F CA -1.042 56.966 58.000 0.013 0.000 0.920 327 F CB 1.656 40.659 39.000 0.005 0.000 1.160 327 F HN 0.050 nan 8.300 nan 0.000 0.440 328 R N 2.931 123.520 120.500 0.148 0.000 2.441 328 R HA 0.320 4.660 4.340 -0.000 0.000 0.300 328 R C -0.563 175.860 176.300 0.205 0.000 1.284 328 R CA -0.151 56.034 56.100 0.143 0.000 1.069 328 R CB 0.573 30.919 30.300 0.077 0.000 1.087 328 R HN 0.446 nan 8.270 nan 0.000 0.519 329 V N 2.597 122.625 119.914 0.189 0.000 2.881 329 V HA 0.439 4.559 4.120 -0.000 0.000 0.316 329 V C -1.111 175.029 176.094 0.077 0.000 1.070 329 V CA -0.679 61.690 62.300 0.115 0.000 0.976 329 V CB 1.944 33.801 31.823 0.057 0.000 1.038 329 V HN 0.766 nan 8.190 nan 0.000 0.446 330 H N 3.639 122.569 119.070 -0.233 0.000 2.996 330 H HA 0.697 5.253 4.556 -0.000 0.000 0.368 330 H C -1.771 173.362 175.328 -0.324 0.000 1.185 330 H CA -0.616 55.197 56.048 -0.391 0.000 1.160 330 H CB 1.841 31.033 29.762 -0.949 0.000 1.820 330 H HN 0.701 nan 8.280 nan 0.000 0.547 331 L N 3.616 124.300 121.223 -0.900 0.000 2.343 331 L HA 0.348 4.687 4.340 -0.000 0.000 0.278 331 L C -0.884 175.586 176.870 -0.666 0.000 0.996 331 L CA -0.499 53.992 54.840 -0.581 0.000 0.831 331 L CB 1.413 43.286 42.059 -0.309 0.000 1.232 331 L HN 0.722 nan 8.230 nan 0.000 0.413 332 D N 2.999 123.180 120.400 -0.364 0.000 2.470 332 D HA 0.025 4.665 4.640 -0.000 0.000 0.226 332 D C 0.451 176.740 176.300 -0.019 0.000 1.196 332 D CA 0.160 54.123 54.000 -0.061 0.000 0.979 332 D CB 0.737 41.699 40.800 0.270 0.000 1.059 332 D HN 0.632 nan 8.370 nan 0.000 0.515 333 D N 2.494 122.866 120.400 -0.046 0.000 2.097 333 D HA -0.072 4.568 4.640 -0.000 0.000 0.195 333 D C 0.540 176.848 176.300 0.014 0.000 0.989 333 D CA 0.654 54.641 54.000 -0.021 0.000 0.827 333 D CB 0.237 41.025 40.800 -0.021 0.000 0.966 333 D HN 0.418 nan 8.370 nan 0.000 0.456 334 R N 0.723 121.251 120.500 0.046 0.000 2.425 334 R HA -0.142 4.198 4.340 -0.000 0.000 0.287 334 R C 0.177 176.492 176.300 0.024 0.000 0.976 334 R CA 0.794 56.922 56.100 0.047 0.000 1.067 334 R CB 0.052 30.397 30.300 0.075 0.000 0.841 334 R HN 0.147 nan 8.270 nan 0.000 0.431 335 D N 2.313 122.721 120.400 0.014 0.000 2.479 335 D HA 0.356 4.996 4.640 -0.000 0.000 0.247 335 D C -0.629 175.668 176.300 -0.005 0.000 1.119 335 D CA -0.126 53.872 54.000 -0.002 0.000 0.922 335 D CB 0.040 40.838 40.800 -0.004 0.000 1.014 335 D HN 0.307 nan 8.370 nan 0.000 0.510 336 I N 0.177 120.742 120.570 -0.008 0.000 3.181 336 I HA 0.336 4.506 4.170 -0.000 0.000 0.311 336 I C 0.188 176.289 176.117 -0.025 0.000 1.287 336 I CA -1.245 60.047 61.300 -0.013 0.000 0.958 336 I CB 1.680 39.677 38.000 -0.005 0.000 1.294 336 I HN -0.159 nan 8.210 nan 0.000 0.467 337 R N 1.851 122.333 120.500 -0.030 0.000 2.507 337 R HA 0.151 4.490 4.340 -0.000 0.000 0.341 337 R C 1.136 177.409 176.300 -0.046 0.000 0.960 337 R CA 0.351 56.424 56.100 -0.045 0.000 1.032 337 R CB 0.177 30.453 30.300 -0.041 0.000 0.933 337 R HN 0.834 nan 8.270 nan 0.000 0.418 338 A N 3.982 126.762 122.820 -0.067 0.000 2.023 338 A HA -0.251 4.069 4.320 -0.000 0.000 0.223 338 A C 2.280 179.791 177.584 -0.122 0.000 1.180 338 A CA 2.133 54.151 52.037 -0.032 0.000 0.659 338 A CB -0.829 18.131 19.000 -0.066 0.000 0.817 338 A HN 0.898 nan 8.150 nan 0.000 0.466 339 G N -1.178 107.483 108.800 -0.232 0.000 2.432 339 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.219 339 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.219 339 G C 1.685 176.562 174.900 -0.039 0.000 1.135 339 G CA 1.054 45.975 45.100 -0.298 0.000 0.767 339 G HN 0.610 nan 8.290 nan 0.000 0.550 340 R N 0.416 120.921 120.500 0.009 0.000 2.073 340 R HA 0.033 4.373 4.340 -0.000 0.000 0.229 340 R C 2.515 178.893 176.300 0.130 0.000 1.120 340 R CA 1.187 57.324 56.100 0.062 0.000 0.967 340 R CB -0.196 30.104 30.300 -0.001 0.000 0.862 340 R HN 0.254 nan 8.270 nan 0.000 0.436 341 K N -0.486 120.001 120.400 0.144 0.000 2.074 341 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 341 K C 1.995 178.773 176.600 0.295 0.000 1.048 341 K CA 1.760 58.149 56.287 0.170 0.000 0.926 341 K CB -0.314 32.376 32.500 0.317 0.000 0.713 341 K HN 0.198 nan 8.250 nan 0.000 0.444 342 Y N -0.156 120.220 120.300 0.127 0.000 2.128 342 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 342 Y C 2.349 178.324 175.900 0.126 0.000 1.154 342 Y CA 1.117 59.306 58.100 0.148 0.000 1.149 342 Y CB -1.018 37.519 38.460 0.128 0.000 0.976 342 Y HN 0.146 nan 8.280 nan 0.000 0.505 343 Y N 0.863 121.269 120.300 0.176 0.000 2.089 343 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 343 Y C 2.281 178.180 175.900 -0.002 0.000 1.139 343 Y CA 2.044 60.189 58.100 0.074 0.000 1.123 343 Y CB -0.519 37.955 38.460 0.024 0.000 0.980 343 Y HN 0.173 nan 8.280 nan 0.000 0.493 344 E N -0.597 119.559 120.200 -0.073 0.000 2.013 344 E HA -0.312 4.038 4.350 -0.000 0.000 0.202 344 E C 2.035 178.427 176.600 -0.346 0.000 1.018 344 E CA 2.063 58.258 56.400 -0.342 0.000 0.834 344 E CB -0.818 28.546 29.700 -0.559 0.000 0.770 344 E HN 0.666 nan 8.360 nan 0.000 0.459 345 W N 1.019 122.312 121.300 -0.011 0.000 2.387 345 W HA -0.154 4.505 4.660 -0.000 0.000 0.272 345 W C 2.262 178.762 176.519 -0.031 0.000 1.224 345 W CA 0.293 57.630 57.345 -0.013 0.000 1.210 345 W CB 0.004 29.468 29.460 0.008 0.000 1.125 345 W HN 0.241 nan 8.180 nan 0.000 0.572 346 E N 0.623 120.886 120.200 0.105 0.000 2.122 346 E HA -0.176 4.173 4.350 -0.000 0.000 0.190 346 E C 2.139 178.714 176.600 -0.042 0.000 0.977 346 E CA 1.295 57.719 56.400 0.040 0.000 0.820 346 E CB -0.128 29.586 29.700 0.024 0.000 0.770 346 E HN 0.370 nan 8.360 nan 0.000 0.462 347 M N -0.868 118.601 119.600 -0.218 0.000 2.288 347 M HA 0.030 4.510 4.480 -0.000 0.000 0.266 347 M C 1.856 178.129 176.300 -0.046 0.000 1.072 347 M CA 1.237 56.403 55.300 -0.223 0.000 1.132 347 M CB 0.068 32.370 32.600 -0.496 0.000 1.386 347 M HN -0.186 nan 8.290 nan 0.000 0.432 348 R N 0.650 121.153 120.500 0.005 0.000 2.148 348 R HA 0.136 4.476 4.340 -0.000 0.000 0.223 348 R C 1.209 177.655 176.300 0.244 0.000 1.088 348 R CA 1.160 57.350 56.100 0.151 0.000 0.985 348 R CB -0.126 30.251 30.300 0.129 0.000 0.880 348 R HN 0.781 nan 8.270 nan 0.000 0.451 349 G N -0.187 108.728 108.800 0.191 0.000 2.205 349 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.180 349 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.180 349 G C 0.012 175.010 174.900 0.164 0.000 1.004 349 G CA -0.286 44.919 45.100 0.176 0.000 0.670 349 G HN 0.080 nan 8.290 nan 0.000 0.496 350 V N 1.711 121.741 119.914 0.193 0.000 2.540 350 V HA 0.148 4.268 4.120 -0.000 0.000 0.297 350 V C -0.033 176.118 176.094 0.095 0.000 1.024 350 V CA 0.149 62.537 62.300 0.147 0.000 1.105 350 V CB 1.061 32.965 31.823 0.135 0.000 0.938 350 V HN 0.147 nan 8.190 nan 0.000 0.482 351 P HA -0.014 nan 4.420 nan 0.000 0.213 351 P C -0.006 177.316 177.300 0.037 0.000 1.170 351 P CA 1.046 64.175 63.100 0.049 0.000 0.893 351 P CB 0.208 31.933 31.700 0.041 0.000 0.784 352 L N -1.093 120.149 121.223 0.032 0.000 2.341 352 L HA 0.505 4.845 4.340 -0.000 0.000 0.278 352 L C 0.264 177.123 176.870 -0.019 0.000 1.005 352 L CA -0.946 53.902 54.840 0.014 0.000 0.818 352 L CB 2.313 44.390 42.059 0.030 0.000 1.259 352 L HN -0.178 nan 8.230 nan 0.000 0.418 353 R N 2.456 122.929 120.500 -0.045 0.000 2.445 353 R HA 0.699 5.039 4.340 -0.000 0.000 0.308 353 R C -1.634 174.612 176.300 -0.090 0.000 0.961 353 R CA -0.505 55.540 56.100 -0.091 0.000 0.862 353 R CB 1.896 32.111 30.300 -0.142 0.000 1.144 353 R HN 0.457 nan 8.270 nan 0.000 0.447 354 V N 4.447 124.306 119.914 -0.092 0.000 2.378 354 V HA 0.289 4.409 4.120 -0.000 0.000 0.288 354 V C -0.583 175.474 176.094 -0.060 0.000 1.016 354 V CA -0.682 61.576 62.300 -0.070 0.000 0.840 354 V CB 1.585 33.366 31.823 -0.070 0.000 0.994 354 V HN 0.842 nan 8.190 nan 0.000 0.431 355 E N 4.928 125.108 120.200 -0.034 0.000 2.204 355 E HA 0.669 5.019 4.350 -0.000 0.000 0.276 355 E C -0.992 175.618 176.600 0.018 0.000 0.974 355 E CA -0.451 55.954 56.400 0.008 0.000 0.815 355 E CB 2.496 32.228 29.700 0.054 0.000 1.119 355 E HN 0.527 nan 8.360 nan 0.000 0.393 356 I N 1.961 122.546 120.570 0.024 0.000 2.499 356 I HA 0.504 4.674 4.170 -0.000 0.000 0.288 356 I C -0.001 176.139 176.117 0.038 0.000 1.048 356 I CA -0.553 60.759 61.300 0.021 0.000 1.062 356 I CB 2.018 40.017 38.000 -0.001 0.000 1.238 356 I HN 0.586 nan 8.210 nan 0.000 0.426 357 G N 5.268 114.097 108.800 0.048 0.000 2.658 357 G HA2 0.551 4.511 3.960 -0.000 0.000 0.292 357 G HA3 0.551 4.511 3.960 -0.000 0.000 0.292 357 G C -2.641 172.294 174.900 0.059 0.000 1.320 357 G CA -1.237 43.905 45.100 0.069 0.000 0.933 357 G HN 0.278 nan 8.290 nan 0.000 0.476 358 P HA -0.119 nan 4.420 nan 0.000 0.214 358 P C 1.969 179.295 177.300 0.043 0.000 1.163 358 P CA 1.133 64.267 63.100 0.056 0.000 0.889 358 P CB 0.182 31.924 31.700 0.070 0.000 0.790 359 R N -0.175 120.353 120.500 0.047 0.000 2.122 359 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 359 R C 2.041 178.358 176.300 0.029 0.000 1.129 359 R CA 2.044 58.165 56.100 0.035 0.000 0.925 359 R CB -1.271 29.051 30.300 0.038 0.000 0.850 359 R HN 0.283 nan 8.270 nan 0.000 0.431 360 D N 0.720 121.140 120.400 0.033 0.000 2.178 360 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 360 D C 1.937 178.248 176.300 0.018 0.000 0.980 360 D CA 0.765 54.779 54.000 0.025 0.000 0.842 360 D CB -0.201 40.616 40.800 0.028 0.000 0.948 360 D HN 0.061 nan 8.370 nan 0.000 0.472 361 L N 1.737 122.972 121.223 0.020 0.000 1.956 361 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 361 L C 2.044 178.920 176.870 0.010 0.000 1.073 361 L CA 1.878 56.726 54.840 0.013 0.000 0.762 361 L CB -0.700 41.369 42.059 0.017 0.000 0.889 361 L HN -0.058 nan 8.230 nan 0.000 0.433 362 E N -0.503 119.705 120.200 0.012 0.000 2.026 362 E HA -0.352 3.998 4.350 -0.000 0.000 0.206 362 E C 2.175 178.779 176.600 0.007 0.000 1.028 362 E CA 1.853 58.258 56.400 0.009 0.000 0.845 362 E CB -0.333 29.373 29.700 0.011 0.000 0.772 362 E HN 0.289 nan 8.360 nan 0.000 0.462 363 K N 0.169 120.574 120.400 0.008 0.000 2.144 363 K HA -0.185 4.134 4.320 -0.000 0.000 0.209 363 K C 0.755 177.357 176.600 0.004 0.000 1.047 363 K CA 1.679 57.970 56.287 0.007 0.000 0.927 363 K CB -0.437 32.068 32.500 0.009 0.000 0.716 363 K HN 0.376 nan 8.250 nan 0.000 0.454 364 G N -1.650 107.151 108.800 0.003 0.000 2.526 364 G HA2 0.186 4.146 3.960 -0.000 0.000 0.225 364 G HA3 0.186 4.146 3.960 -0.000 0.000 0.225 364 G C -0.156 174.742 174.900 -0.003 0.000 1.120 364 G CA 0.261 45.360 45.100 -0.002 0.000 0.904 364 G HN 0.741 nan 8.290 nan 0.000 0.498 365 A N -1.334 121.485 122.820 -0.002 0.000 2.536 365 A HA 1.204 5.524 4.320 -0.000 0.000 0.293 365 A C -0.111 177.473 177.584 -0.000 0.000 1.119 365 A CA 0.468 52.503 52.037 -0.003 0.000 0.654 365 A CB 0.686 19.687 19.000 0.001 0.000 1.291 365 A HN 2.345 nan 8.150 nan 0.000 0.439 366 A N -1.186 121.634 122.820 -0.001 0.000 2.529 366 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 366 A C -1.400 176.189 177.584 0.007 0.000 1.205 366 A CA -0.205 51.834 52.037 0.003 0.000 0.671 366 A CB 0.556 19.551 19.000 -0.008 0.000 1.301 366 A HN 1.719 nan 8.150 nan 0.000 0.450 367 V N 0.621 120.542 119.914 0.012 0.000 2.483 367 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 367 V C -0.628 175.466 176.094 0.000 0.000 1.035 367 V CA -0.171 62.139 62.300 0.016 0.000 0.896 367 V CB 1.227 33.072 31.823 0.036 0.000 0.986 367 V HN 0.580 nan 8.190 nan 0.000 0.447 368 I N 3.050 123.620 120.570 0.000 0.000 2.439 368 I HA 0.385 4.554 4.170 -0.000 0.000 0.285 368 I C -0.087 176.027 176.117 -0.006 0.000 1.021 368 I CA -0.172 61.122 61.300 -0.010 0.000 1.091 368 I CB 1.890 39.887 38.000 -0.004 0.000 1.242 368 I HN 0.583 nan 8.210 nan 0.000 0.439 369 S N 6.369 122.056 115.700 -0.023 0.000 2.462 369 S HA 0.539 5.009 4.470 -0.000 0.000 0.294 369 S C 0.143 174.740 174.600 -0.005 0.000 1.144 369 S CA -0.595 57.596 58.200 -0.014 0.000 1.088 369 S CB 0.892 64.065 63.200 -0.044 0.000 1.009 369 S HN 0.532 nan 8.310 nan 0.000 0.484 370 R N 1.381 121.889 120.500 0.013 0.000 2.571 370 R HA 0.422 4.762 4.340 -0.000 0.000 0.259 370 R C 0.841 177.157 176.300 0.028 0.000 1.226 370 R CA -0.597 55.516 56.100 0.021 0.000 1.157 370 R CB 0.250 30.566 30.300 0.026 0.000 1.220 370 R HN 0.586 nan 8.270 nan 0.000 0.605 371 R N 0.040 120.561 120.500 0.034 0.000 2.350 371 R HA -0.024 4.316 4.340 -0.000 0.000 0.199 371 R C 1.109 177.439 176.300 0.049 0.000 0.876 371 R CA 1.088 57.216 56.100 0.046 0.000 1.062 371 R CB -0.074 30.258 30.300 0.053 0.000 1.263 371 R HN 0.755 nan 8.270 nan 0.000 0.641 372 D N -0.953 119.470 120.400 0.039 0.000 2.183 372 D HA -0.053 4.587 4.640 -0.000 0.000 0.203 372 D C 0.648 176.973 176.300 0.042 0.000 0.969 372 D CA 1.496 55.520 54.000 0.038 0.000 0.842 372 D CB -0.098 40.716 40.800 0.023 0.000 0.957 372 D HN 0.186 nan 8.370 nan 0.000 0.484 373 T N -1.498 113.079 114.554 0.039 0.000 3.587 373 T HA 0.497 4.847 4.350 -0.000 0.000 0.221 373 T C 1.558 176.285 174.700 0.045 0.000 0.921 373 T CA 0.855 62.978 62.100 0.039 0.000 1.426 373 T CB 0.425 69.313 68.868 0.033 0.000 1.340 373 T HN 0.399 nan 8.240 nan 0.000 0.423 374 G N 0.587 109.413 108.800 0.043 0.000 3.509 374 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.220 374 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.220 374 G C -0.096 174.831 174.900 0.046 0.000 0.951 374 G CA -0.186 44.944 45.100 0.050 0.000 0.844 374 G HN 0.446 nan 8.290 nan 0.000 0.568 375 E N 2.089 122.312 120.200 0.038 0.000 2.585 375 E HA 0.313 4.663 4.350 -0.000 0.000 0.252 375 E C 0.064 176.683 176.600 0.032 0.000 0.981 375 E CA 0.580 57.001 56.400 0.035 0.000 0.943 375 E CB 0.167 29.884 29.700 0.029 0.000 0.923 375 E HN 0.380 nan 8.360 nan 0.000 0.486 376 K N 4.788 125.209 120.400 0.035 0.000 2.404 376 K HA 0.270 4.590 4.320 -0.000 0.000 0.257 376 K C -0.204 176.414 176.600 0.029 0.000 1.026 376 K CA -0.777 55.529 56.287 0.032 0.000 0.951 376 K CB 0.995 33.522 32.500 0.045 0.000 1.203 376 K HN 0.437 nan 8.250 nan 0.000 0.446 377 V N -0.334 119.593 119.914 0.022 0.000 3.610 377 V HA 0.504 4.624 4.120 -0.000 0.000 0.285 377 V C 0.050 176.155 176.094 0.019 0.000 1.012 377 V CA -0.364 61.948 62.300 0.020 0.000 0.975 377 V CB 1.361 33.194 31.823 0.017 0.000 1.247 377 V HN 0.590 nan 8.190 nan 0.000 0.424 378 T N 1.240 115.804 114.554 0.016 0.000 2.985 378 T HA 0.780 5.130 4.350 -0.000 0.000 0.315 378 T C -0.306 174.399 174.700 0.010 0.000 1.001 378 T CA 0.274 62.383 62.100 0.014 0.000 1.016 378 T CB 0.787 69.666 68.868 0.018 0.000 0.993 378 T HN 1.279 nan 8.240 nan 0.000 0.454 379 A N 2.439 125.262 122.820 0.005 0.000 2.322 379 A HA 0.771 5.091 4.320 -0.000 0.000 0.327 379 A C -0.594 176.988 177.584 -0.003 0.000 1.134 379 A CA -0.892 51.145 52.037 0.001 0.000 0.831 379 A CB 0.805 19.805 19.000 -0.001 0.000 1.288 379 A HN 0.676 nan 8.150 nan 0.000 0.472 380 D N 1.462 121.859 120.400 -0.004 0.000 2.312 380 D HA 0.201 4.841 4.640 -0.000 0.000 0.252 380 D C 0.996 177.287 176.300 -0.015 0.000 1.150 380 D CA -0.075 53.920 54.000 -0.007 0.000 0.870 380 D CB 1.391 42.188 40.800 -0.004 0.000 1.153 380 D HN 0.460 nan 8.370 nan 0.000 0.457 381 L N 1.778 122.990 121.223 -0.018 0.000 2.556 381 L HA -0.238 4.102 4.340 -0.000 0.000 0.230 381 L C 2.380 179.231 176.870 -0.030 0.000 1.163 381 L CA 0.984 55.807 54.840 -0.028 0.000 0.819 381 L CB -0.338 41.705 42.059 -0.027 0.000 0.939 381 L HN 0.494 nan 8.230 nan 0.000 0.452 382 Q N 0.470 120.258 119.800 -0.021 0.000 1.922 382 Q HA -0.072 4.268 4.340 -0.000 0.000 0.201 382 Q C 1.570 177.557 176.000 -0.022 0.000 0.979 382 Q CA 1.356 57.148 55.803 -0.019 0.000 0.841 382 Q CB -0.158 28.573 28.738 -0.011 0.000 0.903 382 Q HN 0.414 nan 8.270 nan 0.000 0.431 383 G N 0.959 109.750 108.800 -0.015 0.000 3.709 383 G HA2 0.133 4.093 3.960 -0.000 0.000 0.272 383 G HA3 0.133 4.093 3.960 -0.000 0.000 0.272 383 G C 0.662 175.552 174.900 -0.017 0.000 1.259 383 G CA -0.308 44.785 45.100 -0.012 0.000 1.512 383 G HN 0.474 nan 8.290 nan 0.000 0.625 384 I N -0.729 119.820 120.570 -0.035 0.000 2.546 384 I HA -0.055 4.115 4.170 -0.000 0.000 0.255 384 I C 2.303 178.382 176.117 -0.064 0.000 1.163 384 I CA 0.841 62.111 61.300 -0.049 0.000 1.457 384 I CB 0.219 38.176 38.000 -0.071 0.000 1.092 384 I HN 0.332 nan 8.210 nan 0.000 0.434 385 E N 0.607 120.760 120.200 -0.078 0.000 2.058 385 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 385 E C 1.868 178.496 176.600 0.048 0.000 0.997 385 E CA 1.280 57.630 56.400 -0.084 0.000 0.801 385 E CB -0.119 29.549 29.700 -0.053 0.000 0.746 385 E HN 0.514 nan 8.360 nan 0.000 0.450 386 E N 0.228 120.454 120.200 0.043 0.000 2.158 386 E HA -0.065 4.284 4.350 -0.000 0.000 0.191 386 E C 2.195 178.831 176.600 0.059 0.000 0.982 386 E CA 0.846 57.285 56.400 0.064 0.000 0.823 386 E CB -0.415 29.309 29.700 0.041 0.000 0.766 386 E HN 0.181 nan 8.360 nan 0.000 0.468 387 T N 2.009 116.585 114.554 0.037 0.000 2.788 387 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 387 T C 2.072 176.802 174.700 0.051 0.000 1.044 387 T CA 0.758 62.878 62.100 0.032 0.000 1.139 387 T CB -0.156 68.721 68.868 0.014 0.000 0.867 387 T HN 0.079 nan 8.240 nan 0.000 0.454 388 L N 0.237 121.502 121.223 0.070 0.000 2.056 388 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 388 L C 2.948 179.917 176.870 0.164 0.000 1.078 388 L CA 1.287 56.199 54.840 0.120 0.000 0.749 388 L CB -0.460 41.685 42.059 0.143 0.000 0.901 388 L HN 0.140 nan 8.230 nan 0.000 0.433 389 R N -0.153 120.464 120.500 0.194 0.000 2.091 389 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 389 R C 2.228 178.567 176.300 0.066 0.000 1.136 389 R CA 1.207 57.385 56.100 0.128 0.000 0.959 389 R CB -0.263 30.110 30.300 0.121 0.000 0.856 389 R HN 0.389 nan 8.270 nan 0.000 0.437 390 E N 0.967 121.203 120.200 0.060 0.000 2.031 390 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 390 E C 2.212 178.833 176.600 0.035 0.000 0.994 390 E CA 0.952 57.375 56.400 0.038 0.000 0.800 390 E CB -0.368 29.352 29.700 0.033 0.000 0.752 390 E HN 0.313 nan 8.360 nan 0.000 0.447 391 L N 0.386 121.634 121.223 0.041 0.000 2.081 391 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 391 L C 2.681 179.570 176.870 0.032 0.000 1.080 391 L CA 1.071 55.933 54.840 0.036 0.000 0.754 391 L CB -0.332 41.751 42.059 0.039 0.000 0.893 391 L HN 0.168 nan 8.230 nan 0.000 0.433 392 M N -0.817 118.806 119.600 0.038 0.000 2.077 392 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 392 M C 2.305 178.611 176.300 0.010 0.000 1.070 392 M CA 1.776 57.090 55.300 0.023 0.000 1.125 392 M CB -0.434 32.175 32.600 0.015 0.000 1.339 392 M HN 0.116 nan 8.290 nan 0.000 0.409 393 K N 0.282 120.689 120.400 0.011 0.000 2.044 393 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 393 K C 1.798 178.404 176.600 0.010 0.000 1.049 393 K CA 1.765 58.057 56.287 0.008 0.000 0.927 393 K CB -0.426 32.080 32.500 0.010 0.000 0.713 393 K HN 0.355 nan 8.250 nan 0.000 0.443 394 D N 1.289 121.697 120.400 0.014 0.000 2.108 394 D HA -0.196 4.444 4.640 -0.000 0.000 0.190 394 D C 1.899 178.206 176.300 0.011 0.000 0.995 394 D CA 1.472 55.480 54.000 0.014 0.000 0.834 394 D CB -0.126 40.684 40.800 0.016 0.000 0.967 394 D HN 0.143 nan 8.370 nan 0.000 0.446 395 I N 0.500 121.075 120.570 0.009 0.000 2.181 395 I HA -0.304 3.866 4.170 -0.000 0.000 0.247 395 I C 2.673 178.782 176.117 -0.014 0.000 1.081 395 I CA 0.701 62.002 61.300 0.000 0.000 1.340 395 I CB -0.369 37.630 38.000 -0.000 0.000 1.036 395 I HN 0.147 nan 8.210 nan 0.000 0.417 396 L N 0.925 122.140 121.223 -0.012 0.000 1.973 396 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 396 L C 2.432 179.310 176.870 0.012 0.000 1.073 396 L CA 1.891 56.721 54.840 -0.016 0.000 0.746 396 L CB -0.613 41.445 42.059 -0.001 0.000 0.891 396 L HN 0.128 nan 8.230 nan 0.000 0.433 397 E N -0.429 119.784 120.200 0.022 0.000 2.086 397 E HA -0.322 4.028 4.350 -0.000 0.000 0.200 397 E C 2.018 178.643 176.600 0.040 0.000 1.012 397 E CA 1.612 58.031 56.400 0.033 0.000 0.812 397 E CB -0.324 29.387 29.700 0.019 0.000 0.743 397 E HN 0.527 nan 8.360 nan 0.000 0.453 398 N N 0.928 119.646 118.700 0.029 0.000 2.043 398 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 398 N C 1.790 177.332 175.510 0.053 0.000 1.037 398 N CA 1.250 54.321 53.050 0.035 0.000 0.851 398 N CB -0.349 38.153 38.487 0.024 0.000 1.027 398 N HN 0.130 nan 8.380 nan 0.000 0.422 399 L N 0.309 121.550 121.223 0.030 0.000 2.127 399 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 399 L C 2.736 179.697 176.870 0.151 0.000 1.089 399 L CA 1.055 55.918 54.840 0.038 0.000 0.757 399 L CB -0.330 41.635 42.059 -0.157 0.000 0.899 399 L HN 0.289 nan 8.230 nan 0.000 0.434 400 R N -0.478 120.114 120.500 0.153 0.000 2.062 400 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 400 R C 2.229 178.732 176.300 0.338 0.000 1.136 400 R CA 2.044 58.307 56.100 0.273 0.000 0.948 400 R CB -0.340 30.102 30.300 0.237 0.000 0.845 400 R HN 0.187 nan 8.270 nan 0.000 0.430 401 T N 1.500 116.176 114.554 0.203 0.000 2.555 401 T HA -0.189 4.161 4.350 -0.000 0.000 0.264 401 T C 1.786 176.597 174.700 0.186 0.000 1.083 401 T CA 1.700 63.898 62.100 0.163 0.000 1.179 401 T CB -0.315 68.595 68.868 0.070 0.000 0.863 401 T HN 0.311 nan 8.240 nan 0.000 0.412 402 R N 1.436 122.011 120.500 0.126 0.000 2.159 402 R HA -0.213 4.127 4.340 -0.000 0.000 0.252 402 R C 2.685 179.041 176.300 0.094 0.000 1.144 402 R CA 1.752 57.908 56.100 0.093 0.000 0.961 402 R CB -1.345 29.003 30.300 0.080 0.000 0.877 402 R HN 0.511 nan 8.270 nan 0.000 0.444 403 A N 0.463 123.357 122.820 0.124 0.000 1.892 403 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 403 A C 2.020 179.576 177.584 -0.047 0.000 1.188 403 A CA 1.597 53.642 52.037 0.014 0.000 0.631 403 A CB -0.912 18.097 19.000 0.015 0.000 0.822 403 A HN 0.471 nan 8.150 nan 0.000 0.447 404 W N 0.091 121.361 121.300 -0.050 0.000 2.418 404 W HA 0.019 4.679 4.660 -0.000 0.000 0.292 404 W C 2.327 178.806 176.519 -0.067 0.000 1.213 404 W CA 1.045 58.344 57.345 -0.077 0.000 1.283 404 W CB -0.274 29.137 29.460 -0.082 0.000 1.119 404 W HN 0.457 nan 8.180 nan 0.000 0.542 405 E N 0.365 120.671 120.200 0.176 0.000 2.038 405 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 405 E C 2.066 178.684 176.600 0.031 0.000 1.000 405 E CA 1.357 57.808 56.400 0.086 0.000 0.803 405 E CB -0.489 29.247 29.700 0.060 0.000 0.750 405 E HN 0.302 nan 8.360 nan 0.000 0.448 406 R N 0.044 120.543 120.500 -0.002 0.000 2.152 406 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 406 R C 2.261 178.516 176.300 -0.075 0.000 1.117 406 R CA 1.071 57.142 56.100 -0.048 0.000 0.981 406 R CB -0.171 30.082 30.300 -0.079 0.000 0.870 406 R HN 0.273 nan 8.270 nan 0.000 0.451 407 M N 0.497 120.044 119.600 -0.088 0.000 2.257 407 M HA -0.082 4.398 4.480 -0.000 0.000 0.260 407 M C 1.595 177.860 176.300 -0.057 0.000 1.102 407 M CA 1.456 56.683 55.300 -0.120 0.000 1.169 407 M CB 0.166 32.630 32.600 -0.226 0.000 1.323 407 M HN -0.001 nan 8.290 nan 0.000 0.447 408 E N 0.344 120.542 120.200 -0.003 0.000 2.169 408 E HA -0.241 4.109 4.350 -0.000 0.000 0.202 408 E C 1.683 178.293 176.600 0.017 0.000 1.016 408 E CA 1.814 58.234 56.400 0.032 0.000 0.817 408 E CB -0.374 29.372 29.700 0.078 0.000 0.736 408 E HN 0.617 nan 8.360 nan 0.000 0.462 409 S N 0.423 116.125 115.700 0.004 0.000 2.603 409 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 409 S C 1.202 175.795 174.600 -0.011 0.000 0.972 409 S CA 0.517 58.716 58.200 -0.002 0.000 0.935 409 S CB 0.170 63.366 63.200 -0.007 0.000 0.769 409 S HN 0.103 nan 8.310 nan 0.000 0.536 410 E N 0.761 120.950 120.200 -0.018 0.000 2.548 410 E HA 0.354 4.704 4.350 -0.000 0.000 0.206 410 E C -0.319 176.280 176.600 -0.000 0.000 1.005 410 E CA -0.084 56.303 56.400 -0.022 0.000 0.951 410 E CB 0.369 30.040 29.700 -0.049 0.000 1.035 410 E HN 0.646 nan 8.360 nan 0.000 0.470 411 I N 2.258 122.840 120.570 0.020 0.000 2.347 411 I HA 0.242 4.412 4.170 -0.000 0.000 0.283 411 I C 0.186 176.328 176.117 0.043 0.000 1.058 411 I CA -0.301 61.032 61.300 0.055 0.000 1.202 411 I CB 0.459 38.514 38.000 0.091 0.000 1.386 411 I HN -0.344 nan 8.210 nan 0.000 0.475 412 R N 4.728 125.249 120.500 0.034 0.000 2.604 412 R HA 0.539 4.879 4.340 -0.000 0.000 0.287 412 R C -0.481 175.831 176.300 0.021 0.000 0.970 412 R CA -0.833 55.279 56.100 0.021 0.000 0.946 412 R CB 1.907 32.214 30.300 0.013 0.000 1.127 412 R HN 0.492 nan 8.270 nan 0.000 0.473 413 E N 0.610 120.818 120.200 0.014 0.000 2.283 413 E HA 0.585 4.935 4.350 -0.000 0.000 0.267 413 E C -0.851 175.765 176.600 0.027 0.000 1.045 413 E CA -0.761 55.649 56.400 0.017 0.000 0.884 413 E CB 1.738 31.443 29.700 0.008 0.000 1.106 413 E HN 0.583 nan 8.360 nan 0.000 0.408 414 A N 1.384 124.233 122.820 0.047 0.000 2.549 414 A HA 0.370 4.690 4.320 -0.000 0.000 0.297 414 A C -0.384 177.226 177.584 0.043 0.000 1.061 414 A CA -0.612 51.443 52.037 0.030 0.000 0.690 414 A CB 1.305 20.310 19.000 0.008 0.000 1.287 414 A HN 0.728 nan 8.150 nan 0.000 0.402 415 E N -0.065 120.146 120.200 0.019 0.000 2.541 415 E HA 0.125 4.475 4.350 -0.000 0.000 0.219 415 E C -0.166 176.435 176.600 0.002 0.000 0.922 415 E CA 0.738 57.152 56.400 0.024 0.000 1.095 415 E CB 1.096 30.809 29.700 0.023 0.000 1.112 415 E HN 0.764 nan 8.360 nan 0.000 0.516 416 T N -1.574 112.968 114.554 -0.020 0.000 2.881 416 T HA 0.289 4.639 4.350 -0.000 0.000 0.290 416 T C 0.656 175.319 174.700 -0.062 0.000 1.000 416 T CA -0.697 61.383 62.100 -0.033 0.000 0.978 416 T CB 1.902 70.756 68.868 -0.022 0.000 0.997 416 T HN -0.179 nan 8.240 nan 0.000 0.443 417 L N 1.971 123.145 121.223 -0.082 0.000 2.103 417 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 417 L C 2.526 179.346 176.870 -0.083 0.000 1.080 417 L CA 1.917 56.691 54.840 -0.110 0.000 0.764 417 L CB -0.661 41.337 42.059 -0.102 0.000 0.890 417 L HN 0.829 nan 8.230 nan 0.000 0.435 418 E N -1.405 118.760 120.200 -0.057 0.000 2.274 418 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 418 E C 1.912 178.487 176.600 -0.040 0.000 0.996 418 E CA 0.772 57.145 56.400 -0.045 0.000 0.840 418 E CB -0.010 29.670 29.700 -0.033 0.000 0.772 418 E HN 0.587 nan 8.360 nan 0.000 0.491 419 E N 0.878 121.054 120.200 -0.041 0.000 2.216 419 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 419 E C 1.878 178.456 176.600 -0.037 0.000 0.988 419 E CA 0.660 57.041 56.400 -0.031 0.000 0.834 419 E CB 0.094 29.780 29.700 -0.023 0.000 0.772 419 E HN 0.196 nan 8.360 nan 0.000 0.479 420 A N 0.831 123.617 122.820 -0.057 0.000 1.821 420 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 420 A C 2.374 179.928 177.584 -0.051 0.000 1.214 420 A CA 1.698 53.697 52.037 -0.063 0.000 0.608 420 A CB -0.987 17.944 19.000 -0.115 0.000 0.862 420 A HN 0.299 nan 8.150 nan 0.000 0.448 421 S N -0.424 115.241 115.700 -0.058 0.000 2.393 421 S HA -0.312 4.158 4.470 -0.000 0.000 0.234 421 S C 2.120 176.699 174.600 -0.035 0.000 1.064 421 S CA 1.788 59.961 58.200 -0.046 0.000 1.088 421 S CB -0.542 62.631 63.200 -0.045 0.000 0.939 421 S HN 0.541 nan 8.310 nan 0.000 0.448 422 R N 0.678 121.159 120.500 -0.031 0.000 2.097 422 R HA -0.129 4.211 4.340 -0.000 0.000 0.236 422 R C 2.285 178.571 176.300 -0.022 0.000 1.135 422 R CA 1.968 58.053 56.100 -0.024 0.000 0.934 422 R CB -0.601 29.686 30.300 -0.021 0.000 0.846 422 R HN 0.473 nan 8.270 nan 0.000 0.431 423 I N 0.392 120.949 120.570 -0.022 0.000 2.252 423 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 423 I C 2.406 178.510 176.117 -0.021 0.000 1.102 423 I CA 0.908 62.197 61.300 -0.018 0.000 1.385 423 I CB -0.368 37.624 38.000 -0.013 0.000 1.064 423 I HN -0.004 nan 8.210 nan 0.000 0.414 424 V N 1.034 120.934 119.914 -0.024 0.000 2.255 424 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 424 V C 2.024 178.100 176.094 -0.029 0.000 1.051 424 V CA 2.126 64.411 62.300 -0.026 0.000 1.018 424 V CB -0.796 31.009 31.823 -0.030 0.000 0.641 424 V HN 0.424 nan 8.190 nan 0.000 0.445 425 D N -0.580 119.803 120.400 -0.028 0.000 2.264 425 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 425 D C 2.097 178.383 176.300 -0.024 0.000 0.966 425 D CA 1.129 55.114 54.000 -0.026 0.000 0.864 425 D CB 0.139 40.925 40.800 -0.024 0.000 0.933 425 D HN 0.615 nan 8.370 nan 0.000 0.499 426 E N -0.022 120.165 120.200 -0.023 0.000 2.206 426 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 426 E C 1.078 177.664 176.600 -0.023 0.000 0.935 426 E CA 0.251 56.639 56.400 -0.020 0.000 0.875 426 E CB 0.542 30.231 29.700 -0.017 0.000 0.841 426 E HN 0.013 nan 8.360 nan 0.000 0.477 427 K N 0.752 121.137 120.400 -0.024 0.000 2.478 427 K HA 0.235 4.555 4.320 -0.000 0.000 0.205 427 K C 0.065 176.644 176.600 -0.035 0.000 1.033 427 K CA -0.197 56.074 56.287 -0.027 0.000 1.091 427 K CB 0.883 33.369 32.500 -0.022 0.000 0.844 427 K HN 0.012 nan 8.250 nan 0.000 0.507 428 R N 0.140 120.617 120.500 -0.038 0.000 3.559 428 R HA -0.317 4.022 4.340 -0.000 0.000 0.569 428 R C 0.918 177.192 176.300 -0.043 0.000 0.241 428 R CA 1.527 57.599 56.100 -0.048 0.000 1.762 428 R CB -1.910 28.352 30.300 -0.064 0.000 0.881 428 R HN 0.525 nan 8.270 nan 0.000 0.615 429 G N 0.199 108.965 108.800 -0.056 0.000 2.645 429 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.246 429 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.246 429 G C -0.414 174.474 174.900 -0.020 0.000 1.322 429 G CA -0.049 45.024 45.100 -0.046 0.000 0.898 429 G HN 0.503 nan 8.290 nan 0.000 0.573 430 I N 0.424 120.998 120.570 0.006 0.000 2.460 430 I HA 0.563 4.733 4.170 -0.000 0.000 0.298 430 I C 0.568 176.735 176.117 0.083 0.000 0.989 430 I CA -0.587 60.748 61.300 0.059 0.000 1.173 430 I CB 1.405 39.458 38.000 0.088 0.000 1.338 430 I HN 0.466 nan 8.210 nan 0.000 0.456 431 I N 3.449 124.088 120.570 0.116 0.000 2.410 431 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 431 I C 0.242 176.418 176.117 0.099 0.000 1.009 431 I CA -0.290 61.071 61.300 0.102 0.000 1.111 431 I CB 1.980 40.034 38.000 0.091 0.000 1.262 431 I HN 0.500 nan 8.210 nan 0.000 0.443 432 S N 6.484 122.176 115.700 -0.012 0.000 2.586 432 S HA 0.794 5.264 4.470 -0.000 0.000 0.274 432 S C -0.698 173.892 174.600 -0.017 0.000 1.281 432 S CA -0.215 57.832 58.200 -0.256 0.000 1.035 432 S CB 0.563 63.606 63.200 -0.262 0.000 0.962 432 S HN 0.440 nan 8.310 nan 0.000 0.512 433 F N 1.215 121.018 119.950 -0.246 0.000 2.842 433 F HA 0.583 5.110 4.527 -0.000 0.000 0.319 433 F C -1.642 174.135 175.800 -0.038 0.000 1.159 433 F CA -1.405 56.533 58.000 -0.104 0.000 0.902 433 F CB 0.764 39.725 39.000 -0.065 0.000 1.311 433 F HN 0.276 nan 8.300 nan 0.000 0.453 434 M N 1.816 121.601 119.600 0.308 0.000 2.423 434 M HA 0.372 4.852 4.480 -0.000 0.000 0.335 434 M C -1.492 175.133 176.300 0.542 0.000 1.177 434 M CA -0.190 55.252 55.300 0.236 0.000 1.038 434 M CB 1.360 34.060 32.600 0.165 0.000 1.641 434 M HN 0.899 nan 8.290 nan 0.000 0.455 435 W N 2.906 124.333 121.300 0.212 0.000 3.138 435 W HA 0.433 5.093 4.660 -0.000 0.000 0.331 435 W C 0.621 177.308 176.519 0.279 0.000 1.166 435 W CA -1.176 56.360 57.345 0.319 0.000 1.212 435 W CB 1.151 30.855 29.460 0.407 0.000 1.399 435 W HN 0.938 nan 8.180 nan 0.000 0.514 436 C N 2.376 121.683 119.300 0.012 0.000 2.429 436 C HA 0.320 4.780 4.460 -0.000 0.000 0.277 436 C C 2.010 176.699 174.990 -0.503 0.000 1.262 436 C CA 1.843 60.761 59.018 -0.166 0.000 1.733 436 C CB -1.168 26.562 27.740 -0.017 0.000 2.010 436 C HN 1.711 nan 8.230 nan 0.000 0.483 437 G N -0.337 107.528 108.800 -1.557 0.000 2.201 437 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.212 437 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.212 437 G C -0.188 174.334 174.900 -0.630 0.000 0.994 437 G CA 0.223 44.306 45.100 -1.695 0.000 0.644 437 G HN 0.637 nan 8.290 nan 0.000 0.508 438 E N 0.795 120.889 120.200 -0.177 0.000 2.392 438 E HA 0.279 4.629 4.350 -0.000 0.000 0.259 438 E C 1.293 178.095 176.600 0.338 0.000 1.108 438 E CA -0.099 56.354 56.400 0.089 0.000 0.916 438 E CB 0.731 30.487 29.700 0.095 0.000 0.989 438 E HN 0.551 nan 8.360 nan 0.000 0.432 439 E N 1.673 122.052 120.200 0.299 0.000 2.001 439 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 439 E C 1.610 178.308 176.600 0.164 0.000 1.002 439 E CA 1.131 57.734 56.400 0.339 0.000 0.819 439 E CB 0.040 29.870 29.700 0.217 0.000 0.769 439 E HN 0.476 nan 8.360 nan 0.000 0.454 440 E N 0.376 120.625 120.200 0.082 0.000 2.082 440 E HA -0.333 4.017 4.350 -0.000 0.000 0.215 440 E C 2.294 178.934 176.600 0.067 0.000 1.048 440 E CA 1.595 58.009 56.400 0.023 0.000 0.869 440 E CB -0.582 29.137 29.700 0.033 0.000 0.773 440 E HN 0.314 nan 8.360 nan 0.000 0.466 441 C N 0.678 120.078 119.300 0.167 0.000 2.375 441 C HA -0.208 4.252 4.460 -0.000 0.000 0.274 441 C C 2.863 177.991 174.990 0.230 0.000 1.190 441 C CA 1.716 60.868 59.018 0.223 0.000 1.775 441 C CB -1.512 26.432 27.740 0.341 0.000 2.067 441 C HN 0.643 nan 8.230 nan 0.000 0.463 442 G N -0.382 108.661 108.800 0.404 0.000 2.421 442 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 442 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 442 G C 1.641 176.502 174.900 -0.066 0.000 1.171 442 G CA 1.093 46.306 45.100 0.187 0.000 0.775 442 G HN 0.602 nan 8.290 nan 0.000 0.543 443 M N 0.841 120.283 119.600 -0.264 0.000 2.296 443 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 443 M C 1.739 177.922 176.300 -0.196 0.000 1.064 443 M CA 1.109 56.170 55.300 -0.399 0.000 1.109 443 M CB -0.185 32.091 32.600 -0.540 0.000 1.396 443 M HN 0.158 nan 8.290 nan 0.000 0.430 444 D N -0.119 120.210 120.400 -0.118 0.000 2.224 444 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 444 D C 2.085 178.332 176.300 -0.087 0.000 0.965 444 D CA 1.037 54.986 54.000 -0.084 0.000 0.852 444 D CB -0.157 40.616 40.800 -0.046 0.000 0.947 444 D HN 0.226 nan 8.370 nan 0.000 0.494 445 V N 1.815 121.667 119.914 -0.104 0.000 2.295 445 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 445 V C 2.380 178.401 176.094 -0.122 0.000 1.049 445 V CA 1.597 63.809 62.300 -0.146 0.000 1.024 445 V CB -0.517 31.163 31.823 -0.237 0.000 0.648 445 V HN 0.158 nan 8.190 nan 0.000 0.447 446 E N 0.057 120.198 120.200 -0.097 0.000 2.038 446 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 446 E C 2.285 178.849 176.600 -0.060 0.000 1.000 446 E CA 1.675 58.039 56.400 -0.060 0.000 0.803 446 E CB -0.212 29.471 29.700 -0.028 0.000 0.750 446 E HN 0.683 nan 8.360 nan 0.000 0.448 447 E N 0.894 121.050 120.200 -0.072 0.000 2.153 447 E HA -0.198 4.151 4.350 -0.000 0.000 0.194 447 E C 1.798 178.366 176.600 -0.053 0.000 0.988 447 E CA 1.038 57.402 56.400 -0.060 0.000 0.811 447 E CB 0.184 29.844 29.700 -0.067 0.000 0.746 447 E HN 0.116 nan 8.360 nan 0.000 0.466 448 K N -0.457 119.907 120.400 -0.061 0.000 2.098 448 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 448 K C 1.891 178.457 176.600 -0.058 0.000 1.051 448 K CA 1.012 57.265 56.287 -0.057 0.000 0.957 448 K CB 0.405 32.867 32.500 -0.063 0.000 0.738 448 K HN 0.027 nan 8.250 nan 0.000 0.447 449 V N 0.633 120.506 119.914 -0.069 0.000 3.506 449 V HA 0.057 4.177 4.120 -0.000 0.000 0.263 449 V C 0.106 176.170 176.094 -0.049 0.000 1.203 449 V CA 0.016 62.276 62.300 -0.067 0.000 1.133 449 V CB -0.754 31.014 31.823 -0.092 0.000 0.802 449 V HN 0.342 nan 8.190 nan 0.000 0.459 450 R N -0.221 120.254 120.500 -0.042 0.000 3.084 450 R HA -0.122 4.218 4.340 -0.000 0.000 0.258 450 R C -0.879 175.408 176.300 -0.023 0.000 0.914 450 R CA 0.199 56.282 56.100 -0.028 0.000 0.646 450 R CB -1.365 28.921 30.300 -0.024 0.000 1.330 450 R HN 0.347 nan 8.270 nan 0.000 0.465 451 V N -0.426 119.477 119.914 -0.018 0.000 3.226 451 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 451 V C -0.639 175.468 176.094 0.021 0.000 1.336 451 V CA -0.849 61.448 62.300 -0.006 0.000 1.066 451 V CB 2.595 34.408 31.823 -0.017 0.000 1.087 451 V HN 0.246 nan 8.190 nan 0.000 0.451 452 D N 0.777 121.200 120.400 0.039 0.000 2.481 452 D HA 0.529 5.169 4.640 -0.000 0.000 0.244 452 D C -1.028 175.316 176.300 0.074 0.000 1.057 452 D CA -0.308 53.739 54.000 0.078 0.000 0.848 452 D CB 2.258 43.103 40.800 0.075 0.000 1.388 452 D HN 0.377 nan 8.370 nan 0.000 0.475 453 I N 4.659 125.284 120.570 0.091 0.000 2.322 453 I HA 0.049 4.218 4.170 -0.000 0.000 0.292 453 I C 1.876 177.982 176.117 -0.019 0.000 1.060 453 I CA -0.378 60.943 61.300 0.034 0.000 1.309 453 I CB 1.080 39.050 38.000 -0.051 0.000 1.415 453 I HN 0.334 nan 8.210 nan 0.000 0.492 454 L N 6.156 127.390 121.223 0.018 0.000 1.955 454 L HA 0.002 4.341 4.340 -0.000 0.000 0.213 454 L C 1.134 177.976 176.870 -0.047 0.000 1.072 454 L CA 1.023 55.857 54.840 -0.010 0.000 0.755 454 L CB -0.640 41.421 42.059 0.002 0.000 0.888 454 L HN 0.797 nan 8.230 nan 0.000 0.432 455 G N -1.324 107.468 108.800 -0.014 0.000 2.325 455 G HA2 0.334 4.294 3.960 -0.000 0.000 0.297 455 G HA3 0.334 4.294 3.960 -0.000 0.000 0.297 455 G C -1.184 173.753 174.900 0.062 0.000 1.448 455 G CA -0.382 44.707 45.100 -0.018 0.000 0.838 455 G HN 0.186 nan 8.290 nan 0.000 0.579 456 I N -2.387 118.213 120.570 0.050 0.000 3.276 456 I HA 0.839 5.009 4.170 -0.000 0.000 0.306 456 I C -0.191 175.981 176.117 0.091 0.000 1.060 456 I CA -0.758 60.586 61.300 0.073 0.000 1.133 456 I CB 1.831 39.766 38.000 -0.108 0.000 1.473 456 I HN 0.554 nan 8.210 nan 0.000 0.649 457 Q N 1.923 121.810 119.800 0.145 0.000 3.737 457 Q HA 0.193 4.533 4.340 -0.000 0.000 0.182 457 Q C -1.361 174.724 176.000 0.143 0.000 0.855 457 Q CA -0.331 55.548 55.803 0.127 0.000 0.781 457 Q CB 0.826 29.663 28.738 0.165 0.000 1.464 457 Q HN 0.756 nan 8.270 nan 0.000 0.462 458 E N 2.173 122.469 120.200 0.160 0.000 3.197 458 E HA -0.163 4.187 4.350 -0.000 0.000 0.251 458 E C -0.275 176.351 176.600 0.043 0.000 0.912 458 E CA 1.238 57.711 56.400 0.121 0.000 0.960 458 E CB 0.362 30.108 29.700 0.076 0.000 0.897 458 E HN 0.429 nan 8.360 nan 0.000 0.550 459 E N 1.832 122.039 120.200 0.010 0.000 2.437 459 E HA 0.401 4.751 4.350 -0.000 0.000 0.280 459 E C -0.258 176.318 176.600 -0.041 0.000 1.044 459 E CA -0.575 55.820 56.400 -0.008 0.000 0.826 459 E CB 0.867 30.576 29.700 0.015 0.000 1.358 459 E HN 0.432 nan 8.360 nan 0.000 0.459 460 G N 1.181 109.960 108.800 -0.035 0.000 2.669 460 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.227 460 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.227 460 G C 0.115 174.984 174.900 -0.052 0.000 1.210 460 G CA 0.388 45.462 45.100 -0.043 0.000 0.855 460 G HN 0.373 nan 8.290 nan 0.000 0.551 461 S N -0.416 115.249 115.700 -0.058 0.000 2.625 461 S HA 0.715 5.185 4.470 -0.000 0.000 0.258 461 S C 0.975 175.560 174.600 -0.025 0.000 1.256 461 S CA 0.593 58.759 58.200 -0.058 0.000 0.983 461 S CB 0.943 64.105 63.200 -0.063 0.000 1.032 461 S HN 1.743 nan 8.310 nan 0.000 0.572 462 G N -0.389 108.402 108.800 -0.015 0.000 2.404 462 G HA2 0.402 4.362 3.960 -0.000 0.000 0.253 462 G HA3 0.402 4.362 3.960 -0.000 0.000 0.253 462 G C -1.252 173.661 174.900 0.022 0.000 1.253 462 G CA -0.124 44.981 45.100 0.009 0.000 0.917 462 G HN 0.985 nan 8.290 nan 0.000 0.480 463 T N -2.545 112.036 114.554 0.045 0.000 2.861 463 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 463 T C 0.163 174.925 174.700 0.104 0.000 1.003 463 T CA -0.078 62.057 62.100 0.058 0.000 0.977 463 T CB 1.116 70.010 68.868 0.043 0.000 0.996 463 T HN 1.672 nan 8.240 nan 0.000 0.448 464 C N 4.499 123.877 119.300 0.130 0.000 2.538 464 C HA 0.138 4.598 4.460 -0.000 0.000 0.408 464 C C 2.158 177.246 174.990 0.164 0.000 1.421 464 C CA -0.397 58.747 59.018 0.210 0.000 1.642 464 C CB -1.795 26.087 27.740 0.236 0.000 2.553 464 C HN 1.069 nan 8.230 nan 0.000 0.604 465 I N 4.559 125.239 120.570 0.184 0.000 2.800 465 I HA -0.142 4.028 4.170 -0.000 0.000 0.266 465 I C 1.845 177.967 176.117 0.008 0.000 1.249 465 I CA 1.799 63.136 61.300 0.063 0.000 1.458 465 I CB -0.477 37.502 38.000 -0.035 0.000 1.093 465 I HN 0.906 nan 8.210 nan 0.000 0.466 466 N N -0.846 117.885 118.700 0.051 0.000 2.905 466 N HA -0.078 4.662 4.740 -0.000 0.000 0.237 466 N C 1.855 177.397 175.510 0.053 0.000 1.017 466 N CA 0.759 53.826 53.050 0.027 0.000 1.127 466 N CB 0.175 38.675 38.487 0.020 0.000 1.608 466 N HN 0.468 nan 8.380 nan 0.000 0.522 467 C N 0.327 119.683 119.300 0.093 0.000 2.576 467 C HA 0.531 4.991 4.460 -0.000 0.000 0.267 467 C C 1.704 176.732 174.990 0.062 0.000 1.364 467 C CA 0.309 59.372 59.018 0.076 0.000 1.723 467 C CB -0.810 26.986 27.740 0.093 0.000 1.778 467 C HN 0.678 nan 8.230 nan 0.000 0.572 468 G N 1.282 110.122 108.800 0.068 0.000 2.435 468 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.245 468 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.245 468 G C 0.699 175.628 174.900 0.048 0.000 1.073 468 G CA 0.594 45.725 45.100 0.052 0.000 0.638 468 G HN 0.739 nan 8.290 nan 0.000 0.521 469 R N 1.204 121.733 120.500 0.048 0.000 3.213 469 R HA 0.295 4.635 4.340 -0.000 0.000 0.284 469 R C 0.849 177.165 176.300 0.028 0.000 1.096 469 R CA 0.426 56.545 56.100 0.032 0.000 1.168 469 R CB 0.059 30.376 30.300 0.029 0.000 1.133 469 R HN 0.536 nan 8.270 nan 0.000 0.540 470 E N 0.179 120.382 120.200 0.005 0.000 2.324 470 E HA 0.152 4.502 4.350 -0.000 0.000 0.271 470 E C -1.292 175.297 176.600 -0.019 0.000 1.028 470 E CA -0.260 56.132 56.400 -0.012 0.000 0.890 470 E CB 0.748 30.427 29.700 -0.035 0.000 1.004 470 E HN 0.530 nan 8.360 nan 0.000 0.431 471 A N 5.913 128.729 122.820 -0.007 0.000 2.277 471 A HA 0.405 4.725 4.320 -0.000 0.000 0.318 471 A C -2.223 175.315 177.584 -0.077 0.000 1.339 471 A CA -1.522 50.519 52.037 0.006 0.000 0.875 471 A CB 0.979 20.042 19.000 0.104 0.000 1.158 471 A HN 0.568 nan 8.150 nan 0.000 0.514 472 P HA 0.178 nan 4.420 nan 0.000 0.262 472 P C -0.966 176.009 177.300 -0.542 0.000 1.304 472 P CA 0.597 63.424 63.100 -0.454 0.000 0.859 472 P CB -0.096 31.188 31.700 -0.694 0.000 1.310 473 Y N -1.298 118.970 120.300 -0.053 0.000 2.524 473 Y HA 0.615 5.165 4.550 -0.000 0.000 0.347 473 Y C 0.517 176.406 175.900 -0.019 0.000 1.005 473 Y CA -1.519 56.562 58.100 -0.031 0.000 1.025 473 Y CB 1.391 39.832 38.460 -0.032 0.000 1.275 473 Y HN -0.433 nan 8.280 nan 0.000 0.460 474 R N 1.766 122.345 120.500 0.132 0.000 2.254 474 R HA 0.819 5.159 4.340 -0.000 0.000 0.318 474 R C -1.074 175.153 176.300 -0.121 0.000 1.031 474 R CA -0.238 55.832 56.100 -0.050 0.000 0.905 474 R CB 0.438 30.724 30.300 -0.023 0.000 1.050 474 R HN 0.844 nan 8.270 nan 0.000 0.456 475 A N 3.502 126.000 122.820 -0.538 0.000 2.437 475 A HA 0.786 5.106 4.320 -0.000 0.000 0.292 475 A C -1.629 175.381 177.584 -0.958 0.000 1.173 475 A CA -0.545 51.137 52.037 -0.592 0.000 0.785 475 A CB 0.994 19.580 19.000 -0.690 0.000 1.351 475 A HN 0.626 nan 8.150 nan 0.000 0.431 476 Y N -1.237 118.845 120.300 -0.363 0.000 2.553 476 Y HA 0.733 5.283 4.550 -0.000 0.000 0.347 476 Y C -0.341 175.601 175.900 0.070 0.000 1.019 476 Y CA -0.757 57.275 58.100 -0.113 0.000 1.032 476 Y CB 1.979 40.392 38.460 -0.078 0.000 1.284 476 Y HN 0.590 nan 8.280 nan 0.000 0.466 477 L N 1.477 122.868 121.223 0.281 0.000 2.376 477 L HA 1.022 5.362 4.340 -0.000 0.000 0.258 477 L C -0.719 176.217 176.870 0.110 0.000 1.013 477 L CA -1.046 53.908 54.840 0.189 0.000 0.822 477 L CB 2.447 44.609 42.059 0.171 0.000 1.388 477 L HN 0.844 nan 8.230 nan 0.000 0.413 478 A N 1.092 123.945 122.820 0.055 0.000 2.452 478 A HA 0.645 4.965 4.320 -0.000 0.000 0.294 478 A C -1.883 175.694 177.584 -0.012 0.000 1.010 478 A CA -0.816 51.230 52.037 0.014 0.000 0.613 478 A CB 1.415 20.419 19.000 0.007 0.000 1.363 478 A HN 0.488 nan 8.150 nan 0.000 0.463 479 R N 1.188 121.661 120.500 -0.045 0.000 2.265 479 R HA 0.618 4.958 4.340 -0.000 0.000 0.319 479 R C -0.209 176.028 176.300 -0.105 0.000 1.006 479 R CA 0.321 56.380 56.100 -0.069 0.000 0.880 479 R CB 0.988 31.235 30.300 -0.088 0.000 1.077 479 R HN 1.000 nan 8.270 nan 0.000 0.454 480 T N -0.883 113.619 114.554 -0.086 0.000 2.942 480 T HA 0.503 4.853 4.350 -0.000 0.000 0.289 480 T C 0.068 174.713 174.700 -0.092 0.000 1.044 480 T CA -0.634 61.417 62.100 -0.082 0.000 1.023 480 T CB 1.087 69.953 68.868 -0.003 0.000 1.123 480 T HN 0.274 nan 8.240 nan 0.000 0.512 481 Y N 0.000 120.287 120.300 -0.021 0.000 2.660 481 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 481 Y CA 0.000 58.085 58.100 -0.026 0.000 1.940 481 Y CB 0.000 38.452 38.460 -0.013 0.000 1.050 481 Y HN 0.000 nan 8.280 nan 0.000 0.758