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 2jla_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVSAFNRRWA AVILEALTRH GVRHICIAPG SRSTPLTLAA AENSAFIHHT DATA SEQUENCE HFDERGLGHL ALGLAKVSKQ PVAVIVTSGT AVANLYPALI EAGLTGEKLI DATA SEQUENCE LLTADRPPEL IDCGANQAIR QPGXFASHPT HSISLPRPTQ DIPARWLVST DATA SEQUENCE IDHALGTLHA GGVHINCPFA EPLYGEXDDT GLSWQQRLGD WWQDDKPWLR DATA SEQUENCE EAPRLESEKQ RDWFFWRQKR GVVVAGRXSA EEGKKVALWA QTLGWPLIGD DATA SEQUENCE VLSQTGQPLP CADLWLGNAK ATSELQQAQI VVQLGSSLTG KRLLQWQASC DATA SEQUENCE EPEEYWIVDD IEGRLDPAHH RGRRLIANIA DWLELHPAEK RQPWCVEIPR DATA SEQUENCE LAEQAXQAVI ARRDAFGEAQ LAHRICDYLP EQGQLFVGNS LVVRLIDALS DATA SEQUENCE QLPAGYPVYS NRGASGIDGL LSTAAGVQRA SGKPTLAIVG DLSALYDLNA DATA SEQUENCE LALLRQVSAP LVLIVVNNNG GQIFSLLPTP QSERERFYLX PQNVHFEHAA DATA SEQUENCE AXFELKYHRP QNWQELETAF ADAWRTPTTT VIEXVVNDTD GAQTLQQLLA DATA SEQUENCE QVSHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.210 58.200 0.016 0.000 1.107 2 S CB 0.000 63.219 63.200 0.031 0.000 0.593 3 V N 4.328 124.252 119.914 0.016 0.000 2.358 3 V HA -0.070 4.096 4.120 0.077 0.000 0.246 3 V C 2.752 178.872 176.094 0.043 0.000 1.047 3 V CA 2.491 64.810 62.300 0.031 0.000 1.035 3 V CB -0.774 31.046 31.823 -0.004 0.000 0.658 3 V HN 0.945 nan 8.190 nan 0.000 0.452 4 S N 0.300 116.006 115.700 0.010 0.000 2.368 4 S HA -0.287 4.229 4.470 0.077 0.000 0.226 4 S C 2.111 176.704 174.600 -0.011 0.000 1.044 4 S CA 2.207 60.393 58.200 -0.023 0.000 1.062 4 S CB -0.421 62.773 63.200 -0.009 0.000 0.931 4 S HN 0.628 nan 8.310 nan 0.000 0.440 5 A N 0.043 122.884 122.820 0.034 0.000 1.898 5 A HA 0.069 4.435 4.320 0.077 0.000 0.216 5 A C 2.030 179.662 177.584 0.081 0.000 1.181 5 A CA 1.484 53.552 52.037 0.051 0.000 0.620 5 A CB -1.035 18.006 19.000 0.068 0.000 0.819 5 A HN 0.670 nan 8.150 nan 0.000 0.442 6 F N 1.514 121.446 119.950 -0.029 0.000 2.186 6 F HA -0.152 4.376 4.527 0.001 0.000 0.299 6 F C 1.962 177.774 175.800 0.020 0.000 1.090 6 F CA 1.667 59.644 58.000 -0.038 0.000 1.307 6 F CB -0.256 38.669 39.000 -0.126 0.000 1.019 6 F HN 0.201 nan 8.300 nan 0.000 0.489 7 N N 0.684 119.367 118.700 -0.029 0.000 2.094 7 N HA -0.198 4.588 4.740 0.077 0.000 0.191 7 N C 1.907 177.360 175.510 -0.096 0.000 1.023 7 N CA 1.579 54.600 53.050 -0.048 0.000 0.857 7 N CB -0.421 37.990 38.487 -0.126 0.000 1.013 7 N HN 0.388 nan 8.380 nan 0.000 0.426 8 R N 0.453 120.884 120.500 -0.114 0.000 2.090 8 R HA 0.110 4.496 4.340 0.077 0.000 0.228 8 R C 2.148 178.454 176.300 0.010 0.000 1.110 8 R CA 0.644 56.702 56.100 -0.070 0.000 0.973 8 R CB -0.091 30.176 30.300 -0.054 0.000 0.869 8 R HN 0.259 nan 8.270 nan 0.000 0.440 9 R N 0.071 120.552 120.500 -0.033 0.000 2.092 9 R HA -0.132 4.254 4.340 0.077 0.000 0.231 9 R C 2.033 178.410 176.300 0.129 0.000 1.119 9 R CA 1.002 57.129 56.100 0.045 0.000 0.970 9 R CB -0.300 30.025 30.300 0.041 0.000 0.864 9 R HN 0.442 nan 8.270 nan 0.000 0.440 10 W N 1.601 122.691 121.300 -0.349 0.000 2.332 10 W HA -0.240 4.456 4.660 0.060 0.000 0.321 10 W C 1.997 178.600 176.519 0.140 0.000 1.219 10 W CA 2.009 59.262 57.345 -0.153 0.000 1.277 10 W CB -0.303 28.983 29.460 -0.290 0.000 1.161 10 W HN 0.107 nan 8.180 nan 0.000 0.476 11 A N 0.732 123.770 122.820 0.363 0.000 1.978 11 A HA -0.100 4.266 4.320 0.077 0.000 0.220 11 A C 2.119 179.833 177.584 0.217 0.000 1.170 11 A CA 2.634 54.845 52.037 0.289 0.000 0.636 11 A CB -1.246 17.854 19.000 0.167 0.000 0.810 11 A HN 0.359 nan 8.150 nan 0.000 0.448 12 A N -0.545 122.411 122.820 0.226 0.000 1.930 12 A HA 0.034 4.400 4.320 0.077 0.000 0.217 12 A C 2.201 180.014 177.584 0.382 0.000 1.175 12 A CA 1.696 53.910 52.037 0.294 0.000 0.627 12 A CB -0.812 18.357 19.000 0.281 0.000 0.815 12 A HN 0.394 nan 8.150 nan 0.000 0.443 13 V N 0.270 120.386 119.914 0.337 0.000 2.295 13 V HA -0.274 3.891 4.120 0.077 0.000 0.246 13 V C 2.403 178.539 176.094 0.070 0.000 1.049 13 V CA 1.989 64.395 62.300 0.176 0.000 1.024 13 V CB -0.803 31.023 31.823 0.006 0.000 0.648 13 V HN 0.569 nan 8.190 nan 0.000 0.447 14 I N -0.331 120.264 120.570 0.041 0.000 2.118 14 I HA -0.309 3.907 4.170 0.077 0.000 0.241 14 I C 2.381 178.580 176.117 0.137 0.000 1.070 14 I CA 1.878 63.199 61.300 0.035 0.000 1.327 14 I CB -0.403 37.630 38.000 0.055 0.000 1.034 14 I HN 0.234 nan 8.210 nan 0.000 0.405 15 L N -0.003 121.348 121.223 0.213 0.000 2.027 15 L HA -0.204 4.182 4.340 0.077 0.000 0.206 15 L C 2.608 179.693 176.870 0.360 0.000 1.074 15 L CA 1.189 56.220 54.840 0.319 0.000 0.745 15 L CB -0.519 41.765 42.059 0.375 0.000 0.898 15 L HN 0.184 nan 8.230 nan 0.000 0.433 16 E N 0.459 120.832 120.200 0.288 0.000 2.130 16 E HA -0.242 4.154 4.350 0.077 0.000 0.196 16 E C 2.083 178.790 176.600 0.179 0.000 0.998 16 E CA 1.545 58.058 56.400 0.189 0.000 0.806 16 E CB -0.124 29.703 29.700 0.212 0.000 0.738 16 E HN 0.411 nan 8.360 nan 0.000 0.459 17 A N 0.178 123.159 122.820 0.268 0.000 1.898 17 A HA -0.112 4.254 4.320 0.077 0.000 0.216 17 A C 2.310 180.089 177.584 0.324 0.000 1.181 17 A CA 1.348 53.572 52.037 0.312 0.000 0.620 17 A CB -0.689 18.416 19.000 0.175 0.000 0.819 17 A HN 0.331 nan 8.150 nan 0.000 0.442 18 L N -0.867 120.521 121.223 0.275 0.000 2.083 18 L HA -0.173 4.213 4.340 0.077 0.000 0.209 18 L C 2.724 179.762 176.870 0.281 0.000 1.083 18 L CA 1.662 56.674 54.840 0.288 0.000 0.752 18 L CB -1.006 41.199 42.059 0.244 0.000 0.899 18 L HN 0.324 nan 8.230 nan 0.000 0.433 19 T N -0.476 114.205 114.554 0.211 0.000 2.721 19 T HA -0.184 4.212 4.350 0.077 0.000 0.268 19 T C 1.827 176.515 174.700 -0.020 0.000 1.038 19 T CA 1.212 63.331 62.100 0.031 0.000 1.145 19 T CB -0.137 68.657 68.868 -0.123 0.000 0.858 19 T HN 0.226 nan 8.240 nan 0.000 0.459 20 R N 0.537 121.026 120.500 -0.019 0.000 2.313 20 R HA 0.086 4.471 4.340 0.077 0.000 0.199 20 R C 0.893 177.016 176.300 -0.296 0.000 0.958 20 R CA 0.573 56.569 56.100 -0.173 0.000 1.047 20 R CB -0.273 29.913 30.300 -0.190 0.000 0.955 20 R HN 0.599 nan 8.270 nan 0.000 0.481 21 H N -0.909 118.183 119.070 0.037 0.000 2.581 21 H HA 0.221 4.823 4.556 0.075 0.000 0.275 21 H C 0.671 176.020 175.328 0.036 0.000 1.126 21 H CA 0.441 56.511 56.048 0.037 0.000 1.097 21 H CB 1.011 30.800 29.762 0.045 0.000 1.626 21 H HN 0.336 nan 8.280 nan 0.000 0.565 22 G N 1.327 110.184 108.800 0.094 0.000 2.132 22 G HA2 -0.282 3.724 3.960 0.077 0.000 0.234 22 G HA3 -0.282 3.724 3.960 0.077 0.000 0.234 22 G C 0.243 175.204 174.900 0.102 0.000 0.989 22 G CA 0.202 45.344 45.100 0.070 0.000 0.676 22 G HN 0.204 nan 8.290 nan 0.000 0.522 23 V N 1.767 121.772 119.914 0.152 0.000 2.397 23 V HA 0.289 4.455 4.120 0.077 0.000 0.262 23 V C 1.602 177.843 176.094 0.244 0.000 1.047 23 V CA 0.075 62.496 62.300 0.203 0.000 1.003 23 V CB 0.951 32.928 31.823 0.256 0.000 1.037 23 V HN 0.369 nan 8.190 nan 0.000 0.480 24 R N 1.783 122.382 120.500 0.165 0.000 2.142 24 R HA 0.189 4.575 4.340 0.077 0.000 0.204 24 R C 0.553 176.889 176.300 0.060 0.000 1.059 24 R CA 0.352 56.494 56.100 0.070 0.000 1.055 24 R CB 0.212 30.437 30.300 -0.126 0.000 0.976 24 R HN 0.648 nan 8.270 nan 0.000 0.483 25 H N 0.329 119.489 119.070 0.151 0.000 2.548 25 H HA 0.328 4.930 4.556 0.077 0.000 0.331 25 H C -0.466 174.888 175.328 0.043 0.000 1.093 25 H CA -0.165 55.965 56.048 0.137 0.000 1.367 25 H CB 1.740 31.585 29.762 0.137 0.000 1.455 25 H HN 0.024 nan 8.280 nan 0.000 0.519 26 I N 2.638 123.277 120.570 0.115 0.000 2.569 26 I HA 0.198 4.414 4.170 0.077 0.000 0.290 26 I C -0.967 175.215 176.117 0.108 0.000 1.088 26 I CA -0.400 60.873 61.300 -0.046 0.000 1.047 26 I CB 0.990 38.735 38.000 -0.425 0.000 1.237 26 I HN 0.509 nan 8.210 nan 0.000 0.421 27 C N 7.753 127.102 119.300 0.082 0.000 2.281 27 C HA 0.627 5.133 4.460 0.077 0.000 0.325 27 C C -0.080 174.962 174.990 0.086 0.000 1.282 27 C CA -0.624 58.461 59.018 0.112 0.000 1.640 27 C CB -0.083 27.692 27.740 0.060 0.000 2.288 27 C HN 0.469 nan 8.230 nan 0.000 0.507 28 I N 3.124 123.761 120.570 0.112 0.000 2.436 28 I HA 0.607 4.823 4.170 0.077 0.000 0.289 28 I C 0.321 176.496 176.117 0.097 0.000 1.010 28 I CA -0.112 61.245 61.300 0.095 0.000 1.098 28 I CB 1.482 39.539 38.000 0.096 0.000 1.266 28 I HN 0.716 nan 8.210 nan 0.000 0.434 29 A N 7.570 130.440 122.820 0.083 0.000 2.320 29 A HA 0.905 5.271 4.320 0.077 0.000 0.334 29 A C -2.584 175.049 177.584 0.081 0.000 1.147 29 A CA -1.571 50.513 52.037 0.078 0.000 0.820 29 A CB 0.539 19.578 19.000 0.066 0.000 1.218 29 A HN 0.436 nan 8.150 nan 0.000 0.482 30 P HA 0.534 nan 4.420 nan 0.000 0.275 30 P C 0.099 177.447 177.300 0.080 0.000 1.228 30 P CA 0.180 63.329 63.100 0.083 0.000 0.786 30 P CB 1.306 33.057 31.700 0.085 0.000 0.927 31 G N -0.738 108.112 108.800 0.082 0.000 2.506 31 G HA2 0.342 4.348 3.960 0.077 0.000 0.292 31 G HA3 0.342 4.348 3.960 0.077 0.000 0.292 31 G C -0.034 174.928 174.900 0.104 0.000 1.425 31 G CA -0.054 45.097 45.100 0.086 0.000 0.788 31 G HN 0.371 nan 8.290 nan 0.000 0.490 32 S N -1.330 114.436 115.700 0.110 0.000 2.517 32 S HA 0.043 4.559 4.470 0.077 0.000 0.228 32 S C 2.182 176.817 174.600 0.057 0.000 1.060 32 S CA 0.835 59.124 58.200 0.150 0.000 0.937 32 S CB -0.098 63.211 63.200 0.182 0.000 0.840 32 S HN 0.456 nan 8.310 nan 0.000 0.546 33 R N 2.173 122.711 120.500 0.064 0.000 2.193 33 R HA 0.067 4.452 4.340 0.077 0.000 0.229 33 R C 1.848 178.187 176.300 0.066 0.000 1.110 33 R CA 1.829 57.967 56.100 0.064 0.000 0.988 33 R CB -0.694 29.666 30.300 0.101 0.000 0.871 33 R HN 0.503 nan 8.270 nan 0.000 0.458 34 S N -2.220 113.513 115.700 0.055 0.000 2.593 34 S HA 0.025 4.540 4.470 0.077 0.000 0.217 34 S C 1.542 176.108 174.600 -0.056 0.000 0.966 34 S CA 0.451 58.681 58.200 0.050 0.000 0.914 34 S CB 0.053 63.303 63.200 0.083 0.000 0.776 34 S HN 0.165 nan 8.310 nan 0.000 0.523 35 T N 3.863 118.342 114.554 -0.126 0.000 2.665 35 T HA -0.057 4.339 4.350 0.077 0.000 0.268 35 T C -0.718 173.835 174.700 -0.244 0.000 1.035 35 T CA 1.827 63.823 62.100 -0.174 0.000 1.151 35 T CB -1.354 67.312 68.868 -0.337 0.000 0.862 35 T HN 0.402 nan 8.240 nan 0.000 0.438 36 P HA -0.024 nan 4.420 nan 0.000 0.216 36 P C 1.549 178.697 177.300 -0.254 0.000 1.153 36 P CA 0.974 63.775 63.100 -0.499 0.000 0.858 36 P CB -0.157 30.819 31.700 -1.206 0.000 0.789 37 L N -1.554 119.564 121.223 -0.176 0.000 2.005 37 L HA -0.139 4.247 4.340 0.077 0.000 0.207 37 L C 2.376 179.265 176.870 0.032 0.000 1.072 37 L CA 1.855 56.711 54.840 0.026 0.000 0.744 37 L CB -1.635 40.501 42.059 0.129 0.000 0.895 37 L HN 0.012 nan 8.230 nan 0.000 0.433 38 T N 0.546 115.108 114.554 0.013 0.000 2.684 38 T HA -0.185 4.211 4.350 0.077 0.000 0.267 38 T C 1.950 176.667 174.700 0.029 0.000 1.036 38 T CA 1.363 63.481 62.100 0.029 0.000 1.148 38 T CB -0.312 68.574 68.868 0.030 0.000 0.863 38 T HN 0.185 nan 8.240 nan 0.000 0.436 39 L N 0.596 121.823 121.223 0.006 0.000 2.141 39 L HA 0.001 4.387 4.340 0.077 0.000 0.209 39 L C 3.072 179.972 176.870 0.051 0.000 1.094 39 L CA 0.949 55.799 54.840 0.017 0.000 0.763 39 L CB -0.746 41.313 42.059 -0.000 0.000 0.908 39 L HN 0.249 nan 8.230 nan 0.000 0.437 40 A N 0.425 123.283 122.820 0.064 0.000 1.877 40 A HA -0.154 4.212 4.320 0.077 0.000 0.216 40 A C 2.580 180.289 177.584 0.208 0.000 1.186 40 A CA 1.745 53.857 52.037 0.125 0.000 0.620 40 A CB -0.693 18.389 19.000 0.136 0.000 0.822 40 A HN 0.371 nan 8.150 nan 0.000 0.443 41 A N -0.048 122.898 122.820 0.210 0.000 1.877 41 A HA 0.118 4.484 4.320 0.077 0.000 0.216 41 A C 2.553 180.396 177.584 0.432 0.000 1.186 41 A CA 2.381 54.615 52.037 0.327 0.000 0.620 41 A CB -1.216 17.853 19.000 0.116 0.000 0.822 41 A HN 1.155 nan 8.150 nan 0.000 0.443 42 A N 0.752 123.672 122.820 0.167 0.000 1.892 42 A HA -0.234 4.131 4.320 0.077 0.000 0.218 42 A C 1.934 179.558 177.584 0.066 0.000 1.188 42 A CA 1.907 53.911 52.037 -0.055 0.000 0.631 42 A CB -0.709 18.230 19.000 -0.102 0.000 0.822 42 A HN 0.809 nan 8.150 nan 0.000 0.447 43 E N -0.664 119.601 120.200 0.110 0.000 2.502 43 E HA -0.038 4.358 4.350 0.077 0.000 0.194 43 E C 0.170 176.847 176.600 0.128 0.000 1.062 43 E CA -0.037 56.421 56.400 0.096 0.000 0.867 43 E CB -0.248 29.490 29.700 0.062 0.000 0.888 43 E HN 0.414 nan 8.360 nan 0.000 0.510 44 N N 1.838 120.668 118.700 0.216 0.000 2.527 44 N HA -0.002 4.784 4.740 0.077 0.000 0.236 44 N C 0.225 175.767 175.510 0.053 0.000 0.999 44 N CA -0.070 53.059 53.050 0.132 0.000 0.935 44 N CB 1.540 40.137 38.487 0.184 0.000 1.132 44 N HN 0.155 nan 8.380 nan 0.000 0.511 45 S N 1.853 117.548 115.700 -0.009 0.000 2.660 45 S HA 0.008 4.524 4.470 0.077 0.000 0.228 45 S C 1.510 176.026 174.600 -0.139 0.000 0.966 45 S CA 0.295 58.486 58.200 -0.016 0.000 0.940 45 S CB -0.012 63.184 63.200 -0.007 0.000 0.773 45 S HN 0.488 nan 8.310 nan 0.000 0.535 46 A N 0.434 123.054 122.820 -0.334 0.000 2.119 46 A HA 0.368 4.734 4.320 0.077 0.000 0.216 46 A C 0.313 177.614 177.584 -0.473 0.000 1.152 46 A CA 0.167 51.932 52.037 -0.454 0.000 0.708 46 A CB -0.411 18.219 19.000 -0.616 0.000 0.805 46 A HN 0.513 nan 8.150 nan 0.000 0.460 47 F N -0.523 119.326 119.950 -0.168 0.000 2.397 47 F HA 0.546 5.117 4.527 0.073 0.000 0.331 47 F C 0.234 175.740 175.800 -0.490 0.000 1.090 47 F CA -1.411 56.377 58.000 -0.353 0.000 1.065 47 F CB 0.832 39.547 39.000 -0.475 0.000 1.184 47 F HN -0.118 nan 8.300 nan 0.000 0.499 48 I N 2.728 123.156 120.570 -0.236 0.000 2.304 48 I HA 0.216 4.432 4.170 0.077 0.000 0.291 48 I C -0.731 175.153 176.117 -0.388 0.000 1.018 48 I CA -0.546 60.570 61.300 -0.307 0.000 1.260 48 I CB 0.517 38.340 38.000 -0.296 0.000 1.390 48 I HN 0.504 nan 8.210 nan 0.000 0.475 49 H N 5.049 124.031 119.070 -0.146 0.000 2.562 49 H HA 0.426 5.027 4.556 0.076 0.000 0.314 49 H C -0.565 174.597 175.328 -0.277 0.000 1.079 49 H CA -0.391 55.585 56.048 -0.121 0.000 1.349 49 H CB 0.552 30.301 29.762 -0.021 0.000 1.432 49 H HN 0.444 nan 8.280 nan 0.000 0.479 50 H N 1.647 120.817 119.070 0.166 0.000 2.524 50 H HA 0.418 5.020 4.556 0.077 0.000 0.353 50 H C -0.083 175.311 175.328 0.111 0.000 1.136 50 H CA -0.730 55.390 56.048 0.119 0.000 1.193 50 H CB 2.033 31.840 29.762 0.075 0.000 1.558 50 H HN 0.738 nan 8.280 nan 0.000 0.515 51 T N -0.318 114.367 114.554 0.219 0.000 2.900 51 T HA 0.478 4.874 4.350 0.077 0.000 0.295 51 T C -0.985 173.845 174.700 0.216 0.000 1.044 51 T CA -0.816 61.393 62.100 0.182 0.000 0.995 51 T CB 2.732 71.689 68.868 0.149 0.000 1.072 51 T HN 0.760 nan 8.240 nan 0.000 0.473 52 H N 1.244 120.337 119.070 0.038 0.000 3.064 52 H HA 0.462 5.063 4.556 0.076 0.000 0.352 52 H C -0.189 175.102 175.328 -0.061 0.000 1.260 52 H CA -1.406 54.596 56.048 -0.076 0.000 1.160 52 H CB 1.094 30.741 29.762 -0.192 0.000 1.879 52 H HN 0.606 nan 8.280 nan 0.000 0.544 53 F N -0.167 119.471 119.950 -0.520 0.000 2.569 53 F HA 0.280 4.852 4.527 0.076 0.000 0.295 53 F C 0.386 175.994 175.800 -0.318 0.000 1.115 53 F CA -0.260 57.556 58.000 -0.307 0.000 1.450 53 F CB 0.344 39.229 39.000 -0.191 0.000 1.107 53 F HN 0.311 nan 8.300 nan 0.000 0.563 54 D N 1.532 121.332 120.400 -0.999 0.000 2.373 54 D HA 0.103 4.789 4.640 0.077 0.000 0.227 54 D C 0.509 176.742 176.300 -0.112 0.000 1.091 54 D CA 0.023 53.825 54.000 -0.330 0.000 0.840 54 D CB 1.436 42.078 40.800 -0.262 0.000 1.060 54 D HN 0.180 nan 8.370 nan 0.000 0.502 55 E N 2.367 122.570 120.200 0.005 0.000 2.204 55 E HA -0.120 4.276 4.350 0.077 0.000 0.194 55 E C 1.825 178.470 176.600 0.075 0.000 0.989 55 E CA 0.702 57.131 56.400 0.048 0.000 0.824 55 E CB 0.191 29.930 29.700 0.064 0.000 0.756 55 E HN 0.431 nan 8.360 nan 0.000 0.477 56 R N 0.018 120.581 120.500 0.105 0.000 2.075 56 R HA -0.096 4.290 4.340 0.077 0.000 0.232 56 R C 2.274 178.705 176.300 0.218 0.000 1.126 56 R CA 1.535 57.727 56.100 0.153 0.000 0.963 56 R CB -0.506 29.906 30.300 0.186 0.000 0.858 56 R HN 0.282 nan 8.270 nan 0.000 0.435 57 G N 1.405 110.313 108.800 0.180 0.000 2.446 57 G HA2 -0.301 3.705 3.960 0.077 0.000 0.217 57 G HA3 -0.301 3.705 3.960 0.077 0.000 0.217 57 G C 1.328 176.292 174.900 0.108 0.000 1.168 57 G CA 0.818 46.008 45.100 0.150 0.000 0.771 57 G HN 0.311 nan 8.290 nan 0.000 0.551 58 L N 1.431 122.737 121.223 0.138 0.000 2.043 58 L HA 0.038 4.424 4.340 0.077 0.000 0.212 58 L C 2.893 179.759 176.870 -0.007 0.000 1.075 58 L CA 2.327 57.206 54.840 0.065 0.000 0.752 58 L CB -0.786 41.316 42.059 0.072 0.000 0.891 58 L HN 0.211 nan 8.230 nan 0.000 0.432 59 G N -2.045 106.736 108.800 -0.031 0.000 2.433 59 G HA2 -0.316 3.689 3.960 0.077 0.000 0.216 59 G HA3 -0.316 3.689 3.960 0.077 0.000 0.216 59 G C 1.314 176.096 174.900 -0.197 0.000 1.186 59 G CA 1.120 46.136 45.100 -0.140 0.000 0.779 59 G HN 0.571 nan 8.290 nan 0.000 0.543 60 H N -0.623 118.398 119.070 -0.082 0.000 2.423 60 H HA 0.053 4.655 4.556 0.077 0.000 0.297 60 H C 2.292 177.525 175.328 -0.159 0.000 1.075 60 H CA 0.986 56.967 56.048 -0.110 0.000 1.342 60 H CB -0.027 29.670 29.762 -0.108 0.000 1.395 60 H HN 0.298 nan 8.280 nan 0.000 0.530 61 L N 0.586 121.768 121.223 -0.067 0.000 1.994 61 L HA -0.141 4.245 4.340 0.077 0.000 0.208 61 L C 2.424 179.173 176.870 -0.202 0.000 1.071 61 L CA 1.810 56.545 54.840 -0.175 0.000 0.745 61 L CB -0.877 41.065 42.059 -0.195 0.000 0.892 61 L HN 0.246 nan 8.230 nan 0.000 0.431 62 A N -0.590 122.136 122.820 -0.156 0.000 1.917 62 A HA -0.256 4.110 4.320 0.077 0.000 0.219 62 A C 2.291 179.786 177.584 -0.148 0.000 1.182 62 A CA 2.161 54.109 52.037 -0.148 0.000 0.633 62 A CB -1.142 17.801 19.000 -0.094 0.000 0.819 62 A HN 0.533 nan 8.150 nan 0.000 0.448 63 L N -0.063 121.080 121.223 -0.133 0.000 2.046 63 L HA -0.055 4.331 4.340 0.077 0.000 0.208 63 L C 2.439 179.246 176.870 -0.105 0.000 1.077 63 L CA 2.304 57.080 54.840 -0.107 0.000 0.747 63 L CB -0.867 41.135 42.059 -0.096 0.000 0.896 63 L HN 0.315 nan 8.230 nan 0.000 0.432 64 G N -0.627 108.087 108.800 -0.143 0.000 2.422 64 G HA2 -0.229 3.777 3.960 0.077 0.000 0.218 64 G HA3 -0.229 3.777 3.960 0.077 0.000 0.218 64 G C 1.601 176.350 174.900 -0.252 0.000 1.146 64 G CA 1.042 46.021 45.100 -0.202 0.000 0.769 64 G HN 0.419 nan 8.290 nan 0.000 0.547 65 L N 0.507 121.560 121.223 -0.282 0.000 2.017 65 L HA -0.073 4.312 4.340 0.077 0.000 0.208 65 L C 3.380 180.113 176.870 -0.229 0.000 1.073 65 L CA 1.238 55.868 54.840 -0.351 0.000 0.745 65 L CB -0.335 41.445 42.059 -0.466 0.000 0.894 65 L HN 0.318 nan 8.230 nan 0.000 0.432 66 A N -0.648 122.081 122.820 -0.151 0.000 1.968 66 A HA -0.186 4.180 4.320 0.077 0.000 0.217 66 A C 2.348 179.891 177.584 -0.069 0.000 1.169 66 A CA 1.309 53.296 52.037 -0.083 0.000 0.638 66 A CB -0.339 18.625 19.000 -0.059 0.000 0.812 66 A HN 0.268 nan 8.150 nan 0.000 0.446 67 K N -0.247 120.105 120.400 -0.081 0.000 2.020 67 K HA -0.150 4.216 4.320 0.077 0.000 0.212 67 K C 1.792 178.356 176.600 -0.059 0.000 1.050 67 K CA 2.048 58.310 56.287 -0.041 0.000 0.929 67 K CB -0.238 32.242 32.500 -0.032 0.000 0.714 67 K HN 0.271 nan 8.250 nan 0.000 0.443 68 V N 0.541 120.342 119.914 -0.189 0.000 2.446 68 V HA -0.138 4.028 4.120 0.077 0.000 0.244 68 V C 2.133 178.186 176.094 -0.068 0.000 1.039 68 V CA 1.840 64.013 62.300 -0.211 0.000 1.045 68 V CB 0.145 31.734 31.823 -0.391 0.000 0.681 68 V HN 0.500 nan 8.190 nan 0.000 0.459 69 S N -1.282 114.377 115.700 -0.068 0.000 2.561 69 S HA -0.083 4.433 4.470 0.077 0.000 0.225 69 S C 1.203 175.811 174.600 0.013 0.000 0.977 69 S CA 0.181 58.376 58.200 -0.007 0.000 0.926 69 S CB -0.186 63.028 63.200 0.024 0.000 0.769 69 S HN 0.405 nan 8.310 nan 0.000 0.533 70 K N 0.042 120.444 120.400 0.003 0.000 3.013 70 K HA -0.133 4.233 4.320 0.077 0.000 0.275 70 K C -0.387 176.218 176.600 0.009 0.000 1.086 70 K CA 1.122 57.412 56.287 0.005 0.000 0.814 70 K CB -1.796 30.710 32.500 0.010 0.000 1.212 70 K HN 0.581 nan 8.250 nan 0.000 0.468 71 Q N -0.163 119.651 119.800 0.023 0.000 2.248 71 Q HA 0.434 4.820 4.340 0.077 0.000 0.263 71 Q C -2.263 173.763 176.000 0.043 0.000 1.007 71 Q CA -2.149 53.681 55.803 0.044 0.000 0.877 71 Q CB 1.129 29.914 28.738 0.077 0.000 1.315 71 Q HN -0.042 nan 8.270 nan 0.000 0.454 72 P HA 0.136 nan 4.420 nan 0.000 0.276 72 P C -0.662 176.681 177.300 0.073 0.000 1.243 72 P CA -0.064 63.066 63.100 0.050 0.000 0.768 72 P CB 0.684 32.419 31.700 0.059 0.000 0.856 73 V N 3.284 123.226 119.914 0.047 0.000 2.513 73 V HA 0.609 4.775 4.120 0.077 0.000 0.299 73 V C 0.535 176.646 176.094 0.029 0.000 1.035 73 V CA -0.800 61.534 62.300 0.057 0.000 0.889 73 V CB 1.599 33.432 31.823 0.017 0.000 0.988 73 V HN 0.705 nan 8.190 nan 0.000 0.440 74 A N 4.268 127.100 122.820 0.020 0.000 2.295 74 A HA 0.888 5.254 4.320 0.077 0.000 0.318 74 A C -0.775 176.800 177.584 -0.015 0.000 1.134 74 A CA -0.523 51.505 52.037 -0.015 0.000 0.827 74 A CB 1.414 20.363 19.000 -0.085 0.000 1.136 74 A HN 0.727 nan 8.150 nan 0.000 0.493 75 V N 2.541 122.457 119.914 0.002 0.000 2.569 75 V HA 0.364 4.530 4.120 0.077 0.000 0.301 75 V C -0.710 175.410 176.094 0.045 0.000 1.044 75 V CA -0.078 62.234 62.300 0.020 0.000 0.874 75 V CB 1.498 33.331 31.823 0.016 0.000 1.002 75 V HN 0.760 nan 8.190 nan 0.000 0.424 76 I N 5.681 126.280 120.570 0.049 0.000 2.378 76 I HA 0.721 4.937 4.170 0.077 0.000 0.291 76 I C -0.369 175.798 176.117 0.084 0.000 0.992 76 I CA -0.725 60.620 61.300 0.074 0.000 1.154 76 I CB 1.909 39.947 38.000 0.063 0.000 1.315 76 I HN 0.560 nan 8.210 nan 0.000 0.448 77 V N 1.685 121.660 119.914 0.102 0.000 3.130 77 V HA 0.613 4.779 4.120 0.077 0.000 0.310 77 V C -0.388 175.771 176.094 0.108 0.000 1.158 77 V CA -0.534 61.825 62.300 0.098 0.000 1.029 77 V CB 1.750 33.631 31.823 0.097 0.000 1.057 77 V HN 0.649 nan 8.190 nan 0.000 0.436 78 T N 1.213 115.824 114.554 0.096 0.000 2.824 78 T HA 0.507 4.903 4.350 0.077 0.000 0.277 78 T C 0.475 175.230 174.700 0.090 0.000 0.975 78 T CA 0.457 62.616 62.100 0.098 0.000 0.966 78 T CB 1.130 70.049 68.868 0.086 0.000 1.054 78 T HN 1.747 nan 8.240 nan 0.000 0.533 79 S N 0.572 116.323 115.700 0.086 0.000 2.576 79 S HA 0.616 5.132 4.470 0.077 0.000 0.276 79 S C 0.631 175.261 174.600 0.049 0.000 1.339 79 S CA 0.314 58.553 58.200 0.065 0.000 1.039 79 S CB 0.030 63.267 63.200 0.061 0.000 0.902 79 S HN 1.575 nan 8.310 nan 0.000 0.516 80 G N 1.781 110.599 108.800 0.031 0.000 2.384 80 G HA2 -0.130 3.875 3.960 0.077 0.000 0.204 80 G HA3 -0.130 3.875 3.960 0.077 0.000 0.204 80 G C 0.541 175.456 174.900 0.024 0.000 1.237 80 G CA 0.467 45.581 45.100 0.024 0.000 1.060 80 G HN 1.789 nan 8.290 nan 0.000 0.514 81 T N -0.700 113.873 114.554 0.033 0.000 2.996 81 T HA 0.211 4.607 4.350 0.077 0.000 0.271 81 T C 2.522 177.259 174.700 0.062 0.000 1.126 81 T CA 2.403 64.529 62.100 0.043 0.000 1.103 81 T CB -0.443 68.454 68.868 0.050 0.000 0.870 81 T HN 2.056 nan 8.240 nan 0.000 0.528 82 A N 1.539 124.396 122.820 0.062 0.000 1.892 82 A HA -0.050 4.316 4.320 0.077 0.000 0.218 82 A C 2.620 180.256 177.584 0.088 0.000 1.188 82 A CA 1.990 54.072 52.037 0.074 0.000 0.631 82 A CB -1.221 17.823 19.000 0.073 0.000 0.822 82 A HN 0.463 nan 8.150 nan 0.000 0.447 83 V N -0.309 119.651 119.914 0.076 0.000 2.407 83 V HA -0.221 3.945 4.120 0.077 0.000 0.248 83 V C 2.968 179.160 176.094 0.163 0.000 1.055 83 V CA 1.869 64.228 62.300 0.098 0.000 1.049 83 V CB -1.277 30.543 31.823 -0.005 0.000 0.662 83 V HN 0.625 nan 8.190 nan 0.000 0.455 84 A N -0.087 122.787 122.820 0.091 0.000 2.067 84 A HA -0.173 4.193 4.320 0.077 0.000 0.219 84 A C 2.051 179.760 177.584 0.207 0.000 1.158 84 A CA 1.522 53.639 52.037 0.133 0.000 0.661 84 A CB -0.621 18.423 19.000 0.072 0.000 0.801 84 A HN 0.619 nan 8.150 nan 0.000 0.452 85 N N -0.055 118.740 118.700 0.157 0.000 2.396 85 N HA -0.003 4.783 4.740 0.077 0.000 0.180 85 N C 1.349 176.928 175.510 0.116 0.000 1.028 85 N CA 0.719 53.855 53.050 0.143 0.000 0.893 85 N CB -0.118 38.438 38.487 0.116 0.000 0.967 85 N HN 0.492 nan 8.380 nan 0.000 0.440 86 L N 0.030 121.315 121.223 0.103 0.000 2.456 86 L HA -0.129 4.257 4.340 0.077 0.000 0.224 86 L C 2.157 178.953 176.870 -0.122 0.000 1.148 86 L CA 0.413 55.236 54.840 -0.028 0.000 0.825 86 L CB -0.476 41.558 42.059 -0.041 0.000 0.937 86 L HN 0.134 nan 8.230 nan 0.000 0.450 87 Y N 1.636 121.840 120.300 -0.160 0.000 2.114 87 Y HA -0.166 4.431 4.550 0.078 0.000 0.282 87 Y C -0.061 175.696 175.900 -0.238 0.000 1.165 87 Y CA 1.029 58.987 58.100 -0.236 0.000 1.148 87 Y CB -1.687 36.795 38.460 0.037 0.000 0.972 87 Y HN 0.140 nan 8.280 nan 0.000 0.504 88 P HA -0.184 nan 4.420 nan 0.000 0.214 88 P C 1.613 178.771 177.300 -0.237 0.000 1.163 88 P CA 2.719 65.747 63.100 -0.120 0.000 0.883 88 P CB -0.322 31.407 31.700 0.050 0.000 0.788 89 A N -1.003 121.558 122.820 -0.431 0.000 1.978 89 A HA -0.189 4.177 4.320 0.077 0.000 0.220 89 A C 2.156 179.564 177.584 -0.293 0.000 1.170 89 A CA 1.449 53.172 52.037 -0.523 0.000 0.636 89 A CB -1.658 16.960 19.000 -0.636 0.000 0.810 89 A HN 0.148 nan 8.150 nan 0.000 0.448 90 L N -0.261 120.797 121.223 -0.275 0.000 2.027 90 L HA -0.090 4.296 4.340 0.077 0.000 0.206 90 L C 2.231 178.998 176.870 -0.172 0.000 1.074 90 L CA 1.712 56.407 54.840 -0.242 0.000 0.745 90 L CB -0.429 41.393 42.059 -0.394 0.000 0.898 90 L HN 0.413 nan 8.230 nan 0.000 0.433 91 I N -0.381 120.050 120.570 -0.233 0.000 2.127 91 I HA -0.324 3.892 4.170 0.077 0.000 0.241 91 I C 2.530 178.565 176.117 -0.135 0.000 1.075 91 I CA 1.694 62.837 61.300 -0.262 0.000 1.334 91 I CB -0.294 37.427 38.000 -0.465 0.000 1.040 91 I HN 0.355 nan 8.210 nan 0.000 0.405 92 E N 1.093 121.217 120.200 -0.127 0.000 2.058 92 E HA -0.244 4.152 4.350 0.077 0.000 0.194 92 E C 2.139 178.708 176.600 -0.053 0.000 0.997 92 E CA 1.755 58.114 56.400 -0.069 0.000 0.801 92 E CB -0.281 29.395 29.700 -0.041 0.000 0.746 92 E HN 0.425 nan 8.360 nan 0.000 0.450 93 A N 0.298 123.073 122.820 -0.075 0.000 1.892 93 A HA -0.175 4.191 4.320 0.077 0.000 0.218 93 A C 2.522 180.086 177.584 -0.033 0.000 1.188 93 A CA 2.140 54.143 52.037 -0.058 0.000 0.631 93 A CB -1.616 17.337 19.000 -0.078 0.000 0.822 93 A HN 0.451 nan 8.150 nan 0.000 0.447 94 G N -0.863 107.925 108.800 -0.020 0.000 2.470 94 G HA2 -0.070 3.935 3.960 0.077 0.000 0.220 94 G HA3 -0.070 3.935 3.960 0.077 0.000 0.220 94 G C 1.429 176.341 174.900 0.021 0.000 1.121 94 G CA 1.082 46.193 45.100 0.018 0.000 0.766 94 G HN 0.470 nan 8.290 nan 0.000 0.553 95 L N 0.279 121.507 121.223 0.008 0.000 2.408 95 L HA 0.132 4.518 4.340 0.077 0.000 0.215 95 L C 2.741 179.611 176.870 0.000 0.000 1.081 95 L CA 1.377 56.221 54.840 0.008 0.000 0.840 95 L CB 0.156 42.216 42.059 0.002 0.000 1.002 95 L HN 0.340 nan 8.230 nan 0.000 0.468 96 T N -5.325 109.226 114.554 -0.006 0.000 2.971 96 T HA 0.345 4.740 4.350 0.077 0.000 0.252 96 T C 1.341 176.035 174.700 -0.011 0.000 1.022 96 T CA 0.559 62.656 62.100 -0.005 0.000 0.980 96 T CB 1.151 70.021 68.868 0.003 0.000 1.044 96 T HN 0.295 nan 8.240 nan 0.000 0.501 97 G N 1.139 109.928 108.800 -0.020 0.000 2.192 97 G HA2 -0.160 3.846 3.960 0.077 0.000 0.193 97 G HA3 -0.160 3.846 3.960 0.077 0.000 0.193 97 G C -0.325 174.548 174.900 -0.046 0.000 0.999 97 G CA -0.396 44.682 45.100 -0.037 0.000 0.659 97 G HN 0.546 nan 8.290 nan 0.000 0.503 98 E N 1.476 121.654 120.200 -0.036 0.000 2.417 98 E HA 0.356 4.752 4.350 0.077 0.000 0.261 98 E C 0.452 177.026 176.600 -0.042 0.000 1.000 98 E CA 0.392 56.769 56.400 -0.039 0.000 0.919 98 E CB 0.414 30.090 29.700 -0.041 0.000 0.955 98 E HN 0.358 nan 8.360 nan 0.000 0.455 99 K N 3.802 124.180 120.400 -0.037 0.000 2.228 99 K HA 0.152 4.518 4.320 0.077 0.000 0.284 99 K C -0.448 176.141 176.600 -0.018 0.000 1.088 99 K CA 0.044 56.316 56.287 -0.026 0.000 0.941 99 K CB 0.143 32.634 32.500 -0.016 0.000 1.158 99 K HN 0.335 nan 8.250 nan 0.000 0.438 100 L N 4.818 126.026 121.223 -0.024 0.000 2.272 100 L HA 0.361 4.747 4.340 0.077 0.000 0.289 100 L C -0.181 176.691 176.870 0.004 0.000 1.032 100 L CA -0.963 53.863 54.840 -0.023 0.000 0.810 100 L CB 1.052 43.077 42.059 -0.057 0.000 1.205 100 L HN 0.399 nan 8.230 nan 0.000 0.422 101 I N 5.631 126.211 120.570 0.018 0.000 2.310 101 I HA 0.244 4.460 4.170 0.077 0.000 0.287 101 I C 0.051 176.203 176.117 0.058 0.000 1.073 101 I CA -0.346 60.979 61.300 0.042 0.000 1.216 101 I CB 0.632 38.654 38.000 0.036 0.000 1.415 101 I HN 0.446 nan 8.210 nan 0.000 0.480 102 L N 6.696 127.978 121.223 0.098 0.000 2.295 102 L HA 0.362 4.748 4.340 0.077 0.000 0.288 102 L C -0.001 176.993 176.870 0.207 0.000 1.079 102 L CA -0.276 54.647 54.840 0.138 0.000 0.830 102 L CB 0.268 42.417 42.059 0.150 0.000 1.200 102 L HN 0.364 nan 8.230 nan 0.000 0.438 103 L N 4.305 125.621 121.223 0.154 0.000 2.270 103 L HA 0.302 4.688 4.340 0.077 0.000 0.286 103 L C 0.495 177.479 176.870 0.190 0.000 1.059 103 L CA -0.278 54.660 54.840 0.162 0.000 0.839 103 L CB 0.853 42.987 42.059 0.125 0.000 1.221 103 L HN 0.592 nan 8.230 nan 0.000 0.431 104 T N 0.374 115.067 114.554 0.233 0.000 2.788 104 T HA 0.672 5.068 4.350 0.077 0.000 0.296 104 T C 0.307 175.119 174.700 0.186 0.000 1.009 104 T CA -0.761 61.470 62.100 0.219 0.000 0.949 104 T CB 1.493 70.524 68.868 0.273 0.000 0.946 104 T HN 0.549 nan 8.240 nan 0.000 0.453 105 A N 3.313 126.250 122.820 0.196 0.000 2.561 105 A HA 0.421 4.787 4.320 0.077 0.000 0.234 105 A C 0.343 178.010 177.584 0.138 0.000 1.055 105 A CA -0.057 52.115 52.037 0.224 0.000 0.756 105 A CB -0.048 19.099 19.000 0.245 0.000 0.986 105 A HN 0.921 nan 8.150 nan 0.000 0.505 106 D N 0.115 120.576 120.400 0.101 0.000 2.645 106 D HA 0.358 5.044 4.640 0.077 0.000 0.228 106 D C -0.279 176.049 176.300 0.045 0.000 1.148 106 D CA -0.595 53.432 54.000 0.046 0.000 0.860 106 D CB 1.113 41.911 40.800 -0.004 0.000 1.548 106 D HN 0.469 nan 8.370 nan 0.000 0.460 107 R N 1.901 122.420 120.500 0.032 0.000 2.734 107 R HA 0.268 4.654 4.340 0.077 0.000 0.266 107 R C -1.916 174.378 176.300 -0.011 0.000 1.044 107 R CA -0.953 55.159 56.100 0.021 0.000 1.128 107 R CB -0.102 30.207 30.300 0.015 0.000 1.010 107 R HN 0.391 nan 8.270 nan 0.000 0.461 108 P HA 0.139 nan 4.420 nan 0.000 0.276 108 P C -1.970 175.305 177.300 -0.042 0.000 1.261 108 P CA -1.422 61.647 63.100 -0.051 0.000 0.800 108 P CB 0.344 32.012 31.700 -0.052 0.000 1.066 109 P HA -0.174 nan 4.420 nan 0.000 0.218 109 P C 1.008 178.289 177.300 -0.032 0.000 1.148 109 P CA 1.688 64.763 63.100 -0.041 0.000 0.822 109 P CB -0.105 31.567 31.700 -0.047 0.000 0.784 110 E N 0.097 120.277 120.200 -0.034 0.000 2.204 110 E HA -0.091 4.305 4.350 0.077 0.000 0.195 110 E C 1.529 178.118 176.600 -0.019 0.000 0.990 110 E CA 0.790 57.174 56.400 -0.027 0.000 0.821 110 E CB -0.839 28.845 29.700 -0.027 0.000 0.750 110 E HN 0.312 nan 8.360 nan 0.000 0.477 111 L N 1.052 122.265 121.223 -0.016 0.000 2.848 111 L HA 0.194 4.579 4.340 0.077 0.000 0.240 111 L C -0.372 176.493 176.870 -0.008 0.000 1.232 111 L CA -0.407 54.428 54.840 -0.009 0.000 1.031 111 L CB 0.276 42.334 42.059 -0.003 0.000 1.338 111 L HN 0.061 nan 8.230 nan 0.000 0.509 112 I N 0.006 120.569 120.570 -0.012 0.000 2.377 112 I HA 0.239 4.455 4.170 0.077 0.000 0.293 112 I C 0.087 176.198 176.117 -0.010 0.000 0.987 112 I CA -0.321 60.973 61.300 -0.011 0.000 1.185 112 I CB 1.297 39.288 38.000 -0.015 0.000 1.341 112 I HN 0.120 nan 8.210 nan 0.000 0.455 113 D N 4.181 124.576 120.400 -0.008 0.000 2.699 113 D HA -0.179 4.507 4.640 0.077 0.000 0.239 113 D C 0.490 176.787 176.300 -0.005 0.000 1.136 113 D CA 0.937 54.933 54.000 -0.006 0.000 0.668 113 D CB -1.048 39.747 40.800 -0.007 0.000 1.060 113 D HN 0.862 nan 8.370 nan 0.000 0.429 114 C N -3.132 116.165 119.300 -0.004 0.000 3.613 114 C HA 0.676 5.182 4.460 0.077 0.000 0.277 114 C C 1.635 176.624 174.990 -0.001 0.000 2.235 114 C CA 0.449 59.465 59.018 -0.004 0.000 1.657 114 C CB 0.090 27.827 27.740 -0.005 0.000 3.412 114 C HN 0.881 nan 8.230 nan 0.000 0.432 115 G N 1.372 110.172 108.800 0.000 0.000 2.155 115 G HA2 0.122 4.128 3.960 0.077 0.000 0.257 115 G HA3 0.122 4.128 3.960 0.077 0.000 0.257 115 G C 0.406 175.308 174.900 0.004 0.000 0.983 115 G CA 0.354 45.455 45.100 0.002 0.000 0.676 115 G HN 1.980 nan 8.290 nan 0.000 0.528 116 A N -0.266 122.557 122.820 0.004 0.000 2.511 116 A HA 0.522 4.888 4.320 0.077 0.000 0.242 116 A C 0.598 178.189 177.584 0.010 0.000 1.069 116 A CA 0.646 52.688 52.037 0.007 0.000 0.763 116 A CB 0.133 19.136 19.000 0.006 0.000 1.001 116 A HN 0.890 nan 8.150 nan 0.000 0.498 117 N N 0.938 119.646 118.700 0.013 0.000 2.458 117 N HA 0.107 4.893 4.740 0.077 0.000 0.258 117 N C 0.511 176.033 175.510 0.020 0.000 1.219 117 N CA 1.142 54.202 53.050 0.016 0.000 0.902 117 N CB 0.166 38.664 38.487 0.019 0.000 1.076 117 N HN 0.786 nan 8.380 nan 0.000 0.455 118 Q N 0.527 120.339 119.800 0.020 0.000 2.453 118 Q HA -0.269 4.117 4.340 0.077 0.000 0.294 118 Q C -1.621 174.393 176.000 0.022 0.000 1.295 118 Q CA 0.787 56.605 55.803 0.024 0.000 0.853 118 Q CB -1.401 27.356 28.738 0.032 0.000 1.193 118 Q HN 0.601 nan 8.270 nan 0.000 0.461 119 A N 1.100 123.929 122.820 0.015 0.000 2.319 119 A HA 0.771 5.137 4.320 0.077 0.000 0.310 119 A C -0.217 177.368 177.584 0.002 0.000 1.152 119 A CA -0.383 51.660 52.037 0.010 0.000 0.783 119 A CB 0.782 19.787 19.000 0.008 0.000 1.184 119 A HN 0.622 nan 8.150 nan 0.000 0.474 120 I N -1.173 119.394 120.570 -0.005 0.000 3.239 120 I HA 0.677 4.893 4.170 0.077 0.000 0.314 120 I C -0.339 175.763 176.117 -0.025 0.000 1.126 120 I CA -1.452 59.838 61.300 -0.016 0.000 0.973 120 I CB 1.848 39.835 38.000 -0.022 0.000 1.252 120 I HN 0.485 nan 8.210 nan 0.000 0.463 121 R N 1.920 122.400 120.500 -0.034 0.000 2.272 121 R HA 0.245 4.631 4.340 0.077 0.000 0.334 121 R C 0.027 176.287 176.300 -0.066 0.000 1.117 121 R CA -0.042 56.034 56.100 -0.039 0.000 0.966 121 R CB 0.862 31.143 30.300 -0.033 0.000 1.049 121 R HN 0.702 nan 8.270 nan 0.000 0.477 122 Q N 1.718 121.483 119.800 -0.058 0.000 2.390 122 Q HA 0.102 4.488 4.340 0.077 0.000 0.216 122 Q C -1.586 174.391 176.000 -0.037 0.000 0.916 122 Q CA -0.166 55.587 55.803 -0.082 0.000 0.911 122 Q CB -0.102 28.614 28.738 -0.037 0.000 1.035 122 Q HN 0.400 nan 8.270 nan 0.000 0.541 123 P HA 0.090 nan 4.420 nan 0.000 0.262 123 P C -0.063 177.236 177.300 -0.002 0.000 1.199 123 P CA 1.225 64.328 63.100 0.004 0.000 0.763 123 P CB 0.608 32.302 31.700 -0.011 0.000 0.790 127 A N 1.206 124.156 122.820 0.218 0.000 5.395 127 A HA -0.425 3.941 4.320 0.077 0.000 0.324 127 A C 1.659 179.322 177.584 0.131 0.000 1.813 127 A CA 2.253 54.393 52.037 0.171 0.000 0.714 127 A CB -1.967 17.153 19.000 0.199 0.000 1.374 127 A HN 0.974 nan 8.150 nan 0.000 0.390 128 S N -0.989 114.711 115.700 0.001 0.000 2.603 128 S HA 0.094 4.610 4.470 0.077 0.000 0.220 128 S C 1.245 175.764 174.600 -0.135 0.000 0.967 128 S CA 0.988 59.130 58.200 -0.095 0.000 0.920 128 S CB -0.439 62.658 63.200 -0.171 0.000 0.773 128 S HN 0.706 nan 8.310 nan 0.000 0.529 129 H N 2.051 121.226 119.070 0.176 0.000 2.436 129 H HA 0.212 4.813 4.556 0.076 0.000 0.294 129 H C -1.685 173.690 175.328 0.080 0.000 1.048 129 H CA -0.012 56.117 56.048 0.134 0.000 1.353 129 H CB -1.518 28.363 29.762 0.199 0.000 1.414 129 H HN 0.419 nan 8.280 nan 0.000 0.536 130 P HA 0.049 nan 4.420 nan 0.000 0.272 130 P C 0.898 178.227 177.300 0.048 0.000 1.230 130 P CA 0.252 63.429 63.100 0.129 0.000 0.788 130 P CB 0.988 32.817 31.700 0.216 0.000 0.949 131 T N -0.563 113.970 114.554 -0.034 0.000 2.732 131 T HA -0.043 4.353 4.350 0.077 0.000 0.261 131 T C 0.479 175.035 174.700 -0.241 0.000 1.040 131 T CA 1.452 63.440 62.100 -0.186 0.000 1.145 131 T CB -0.413 68.264 68.868 -0.318 0.000 0.866 131 T HN 0.443 nan 8.240 nan 0.000 0.427 132 H N 0.351 119.452 119.070 0.052 0.000 2.524 132 H HA 0.631 5.233 4.556 0.077 0.000 0.353 132 H C -0.844 174.532 175.328 0.080 0.000 1.136 132 H CA -0.735 55.343 56.048 0.051 0.000 1.193 132 H CB 1.598 31.366 29.762 0.010 0.000 1.558 132 H HN 0.040 nan 8.280 nan 0.000 0.515 133 S N 3.051 118.876 115.700 0.208 0.000 2.659 133 S HA 0.461 4.977 4.470 0.077 0.000 0.312 133 S C 0.180 174.812 174.600 0.052 0.000 1.114 133 S CA -0.651 57.627 58.200 0.131 0.000 1.063 133 S CB 0.592 63.879 63.200 0.146 0.000 0.996 133 S HN 0.364 nan 8.310 nan 0.000 0.478 134 I N 2.222 122.778 120.570 -0.024 0.000 2.378 134 I HA 0.406 4.622 4.170 0.077 0.000 0.291 134 I C 0.197 176.261 176.117 -0.089 0.000 0.992 134 I CA -0.378 60.901 61.300 -0.035 0.000 1.154 134 I CB 1.845 39.816 38.000 -0.048 0.000 1.315 134 I HN 0.505 nan 8.210 nan 0.000 0.448 135 S N 7.631 123.319 115.700 -0.020 0.000 2.505 135 S HA 0.502 5.018 4.470 0.077 0.000 0.280 135 S C -0.231 174.408 174.600 0.065 0.000 1.197 135 S CA -0.665 57.520 58.200 -0.025 0.000 1.138 135 S CB -0.047 63.145 63.200 -0.013 0.000 1.010 135 S HN 0.428 nan 8.310 nan 0.000 0.480 136 L N 6.088 127.361 121.223 0.084 0.000 2.483 136 L HA 0.296 4.682 4.340 0.077 0.000 0.276 136 L C -1.524 175.449 176.870 0.173 0.000 1.213 136 L CA -1.437 53.539 54.840 0.227 0.000 0.843 136 L CB 0.049 42.270 42.059 0.269 0.000 1.107 136 L HN 0.452 nan 8.230 nan 0.000 0.487 137 P HA 0.094 nan 4.420 nan 0.000 0.274 137 P C -0.586 176.694 177.300 -0.033 0.000 1.256 137 P CA -0.661 62.478 63.100 0.065 0.000 0.795 137 P CB 0.518 32.230 31.700 0.019 0.000 1.038 138 R N 1.043 121.458 120.500 -0.142 0.000 2.583 138 R HA 0.063 4.449 4.340 0.077 0.000 0.274 138 R C -1.872 174.137 176.300 -0.484 0.000 0.998 138 R CA -0.812 55.126 56.100 -0.270 0.000 1.081 138 R CB -0.644 29.536 30.300 -0.199 0.000 0.940 138 R HN 0.376 nan 8.270 nan 0.000 0.413 139 P HA 0.043 nan 4.420 nan 0.000 0.271 139 P C -0.937 175.966 177.300 -0.663 0.000 1.226 139 P CA 0.143 62.316 63.100 -1.544 0.000 0.765 139 P CB 1.383 32.191 31.700 -1.486 0.000 0.835 140 T N 1.628 115.889 114.554 -0.488 0.000 2.993 140 T HA 0.130 4.526 4.350 0.077 0.000 0.312 140 T C 0.716 175.243 174.700 -0.289 0.000 1.115 140 T CA -0.493 61.395 62.100 -0.353 0.000 1.027 140 T CB 0.998 69.726 68.868 -0.232 0.000 1.116 140 T HN 0.268 nan 8.240 nan 0.000 0.464 141 Q N 1.528 120.897 119.800 -0.719 0.000 2.364 141 Q HA -0.078 4.308 4.340 0.077 0.000 0.209 141 Q C 0.752 176.779 176.000 0.046 0.000 0.977 141 Q CA 1.099 56.580 55.803 -0.537 0.000 0.885 141 Q CB 0.163 28.559 28.738 -0.571 0.000 0.941 141 Q HN 0.665 nan 8.270 nan 0.000 0.464 142 D N 0.307 120.700 120.400 -0.011 0.000 2.348 142 D HA -0.004 4.682 4.640 0.077 0.000 0.216 142 D C 0.329 176.711 176.300 0.137 0.000 0.970 142 D CA 0.730 54.764 54.000 0.057 0.000 0.889 142 D CB 0.283 41.068 40.800 -0.024 0.000 0.912 142 D HN 0.259 nan 8.370 nan 0.000 0.524 143 I N 3.148 123.874 120.570 0.260 0.000 2.312 143 I HA 0.168 4.384 4.170 0.077 0.000 0.290 143 I C -2.182 174.297 176.117 0.604 0.000 1.008 143 I CA -2.164 59.314 61.300 0.296 0.000 1.226 143 I CB 1.952 40.087 38.000 0.226 0.000 1.371 143 I HN -0.304 nan 8.210 nan 0.000 0.468 144 P HA 0.061 nan 4.420 nan 0.000 0.272 144 P C 0.439 177.682 177.300 -0.096 0.000 1.223 144 P CA -0.213 62.971 63.100 0.140 0.000 0.784 144 P CB 1.197 32.897 31.700 -0.000 0.000 0.923 145 A N 4.081 126.369 122.820 -0.885 0.000 1.986 145 A HA -0.244 4.122 4.320 0.077 0.000 0.220 145 A C 2.187 179.308 177.584 -0.772 0.000 1.171 145 A CA 1.835 53.223 52.037 -1.081 0.000 0.640 145 A CB -1.058 17.051 19.000 -1.486 0.000 0.811 145 A HN 0.701 nan 8.150 nan 0.000 0.451 146 R N -1.833 118.219 120.500 -0.746 0.000 2.127 146 R HA -0.213 4.173 4.340 0.077 0.000 0.238 146 R C 2.053 178.075 176.300 -0.463 0.000 1.134 146 R CA 1.699 57.270 56.100 -0.882 0.000 0.975 146 R CB -0.758 29.205 30.300 -0.563 0.000 0.865 146 R HN 0.670 nan 8.270 nan 0.000 0.447 147 W N 1.531 122.635 121.300 -0.327 0.000 2.381 147 W HA -0.097 4.606 4.660 0.071 0.000 0.301 147 W C 1.860 178.242 176.519 -0.228 0.000 1.205 147 W CA 0.742 57.977 57.345 -0.183 0.000 1.285 147 W CB -0.181 29.240 29.460 -0.066 0.000 1.133 147 W HN 0.102 nan 8.180 nan 0.000 0.521 148 L N 0.524 121.655 121.223 -0.153 0.000 2.017 148 L HA -0.136 4.249 4.340 0.077 0.000 0.208 148 L C 2.413 178.944 176.870 -0.565 0.000 1.073 148 L CA 2.168 56.756 54.840 -0.421 0.000 0.745 148 L CB -1.510 40.323 42.059 -0.377 0.000 0.894 148 L HN 0.054 nan 8.230 nan 0.000 0.432 149 V N -1.639 117.908 119.914 -0.611 0.000 2.548 149 V HA -0.174 3.992 4.120 0.077 0.000 0.249 149 V C 2.405 178.250 176.094 -0.414 0.000 1.055 149 V CA 1.850 63.802 62.300 -0.580 0.000 1.065 149 V CB 0.053 31.311 31.823 -0.941 0.000 0.681 149 V HN 0.592 nan 8.190 nan 0.000 0.462 150 S N -0.232 115.206 115.700 -0.437 0.000 2.368 150 S HA -0.174 4.342 4.470 0.077 0.000 0.224 150 S C 1.914 176.331 174.600 -0.304 0.000 1.029 150 S CA 1.927 59.988 58.200 -0.233 0.000 0.988 150 S CB -0.414 62.688 63.200 -0.162 0.000 0.838 150 S HN 0.740 nan 8.310 nan 0.000 0.462 151 T N 2.643 116.841 114.554 -0.594 0.000 2.652 151 T HA -0.039 4.357 4.350 0.077 0.000 0.267 151 T C 1.756 176.259 174.700 -0.328 0.000 1.039 151 T CA 1.320 63.070 62.100 -0.583 0.000 1.153 151 T CB -0.460 67.792 68.868 -1.026 0.000 0.863 151 T HN 0.273 nan 8.240 nan 0.000 0.428 152 I N 1.157 121.532 120.570 -0.326 0.000 2.208 152 I HA -0.195 4.021 4.170 0.077 0.000 0.245 152 I C 2.399 178.399 176.117 -0.195 0.000 1.097 152 I CA 1.240 62.409 61.300 -0.219 0.000 1.363 152 I CB -0.359 37.538 38.000 -0.171 0.000 1.051 152 I HN 0.133 nan 8.210 nan 0.000 0.413 153 D N -0.297 120.047 120.400 -0.094 0.000 2.116 153 D HA -0.272 4.414 4.640 0.077 0.000 0.193 153 D C 1.986 178.259 176.300 -0.044 0.000 0.998 153 D CA 1.760 55.787 54.000 0.044 0.000 0.836 153 D CB -0.367 40.531 40.800 0.162 0.000 0.951 153 D HN 0.492 nan 8.370 nan 0.000 0.449 154 H N 0.516 119.500 119.070 -0.144 0.000 2.293 154 H HA -0.001 4.601 4.556 0.076 0.000 0.300 154 H C 1.874 177.051 175.328 -0.252 0.000 1.082 154 H CA 2.395 58.346 56.048 -0.161 0.000 1.308 154 H CB -0.296 29.359 29.762 -0.179 0.000 1.375 154 H HN 0.038 nan 8.280 nan 0.000 0.495 155 A N 0.349 122.885 122.820 -0.472 0.000 1.892 155 A HA -0.163 4.203 4.320 0.077 0.000 0.218 155 A C 2.427 179.818 177.584 -0.322 0.000 1.188 155 A CA 2.017 53.706 52.037 -0.580 0.000 0.631 155 A CB -0.949 17.886 19.000 -0.275 0.000 0.822 155 A HN 0.452 nan 8.150 nan 0.000 0.447 156 L N -0.793 120.224 121.223 -0.344 0.000 2.095 156 L HA 0.081 4.467 4.340 0.077 0.000 0.204 156 L C 2.814 179.565 176.870 -0.199 0.000 1.080 156 L CA 1.447 56.076 54.840 -0.352 0.000 0.759 156 L CB -0.852 40.734 42.059 -0.788 0.000 0.914 156 L HN 0.403 nan 8.230 nan 0.000 0.439 157 G N -1.047 107.659 108.800 -0.157 0.000 2.469 157 G HA2 -0.319 3.687 3.960 0.077 0.000 0.220 157 G HA3 -0.319 3.687 3.960 0.077 0.000 0.220 157 G C 1.479 176.372 174.900 -0.012 0.000 1.136 157 G CA 1.547 46.663 45.100 0.026 0.000 0.759 157 G HN 0.452 nan 8.290 nan 0.000 0.562 158 T N -1.961 112.529 114.554 -0.107 0.000 3.122 158 T HA 0.406 4.802 4.350 0.077 0.000 0.250 158 T C 0.702 175.480 174.700 0.130 0.000 1.067 158 T CA -0.476 61.611 62.100 -0.023 0.000 0.966 158 T CB 0.174 68.948 68.868 -0.157 0.000 1.002 158 T HN 0.065 nan 8.240 nan 0.000 0.542 159 L N 2.528 123.822 121.223 0.118 0.000 2.342 159 L HA 0.373 4.759 4.340 0.077 0.000 0.285 159 L C 1.220 178.133 176.870 0.071 0.000 1.095 159 L CA -0.158 54.742 54.840 0.100 0.000 0.843 159 L CB 0.419 42.518 42.059 0.067 0.000 1.201 159 L HN 0.273 nan 8.230 nan 0.000 0.445 160 H N 4.569 123.627 119.070 -0.021 0.000 2.333 160 H HA 0.427 5.029 4.556 0.076 0.000 0.302 160 H C 0.323 175.638 175.328 -0.020 0.000 1.075 160 H CA 1.083 57.122 56.048 -0.014 0.000 1.348 160 H CB 0.439 30.190 29.762 -0.017 0.000 1.393 160 H HN 0.699 nan 8.280 nan 0.000 0.509 161 A N -1.846 120.940 122.820 -0.057 0.000 2.564 161 A HA 0.578 4.944 4.320 0.077 0.000 0.291 161 A C 0.212 177.762 177.584 -0.057 0.000 1.102 161 A CA -0.243 51.735 52.037 -0.099 0.000 0.660 161 A CB 0.385 19.321 19.000 -0.106 0.000 1.283 161 A HN 1.021 nan 8.150 nan 0.000 0.430 162 G N -1.248 107.522 108.800 -0.050 0.000 2.750 162 G HA2 0.420 4.426 3.960 0.077 0.000 0.228 162 G HA3 0.420 4.426 3.960 0.077 0.000 0.228 162 G C 0.566 175.442 174.900 -0.041 0.000 1.367 162 G CA 0.093 45.169 45.100 -0.041 0.000 0.871 162 G HN 2.322 nan 8.290 nan 0.000 0.560 163 G N -1.783 106.999 108.800 -0.029 0.000 2.412 163 G HA2 0.716 4.722 3.960 0.077 0.000 0.318 163 G HA3 0.716 4.722 3.960 0.077 0.000 0.318 163 G C -0.578 174.340 174.900 0.030 0.000 1.146 163 G CA 0.169 45.263 45.100 -0.010 0.000 0.882 163 G HN 1.409 nan 8.290 nan 0.000 0.501 164 V N 1.612 121.567 119.914 0.069 0.000 2.495 164 V HA 0.361 4.527 4.120 0.077 0.000 0.298 164 V C -0.434 175.776 176.094 0.192 0.000 1.031 164 V CA -0.803 61.574 62.300 0.129 0.000 0.871 164 V CB 1.529 33.417 31.823 0.107 0.000 0.988 164 V HN 0.880 nan 8.190 nan 0.000 0.432 165 H N 5.816 124.963 119.070 0.128 0.000 2.587 165 H HA 0.568 5.170 4.556 0.077 0.000 0.325 165 H C -1.312 174.093 175.328 0.128 0.000 1.012 165 H CA -0.869 55.279 56.048 0.166 0.000 1.213 165 H CB 1.268 31.211 29.762 0.301 0.000 1.431 165 H HN 0.585 nan 8.280 nan 0.000 0.492 166 I N 5.110 125.670 120.570 -0.017 0.000 2.388 166 I HA 0.060 4.276 4.170 0.077 0.000 0.281 166 I C -0.135 175.908 176.117 -0.122 0.000 1.046 166 I CA -0.631 60.600 61.300 -0.115 0.000 1.187 166 I CB 0.882 38.880 38.000 -0.002 0.000 1.351 166 I HN 0.544 nan 8.210 nan 0.000 0.472 167 N N 4.901 123.418 118.700 -0.305 0.000 2.497 167 N HA 0.213 4.999 4.740 0.077 0.000 0.271 167 N C -1.024 174.458 175.510 -0.046 0.000 1.142 167 N CA 0.026 53.004 53.050 -0.120 0.000 0.965 167 N CB 0.707 39.102 38.487 -0.154 0.000 1.077 167 N HN 0.531 nan 8.380 nan 0.000 0.462 168 C N 6.104 125.390 119.300 -0.024 0.000 2.621 168 C HA 0.400 4.906 4.460 0.077 0.000 0.272 168 C C -2.345 172.411 174.990 -0.390 0.000 1.119 168 C CA -1.455 57.467 59.018 -0.161 0.000 1.593 168 C CB 0.217 27.956 27.740 -0.002 0.000 1.749 168 C HN 0.663 nan 8.230 nan 0.000 0.420 169 P HA 0.213 nan 4.420 nan 0.000 0.267 169 P C -0.726 176.160 177.300 -0.690 0.000 1.205 169 P CA 0.599 63.492 63.100 -0.344 0.000 0.765 169 P CB 0.190 31.757 31.700 -0.222 0.000 0.828 170 F N 1.526 121.451 119.950 -0.042 0.000 2.557 170 F HA 0.571 5.139 4.527 0.068 0.000 0.316 170 F C 0.573 176.326 175.800 -0.079 0.000 1.141 170 F CA -0.994 56.955 58.000 -0.085 0.000 0.922 170 F CB 1.530 40.492 39.000 -0.063 0.000 1.194 170 F HN 0.213 nan 8.300 nan 0.000 0.443 171 A N 2.139 124.998 122.820 0.065 0.000 2.296 171 A HA 0.520 4.885 4.320 0.077 0.000 0.264 171 A C -0.253 177.350 177.584 0.032 0.000 1.097 171 A CA -0.428 51.623 52.037 0.024 0.000 0.811 171 A CB 0.523 19.509 19.000 -0.022 0.000 1.072 171 A HN 0.785 nan 8.150 nan 0.000 0.495 172 E N 1.255 121.462 120.200 0.011 0.000 2.207 172 E HA 0.531 4.926 4.350 0.077 0.000 0.250 172 E C -2.866 173.734 176.600 0.000 0.000 0.890 172 E CA -1.547 54.853 56.400 -0.001 0.000 0.749 172 E CB 1.017 30.724 29.700 0.011 0.000 1.193 172 E HN 0.321 nan 8.360 nan 0.000 0.423 173 P HA 0.326 nan 4.420 nan 0.000 0.305 173 P C 0.158 177.417 177.300 -0.068 0.000 1.387 173 P CA -0.613 62.486 63.100 -0.001 0.000 0.903 173 P CB 1.567 33.275 31.700 0.013 0.000 0.979 174 L N 1.231 122.362 121.223 -0.152 0.000 2.354 174 L HA 0.147 4.533 4.340 0.077 0.000 0.212 174 L C 0.061 176.560 176.870 -0.618 0.000 1.091 174 L CA 0.635 55.206 54.840 -0.449 0.000 0.828 174 L CB -0.161 41.489 42.059 -0.681 0.000 0.973 174 L HN 0.382 nan 8.230 nan 0.000 0.461 175 Y N -0.522 119.765 120.300 -0.021 0.000 2.587 175 Y HA 0.751 5.349 4.550 0.080 0.000 0.337 175 Y C 0.653 176.547 175.900 -0.010 0.000 1.065 175 Y CA -0.693 57.396 58.100 -0.018 0.000 1.126 175 Y CB 1.717 40.169 38.460 -0.013 0.000 1.279 175 Y HN -0.076 nan 8.280 nan 0.000 0.489 176 G N 0.535 109.423 108.800 0.148 0.000 2.359 176 G HA2 0.208 4.214 3.960 0.077 0.000 0.293 176 G HA3 0.208 4.214 3.960 0.077 0.000 0.293 176 G C -1.681 173.253 174.900 0.057 0.000 1.300 176 G CA -1.154 43.995 45.100 0.082 0.000 0.888 176 G HN 0.524 nan 8.290 nan 0.000 0.541 180 D N 1.009 121.435 120.400 0.044 0.000 2.652 180 D HA 0.131 4.817 4.640 0.077 0.000 0.247 180 D C -0.198 176.155 176.300 0.087 0.000 1.232 180 D CA -0.197 53.838 54.000 0.058 0.000 0.863 180 D CB -0.665 40.162 40.800 0.044 0.000 1.023 180 D HN 0.307 nan 8.370 nan 0.000 0.474 181 T N 0.137 114.747 114.554 0.094 0.000 2.871 181 T HA 0.384 4.780 4.350 0.077 0.000 0.296 181 T C 1.621 176.463 174.700 0.236 0.000 0.998 181 T CA 0.556 62.732 62.100 0.127 0.000 1.162 181 T CB 0.823 69.757 68.868 0.110 0.000 0.947 181 T HN 0.553 nan 8.240 nan 0.000 0.536 182 G N 2.239 111.218 108.800 0.297 0.000 2.179 182 G HA2 -0.252 3.754 3.960 0.077 0.000 0.260 182 G HA3 -0.252 3.754 3.960 0.077 0.000 0.260 182 G C 0.777 175.950 174.900 0.455 0.000 0.977 182 G CA 0.225 45.635 45.100 0.516 0.000 0.641 182 G HN 0.655 nan 8.290 nan 0.000 0.533 183 L N 0.816 122.200 121.223 0.268 0.000 2.027 183 L HA 0.055 4.441 4.340 0.077 0.000 0.206 183 L C 2.449 179.435 176.870 0.194 0.000 1.074 183 L CA 2.993 57.938 54.840 0.175 0.000 0.745 183 L CB -1.076 41.039 42.059 0.093 0.000 0.898 183 L HN 0.322 nan 8.230 nan 0.000 0.433 184 S N -0.549 115.276 115.700 0.207 0.000 2.359 184 S HA -0.289 4.227 4.470 0.077 0.000 0.222 184 S C 1.573 176.332 174.600 0.265 0.000 1.038 184 S CA 2.044 60.363 58.200 0.198 0.000 1.051 184 S CB -0.640 62.669 63.200 0.180 0.000 0.944 184 S HN 0.685 nan 8.310 nan 0.000 0.433 185 W N 1.954 123.351 121.300 0.162 0.000 2.317 185 W HA -0.231 4.489 4.660 0.101 0.000 0.318 185 W C 2.436 179.082 176.519 0.213 0.000 1.227 185 W CA 1.997 59.465 57.345 0.205 0.000 1.269 185 W CB -0.699 28.959 29.460 0.330 0.000 1.155 185 W HN 0.374 nan 8.180 nan 0.000 0.484 186 Q N -0.489 119.567 119.800 0.427 0.000 2.181 186 Q HA -0.294 4.092 4.340 0.077 0.000 0.205 186 Q C 2.210 178.400 176.000 0.317 0.000 0.980 186 Q CA 1.887 57.882 55.803 0.321 0.000 0.862 186 Q CB -0.363 28.570 28.738 0.326 0.000 0.905 186 Q HN 0.515 nan 8.270 nan 0.000 0.429 187 Q N -0.292 119.627 119.800 0.198 0.000 2.378 187 Q HA -0.038 4.348 4.340 0.077 0.000 0.205 187 Q C 1.528 177.631 176.000 0.171 0.000 0.954 187 Q CA 0.360 56.278 55.803 0.192 0.000 0.901 187 Q CB 0.209 29.017 28.738 0.117 0.000 0.981 187 Q HN 0.208 nan 8.270 nan 0.000 0.483 188 R N 0.006 120.548 120.500 0.070 0.000 2.341 188 R HA -0.078 4.308 4.340 0.077 0.000 0.213 188 R C 1.495 177.796 176.300 0.002 0.000 1.082 188 R CA 0.613 56.721 56.100 0.014 0.000 1.017 188 R CB -0.042 30.211 30.300 -0.079 0.000 0.860 188 R HN 0.291 nan 8.270 nan 0.000 0.473 189 L N -0.468 120.761 121.223 0.010 0.000 2.492 189 L HA 0.081 4.467 4.340 0.077 0.000 0.223 189 L C 1.422 178.488 176.870 0.327 0.000 1.132 189 L CA 0.319 55.125 54.840 -0.056 0.000 0.850 189 L CB -0.621 41.218 42.059 -0.367 0.000 0.966 189 L HN 0.360 nan 8.230 nan 0.000 0.454 190 G N 2.050 111.053 108.800 0.338 0.000 2.582 190 G HA2 -0.436 3.569 3.960 0.077 0.000 0.288 190 G HA3 -0.436 3.569 3.960 0.077 0.000 0.288 190 G C 0.363 175.505 174.900 0.403 0.000 1.247 190 G CA 0.533 45.829 45.100 0.326 0.000 0.972 190 G HN 0.541 nan 8.290 nan 0.000 0.557 191 D N -0.521 120.058 120.400 0.297 0.000 2.363 191 D HA 0.036 4.722 4.640 0.077 0.000 0.226 191 D C 1.645 178.094 176.300 0.249 0.000 1.020 191 D CA 1.146 55.295 54.000 0.248 0.000 0.892 191 D CB -0.428 40.459 40.800 0.145 0.000 0.900 191 D HN 0.629 nan 8.370 nan 0.000 0.531 192 W N 0.700 122.073 121.300 0.122 0.000 2.296 192 W HA -0.237 4.466 4.660 0.072 0.000 0.296 192 W C 1.062 177.561 176.519 -0.034 0.000 1.220 192 W CA 1.546 58.917 57.345 0.044 0.000 1.223 192 W CB -0.471 29.060 29.460 0.119 0.000 1.139 192 W HN 0.049 nan 8.180 nan 0.000 0.534 193 W N -0.235 121.127 121.300 0.103 0.000 2.392 193 W HA -0.153 4.555 4.660 0.079 0.000 0.279 193 W C 2.197 178.577 176.519 -0.232 0.000 1.225 193 W CA 1.397 58.665 57.345 -0.129 0.000 1.233 193 W CB -0.679 28.820 29.460 0.066 0.000 1.122 193 W HN -0.073 nan 8.180 nan 0.000 0.561 194 Q N -0.576 119.258 119.800 0.058 0.000 2.319 194 Q HA 0.034 4.419 4.340 0.077 0.000 0.202 194 Q C 0.270 176.204 176.000 -0.110 0.000 0.896 194 Q CA 0.341 56.135 55.803 -0.015 0.000 0.942 194 Q CB 0.058 28.817 28.738 0.035 0.000 1.083 194 Q HN 0.009 nan 8.270 nan 0.000 0.510 195 D N 0.121 120.394 120.400 -0.212 0.000 2.411 195 D HA 0.008 4.694 4.640 0.077 0.000 0.251 195 D C 0.270 176.387 176.300 -0.304 0.000 1.201 195 D CA -0.050 53.814 54.000 -0.228 0.000 0.996 195 D CB 0.885 41.566 40.800 -0.198 0.000 1.101 195 D HN 0.074 nan 8.370 nan 0.000 0.504 196 D N -0.605 119.662 120.400 -0.221 0.000 2.469 196 D HA 0.072 4.757 4.640 0.077 0.000 0.213 196 D C -0.186 176.004 176.300 -0.184 0.000 1.135 196 D CA -0.048 53.829 54.000 -0.205 0.000 0.834 196 D CB 0.080 40.796 40.800 -0.140 0.000 1.009 196 D HN 0.145 nan 8.370 nan 0.000 0.507 197 K N 0.676 120.979 120.400 -0.162 0.000 2.132 197 K HA 0.555 4.920 4.320 0.077 0.000 0.241 197 K C -2.641 173.931 176.600 -0.047 0.000 1.000 197 K CA -1.912 54.313 56.287 -0.105 0.000 0.911 197 K CB 1.058 33.526 32.500 -0.054 0.000 1.093 197 K HN -0.077 nan 8.250 nan 0.000 0.460 198 P HA -0.015 nan 4.420 nan 0.000 0.278 198 P C -0.003 177.508 177.300 0.352 0.000 1.258 198 P CA -0.552 62.649 63.100 0.169 0.000 0.811 198 P CB 0.491 32.157 31.700 -0.055 0.000 1.063 199 W N 2.972 124.423 121.300 0.252 0.000 2.333 199 W HA -0.042 4.670 4.660 0.087 0.000 0.316 199 W C -0.455 176.031 176.519 -0.056 0.000 1.215 199 W CA 1.249 58.553 57.345 -0.067 0.000 1.278 199 W CB -0.162 28.956 29.460 -0.571 0.000 1.154 199 W HN 0.167 nan 8.180 nan 0.000 0.486 200 L N 2.752 124.049 121.223 0.123 0.000 2.287 200 L HA 0.402 4.788 4.340 0.077 0.000 0.287 200 L C -0.355 176.552 176.870 0.061 0.000 1.022 200 L CA -0.458 54.395 54.840 0.021 0.000 0.814 200 L CB 1.254 43.369 42.059 0.093 0.000 1.217 200 L HN -0.124 nan 8.230 nan 0.000 0.420 201 R N 4.364 124.871 120.500 0.012 0.000 2.196 201 R HA 0.241 4.627 4.340 0.077 0.000 0.340 201 R C -0.551 175.772 176.300 0.039 0.000 1.043 201 R CA -0.155 55.962 56.100 0.029 0.000 0.883 201 R CB 0.844 31.142 30.300 -0.004 0.000 1.078 201 R HN 0.512 nan 8.270 nan 0.000 0.462 202 E N 2.528 122.770 120.200 0.070 0.000 2.580 202 E HA 0.311 4.707 4.350 0.077 0.000 0.248 202 E C -1.506 175.130 176.600 0.060 0.000 1.018 202 E CA -0.382 56.056 56.400 0.064 0.000 0.775 202 E CB 1.257 31.009 29.700 0.088 0.000 1.378 202 E HN 0.690 nan 8.360 nan 0.000 0.401 203 A N 5.212 128.063 122.820 0.052 0.000 3.159 203 A HA 0.388 4.754 4.320 0.077 0.000 0.330 203 A C -2.285 175.328 177.584 0.048 0.000 1.032 203 A CA -1.048 51.021 52.037 0.054 0.000 0.841 203 A CB 0.179 19.214 19.000 0.059 0.000 1.093 203 A HN 0.425 nan 8.150 nan 0.000 0.478 204 P HA 0.219 nan 4.420 nan 0.000 0.271 204 P C -0.451 176.879 177.300 0.049 0.000 1.216 204 P CA -0.180 62.945 63.100 0.042 0.000 0.776 204 P CB 0.758 32.482 31.700 0.040 0.000 0.881 205 R N 1.797 122.323 120.500 0.043 0.000 2.357 205 R HA 0.351 4.737 4.340 0.077 0.000 0.296 205 R C -0.530 175.786 176.300 0.026 0.000 1.052 205 R CA -0.822 55.310 56.100 0.052 0.000 0.988 205 R CB 0.440 30.767 30.300 0.046 0.000 1.025 205 R HN 0.368 nan 8.270 nan 0.000 0.469 206 L N 3.671 124.900 121.223 0.011 0.000 2.276 206 L HA 0.394 4.780 4.340 0.077 0.000 0.286 206 L C -1.006 175.822 176.870 -0.069 0.000 1.024 206 L CA 0.242 55.026 54.840 -0.094 0.000 0.826 206 L CB 1.102 42.980 42.059 -0.301 0.000 1.211 206 L HN 0.690 nan 8.230 nan 0.000 0.422 207 E N 2.591 122.773 120.200 -0.029 0.000 2.354 207 E HA 0.400 4.796 4.350 0.077 0.000 0.283 207 E C -1.251 175.365 176.600 0.026 0.000 0.938 207 E CA -0.506 55.904 56.400 0.017 0.000 0.777 207 E CB 1.595 31.326 29.700 0.052 0.000 1.222 207 E HN 0.615 nan 8.360 nan 0.000 0.423 208 S N 2.080 117.809 115.700 0.048 0.000 2.576 208 S HA 0.116 4.632 4.470 0.077 0.000 0.276 208 S C 0.041 174.701 174.600 0.101 0.000 1.339 208 S CA -0.391 57.845 58.200 0.061 0.000 1.039 208 S CB 0.912 64.149 63.200 0.060 0.000 0.902 208 S HN 0.437 nan 8.310 nan 0.000 0.516 209 E N 1.120 121.370 120.200 0.085 0.000 2.397 209 E HA 0.108 4.504 4.350 0.077 0.000 0.254 209 E C 0.194 176.883 176.600 0.147 0.000 1.231 209 E CA -0.479 55.976 56.400 0.091 0.000 0.954 209 E CB 0.429 30.171 29.700 0.069 0.000 1.024 209 E HN 0.310 nan 8.360 nan 0.000 0.481 210 K N 1.810 122.277 120.400 0.113 0.000 2.451 210 K HA -0.054 4.312 4.320 0.077 0.000 0.280 210 K C -0.647 176.123 176.600 0.284 0.000 1.020 210 K CA 0.042 56.418 56.287 0.148 0.000 1.008 210 K CB 0.505 32.995 32.500 -0.017 0.000 0.917 210 K HN 0.341 nan 8.250 nan 0.000 0.478 211 Q N 4.217 124.336 119.800 0.531 0.000 2.324 211 Q HA 0.041 4.427 4.340 0.077 0.000 0.257 211 Q C 0.663 176.976 176.000 0.522 0.000 1.080 211 Q CA 0.324 56.384 55.803 0.430 0.000 0.907 211 Q CB 0.614 29.582 28.738 0.385 0.000 1.274 211 Q HN 0.469 nan 8.270 nan 0.000 0.434 212 R N 1.422 122.162 120.500 0.401 0.000 2.236 212 R HA -0.094 4.292 4.340 0.077 0.000 0.208 212 R C 0.457 177.117 176.300 0.601 0.000 1.036 212 R CA 1.025 57.354 56.100 0.381 0.000 1.001 212 R CB 0.445 30.883 30.300 0.231 0.000 0.896 212 R HN 0.561 nan 8.270 nan 0.000 0.464 213 D N -0.807 120.018 120.400 0.708 0.000 2.342 213 D HA -0.141 4.545 4.640 0.077 0.000 0.221 213 D C 1.244 178.100 176.300 0.926 0.000 1.101 213 D CA -0.277 54.211 54.000 0.813 0.000 0.837 213 D CB -0.658 40.552 40.800 0.683 0.000 0.938 213 D HN 0.295 nan 8.370 nan 0.000 0.508 214 W N 1.661 123.440 121.300 0.799 0.000 2.342 214 W HA -0.276 4.430 4.660 0.077 0.000 0.297 214 W C 1.111 177.938 176.519 0.514 0.000 1.213 214 W CA 1.281 59.058 57.345 0.721 0.000 1.251 214 W CB -0.246 29.610 29.460 0.661 0.000 1.136 214 W HN 0.065 nan 8.180 nan 0.000 0.526 215 F N -0.026 119.998 119.950 0.123 0.000 2.269 215 F HA -0.114 4.459 4.527 0.076 0.000 0.301 215 F C 1.976 177.715 175.800 -0.101 0.000 1.082 215 F CA 1.149 59.091 58.000 -0.097 0.000 1.360 215 F CB -2.031 36.992 39.000 0.037 0.000 1.041 215 F HN -0.048 nan 8.300 nan 0.000 0.512 216 F N -0.375 118.937 119.950 -1.063 0.000 2.149 216 F HA 0.020 4.593 4.527 0.076 0.000 0.294 216 F C 1.814 177.257 175.800 -0.595 0.000 1.095 216 F CA 1.092 58.532 58.000 -0.934 0.000 1.276 216 F CB -0.614 37.770 39.000 -1.026 0.000 1.023 216 F HN -0.068 nan 8.300 nan 0.000 0.480 217 W N 1.890 122.876 121.300 -0.523 0.000 2.436 217 W HA -0.035 4.671 4.660 0.077 0.000 0.284 217 W C 2.625 178.823 176.519 -0.535 0.000 1.225 217 W CA 1.087 58.104 57.345 -0.546 0.000 1.271 217 W CB -0.337 29.065 29.460 -0.096 0.000 1.114 217 W HN -0.038 nan 8.180 nan 0.000 0.559 218 R N 1.182 121.239 120.500 -0.739 0.000 2.293 218 R HA -0.162 4.223 4.340 0.077 0.000 0.219 218 R C 1.079 177.124 176.300 -0.424 0.000 1.091 218 R CA 1.497 56.989 56.100 -1.013 0.000 1.004 218 R CB -0.552 28.759 30.300 -1.648 0.000 0.865 218 R HN 0.330 nan 8.270 nan 0.000 0.469 219 Q N 0.349 119.941 119.800 -0.348 0.000 2.384 219 Q HA 0.138 4.524 4.340 0.077 0.000 0.207 219 Q C 0.056 175.963 176.000 -0.155 0.000 0.904 219 Q CA 0.051 55.714 55.803 -0.233 0.000 0.933 219 Q CB 0.491 29.052 28.738 -0.294 0.000 1.077 219 Q HN 0.192 nan 8.270 nan 0.000 0.522 220 K N 1.461 121.745 120.400 -0.193 0.000 2.132 220 K HA 0.170 4.536 4.320 0.077 0.000 0.240 220 K C 0.208 176.625 176.600 -0.306 0.000 1.036 220 K CA -0.253 55.864 56.287 -0.284 0.000 0.888 220 K CB 0.463 32.762 32.500 -0.335 0.000 1.071 220 K HN -0.008 nan 8.250 nan 0.000 0.502 221 R N 0.876 121.038 120.500 -0.563 0.000 2.387 221 R HA 0.085 4.471 4.340 0.077 0.000 0.321 221 R C 0.398 176.021 176.300 -1.129 0.000 1.174 221 R CA -0.012 55.469 56.100 -1.032 0.000 1.002 221 R CB -0.180 29.315 30.300 -1.341 0.000 1.028 221 R HN 0.621 nan 8.270 nan 0.000 0.482 222 G N 1.151 108.916 108.800 -1.724 0.000 2.491 222 G HA2 0.520 4.526 3.960 0.077 0.000 0.327 222 G HA3 0.520 4.526 3.960 0.077 0.000 0.327 222 G C -0.958 173.406 174.900 -0.893 0.000 1.189 222 G CA -0.402 43.372 45.100 -2.210 0.000 0.956 222 G HN 0.305 nan 8.290 nan 0.000 0.491 223 V N -0.057 119.625 119.914 -0.387 0.000 2.709 223 V HA 0.419 4.585 4.120 0.077 0.000 0.308 223 V C -0.403 175.827 176.094 0.226 0.000 1.062 223 V CA -0.678 61.680 62.300 0.097 0.000 0.901 223 V CB 1.945 33.873 31.823 0.177 0.000 1.003 223 V HN 0.546 nan 8.190 nan 0.000 0.425 224 V N 5.165 125.285 119.914 0.345 0.000 2.370 224 V HA 0.451 4.617 4.120 0.077 0.000 0.279 224 V C -0.064 176.155 176.094 0.208 0.000 1.029 224 V CA -0.525 61.982 62.300 0.345 0.000 0.870 224 V CB 1.584 33.686 31.823 0.464 0.000 0.984 224 V HN 0.613 nan 8.190 nan 0.000 0.451 225 V N 3.834 123.846 119.914 0.164 0.000 2.472 225 V HA 0.816 4.982 4.120 0.077 0.000 0.290 225 V C 0.394 176.548 176.094 0.100 0.000 1.037 225 V CA -0.425 61.953 62.300 0.131 0.000 0.908 225 V CB 1.628 33.556 31.823 0.174 0.000 0.985 225 V HN 0.982 nan 8.190 nan 0.000 0.454 226 A N 3.307 126.170 122.820 0.072 0.000 2.375 226 A HA 0.824 5.190 4.320 0.077 0.000 0.291 226 A C 0.305 177.899 177.584 0.017 0.000 1.160 226 A CA 0.080 52.140 52.037 0.038 0.000 0.747 226 A CB 1.074 20.099 19.000 0.043 0.000 1.170 226 A HN 0.977 nan 8.150 nan 0.000 0.458 227 G N 0.735 109.538 108.800 0.005 0.000 2.829 227 G HA2 0.428 4.434 3.960 0.077 0.000 0.173 227 G HA3 0.428 4.434 3.960 0.077 0.000 0.173 227 G C 0.542 175.426 174.900 -0.028 0.000 1.476 227 G CA -0.546 44.549 45.100 -0.008 0.000 1.072 227 G HN 0.862 nan 8.290 nan 0.000 0.577 231 A N 1.645 124.415 122.820 -0.084 0.000 1.892 231 A HA -0.093 4.273 4.320 0.077 0.000 0.218 231 A C 1.946 179.504 177.584 -0.043 0.000 1.188 231 A CA 2.101 54.092 52.037 -0.077 0.000 0.631 231 A CB -1.018 17.924 19.000 -0.097 0.000 0.822 231 A HN 0.843 nan 8.150 nan 0.000 0.447 232 E N -0.138 120.042 120.200 -0.033 0.000 2.106 232 E HA -0.155 4.240 4.350 0.077 0.000 0.192 232 E C 1.891 178.481 176.600 -0.016 0.000 0.984 232 E CA 1.263 57.651 56.400 -0.020 0.000 0.806 232 E CB -0.486 29.205 29.700 -0.014 0.000 0.750 232 E HN 0.788 nan 8.360 nan 0.000 0.458 233 E N 0.134 120.319 120.200 -0.024 0.000 2.097 233 E HA -0.160 4.236 4.350 0.077 0.000 0.196 233 E C 2.094 178.679 176.600 -0.025 0.000 1.000 233 E CA 1.122 57.504 56.400 -0.030 0.000 0.804 233 E CB -0.334 29.342 29.700 -0.040 0.000 0.740 233 E HN 0.337 nan 8.360 nan 0.000 0.454 234 G N 1.202 109.987 108.800 -0.024 0.000 2.469 234 G HA2 -0.313 3.693 3.960 0.077 0.000 0.219 234 G HA3 -0.313 3.693 3.960 0.077 0.000 0.219 234 G C 1.457 176.363 174.900 0.010 0.000 1.150 234 G CA 0.901 45.994 45.100 -0.011 0.000 0.763 234 G HN 0.137 nan 8.290 nan 0.000 0.561 235 K N 0.184 120.590 120.400 0.009 0.000 2.057 235 K HA -0.001 4.365 4.320 0.077 0.000 0.206 235 K C 2.630 179.255 176.600 0.042 0.000 1.050 235 K CA 1.076 57.377 56.287 0.023 0.000 0.935 235 K CB -0.092 32.417 32.500 0.015 0.000 0.715 235 K HN 0.205 nan 8.250 nan 0.000 0.439 236 K N 0.417 120.837 120.400 0.033 0.000 2.057 236 K HA -0.108 4.258 4.320 0.077 0.000 0.207 236 K C 2.010 178.665 176.600 0.092 0.000 1.049 236 K CA 1.169 57.485 56.287 0.050 0.000 0.931 236 K CB -0.128 32.378 32.500 0.011 0.000 0.714 236 K HN -0.080 nan 8.250 nan 0.000 0.440 237 V N 1.444 121.391 119.914 0.056 0.000 2.343 237 V HA -0.285 3.881 4.120 0.077 0.000 0.247 237 V C 2.329 178.554 176.094 0.220 0.000 1.051 237 V CA 2.060 64.425 62.300 0.108 0.000 1.036 237 V CB -0.675 31.172 31.823 0.040 0.000 0.654 237 V HN 0.388 nan 8.190 nan 0.000 0.451 238 A N -0.324 122.580 122.820 0.140 0.000 1.877 238 A HA -0.165 4.201 4.320 0.077 0.000 0.216 238 A C 2.213 179.877 177.584 0.135 0.000 1.186 238 A CA 1.850 53.961 52.037 0.124 0.000 0.620 238 A CB -0.521 18.523 19.000 0.073 0.000 0.822 238 A HN 0.495 nan 8.150 nan 0.000 0.443 239 L N -2.807 118.497 121.223 0.135 0.000 2.056 239 L HA -0.191 4.195 4.340 0.077 0.000 0.207 239 L C 2.528 179.495 176.870 0.163 0.000 1.078 239 L CA 1.563 56.475 54.840 0.119 0.000 0.749 239 L CB -0.539 41.582 42.059 0.103 0.000 0.901 239 L HN 0.737 nan 8.230 nan 0.000 0.433 240 W N 0.977 122.290 121.300 0.022 0.000 2.315 240 W HA -0.305 4.401 4.660 0.077 0.000 0.323 240 W C 2.630 179.147 176.519 -0.004 0.000 1.233 240 W CA 2.380 59.740 57.345 0.025 0.000 1.267 240 W CB -0.276 29.221 29.460 0.062 0.000 1.160 240 W HN 0.125 nan 8.180 nan 0.000 0.474 241 A N -0.183 122.804 122.820 0.278 0.000 1.883 241 A HA -0.325 4.041 4.320 0.077 0.000 0.217 241 A C 2.017 179.582 177.584 -0.032 0.000 1.186 241 A CA 2.088 54.186 52.037 0.102 0.000 0.624 241 A CB -1.321 17.828 19.000 0.248 0.000 0.822 241 A HN 0.564 nan 8.150 nan 0.000 0.444 242 Q N -0.944 118.865 119.800 0.015 0.000 2.045 242 Q HA -0.209 4.177 4.340 0.077 0.000 0.206 242 Q C 2.190 178.142 176.000 -0.081 0.000 0.991 242 Q CA 2.513 58.304 55.803 -0.019 0.000 0.851 242 Q CB -0.406 28.334 28.738 0.004 0.000 0.911 242 Q HN 0.659 nan 8.270 nan 0.000 0.418 243 T N 1.692 116.179 114.554 -0.111 0.000 2.665 243 T HA -0.185 4.211 4.350 0.077 0.000 0.268 243 T C 1.848 176.393 174.700 -0.260 0.000 1.035 243 T CA 1.489 63.493 62.100 -0.160 0.000 1.151 243 T CB -0.312 68.462 68.868 -0.158 0.000 0.862 243 T HN 0.265 nan 8.240 nan 0.000 0.438 244 L N 0.307 121.257 121.223 -0.455 0.000 2.131 244 L HA 0.030 4.416 4.340 0.077 0.000 0.210 244 L C 2.228 178.911 176.870 -0.311 0.000 1.092 244 L CA 1.067 55.498 54.840 -0.682 0.000 0.759 244 L CB -0.801 40.364 42.059 -1.490 0.000 0.903 244 L HN 0.589 nan 8.230 nan 0.000 0.435 245 G N -2.175 106.558 108.800 -0.113 0.000 2.143 245 G HA2 -0.232 3.774 3.960 0.077 0.000 0.249 245 G HA3 -0.232 3.774 3.960 0.077 0.000 0.249 245 G C -0.276 174.782 174.900 0.264 0.000 0.981 245 G CA -0.388 44.754 45.100 0.069 0.000 0.665 245 G HN 0.139 nan 8.290 nan 0.000 0.528 246 W N 1.640 122.944 121.300 0.006 0.000 2.272 246 W HA 0.529 5.235 4.660 0.076 0.000 0.318 246 W C -1.586 174.895 176.519 -0.063 0.000 1.255 246 W CA -2.951 54.435 57.345 0.068 0.000 1.200 246 W CB 0.088 29.621 29.460 0.122 0.000 1.170 246 W HN 0.022 nan 8.180 nan 0.000 0.549 247 P HA 0.027 nan 4.420 nan 0.000 0.268 247 P C -0.717 176.636 177.300 0.088 0.000 1.204 247 P CA -0.145 62.913 63.100 -0.069 0.000 0.768 247 P CB 1.013 32.564 31.700 -0.248 0.000 0.842 248 L N 4.914 126.189 121.223 0.087 0.000 2.298 248 L HA 0.426 4.812 4.340 0.077 0.000 0.284 248 L C -0.510 176.431 176.870 0.120 0.000 1.013 248 L CA -0.546 54.372 54.840 0.130 0.000 0.824 248 L CB 0.386 42.527 42.059 0.135 0.000 1.221 248 L HN 0.208 nan 8.230 nan 0.000 0.418 249 I N 5.598 126.230 120.570 0.103 0.000 2.291 249 I HA 0.417 4.633 4.170 0.077 0.000 0.290 249 I C 0.800 176.943 176.117 0.044 0.000 1.050 249 I CA -0.203 61.134 61.300 0.062 0.000 1.245 249 I CB 0.945 38.923 38.000 -0.036 0.000 1.405 249 I HN 0.789 nan 8.210 nan 0.000 0.478 250 G N 3.978 112.801 108.800 0.038 0.000 2.335 250 G HA2 0.309 4.315 3.960 0.077 0.000 0.316 250 G HA3 0.309 4.315 3.960 0.077 0.000 0.316 250 G C -0.837 174.057 174.900 -0.009 0.000 1.129 250 G CA -0.356 44.758 45.100 0.023 0.000 0.899 250 G HN 0.555 nan 8.290 nan 0.000 0.448 251 D N 0.724 121.115 120.400 -0.016 0.000 2.358 251 D HA 0.199 4.885 4.640 0.077 0.000 0.244 251 D C 1.987 178.262 176.300 -0.040 0.000 1.163 251 D CA -0.254 53.726 54.000 -0.034 0.000 0.945 251 D CB 1.472 42.254 40.800 -0.030 0.000 1.152 251 D HN 0.148 nan 8.370 nan 0.000 0.451 252 V N 0.879 120.762 119.914 -0.052 0.000 2.370 252 V HA -0.264 3.902 4.120 0.077 0.000 0.252 252 V C 2.068 178.124 176.094 -0.064 0.000 1.068 252 V CA 1.526 63.792 62.300 -0.057 0.000 1.061 252 V CB -1.131 30.652 31.823 -0.067 0.000 0.656 252 V HN 0.542 nan 8.190 nan 0.000 0.455 253 L N 1.564 122.746 121.223 -0.067 0.000 2.552 253 L HA -0.016 4.370 4.340 0.077 0.000 0.227 253 L C 2.702 179.529 176.870 -0.071 0.000 1.146 253 L CA 1.065 55.857 54.840 -0.080 0.000 0.858 253 L CB -0.648 41.365 42.059 -0.076 0.000 0.969 253 L HN 0.587 nan 8.230 nan 0.000 0.451 254 S N -0.328 115.342 115.700 -0.049 0.000 2.387 254 S HA -0.203 4.313 4.470 0.077 0.000 0.226 254 S C 1.141 175.718 174.600 -0.038 0.000 1.026 254 S CA 0.519 58.697 58.200 -0.036 0.000 0.972 254 S CB -0.164 63.028 63.200 -0.014 0.000 0.814 254 S HN 0.503 nan 8.310 nan 0.000 0.477 255 Q N 0.407 120.186 119.800 -0.036 0.000 2.481 255 Q HA -0.160 4.226 4.340 0.077 0.000 0.258 255 Q C 1.007 177.004 176.000 -0.006 0.000 0.961 255 Q CA 1.087 56.877 55.803 -0.022 0.000 1.121 255 Q CB -2.684 26.029 28.738 -0.041 0.000 1.503 255 Q HN 0.922 nan 8.270 nan 0.000 0.544 256 T N -5.037 109.518 114.554 0.001 0.000 3.055 256 T HA 0.258 4.654 4.350 0.077 0.000 0.265 256 T C 1.688 176.399 174.700 0.018 0.000 1.111 256 T CA 0.853 62.964 62.100 0.018 0.000 1.118 256 T CB 0.366 69.254 68.868 0.033 0.000 0.909 256 T HN 0.992 nan 8.240 nan 0.000 0.501 257 G N 1.446 110.250 108.800 0.007 0.000 2.234 257 G HA2 -0.303 3.703 3.960 0.077 0.000 0.235 257 G HA3 -0.303 3.703 3.960 0.077 0.000 0.235 257 G C 0.218 175.119 174.900 0.002 0.000 0.997 257 G CA -0.065 45.036 45.100 0.001 0.000 0.623 257 G HN 0.698 nan 8.290 nan 0.000 0.514 258 Q N -1.276 118.534 119.800 0.016 0.000 2.456 258 Q HA -0.160 4.226 4.340 0.077 0.000 0.325 258 Q C -1.136 174.885 176.000 0.035 0.000 1.453 258 Q CA 0.614 56.435 55.803 0.029 0.000 0.848 258 Q CB -1.258 27.492 28.738 0.019 0.000 1.123 258 Q HN 0.567 nan 8.270 nan 0.000 0.374 259 P HA -0.162 nan 4.420 nan 0.000 0.219 259 P C 0.291 177.600 177.300 0.015 0.000 1.146 259 P CA 1.297 64.405 63.100 0.014 0.000 0.808 259 P CB 0.253 31.957 31.700 0.008 0.000 0.779 260 L N 1.459 122.723 121.223 0.069 0.000 2.506 260 L HA 0.399 4.785 4.340 0.077 0.000 0.247 260 L C -2.210 174.855 176.870 0.325 0.000 1.141 260 L CA -2.163 52.755 54.840 0.131 0.000 0.973 260 L CB 0.981 43.111 42.059 0.119 0.000 1.319 260 L HN -0.120 nan 8.230 nan 0.000 0.455 261 P HA 0.068 nan 4.420 nan 0.000 0.274 261 P C 0.288 177.734 177.300 0.242 0.000 1.256 261 P CA -0.261 62.941 63.100 0.170 0.000 0.795 261 P CB 0.903 32.657 31.700 0.091 0.000 1.038 262 C N -1.236 118.115 119.300 0.086 0.000 4.235 262 C HA -0.095 4.411 4.460 0.077 0.000 0.301 262 C C 2.126 176.954 174.990 -0.269 0.000 1.409 262 C CA 0.224 59.245 59.018 0.006 0.000 2.024 262 C CB -3.295 24.503 27.740 0.096 0.000 1.286 262 C HN 0.738 nan 8.230 nan 0.000 0.746 263 A N 0.397 122.910 122.820 -0.513 0.000 1.917 263 A HA -0.239 4.127 4.320 0.077 0.000 0.219 263 A C 1.868 178.949 177.584 -0.838 0.000 1.182 263 A CA 2.533 53.838 52.037 -1.221 0.000 0.633 263 A CB -0.456 18.072 19.000 -0.786 0.000 0.819 263 A HN 0.713 nan 8.150 nan 0.000 0.448 264 D N -0.557 119.589 120.400 -0.423 0.000 2.182 264 D HA -0.111 4.575 4.640 0.077 0.000 0.201 264 D C 1.795 177.964 176.300 -0.219 0.000 0.986 264 D CA 1.156 54.995 54.000 -0.268 0.000 0.847 264 D CB -0.096 40.608 40.800 -0.160 0.000 0.942 264 D HN 0.497 nan 8.370 nan 0.000 0.467 265 L N -0.104 120.998 121.223 -0.201 0.000 2.013 265 L HA 0.004 4.390 4.340 0.077 0.000 0.204 265 L C 2.686 179.523 176.870 -0.056 0.000 1.081 265 L CA 0.973 55.757 54.840 -0.093 0.000 0.751 265 L CB -1.159 40.889 42.059 -0.019 0.000 0.901 265 L HN 0.347 nan 8.230 nan 0.000 0.440 266 W N 0.564 121.828 121.300 -0.060 0.000 2.392 266 W HA -0.153 4.553 4.660 0.077 0.000 0.279 266 W C 1.736 178.207 176.519 -0.081 0.000 1.225 266 W CA 0.450 57.752 57.345 -0.071 0.000 1.233 266 W CB -0.904 28.508 29.460 -0.081 0.000 1.122 266 W HN 0.152 nan 8.180 nan 0.000 0.561 267 L N 1.759 122.813 121.223 -0.282 0.000 2.265 267 L HA -0.041 4.344 4.340 0.077 0.000 0.215 267 L C 2.725 179.575 176.870 -0.033 0.000 1.117 267 L CA 1.422 56.124 54.840 -0.231 0.000 0.782 267 L CB -1.062 40.704 42.059 -0.487 0.000 0.914 267 L HN 0.141 nan 8.230 nan 0.000 0.441 268 G N -1.035 107.745 108.800 -0.033 0.000 2.848 268 G HA2 -0.149 3.857 3.960 0.077 0.000 0.208 268 G HA3 -0.149 3.857 3.960 0.077 0.000 0.208 268 G C 0.574 175.484 174.900 0.017 0.000 1.152 268 G CA -0.179 44.917 45.100 -0.006 0.000 0.789 268 G HN 0.256 nan 8.290 nan 0.000 0.531 269 N N 0.367 119.104 118.700 0.061 0.000 2.438 269 N HA 0.366 5.152 4.740 0.077 0.000 0.282 269 N C 1.396 176.950 175.510 0.074 0.000 1.037 269 N CA 0.115 53.200 53.050 0.058 0.000 0.942 269 N CB 1.682 40.218 38.487 0.083 0.000 1.136 269 N HN -0.052 nan 8.380 nan 0.000 0.481 270 A N 4.682 127.534 122.820 0.053 0.000 1.940 270 A HA -0.171 4.195 4.320 0.077 0.000 0.219 270 A C 1.987 179.612 177.584 0.069 0.000 1.176 270 A CA 1.430 53.506 52.037 0.064 0.000 0.631 270 A CB -0.224 18.806 19.000 0.051 0.000 0.814 270 A HN 0.816 nan 8.150 nan 0.000 0.446 271 K N -0.340 120.091 120.400 0.051 0.000 2.074 271 K HA -0.130 4.236 4.320 0.077 0.000 0.209 271 K C 2.277 178.899 176.600 0.037 0.000 1.048 271 K CA 1.319 57.627 56.287 0.035 0.000 0.926 271 K CB -0.328 32.178 32.500 0.010 0.000 0.713 271 K HN 0.480 nan 8.250 nan 0.000 0.444 272 A N 0.931 123.786 122.820 0.059 0.000 1.854 272 A HA -0.147 4.219 4.320 0.077 0.000 0.214 272 A C 2.280 179.934 177.584 0.116 0.000 1.192 272 A CA 2.092 54.176 52.037 0.078 0.000 0.611 272 A CB -1.111 18.038 19.000 0.248 0.000 0.832 272 A HN 0.453 nan 8.150 nan 0.000 0.442 273 T N -1.364 113.278 114.554 0.147 0.000 2.833 273 T HA -0.149 4.247 4.350 0.077 0.000 0.269 273 T C 2.059 176.894 174.700 0.225 0.000 1.054 273 T CA 1.906 64.135 62.100 0.216 0.000 1.135 273 T CB -0.618 68.391 68.868 0.235 0.000 0.869 273 T HN 0.629 nan 8.240 nan 0.000 0.466 274 S N 1.212 117.004 115.700 0.154 0.000 2.436 274 S HA -0.035 4.480 4.470 0.077 0.000 0.228 274 S C 2.085 176.774 174.600 0.147 0.000 1.014 274 S CA 0.924 59.207 58.200 0.138 0.000 0.950 274 S CB -0.345 62.912 63.200 0.096 0.000 0.784 274 S HN 0.648 nan 8.310 nan 0.000 0.504 275 E N 0.902 121.183 120.200 0.135 0.000 2.077 275 E HA -0.069 4.327 4.350 0.077 0.000 0.193 275 E C 1.855 178.633 176.600 0.296 0.000 0.989 275 E CA 1.282 57.780 56.400 0.163 0.000 0.800 275 E CB -0.296 29.438 29.700 0.057 0.000 0.746 275 E HN 0.621 nan 8.360 nan 0.000 0.452 276 L N 0.632 122.025 121.223 0.283 0.000 2.456 276 L HA -0.128 4.258 4.340 0.077 0.000 0.224 276 L C 2.331 179.438 176.870 0.395 0.000 1.148 276 L CA 0.621 55.711 54.840 0.416 0.000 0.825 276 L CB -0.222 42.053 42.059 0.360 0.000 0.937 276 L HN 0.209 nan 8.230 nan 0.000 0.450 277 Q N -0.231 119.737 119.800 0.279 0.000 2.364 277 Q HA -0.201 4.185 4.340 0.077 0.000 0.207 277 Q C 1.815 177.865 176.000 0.082 0.000 0.970 277 Q CA 0.923 56.831 55.803 0.174 0.000 0.888 277 Q CB 0.036 28.852 28.738 0.130 0.000 0.951 277 Q HN 0.609 nan 8.270 nan 0.000 0.469 278 Q N -0.287 119.552 119.800 0.065 0.000 2.432 278 Q HA 0.119 4.505 4.340 0.077 0.000 0.205 278 Q C 0.124 175.924 176.000 -0.332 0.000 0.945 278 Q CA -0.026 55.707 55.803 -0.117 0.000 0.924 278 Q CB 0.334 29.002 28.738 -0.118 0.000 1.016 278 Q HN 0.179 nan 8.270 nan 0.000 0.503 279 A N 1.155 123.846 122.820 -0.216 0.000 2.491 279 A HA -0.014 4.352 4.320 0.077 0.000 0.261 279 A C 0.733 178.166 177.584 -0.251 0.000 1.101 279 A CA -0.070 51.777 52.037 -0.317 0.000 0.772 279 A CB 0.405 19.410 19.000 0.009 0.000 1.043 279 A HN 0.286 nan 8.150 nan 0.000 0.501 280 Q N 1.890 121.481 119.800 -0.348 0.000 2.123 280 Q HA 0.198 4.584 4.340 0.077 0.000 0.196 280 Q C 0.456 176.376 176.000 -0.132 0.000 0.958 280 Q CA 0.857 56.545 55.803 -0.193 0.000 0.841 280 Q CB 0.274 28.890 28.738 -0.204 0.000 0.915 280 Q HN 0.823 nan 8.270 nan 0.000 0.455 281 I N 0.350 120.746 120.570 -0.290 0.000 2.608 281 I HA 0.336 4.551 4.170 0.077 0.000 0.295 281 I C -1.539 174.306 176.117 -0.452 0.000 1.049 281 I CA -1.101 59.980 61.300 -0.365 0.000 1.063 281 I CB 2.134 39.889 38.000 -0.409 0.000 1.248 281 I HN -0.256 nan 8.210 nan 0.000 0.424 282 V N 7.407 127.047 119.914 -0.456 0.000 2.444 282 V HA 0.378 4.544 4.120 0.077 0.000 0.294 282 V C -0.458 175.298 176.094 -0.564 0.000 1.022 282 V CA -0.615 61.399 62.300 -0.477 0.000 0.850 282 V CB 1.583 33.068 31.823 -0.563 0.000 0.992 282 V HN 0.451 nan 8.190 nan 0.000 0.426 283 V N 5.301 125.082 119.914 -0.221 0.000 2.311 283 V HA 0.421 4.587 4.120 0.077 0.000 0.275 283 V C -0.016 176.074 176.094 -0.007 0.000 1.022 283 V CA -0.411 61.865 62.300 -0.040 0.000 0.830 283 V CB 1.295 33.308 31.823 0.318 0.000 1.012 283 V HN 0.952 nan 8.190 nan 0.000 0.452 284 Q N 4.823 124.568 119.800 -0.091 0.000 2.307 284 Q HA 0.682 5.068 4.340 0.077 0.000 0.262 284 Q C -1.754 174.211 176.000 -0.058 0.000 0.961 284 Q CA -0.716 55.084 55.803 -0.006 0.000 0.882 284 Q CB 1.643 30.443 28.738 0.103 0.000 1.264 284 Q HN 0.664 nan 8.270 nan 0.000 0.446 285 L N 3.301 124.480 121.223 -0.074 0.000 2.334 285 L HA 0.780 5.166 4.340 0.077 0.000 0.276 285 L C 0.505 177.323 176.870 -0.087 0.000 1.014 285 L CA 0.177 54.923 54.840 -0.157 0.000 0.815 285 L CB 1.749 43.673 42.059 -0.224 0.000 1.268 285 L HN 0.917 nan 8.230 nan 0.000 0.428 286 G N 1.710 110.453 108.800 -0.095 0.000 2.888 286 G HA2 0.055 4.061 3.960 0.077 0.000 0.441 286 G HA3 0.055 4.061 3.960 0.077 0.000 0.441 286 G C -0.178 174.707 174.900 -0.025 0.000 1.461 286 G CA -0.107 44.960 45.100 -0.055 0.000 0.897 286 G HN 1.042 nan 8.290 nan 0.000 0.547 287 S N -2.284 113.406 115.700 -0.017 0.000 3.952 287 S HA 0.779 5.295 4.470 0.077 0.000 0.293 287 S C 0.815 175.410 174.600 -0.008 0.000 1.090 287 S CA 0.689 58.888 58.200 -0.003 0.000 1.264 287 S CB 0.758 63.956 63.200 -0.004 0.000 1.393 287 S HN 2.412 nan 8.310 nan 0.000 0.757 288 S N 0.962 116.656 115.700 -0.010 0.000 3.477 288 S HA -0.104 4.412 4.470 0.077 0.000 0.371 288 S C -0.274 174.314 174.600 -0.019 0.000 0.965 288 S CA 0.044 58.233 58.200 -0.018 0.000 1.239 288 S CB -1.824 61.361 63.200 -0.024 0.000 0.918 288 S HN 0.553 nan 8.310 nan 0.000 0.498 289 L N 1.503 122.722 121.223 -0.006 0.000 2.499 289 L HA 0.124 4.510 4.340 0.077 0.000 0.273 289 L C 1.794 178.652 176.870 -0.020 0.000 1.195 289 L CA 1.009 55.847 54.840 -0.004 0.000 0.882 289 L CB -0.100 41.974 42.059 0.025 0.000 1.133 289 L HN 0.415 nan 8.230 nan 0.000 0.483 290 T N 1.811 116.345 114.554 -0.033 0.000 2.764 290 T HA 0.071 4.467 4.350 0.077 0.000 0.243 290 T C 0.924 175.596 174.700 -0.047 0.000 1.065 290 T CA 0.541 62.614 62.100 -0.045 0.000 1.219 290 T CB -0.486 68.348 68.868 -0.057 0.000 0.918 290 T HN 0.773 nan 8.240 nan 0.000 0.409 291 G N 1.600 110.365 108.800 -0.058 0.000 2.562 291 G HA2 0.096 4.102 3.960 0.077 0.000 0.233 291 G HA3 0.096 4.102 3.960 0.077 0.000 0.233 291 G C 0.825 175.695 174.900 -0.049 0.000 1.266 291 G CA -0.403 44.657 45.100 -0.066 0.000 0.852 291 G HN 0.111 nan 8.290 nan 0.000 0.581 292 K N 1.241 121.613 120.400 -0.047 0.000 2.032 292 K HA -0.094 4.272 4.320 0.077 0.000 0.209 292 K C 2.687 179.276 176.600 -0.018 0.000 1.048 292 K CA 1.006 57.275 56.287 -0.029 0.000 0.927 292 K CB -0.148 32.334 32.500 -0.029 0.000 0.712 292 K HN 0.351 nan 8.250 nan 0.000 0.441 293 R N 0.769 121.243 120.500 -0.044 0.000 2.115 293 R HA -0.058 4.328 4.340 0.077 0.000 0.230 293 R C 2.128 178.430 176.300 0.003 0.000 1.111 293 R CA 0.511 56.588 56.100 -0.038 0.000 0.976 293 R CB -0.659 29.574 30.300 -0.111 0.000 0.870 293 R HN 0.113 nan 8.270 nan 0.000 0.445 294 L N -0.032 121.173 121.223 -0.030 0.000 2.044 294 L HA -0.007 4.379 4.340 0.077 0.000 0.205 294 L C 1.655 178.608 176.870 0.138 0.000 1.075 294 L CA 1.612 56.479 54.840 0.045 0.000 0.747 294 L CB -0.453 41.593 42.059 -0.022 0.000 0.903 294 L HN 0.141 nan 8.230 nan 0.000 0.435 295 L N -0.899 120.362 121.223 0.063 0.000 2.017 295 L HA -0.240 4.146 4.340 0.077 0.000 0.208 295 L C 2.659 179.560 176.870 0.052 0.000 1.073 295 L CA 1.550 56.417 54.840 0.046 0.000 0.745 295 L CB -0.649 41.414 42.059 0.006 0.000 0.894 295 L HN 0.364 nan 8.230 nan 0.000 0.432 296 Q N -1.264 118.572 119.800 0.060 0.000 2.079 296 Q HA -0.255 4.131 4.340 0.077 0.000 0.200 296 Q C 2.033 178.088 176.000 0.091 0.000 0.974 296 Q CA 1.946 57.781 55.803 0.053 0.000 0.840 296 Q CB -0.303 28.464 28.738 0.049 0.000 0.898 296 Q HN 0.553 nan 8.270 nan 0.000 0.430 297 W N 1.792 123.087 121.300 -0.007 0.000 2.335 297 W HA -0.233 4.472 4.660 0.076 0.000 0.311 297 W C 2.308 178.859 176.519 0.054 0.000 1.213 297 W CA 1.681 59.037 57.345 0.020 0.000 1.274 297 W CB -0.246 29.218 29.460 0.006 0.000 1.148 297 W HN 0.095 nan 8.180 nan 0.000 0.498 298 Q N 0.762 120.599 119.800 0.061 0.000 2.061 298 Q HA -0.206 4.180 4.340 0.077 0.000 0.204 298 Q C 2.184 178.086 176.000 -0.162 0.000 0.984 298 Q CA 2.385 58.107 55.803 -0.135 0.000 0.846 298 Q CB -0.930 27.873 28.738 0.109 0.000 0.902 298 Q HN 0.368 nan 8.270 nan 0.000 0.421 299 A N 0.228 122.990 122.820 -0.097 0.000 2.067 299 A HA -0.105 4.261 4.320 0.077 0.000 0.219 299 A C 2.127 179.632 177.584 -0.130 0.000 1.158 299 A CA 1.899 53.867 52.037 -0.115 0.000 0.661 299 A CB -0.352 18.589 19.000 -0.099 0.000 0.801 299 A HN 0.557 nan 8.150 nan 0.000 0.452 300 S N -1.305 114.301 115.700 -0.155 0.000 2.506 300 S HA 0.028 4.544 4.470 0.077 0.000 0.219 300 S C 1.029 175.521 174.600 -0.179 0.000 1.031 300 S CA 0.319 58.437 58.200 -0.136 0.000 0.911 300 S CB -1.437 61.711 63.200 -0.087 0.000 0.812 300 S HN 0.944 nan 8.310 nan 0.000 0.497 301 C N 1.827 120.887 119.300 -0.400 0.000 2.700 301 C HA 0.599 5.105 4.460 0.077 0.000 0.397 301 C C 0.335 175.252 174.990 -0.122 0.000 1.301 301 C CA -0.570 58.180 59.018 -0.448 0.000 2.219 301 C CB -0.251 26.821 27.740 -1.113 0.000 2.699 301 C HN 0.576 nan 8.230 nan 0.000 0.669 302 E N 2.049 122.205 120.200 -0.073 0.000 3.898 302 E HA 0.296 4.692 4.350 0.077 0.000 0.219 302 E C -2.109 174.500 176.600 0.015 0.000 1.207 302 E CA -0.898 55.517 56.400 0.024 0.000 1.240 302 E CB 0.542 30.258 29.700 0.027 0.000 1.239 302 E HN 0.728 nan 8.360 nan 0.000 0.422 303 P HA 0.113 nan 4.420 nan 0.000 0.275 303 P C 0.524 177.849 177.300 0.042 0.000 1.266 303 P CA -0.226 62.864 63.100 -0.017 0.000 0.793 303 P CB 1.454 33.107 31.700 -0.078 0.000 1.074 304 E N -0.583 119.654 120.200 0.062 0.000 2.028 304 E HA -0.088 4.307 4.350 0.077 0.000 0.191 304 E C 0.223 176.904 176.600 0.136 0.000 0.988 304 E CA 1.089 57.579 56.400 0.150 0.000 0.799 304 E CB 0.258 30.135 29.700 0.294 0.000 0.755 304 E HN 0.503 nan 8.360 nan 0.000 0.447 305 E N -1.313 118.905 120.200 0.029 0.000 2.343 305 E HA 0.276 4.672 4.350 0.077 0.000 0.270 305 E C -1.645 174.976 176.600 0.034 0.000 0.895 305 E CA -0.659 55.759 56.400 0.029 0.000 0.767 305 E CB 2.032 31.663 29.700 -0.114 0.000 1.248 305 E HN 0.030 nan 8.360 nan 0.000 0.440 306 Y N 1.242 121.590 120.300 0.080 0.000 2.331 306 Y HA 0.341 4.937 4.550 0.076 0.000 0.334 306 Y C -1.500 174.579 175.900 0.298 0.000 0.960 306 Y CA -0.777 57.356 58.100 0.054 0.000 1.130 306 Y CB 0.946 39.343 38.460 -0.106 0.000 1.164 306 Y HN 0.458 nan 8.280 nan 0.000 0.458 307 W N 6.973 128.160 121.300 -0.188 0.000 2.606 307 W HA 0.647 5.353 4.660 0.077 0.000 0.332 307 W C -1.172 175.302 176.519 -0.075 0.000 1.052 307 W CA -1.534 55.749 57.345 -0.103 0.000 1.223 307 W CB 1.213 30.586 29.460 -0.145 0.000 1.383 307 W HN 0.325 nan 8.180 nan 0.000 0.524 308 I N 3.475 124.123 120.570 0.130 0.000 2.448 308 I HA 0.197 4.413 4.170 0.077 0.000 0.281 308 I C -0.609 175.403 176.117 -0.175 0.000 1.027 308 I CA -0.935 60.375 61.300 0.016 0.000 1.111 308 I CB 1.240 39.289 38.000 0.081 0.000 1.236 308 I HN -0.131 nan 8.210 nan 0.000 0.452 309 V N 5.428 125.127 119.914 -0.358 0.000 2.385 309 V HA 0.397 4.563 4.120 0.077 0.000 0.269 309 V C -0.222 175.666 176.094 -0.344 0.000 1.043 309 V CA 0.092 62.040 62.300 -0.587 0.000 0.906 309 V CB 1.035 32.128 31.823 -1.217 0.000 0.995 309 V HN 0.652 nan 8.190 nan 0.000 0.467 310 D N 2.512 122.775 120.400 -0.228 0.000 2.623 310 D HA 0.178 4.864 4.640 0.077 0.000 0.241 310 D C 0.108 176.376 176.300 -0.053 0.000 1.241 310 D CA -0.366 53.561 54.000 -0.122 0.000 0.788 310 D CB 2.500 43.255 40.800 -0.076 0.000 1.413 310 D HN 0.559 nan 8.370 nan 0.000 0.429 311 D N 0.803 121.196 120.400 -0.012 0.000 2.317 311 D HA -0.001 4.685 4.640 0.077 0.000 0.211 311 D C 1.321 177.713 176.300 0.152 0.000 0.966 311 D CA 0.420 54.455 54.000 0.059 0.000 0.876 311 D CB -0.162 40.647 40.800 0.015 0.000 0.927 311 D HN 0.538 nan 8.370 nan 0.000 0.519 312 I N -1.954 118.665 120.570 0.081 0.000 3.276 312 I HA 0.392 4.608 4.170 0.077 0.000 0.306 312 I C 0.079 176.255 176.117 0.099 0.000 1.060 312 I CA -0.959 60.407 61.300 0.110 0.000 1.133 312 I CB 0.680 38.705 38.000 0.041 0.000 1.473 312 I HN -0.246 nan 8.210 nan 0.000 0.649 313 E N 0.398 120.646 120.200 0.081 0.000 2.259 313 E HA 0.620 5.016 4.350 0.077 0.000 0.257 313 E C -0.211 176.391 176.600 0.005 0.000 0.998 313 E CA -0.503 55.907 56.400 0.017 0.000 0.866 313 E CB 1.474 31.173 29.700 -0.002 0.000 1.220 313 E HN 1.075 nan 8.360 nan 0.000 0.415 314 G N 0.687 109.481 108.800 -0.010 0.000 2.781 314 G HA2 -0.251 3.755 3.960 0.077 0.000 0.683 314 G HA3 -0.251 3.755 3.960 0.077 0.000 0.683 314 G C -0.687 174.211 174.900 -0.003 0.000 1.390 314 G CA -0.755 44.342 45.100 -0.005 0.000 0.850 314 G HN 0.430 nan 8.290 nan 0.000 0.557 315 R N -0.617 119.886 120.500 0.005 0.000 2.623 315 R HA 0.348 4.734 4.340 0.077 0.000 0.271 315 R C 1.118 177.421 176.300 0.005 0.000 1.043 315 R CA 0.272 56.379 56.100 0.012 0.000 1.083 315 R CB 0.255 30.577 30.300 0.037 0.000 0.974 315 R HN 0.460 nan 8.270 nan 0.000 0.436 316 L N 0.627 121.847 121.223 -0.004 0.000 2.993 316 L HA 0.137 4.523 4.340 0.077 0.000 0.264 316 L C 0.082 176.923 176.870 -0.048 0.000 1.154 316 L CA -0.113 54.718 54.840 -0.016 0.000 0.972 316 L CB 0.495 42.552 42.059 -0.004 0.000 1.373 316 L HN 0.543 nan 8.230 nan 0.000 0.564 317 D N 1.819 122.173 120.400 -0.076 0.000 2.365 317 D HA 0.155 4.840 4.640 0.077 0.000 0.237 317 D C -1.803 174.303 176.300 -0.324 0.000 1.190 317 D CA -1.969 51.921 54.000 -0.184 0.000 0.867 317 D CB 1.607 42.287 40.800 -0.201 0.000 1.050 317 D HN -0.057 nan 8.370 nan 0.000 0.491 318 P HA 0.118 nan 4.420 nan 0.000 0.245 318 P C 0.385 177.206 177.300 -0.798 0.000 1.212 318 P CA 0.288 63.092 63.100 -0.494 0.000 0.774 318 P CB 0.483 32.038 31.700 -0.241 0.000 0.999 319 A N -1.347 121.071 122.820 -0.670 0.000 2.390 319 A HA 0.110 4.476 4.320 0.077 0.000 0.232 319 A C 0.160 177.391 177.584 -0.588 0.000 1.233 319 A CA -0.097 51.582 52.037 -0.596 0.000 0.907 319 A CB -0.732 17.966 19.000 -0.503 0.000 0.967 319 A HN 0.177 nan 8.150 nan 0.000 0.512 320 H N -0.282 118.619 119.070 -0.283 0.000 2.880 320 H HA -0.160 4.442 4.556 0.076 0.000 0.304 320 H C -0.565 174.645 175.328 -0.197 0.000 1.259 320 H CA 0.959 56.892 56.048 -0.193 0.000 1.153 320 H CB -2.524 27.150 29.762 -0.148 0.000 1.395 320 H HN 0.794 nan 8.280 nan 0.000 0.420 321 H N 0.473 119.478 119.070 -0.108 0.000 2.790 321 H HA 0.174 4.776 4.556 0.076 0.000 0.358 321 H C 1.276 176.619 175.328 0.024 0.000 1.103 321 H CA -0.010 56.001 56.048 -0.062 0.000 1.426 321 H CB 0.678 30.367 29.762 -0.122 0.000 1.424 321 H HN 0.242 nan 8.280 nan 0.000 0.599 322 R N 1.527 122.136 120.500 0.181 0.000 2.585 322 R HA 0.266 4.652 4.340 0.077 0.000 0.275 322 R C 0.233 176.644 176.300 0.186 0.000 1.018 322 R CA 0.992 57.180 56.100 0.147 0.000 1.072 322 R CB -0.170 30.207 30.300 0.128 0.000 0.953 322 R HN 0.943 nan 8.270 nan 0.000 0.419 323 G N 3.096 111.979 108.800 0.139 0.000 2.491 323 G HA2 0.079 4.085 3.960 0.077 0.000 0.183 323 G HA3 0.079 4.085 3.960 0.077 0.000 0.183 323 G C -1.558 173.338 174.900 -0.007 0.000 1.221 323 G CA -0.879 44.304 45.100 0.138 0.000 0.996 323 G HN 0.540 nan 8.290 nan 0.000 0.474 324 R N -0.411 120.018 120.500 -0.119 0.000 2.744 324 R HA 0.760 5.146 4.340 0.077 0.000 0.279 324 R C -1.156 175.049 176.300 -0.158 0.000 0.977 324 R CA -1.057 54.879 56.100 -0.273 0.000 0.906 324 R CB 2.559 32.438 30.300 -0.702 0.000 1.197 324 R HN 0.516 nan 8.270 nan 0.000 0.463 325 R N 2.437 122.859 120.500 -0.129 0.000 2.337 325 R HA 0.396 4.782 4.340 0.077 0.000 0.319 325 R C -1.432 174.794 176.300 -0.125 0.000 0.954 325 R CA -0.336 55.709 56.100 -0.092 0.000 0.840 325 R CB 0.568 30.842 30.300 -0.043 0.000 1.164 325 R HN 0.632 nan 8.270 nan 0.000 0.472 326 L N 6.165 127.290 121.223 -0.163 0.000 2.316 326 L HA 0.500 4.886 4.340 0.077 0.000 0.280 326 L C -0.245 176.540 176.870 -0.141 0.000 1.006 326 L CA -0.937 53.807 54.840 -0.161 0.000 0.836 326 L CB 1.518 43.440 42.059 -0.228 0.000 1.221 326 L HN 0.474 nan 8.230 nan 0.000 0.418 327 I N 3.326 123.858 120.570 -0.063 0.000 2.363 327 I HA 0.581 4.797 4.170 0.077 0.000 0.292 327 I C 0.483 176.616 176.117 0.027 0.000 1.075 327 I CA 0.235 61.517 61.300 -0.031 0.000 1.333 327 I CB 0.293 38.263 38.000 -0.051 0.000 1.415 327 I HN 0.682 nan 8.210 nan 0.000 0.502 328 A N 6.362 129.200 122.820 0.029 0.000 2.601 328 A HA 0.370 4.736 4.320 0.077 0.000 0.291 328 A C -0.611 177.015 177.584 0.071 0.000 1.075 328 A CA -0.819 51.280 52.037 0.103 0.000 0.671 328 A CB 1.457 20.607 19.000 0.250 0.000 1.277 328 A HN 0.665 nan 8.150 nan 0.000 0.417 329 N N 0.890 119.649 118.700 0.098 0.000 2.475 329 N HA 0.148 4.934 4.740 0.077 0.000 0.267 329 N C 0.728 176.281 175.510 0.072 0.000 1.169 329 N CA -0.128 52.960 53.050 0.063 0.000 0.947 329 N CB 0.631 39.154 38.487 0.060 0.000 1.061 329 N HN 0.548 nan 8.380 nan 0.000 0.466 330 I N 3.548 124.124 120.570 0.011 0.000 2.179 330 I HA -0.287 3.929 4.170 0.077 0.000 0.242 330 I C 2.318 178.445 176.117 0.017 0.000 1.088 330 I CA 1.362 62.651 61.300 -0.018 0.000 1.357 330 I CB -0.199 37.749 38.000 -0.086 0.000 1.051 330 I HN 0.689 nan 8.210 nan 0.000 0.409 331 A N 0.413 123.236 122.820 0.004 0.000 1.877 331 A HA -0.256 4.110 4.320 0.077 0.000 0.216 331 A C 1.977 179.575 177.584 0.022 0.000 1.186 331 A CA 2.178 54.215 52.037 -0.000 0.000 0.620 331 A CB -0.690 18.309 19.000 -0.001 0.000 0.822 331 A HN 0.346 nan 8.150 nan 0.000 0.443 332 D N -1.540 118.889 120.400 0.049 0.000 2.104 332 D HA -0.192 4.494 4.640 0.077 0.000 0.194 332 D C 1.570 177.911 176.300 0.068 0.000 0.994 332 D CA 1.296 55.326 54.000 0.051 0.000 0.830 332 D CB -0.451 40.390 40.800 0.068 0.000 0.959 332 D HN 0.738 nan 8.370 nan 0.000 0.452 333 W N 1.256 122.523 121.300 -0.054 0.000 2.358 333 W HA -0.066 4.640 4.660 0.076 0.000 0.303 333 W C 2.114 178.600 176.519 -0.054 0.000 1.208 333 W CA 0.978 58.313 57.345 -0.016 0.000 1.274 333 W CB -0.274 29.136 29.460 -0.084 0.000 1.138 333 W HN -0.079 nan 8.180 nan 0.000 0.515 334 L N 0.094 121.349 121.223 0.052 0.000 2.083 334 L HA -0.206 4.179 4.340 0.077 0.000 0.209 334 L C 2.242 179.056 176.870 -0.093 0.000 1.083 334 L CA 1.634 56.357 54.840 -0.195 0.000 0.752 334 L CB -0.811 41.058 42.059 -0.318 0.000 0.899 334 L HN 0.010 nan 8.230 nan 0.000 0.433 335 E N -0.271 119.890 120.200 -0.065 0.000 2.150 335 E HA -0.218 4.178 4.350 0.077 0.000 0.193 335 E C 1.972 178.490 176.600 -0.137 0.000 0.985 335 E CA 0.698 57.068 56.400 -0.050 0.000 0.814 335 E CB 0.039 29.720 29.700 -0.032 0.000 0.752 335 E HN 0.190 nan 8.360 nan 0.000 0.466 336 L N 0.149 121.205 121.223 -0.279 0.000 2.240 336 L HA -0.030 4.356 4.340 0.077 0.000 0.211 336 L C 0.019 176.360 176.870 -0.881 0.000 1.106 336 L CA 1.627 56.152 54.840 -0.525 0.000 0.793 336 L CB -0.043 41.669 42.059 -0.579 0.000 0.927 336 L HN 0.070 nan 8.230 nan 0.000 0.446 337 H N -0.227 118.493 119.070 -0.583 0.000 2.348 337 H HA 0.370 4.972 4.556 0.076 0.000 0.232 337 H C -2.399 172.911 175.328 -0.031 0.000 1.419 337 H CA -2.361 53.249 56.048 -0.729 0.000 1.416 337 H CB -0.123 28.472 29.762 -1.946 0.000 1.510 337 H HN 0.095 nan 8.280 nan 0.000 0.507 338 P HA 0.117 nan 4.420 nan 0.000 0.272 338 P C 0.162 177.787 177.300 0.541 0.000 1.223 338 P CA -0.248 63.121 63.100 0.448 0.000 0.784 338 P CB 1.050 32.892 31.700 0.237 0.000 0.923 339 A N 1.847 124.801 122.820 0.224 0.000 2.332 339 A HA 0.278 4.644 4.320 0.077 0.000 0.258 339 A C 0.220 177.727 177.584 -0.129 0.000 1.087 339 A CA -0.144 51.742 52.037 -0.251 0.000 0.802 339 A CB -0.112 18.511 19.000 -0.629 0.000 1.042 339 A HN 0.643 nan 8.150 nan 0.000 0.489 340 E N 0.538 120.590 120.200 -0.247 0.000 2.266 340 E HA 0.330 4.726 4.350 0.077 0.000 0.268 340 E C -0.725 175.758 176.600 -0.195 0.000 0.879 340 E CA -0.787 55.511 56.400 -0.171 0.000 0.762 340 E CB 1.186 30.796 29.700 -0.150 0.000 1.199 340 E HN 0.581 nan 8.360 nan 0.000 0.422 341 K N 3.499 123.825 120.400 -0.124 0.000 2.437 341 K HA 0.001 4.367 4.320 0.077 0.000 0.277 341 K C -0.650 175.890 176.600 -0.100 0.000 1.073 341 K CA 0.795 57.020 56.287 -0.103 0.000 1.105 341 K CB 0.328 32.790 32.500 -0.064 0.000 0.881 341 K HN 0.393 nan 8.250 nan 0.000 0.475 342 R N 3.012 123.452 120.500 -0.099 0.000 2.698 342 R HA 0.098 4.484 4.340 0.077 0.000 0.275 342 R C -1.147 175.146 176.300 -0.012 0.000 1.001 342 R CA -1.122 54.947 56.100 -0.051 0.000 0.896 342 R CB 1.526 31.799 30.300 -0.045 0.000 1.218 342 R HN 0.497 nan 8.270 nan 0.000 0.462 343 Q N 2.213 122.022 119.800 0.015 0.000 2.364 343 Q HA 0.175 4.561 4.340 0.077 0.000 0.267 343 Q C -2.247 173.801 176.000 0.080 0.000 0.999 343 Q CA -0.986 54.834 55.803 0.029 0.000 0.886 343 Q CB 0.602 29.356 28.738 0.027 0.000 1.243 343 Q HN 0.197 nan 8.270 nan 0.000 0.415 344 P HA -0.014 nan 4.420 nan 0.000 0.270 344 P C -0.300 177.062 177.300 0.104 0.000 1.223 344 P CA 0.017 63.142 63.100 0.041 0.000 0.785 344 P CB 0.256 31.917 31.700 -0.065 0.000 0.923 345 W N -0.350 120.953 121.300 0.005 0.000 2.868 345 W HA 0.272 4.978 4.660 0.076 0.000 0.320 345 W C -0.999 175.496 176.519 -0.040 0.000 1.076 345 W CA -0.102 57.231 57.345 -0.020 0.000 1.576 345 W CB -0.820 28.626 29.460 -0.024 0.000 1.030 345 W HN 0.017 nan 8.180 nan 0.000 0.558 346 C N 2.620 121.527 119.300 -0.654 0.000 2.527 346 C HA 0.350 4.856 4.460 0.077 0.000 0.396 346 C C 1.740 176.547 174.990 -0.306 0.000 1.289 346 C CA 0.047 58.693 59.018 -0.620 0.000 2.047 346 C CB 1.594 28.828 27.740 -0.844 0.000 2.568 346 C HN 0.192 nan 8.230 nan 0.000 0.573 347 V N 2.277 122.062 119.914 -0.214 0.000 3.090 347 V HA 0.028 4.194 4.120 0.077 0.000 0.237 347 V C 1.929 177.918 176.094 -0.175 0.000 1.209 347 V CA 0.906 63.115 62.300 -0.151 0.000 1.209 347 V CB -0.215 31.563 31.823 -0.076 0.000 0.971 347 V HN 0.841 nan 8.190 nan 0.000 0.477 348 E N 0.066 120.154 120.200 -0.185 0.000 2.250 348 E HA 0.057 4.453 4.350 0.077 0.000 0.192 348 E C 2.089 178.515 176.600 -0.290 0.000 0.986 348 E CA 0.738 57.027 56.400 -0.185 0.000 0.849 348 E CB 0.263 29.889 29.700 -0.125 0.000 0.797 348 E HN 0.496 nan 8.360 nan 0.000 0.482 349 I N 1.653 121.979 120.570 -0.407 0.000 2.202 349 I HA -0.173 4.043 4.170 0.077 0.000 0.242 349 I C -0.757 174.952 176.117 -0.680 0.000 1.091 349 I CA 1.048 61.938 61.300 -0.682 0.000 1.368 349 I CB -1.031 36.476 38.000 -0.822 0.000 1.058 349 I HN 0.018 nan 8.210 nan 0.000 0.410 350 P HA -0.201 nan 4.420 nan 0.000 0.216 350 P C 1.545 178.672 177.300 -0.289 0.000 1.150 350 P CA 1.510 64.399 63.100 -0.351 0.000 0.843 350 P CB -0.041 31.506 31.700 -0.256 0.000 0.787 351 R N -0.391 119.956 120.500 -0.255 0.000 2.070 351 R HA -0.068 4.318 4.340 0.077 0.000 0.232 351 R C 2.324 178.510 176.300 -0.190 0.000 1.138 351 R CA 1.378 57.368 56.100 -0.184 0.000 0.936 351 R CB -1.105 29.109 30.300 -0.144 0.000 0.839 351 R HN 0.092 nan 8.270 nan 0.000 0.429 352 L N 0.070 121.146 121.223 -0.245 0.000 2.079 352 L HA -0.159 4.226 4.340 0.077 0.000 0.210 352 L C 2.602 179.344 176.870 -0.213 0.000 1.081 352 L CA 1.336 56.056 54.840 -0.200 0.000 0.752 352 L CB -0.503 41.435 42.059 -0.201 0.000 0.896 352 L HN 0.369 nan 8.230 nan 0.000 0.433 353 A N -0.722 121.834 122.820 -0.441 0.000 1.902 353 A HA -0.227 4.139 4.320 0.077 0.000 0.217 353 A C 2.292 179.828 177.584 -0.079 0.000 1.181 353 A CA 1.593 53.446 52.037 -0.307 0.000 0.623 353 A CB -0.423 18.295 19.000 -0.471 0.000 0.818 353 A HN 0.405 nan 8.150 nan 0.000 0.443 354 E N -0.287 119.843 120.200 -0.116 0.000 2.031 354 E HA -0.235 4.161 4.350 0.077 0.000 0.193 354 E C 2.285 178.866 176.600 -0.032 0.000 0.994 354 E CA 1.539 57.902 56.400 -0.062 0.000 0.800 354 E CB -0.196 29.459 29.700 -0.075 0.000 0.752 354 E HN 0.763 nan 8.360 nan 0.000 0.447 355 Q N 0.317 120.093 119.800 -0.041 0.000 2.135 355 Q HA -0.105 4.281 4.340 0.077 0.000 0.204 355 Q C 1.183 177.187 176.000 0.007 0.000 0.981 355 Q CA 0.838 56.630 55.803 -0.018 0.000 0.856 355 Q CB -0.259 28.466 28.738 -0.021 0.000 0.902 355 Q HN 0.142 nan 8.270 nan 0.000 0.425 359 A N 0.585 123.390 122.820 -0.025 0.000 1.940 359 A HA -0.129 4.237 4.320 0.077 0.000 0.219 359 A C 1.873 179.413 177.584 -0.074 0.000 1.176 359 A CA 1.983 54.001 52.037 -0.032 0.000 0.631 359 A CB -0.450 18.543 19.000 -0.012 0.000 0.814 359 A HN 0.189 nan 8.150 nan 0.000 0.446 360 V N 0.036 119.878 119.914 -0.120 0.000 2.346 360 V HA -0.204 3.962 4.120 0.077 0.000 0.244 360 V C 2.369 178.215 176.094 -0.412 0.000 1.037 360 V CA 1.650 63.788 62.300 -0.270 0.000 1.029 360 V CB -0.795 30.840 31.823 -0.313 0.000 0.663 360 V HN 0.555 nan 8.190 nan 0.000 0.454 361 I N 1.189 121.591 120.570 -0.280 0.000 2.194 361 I HA -0.305 3.911 4.170 0.077 0.000 0.246 361 I C 2.656 178.721 176.117 -0.088 0.000 1.093 361 I CA 1.697 62.923 61.300 -0.123 0.000 1.355 361 I CB -0.606 37.401 38.000 0.012 0.000 1.046 361 I HN 0.318 nan 8.210 nan 0.000 0.413 362 A N 0.210 122.986 122.820 -0.073 0.000 2.131 362 A HA -0.141 4.225 4.320 0.077 0.000 0.220 362 A C 2.088 179.651 177.584 -0.034 0.000 1.158 362 A CA 1.335 53.349 52.037 -0.039 0.000 0.665 362 A CB -0.321 18.663 19.000 -0.028 0.000 0.795 362 A HN 0.341 nan 8.150 nan 0.000 0.460 363 R N -0.786 119.673 120.500 -0.068 0.000 2.509 363 R HA 0.072 4.458 4.340 0.077 0.000 0.300 363 R C 1.278 177.572 176.300 -0.010 0.000 0.985 363 R CA 0.440 56.520 56.100 -0.033 0.000 1.092 363 R CB 0.078 30.349 30.300 -0.048 0.000 1.237 363 R HN 0.793 nan 8.270 nan 0.000 0.546 364 R N -0.154 120.331 120.500 -0.026 0.000 2.316 364 R HA 0.007 4.393 4.340 0.077 0.000 0.202 364 R C 0.358 176.710 176.300 0.088 0.000 1.029 364 R CA 0.952 57.067 56.100 0.024 0.000 1.018 364 R CB 0.030 30.354 30.300 0.040 0.000 0.888 364 R HN -0.064 nan 8.270 nan 0.000 0.471 365 D N 1.900 122.388 120.400 0.147 0.000 2.162 365 D HA 0.060 4.746 4.640 0.077 0.000 0.205 365 D C 0.619 177.217 176.300 0.498 0.000 0.964 365 D CA 0.967 55.130 54.000 0.271 0.000 0.847 365 D CB -0.240 40.670 40.800 0.183 0.000 0.988 365 D HN 0.344 nan 8.370 nan 0.000 0.480 366 A N 0.879 123.909 122.820 0.350 0.000 2.587 366 A HA -0.099 4.267 4.320 0.077 0.000 0.235 366 A C -0.019 177.851 177.584 0.475 0.000 1.044 366 A CA -0.051 52.183 52.037 0.328 0.000 0.754 366 A CB -0.376 18.743 19.000 0.199 0.000 0.968 366 A HN 0.128 nan 8.150 nan 0.000 0.509 367 F N 3.412 123.401 119.950 0.066 0.000 2.651 367 F HA 0.426 4.999 4.527 0.077 0.000 0.369 367 F C 0.971 176.688 175.800 -0.139 0.000 1.187 367 F CA 0.033 57.865 58.000 -0.280 0.000 1.335 367 F CB -0.583 38.115 39.000 -0.505 0.000 1.707 367 F HN 0.574 nan 8.300 nan 0.000 0.637 368 G N 1.146 109.894 108.800 -0.086 0.000 2.600 368 G HA2 0.295 4.301 3.960 0.077 0.000 0.303 368 G HA3 0.295 4.301 3.960 0.077 0.000 0.303 368 G C 0.418 175.280 174.900 -0.063 0.000 1.253 368 G CA -0.440 44.597 45.100 -0.105 0.000 0.974 368 G HN 0.414 nan 8.290 nan 0.000 0.483 369 E N -0.220 119.941 120.200 -0.064 0.000 2.153 369 E HA -0.074 4.322 4.350 0.077 0.000 0.194 369 E C 2.313 178.943 176.600 0.049 0.000 0.988 369 E CA 1.246 57.634 56.400 -0.020 0.000 0.811 369 E CB -0.138 29.543 29.700 -0.032 0.000 0.746 369 E HN 0.393 nan 8.360 nan 0.000 0.466 370 A N 1.406 124.258 122.820 0.054 0.000 1.883 370 A HA -0.296 4.070 4.320 0.077 0.000 0.217 370 A C 2.188 179.850 177.584 0.130 0.000 1.186 370 A CA 2.037 54.116 52.037 0.070 0.000 0.624 370 A CB -0.557 18.472 19.000 0.048 0.000 0.822 370 A HN 0.218 nan 8.150 nan 0.000 0.444 371 Q N -0.377 119.540 119.800 0.195 0.000 2.046 371 Q HA -0.027 4.358 4.340 0.077 0.000 0.200 371 Q C 2.106 178.307 176.000 0.336 0.000 0.975 371 Q CA 1.201 57.181 55.803 0.295 0.000 0.836 371 Q CB -0.499 28.517 28.738 0.464 0.000 0.896 371 Q HN 0.640 nan 8.270 nan 0.000 0.428 372 L N -0.009 121.464 121.223 0.415 0.000 2.021 372 L HA -0.301 4.085 4.340 0.077 0.000 0.215 372 L C 2.042 179.057 176.870 0.242 0.000 1.074 372 L CA 1.837 56.914 54.840 0.396 0.000 0.760 372 L CB -0.617 41.584 42.059 0.237 0.000 0.889 372 L HN 0.352 nan 8.230 nan 0.000 0.433 373 A N -1.138 121.779 122.820 0.162 0.000 1.902 373 A HA -0.322 4.044 4.320 0.077 0.000 0.217 373 A C 2.022 179.659 177.584 0.089 0.000 1.181 373 A CA 1.866 53.964 52.037 0.102 0.000 0.623 373 A CB -0.921 18.121 19.000 0.070 0.000 0.818 373 A HN 0.694 nan 8.150 nan 0.000 0.443 374 H N -0.044 119.037 119.070 0.018 0.000 2.352 374 H HA -0.039 4.563 4.556 0.077 0.000 0.299 374 H C 1.767 177.054 175.328 -0.068 0.000 1.097 374 H CA 2.081 58.113 56.048 -0.026 0.000 1.311 374 H CB -0.074 29.673 29.762 -0.026 0.000 1.377 374 H HN 0.426 nan 8.280 nan 0.000 0.504 375 R N -0.627 119.779 120.500 -0.158 0.000 2.334 375 R HA 0.113 4.499 4.340 0.077 0.000 0.220 375 R C 1.689 177.816 176.300 -0.288 0.000 0.917 375 R CA 0.259 56.166 56.100 -0.322 0.000 1.073 375 R CB 0.076 30.196 30.300 -0.299 0.000 1.056 375 R HN 0.271 nan 8.270 nan 0.000 0.506 376 I N 0.803 121.305 120.570 -0.113 0.000 2.423 376 I HA -0.322 3.894 4.170 0.077 0.000 0.254 376 I C 1.591 177.601 176.117 -0.178 0.000 1.151 376 I CA 1.141 62.436 61.300 -0.009 0.000 1.421 376 I CB -0.063 37.963 38.000 0.044 0.000 1.079 376 I HN 0.267 nan 8.210 nan 0.000 0.431 377 C N -0.265 118.861 119.300 -0.290 0.000 2.429 377 C HA -0.129 4.377 4.460 0.077 0.000 0.277 377 C C 2.303 177.054 174.990 -0.398 0.000 1.262 377 C CA 0.393 59.205 59.018 -0.343 0.000 1.733 377 C CB -1.623 25.927 27.740 -0.317 0.000 2.010 377 C HN 0.436 nan 8.230 nan 0.000 0.483 378 D N 0.572 120.656 120.400 -0.527 0.000 2.286 378 D HA -0.173 4.513 4.640 0.077 0.000 0.195 378 D C 1.316 177.234 176.300 -0.637 0.000 1.012 378 D CA 1.809 55.398 54.000 -0.685 0.000 0.901 378 D CB -0.341 39.798 40.800 -1.101 0.000 0.903 378 D HN 0.700 nan 8.370 nan 0.000 0.451 379 Y N -0.756 119.384 120.300 -0.267 0.000 2.481 379 Y HA 0.326 4.922 4.550 0.076 0.000 0.247 379 Y C 0.626 176.336 175.900 -0.316 0.000 1.151 379 Y CA -0.543 57.288 58.100 -0.449 0.000 1.238 379 Y CB -0.161 37.932 38.460 -0.613 0.000 1.179 379 Y HN -0.148 nan 8.280 nan 0.000 0.524 380 L N 4.719 125.832 121.223 -0.184 0.000 2.499 380 L HA 0.114 4.500 4.340 0.077 0.000 0.273 380 L C -1.913 174.826 176.870 -0.219 0.000 1.195 380 L CA -1.672 53.038 54.840 -0.216 0.000 0.882 380 L CB 0.184 41.888 42.059 -0.593 0.000 1.133 380 L HN -0.062 nan 8.230 nan 0.000 0.483 381 P HA 0.025 nan 4.420 nan 0.000 0.271 381 P C -0.618 176.505 177.300 -0.296 0.000 1.216 381 P CA -0.352 62.287 63.100 -0.767 0.000 0.776 381 P CB 0.692 31.712 31.700 -1.133 0.000 0.881 382 E N 2.096 122.097 120.200 -0.333 0.000 2.376 382 E HA -0.031 4.365 4.350 0.077 0.000 0.266 382 E C 0.072 176.589 176.600 -0.139 0.000 1.009 382 E CA 0.119 56.429 56.400 -0.150 0.000 0.902 382 E CB -0.039 29.576 29.700 -0.142 0.000 0.972 382 E HN 0.215 nan 8.360 nan 0.000 0.439 383 Q N 0.687 120.427 119.800 -0.099 0.000 2.481 383 Q HA -0.183 4.203 4.340 0.077 0.000 0.272 383 Q C -0.109 175.787 176.000 -0.173 0.000 1.157 383 Q CA 1.248 56.966 55.803 -0.140 0.000 0.935 383 Q CB -2.072 26.608 28.738 -0.097 0.000 1.338 383 Q HN 0.707 nan 8.270 nan 0.000 0.494 384 G N -0.200 108.476 108.800 -0.206 0.000 2.990 384 G HA2 0.725 4.731 3.960 0.077 0.000 0.208 384 G HA3 0.725 4.731 3.960 0.077 0.000 0.208 384 G C -0.429 174.347 174.900 -0.207 0.000 1.334 384 G CA -0.132 44.891 45.100 -0.129 0.000 1.024 384 G HN 0.182 nan 8.290 nan 0.000 0.574 385 Q N -1.352 118.490 119.800 0.071 0.000 2.377 385 Q HA 0.589 4.975 4.340 0.077 0.000 0.279 385 Q C -1.942 174.286 176.000 0.382 0.000 1.049 385 Q CA -0.953 54.970 55.803 0.199 0.000 0.825 385 Q CB 2.407 31.320 28.738 0.293 0.000 1.401 385 Q HN 0.469 nan 8.270 nan 0.000 0.404 386 L N 2.247 123.719 121.223 0.414 0.000 2.282 386 L HA 0.576 4.962 4.340 0.077 0.000 0.288 386 L C -1.671 175.398 176.870 0.332 0.000 1.033 386 L CA -0.449 54.584 54.840 0.321 0.000 0.807 386 L CB 1.062 43.242 42.059 0.201 0.000 1.209 386 L HN 0.708 nan 8.230 nan 0.000 0.423 387 F N 5.907 125.965 119.950 0.180 0.000 2.361 387 F HA 0.560 5.133 4.527 0.077 0.000 0.364 387 F C -0.632 175.220 175.800 0.087 0.000 1.117 387 F CA -0.602 57.484 58.000 0.143 0.000 1.071 387 F CB 1.150 40.214 39.000 0.107 0.000 1.188 387 F HN 0.226 nan 8.300 nan 0.000 0.464 388 V N 6.691 126.343 119.914 -0.436 0.000 2.383 388 V HA 0.500 4.666 4.120 0.077 0.000 0.275 388 V C 0.882 176.702 176.094 -0.456 0.000 1.036 388 V CA -0.486 61.633 62.300 -0.301 0.000 0.889 388 V CB 0.605 32.299 31.823 -0.215 0.000 0.985 388 V HN 0.907 nan 8.190 nan 0.000 0.459 389 G N 4.056 112.746 108.800 -0.183 0.000 2.570 389 G HA2 0.232 4.238 3.960 0.077 0.000 0.276 389 G HA3 0.232 4.238 3.960 0.077 0.000 0.276 389 G C -0.033 174.799 174.900 -0.114 0.000 1.346 389 G CA -0.521 44.518 45.100 -0.102 0.000 1.034 389 G HN 0.633 nan 8.290 nan 0.000 0.512 390 N N -1.427 117.228 118.700 -0.075 0.000 2.643 390 N HA 0.488 5.274 4.740 0.077 0.000 0.305 390 N C 0.719 176.189 175.510 -0.067 0.000 1.283 390 N CA 0.218 53.223 53.050 -0.076 0.000 0.946 390 N CB 1.231 39.676 38.487 -0.069 0.000 1.149 390 N HN 0.710 nan 8.380 nan 0.000 0.600 391 S N -1.039 114.615 115.700 -0.077 0.000 3.973 391 S HA -0.233 4.283 4.470 0.077 0.000 0.627 391 S C 1.143 175.688 174.600 -0.091 0.000 2.126 391 S CA 0.664 58.804 58.200 -0.099 0.000 4.069 391 S CB -1.253 61.888 63.200 -0.098 0.000 0.220 391 S HN 0.382 nan 8.310 nan 0.000 0.739 392 L N 1.897 123.068 121.223 -0.086 0.000 2.012 392 L HA -0.003 4.383 4.340 0.077 0.000 0.210 392 L C 2.844 179.684 176.870 -0.050 0.000 1.073 392 L CA 2.467 57.266 54.840 -0.068 0.000 0.748 392 L CB -1.447 40.578 42.059 -0.057 0.000 0.891 392 L HN 0.680 nan 8.230 nan 0.000 0.431 393 V N -1.082 118.806 119.914 -0.043 0.000 2.231 393 V HA -0.314 3.852 4.120 0.077 0.000 0.250 393 V C 2.527 178.596 176.094 -0.041 0.000 1.058 393 V CA 2.306 64.587 62.300 -0.032 0.000 1.022 393 V CB -0.323 31.484 31.823 -0.026 0.000 0.640 393 V HN 0.276 nan 8.190 nan 0.000 0.445 394 V N 0.006 119.883 119.914 -0.061 0.000 2.407 394 V HA -0.249 3.917 4.120 0.077 0.000 0.248 394 V C 2.711 178.768 176.094 -0.061 0.000 1.055 394 V CA 2.673 64.930 62.300 -0.072 0.000 1.049 394 V CB -0.616 31.151 31.823 -0.094 0.000 0.662 394 V HN 0.637 nan 8.190 nan 0.000 0.455 395 R N -0.638 119.827 120.500 -0.059 0.000 2.081 395 R HA -0.057 4.329 4.340 0.077 0.000 0.235 395 R C 2.236 178.510 176.300 -0.044 0.000 1.131 395 R CA 1.854 57.920 56.100 -0.056 0.000 0.960 395 R CB -0.370 29.894 30.300 -0.060 0.000 0.856 395 R HN 0.464 nan 8.270 nan 0.000 0.436 396 L N 0.133 121.337 121.223 -0.032 0.000 2.093 396 L HA -0.139 4.247 4.340 0.077 0.000 0.208 396 L C 2.255 179.124 176.870 -0.002 0.000 1.085 396 L CA 1.144 55.977 54.840 -0.012 0.000 0.755 396 L CB -0.360 41.700 42.059 0.001 0.000 0.904 396 L HN 0.196 nan 8.230 nan 0.000 0.435 397 I N 0.047 120.611 120.570 -0.011 0.000 2.315 397 I HA -0.287 3.929 4.170 0.077 0.000 0.248 397 I C 2.166 178.268 176.117 -0.025 0.000 1.117 397 I CA 1.524 62.816 61.300 -0.013 0.000 1.404 397 I CB -0.338 37.648 38.000 -0.024 0.000 1.071 397 I HN 0.282 nan 8.210 nan 0.000 0.419 398 D N 0.963 121.339 120.400 -0.039 0.000 2.178 398 D HA -0.152 4.534 4.640 0.077 0.000 0.201 398 D C 2.066 178.336 176.300 -0.051 0.000 0.980 398 D CA 1.418 55.387 54.000 -0.050 0.000 0.842 398 D CB 0.183 40.946 40.800 -0.062 0.000 0.948 398 D HN 0.314 nan 8.370 nan 0.000 0.472 399 A N -0.720 122.074 122.820 -0.042 0.000 1.997 399 A HA 0.199 4.565 4.320 0.077 0.000 0.212 399 A C 1.970 179.549 177.584 -0.008 0.000 1.178 399 A CA 0.437 52.446 52.037 -0.047 0.000 0.698 399 A CB -0.070 18.900 19.000 -0.050 0.000 0.842 399 A HN 0.326 nan 8.150 nan 0.000 0.458 400 L N -0.459 120.780 121.223 0.027 0.000 2.749 400 L HA 0.190 4.576 4.340 0.077 0.000 0.242 400 L C 0.805 177.795 176.870 0.200 0.000 1.103 400 L CA 0.364 55.260 54.840 0.094 0.000 0.906 400 L CB 0.316 42.428 42.059 0.089 0.000 1.228 400 L HN 0.362 nan 8.230 nan 0.000 0.517 401 S N -1.015 114.731 115.700 0.077 0.000 2.726 401 S HA 0.448 4.964 4.470 0.077 0.000 0.308 401 S C -0.472 174.114 174.600 -0.024 0.000 1.115 401 S CA -0.627 57.574 58.200 0.002 0.000 0.965 401 S CB 2.183 65.334 63.200 -0.082 0.000 1.145 401 S HN 0.128 nan 8.310 nan 0.000 0.532 402 Q N 1.210 120.969 119.800 -0.068 0.000 2.798 402 Q HA 0.395 4.781 4.340 0.077 0.000 0.250 402 Q C -1.336 174.613 176.000 -0.084 0.000 1.006 402 Q CA -0.393 55.378 55.803 -0.054 0.000 0.759 402 Q CB 0.210 28.925 28.738 -0.038 0.000 1.201 402 Q HN 0.731 nan 8.270 nan 0.000 0.486 403 L N 3.726 124.899 121.223 -0.084 0.000 2.485 403 L HA 0.214 4.599 4.340 0.077 0.000 0.275 403 L C -1.955 174.869 176.870 -0.076 0.000 1.207 403 L CA -1.616 53.160 54.840 -0.107 0.000 0.855 403 L CB -0.102 41.901 42.059 -0.093 0.000 1.114 403 L HN 0.418 nan 8.230 nan 0.000 0.485 404 P HA 0.064 nan 4.420 nan 0.000 0.267 404 P C -0.488 176.824 177.300 0.021 0.000 1.205 404 P CA -0.302 62.777 63.100 -0.035 0.000 0.765 404 P CB 0.669 32.347 31.700 -0.037 0.000 0.828 405 A N 3.698 126.526 122.820 0.013 0.000 2.587 405 A HA 0.344 4.710 4.320 0.077 0.000 0.235 405 A C 1.653 179.258 177.584 0.034 0.000 1.044 405 A CA 0.815 52.864 52.037 0.020 0.000 0.754 405 A CB -1.389 17.619 19.000 0.014 0.000 0.968 405 A HN 0.923 nan 8.150 nan 0.000 0.509 406 G N 0.542 109.354 108.800 0.021 0.000 2.175 406 G HA2 -0.309 3.697 3.960 0.077 0.000 0.265 406 G HA3 -0.309 3.697 3.960 0.077 0.000 0.265 406 G C 0.101 175.004 174.900 0.006 0.000 0.979 406 G CA 0.888 45.989 45.100 0.002 0.000 0.663 406 G HN 1.394 nan 8.290 nan 0.000 0.533 407 Y N 1.762 122.022 120.300 -0.066 0.000 2.404 407 Y HA 0.504 5.100 4.550 0.077 0.000 0.344 407 Y C -1.900 173.940 175.900 -0.100 0.000 0.995 407 Y CA -2.364 55.694 58.100 -0.071 0.000 1.201 407 Y CB 1.340 39.758 38.460 -0.070 0.000 1.151 407 Y HN 0.025 nan 8.280 nan 0.000 0.517 408 P HA -0.036 nan 4.420 nan 0.000 0.260 408 P C -1.214 175.994 177.300 -0.153 0.000 1.185 408 P CA 0.464 63.421 63.100 -0.238 0.000 0.763 408 P CB 0.443 32.025 31.700 -0.197 0.000 0.776 409 V N 5.632 125.332 119.914 -0.358 0.000 2.555 409 V HA 0.469 4.635 4.120 0.077 0.000 0.302 409 V C -0.522 175.241 176.094 -0.551 0.000 1.038 409 V CA -0.503 61.639 62.300 -0.264 0.000 0.887 409 V CB 1.345 33.085 31.823 -0.138 0.000 0.991 409 V HN 0.395 nan 8.190 nan 0.000 0.434 410 Y N 1.614 121.924 120.300 0.018 0.000 2.512 410 Y HA 0.755 5.351 4.550 0.077 0.000 0.348 410 Y C 0.281 175.980 175.900 -0.336 0.000 0.990 410 Y CA -0.588 57.520 58.100 0.014 0.000 1.033 410 Y CB 2.594 41.209 38.460 0.257 0.000 1.259 410 Y HN 0.751 nan 8.280 nan 0.000 0.461 411 S N 0.492 116.101 115.700 -0.152 0.000 2.588 411 S HA 0.479 4.995 4.470 0.077 0.000 0.269 411 S C -1.738 172.805 174.600 -0.097 0.000 1.157 411 S CA -1.201 56.727 58.200 -0.454 0.000 0.824 411 S CB 1.589 64.613 63.200 -0.294 0.000 1.126 411 S HN 0.520 nan 8.310 nan 0.000 0.464 412 N N 0.641 119.298 118.700 -0.071 0.000 3.091 412 N HA 0.386 5.172 4.740 0.077 0.000 0.255 412 N C -0.110 175.386 175.510 -0.022 0.000 1.204 412 N CA -0.249 52.826 53.050 0.042 0.000 0.990 412 N CB 0.839 39.398 38.487 0.120 0.000 1.260 412 N HN 0.526 nan 8.380 nan 0.000 0.502 413 R N -0.205 120.275 120.500 -0.033 0.000 2.468 413 R HA 0.306 4.692 4.340 0.077 0.000 0.280 413 R C 1.550 177.833 176.300 -0.028 0.000 0.963 413 R CA -0.098 55.975 56.100 -0.045 0.000 1.083 413 R CB 0.033 30.296 30.300 -0.062 0.000 1.200 413 R HN 0.463 nan 8.270 nan 0.000 0.541 414 G N -0.655 108.135 108.800 -0.016 0.000 2.499 414 G HA2 -0.109 3.897 3.960 0.077 0.000 0.213 414 G HA3 -0.109 3.897 3.960 0.077 0.000 0.213 414 G C 1.101 175.989 174.900 -0.019 0.000 1.230 414 G CA 0.584 45.675 45.100 -0.015 0.000 0.813 414 G HN 0.333 nan 8.290 nan 0.000 0.542 415 A N -0.752 122.054 122.820 -0.023 0.000 2.195 415 A HA 0.470 4.836 4.320 0.077 0.000 0.210 415 A C 1.557 179.124 177.584 -0.028 0.000 1.165 415 A CA 1.249 53.268 52.037 -0.031 0.000 0.806 415 A CB -0.050 18.920 19.000 -0.050 0.000 0.847 415 A HN 0.803 nan 8.150 nan 0.000 0.482 416 S N -0.990 114.693 115.700 -0.029 0.000 3.587 416 S HA -0.147 4.369 4.470 0.077 0.000 0.337 416 S C 0.865 175.439 174.600 -0.043 0.000 1.119 416 S CA 0.380 58.558 58.200 -0.036 0.000 0.976 416 S CB -2.001 61.179 63.200 -0.034 0.000 0.922 416 S HN 1.410 nan 8.310 nan 0.000 0.503 417 G N 0.714 109.484 108.800 -0.051 0.000 2.594 417 G HA2 0.462 4.468 3.960 0.077 0.000 0.243 417 G HA3 0.462 4.468 3.960 0.077 0.000 0.243 417 G C 0.715 175.527 174.900 -0.146 0.000 1.229 417 G CA -0.215 44.829 45.100 -0.093 0.000 0.843 417 G HN 0.885 nan 8.290 nan 0.000 0.578 418 I N -1.467 118.959 120.570 -0.239 0.000 3.927 418 I HA 0.277 4.493 4.170 0.077 0.000 0.332 418 I C 0.606 176.335 176.117 -0.648 0.000 1.485 418 I CA -0.322 60.813 61.300 -0.274 0.000 1.131 418 I CB 0.698 38.641 38.000 -0.095 0.000 1.092 418 I HN 0.338 nan 8.210 nan 0.000 0.410 419 D N 1.393 121.312 120.400 -0.801 0.000 2.327 419 D HA 0.055 4.741 4.640 0.077 0.000 0.205 419 D C 1.488 177.397 176.300 -0.651 0.000 0.989 419 D CA 0.861 54.210 54.000 -1.084 0.000 0.873 419 D CB 0.082 40.431 40.800 -0.752 0.000 0.955 419 D HN 0.390 nan 8.370 nan 0.000 0.515 420 G N 0.159 108.489 108.800 -0.783 0.000 4.238 420 G HA2 0.284 4.290 3.960 0.077 0.000 0.292 420 G HA3 0.284 4.290 3.960 0.077 0.000 0.292 420 G C 1.028 175.603 174.900 -0.541 0.000 1.036 420 G CA -0.316 44.105 45.100 -1.131 0.000 0.812 420 G HN 0.126 nan 8.290 nan 0.000 0.489 421 L N -0.035 121.028 121.223 -0.268 0.000 2.056 421 L HA 0.051 4.437 4.340 0.077 0.000 0.207 421 L C 2.697 179.481 176.870 -0.145 0.000 1.078 421 L CA 0.897 55.709 54.840 -0.046 0.000 0.749 421 L CB -0.213 41.894 42.059 0.080 0.000 0.901 421 L HN 0.215 nan 8.230 nan 0.000 0.433 422 L N -0.574 120.553 121.223 -0.160 0.000 2.056 422 L HA -0.145 4.241 4.340 0.077 0.000 0.207 422 L C 2.812 179.529 176.870 -0.254 0.000 1.078 422 L CA 1.688 56.417 54.840 -0.185 0.000 0.749 422 L CB -0.767 41.209 42.059 -0.140 0.000 0.901 422 L HN 0.407 nan 8.230 nan 0.000 0.433 423 S N -1.793 113.759 115.700 -0.247 0.000 2.414 423 S HA -0.107 4.409 4.470 0.077 0.000 0.227 423 S C 1.923 176.368 174.600 -0.260 0.000 1.022 423 S CA 1.141 59.187 58.200 -0.256 0.000 0.958 423 S CB -0.553 62.520 63.200 -0.213 0.000 0.797 423 S HN 0.282 nan 8.310 nan 0.000 0.493 424 T N 3.064 117.464 114.554 -0.256 0.000 2.684 424 T HA -0.022 4.374 4.350 0.077 0.000 0.267 424 T C 2.243 176.579 174.700 -0.606 0.000 1.036 424 T CA 1.555 63.470 62.100 -0.309 0.000 1.148 424 T CB -0.919 67.846 68.868 -0.173 0.000 0.863 424 T HN 0.616 nan 8.240 nan 0.000 0.436 425 A N 1.725 124.022 122.820 -0.871 0.000 1.873 425 A HA -0.036 4.330 4.320 0.077 0.000 0.218 425 A C 2.691 180.011 177.584 -0.439 0.000 1.193 425 A CA 2.317 53.849 52.037 -0.842 0.000 0.629 425 A CB -1.367 17.273 19.000 -0.600 0.000 0.826 425 A HN 0.541 nan 8.150 nan 0.000 0.447 426 A N -0.693 121.925 122.820 -0.336 0.000 1.892 426 A HA 0.005 4.371 4.320 0.077 0.000 0.218 426 A C 2.487 179.912 177.584 -0.265 0.000 1.188 426 A CA 2.368 54.255 52.037 -0.250 0.000 0.631 426 A CB -1.577 17.277 19.000 -0.242 0.000 0.822 426 A HN 0.880 nan 8.150 nan 0.000 0.447 427 G N -0.588 108.024 108.800 -0.313 0.000 2.459 427 G HA2 -0.154 3.852 3.960 0.077 0.000 0.217 427 G HA3 -0.154 3.852 3.960 0.077 0.000 0.217 427 G C 1.546 176.250 174.900 -0.326 0.000 1.183 427 G CA 1.408 46.307 45.100 -0.335 0.000 0.776 427 G HN 0.357 nan 8.290 nan 0.000 0.552 428 V N 1.765 121.470 119.914 -0.348 0.000 2.252 428 V HA -0.313 3.853 4.120 0.077 0.000 0.249 428 V C 2.929 178.863 176.094 -0.266 0.000 1.056 428 V CA 2.731 64.816 62.300 -0.359 0.000 1.022 428 V CB -0.737 30.864 31.823 -0.369 0.000 0.641 428 V HN 0.666 nan 8.190 nan 0.000 0.445 429 Q N 0.761 120.448 119.800 -0.188 0.000 2.046 429 Q HA -0.201 4.185 4.340 0.077 0.000 0.200 429 Q C 2.121 178.069 176.000 -0.086 0.000 0.975 429 Q CA 1.933 57.679 55.803 -0.095 0.000 0.836 429 Q CB -0.611 28.107 28.738 -0.033 0.000 0.896 429 Q HN 0.482 nan 8.270 nan 0.000 0.428 430 R N 0.395 120.828 120.500 -0.111 0.000 2.112 430 R HA -0.192 4.194 4.340 0.077 0.000 0.242 430 R C 2.412 178.666 176.300 -0.076 0.000 1.137 430 R CA 2.216 58.271 56.100 -0.074 0.000 0.944 430 R CB -0.982 29.243 30.300 -0.124 0.000 0.857 430 R HN 0.495 nan 8.270 nan 0.000 0.435 431 A N -0.140 122.568 122.820 -0.187 0.000 1.884 431 A HA -0.261 4.105 4.320 0.077 0.000 0.219 431 A C 2.140 179.694 177.584 -0.050 0.000 1.197 431 A CA 2.536 54.468 52.037 -0.174 0.000 0.637 431 A CB -0.699 18.152 19.000 -0.248 0.000 0.827 431 A HN 0.547 nan 8.150 nan 0.000 0.450 432 S N -3.422 112.239 115.700 -0.065 0.000 2.483 432 S HA 0.418 4.934 4.470 0.077 0.000 0.221 432 S C 1.573 176.172 174.600 -0.001 0.000 1.030 432 S CA 1.112 59.296 58.200 -0.026 0.000 0.925 432 S CB 0.203 63.379 63.200 -0.039 0.000 0.795 432 S HN 2.013 nan 8.310 nan 0.000 0.511 433 G N 1.544 110.345 108.800 0.002 0.000 2.195 433 G HA2 -0.240 3.766 3.960 0.077 0.000 0.246 433 G HA3 -0.240 3.766 3.960 0.077 0.000 0.246 433 G C -0.015 174.897 174.900 0.020 0.000 0.984 433 G CA 0.109 45.221 45.100 0.020 0.000 0.633 433 G HN 0.554 nan 8.290 nan 0.000 0.525 434 K N 1.920 122.326 120.400 0.010 0.000 2.355 434 K HA 0.332 4.698 4.320 0.077 0.000 0.270 434 K C -2.110 174.514 176.600 0.041 0.000 1.003 434 K CA -1.253 55.040 56.287 0.009 0.000 0.957 434 K CB 0.707 33.204 32.500 -0.005 0.000 0.939 434 K HN 0.130 nan 8.250 nan 0.000 0.482 435 P HA -0.068 nan 4.420 nan 0.000 0.265 435 P C -0.746 176.625 177.300 0.118 0.000 1.187 435 P CA 0.329 63.479 63.100 0.084 0.000 0.766 435 P CB 0.449 32.104 31.700 -0.075 0.000 0.820 436 T N 3.230 117.952 114.554 0.279 0.000 2.921 436 T HA 0.439 4.835 4.350 0.077 0.000 0.297 436 T C -0.755 174.207 174.700 0.437 0.000 1.013 436 T CA -0.396 61.872 62.100 0.281 0.000 0.990 436 T CB 1.145 70.118 68.868 0.174 0.000 1.023 436 T HN 0.222 nan 8.240 nan 0.000 0.447 437 L N 3.255 124.730 121.223 0.420 0.000 2.325 437 L HA 0.874 5.260 4.340 0.077 0.000 0.281 437 L C -0.772 176.290 176.870 0.319 0.000 1.004 437 L CA -0.492 54.609 54.840 0.435 0.000 0.823 437 L CB 0.861 43.211 42.059 0.485 0.000 1.236 437 L HN 0.793 nan 8.230 nan 0.000 0.415 438 A N 6.425 129.397 122.820 0.253 0.000 2.319 438 A HA 0.673 5.038 4.320 0.077 0.000 0.310 438 A C -1.055 176.630 177.584 0.169 0.000 1.152 438 A CA -0.442 51.746 52.037 0.251 0.000 0.783 438 A CB 0.753 19.870 19.000 0.195 0.000 1.184 438 A HN 0.821 nan 8.150 nan 0.000 0.474 439 I N 3.132 123.795 120.570 0.156 0.000 2.404 439 I HA 0.771 4.987 4.170 0.077 0.000 0.293 439 I C -1.400 174.749 176.117 0.052 0.000 0.992 439 I CA -0.719 60.630 61.300 0.081 0.000 1.149 439 I CB 1.476 39.522 38.000 0.076 0.000 1.315 439 I HN 0.442 nan 8.210 nan 0.000 0.446 440 V N 6.141 126.058 119.914 0.005 0.000 3.049 440 V HA 0.730 4.895 4.120 0.077 0.000 0.309 440 V C 0.331 176.397 176.094 -0.046 0.000 1.148 440 V CA -0.236 62.058 62.300 -0.010 0.000 0.990 440 V CB 2.166 33.984 31.823 -0.008 0.000 1.039 440 V HN 0.894 nan 8.190 nan 0.000 0.430 441 G N 1.612 110.397 108.800 -0.025 0.000 2.580 441 G HA2 0.280 4.285 3.960 0.077 0.000 0.278 441 G HA3 0.280 4.285 3.960 0.077 0.000 0.278 441 G C 0.667 175.566 174.900 -0.001 0.000 1.212 441 G CA 0.446 45.540 45.100 -0.011 0.000 0.939 441 G HN 0.858 nan 8.290 nan 0.000 0.513 442 D N -0.426 120.013 120.400 0.065 0.000 2.123 442 D HA -0.136 4.550 4.640 0.077 0.000 0.200 442 D C 2.376 178.838 176.300 0.271 0.000 0.976 442 D CA 0.606 54.727 54.000 0.201 0.000 0.831 442 D CB -0.134 40.845 40.800 0.298 0.000 0.974 442 D HN 0.331 nan 8.370 nan 0.000 0.469 443 L N 0.947 122.284 121.223 0.191 0.000 2.046 443 L HA -0.155 4.231 4.340 0.077 0.000 0.208 443 L C 2.861 179.867 176.870 0.227 0.000 1.077 443 L CA 1.118 56.077 54.840 0.199 0.000 0.747 443 L CB -0.508 41.660 42.059 0.183 0.000 0.896 443 L HN 0.021 nan 8.230 nan 0.000 0.432 444 S N 0.225 116.023 115.700 0.163 0.000 2.359 444 S HA -0.252 4.264 4.470 0.077 0.000 0.223 444 S C 2.184 176.858 174.600 0.124 0.000 1.039 444 S CA 1.487 59.759 58.200 0.120 0.000 1.042 444 S CB -0.412 62.812 63.200 0.039 0.000 0.915 444 S HN 0.526 nan 8.310 nan 0.000 0.439 445 A N 1.034 123.903 122.820 0.080 0.000 1.933 445 A HA -0.004 4.362 4.320 0.077 0.000 0.218 445 A C 2.143 179.876 177.584 0.250 0.000 1.175 445 A CA 1.175 53.248 52.037 0.061 0.000 0.628 445 A CB -0.679 18.180 19.000 -0.234 0.000 0.814 445 A HN 0.453 nan 8.150 nan 0.000 0.444 446 L N -2.528 118.895 121.223 0.333 0.000 2.093 446 L HA -0.158 4.228 4.340 0.077 0.000 0.208 446 L C 2.489 179.484 176.870 0.208 0.000 1.085 446 L CA 1.379 56.387 54.840 0.280 0.000 0.755 446 L CB -0.497 41.683 42.059 0.202 0.000 0.904 446 L HN 0.572 nan 8.230 nan 0.000 0.435 447 Y N 0.106 120.461 120.300 0.092 0.000 2.114 447 Y HA -0.286 4.309 4.550 0.076 0.000 0.284 447 Y C 1.696 177.623 175.900 0.046 0.000 1.143 447 Y CA 1.510 59.644 58.100 0.058 0.000 1.135 447 Y CB 0.270 38.751 38.460 0.035 0.000 0.980 447 Y HN 0.090 nan 8.280 nan 0.000 0.499 448 D N -0.044 120.511 120.400 0.258 0.000 2.895 448 D HA 0.032 4.718 4.640 0.077 0.000 0.258 448 D C 1.241 177.592 176.300 0.085 0.000 1.311 448 D CA -0.017 54.058 54.000 0.124 0.000 0.843 448 D CB -0.046 40.745 40.800 -0.014 0.000 1.055 448 D HN 0.242 nan 8.370 nan 0.000 0.486 449 L N 1.618 122.924 121.223 0.138 0.000 1.989 449 L HA -0.177 4.209 4.340 0.077 0.000 0.211 449 L C 1.696 178.599 176.870 0.055 0.000 1.071 449 L CA 1.877 56.795 54.840 0.130 0.000 0.749 449 L CB -0.836 41.334 42.059 0.185 0.000 0.890 449 L HN 0.214 nan 8.230 nan 0.000 0.431 450 N N 0.074 118.860 118.700 0.143 0.000 2.520 450 N HA -0.092 4.694 4.740 0.077 0.000 0.185 450 N C 1.559 177.089 175.510 0.033 0.000 1.068 450 N CA 1.140 54.319 53.050 0.214 0.000 0.911 450 N CB -0.827 37.983 38.487 0.540 0.000 0.961 450 N HN 0.369 nan 8.380 nan 0.000 0.446 451 A N 0.943 123.718 122.820 -0.075 0.000 2.076 451 A HA -0.010 4.356 4.320 0.077 0.000 0.220 451 A C 2.152 179.552 177.584 -0.307 0.000 1.160 451 A CA 0.706 52.605 52.037 -0.231 0.000 0.653 451 A CB -0.840 18.037 19.000 -0.206 0.000 0.801 451 A HN 0.367 nan 8.150 nan 0.000 0.455 452 L N -1.012 119.958 121.223 -0.421 0.000 2.263 452 L HA -0.275 4.111 4.340 0.077 0.000 0.216 452 L C 2.974 179.494 176.870 -0.583 0.000 1.111 452 L CA 0.821 55.316 54.840 -0.574 0.000 0.773 452 L CB -0.540 41.036 42.059 -0.805 0.000 0.906 452 L HN 0.491 nan 8.230 nan 0.000 0.439 453 A N 0.270 122.796 122.820 -0.490 0.000 1.877 453 A HA -0.163 4.203 4.320 0.077 0.000 0.216 453 A C 2.207 179.822 177.584 0.051 0.000 1.186 453 A CA 1.359 53.445 52.037 0.082 0.000 0.620 453 A CB -0.599 18.706 19.000 0.508 0.000 0.822 453 A HN 0.375 nan 8.150 nan 0.000 0.443 454 L N -0.538 120.615 121.223 -0.117 0.000 2.131 454 L HA -0.118 4.268 4.340 0.077 0.000 0.210 454 L C 2.142 178.963 176.870 -0.081 0.000 1.092 454 L CA 0.687 55.445 54.840 -0.137 0.000 0.759 454 L CB -0.457 41.413 42.059 -0.316 0.000 0.903 454 L HN 0.352 nan 8.230 nan 0.000 0.435 455 L N -0.597 120.564 121.223 -0.103 0.000 2.551 455 L HA -0.114 4.272 4.340 0.077 0.000 0.228 455 L C 2.352 179.226 176.870 0.006 0.000 1.153 455 L CA 0.456 55.258 54.840 -0.063 0.000 0.851 455 L CB -0.356 41.648 42.059 -0.091 0.000 0.959 455 L HN 0.207 nan 8.230 nan 0.000 0.451 456 R N -0.335 120.193 120.500 0.047 0.000 2.189 456 R HA -0.027 4.359 4.340 0.077 0.000 0.218 456 R C 0.526 176.870 176.300 0.074 0.000 1.074 456 R CA 0.627 56.780 56.100 0.088 0.000 0.991 456 R CB 0.064 30.449 30.300 0.141 0.000 0.883 456 R HN 0.353 nan 8.270 nan 0.000 0.457 457 Q N 0.465 120.301 119.800 0.059 0.000 2.508 457 Q HA 0.323 4.709 4.340 0.077 0.000 0.247 457 Q C -1.576 174.453 176.000 0.049 0.000 1.047 457 Q CA -0.321 55.520 55.803 0.063 0.000 0.783 457 Q CB 2.056 30.842 28.738 0.080 0.000 1.172 457 Q HN -0.059 nan 8.270 nan 0.000 0.515 458 V N 1.190 121.134 119.914 0.050 0.000 2.735 458 V HA 0.215 4.380 4.120 0.077 0.000 0.310 458 V C 0.674 176.803 176.094 0.060 0.000 1.061 458 V CA -0.058 62.269 62.300 0.045 0.000 0.913 458 V CB 2.269 34.116 31.823 0.040 0.000 1.005 458 V HN 0.815 nan 8.190 nan 0.000 0.428 459 S N 3.042 118.778 115.700 0.059 0.000 2.548 459 S HA 0.534 5.050 4.470 0.077 0.000 0.215 459 S C 0.393 175.034 174.600 0.068 0.000 0.976 459 S CA 0.393 58.630 58.200 0.062 0.000 0.908 459 S CB 0.382 63.617 63.200 0.060 0.000 0.781 459 S HN 1.264 nan 8.310 nan 0.000 0.519 460 A N 1.453 124.322 122.820 0.081 0.000 2.594 460 A HA 0.764 5.130 4.320 0.077 0.000 0.291 460 A C -3.206 174.470 177.584 0.152 0.000 1.105 460 A CA -2.082 50.020 52.037 0.108 0.000 0.694 460 A CB 0.562 19.618 19.000 0.094 0.000 1.291 460 A HN 0.107 nan 8.150 nan 0.000 0.410 461 P HA 0.146 nan 4.420 nan 0.000 0.261 461 P C -0.790 176.703 177.300 0.321 0.000 1.173 461 P CA 0.619 63.891 63.100 0.286 0.000 0.760 461 P CB 0.321 32.326 31.700 0.508 0.000 0.783 462 L N 4.584 125.918 121.223 0.184 0.000 2.325 462 L HA 0.392 4.778 4.340 0.077 0.000 0.281 462 L C -0.774 176.124 176.870 0.046 0.000 1.004 462 L CA -0.929 54.008 54.840 0.161 0.000 0.823 462 L CB 1.605 43.713 42.059 0.082 0.000 1.236 462 L HN 0.002 nan 8.230 nan 0.000 0.415 463 V N 6.105 126.037 119.914 0.030 0.000 2.350 463 V HA 0.247 4.413 4.120 0.077 0.000 0.276 463 V C -0.137 175.955 176.094 -0.004 0.000 1.028 463 V CA -0.460 61.769 62.300 -0.119 0.000 0.860 463 V CB 1.517 33.146 31.823 -0.323 0.000 0.990 463 V HN 0.535 nan 8.190 nan 0.000 0.453 464 L N 7.767 128.960 121.223 -0.050 0.000 2.287 464 L HA 0.523 4.909 4.340 0.077 0.000 0.280 464 L C -0.095 176.725 176.870 -0.082 0.000 1.055 464 L CA 0.324 55.142 54.840 -0.038 0.000 0.863 464 L CB 0.451 42.479 42.059 -0.051 0.000 1.245 464 L HN 0.507 nan 8.230 nan 0.000 0.432 465 I N 5.727 126.267 120.570 -0.050 0.000 2.421 465 I HA 0.108 4.324 4.170 0.077 0.000 0.291 465 I C -0.324 175.729 176.117 -0.107 0.000 1.089 465 I CA -0.260 60.989 61.300 -0.085 0.000 1.354 465 I CB 0.749 38.739 38.000 -0.017 0.000 1.413 465 I HN 0.263 nan 8.210 nan 0.000 0.513 466 V N 8.140 127.949 119.914 -0.174 0.000 2.334 466 V HA 0.142 4.307 4.120 0.077 0.000 0.267 466 V C 0.334 176.336 176.094 -0.153 0.000 1.040 466 V CA -0.650 61.502 62.300 -0.247 0.000 0.866 466 V CB 1.260 32.741 31.823 -0.570 0.000 1.019 466 V HN 0.365 nan 8.190 nan 0.000 0.468 467 V N 5.077 124.931 119.914 -0.100 0.000 2.415 467 V HA 0.163 4.329 4.120 0.077 0.000 0.267 467 V C 0.518 176.606 176.094 -0.009 0.000 1.042 467 V CA -0.030 62.236 62.300 -0.056 0.000 1.000 467 V CB 0.860 32.657 31.823 -0.044 0.000 1.015 467 V HN 0.863 nan 8.190 nan 0.000 0.478 468 N N 4.962 123.685 118.700 0.039 0.000 2.609 468 N HA 0.201 4.987 4.740 0.077 0.000 0.234 468 N C 0.293 175.850 175.510 0.078 0.000 1.001 468 N CA -0.545 52.576 53.050 0.118 0.000 0.926 468 N CB 0.729 39.362 38.487 0.243 0.000 1.130 468 N HN 0.712 nan 8.380 nan 0.000 0.510 469 N N 2.226 120.962 118.700 0.060 0.000 2.321 469 N HA 0.097 4.883 4.740 0.077 0.000 0.242 469 N C -0.410 175.130 175.510 0.050 0.000 1.141 469 N CA -0.446 52.630 53.050 0.043 0.000 0.864 469 N CB -0.342 38.161 38.487 0.026 0.000 1.100 469 N HN 0.276 nan 8.380 nan 0.000 0.510 470 N N 0.430 119.163 118.700 0.055 0.000 2.642 470 N HA -0.119 4.667 4.740 0.077 0.000 0.269 470 N C 0.024 175.567 175.510 0.054 0.000 1.073 470 N CA 1.532 54.605 53.050 0.038 0.000 0.748 470 N CB -1.281 37.214 38.487 0.013 0.000 0.894 470 N HN 0.962 nan 8.380 nan 0.000 0.548 471 G N -1.373 107.474 108.800 0.078 0.000 2.371 471 G HA2 0.361 4.367 3.960 0.077 0.000 0.663 471 G HA3 0.361 4.367 3.960 0.077 0.000 0.663 471 G C 0.177 175.153 174.900 0.127 0.000 1.311 471 G CA 0.050 45.212 45.100 0.102 0.000 0.985 471 G HN 0.898 nan 8.290 nan 0.000 0.566 472 G N -0.161 108.754 108.800 0.191 0.000 2.778 472 G HA2 0.419 4.425 3.960 0.077 0.000 0.287 472 G HA3 0.419 4.425 3.960 0.077 0.000 0.287 472 G C 0.892 175.894 174.900 0.170 0.000 0.747 472 G CA 0.133 45.358 45.100 0.210 0.000 1.961 472 G HN 0.539 nan 8.290 nan 0.000 0.539 473 Q N 1.581 121.420 119.800 0.065 0.000 2.488 473 Q HA -0.059 4.327 4.340 0.077 0.000 0.211 473 Q C 2.289 178.267 176.000 -0.037 0.000 0.967 473 Q CA 0.098 55.927 55.803 0.043 0.000 0.926 473 Q CB 0.023 28.779 28.738 0.030 0.000 0.992 473 Q HN 0.835 nan 8.270 nan 0.000 0.506 474 I N -0.124 120.340 120.570 -0.178 0.000 2.315 474 I HA -0.281 3.934 4.170 0.077 0.000 0.251 474 I C 1.183 177.121 176.117 -0.298 0.000 1.125 474 I CA 1.176 62.292 61.300 -0.307 0.000 1.392 474 I CB -0.038 37.670 38.000 -0.487 0.000 1.065 474 I HN 0.025 nan 8.210 nan 0.000 0.424 475 F N -0.230 119.755 119.950 0.059 0.000 2.748 475 F HA -0.034 4.538 4.527 0.076 0.000 0.299 475 F C 2.385 178.178 175.800 -0.011 0.000 1.154 475 F CA 0.402 58.431 58.000 0.048 0.000 1.446 475 F CB -0.374 38.717 39.000 0.151 0.000 1.112 475 F HN -0.005 nan 8.300 nan 0.000 0.584 476 S N 0.308 116.075 115.700 0.112 0.000 2.395 476 S HA -0.089 4.427 4.470 0.077 0.000 0.225 476 S C 1.931 176.542 174.600 0.019 0.000 1.027 476 S CA 0.483 58.716 58.200 0.054 0.000 0.965 476 S CB -0.275 62.951 63.200 0.043 0.000 0.812 476 S HN 0.298 nan 8.310 nan 0.000 0.482 477 L N 1.752 122.973 121.223 -0.004 0.000 2.056 477 L HA 0.182 4.567 4.340 0.077 0.000 0.207 477 L C 0.352 177.217 176.870 -0.010 0.000 1.078 477 L CA 1.370 56.199 54.840 -0.018 0.000 0.749 477 L CB -0.561 41.471 42.059 -0.044 0.000 0.901 477 L HN 0.202 nan 8.230 nan 0.000 0.433 478 L N 1.610 122.834 121.223 0.002 0.000 2.417 478 L HA 0.239 4.625 4.340 0.077 0.000 0.268 478 L C -1.633 175.242 176.870 0.009 0.000 1.158 478 L CA -1.625 53.227 54.840 0.022 0.000 0.819 478 L CB -0.056 42.047 42.059 0.073 0.000 1.112 478 L HN 0.055 nan 8.230 nan 0.000 0.458 479 P HA 0.014 nan 4.420 nan 0.000 0.237 479 P C -0.076 177.184 177.300 -0.065 0.000 1.701 479 P CA -0.247 62.838 63.100 -0.024 0.000 0.955 479 P CB -0.896 30.797 31.700 -0.012 0.000 1.937 480 T N -0.724 113.757 114.554 -0.121 0.000 2.899 480 T HA 0.357 4.753 4.350 0.077 0.000 0.295 480 T C -2.164 172.413 174.700 -0.205 0.000 1.033 480 T CA -2.013 59.914 62.100 -0.288 0.000 1.084 480 T CB -0.092 68.426 68.868 -0.583 0.000 0.979 480 T HN 0.079 nan 8.240 nan 0.000 0.532 481 P HA 0.168 nan 4.420 nan 0.000 0.276 481 P C 0.502 177.769 177.300 -0.055 0.000 1.243 481 P CA -0.249 62.800 63.100 -0.085 0.000 0.768 481 P CB 1.196 32.873 31.700 -0.038 0.000 0.856 482 Q N 3.981 123.767 119.800 -0.023 0.000 2.096 482 Q HA -0.234 4.152 4.340 0.077 0.000 0.208 482 Q C 2.004 178.021 176.000 0.030 0.000 0.993 482 Q CA 2.930 58.733 55.803 0.000 0.000 0.862 482 Q CB -0.865 27.877 28.738 0.006 0.000 0.915 482 Q HN 0.570 nan 8.270 nan 0.000 0.416 483 S N -0.270 115.456 115.700 0.042 0.000 2.447 483 S HA -0.098 4.418 4.470 0.077 0.000 0.233 483 S C 0.914 175.584 174.600 0.117 0.000 1.006 483 S CA 1.056 59.295 58.200 0.065 0.000 0.957 483 S CB -0.179 63.055 63.200 0.057 0.000 0.773 483 S HN 0.594 nan 8.310 nan 0.000 0.507 484 E N 0.907 121.207 120.200 0.167 0.000 2.651 484 E HA 0.243 4.639 4.350 0.077 0.000 0.208 484 E C 1.294 178.120 176.600 0.377 0.000 0.997 484 E CA -0.314 56.282 56.400 0.326 0.000 1.020 484 E CB -0.170 29.821 29.700 0.484 0.000 1.052 484 E HN 0.636 nan 8.360 nan 0.000 0.465 485 R N 1.549 122.173 120.500 0.207 0.000 2.073 485 R HA -0.019 4.367 4.340 0.077 0.000 0.229 485 R C 1.988 178.394 176.300 0.177 0.000 1.120 485 R CA 1.311 57.522 56.100 0.185 0.000 0.967 485 R CB 0.084 30.408 30.300 0.039 0.000 0.862 485 R HN 0.101 nan 8.270 nan 0.000 0.436 486 E N 0.213 120.472 120.200 0.097 0.000 2.051 486 E HA -0.221 4.175 4.350 0.077 0.000 0.192 486 E C 2.128 178.719 176.600 -0.015 0.000 0.991 486 E CA 1.114 57.541 56.400 0.046 0.000 0.799 486 E CB 0.024 29.732 29.700 0.013 0.000 0.748 486 E HN 0.267 nan 8.360 nan 0.000 0.449 487 R N -0.808 119.633 120.500 -0.098 0.000 2.073 487 R HA -0.055 4.331 4.340 0.077 0.000 0.229 487 R C 1.689 177.726 176.300 -0.439 0.000 1.120 487 R CA 1.121 57.007 56.100 -0.358 0.000 0.967 487 R CB 0.031 29.943 30.300 -0.646 0.000 0.862 487 R HN 0.144 nan 8.270 nan 0.000 0.436 488 F N -2.164 117.777 119.950 -0.014 0.000 2.695 488 F HA 0.182 4.755 4.527 0.076 0.000 0.303 488 F C 0.726 176.284 175.800 -0.403 0.000 1.091 488 F CA -0.158 57.739 58.000 -0.173 0.000 1.300 488 F CB 0.564 39.454 39.000 -0.183 0.000 1.071 488 F HN 0.004 nan 8.300 nan 0.000 0.578 489 Y N -1.013 119.259 120.300 -0.047 0.000 3.011 489 Y HA 0.302 4.898 4.550 0.077 0.000 0.231 489 Y C 1.130 176.963 175.900 -0.112 0.000 0.983 489 Y CA -0.412 57.525 58.100 -0.271 0.000 1.429 489 Y CB -0.053 38.272 38.460 -0.226 0.000 1.491 489 Y HN -0.365 nan 8.280 nan 0.000 0.444 493 Q N 0.262 120.049 119.800 -0.023 0.000 2.282 493 Q HA 0.112 4.498 4.340 0.077 0.000 0.206 493 Q C -0.070 175.878 176.000 -0.086 0.000 0.878 493 Q CA 0.009 55.782 55.803 -0.050 0.000 0.944 493 Q CB 0.209 28.922 28.738 -0.043 0.000 1.100 493 Q HN 0.479 nan 8.270 nan 0.000 0.509 494 N N 0.604 119.247 118.700 -0.094 0.000 2.667 494 N HA -0.171 4.615 4.740 0.077 0.000 0.263 494 N C -0.871 174.520 175.510 -0.199 0.000 1.038 494 N CA 0.536 53.508 53.050 -0.130 0.000 0.749 494 N CB -1.098 37.339 38.487 -0.082 0.000 0.892 494 N HN 0.100 nan 8.380 nan 0.000 0.546 495 V N 0.233 119.965 119.914 -0.304 0.000 3.181 495 V HA 0.558 4.724 4.120 0.077 0.000 0.308 495 V C -0.681 175.065 176.094 -0.581 0.000 1.214 495 V CA -0.713 61.366 62.300 -0.368 0.000 1.053 495 V CB 2.605 34.235 31.823 -0.322 0.000 1.069 495 V HN 0.444 nan 8.190 nan 0.000 0.441 496 H N 1.888 120.801 119.070 -0.261 0.000 2.908 496 H HA 0.495 5.097 4.556 0.076 0.000 0.350 496 H C -0.885 174.209 175.328 -0.389 0.000 1.217 496 H CA -0.336 55.607 56.048 -0.175 0.000 1.168 496 H CB 1.860 31.621 29.762 -0.000 0.000 1.891 496 H HN 0.598 nan 8.280 nan 0.000 0.566 497 F N -0.471 119.614 119.950 0.224 0.000 2.682 497 F HA 0.142 4.715 4.527 0.076 0.000 0.308 497 F C 2.093 177.821 175.800 -0.120 0.000 1.093 497 F CA -0.089 57.995 58.000 0.140 0.000 1.244 497 F CB 0.556 39.692 39.000 0.226 0.000 1.052 497 F HN 0.543 nan 8.300 nan 0.000 0.573 498 E N 0.226 120.155 120.200 -0.451 0.000 2.070 498 E HA -0.243 4.153 4.350 0.077 0.000 0.197 498 E C 1.891 178.158 176.600 -0.554 0.000 1.004 498 E CA 1.627 57.308 56.400 -1.198 0.000 0.805 498 E CB -0.040 29.033 29.700 -1.045 0.000 0.744 498 E HN 0.429 nan 8.360 nan 0.000 0.451 499 H N -0.755 118.184 119.070 -0.219 0.000 2.457 499 H HA -0.019 4.582 4.556 0.076 0.000 0.294 499 H C 1.937 177.258 175.328 -0.011 0.000 1.064 499 H CA 1.098 57.081 56.048 -0.108 0.000 1.330 499 H CB -0.086 29.625 29.762 -0.086 0.000 1.395 499 H HN 0.291 nan 8.280 nan 0.000 0.541 500 A N 1.215 124.137 122.820 0.170 0.000 1.858 500 A HA -0.107 4.259 4.320 0.077 0.000 0.216 500 A C 2.719 180.506 177.584 0.339 0.000 1.190 500 A CA 1.803 54.018 52.037 0.297 0.000 0.617 500 A CB -0.888 18.335 19.000 0.372 0.000 0.827 500 A HN 0.412 nan 8.150 nan 0.000 0.443 501 A N -0.108 122.848 122.820 0.226 0.000 1.933 501 A HA 0.328 4.694 4.320 0.077 0.000 0.218 501 A C 1.771 179.448 177.584 0.156 0.000 1.175 501 A CA 1.449 53.616 52.037 0.216 0.000 0.628 501 A CB -1.188 17.945 19.000 0.222 0.000 0.814 501 A HN 1.154 nan 8.150 nan 0.000 0.444 505 E N 1.181 121.477 120.200 0.160 0.000 2.553 505 E HA -0.177 4.219 4.350 0.077 0.000 0.264 505 E C -0.803 175.867 176.600 0.117 0.000 1.068 505 E CA 0.297 56.761 56.400 0.106 0.000 0.774 505 E CB -1.519 28.230 29.700 0.081 0.000 1.349 505 E HN 0.332 nan 8.360 nan 0.000 0.404 506 L N 0.480 121.786 121.223 0.140 0.000 2.331 506 L HA 0.413 4.799 4.340 0.077 0.000 0.275 506 L C 0.872 177.806 176.870 0.107 0.000 1.022 506 L CA -0.929 53.982 54.840 0.119 0.000 0.812 506 L CB 1.032 43.169 42.059 0.130 0.000 1.257 506 L HN -0.097 nan 8.230 nan 0.000 0.435 507 K N 1.569 122.018 120.400 0.081 0.000 2.485 507 K HA 0.076 4.442 4.320 0.077 0.000 0.277 507 K C -1.129 175.538 176.600 0.112 0.000 0.990 507 K CA 0.313 56.637 56.287 0.063 0.000 0.994 507 K CB 0.526 33.062 32.500 0.059 0.000 0.906 507 K HN 0.410 nan 8.250 nan 0.000 0.488 508 Y N 2.302 122.535 120.300 -0.112 0.000 2.499 508 Y HA 0.301 4.896 4.550 0.076 0.000 0.347 508 Y C -0.837 174.899 175.900 -0.274 0.000 0.987 508 Y CA -0.686 57.357 58.100 -0.094 0.000 1.044 508 Y CB 1.548 39.968 38.460 -0.067 0.000 1.245 508 Y HN 0.557 nan 8.280 nan 0.000 0.461 509 H N 5.160 123.762 119.070 -0.781 0.000 2.865 509 H HA 0.419 5.021 4.556 0.076 0.000 0.362 509 H C -1.061 173.774 175.328 -0.822 0.000 1.114 509 H CA -1.001 54.697 56.048 -0.583 0.000 1.208 509 H CB 2.403 31.925 29.762 -0.400 0.000 1.727 509 H HN 0.522 nan 8.280 nan 0.000 0.534 510 R N 3.335 123.624 120.500 -0.351 0.000 2.629 510 R HA 0.220 4.605 4.340 0.077 0.000 0.277 510 R C -2.840 173.411 176.300 -0.081 0.000 1.637 510 R CA -1.632 54.339 56.100 -0.216 0.000 1.663 510 R CB 0.624 30.905 30.300 -0.031 0.000 1.228 510 R HN 0.425 nan 8.270 nan 0.000 0.632 511 P HA 0.059 nan 4.420 nan 0.000 0.268 511 P C -0.047 177.240 177.300 -0.021 0.000 1.205 511 P CA -0.022 63.045 63.100 -0.054 0.000 0.771 511 P CB 1.047 32.715 31.700 -0.054 0.000 0.858 512 Q N 1.247 120.947 119.800 -0.167 0.000 2.356 512 Q HA 0.099 4.485 4.340 0.077 0.000 0.205 512 Q C 0.244 175.766 176.000 -0.797 0.000 0.901 512 Q CA 0.558 56.210 55.803 -0.251 0.000 0.938 512 Q CB -0.020 28.618 28.738 -0.168 0.000 1.081 512 Q HN 0.692 nan 8.270 nan 0.000 0.517 513 N N -2.744 115.287 118.700 -1.115 0.000 3.179 513 N HA 0.083 4.869 4.740 0.077 0.000 0.250 513 N C -0.460 174.448 175.510 -1.003 0.000 1.507 513 N CA -0.778 51.285 53.050 -1.646 0.000 0.883 513 N CB -0.484 37.555 38.487 -0.747 0.000 1.435 513 N HN -0.103 nan 8.380 nan 0.000 0.532 514 W N -0.755 120.325 121.300 -0.367 0.000 2.363 514 W HA -0.101 4.605 4.660 0.076 0.000 0.296 514 W C 2.386 178.929 176.519 0.040 0.000 1.212 514 W CA 1.277 58.651 57.345 0.048 0.000 1.260 514 W CB -0.181 29.376 29.460 0.162 0.000 1.131 514 W HN 0.774 nan 8.180 nan 0.000 0.530 515 Q N 1.329 121.230 119.800 0.169 0.000 2.124 515 Q HA -0.210 4.176 4.340 0.077 0.000 0.202 515 Q C 1.679 177.712 176.000 0.056 0.000 0.977 515 Q CA 2.124 57.995 55.803 0.114 0.000 0.850 515 Q CB -0.474 28.299 28.738 0.059 0.000 0.901 515 Q HN 0.360 nan 8.270 nan 0.000 0.429 516 E N -0.298 119.884 120.200 -0.030 0.000 2.152 516 E HA -0.108 4.288 4.350 0.077 0.000 0.192 516 E C 1.862 178.424 176.600 -0.064 0.000 0.983 516 E CA 0.779 57.144 56.400 -0.059 0.000 0.818 516 E CB -0.075 29.554 29.700 -0.118 0.000 0.758 516 E HN 0.338 nan 8.360 nan 0.000 0.467 517 L N 1.697 122.910 121.223 -0.018 0.000 2.056 517 L HA -0.156 4.230 4.340 0.077 0.000 0.207 517 L C 1.822 178.701 176.870 0.015 0.000 1.078 517 L CA 1.855 56.666 54.840 -0.048 0.000 0.749 517 L CB -0.210 41.918 42.059 0.116 0.000 0.901 517 L HN -0.039 nan 8.230 nan 0.000 0.433 518 E N -1.348 118.992 120.200 0.232 0.000 2.204 518 E HA -0.169 4.227 4.350 0.077 0.000 0.195 518 E C 1.843 178.555 176.600 0.187 0.000 0.990 518 E CA 1.602 58.209 56.400 0.344 0.000 0.821 518 E CB -0.036 29.864 29.700 0.335 0.000 0.750 518 E HN 0.505 nan 8.360 nan 0.000 0.477 519 T N -0.146 114.439 114.554 0.052 0.000 3.014 519 T HA 0.032 4.428 4.350 0.077 0.000 0.263 519 T C 1.836 176.446 174.700 -0.149 0.000 1.078 519 T CA 0.752 62.851 62.100 -0.003 0.000 1.135 519 T CB 0.016 68.887 68.868 0.006 0.000 0.895 519 T HN 0.222 nan 8.240 nan 0.000 0.480 520 A N 0.832 123.443 122.820 -0.348 0.000 1.930 520 A HA 0.047 4.413 4.320 0.077 0.000 0.217 520 A C 1.840 179.007 177.584 -0.694 0.000 1.175 520 A CA 1.151 52.672 52.037 -0.861 0.000 0.627 520 A CB -0.820 17.585 19.000 -0.992 0.000 0.815 520 A HN 0.427 nan 8.150 nan 0.000 0.443 521 F N 0.171 119.908 119.950 -0.355 0.000 2.146 521 F HA -0.010 4.563 4.527 0.076 0.000 0.298 521 F C 2.792 178.443 175.800 -0.248 0.000 1.096 521 F CA 0.692 58.466 58.000 -0.376 0.000 1.275 521 F CB -0.713 38.248 39.000 -0.066 0.000 1.008 521 F HN 0.251 nan 8.300 nan 0.000 0.480 522 A N -0.282 122.623 122.820 0.143 0.000 1.908 522 A HA -0.278 4.087 4.320 0.077 0.000 0.218 522 A C 2.008 179.644 177.584 0.085 0.000 1.181 522 A CA 2.306 54.441 52.037 0.164 0.000 0.627 522 A CB -1.019 18.058 19.000 0.129 0.000 0.818 522 A HN 0.359 nan 8.150 nan 0.000 0.445 523 D N -0.562 119.826 120.400 -0.020 0.000 2.097 523 D HA 0.024 4.710 4.640 0.077 0.000 0.197 523 D C 2.151 178.430 176.300 -0.034 0.000 0.984 523 D CA 1.517 55.513 54.000 -0.007 0.000 0.826 523 D CB -0.307 40.499 40.800 0.011 0.000 0.973 523 D HN 0.315 nan 8.370 nan 0.000 0.460 524 A N 0.133 122.837 122.820 -0.194 0.000 1.873 524 A HA -0.184 4.182 4.320 0.077 0.000 0.218 524 A C 2.139 179.656 177.584 -0.113 0.000 1.193 524 A CA 1.620 53.494 52.037 -0.272 0.000 0.629 524 A CB -1.557 17.082 19.000 -0.602 0.000 0.826 524 A HN 0.521 nan 8.150 nan 0.000 0.447 525 W N -0.648 120.713 121.300 0.102 0.000 2.961 525 W HA 0.093 4.798 4.660 0.076 0.000 0.240 525 W C 2.130 178.692 176.519 0.073 0.000 1.305 525 W CA 0.163 57.566 57.345 0.097 0.000 1.465 525 W CB 0.016 29.539 29.460 0.105 0.000 1.135 525 W HN 0.256 nan 8.180 nan 0.000 0.688 526 R N -0.392 120.249 120.500 0.234 0.000 2.275 526 R HA 0.033 4.419 4.340 0.077 0.000 0.199 526 R C 0.796 177.175 176.300 0.132 0.000 0.989 526 R CA 0.804 57.002 56.100 0.164 0.000 1.016 526 R CB 0.144 30.515 30.300 0.118 0.000 0.918 526 R HN -0.142 nan 8.270 nan 0.000 0.473 527 T N 0.210 114.846 114.554 0.136 0.000 2.993 527 T HA 0.263 4.659 4.350 0.077 0.000 0.312 527 T C -2.835 171.934 174.700 0.115 0.000 1.115 527 T CA -2.250 59.913 62.100 0.105 0.000 1.027 527 T CB 2.030 70.946 68.868 0.081 0.000 1.116 527 T HN -0.184 nan 8.240 nan 0.000 0.464 528 P HA 0.243 nan 4.420 nan 0.000 0.226 528 P C -0.214 177.136 177.300 0.084 0.000 1.783 528 P CA -0.015 63.144 63.100 0.099 0.000 0.980 528 P CB -0.896 30.854 31.700 0.082 0.000 1.967 529 T N -2.586 112.018 114.554 0.084 0.000 2.778 529 T HA 0.482 4.878 4.350 0.077 0.000 0.293 529 T C -0.422 174.312 174.700 0.057 0.000 1.144 529 T CA -0.634 61.506 62.100 0.067 0.000 1.010 529 T CB 1.170 70.075 68.868 0.062 0.000 1.325 529 T HN -0.129 nan 8.240 nan 0.000 0.515 530 T N 1.994 116.574 114.554 0.044 0.000 2.771 530 T HA 0.621 5.017 4.350 0.077 0.000 0.281 530 T C -0.578 174.130 174.700 0.013 0.000 0.982 530 T CA -0.373 61.740 62.100 0.023 0.000 0.978 530 T CB 1.038 69.915 68.868 0.015 0.000 0.930 530 T HN 0.739 nan 8.240 nan 0.000 0.447 531 T N 2.905 117.440 114.554 -0.032 0.000 2.797 531 T HA 0.474 4.870 4.350 0.077 0.000 0.279 531 T C -0.115 174.549 174.700 -0.060 0.000 0.991 531 T CA -0.556 61.521 62.100 -0.038 0.000 0.979 531 T CB 1.246 70.048 68.868 -0.110 0.000 0.943 531 T HN 0.294 nan 8.240 nan 0.000 0.444 532 V N 4.908 124.820 119.914 -0.003 0.000 2.364 532 V HA 0.408 4.573 4.120 0.077 0.000 0.272 532 V C -0.056 175.946 176.094 -0.154 0.000 1.036 532 V CA -0.616 61.671 62.300 -0.021 0.000 0.880 532 V CB 0.703 32.607 31.823 0.136 0.000 0.991 532 V HN 0.790 nan 8.190 nan 0.000 0.460 533 I N 4.800 125.230 120.570 -0.234 0.000 2.371 533 I HA 0.378 4.594 4.170 0.077 0.000 0.282 533 I C 0.505 176.462 176.117 -0.266 0.000 1.031 533 I CA -0.154 60.943 61.300 -0.339 0.000 1.180 533 I CB 1.188 38.924 38.000 -0.441 0.000 1.336 533 I HN 0.672 nan 8.210 nan 0.000 0.467 537 V N 3.157 123.073 119.914 0.003 0.000 3.078 537 V HA 0.485 4.650 4.120 0.077 0.000 0.311 537 V C -0.104 175.995 176.094 0.009 0.000 1.138 537 V CA -1.077 61.203 62.300 -0.033 0.000 1.007 537 V CB 2.767 34.531 31.823 -0.099 0.000 1.045 537 V HN 0.961 nan 8.190 nan 0.000 0.432 538 N N 2.681 121.387 118.700 0.010 0.000 2.452 538 N HA 0.044 4.830 4.740 0.077 0.000 0.266 538 N C 0.774 176.296 175.510 0.020 0.000 1.209 538 N CA 0.013 53.076 53.050 0.023 0.000 0.929 538 N CB 0.646 39.148 38.487 0.026 0.000 1.063 538 N HN 0.865 nan 8.380 nan 0.000 0.472 539 D N 0.984 121.401 120.400 0.027 0.000 2.242 539 D HA -0.291 4.394 4.640 0.077 0.000 0.190 539 D C 1.237 177.552 176.300 0.026 0.000 1.012 539 D CA 1.927 55.945 54.000 0.030 0.000 0.875 539 D CB -0.446 40.375 40.800 0.035 0.000 0.922 539 D HN 0.464 nan 8.370 nan 0.000 0.448 540 T N -1.752 112.817 114.554 0.024 0.000 3.044 540 T HA 0.099 4.495 4.350 0.077 0.000 0.260 540 T C 0.689 175.399 174.700 0.017 0.000 1.019 540 T CA 0.005 62.118 62.100 0.022 0.000 0.921 540 T CB -0.085 68.798 68.868 0.025 0.000 1.053 540 T HN -0.110 nan 8.240 nan 0.000 0.533 541 D N 1.154 121.563 120.400 0.016 0.000 2.117 541 D HA 0.020 4.705 4.640 0.077 0.000 0.197 541 D C 2.217 178.525 176.300 0.014 0.000 0.987 541 D CA 1.449 55.459 54.000 0.017 0.000 0.829 541 D CB -0.596 40.215 40.800 0.019 0.000 0.961 541 D HN 0.538 nan 8.370 nan 0.000 0.460 542 G N 0.621 109.425 108.800 0.008 0.000 2.421 542 G HA2 -0.169 3.837 3.960 0.077 0.000 0.216 542 G HA3 -0.169 3.837 3.960 0.077 0.000 0.216 542 G C 1.699 176.599 174.900 0.000 0.000 1.171 542 G CA 1.203 46.306 45.100 0.005 0.000 0.775 542 G HN 0.394 nan 8.290 nan 0.000 0.543 543 A N 0.126 122.945 122.820 -0.003 0.000 1.898 543 A HA -0.040 4.326 4.320 0.077 0.000 0.216 543 A C 2.309 179.892 177.584 -0.003 0.000 1.181 543 A CA 1.878 53.910 52.037 -0.008 0.000 0.620 543 A CB -0.421 18.574 19.000 -0.009 0.000 0.819 543 A HN 0.433 nan 8.150 nan 0.000 0.442 544 Q N -0.919 118.884 119.800 0.005 0.000 2.084 544 Q HA -0.128 4.258 4.340 0.077 0.000 0.202 544 Q C 2.173 178.178 176.000 0.008 0.000 0.978 544 Q CA 1.951 57.759 55.803 0.008 0.000 0.844 544 Q CB -0.283 28.463 28.738 0.014 0.000 0.898 544 Q HN 0.701 nan 8.270 nan 0.000 0.426 545 T N 1.391 115.950 114.554 0.010 0.000 2.746 545 T HA -0.148 4.248 4.350 0.077 0.000 0.267 545 T C 1.686 176.386 174.700 0.000 0.000 1.039 545 T CA 0.883 62.988 62.100 0.009 0.000 1.142 545 T CB -0.242 68.635 68.868 0.015 0.000 0.866 545 T HN 0.116 nan 8.240 nan 0.000 0.444 546 L N 1.303 122.524 121.223 -0.004 0.000 2.017 546 L HA -0.084 4.302 4.340 0.077 0.000 0.208 546 L C 2.419 179.281 176.870 -0.013 0.000 1.073 546 L CA 1.786 56.619 54.840 -0.013 0.000 0.745 546 L CB -0.975 41.073 42.059 -0.018 0.000 0.894 546 L HN 0.236 nan 8.230 nan 0.000 0.432 547 Q N -1.102 118.693 119.800 -0.008 0.000 2.084 547 Q HA -0.253 4.133 4.340 0.077 0.000 0.202 547 Q C 2.242 178.241 176.000 -0.000 0.000 0.978 547 Q CA 2.079 57.878 55.803 -0.006 0.000 0.844 547 Q CB -0.166 28.570 28.738 -0.002 0.000 0.898 547 Q HN 0.637 nan 8.270 nan 0.000 0.426 548 Q N 0.191 119.995 119.800 0.006 0.000 2.050 548 Q HA -0.161 4.225 4.340 0.077 0.000 0.202 548 Q C 2.121 178.127 176.000 0.012 0.000 0.980 548 Q CA 1.186 56.998 55.803 0.014 0.000 0.840 548 Q CB -0.118 28.630 28.738 0.017 0.000 0.898 548 Q HN 0.362 nan 8.270 nan 0.000 0.424 549 L N -0.015 121.209 121.223 0.001 0.000 2.083 549 L HA -0.200 4.186 4.340 0.077 0.000 0.209 549 L C 2.281 179.147 176.870 -0.007 0.000 1.083 549 L CA 0.368 55.205 54.840 -0.005 0.000 0.752 549 L CB -0.340 41.709 42.059 -0.017 0.000 0.899 549 L HN 0.263 nan 8.230 nan 0.000 0.433 550 L N 0.099 121.312 121.223 -0.016 0.000 1.990 550 L HA -0.235 4.150 4.340 0.077 0.000 0.213 550 L C 2.651 179.498 176.870 -0.038 0.000 1.072 550 L CA 2.234 57.057 54.840 -0.028 0.000 0.755 550 L CB -0.848 41.192 42.059 -0.032 0.000 0.889 550 L HN 0.199 nan 8.230 nan 0.000 0.432 551 A N -1.495 121.308 122.820 -0.027 0.000 1.877 551 A HA -0.281 4.085 4.320 0.077 0.000 0.216 551 A C 2.286 179.867 177.584 -0.005 0.000 1.186 551 A CA 1.779 53.792 52.037 -0.039 0.000 0.620 551 A CB -0.706 18.311 19.000 0.028 0.000 0.822 551 A HN 0.632 nan 8.150 nan 0.000 0.443 552 Q N -0.236 119.594 119.800 0.050 0.000 2.014 552 Q HA -0.176 4.210 4.340 0.077 0.000 0.207 552 Q C 2.046 178.082 176.000 0.059 0.000 0.993 552 Q CA 2.475 58.329 55.803 0.085 0.000 0.850 552 Q CB -0.314 28.455 28.738 0.051 0.000 0.916 552 Q HN 0.395 nan 8.270 nan 0.000 0.417 553 V N 1.224 121.151 119.914 0.022 0.000 2.324 553 V HA -0.296 3.870 4.120 0.077 0.000 0.250 553 V C 2.390 178.485 176.094 0.001 0.000 1.060 553 V CA 2.050 64.366 62.300 0.026 0.000 1.042 553 V CB -0.923 30.922 31.823 0.036 0.000 0.650 553 V HN 0.591 nan 8.190 nan 0.000 0.450 554 S N -1.089 114.564 115.700 -0.077 0.000 2.547 554 S HA -0.194 4.321 4.470 0.077 0.000 0.235 554 S C 1.534 175.998 174.600 -0.226 0.000 0.980 554 S CA 1.507 59.613 58.200 -0.156 0.000 0.941 554 S CB -0.638 62.424 63.200 -0.229 0.000 0.763 554 S HN 0.811 nan 8.310 nan 0.000 0.532 555 H N -0.089 118.996 119.070 0.023 0.000 2.639 555 H HA 0.446 5.048 4.556 0.077 0.000 0.267 555 H C 0.777 176.113 175.328 0.015 0.000 0.958 555 H CA -0.329 55.729 56.048 0.018 0.000 1.221 555 H CB 0.128 29.898 29.762 0.013 0.000 1.446 555 H HN 0.246 nan 8.280 nan 0.000 0.512 556 L N 0.000 121.288 121.223 0.108 0.000 2.949 556 L HA 0.000 4.386 4.340 0.077 0.000 0.249 556 L CA 0.000 54.878 54.840 0.064 0.000 0.813 556 L CB 0.000 42.082 42.059 0.039 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502