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 3flm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSVSAFNRRW AAVILEALTR HGVRHICIAP GSRSTLLTLA AAENSAFIHH DATA SEQUENCE THFDERGLGH LALGLAKVSK QPVAVIVTSG TAVANLYPAL IEAGLTGEKL DATA SEQUENCE ILLTADRPPE LIDCGANQAI RQPGMFASHP THSISLPRPT QDIPARWLVS DATA SEQUENCE TIDHALGTLH AGGVHINCPF AEPLXXEMDD TGLSWQQRLG DWWQDDKPWL DATA SEQUENCE REAPRLESEK QRDWFFWRQK RGVVVAGRMS AEEGKKVALW AQTLGWPLIG DATA SEQUENCE DVLSQTGQPL PCADLWLGNA KATSELQQAQ IVVQLGSSLT GKRLLQWQAS DATA SEQUENCE CEPEEYWIVD DIEGRLDPAH HRGRRLIANI ADWLELHPAE KRQPWCVEIP DATA SEQUENCE RLAEQAMQAV IARRDAFGEA QLAHRICDYL PEQGQLFVGN SLVVRLIDAL DATA SEQUENCE SQLPAGYPVY SNRGASGIDG LLSTAAGVQR ASGKPTLAIV GDLSALYDLN DATA SEQUENCE ALALLRQVSA PLVLIVVNNN XXXXXXXXXX XXXXXXXXXX XXXNVHFEHA DATA SEQUENCE AAMFELKYHR PQNWQELETA FADAWRTPTT TVIEMVVNDT DGAQTLQQLL DATA SEQUENCE AQVSHL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.052 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 S N 2.690 118.383 115.700 -0.013 0.000 3.225 2 S HA 0.041 4.485 4.470 -0.044 0.000 0.378 2 S C 1.039 175.651 174.600 0.020 0.000 1.190 2 S CA 0.378 58.582 58.200 0.008 0.000 1.104 2 S CB 0.284 63.498 63.200 0.023 0.000 0.795 2 S HN 0.344 nan 8.310 nan 0.000 0.517 3 V N 4.296 124.218 119.914 0.014 0.000 2.407 3 V HA 0.041 4.135 4.120 -0.044 0.000 0.245 3 V C 2.294 178.440 176.094 0.086 0.000 1.041 3 V CA 1.901 64.222 62.300 0.034 0.000 1.040 3 V CB -1.283 30.539 31.823 -0.002 0.000 0.671 3 V HN 0.862 nan 8.190 nan 0.000 0.455 4 S N 1.090 116.819 115.700 0.048 0.000 2.359 4 S HA -0.152 4.292 4.470 -0.044 0.000 0.224 4 S C 2.154 176.788 174.600 0.055 0.000 1.035 4 S CA 2.108 60.330 58.200 0.036 0.000 1.018 4 S CB -0.757 62.453 63.200 0.017 0.000 0.876 4 S HN 1.090 nan 8.310 nan 0.000 0.448 5 A N -0.118 122.748 122.820 0.076 0.000 2.015 5 A HA 0.062 4.356 4.320 -0.044 0.000 0.219 5 A C 1.929 179.596 177.584 0.139 0.000 1.163 5 A CA 1.338 53.428 52.037 0.088 0.000 0.646 5 A CB -0.815 18.235 19.000 0.083 0.000 0.806 5 A HN 0.716 nan 8.150 nan 0.000 0.448 6 F N 0.872 120.829 119.950 0.011 0.000 2.335 6 F HA 0.013 4.514 4.527 -0.044 0.000 0.296 6 F C 1.916 177.741 175.800 0.041 0.000 1.091 6 F CA 1.293 59.297 58.000 0.006 0.000 1.399 6 F CB -0.212 38.733 39.000 -0.091 0.000 1.067 6 F HN 0.229 nan 8.300 nan 0.000 0.520 7 N N 0.325 119.024 118.700 -0.002 0.000 2.309 7 N HA -0.131 4.583 4.740 -0.044 0.000 0.182 7 N C 1.745 177.248 175.510 -0.011 0.000 1.018 7 N CA 0.366 53.392 53.050 -0.040 0.000 0.876 7 N CB -0.068 38.453 38.487 0.056 0.000 0.972 7 N HN 0.223 nan 8.380 nan 0.000 0.434 8 R N 1.433 121.923 120.500 -0.018 0.000 2.103 8 R HA -0.088 4.225 4.340 -0.044 0.000 0.242 8 R C 1.978 178.330 176.300 0.087 0.000 1.142 8 R CA 1.214 57.326 56.100 0.020 0.000 0.960 8 R CB -0.463 29.856 30.300 0.031 0.000 0.858 8 R HN 0.395 nan 8.270 nan 0.000 0.439 9 R N -1.129 119.414 120.500 0.073 0.000 2.173 9 R HA -0.026 4.288 4.340 -0.044 0.000 0.208 9 R C 2.122 178.588 176.300 0.277 0.000 1.035 9 R CA 0.354 56.569 56.100 0.192 0.000 1.004 9 R CB -0.267 30.176 30.300 0.238 0.000 0.917 9 R HN 0.375 nan 8.270 nan 0.000 0.462 10 W N 2.119 123.303 121.300 -0.194 0.000 2.355 10 W HA -0.179 4.456 4.660 -0.042 0.000 0.309 10 W C 1.867 178.481 176.519 0.158 0.000 1.206 10 W CA 1.964 59.264 57.345 -0.076 0.000 1.284 10 W CB -0.181 29.064 29.460 -0.358 0.000 1.145 10 W HN 0.082 nan 8.180 nan 0.000 0.502 11 A N 1.000 124.075 122.820 0.426 0.000 1.902 11 A HA -0.111 4.183 4.320 -0.044 0.000 0.217 11 A C 2.183 179.914 177.584 0.245 0.000 1.181 11 A CA 2.809 55.048 52.037 0.336 0.000 0.623 11 A CB -1.377 17.767 19.000 0.240 0.000 0.818 11 A HN 0.334 nan 8.150 nan 0.000 0.443 12 A N -0.616 122.358 122.820 0.257 0.000 1.940 12 A HA -0.045 4.249 4.320 -0.044 0.000 0.219 12 A C 2.237 180.044 177.584 0.373 0.000 1.176 12 A CA 1.980 54.200 52.037 0.306 0.000 0.631 12 A CB -0.878 18.310 19.000 0.314 0.000 0.814 12 A HN 0.417 nan 8.150 nan 0.000 0.446 13 V N 0.201 120.323 119.914 0.346 0.000 2.379 13 V HA -0.225 3.868 4.120 -0.044 0.000 0.245 13 V C 2.407 178.564 176.094 0.105 0.000 1.044 13 V CA 1.768 64.213 62.300 0.241 0.000 1.036 13 V CB -0.693 31.195 31.823 0.109 0.000 0.664 13 V HN 0.576 nan 8.190 nan 0.000 0.453 14 I N -0.166 120.426 120.570 0.037 0.000 2.151 14 I HA -0.313 3.831 4.170 -0.044 0.000 0.243 14 I C 2.353 178.539 176.117 0.115 0.000 1.080 14 I CA 1.818 63.119 61.300 0.001 0.000 1.339 14 I CB -0.440 37.563 38.000 0.004 0.000 1.039 14 I HN 0.264 nan 8.210 nan 0.000 0.409 15 L N 0.214 121.553 121.223 0.193 0.000 2.056 15 L HA -0.195 4.119 4.340 -0.044 0.000 0.207 15 L C 2.624 179.685 176.870 0.318 0.000 1.078 15 L CA 1.342 56.351 54.840 0.282 0.000 0.749 15 L CB -0.528 41.730 42.059 0.332 0.000 0.901 15 L HN 0.193 nan 8.230 nan 0.000 0.433 16 E N 0.540 120.905 120.200 0.275 0.000 2.110 16 E HA -0.223 4.101 4.350 -0.044 0.000 0.193 16 E C 2.138 178.851 176.600 0.188 0.000 0.988 16 E CA 1.340 57.843 56.400 0.173 0.000 0.804 16 E CB -0.074 29.701 29.700 0.125 0.000 0.745 16 E HN 0.373 nan 8.360 nan 0.000 0.458 17 A N 0.815 123.826 122.820 0.317 0.000 1.892 17 A HA -0.217 4.077 4.320 -0.044 0.000 0.218 17 A C 2.266 180.045 177.584 0.326 0.000 1.188 17 A CA 1.811 54.063 52.037 0.359 0.000 0.631 17 A CB -0.948 18.143 19.000 0.152 0.000 0.822 17 A HN 0.365 nan 8.150 nan 0.000 0.447 18 L N -1.220 120.155 121.223 0.253 0.000 1.990 18 L HA -0.215 4.099 4.340 -0.044 0.000 0.213 18 L C 2.744 179.759 176.870 0.241 0.000 1.072 18 L CA 1.905 56.899 54.840 0.256 0.000 0.755 18 L CB -1.368 40.828 42.059 0.228 0.000 0.889 18 L HN 0.341 nan 8.230 nan 0.000 0.432 19 T N -0.452 114.193 114.554 0.152 0.000 2.718 19 T HA -0.211 4.113 4.350 -0.044 0.000 0.266 19 T C 1.775 176.457 174.700 -0.030 0.000 1.033 19 T CA 1.329 63.417 62.100 -0.020 0.000 1.151 19 T CB -0.200 68.578 68.868 -0.150 0.000 0.853 19 T HN 0.200 nan 8.240 nan 0.000 0.466 20 R N 0.559 121.054 120.500 -0.009 0.000 2.323 20 R HA 0.075 4.389 4.340 -0.044 0.000 0.198 20 R C 0.784 176.934 176.300 -0.252 0.000 0.988 20 R CA 0.547 56.561 56.100 -0.144 0.000 1.041 20 R CB -0.310 29.903 30.300 -0.146 0.000 0.926 20 R HN 0.609 nan 8.270 nan 0.000 0.476 21 H N -1.600 117.482 119.070 0.021 0.000 2.767 21 H HA 0.232 4.761 4.556 -0.045 0.000 0.260 21 H C 0.741 176.083 175.328 0.023 0.000 1.172 21 H CA 0.564 56.627 56.048 0.025 0.000 1.048 21 H CB 1.341 31.123 29.762 0.034 0.000 1.697 21 H HN 0.364 nan 8.280 nan 0.000 0.606 22 G N 1.027 109.887 108.800 0.100 0.000 2.201 22 G HA2 -0.264 3.669 3.960 -0.044 0.000 0.212 22 G HA3 -0.264 3.669 3.960 -0.044 0.000 0.212 22 G C 0.187 175.133 174.900 0.075 0.000 0.994 22 G CA 0.055 45.195 45.100 0.066 0.000 0.644 22 G HN 0.138 nan 8.290 nan 0.000 0.508 23 V N 2.019 122.000 119.914 0.112 0.000 2.470 23 V HA 0.477 4.571 4.120 -0.044 0.000 0.276 23 V C 1.401 177.580 176.094 0.142 0.000 1.040 23 V CA 0.195 62.590 62.300 0.158 0.000 1.008 23 V CB 1.321 33.287 31.823 0.239 0.000 0.990 23 V HN 0.335 nan 8.190 nan 0.000 0.477 24 R N 1.372 121.946 120.500 0.123 0.000 2.350 24 R HA 0.185 4.499 4.340 -0.044 0.000 0.199 24 R C 0.364 176.735 176.300 0.119 0.000 0.876 24 R CA 0.100 56.226 56.100 0.044 0.000 1.062 24 R CB 0.393 30.607 30.300 -0.144 0.000 1.263 24 R HN 0.694 nan 8.270 nan 0.000 0.641 25 H N 0.582 119.767 119.070 0.192 0.000 2.620 25 H HA 0.283 4.812 4.556 -0.045 0.000 0.313 25 H C -0.452 174.938 175.328 0.103 0.000 1.075 25 H CA 0.053 56.217 56.048 0.193 0.000 1.397 25 H CB 1.574 31.452 29.762 0.193 0.000 1.446 25 H HN 0.056 nan 8.280 nan 0.000 0.493 26 I N 3.379 124.024 120.570 0.125 0.000 2.533 26 I HA 0.220 4.364 4.170 -0.044 0.000 0.290 26 I C -0.852 175.259 176.117 -0.010 0.000 1.056 26 I CA -0.443 60.796 61.300 -0.102 0.000 1.057 26 I CB 0.890 38.562 38.000 -0.546 0.000 1.240 26 I HN 0.522 nan 8.210 nan 0.000 0.423 27 C N 7.338 126.641 119.300 0.005 0.000 2.382 27 C HA 0.742 5.176 4.460 -0.044 0.000 0.327 27 C C -0.109 174.887 174.990 0.009 0.000 1.250 27 C CA -0.666 58.380 59.018 0.047 0.000 1.707 27 C CB 0.507 28.248 27.740 0.001 0.000 2.272 27 C HN 0.593 nan 8.230 nan 0.000 0.506 28 I N 1.503 122.099 120.570 0.044 0.000 2.994 28 I HA 0.727 4.871 4.170 -0.044 0.000 0.306 28 I C -0.295 175.859 176.117 0.062 0.000 1.195 28 I CA -0.312 61.011 61.300 0.039 0.000 1.001 28 I CB 1.968 39.997 38.000 0.049 0.000 1.244 28 I HN 0.760 nan 8.210 nan 0.000 0.437 29 A N 3.876 126.731 122.820 0.059 0.000 2.386 29 A HA 0.856 5.150 4.320 -0.044 0.000 0.311 29 A C -2.671 174.955 177.584 0.070 0.000 1.068 29 A CA -1.622 50.454 52.037 0.066 0.000 0.743 29 A CB 0.722 19.755 19.000 0.056 0.000 1.258 29 A HN 0.430 nan 8.150 nan 0.000 0.429 30 P HA 0.216 nan 4.420 nan 0.000 0.257 30 P C 0.218 177.552 177.300 0.058 0.000 1.144 30 P CA 1.323 64.464 63.100 0.069 0.000 0.761 30 P CB 0.291 32.037 31.700 0.077 0.000 0.734 31 G N 1.364 110.193 108.800 0.047 0.000 2.728 31 G HA2 0.277 4.211 3.960 -0.044 0.000 0.294 31 G HA3 0.277 4.211 3.960 -0.044 0.000 0.294 31 G C 0.616 175.535 174.900 0.033 0.000 1.398 31 G CA -0.192 44.934 45.100 0.043 0.000 1.183 31 G HN 0.313 nan 8.290 nan 0.000 0.578 32 S N 0.546 116.264 115.700 0.031 0.000 2.377 32 S HA -0.218 4.226 4.470 -0.044 0.000 0.224 32 S C 2.306 176.919 174.600 0.023 0.000 1.042 32 S CA 2.351 60.565 58.200 0.024 0.000 1.086 32 S CB -0.007 63.208 63.200 0.025 0.000 0.995 32 S HN 0.695 nan 8.310 nan 0.000 0.428 33 R N 0.728 121.250 120.500 0.036 0.000 2.334 33 R HA 0.247 4.560 4.340 -0.044 0.000 0.216 33 R C 1.618 177.952 176.300 0.056 0.000 0.905 33 R CA 1.196 57.324 56.100 0.046 0.000 1.064 33 R CB -0.337 30.004 30.300 0.069 0.000 1.046 33 R HN 0.391 nan 8.270 nan 0.000 0.508 34 S N -2.029 113.702 115.700 0.052 0.000 2.577 34 S HA 0.042 4.486 4.470 -0.044 0.000 0.219 34 S C 1.134 175.735 174.600 0.001 0.000 0.962 34 S CA 0.164 58.396 58.200 0.052 0.000 0.921 34 S CB -0.085 63.155 63.200 0.067 0.000 0.789 34 S HN 0.215 nan 8.310 nan 0.000 0.497 35 T N 3.040 117.584 114.554 -0.017 0.000 2.684 35 T HA -0.173 4.151 4.350 -0.044 0.000 0.267 35 T C 1.403 176.058 174.700 -0.074 0.000 1.032 35 T CA 2.019 64.098 62.100 -0.035 0.000 1.155 35 T CB -0.531 68.317 68.868 -0.034 0.000 0.857 35 T HN 0.423 nan 8.240 nan 0.000 0.457 36 L N -0.435 120.683 121.223 -0.174 0.000 2.131 36 L HA 0.075 4.388 4.340 -0.044 0.000 0.206 36 L C 2.312 179.097 176.870 -0.141 0.000 1.087 36 L CA 0.941 55.629 54.840 -0.254 0.000 0.767 36 L CB -0.190 41.488 42.059 -0.635 0.000 0.917 36 L HN 0.284 nan 8.230 nan 0.000 0.441 37 L N -1.433 119.741 121.223 -0.081 0.000 2.179 37 L HA -0.110 4.204 4.340 -0.044 0.000 0.208 37 L C 2.467 179.352 176.870 0.026 0.000 1.096 37 L CA 0.780 55.642 54.840 0.038 0.000 0.779 37 L CB -0.510 41.620 42.059 0.118 0.000 0.922 37 L HN 0.192 nan 8.230 nan 0.000 0.443 38 T N 0.524 115.088 114.554 0.017 0.000 2.643 38 T HA -0.178 4.146 4.350 -0.044 0.000 0.264 38 T C 1.932 176.666 174.700 0.057 0.000 1.045 38 T CA 1.410 63.531 62.100 0.035 0.000 1.155 38 T CB -0.302 68.587 68.868 0.034 0.000 0.863 38 T HN 0.173 nan 8.240 nan 0.000 0.420 39 L N 0.783 122.027 121.223 0.036 0.000 2.083 39 L HA -0.084 4.230 4.340 -0.044 0.000 0.209 39 L C 2.990 179.906 176.870 0.076 0.000 1.083 39 L CA 1.141 56.008 54.840 0.045 0.000 0.752 39 L CB -0.662 41.406 42.059 0.015 0.000 0.899 39 L HN 0.245 nan 8.230 nan 0.000 0.433 40 A N -0.025 122.842 122.820 0.078 0.000 1.930 40 A HA -0.077 4.217 4.320 -0.044 0.000 0.217 40 A C 2.507 180.204 177.584 0.189 0.000 1.175 40 A CA 1.539 53.654 52.037 0.129 0.000 0.627 40 A CB -0.545 18.543 19.000 0.146 0.000 0.815 40 A HN 0.383 nan 8.150 nan 0.000 0.443 41 A N -0.368 122.544 122.820 0.154 0.000 2.014 41 A HA 0.314 4.608 4.320 -0.044 0.000 0.218 41 A C 2.390 180.217 177.584 0.405 0.000 1.163 41 A CA 1.563 53.709 52.037 0.182 0.000 0.652 41 A CB -0.717 18.169 19.000 -0.190 0.000 0.808 41 A HN 0.906 nan 8.150 nan 0.000 0.449 42 A N 0.222 123.227 122.820 0.308 0.000 1.930 42 A HA -0.112 4.181 4.320 -0.044 0.000 0.217 42 A C 1.729 179.408 177.584 0.158 0.000 1.175 42 A CA 1.432 53.602 52.037 0.222 0.000 0.627 42 A CB -0.414 18.630 19.000 0.073 0.000 0.815 42 A HN 0.594 nan 8.150 nan 0.000 0.443 43 E N 0.027 120.316 120.200 0.148 0.000 2.511 43 E HA -0.026 4.298 4.350 -0.044 0.000 0.196 43 E C 0.047 176.729 176.600 0.136 0.000 1.066 43 E CA -0.222 56.242 56.400 0.107 0.000 0.871 43 E CB -0.002 29.746 29.700 0.080 0.000 0.863 43 E HN 0.430 nan 8.360 nan 0.000 0.520 44 N N 0.657 119.498 118.700 0.234 0.000 2.424 44 N HA 0.022 4.735 4.740 -0.044 0.000 0.271 44 N C 0.117 175.718 175.510 0.151 0.000 0.985 44 N CA -0.089 53.085 53.050 0.206 0.000 0.921 44 N CB 1.561 40.240 38.487 0.321 0.000 1.149 44 N HN -0.067 nan 8.380 nan 0.000 0.492 45 S N 2.136 117.845 115.700 0.014 0.000 2.577 45 S HA 0.133 4.576 4.470 -0.044 0.000 0.219 45 S C 1.427 175.962 174.600 -0.108 0.000 0.962 45 S CA 0.135 58.334 58.200 -0.001 0.000 0.921 45 S CB 0.056 63.258 63.200 0.003 0.000 0.789 45 S HN 0.517 nan 8.310 nan 0.000 0.497 46 A N 0.575 123.216 122.820 -0.297 0.000 2.172 46 A HA 0.307 4.601 4.320 -0.044 0.000 0.216 46 A C 0.178 177.487 177.584 -0.459 0.000 1.154 46 A CA 0.368 52.144 52.037 -0.436 0.000 0.701 46 A CB -0.574 18.078 19.000 -0.580 0.000 0.789 46 A HN 0.563 nan 8.150 nan 0.000 0.465 47 F N -0.613 119.347 119.950 0.017 0.000 2.421 47 F HA 0.518 5.017 4.527 -0.046 0.000 0.337 47 F C 0.210 176.009 175.800 -0.002 0.000 1.105 47 F CA -1.319 56.656 58.000 -0.042 0.000 1.049 47 F CB 1.024 39.936 39.000 -0.146 0.000 1.139 47 F HN -0.108 nan 8.300 nan 0.000 0.479 48 I N 3.892 124.524 120.570 0.103 0.000 2.379 48 I HA 0.122 4.266 4.170 -0.044 0.000 0.290 48 I C -0.368 175.721 176.117 -0.046 0.000 1.063 48 I CA -0.329 60.985 61.300 0.023 0.000 1.351 48 I CB 0.022 37.933 38.000 -0.149 0.000 1.410 48 I HN 0.461 nan 8.210 nan 0.000 0.505 49 H N 5.643 124.636 119.070 -0.129 0.000 2.610 49 H HA 0.430 4.961 4.556 -0.043 0.000 0.336 49 H C -0.315 174.838 175.328 -0.292 0.000 1.087 49 H CA -0.032 55.943 56.048 -0.122 0.000 1.405 49 H CB 0.475 30.212 29.762 -0.042 0.000 1.460 49 H HN 0.446 nan 8.280 nan 0.000 0.538 50 H N 0.615 119.752 119.070 0.112 0.000 2.747 50 H HA 0.517 5.047 4.556 -0.044 0.000 0.371 50 H C -0.201 175.162 175.328 0.059 0.000 1.161 50 H CA -0.806 55.287 56.048 0.076 0.000 1.167 50 H CB 2.310 32.087 29.762 0.024 0.000 1.732 50 H HN 0.717 nan 8.280 nan 0.000 0.544 51 T N -0.967 113.699 114.554 0.186 0.000 2.900 51 T HA 0.475 4.799 4.350 -0.044 0.000 0.303 51 T C -1.202 173.582 174.700 0.140 0.000 1.142 51 T CA -0.785 61.400 62.100 0.140 0.000 1.007 51 T CB 2.888 71.834 68.868 0.130 0.000 1.156 51 T HN 0.767 nan 8.240 nan 0.000 0.490 52 H N 0.954 119.988 119.070 -0.061 0.000 3.094 52 H HA 0.448 4.977 4.556 -0.044 0.000 0.346 52 H C -0.234 174.978 175.328 -0.193 0.000 1.238 52 H CA -1.420 54.489 56.048 -0.233 0.000 1.209 52 H CB 0.969 30.561 29.762 -0.284 0.000 1.911 52 H HN 0.603 nan 8.280 nan 0.000 0.540 53 F N -0.120 119.540 119.950 -0.485 0.000 2.569 53 F HA 0.244 4.745 4.527 -0.043 0.000 0.295 53 F C 0.527 176.162 175.800 -0.275 0.000 1.115 53 F CA -0.242 57.594 58.000 -0.273 0.000 1.450 53 F CB 0.226 39.122 39.000 -0.174 0.000 1.107 53 F HN 0.330 nan 8.300 nan 0.000 0.563 54 D N 1.536 121.653 120.400 -0.471 0.000 2.412 54 D HA 0.092 4.705 4.640 -0.044 0.000 0.224 54 D C 0.693 176.983 176.300 -0.017 0.000 1.093 54 D CA -0.002 53.954 54.000 -0.074 0.000 0.850 54 D CB 1.150 41.931 40.800 -0.030 0.000 1.046 54 D HN 0.168 nan 8.370 nan 0.000 0.507 55 E N 2.321 122.543 120.200 0.037 0.000 2.219 55 E HA -0.202 4.122 4.350 -0.044 0.000 0.198 55 E C 1.826 178.456 176.600 0.050 0.000 0.998 55 E CA 0.972 57.400 56.400 0.045 0.000 0.818 55 E CB 0.113 29.845 29.700 0.053 0.000 0.741 55 E HN 0.464 nan 8.360 nan 0.000 0.477 56 R N -0.160 120.387 120.500 0.079 0.000 2.073 56 R HA -0.106 4.208 4.340 -0.044 0.000 0.234 56 R C 2.326 178.701 176.300 0.124 0.000 1.134 56 R CA 1.591 57.745 56.100 0.090 0.000 0.952 56 R CB -0.541 29.849 30.300 0.150 0.000 0.850 56 R HN 0.287 nan 8.270 nan 0.000 0.433 57 G N 1.304 110.207 108.800 0.171 0.000 2.440 57 G HA2 -0.275 3.658 3.960 -0.044 0.000 0.218 57 G HA3 -0.275 3.658 3.960 -0.044 0.000 0.218 57 G C 1.289 176.250 174.900 0.103 0.000 1.154 57 G CA 0.664 45.879 45.100 0.192 0.000 0.767 57 G HN 0.271 nan 8.290 nan 0.000 0.552 58 L N 1.594 122.884 121.223 0.111 0.000 2.012 58 L HA 0.088 4.402 4.340 -0.044 0.000 0.210 58 L C 2.939 179.772 176.870 -0.062 0.000 1.073 58 L CA 2.266 57.116 54.840 0.017 0.000 0.748 58 L CB -1.096 40.978 42.059 0.025 0.000 0.891 58 L HN 0.204 nan 8.230 nan 0.000 0.431 59 G N -1.990 106.753 108.800 -0.096 0.000 2.446 59 G HA2 -0.344 3.589 3.960 -0.044 0.000 0.217 59 G HA3 -0.344 3.589 3.960 -0.044 0.000 0.217 59 G C 1.417 176.170 174.900 -0.245 0.000 1.168 59 G CA 1.220 46.200 45.100 -0.200 0.000 0.771 59 G HN 0.587 nan 8.290 nan 0.000 0.551 60 H N -0.692 118.317 119.070 -0.101 0.000 2.456 60 H HA 0.026 4.556 4.556 -0.044 0.000 0.296 60 H C 2.292 177.507 175.328 -0.189 0.000 1.079 60 H CA 0.982 56.951 56.048 -0.132 0.000 1.322 60 H CB 0.054 29.742 29.762 -0.122 0.000 1.388 60 H HN 0.331 nan 8.280 nan 0.000 0.538 61 L N 0.419 121.573 121.223 -0.113 0.000 2.027 61 L HA -0.027 4.287 4.340 -0.044 0.000 0.206 61 L C 2.331 179.050 176.870 -0.252 0.000 1.074 61 L CA 1.752 56.459 54.840 -0.221 0.000 0.745 61 L CB -0.799 41.113 42.059 -0.245 0.000 0.898 61 L HN 0.186 nan 8.230 nan 0.000 0.433 62 A N -0.423 122.277 122.820 -0.200 0.000 1.933 62 A HA -0.176 4.118 4.320 -0.044 0.000 0.218 62 A C 2.257 179.734 177.584 -0.178 0.000 1.175 62 A CA 1.832 53.755 52.037 -0.192 0.000 0.628 62 A CB -1.037 17.880 19.000 -0.138 0.000 0.814 62 A HN 0.529 nan 8.150 nan 0.000 0.444 63 L N 0.146 121.277 121.223 -0.153 0.000 1.989 63 L HA -0.057 4.257 4.340 -0.044 0.000 0.211 63 L C 2.416 179.202 176.870 -0.141 0.000 1.071 63 L CA 2.436 57.205 54.840 -0.118 0.000 0.749 63 L CB -1.226 40.794 42.059 -0.065 0.000 0.890 63 L HN 0.350 nan 8.230 nan 0.000 0.431 64 G N 0.084 108.775 108.800 -0.183 0.000 2.802 64 G HA2 -0.385 3.549 3.960 -0.044 0.000 0.222 64 G HA3 -0.385 3.549 3.960 -0.044 0.000 0.222 64 G C 1.548 176.259 174.900 -0.315 0.000 1.248 64 G CA 1.733 46.665 45.100 -0.280 0.000 0.787 64 G HN 0.494 nan 8.290 nan 0.000 0.643 65 L N 0.713 121.721 121.223 -0.358 0.000 2.051 65 L HA -0.194 4.120 4.340 -0.044 0.000 0.214 65 L C 3.429 180.137 176.870 -0.270 0.000 1.076 65 L CA 1.571 56.164 54.840 -0.412 0.000 0.758 65 L CB -0.620 41.103 42.059 -0.560 0.000 0.890 65 L HN 0.380 nan 8.230 nan 0.000 0.433 66 A N -0.185 122.518 122.820 -0.194 0.000 1.872 66 A HA -0.208 4.086 4.320 -0.044 0.000 0.214 66 A C 2.402 179.920 177.584 -0.110 0.000 1.187 66 A CA 1.668 53.637 52.037 -0.114 0.000 0.614 66 A CB -0.445 18.503 19.000 -0.086 0.000 0.826 66 A HN 0.312 nan 8.150 nan 0.000 0.442 67 K N -0.351 119.969 120.400 -0.133 0.000 2.034 67 K HA -0.176 4.118 4.320 -0.044 0.000 0.214 67 K C 1.852 178.354 176.600 -0.165 0.000 1.051 67 K CA 2.115 58.330 56.287 -0.119 0.000 0.931 67 K CB -0.325 32.086 32.500 -0.148 0.000 0.715 67 K HN 0.235 nan 8.250 nan 0.000 0.446 68 V N 0.607 120.338 119.914 -0.306 0.000 2.255 68 V HA -0.202 3.892 4.120 -0.044 0.000 0.243 68 V C 2.371 178.401 176.094 -0.107 0.000 1.038 68 V CA 2.065 64.165 62.300 -0.333 0.000 1.008 68 V CB -0.209 31.342 31.823 -0.454 0.000 0.645 68 V HN 0.605 nan 8.190 nan 0.000 0.449 69 S N -1.299 114.346 115.700 -0.092 0.000 2.453 69 S HA -0.177 4.267 4.470 -0.044 0.000 0.231 69 S C 1.255 175.860 174.600 0.008 0.000 1.005 69 S CA 0.877 59.069 58.200 -0.013 0.000 0.949 69 S CB -0.158 63.059 63.200 0.028 0.000 0.774 69 S HN 0.512 nan 8.310 nan 0.000 0.510 70 K N 0.468 120.862 120.400 -0.009 0.000 3.446 70 K HA -0.168 4.126 4.320 -0.044 0.000 0.312 70 K C -0.038 176.570 176.600 0.013 0.000 1.329 70 K CA 1.501 57.789 56.287 0.003 0.000 0.935 70 K CB -2.307 30.203 32.500 0.016 0.000 1.281 70 K HN 0.979 nan 8.250 nan 0.000 0.457 71 Q N 0.415 120.231 119.800 0.027 0.000 2.297 71 Q HA 0.627 4.941 4.340 -0.044 0.000 0.268 71 Q C -2.660 173.368 176.000 0.048 0.000 1.045 71 Q CA -2.208 53.623 55.803 0.046 0.000 0.861 71 Q CB 2.288 31.067 28.738 0.068 0.000 1.344 71 Q HN -0.195 nan 8.270 nan 0.000 0.452 72 P HA 0.110 nan 4.420 nan 0.000 0.272 72 P C -0.827 176.512 177.300 0.065 0.000 1.223 72 P CA -0.300 62.825 63.100 0.042 0.000 0.784 72 P CB 0.963 32.690 31.700 0.044 0.000 0.923 73 V N 1.391 121.329 119.914 0.039 0.000 2.656 73 V HA 0.599 4.693 4.120 -0.044 0.000 0.307 73 V C 0.217 176.327 176.094 0.027 0.000 1.051 73 V CA -0.855 61.478 62.300 0.055 0.000 0.893 73 V CB 1.746 33.571 31.823 0.005 0.000 0.999 73 V HN 0.772 nan 8.190 nan 0.000 0.426 74 A N 4.202 127.041 122.820 0.032 0.000 2.303 74 A HA 0.902 5.195 4.320 -0.044 0.000 0.317 74 A C -0.760 176.799 177.584 -0.042 0.000 1.149 74 A CA -0.492 51.537 52.037 -0.013 0.000 0.822 74 A CB 1.397 20.372 19.000 -0.042 0.000 1.131 74 A HN 0.713 nan 8.150 nan 0.000 0.493 75 V N 2.316 122.209 119.914 -0.034 0.000 2.789 75 V HA 0.501 4.595 4.120 -0.044 0.000 0.311 75 V C -0.600 175.489 176.094 -0.009 0.000 1.073 75 V CA -0.232 62.050 62.300 -0.030 0.000 0.921 75 V CB 1.729 33.533 31.823 -0.032 0.000 1.009 75 V HN 0.767 nan 8.190 nan 0.000 0.426 76 I N 4.603 125.170 120.570 -0.006 0.000 2.498 76 I HA 0.757 4.901 4.170 -0.044 0.000 0.290 76 I C -0.813 175.330 176.117 0.044 0.000 1.032 76 I CA -0.847 60.467 61.300 0.023 0.000 1.073 76 I CB 2.157 40.158 38.000 0.003 0.000 1.251 76 I HN 0.541 nan 8.210 nan 0.000 0.426 77 V N 1.203 121.160 119.914 0.071 0.000 3.087 77 V HA 0.583 4.677 4.120 -0.044 0.000 0.306 77 V C -0.328 175.819 176.094 0.089 0.000 1.187 77 V CA -0.605 61.739 62.300 0.073 0.000 0.999 77 V CB 1.571 33.439 31.823 0.074 0.000 1.049 77 V HN 0.705 nan 8.190 nan 0.000 0.431 78 T N 1.715 116.316 114.554 0.078 0.000 2.754 78 T HA 0.467 4.791 4.350 -0.044 0.000 0.286 78 T C 0.604 175.350 174.700 0.077 0.000 0.997 78 T CA 0.555 62.703 62.100 0.080 0.000 0.982 78 T CB 0.845 69.751 68.868 0.063 0.000 1.027 78 T HN 1.824 nan 8.240 nan 0.000 0.529 79 S N 0.656 116.400 115.700 0.074 0.000 2.632 79 S HA 0.695 5.139 4.470 -0.044 0.000 0.267 79 S C 0.726 175.352 174.600 0.042 0.000 1.276 79 S CA 0.071 58.308 58.200 0.061 0.000 0.998 79 S CB 0.409 63.645 63.200 0.060 0.000 0.953 79 S HN 1.743 nan 8.310 nan 0.000 0.547 80 G N 0.873 109.688 108.800 0.025 0.000 2.548 80 G HA2 -0.183 3.751 3.960 -0.044 0.000 0.208 80 G HA3 -0.183 3.751 3.960 -0.044 0.000 0.208 80 G C 0.686 175.595 174.900 0.015 0.000 1.308 80 G CA 0.648 45.758 45.100 0.016 0.000 0.924 80 G HN 1.990 nan 8.290 nan 0.000 0.540 81 T N -1.316 113.250 114.554 0.020 0.000 2.802 81 T HA 0.064 4.388 4.350 -0.044 0.000 0.269 81 T C 2.601 177.329 174.700 0.047 0.000 1.062 81 T CA 3.120 65.238 62.100 0.030 0.000 1.133 81 T CB -0.612 68.277 68.868 0.036 0.000 0.852 81 T HN 2.252 nan 8.240 nan 0.000 0.485 82 A N 1.300 124.149 122.820 0.048 0.000 1.903 82 A HA -0.056 4.238 4.320 -0.044 0.000 0.219 82 A C 2.698 180.323 177.584 0.068 0.000 1.191 82 A CA 2.185 54.258 52.037 0.059 0.000 0.638 82 A CB -1.308 17.727 19.000 0.058 0.000 0.823 82 A HN 0.505 nan 8.150 nan 0.000 0.451 83 V N -0.172 119.779 119.914 0.061 0.000 2.287 83 V HA -0.299 3.794 4.120 -0.044 0.000 0.248 83 V C 3.030 179.198 176.094 0.123 0.000 1.053 83 V CA 2.087 64.436 62.300 0.082 0.000 1.027 83 V CB -1.417 30.417 31.823 0.020 0.000 0.646 83 V HN 0.654 nan 8.190 nan 0.000 0.447 84 A N 0.075 122.934 122.820 0.065 0.000 2.024 84 A HA -0.243 4.050 4.320 -0.044 0.000 0.220 84 A C 1.989 179.675 177.584 0.171 0.000 1.164 84 A CA 1.873 53.977 52.037 0.112 0.000 0.643 84 A CB -0.714 18.330 19.000 0.073 0.000 0.806 84 A HN 0.627 nan 8.150 nan 0.000 0.451 85 N N -0.185 118.588 118.700 0.123 0.000 2.550 85 N HA 0.009 4.722 4.740 -0.044 0.000 0.186 85 N C 1.179 176.726 175.510 0.061 0.000 1.110 85 N CA 0.556 53.668 53.050 0.104 0.000 0.912 85 N CB -0.115 38.425 38.487 0.088 0.000 0.968 85 N HN 0.532 nan 8.380 nan 0.000 0.448 86 L N -0.405 120.849 121.223 0.052 0.000 2.552 86 L HA -0.067 4.246 4.340 -0.044 0.000 0.227 86 L C 1.951 178.715 176.870 -0.178 0.000 1.146 86 L CA 0.216 54.995 54.840 -0.102 0.000 0.858 86 L CB -0.340 41.628 42.059 -0.152 0.000 0.969 86 L HN 0.077 nan 8.230 nan 0.000 0.451 87 Y N 1.739 121.962 120.300 -0.129 0.000 2.097 87 Y HA -0.140 4.382 4.550 -0.047 0.000 0.282 87 Y C -0.154 175.596 175.900 -0.251 0.000 1.152 87 Y CA 0.966 58.950 58.100 -0.193 0.000 1.136 87 Y CB -1.625 36.835 38.460 0.000 0.000 0.975 87 Y HN 0.148 nan 8.280 nan 0.000 0.498 88 P HA -0.152 nan 4.420 nan 0.000 0.215 88 P C 1.494 178.673 177.300 -0.202 0.000 1.157 88 P CA 2.505 65.549 63.100 -0.093 0.000 0.863 88 P CB -0.252 31.464 31.700 0.027 0.000 0.787 89 A N -0.961 121.605 122.820 -0.424 0.000 1.972 89 A HA -0.165 4.129 4.320 -0.044 0.000 0.219 89 A C 2.140 179.570 177.584 -0.257 0.000 1.169 89 A CA 1.341 53.098 52.037 -0.467 0.000 0.635 89 A CB -1.627 17.027 19.000 -0.576 0.000 0.810 89 A HN 0.148 nan 8.150 nan 0.000 0.446 90 L N -0.046 121.021 121.223 -0.260 0.000 2.005 90 L HA -0.087 4.226 4.340 -0.044 0.000 0.207 90 L C 2.260 179.051 176.870 -0.131 0.000 1.072 90 L CA 1.738 56.434 54.840 -0.240 0.000 0.744 90 L CB -0.448 41.350 42.059 -0.434 0.000 0.895 90 L HN 0.429 nan 8.230 nan 0.000 0.433 91 I N -0.120 120.361 120.570 -0.149 0.000 2.091 91 I HA -0.405 3.739 4.170 -0.044 0.000 0.240 91 I C 2.562 178.631 176.117 -0.079 0.000 1.046 91 I CA 1.994 63.190 61.300 -0.174 0.000 1.306 91 I CB -0.478 37.296 38.000 -0.377 0.000 1.018 91 I HN 0.434 nan 8.210 nan 0.000 0.404 92 E N 1.277 121.429 120.200 -0.079 0.000 2.097 92 E HA -0.257 4.066 4.350 -0.044 0.000 0.196 92 E C 2.028 178.610 176.600 -0.029 0.000 1.000 92 E CA 1.854 58.234 56.400 -0.033 0.000 0.804 92 E CB -0.239 29.463 29.700 0.004 0.000 0.740 92 E HN 0.465 nan 8.360 nan 0.000 0.454 93 A N 0.159 122.949 122.820 -0.050 0.000 1.940 93 A HA -0.065 4.229 4.320 -0.044 0.000 0.219 93 A C 2.460 180.025 177.584 -0.032 0.000 1.176 93 A CA 1.734 53.742 52.037 -0.048 0.000 0.631 93 A CB -1.283 17.674 19.000 -0.072 0.000 0.814 93 A HN 0.440 nan 8.150 nan 0.000 0.446 94 G N -0.845 107.947 108.800 -0.013 0.000 2.448 94 G HA2 0.029 3.963 3.960 -0.044 0.000 0.218 94 G HA3 0.029 3.963 3.960 -0.044 0.000 0.218 94 G C 1.444 176.349 174.900 0.007 0.000 1.135 94 G CA 0.893 45.999 45.100 0.011 0.000 0.784 94 G HN 0.440 nan 8.290 nan 0.000 0.543 95 L N 0.575 121.800 121.223 0.004 0.000 2.298 95 L HA 0.103 4.416 4.340 -0.044 0.000 0.209 95 L C 2.912 179.777 176.870 -0.009 0.000 1.084 95 L CA 1.434 56.275 54.840 0.002 0.000 0.816 95 L CB 0.061 42.122 42.059 0.004 0.000 0.967 95 L HN 0.297 nan 8.230 nan 0.000 0.460 96 T N -4.702 109.844 114.554 -0.013 0.000 3.037 96 T HA 0.300 4.624 4.350 -0.044 0.000 0.252 96 T C 1.446 176.127 174.700 -0.032 0.000 1.073 96 T CA 0.570 62.662 62.100 -0.014 0.000 1.091 96 T CB 0.846 69.715 68.868 0.002 0.000 0.935 96 T HN 0.345 nan 8.240 nan 0.000 0.488 97 G N 0.962 109.735 108.800 -0.045 0.000 2.201 97 G HA2 -0.181 3.753 3.960 -0.044 0.000 0.212 97 G HA3 -0.181 3.753 3.960 -0.044 0.000 0.212 97 G C -0.205 174.651 174.900 -0.073 0.000 0.994 97 G CA -0.287 44.767 45.100 -0.075 0.000 0.644 97 G HN 0.548 nan 8.290 nan 0.000 0.508 98 E N 0.935 121.102 120.200 -0.054 0.000 2.534 98 E HA 0.327 4.650 4.350 -0.044 0.000 0.264 98 E C 0.562 177.129 176.600 -0.055 0.000 0.981 98 E CA 0.631 56.999 56.400 -0.054 0.000 0.948 98 E CB 0.314 29.980 29.700 -0.057 0.000 0.934 98 E HN 0.395 nan 8.360 nan 0.000 0.459 99 K N 3.077 123.450 120.400 -0.044 0.000 2.142 99 K HA 0.178 4.471 4.320 -0.044 0.000 0.250 99 K C -0.494 176.087 176.600 -0.032 0.000 1.148 99 K CA -0.038 56.229 56.287 -0.033 0.000 1.040 99 K CB 0.058 32.548 32.500 -0.016 0.000 1.569 99 K HN 0.292 nan 8.250 nan 0.000 0.361 100 L N 4.155 125.350 121.223 -0.048 0.000 2.313 100 L HA 0.205 4.519 4.340 -0.044 0.000 0.282 100 L C -0.009 176.843 176.870 -0.030 0.000 1.092 100 L CA -0.497 54.310 54.840 -0.056 0.000 0.831 100 L CB 0.413 42.415 42.059 -0.096 0.000 1.159 100 L HN 0.370 nan 8.230 nan 0.000 0.442 101 I N 5.966 126.529 120.570 -0.012 0.000 2.310 101 I HA 0.210 4.354 4.170 -0.044 0.000 0.287 101 I C 0.177 176.309 176.117 0.025 0.000 1.073 101 I CA -0.311 60.997 61.300 0.013 0.000 1.216 101 I CB 0.791 38.802 38.000 0.018 0.000 1.415 101 I HN 0.457 nan 8.210 nan 0.000 0.480 102 L N 6.724 127.981 121.223 0.058 0.000 2.334 102 L HA 0.310 4.624 4.340 -0.044 0.000 0.286 102 L C 0.255 177.217 176.870 0.153 0.000 1.108 102 L CA -0.300 54.592 54.840 0.087 0.000 0.875 102 L CB 0.158 42.279 42.059 0.104 0.000 1.246 102 L HN 0.359 nan 8.230 nan 0.000 0.439 103 L N 4.164 125.448 121.223 0.102 0.000 2.433 103 L HA 0.154 4.468 4.340 -0.044 0.000 0.284 103 L C 0.706 177.671 176.870 0.157 0.000 1.120 103 L CA -0.153 54.761 54.840 0.123 0.000 0.879 103 L CB 0.078 42.192 42.059 0.091 0.000 1.232 103 L HN 0.586 nan 8.230 nan 0.000 0.454 104 T N 0.324 115.003 114.554 0.209 0.000 2.733 104 T HA 0.625 4.949 4.350 -0.044 0.000 0.294 104 T C 0.300 175.097 174.700 0.162 0.000 0.956 104 T CA -0.797 61.421 62.100 0.196 0.000 0.987 104 T CB 1.663 70.691 68.868 0.267 0.000 0.920 104 T HN 0.538 nan 8.240 nan 0.000 0.470 105 A N 3.053 125.975 122.820 0.170 0.000 2.386 105 A HA 0.590 4.883 4.320 -0.044 0.000 0.248 105 A C 0.151 177.819 177.584 0.140 0.000 1.082 105 A CA -0.462 51.702 52.037 0.211 0.000 0.789 105 A CB 0.293 19.450 19.000 0.262 0.000 1.025 105 A HN 0.913 nan 8.150 nan 0.000 0.490 106 D N -0.127 120.343 120.400 0.116 0.000 2.753 106 D HA 0.317 4.931 4.640 -0.044 0.000 0.224 106 D C -0.473 175.863 176.300 0.059 0.000 1.213 106 D CA -0.589 53.445 54.000 0.056 0.000 0.833 106 D CB 1.185 41.989 40.800 0.007 0.000 1.607 106 D HN 0.412 nan 8.370 nan 0.000 0.463 107 R N 2.004 122.529 120.500 0.042 0.000 2.734 107 R HA 0.278 4.591 4.340 -0.044 0.000 0.266 107 R C -1.937 174.368 176.300 0.008 0.000 1.044 107 R CA -0.947 55.173 56.100 0.034 0.000 1.128 107 R CB -0.066 30.247 30.300 0.020 0.000 1.010 107 R HN 0.396 nan 8.270 nan 0.000 0.461 108 P HA 0.135 nan 4.420 nan 0.000 0.274 108 P C -2.111 175.171 177.300 -0.030 0.000 1.246 108 P CA -1.411 61.670 63.100 -0.030 0.000 0.795 108 P CB 0.445 32.127 31.700 -0.029 0.000 1.006 109 P HA -0.003 nan 4.420 nan 0.000 0.240 109 P C 0.775 178.058 177.300 -0.028 0.000 1.190 109 P CA 0.898 63.978 63.100 -0.033 0.000 0.781 109 P CB 0.094 31.771 31.700 -0.037 0.000 0.931 110 E N 0.318 120.500 120.200 -0.030 0.000 2.267 110 E HA -0.083 4.241 4.350 -0.044 0.000 0.197 110 E C 1.435 178.024 176.600 -0.018 0.000 0.998 110 E CA 0.815 57.200 56.400 -0.025 0.000 0.830 110 E CB -0.721 28.963 29.700 -0.026 0.000 0.751 110 E HN 0.315 nan 8.360 nan 0.000 0.491 111 L N 0.906 122.120 121.223 -0.015 0.000 2.728 111 L HA 0.171 4.485 4.340 -0.044 0.000 0.235 111 L C -0.251 176.614 176.870 -0.008 0.000 1.197 111 L CA -0.423 54.412 54.840 -0.009 0.000 0.992 111 L CB 0.273 42.330 42.059 -0.003 0.000 1.263 111 L HN 0.078 nan 8.230 nan 0.000 0.484 112 I N 0.174 120.737 120.570 -0.011 0.000 2.359 112 I HA 0.233 4.377 4.170 -0.044 0.000 0.294 112 I C 0.157 176.269 176.117 -0.010 0.000 0.987 112 I CA -0.196 61.097 61.300 -0.010 0.000 1.225 112 I CB 1.219 39.210 38.000 -0.014 0.000 1.366 112 I HN 0.102 nan 8.210 nan 0.000 0.466 113 D N 3.671 124.066 120.400 -0.008 0.000 2.835 113 D HA -0.170 4.444 4.640 -0.044 0.000 0.230 113 D C 0.494 176.791 176.300 -0.006 0.000 1.130 113 D CA 1.018 55.014 54.000 -0.007 0.000 0.738 113 D CB -1.349 39.446 40.800 -0.008 0.000 1.090 113 D HN 0.815 nan 8.370 nan 0.000 0.433 114 C N -3.177 116.120 119.300 -0.005 0.000 3.359 114 C HA 0.716 5.149 4.460 -0.044 0.000 0.258 114 C C 1.726 176.714 174.990 -0.004 0.000 1.840 114 C CA 0.229 59.243 59.018 -0.005 0.000 1.746 114 C CB -0.042 27.694 27.740 -0.007 0.000 3.306 114 C HN 0.804 nan 8.230 nan 0.000 0.485 115 G N 1.561 110.359 108.800 -0.002 0.000 2.233 115 G HA2 0.071 4.005 3.960 -0.044 0.000 0.270 115 G HA3 0.071 4.005 3.960 -0.044 0.000 0.270 115 G C 0.528 175.428 174.900 -0.000 0.000 1.011 115 G CA 0.653 45.752 45.100 -0.001 0.000 0.762 115 G HN 1.757 nan 8.290 nan 0.000 0.511 116 A N -0.605 122.214 122.820 -0.000 0.000 2.475 116 A HA 0.451 4.745 4.320 -0.044 0.000 0.239 116 A C 0.776 178.362 177.584 0.004 0.000 1.087 116 A CA 0.490 52.528 52.037 0.002 0.000 0.779 116 A CB 0.222 19.223 19.000 0.002 0.000 1.036 116 A HN 0.637 nan 8.150 nan 0.000 0.506 117 N N 0.127 118.831 118.700 0.006 0.000 2.518 117 N HA 0.149 4.862 4.740 -0.044 0.000 0.283 117 N C -0.316 175.201 175.510 0.011 0.000 1.119 117 N CA 0.071 53.125 53.050 0.008 0.000 0.983 117 N CB 0.598 39.090 38.487 0.008 0.000 1.139 117 N HN 0.735 nan 8.380 nan 0.000 0.465 118 Q N 0.772 120.579 119.800 0.012 0.000 2.453 118 Q HA -0.236 4.077 4.340 -0.044 0.000 0.330 118 Q C -1.863 174.147 176.000 0.016 0.000 1.417 118 Q CA 0.466 56.278 55.803 0.015 0.000 0.902 118 Q CB -1.162 27.588 28.738 0.019 0.000 1.154 118 Q HN 0.610 nan 8.270 nan 0.000 0.395 119 A N 1.720 124.545 122.820 0.009 0.000 2.429 119 A HA 0.828 5.122 4.320 -0.044 0.000 0.289 119 A C -0.521 177.062 177.584 -0.001 0.000 1.043 119 A CA -0.258 51.782 52.037 0.006 0.000 0.722 119 A CB 1.113 20.116 19.000 0.005 0.000 1.243 119 A HN 0.662 nan 8.150 nan 0.000 0.415 120 I N -1.350 119.215 120.570 -0.008 0.000 3.279 120 I HA 0.665 4.809 4.170 -0.044 0.000 0.315 120 I C -0.850 175.251 176.117 -0.026 0.000 1.225 120 I CA -1.433 59.857 61.300 -0.017 0.000 0.947 120 I CB 1.963 39.950 38.000 -0.022 0.000 1.293 120 I HN 0.545 nan 8.210 nan 0.000 0.468 121 R N 1.998 122.477 120.500 -0.035 0.000 2.210 121 R HA 0.293 4.607 4.340 -0.044 0.000 0.338 121 R C -0.004 176.257 176.300 -0.064 0.000 1.062 121 R CA -0.235 55.841 56.100 -0.040 0.000 0.902 121 R CB 1.322 31.602 30.300 -0.033 0.000 1.050 121 R HN 0.689 nan 8.270 nan 0.000 0.461 122 Q N 2.152 121.917 119.800 -0.058 0.000 2.200 122 Q HA 0.086 4.399 4.340 -0.044 0.000 0.197 122 Q C -1.620 174.349 176.000 -0.053 0.000 0.953 122 Q CA -0.023 55.733 55.803 -0.077 0.000 0.851 122 Q CB -0.354 28.365 28.738 -0.033 0.000 0.938 122 Q HN 0.422 nan 8.270 nan 0.000 0.488 123 P HA -0.030 nan 4.420 nan 0.000 0.263 123 P C 0.389 177.678 177.300 -0.019 0.000 1.195 123 P CA 1.700 64.781 63.100 -0.032 0.000 0.762 123 P CB 0.619 32.298 31.700 -0.036 0.000 0.799 124 G N 2.877 111.686 108.800 0.016 0.000 2.284 124 G HA2 -0.328 3.606 3.960 -0.044 0.000 0.216 124 G HA3 -0.328 3.606 3.960 -0.044 0.000 0.216 124 G C 1.152 176.029 174.900 -0.039 0.000 1.009 124 G CA 0.268 45.376 45.100 0.013 0.000 0.625 124 G HN 0.436 nan 8.290 nan 0.000 0.501 125 M N -0.277 119.202 119.600 -0.201 0.000 2.192 125 M HA 0.026 4.480 4.480 -0.044 0.000 0.259 125 M C 1.550 177.593 176.300 -0.428 0.000 1.071 125 M CA 1.695 56.755 55.300 -0.400 0.000 1.082 125 M CB -0.290 31.782 32.600 -0.880 0.000 1.373 125 M HN 0.285 nan 8.290 nan 0.000 0.408 126 F N -0.570 119.278 119.950 -0.170 0.000 2.641 126 F HA 0.486 4.986 4.527 -0.045 0.000 0.302 126 F C 1.330 177.234 175.800 0.173 0.000 1.098 126 F CA -0.071 57.763 58.000 -0.277 0.000 1.318 126 F CB -1.122 37.698 39.000 -0.301 0.000 1.035 126 F HN 0.169 nan 8.300 nan 0.000 0.551 127 A N 0.574 123.558 122.820 0.273 0.000 5.584 127 A HA -0.359 3.935 4.320 -0.044 0.000 0.303 127 A C 1.837 179.528 177.584 0.179 0.000 1.923 127 A CA 1.889 54.060 52.037 0.224 0.000 0.717 127 A CB -1.928 17.236 19.000 0.274 0.000 1.281 127 A HN 0.536 nan 8.150 nan 0.000 0.379 128 S N -0.920 114.801 115.700 0.035 0.000 2.527 128 S HA 0.020 4.464 4.470 -0.044 0.000 0.222 128 S C 1.367 175.906 174.600 -0.101 0.000 0.985 128 S CA 1.062 59.224 58.200 -0.062 0.000 0.921 128 S CB -0.536 62.572 63.200 -0.152 0.000 0.772 128 S HN 0.722 nan 8.310 nan 0.000 0.529 129 H N 2.939 122.109 119.070 0.167 0.000 2.352 129 H HA 0.061 4.591 4.556 -0.043 0.000 0.299 129 H C -1.369 174.000 175.328 0.070 0.000 1.097 129 H CA 0.982 57.107 56.048 0.128 0.000 1.311 129 H CB -2.092 27.793 29.762 0.205 0.000 1.377 129 H HN 0.453 nan 8.280 nan 0.000 0.504 130 P HA 0.038 nan 4.420 nan 0.000 0.272 130 P C 0.636 177.959 177.300 0.038 0.000 1.240 130 P CA 0.242 63.404 63.100 0.104 0.000 0.791 130 P CB 0.924 32.727 31.700 0.171 0.000 0.978 131 T N -1.344 113.191 114.554 -0.032 0.000 2.937 131 T HA 0.007 4.331 4.350 -0.044 0.000 0.260 131 T C 0.459 174.988 174.700 -0.286 0.000 1.051 131 T CA 1.289 63.286 62.100 -0.171 0.000 1.141 131 T CB -0.307 68.411 68.868 -0.251 0.000 0.879 131 T HN 0.453 nan 8.240 nan 0.000 0.459 132 H N 0.356 119.450 119.070 0.041 0.000 2.600 132 H HA 0.621 5.143 4.556 -0.056 0.000 0.357 132 H C -0.905 174.468 175.328 0.076 0.000 1.106 132 H CA -0.584 55.488 56.048 0.040 0.000 1.193 132 H CB 1.841 31.600 29.762 -0.005 0.000 1.594 132 H HN 0.006 nan 8.280 nan 0.000 0.526 133 S N 2.853 118.677 115.700 0.205 0.000 2.482 133 S HA 0.554 4.998 4.470 -0.044 0.000 0.303 133 S C 0.133 174.775 174.600 0.070 0.000 1.091 133 S CA -0.649 57.645 58.200 0.156 0.000 1.057 133 S CB 1.137 64.437 63.200 0.167 0.000 1.031 133 S HN 0.374 nan 8.310 nan 0.000 0.485 134 I N 2.234 122.789 120.570 -0.025 0.000 2.465 134 I HA 0.333 4.477 4.170 -0.044 0.000 0.291 134 I C -0.461 175.601 176.117 -0.093 0.000 1.014 134 I CA -0.444 60.832 61.300 -0.040 0.000 1.093 134 I CB 2.118 40.090 38.000 -0.047 0.000 1.267 134 I HN 0.472 nan 8.210 nan 0.000 0.431 135 S N 7.235 122.922 115.700 -0.021 0.000 2.528 135 S HA 0.481 4.925 4.470 -0.044 0.000 0.303 135 S C -0.198 174.449 174.600 0.078 0.000 1.123 135 S CA -0.608 57.581 58.200 -0.018 0.000 1.138 135 S CB 0.413 63.601 63.200 -0.020 0.000 0.984 135 S HN 0.376 nan 8.310 nan 0.000 0.474 136 L N 4.875 126.152 121.223 0.090 0.000 2.426 136 L HA 0.329 4.643 4.340 -0.044 0.000 0.271 136 L C -1.731 175.274 176.870 0.226 0.000 1.169 136 L CA -1.707 53.278 54.840 0.242 0.000 0.836 136 L CB 0.504 42.703 42.059 0.234 0.000 1.112 136 L HN 0.309 nan 8.230 nan 0.000 0.465 137 P HA 0.084 nan 4.420 nan 0.000 0.277 137 P C -0.842 176.472 177.300 0.024 0.000 1.271 137 P CA -0.769 62.403 63.100 0.120 0.000 0.795 137 P CB 0.470 32.206 31.700 0.060 0.000 1.101 138 R N 1.121 121.559 120.500 -0.103 0.000 2.486 138 R HA 0.074 4.388 4.340 -0.044 0.000 0.303 138 R C -1.924 174.112 176.300 -0.440 0.000 0.958 138 R CA -0.927 55.032 56.100 -0.234 0.000 1.077 138 R CB -0.884 29.312 30.300 -0.173 0.000 0.921 138 R HN 0.333 nan 8.270 nan 0.000 0.406 139 P HA -0.017 nan 4.420 nan 0.000 0.263 139 P C -1.004 175.896 177.300 -0.667 0.000 1.195 139 P CA 0.382 62.555 63.100 -1.545 0.000 0.762 139 P CB 1.183 32.004 31.700 -1.466 0.000 0.799 140 T N 1.492 115.754 114.554 -0.485 0.000 2.933 140 T HA 0.166 4.490 4.350 -0.044 0.000 0.305 140 T C 0.604 175.136 174.700 -0.279 0.000 1.092 140 T CA -0.591 61.331 62.100 -0.297 0.000 1.008 140 T CB 1.134 69.869 68.868 -0.222 0.000 1.102 140 T HN 0.281 nan 8.240 nan 0.000 0.469 141 Q N 1.430 120.766 119.800 -0.774 0.000 2.488 141 Q HA -0.017 4.297 4.340 -0.044 0.000 0.211 141 Q C 0.651 176.639 176.000 -0.020 0.000 0.967 141 Q CA 0.650 56.115 55.803 -0.563 0.000 0.926 141 Q CB 0.139 28.537 28.738 -0.566 0.000 0.992 141 Q HN 0.644 nan 8.270 nan 0.000 0.506 142 D N 0.575 120.942 120.400 -0.056 0.000 2.350 142 D HA -0.026 4.588 4.640 -0.044 0.000 0.216 142 D C 0.287 176.658 176.300 0.118 0.000 0.968 142 D CA 0.852 54.873 54.000 0.034 0.000 0.894 142 D CB 0.266 41.045 40.800 -0.035 0.000 0.909 142 D HN 0.277 nan 8.370 nan 0.000 0.520 143 I N 2.704 123.418 120.570 0.239 0.000 2.339 143 I HA 0.180 4.324 4.170 -0.044 0.000 0.290 143 I C -2.159 174.284 176.117 0.543 0.000 0.994 143 I CA -2.213 59.229 61.300 0.237 0.000 1.191 143 I CB 2.405 40.510 38.000 0.175 0.000 1.343 143 I HN -0.290 nan 8.210 nan 0.000 0.458 144 P HA 0.101 nan 4.420 nan 0.000 0.274 144 P C 0.297 177.670 177.300 0.120 0.000 1.246 144 P CA -0.283 62.985 63.100 0.280 0.000 0.795 144 P CB 1.227 32.966 31.700 0.065 0.000 1.006 145 A N 3.182 125.673 122.820 -0.549 0.000 1.940 145 A HA -0.234 4.060 4.320 -0.044 0.000 0.219 145 A C 2.227 179.359 177.584 -0.753 0.000 1.176 145 A CA 1.834 53.319 52.037 -0.920 0.000 0.631 145 A CB -1.091 17.020 19.000 -1.481 0.000 0.814 145 A HN 0.695 nan 8.150 nan 0.000 0.446 146 R N -1.717 118.347 120.500 -0.727 0.000 2.096 146 R HA -0.209 4.105 4.340 -0.044 0.000 0.235 146 R C 2.075 178.058 176.300 -0.529 0.000 1.127 146 R CA 1.679 57.210 56.100 -0.949 0.000 0.968 146 R CB -0.807 29.139 30.300 -0.591 0.000 0.861 146 R HN 0.670 nan 8.270 nan 0.000 0.440 147 W N 1.756 122.843 121.300 -0.356 0.000 2.355 147 W HA -0.160 4.477 4.660 -0.039 0.000 0.309 147 W C 1.880 178.253 176.519 -0.244 0.000 1.206 147 W CA 1.057 58.280 57.345 -0.202 0.000 1.284 147 W CB -0.242 29.171 29.460 -0.077 0.000 1.145 147 W HN 0.127 nan 8.180 nan 0.000 0.502 148 L N 0.385 121.495 121.223 -0.187 0.000 2.072 148 L HA -0.084 4.229 4.340 -0.044 0.000 0.205 148 L C 2.422 178.931 176.870 -0.602 0.000 1.079 148 L CA 2.037 56.562 54.840 -0.525 0.000 0.752 148 L CB -1.460 40.368 42.059 -0.386 0.000 0.906 148 L HN 0.055 nan 8.230 nan 0.000 0.436 149 V N -1.116 118.416 119.914 -0.637 0.000 2.358 149 V HA -0.249 3.845 4.120 -0.044 0.000 0.246 149 V C 2.467 178.298 176.094 -0.438 0.000 1.047 149 V CA 2.139 64.067 62.300 -0.619 0.000 1.035 149 V CB -0.192 31.049 31.823 -0.971 0.000 0.658 149 V HN 0.663 nan 8.190 nan 0.000 0.452 150 S N 0.003 115.434 115.700 -0.447 0.000 2.368 150 S HA -0.210 4.233 4.470 -0.044 0.000 0.225 150 S C 1.897 176.323 174.600 -0.290 0.000 1.030 150 S CA 1.946 60.009 58.200 -0.228 0.000 0.999 150 S CB -0.729 62.389 63.200 -0.137 0.000 0.844 150 S HN 0.768 nan 8.310 nan 0.000 0.459 151 T N 2.718 116.927 114.554 -0.574 0.000 2.803 151 T HA -0.027 4.296 4.350 -0.044 0.000 0.269 151 T C 1.653 176.152 174.700 -0.334 0.000 1.052 151 T CA 0.971 62.725 62.100 -0.577 0.000 1.136 151 T CB -0.287 67.966 68.868 -1.025 0.000 0.864 151 T HN 0.258 nan 8.240 nan 0.000 0.467 152 I N 1.434 121.811 120.570 -0.322 0.000 2.235 152 I HA -0.077 4.066 4.170 -0.044 0.000 0.241 152 I C 2.210 178.215 176.117 -0.187 0.000 1.085 152 I CA 1.239 62.403 61.300 -0.227 0.000 1.378 152 I CB -0.893 37.002 38.000 -0.174 0.000 1.076 152 I HN 0.138 nan 8.210 nan 0.000 0.415 153 D N 0.050 120.405 120.400 -0.076 0.000 2.158 153 D HA -0.261 4.352 4.640 -0.044 0.000 0.197 153 D C 2.040 178.331 176.300 -0.014 0.000 0.995 153 D CA 1.587 55.633 54.000 0.077 0.000 0.846 153 D CB -0.363 40.539 40.800 0.172 0.000 0.941 153 D HN 0.497 nan 8.370 nan 0.000 0.456 154 H N 0.163 119.145 119.070 -0.146 0.000 2.363 154 H HA 0.130 4.661 4.556 -0.042 0.000 0.301 154 H C 1.841 177.010 175.328 -0.266 0.000 1.074 154 H CA 1.968 57.918 56.048 -0.163 0.000 1.354 154 H CB -0.117 29.536 29.762 -0.182 0.000 1.397 154 H HN 0.025 nan 8.280 nan 0.000 0.516 155 A N 1.210 123.754 122.820 -0.460 0.000 1.877 155 A HA -0.075 4.218 4.320 -0.044 0.000 0.216 155 A C 2.266 179.593 177.584 -0.430 0.000 1.186 155 A CA 1.490 53.141 52.037 -0.644 0.000 0.620 155 A CB -0.655 18.136 19.000 -0.349 0.000 0.822 155 A HN 0.432 nan 8.150 nan 0.000 0.443 156 L N -0.448 120.551 121.223 -0.374 0.000 2.093 156 L HA -0.079 4.235 4.340 -0.044 0.000 0.208 156 L C 2.752 179.489 176.870 -0.221 0.000 1.085 156 L CA 1.974 56.588 54.840 -0.377 0.000 0.755 156 L CB -2.116 39.445 42.059 -0.830 0.000 0.904 156 L HN 0.461 nan 8.230 nan 0.000 0.435 157 G N -0.335 108.362 108.800 -0.172 0.000 2.418 157 G HA2 -0.257 3.676 3.960 -0.044 0.000 0.217 157 G HA3 -0.257 3.676 3.960 -0.044 0.000 0.217 157 G C 1.382 176.276 174.900 -0.010 0.000 1.158 157 G CA 1.287 46.407 45.100 0.032 0.000 0.771 157 G HN 0.479 nan 8.290 nan 0.000 0.545 158 T N -1.647 112.842 114.554 -0.108 0.000 3.235 158 T HA 0.427 4.751 4.350 -0.044 0.000 0.251 158 T C 0.453 175.223 174.700 0.117 0.000 1.060 158 T CA -0.474 61.608 62.100 -0.029 0.000 0.949 158 T CB 0.142 68.928 68.868 -0.137 0.000 1.020 158 T HN 0.066 nan 8.240 nan 0.000 0.564 159 L N 2.010 123.296 121.223 0.106 0.000 2.259 159 L HA 0.450 4.763 4.340 -0.044 0.000 0.288 159 L C 1.171 178.107 176.870 0.110 0.000 1.051 159 L CA -0.413 54.506 54.840 0.132 0.000 0.824 159 L CB 0.649 42.774 42.059 0.109 0.000 1.206 159 L HN 0.238 nan 8.230 nan 0.000 0.429 160 H N 4.555 123.625 119.070 -0.000 0.000 2.319 160 H HA 0.272 4.835 4.556 0.013 0.000 0.299 160 H C 0.184 175.505 175.328 -0.012 0.000 1.092 160 H CA 1.182 57.226 56.048 -0.007 0.000 1.302 160 H CB 0.401 30.155 29.762 -0.014 0.000 1.373 160 H HN 0.711 nan 8.280 nan 0.000 0.497 161 A N -2.204 120.561 122.820 -0.092 0.000 2.586 161 A HA 0.579 4.873 4.320 -0.044 0.000 0.291 161 A C 0.087 177.623 177.584 -0.080 0.000 1.062 161 A CA -0.076 51.875 52.037 -0.143 0.000 0.666 161 A CB 0.526 19.389 19.000 -0.229 0.000 1.281 161 A HN 1.063 nan 8.150 nan 0.000 0.421 162 G N -0.966 107.793 108.800 -0.070 0.000 2.728 162 G HA2 0.469 4.403 3.960 -0.044 0.000 0.294 162 G HA3 0.469 4.403 3.960 -0.044 0.000 0.294 162 G C 0.495 175.371 174.900 -0.041 0.000 1.342 162 G CA 0.012 45.081 45.100 -0.052 0.000 0.866 162 G HN 2.331 nan 8.290 nan 0.000 0.534 163 G N -1.508 107.272 108.800 -0.034 0.000 2.476 163 G HA2 0.666 4.600 3.960 -0.044 0.000 0.269 163 G HA3 0.666 4.600 3.960 -0.044 0.000 0.269 163 G C -0.211 174.703 174.900 0.024 0.000 1.195 163 G CA 0.275 45.359 45.100 -0.026 0.000 0.843 163 G HN 1.387 nan 8.290 nan 0.000 0.545 164 V N 1.517 121.463 119.914 0.053 0.000 2.513 164 V HA 0.322 4.416 4.120 -0.044 0.000 0.299 164 V C -0.263 175.937 176.094 0.178 0.000 1.035 164 V CA -0.779 61.591 62.300 0.116 0.000 0.889 164 V CB 1.692 33.568 31.823 0.089 0.000 0.988 164 V HN 0.872 nan 8.190 nan 0.000 0.440 165 H N 5.112 124.245 119.070 0.105 0.000 2.673 165 H HA 0.466 4.995 4.556 -0.046 0.000 0.293 165 H C -1.315 174.079 175.328 0.111 0.000 1.065 165 H CA -1.034 55.103 56.048 0.148 0.000 1.236 165 H CB 0.915 30.838 29.762 0.269 0.000 1.389 165 H HN 0.448 nan 8.280 nan 0.000 0.481 166 I N 4.652 125.309 120.570 0.146 0.000 2.291 166 I HA 0.061 4.205 4.170 -0.044 0.000 0.290 166 I C 0.314 176.405 176.117 -0.043 0.000 1.050 166 I CA -0.571 60.717 61.300 -0.019 0.000 1.245 166 I CB 0.383 38.388 38.000 0.009 0.000 1.405 166 I HN 0.577 nan 8.210 nan 0.000 0.478 167 N N 5.369 123.919 118.700 -0.250 0.000 2.458 167 N HA 0.343 5.057 4.740 -0.044 0.000 0.270 167 N C -1.276 174.202 175.510 -0.054 0.000 1.102 167 N CA -0.100 52.871 53.050 -0.132 0.000 0.967 167 N CB 0.588 38.932 38.487 -0.238 0.000 1.078 167 N HN 0.578 nan 8.380 nan 0.000 0.471 168 C N 6.135 125.417 119.300 -0.030 0.000 2.386 168 C HA 0.480 4.914 4.460 -0.044 0.000 0.318 168 C C -2.349 172.453 174.990 -0.314 0.000 1.128 168 C CA -1.535 57.401 59.018 -0.137 0.000 1.438 168 C CB 0.809 28.492 27.740 -0.095 0.000 1.987 168 C HN 0.632 nan 8.230 nan 0.000 0.426 169 P HA 0.376 nan 4.420 nan 0.000 0.275 169 P C -1.011 175.909 177.300 -0.633 0.000 1.227 169 P CA 0.139 63.056 63.100 -0.305 0.000 0.781 169 P CB 0.537 32.136 31.700 -0.168 0.000 0.906 170 F N 0.705 120.642 119.950 -0.020 0.000 2.529 170 F HA 0.518 5.019 4.527 -0.043 0.000 0.320 170 F C 0.601 176.360 175.800 -0.069 0.000 1.118 170 F CA -1.020 56.942 58.000 -0.063 0.000 0.915 170 F CB 1.454 40.441 39.000 -0.021 0.000 1.161 170 F HN 0.248 nan 8.300 nan 0.000 0.445 171 A N 2.697 125.560 122.820 0.073 0.000 2.440 171 A HA 0.356 4.650 4.320 -0.044 0.000 0.251 171 A C 0.013 177.627 177.584 0.050 0.000 1.089 171 A CA -0.565 51.487 52.037 0.025 0.000 0.779 171 A CB 0.021 19.006 19.000 -0.025 0.000 1.022 171 A HN 0.709 nan 8.150 nan 0.000 0.492 172 E N 3.494 123.711 120.200 0.029 0.000 2.194 172 E HA 0.474 4.798 4.350 -0.044 0.000 0.284 172 E C -2.349 174.255 176.600 0.007 0.000 1.035 172 E CA -1.272 55.141 56.400 0.022 0.000 0.836 172 E CB 0.884 30.596 29.700 0.019 0.000 1.070 172 E HN 0.604 nan 8.360 nan 0.000 0.401 173 P HA 0.522 nan 4.420 nan 0.000 0.308 173 P C -0.947 176.350 177.300 -0.005 0.000 1.236 173 P CA -0.781 62.320 63.100 0.002 0.000 0.971 173 P CB 1.571 33.271 31.700 -0.001 0.000 1.399 178 M N 2.529 122.139 119.600 0.017 0.000 3.176 178 M HA 0.106 4.559 4.480 -0.044 0.000 0.284 178 M C 0.085 176.402 176.300 0.028 0.000 1.392 178 M CA -0.214 55.101 55.300 0.025 0.000 1.520 178 M CB -0.395 32.218 32.600 0.022 0.000 1.100 178 M HN 0.242 nan 8.290 nan 0.000 0.555 179 D N -0.005 120.414 120.400 0.032 0.000 2.496 179 D HA 0.115 4.729 4.640 -0.044 0.000 0.283 179 D C -0.036 176.292 176.300 0.048 0.000 1.214 179 D CA -0.312 53.707 54.000 0.032 0.000 1.089 179 D CB 0.596 41.412 40.800 0.028 0.000 1.141 179 D HN 0.090 nan 8.370 nan 0.000 0.580 180 D N -2.122 118.309 120.400 0.052 0.000 2.427 180 D HA 0.178 4.792 4.640 -0.044 0.000 0.224 180 D C 0.723 177.081 176.300 0.097 0.000 1.157 180 D CA 0.096 54.135 54.000 0.066 0.000 0.828 180 D CB 0.003 40.835 40.800 0.052 0.000 0.974 180 D HN 0.265 nan 8.370 nan 0.000 0.498 181 T N -1.581 113.038 114.554 0.108 0.000 2.985 181 T HA -0.017 4.307 4.350 -0.044 0.000 0.266 181 T C 1.901 176.725 174.700 0.207 0.000 1.076 181 T CA 1.064 63.231 62.100 0.113 0.000 1.135 181 T CB 0.082 68.999 68.868 0.082 0.000 0.890 181 T HN 0.292 nan 8.240 nan 0.000 0.480 182 G N 0.743 109.718 108.800 0.291 0.000 2.598 182 G HA2 -0.024 3.910 3.960 -0.044 0.000 0.215 182 G HA3 -0.024 3.910 3.960 -0.044 0.000 0.215 182 G C 1.409 176.594 174.900 0.476 0.000 1.131 182 G CA 0.343 45.732 45.100 0.483 0.000 0.785 182 G HN 0.410 nan 8.290 nan 0.000 0.539 183 L N 1.105 122.507 121.223 0.300 0.000 2.200 183 L HA 0.117 4.430 4.340 -0.044 0.000 0.200 183 L C 3.006 180.007 176.870 0.218 0.000 1.072 183 L CA 2.049 57.023 54.840 0.224 0.000 0.787 183 L CB -0.477 41.656 42.059 0.123 0.000 0.957 183 L HN 0.201 nan 8.230 nan 0.000 0.459 184 S N -1.033 114.790 115.700 0.204 0.000 2.370 184 S HA -0.312 4.132 4.470 -0.044 0.000 0.226 184 S C 1.809 176.564 174.600 0.259 0.000 1.033 184 S CA 1.384 59.698 58.200 0.190 0.000 1.011 184 S CB -1.650 61.643 63.200 0.154 0.000 0.852 184 S HN 0.658 nan 8.310 nan 0.000 0.457 185 W N 2.531 123.930 121.300 0.166 0.000 2.308 185 W HA -0.202 4.431 4.660 -0.045 0.000 0.301 185 W C 2.369 179.022 176.519 0.223 0.000 1.220 185 W CA 1.871 59.343 57.345 0.212 0.000 1.240 185 W CB -0.459 29.204 29.460 0.339 0.000 1.142 185 W HN 0.359 nan 8.180 nan 0.000 0.521 186 Q N -0.795 119.178 119.800 0.288 0.000 2.172 186 Q HA -0.202 4.112 4.340 -0.044 0.000 0.200 186 Q C 2.196 178.379 176.000 0.306 0.000 0.964 186 Q CA 1.539 57.485 55.803 0.238 0.000 0.855 186 Q CB -0.315 28.659 28.738 0.393 0.000 0.918 186 Q HN 0.475 nan 8.270 nan 0.000 0.444 187 Q N -0.133 119.794 119.800 0.212 0.000 2.378 187 Q HA -0.007 4.307 4.340 -0.044 0.000 0.205 187 Q C 1.590 177.686 176.000 0.160 0.000 0.954 187 Q CA 0.243 56.175 55.803 0.216 0.000 0.901 187 Q CB 0.202 29.020 28.738 0.134 0.000 0.981 187 Q HN 0.191 nan 8.270 nan 0.000 0.483 188 R N 0.502 121.037 120.500 0.059 0.000 2.316 188 R HA -0.115 4.199 4.340 -0.044 0.000 0.232 188 R C 1.715 178.031 176.300 0.027 0.000 1.137 188 R CA 0.831 56.940 56.100 0.016 0.000 1.012 188 R CB -0.270 29.993 30.300 -0.062 0.000 0.859 188 R HN 0.370 nan 8.270 nan 0.000 0.474 189 L N -0.461 120.787 121.223 0.041 0.000 2.418 189 L HA 0.028 4.342 4.340 -0.044 0.000 0.218 189 L C 1.538 178.624 176.870 0.361 0.000 1.125 189 L CA 0.609 55.462 54.840 0.022 0.000 0.835 189 L CB -0.648 41.248 42.059 -0.273 0.000 0.953 189 L HN 0.337 nan 8.230 nan 0.000 0.454 190 G N 2.038 111.055 108.800 0.361 0.000 2.583 190 G HA2 -0.437 3.497 3.960 -0.044 0.000 0.292 190 G HA3 -0.437 3.497 3.960 -0.044 0.000 0.292 190 G C 0.347 175.482 174.900 0.392 0.000 1.203 190 G CA 0.503 45.799 45.100 0.326 0.000 0.987 190 G HN 0.527 nan 8.290 nan 0.000 0.554 191 D N -0.113 120.463 120.400 0.293 0.000 2.319 191 D HA 0.114 4.728 4.640 -0.044 0.000 0.230 191 D C 1.482 177.953 176.300 0.286 0.000 1.094 191 D CA 0.801 54.958 54.000 0.261 0.000 0.856 191 D CB -0.469 40.424 40.800 0.154 0.000 0.915 191 D HN 0.579 nan 8.370 nan 0.000 0.517 192 W N 0.342 121.718 121.300 0.125 0.000 2.341 192 W HA -0.120 4.512 4.660 -0.046 0.000 0.283 192 W C 0.766 177.269 176.519 -0.027 0.000 1.215 192 W CA 0.949 58.316 57.345 0.038 0.000 1.211 192 W CB -0.401 29.102 29.460 0.071 0.000 1.131 192 W HN 0.072 nan 8.180 nan 0.000 0.552 193 W N -0.276 121.111 121.300 0.144 0.000 2.699 193 W HA -0.013 4.623 4.660 -0.040 0.000 0.249 193 W C 1.906 178.297 176.519 -0.213 0.000 1.280 193 W CA 1.018 58.297 57.345 -0.109 0.000 1.345 193 W CB -0.285 29.201 29.460 0.044 0.000 1.128 193 W HN -0.045 nan 8.180 nan 0.000 0.642 194 Q N -1.126 118.712 119.800 0.064 0.000 2.189 194 Q HA 0.058 4.372 4.340 -0.044 0.000 0.223 194 Q C 0.242 176.195 176.000 -0.078 0.000 0.828 194 Q CA -0.135 55.670 55.803 0.003 0.000 0.967 194 Q CB 0.518 29.285 28.738 0.050 0.000 1.139 194 Q HN -0.061 nan 8.270 nan 0.000 0.497 195 D N 0.932 121.246 120.400 -0.143 0.000 2.398 195 D HA -0.037 4.576 4.640 -0.044 0.000 0.247 195 D C 0.275 176.436 176.300 -0.232 0.000 1.227 195 D CA 0.249 54.153 54.000 -0.160 0.000 0.980 195 D CB 0.763 41.482 40.800 -0.134 0.000 1.106 195 D HN 0.160 nan 8.370 nan 0.000 0.493 196 D N -0.266 120.032 120.400 -0.171 0.000 2.513 196 D HA 0.093 4.707 4.640 -0.044 0.000 0.222 196 D C -0.337 175.872 176.300 -0.152 0.000 1.210 196 D CA -0.204 53.694 54.000 -0.169 0.000 0.825 196 D CB 0.298 41.028 40.800 -0.117 0.000 1.037 196 D HN 0.102 nan 8.370 nan 0.000 0.506 197 K N 0.809 121.131 120.400 -0.130 0.000 2.385 197 K HA 0.507 4.800 4.320 -0.044 0.000 0.248 197 K C -2.759 173.841 176.600 -0.001 0.000 0.955 197 K CA -2.038 54.201 56.287 -0.079 0.000 0.816 197 K CB 2.412 34.882 32.500 -0.049 0.000 1.250 197 K HN -0.187 nan 8.250 nan 0.000 0.434 198 P HA -0.140 nan 4.420 nan 0.000 0.271 198 P C 0.133 177.606 177.300 0.289 0.000 1.233 198 P CA -0.149 63.029 63.100 0.129 0.000 0.795 198 P CB 0.477 32.162 31.700 -0.025 0.000 0.936 199 W N 1.365 122.721 121.300 0.094 0.000 2.348 199 W HA -0.084 4.548 4.660 -0.048 0.000 0.324 199 W C 0.194 176.658 176.519 -0.092 0.000 1.209 199 W CA 1.006 58.248 57.345 -0.172 0.000 1.275 199 W CB -0.509 28.651 29.460 -0.500 0.000 1.175 199 W HN 0.125 nan 8.180 nan 0.000 0.461 200 L N 2.350 123.650 121.223 0.128 0.000 2.275 200 L HA 0.327 4.640 4.340 -0.044 0.000 0.288 200 L C -0.062 176.837 176.870 0.049 0.000 1.046 200 L CA -0.269 54.588 54.840 0.028 0.000 0.805 200 L CB 1.228 43.343 42.059 0.094 0.000 1.193 200 L HN -0.071 nan 8.230 nan 0.000 0.426 201 R N 4.827 125.331 120.500 0.006 0.000 2.369 201 R HA 0.262 4.575 4.340 -0.044 0.000 0.310 201 R C -0.689 175.632 176.300 0.035 0.000 1.141 201 R CA -0.227 55.887 56.100 0.023 0.000 1.116 201 R CB 0.447 30.742 30.300 -0.009 0.000 1.135 201 R HN 0.596 nan 8.270 nan 0.000 0.529 202 E N 2.359 122.598 120.200 0.064 0.000 2.101 202 E HA 0.367 4.691 4.350 -0.044 0.000 0.260 202 E C -0.907 175.726 176.600 0.054 0.000 0.897 202 E CA -0.408 56.029 56.400 0.061 0.000 0.744 202 E CB 1.218 30.975 29.700 0.095 0.000 1.140 202 E HN 0.666 nan 8.360 nan 0.000 0.419 203 A N 5.707 128.553 122.820 0.044 0.000 3.234 203 A HA 0.312 4.605 4.320 -0.044 0.000 0.247 203 A C -2.342 175.263 177.584 0.035 0.000 0.938 203 A CA -0.919 51.145 52.037 0.045 0.000 1.039 203 A CB 0.129 19.160 19.000 0.052 0.000 1.197 203 A HN 0.488 nan 8.150 nan 0.000 0.498 204 P HA 0.186 nan 4.420 nan 0.000 0.267 204 P C -0.390 176.916 177.300 0.011 0.000 1.200 204 P CA 0.255 63.366 63.100 0.018 0.000 0.772 204 P CB 0.654 32.364 31.700 0.018 0.000 0.855 205 R N 1.141 121.641 120.500 -0.000 0.000 2.540 205 R HA 0.564 4.877 4.340 -0.044 0.000 0.287 205 R C -0.534 175.732 176.300 -0.056 0.000 0.980 205 R CA -1.008 55.083 56.100 -0.015 0.000 0.966 205 R CB 0.902 31.203 30.300 0.002 0.000 1.106 205 R HN 0.327 nan 8.270 nan 0.000 0.480 206 L N 2.046 123.191 121.223 -0.130 0.000 2.319 206 L HA 0.422 4.735 4.340 -0.044 0.000 0.281 206 L C -1.043 175.713 176.870 -0.190 0.000 1.005 206 L CA 0.050 54.767 54.840 -0.206 0.000 0.828 206 L CB 1.275 43.092 42.059 -0.405 0.000 1.227 206 L HN 0.734 nan 8.230 nan 0.000 0.415 207 E N 2.727 122.867 120.200 -0.100 0.000 2.381 207 E HA 0.405 4.729 4.350 -0.044 0.000 0.286 207 E C -1.345 175.249 176.600 -0.011 0.000 0.960 207 E CA -0.475 55.899 56.400 -0.044 0.000 0.793 207 E CB 1.474 31.173 29.700 -0.002 0.000 1.225 207 E HN 0.612 nan 8.360 nan 0.000 0.420 208 S N 2.297 118.004 115.700 0.011 0.000 2.593 208 S HA 0.099 4.543 4.470 -0.044 0.000 0.269 208 S C -0.117 174.527 174.600 0.073 0.000 1.334 208 S CA -0.502 57.715 58.200 0.028 0.000 1.015 208 S CB 0.596 63.806 63.200 0.017 0.000 0.912 208 S HN 0.509 nan 8.310 nan 0.000 0.541 209 E N 1.115 121.351 120.200 0.060 0.000 2.319 209 E HA 0.261 4.585 4.350 -0.044 0.000 0.268 209 E C -0.391 176.275 176.600 0.109 0.000 1.050 209 E CA -1.032 55.405 56.400 0.062 0.000 0.878 209 E CB 0.620 30.340 29.700 0.033 0.000 1.066 209 E HN 0.365 nan 8.360 nan 0.000 0.406 210 K N 2.181 122.626 120.400 0.075 0.000 2.504 210 K HA -0.097 4.197 4.320 -0.044 0.000 0.278 210 K C -0.366 176.359 176.600 0.209 0.000 1.025 210 K CA 0.206 56.534 56.287 0.068 0.000 1.093 210 K CB 0.444 32.896 32.500 -0.081 0.000 0.873 210 K HN 0.477 nan 8.250 nan 0.000 0.483 211 Q N 4.419 124.499 119.800 0.468 0.000 2.281 211 Q HA -0.002 4.311 4.340 -0.044 0.000 0.267 211 Q C 0.725 176.953 176.000 0.380 0.000 1.053 211 Q CA 0.444 56.449 55.803 0.336 0.000 0.905 211 Q CB 0.587 29.484 28.738 0.264 0.000 1.195 211 Q HN 0.507 nan 8.270 nan 0.000 0.398 212 R N 1.470 122.125 120.500 0.257 0.000 2.280 212 R HA -0.099 4.215 4.340 -0.044 0.000 0.207 212 R C 0.168 176.633 176.300 0.276 0.000 1.043 212 R CA 1.026 57.241 56.100 0.192 0.000 1.006 212 R CB 0.306 30.666 30.300 0.100 0.000 0.885 212 R HN 0.537 nan 8.270 nan 0.000 0.467 213 D N -1.002 119.677 120.400 0.465 0.000 2.463 213 D HA -0.099 4.515 4.640 -0.044 0.000 0.224 213 D C 1.085 177.935 176.300 0.916 0.000 1.174 213 D CA -0.451 53.902 54.000 0.589 0.000 0.829 213 D CB -0.626 40.497 40.800 0.539 0.000 0.993 213 D HN 0.271 nan 8.370 nan 0.000 0.497 214 W N 0.297 122.013 121.300 0.693 0.000 2.388 214 W HA -0.169 4.468 4.660 -0.038 0.000 0.294 214 W C 0.284 177.211 176.519 0.679 0.000 1.212 214 W CA 0.363 58.181 57.345 0.787 0.000 1.271 214 W CB -0.138 29.784 29.460 0.770 0.000 1.126 214 W HN -0.109 nan 8.180 nan 0.000 0.535 215 F N 0.280 120.348 119.950 0.198 0.000 2.333 215 F HA -0.144 4.357 4.527 -0.044 0.000 0.300 215 F C 2.142 177.934 175.800 -0.013 0.000 1.083 215 F CA 1.092 59.066 58.000 -0.043 0.000 1.395 215 F CB -1.570 37.461 39.000 0.052 0.000 1.056 215 F HN -0.077 nan 8.300 nan 0.000 0.529 216 F N -1.321 118.702 119.950 0.121 0.000 2.147 216 F HA -0.080 4.420 4.527 -0.045 0.000 0.291 216 F C 1.979 177.673 175.800 -0.177 0.000 1.093 216 F CA 1.199 59.147 58.000 -0.088 0.000 1.263 216 F CB -0.882 38.024 39.000 -0.156 0.000 1.036 216 F HN -0.125 nan 8.300 nan 0.000 0.481 217 W N 2.038 123.307 121.300 -0.051 0.000 2.425 217 W HA -0.061 4.575 4.660 -0.041 0.000 0.277 217 W C 2.425 178.757 176.519 -0.312 0.000 1.231 217 W CA 1.251 58.450 57.345 -0.242 0.000 1.248 217 W CB -0.337 29.203 29.460 0.135 0.000 1.117 217 W HN 0.061 nan 8.180 nan 0.000 0.568 218 R N 0.805 121.033 120.500 -0.454 0.000 2.339 218 R HA -0.046 4.267 4.340 -0.044 0.000 0.199 218 R C 0.945 177.024 176.300 -0.367 0.000 1.018 218 R CA 0.990 56.624 56.100 -0.777 0.000 1.036 218 R CB -0.490 28.819 30.300 -1.652 0.000 0.899 218 R HN 0.269 nan 8.270 nan 0.000 0.473 219 Q N 0.281 119.912 119.800 -0.282 0.000 2.220 219 Q HA 0.201 4.515 4.340 -0.044 0.000 0.205 219 Q C -0.372 175.524 176.000 -0.174 0.000 0.865 219 Q CA -0.076 55.596 55.803 -0.220 0.000 0.960 219 Q CB 0.794 29.373 28.738 -0.263 0.000 1.097 219 Q HN 0.120 nan 8.270 nan 0.000 0.493 220 K N 0.245 120.588 120.400 -0.094 0.000 2.393 220 K HA 0.409 4.702 4.320 -0.044 0.000 0.241 220 K C -0.178 176.224 176.600 -0.329 0.000 1.055 220 K CA -0.817 55.315 56.287 -0.257 0.000 0.951 220 K CB 0.844 33.152 32.500 -0.320 0.000 1.285 220 K HN -0.077 nan 8.250 nan 0.000 0.500 221 R N 0.810 120.924 120.500 -0.643 0.000 2.296 221 R HA 0.247 4.560 4.340 -0.044 0.000 0.327 221 R C 0.049 175.562 176.300 -1.312 0.000 1.137 221 R CA -0.149 55.201 56.100 -1.251 0.000 1.020 221 R CB 0.239 29.706 30.300 -1.388 0.000 1.110 221 R HN 0.623 nan 8.270 nan 0.000 0.499 222 G N 1.317 108.981 108.800 -1.895 0.000 2.410 222 G HA2 0.460 4.394 3.960 -0.044 0.000 0.330 222 G HA3 0.460 4.394 3.960 -0.044 0.000 0.330 222 G C -0.725 173.587 174.900 -0.980 0.000 1.142 222 G CA -0.354 43.388 45.100 -2.263 0.000 0.902 222 G HN 0.275 nan 8.290 nan 0.000 0.491 223 V N 1.013 120.697 119.914 -0.384 0.000 2.555 223 V HA 0.388 4.482 4.120 -0.044 0.000 0.302 223 V C -0.167 176.027 176.094 0.167 0.000 1.038 223 V CA -0.720 61.613 62.300 0.056 0.000 0.887 223 V CB 1.817 33.719 31.823 0.132 0.000 0.991 223 V HN 0.518 nan 8.190 nan 0.000 0.434 224 V N 5.489 125.593 119.914 0.318 0.000 2.350 224 V HA 0.372 4.465 4.120 -0.044 0.000 0.276 224 V C -0.013 176.217 176.094 0.225 0.000 1.028 224 V CA -0.450 62.057 62.300 0.345 0.000 0.860 224 V CB 1.488 33.589 31.823 0.462 0.000 0.990 224 V HN 0.616 nan 8.190 nan 0.000 0.453 225 V N 4.376 124.399 119.914 0.181 0.000 2.427 225 V HA 0.790 4.884 4.120 -0.044 0.000 0.286 225 V C 0.436 176.604 176.094 0.124 0.000 1.034 225 V CA -0.366 62.027 62.300 0.154 0.000 0.893 225 V CB 1.627 33.561 31.823 0.184 0.000 0.982 225 V HN 0.958 nan 8.190 nan 0.000 0.452 226 A N 3.549 126.430 122.820 0.103 0.000 2.330 226 A HA 0.914 5.208 4.320 -0.044 0.000 0.313 226 A C 0.219 177.833 177.584 0.050 0.000 1.124 226 A CA 0.081 52.161 52.037 0.072 0.000 0.774 226 A CB 1.487 20.533 19.000 0.077 0.000 1.198 226 A HN 1.003 nan 8.150 nan 0.000 0.465 227 G N 0.491 109.309 108.800 0.031 0.000 3.119 227 G HA2 0.501 4.434 3.960 -0.044 0.000 0.206 227 G HA3 0.501 4.434 3.960 -0.044 0.000 0.206 227 G C -0.199 174.702 174.900 0.002 0.000 1.313 227 G CA -0.885 44.225 45.100 0.017 0.000 1.010 227 G HN 0.799 nan 8.290 nan 0.000 0.578 228 R N 0.665 121.162 120.500 -0.004 0.000 2.473 228 R HA 0.175 4.489 4.340 -0.044 0.000 0.315 228 R C -0.033 176.261 176.300 -0.010 0.000 0.972 228 R CA 0.773 56.868 56.100 -0.009 0.000 1.047 228 R CB -0.536 29.763 30.300 -0.001 0.000 0.932 228 R HN 0.581 nan 8.270 nan 0.000 0.411 229 M N 0.890 120.480 119.600 -0.016 0.000 3.079 229 M HA 0.361 4.815 4.480 -0.044 0.000 0.277 229 M C -0.452 175.837 176.300 -0.018 0.000 1.317 229 M CA -1.067 54.224 55.300 -0.014 0.000 0.793 229 M CB 1.422 34.011 32.600 -0.018 0.000 1.690 229 M HN 0.416 nan 8.290 nan 0.000 0.451 230 S N 0.508 116.202 115.700 -0.009 0.000 2.614 230 S HA 0.598 5.042 4.470 -0.044 0.000 0.265 230 S C 1.050 175.629 174.600 -0.035 0.000 1.303 230 S CA -0.069 58.122 58.200 -0.015 0.000 1.000 230 S CB 1.296 64.500 63.200 0.007 0.000 0.935 230 S HN 0.930 nan 8.310 nan 0.000 0.551 231 A N 1.531 124.315 122.820 -0.060 0.000 1.917 231 A HA -0.122 4.171 4.320 -0.044 0.000 0.219 231 A C 2.181 179.753 177.584 -0.020 0.000 1.182 231 A CA 1.706 53.709 52.037 -0.056 0.000 0.633 231 A CB -1.074 17.874 19.000 -0.087 0.000 0.819 231 A HN 0.902 nan 8.150 nan 0.000 0.448 232 E N 0.021 120.215 120.200 -0.010 0.000 2.118 232 E HA -0.213 4.111 4.350 -0.044 0.000 0.195 232 E C 1.896 178.500 176.600 0.007 0.000 0.992 232 E CA 1.480 57.882 56.400 0.003 0.000 0.804 232 E CB -0.425 29.280 29.700 0.007 0.000 0.741 232 E HN 0.797 nan 8.360 nan 0.000 0.458 233 E N 0.006 120.207 120.200 0.001 0.000 2.077 233 E HA -0.123 4.201 4.350 -0.044 0.000 0.193 233 E C 2.177 178.782 176.600 0.007 0.000 0.989 233 E CA 0.942 57.342 56.400 -0.000 0.000 0.800 233 E CB -0.289 29.407 29.700 -0.007 0.000 0.746 233 E HN 0.316 nan 8.360 nan 0.000 0.452 234 G N 1.535 110.339 108.800 0.007 0.000 2.442 234 G HA2 -0.288 3.646 3.960 -0.044 0.000 0.219 234 G HA3 -0.288 3.646 3.960 -0.044 0.000 0.219 234 G C 1.463 176.385 174.900 0.037 0.000 1.141 234 G CA 0.771 45.883 45.100 0.020 0.000 0.763 234 G HN 0.128 nan 8.290 nan 0.000 0.554 235 K N 0.187 120.607 120.400 0.032 0.000 2.076 235 K HA 0.044 4.337 4.320 -0.044 0.000 0.204 235 K C 2.548 179.184 176.600 0.061 0.000 1.051 235 K CA 0.866 57.179 56.287 0.044 0.000 0.949 235 K CB -0.113 32.407 32.500 0.033 0.000 0.726 235 K HN 0.160 nan 8.250 nan 0.000 0.443 236 K N 0.751 121.181 120.400 0.051 0.000 2.103 236 K HA -0.112 4.182 4.320 -0.044 0.000 0.207 236 K C 2.032 178.695 176.600 0.105 0.000 1.048 236 K CA 1.091 57.416 56.287 0.064 0.000 0.930 236 K CB -0.071 32.447 32.500 0.030 0.000 0.716 236 K HN -0.065 nan 8.250 nan 0.000 0.444 237 V N 1.192 121.155 119.914 0.082 0.000 2.295 237 V HA -0.264 3.829 4.120 -0.044 0.000 0.246 237 V C 2.330 178.562 176.094 0.230 0.000 1.049 237 V CA 2.037 64.427 62.300 0.150 0.000 1.024 237 V CB -0.692 31.188 31.823 0.094 0.000 0.648 237 V HN 0.364 nan 8.190 nan 0.000 0.447 238 A N -0.235 122.675 122.820 0.150 0.000 1.908 238 A HA -0.166 4.128 4.320 -0.044 0.000 0.218 238 A C 2.241 179.905 177.584 0.134 0.000 1.181 238 A CA 1.671 53.787 52.037 0.131 0.000 0.627 238 A CB -0.555 18.496 19.000 0.085 0.000 0.818 238 A HN 0.378 nan 8.150 nan 0.000 0.445 239 L N -2.020 119.284 121.223 0.135 0.000 1.944 239 L HA -0.228 4.086 4.340 -0.044 0.000 0.218 239 L C 2.374 179.356 176.870 0.187 0.000 1.075 239 L CA 2.578 57.497 54.840 0.132 0.000 0.767 239 L CB -1.433 40.702 42.059 0.127 0.000 0.890 239 L HN 0.758 nan 8.230 nan 0.000 0.434 240 W N 0.409 121.728 121.300 0.033 0.000 2.290 240 W HA -0.328 4.309 4.660 -0.040 0.000 0.311 240 W C 2.507 179.029 176.519 0.005 0.000 1.238 240 W CA 2.907 60.272 57.345 0.033 0.000 1.255 240 W CB -0.223 29.288 29.460 0.085 0.000 1.145 240 W HN 0.293 nan 8.180 nan 0.000 0.506 241 A N -0.784 122.184 122.820 0.248 0.000 1.968 241 A HA -0.214 4.079 4.320 -0.044 0.000 0.217 241 A C 1.994 179.567 177.584 -0.017 0.000 1.169 241 A CA 1.706 53.808 52.037 0.109 0.000 0.638 241 A CB -0.948 18.195 19.000 0.238 0.000 0.812 241 A HN 0.569 nan 8.150 nan 0.000 0.446 242 Q N -0.486 119.319 119.800 0.008 0.000 2.020 242 Q HA -0.140 4.174 4.340 -0.044 0.000 0.198 242 Q C 1.919 177.865 176.000 -0.089 0.000 0.974 242 Q CA 2.038 57.824 55.803 -0.027 0.000 0.829 242 Q CB -0.530 28.207 28.738 -0.002 0.000 0.894 242 Q HN 0.487 nan 8.270 nan 0.000 0.433 243 T N 2.069 116.563 114.554 -0.099 0.000 2.649 243 T HA -0.210 4.114 4.350 -0.044 0.000 0.268 243 T C 1.754 176.287 174.700 -0.278 0.000 1.036 243 T CA 1.882 63.886 62.100 -0.160 0.000 1.157 243 T CB -0.269 68.518 68.868 -0.136 0.000 0.861 243 T HN 0.285 nan 8.240 nan 0.000 0.445 244 L N -0.039 120.915 121.223 -0.448 0.000 2.418 244 L HA 0.253 4.566 4.340 -0.044 0.000 0.218 244 L C 2.063 178.700 176.870 -0.389 0.000 1.125 244 L CA 0.598 55.033 54.840 -0.675 0.000 0.835 244 L CB -0.371 40.847 42.059 -1.401 0.000 0.953 244 L HN 0.518 nan 8.230 nan 0.000 0.454 245 G N -1.834 106.871 108.800 -0.159 0.000 2.143 245 G HA2 -0.232 3.701 3.960 -0.044 0.000 0.249 245 G HA3 -0.232 3.701 3.960 -0.044 0.000 0.249 245 G C -0.263 174.798 174.900 0.270 0.000 0.981 245 G CA -0.402 44.726 45.100 0.046 0.000 0.665 245 G HN 0.116 nan 8.290 nan 0.000 0.528 246 W N 0.131 121.425 121.300 -0.010 0.000 2.516 246 W HA 0.641 5.274 4.660 -0.046 0.000 0.343 246 W C -2.122 174.354 176.519 -0.071 0.000 1.094 246 W CA -3.015 54.362 57.345 0.054 0.000 1.250 246 W CB 0.332 29.881 29.460 0.149 0.000 1.308 246 W HN -0.023 nan 8.180 nan 0.000 0.588 247 P HA 0.171 nan 4.420 nan 0.000 0.282 247 P C -0.886 176.484 177.300 0.117 0.000 1.249 247 P CA -0.443 62.643 63.100 -0.022 0.000 0.806 247 P CB 0.906 32.496 31.700 -0.184 0.000 0.984 248 L N 4.213 125.500 121.223 0.107 0.000 2.294 248 L HA 0.400 4.714 4.340 -0.044 0.000 0.283 248 L C -1.199 175.758 176.870 0.146 0.000 1.015 248 L CA -0.949 53.982 54.840 0.152 0.000 0.831 248 L CB -0.056 42.090 42.059 0.144 0.000 1.217 248 L HN 0.120 nan 8.230 nan 0.000 0.420 249 I N 5.150 125.805 120.570 0.141 0.000 2.337 249 I HA 0.502 4.646 4.170 -0.044 0.000 0.291 249 I C 1.006 177.176 176.117 0.089 0.000 1.046 249 I CA -0.426 60.945 61.300 0.118 0.000 1.324 249 I CB 0.718 38.732 38.000 0.024 0.000 1.409 249 I HN 0.716 nan 8.210 nan 0.000 0.494 250 G N 4.265 113.114 108.800 0.081 0.000 2.502 250 G HA2 0.468 4.402 3.960 -0.044 0.000 0.311 250 G HA3 0.468 4.402 3.960 -0.044 0.000 0.311 250 G C -0.934 173.988 174.900 0.036 0.000 1.270 250 G CA -0.445 44.694 45.100 0.065 0.000 0.948 250 G HN 0.556 nan 8.290 nan 0.000 0.487 251 D N 1.208 121.623 120.400 0.024 0.000 2.294 251 D HA 0.269 4.883 4.640 -0.044 0.000 0.250 251 D C 1.773 178.073 176.300 -0.001 0.000 1.058 251 D CA -0.603 53.399 54.000 0.004 0.000 0.950 251 D CB 1.745 42.549 40.800 0.006 0.000 1.158 251 D HN 0.178 nan 8.370 nan 0.000 0.453 252 V N 1.126 121.033 119.914 -0.012 0.000 2.944 252 V HA -0.141 3.953 4.120 -0.044 0.000 0.265 252 V C 1.471 177.552 176.094 -0.022 0.000 1.125 252 V CA 1.012 63.303 62.300 -0.016 0.000 1.145 252 V CB -0.891 30.915 31.823 -0.028 0.000 0.725 252 V HN 0.483 nan 8.190 nan 0.000 0.510 253 L N 0.722 121.931 121.223 -0.024 0.000 2.693 253 L HA 0.247 4.561 4.340 -0.044 0.000 0.235 253 L C 2.204 179.054 176.870 -0.033 0.000 1.127 253 L CA 1.228 56.046 54.840 -0.037 0.000 0.914 253 L CB 0.069 42.109 42.059 -0.032 0.000 1.193 253 L HN 0.530 nan 8.230 nan 0.000 0.502 254 S N -1.479 114.213 115.700 -0.014 0.000 2.483 254 S HA -0.016 4.428 4.470 -0.044 0.000 0.221 254 S C 0.845 175.443 174.600 -0.003 0.000 1.030 254 S CA 0.036 58.235 58.200 -0.002 0.000 0.925 254 S CB -0.079 63.133 63.200 0.019 0.000 0.795 254 S HN 0.414 nan 8.310 nan 0.000 0.511 255 Q N 1.027 120.826 119.800 -0.001 0.000 2.475 255 Q HA -0.148 4.166 4.340 -0.044 0.000 0.280 255 Q C 0.638 176.652 176.000 0.024 0.000 1.234 255 Q CA 1.052 56.860 55.803 0.010 0.000 0.873 255 Q CB -2.845 25.884 28.738 -0.014 0.000 1.256 255 Q HN 0.865 nan 8.270 nan 0.000 0.475 256 T N -5.135 109.438 114.554 0.032 0.000 3.060 256 T HA 0.423 4.747 4.350 -0.044 0.000 0.249 256 T C 1.573 176.298 174.700 0.042 0.000 1.079 256 T CA 0.531 62.658 62.100 0.045 0.000 1.013 256 T CB 0.857 69.761 68.868 0.060 0.000 0.975 256 T HN 1.002 nan 8.240 nan 0.000 0.518 257 G N 1.479 110.299 108.800 0.033 0.000 2.241 257 G HA2 -0.327 3.606 3.960 -0.044 0.000 0.244 257 G HA3 -0.327 3.606 3.960 -0.044 0.000 0.244 257 G C 0.320 175.236 174.900 0.027 0.000 0.998 257 G CA 0.081 45.196 45.100 0.025 0.000 0.621 257 G HN 0.617 nan 8.290 nan 0.000 0.519 258 Q N -0.967 118.858 119.800 0.041 0.000 2.463 258 Q HA -0.177 4.136 4.340 -0.044 0.000 0.299 258 Q C -0.633 175.398 176.000 0.052 0.000 1.353 258 Q CA 0.712 56.546 55.803 0.052 0.000 0.828 258 Q CB -1.005 27.760 28.738 0.046 0.000 1.157 258 Q HN 0.598 nan 8.270 nan 0.000 0.436 259 P HA -0.202 nan 4.420 nan 0.000 0.217 259 P C 0.384 177.691 177.300 0.011 0.000 1.148 259 P CA 1.380 64.491 63.100 0.018 0.000 0.834 259 P CB 0.102 31.809 31.700 0.011 0.000 0.783 260 L N 1.366 122.620 121.223 0.052 0.000 2.828 260 L HA 0.341 4.654 4.340 -0.044 0.000 0.233 260 L C -2.002 175.037 176.870 0.282 0.000 1.250 260 L CA -2.144 52.741 54.840 0.075 0.000 1.125 260 L CB 0.009 42.092 42.059 0.041 0.000 1.432 260 L HN -0.078 nan 8.230 nan 0.000 0.444 261 P HA -0.069 nan 4.420 nan 0.000 0.269 261 P C 0.650 178.131 177.300 0.301 0.000 1.211 261 P CA 0.077 63.287 63.100 0.182 0.000 0.781 261 P CB 0.842 32.601 31.700 0.099 0.000 0.877 262 C N -0.641 118.762 119.300 0.171 0.000 4.326 262 C HA -0.178 4.256 4.460 -0.044 0.000 0.284 262 C C 2.318 177.243 174.990 -0.108 0.000 1.419 262 C CA 0.481 59.564 59.018 0.109 0.000 1.920 262 C CB -3.055 24.790 27.740 0.175 0.000 1.306 262 C HN 0.768 nan 8.230 nan 0.000 0.786 263 A N 0.469 123.125 122.820 -0.273 0.000 1.969 263 A HA -0.358 3.936 4.320 -0.044 0.000 0.223 263 A C 1.680 178.687 177.584 -0.962 0.000 1.218 263 A CA 2.924 54.188 52.037 -1.288 0.000 0.667 263 A CB -0.608 17.963 19.000 -0.714 0.000 0.826 263 A HN 0.744 nan 8.150 nan 0.000 0.472 264 D N -1.056 119.075 120.400 -0.448 0.000 2.263 264 D HA -0.051 4.563 4.640 -0.044 0.000 0.208 264 D C 1.720 177.865 176.300 -0.259 0.000 0.971 264 D CA 1.030 54.847 54.000 -0.306 0.000 0.867 264 D CB -0.094 40.606 40.800 -0.166 0.000 0.929 264 D HN 0.539 nan 8.370 nan 0.000 0.492 265 L N -0.314 120.771 121.223 -0.231 0.000 2.130 265 L HA 0.063 4.377 4.340 -0.044 0.000 0.200 265 L C 2.338 179.178 176.870 -0.049 0.000 1.075 265 L CA 0.481 55.265 54.840 -0.094 0.000 0.768 265 L CB -0.619 41.438 42.059 -0.004 0.000 0.933 265 L HN 0.328 nan 8.230 nan 0.000 0.451 266 W N -0.209 121.053 121.300 -0.063 0.000 2.678 266 W HA -0.001 4.632 4.660 -0.044 0.000 0.256 266 W C 1.509 177.979 176.519 -0.081 0.000 1.280 266 W CA 0.101 57.403 57.345 -0.072 0.000 1.345 266 W CB -0.753 28.659 29.460 -0.081 0.000 1.118 266 W HN 0.116 nan 8.180 nan 0.000 0.629 267 L N 1.806 122.778 121.223 -0.419 0.000 2.349 267 L HA -0.046 4.268 4.340 -0.044 0.000 0.220 267 L C 2.565 179.398 176.870 -0.062 0.000 1.130 267 L CA 1.536 56.188 54.840 -0.313 0.000 0.791 267 L CB -1.012 40.764 42.059 -0.472 0.000 0.918 267 L HN 0.137 nan 8.230 nan 0.000 0.444 268 G N -1.364 107.416 108.800 -0.034 0.000 3.042 268 G HA2 -0.093 3.841 3.960 -0.044 0.000 0.212 268 G HA3 -0.093 3.841 3.960 -0.044 0.000 0.212 268 G C 0.477 175.400 174.900 0.038 0.000 1.166 268 G CA -0.284 44.819 45.100 0.005 0.000 0.767 268 G HN 0.194 nan 8.290 nan 0.000 0.546 269 N N 0.901 119.645 118.700 0.073 0.000 2.434 269 N HA 0.336 5.050 4.740 -0.044 0.000 0.272 269 N C 1.400 176.962 175.510 0.088 0.000 1.040 269 N CA 0.165 53.265 53.050 0.083 0.000 0.956 269 N CB 1.737 40.285 38.487 0.102 0.000 1.108 269 N HN -0.051 nan 8.380 nan 0.000 0.481 270 A N 4.689 127.555 122.820 0.078 0.000 2.024 270 A HA -0.139 4.154 4.320 -0.044 0.000 0.220 270 A C 1.838 179.463 177.584 0.068 0.000 1.164 270 A CA 1.327 53.409 52.037 0.076 0.000 0.643 270 A CB -0.157 18.884 19.000 0.068 0.000 0.806 270 A HN 0.807 nan 8.150 nan 0.000 0.451 271 K N -0.561 119.871 120.400 0.054 0.000 2.362 271 K HA 0.078 4.371 4.320 -0.044 0.000 0.200 271 K C 1.913 178.528 176.600 0.025 0.000 1.046 271 K CA 0.826 57.132 56.287 0.031 0.000 0.952 271 K CB -0.121 32.385 32.500 0.010 0.000 0.753 271 K HN 0.476 nan 8.250 nan 0.000 0.466 272 A N 0.847 123.699 122.820 0.053 0.000 1.973 272 A HA -0.041 4.252 4.320 -0.044 0.000 0.210 272 A C 2.178 179.813 177.584 0.085 0.000 1.200 272 A CA 0.904 52.977 52.037 0.060 0.000 0.707 272 A CB -0.596 18.497 19.000 0.154 0.000 0.862 272 A HN 0.292 nan 8.150 nan 0.000 0.461 273 T N -1.423 113.195 114.554 0.106 0.000 2.665 273 T HA -0.190 4.133 4.350 -0.044 0.000 0.268 273 T C 2.045 176.839 174.700 0.156 0.000 1.035 273 T CA 2.041 64.228 62.100 0.144 0.000 1.151 273 T CB -0.665 68.301 68.868 0.165 0.000 0.862 273 T HN 0.226 nan 8.240 nan 0.000 0.438 274 S N 0.776 116.546 115.700 0.116 0.000 2.402 274 S HA -0.074 4.370 4.470 -0.044 0.000 0.229 274 S C 2.208 176.880 174.600 0.122 0.000 1.021 274 S CA 0.853 59.119 58.200 0.111 0.000 0.974 274 S CB -0.344 62.904 63.200 0.081 0.000 0.800 274 S HN 0.566 nan 8.310 nan 0.000 0.484 275 E N 0.548 120.809 120.200 0.101 0.000 2.107 275 E HA -0.044 4.279 4.350 -0.044 0.000 0.191 275 E C 1.956 178.701 176.600 0.242 0.000 0.982 275 E CA 0.732 57.212 56.400 0.134 0.000 0.809 275 E CB -0.158 29.545 29.700 0.005 0.000 0.756 275 E HN 0.454 nan 8.360 nan 0.000 0.459 276 L N 0.797 122.134 121.223 0.190 0.000 2.201 276 L HA -0.188 4.126 4.340 -0.044 0.000 0.212 276 L C 2.430 179.505 176.870 0.342 0.000 1.105 276 L CA 0.889 55.894 54.840 0.275 0.000 0.775 276 L CB -0.272 41.876 42.059 0.147 0.000 0.913 276 L HN 0.118 nan 8.230 nan 0.000 0.440 277 Q N -0.216 119.748 119.800 0.272 0.000 2.297 277 Q HA -0.248 4.065 4.340 -0.044 0.000 0.208 277 Q C 1.922 178.004 176.000 0.137 0.000 0.981 277 Q CA 1.206 57.131 55.803 0.204 0.000 0.876 277 Q CB -0.044 28.788 28.738 0.156 0.000 0.921 277 Q HN 0.600 nan 8.270 nan 0.000 0.446 278 Q N -0.363 119.525 119.800 0.148 0.000 2.472 278 Q HA 0.112 4.426 4.340 -0.044 0.000 0.208 278 Q C 0.012 175.919 176.000 -0.156 0.000 0.958 278 Q CA -0.031 55.788 55.803 0.027 0.000 0.932 278 Q CB 0.325 29.104 28.738 0.068 0.000 1.007 278 Q HN 0.180 nan 8.270 nan 0.000 0.508 279 A N 1.011 123.791 122.820 -0.066 0.000 2.451 279 A HA 0.044 4.338 4.320 -0.044 0.000 0.266 279 A C 0.548 178.027 177.584 -0.175 0.000 1.119 279 A CA -0.136 51.781 52.037 -0.200 0.000 0.786 279 A CB 0.414 19.465 19.000 0.086 0.000 1.061 279 A HN 0.285 nan 8.150 nan 0.000 0.503 280 Q N 1.755 121.383 119.800 -0.287 0.000 2.373 280 Q HA 0.294 4.607 4.340 -0.044 0.000 0.210 280 Q C 0.113 176.058 176.000 -0.092 0.000 0.913 280 Q CA 0.496 56.226 55.803 -0.123 0.000 0.911 280 Q CB 0.520 29.202 28.738 -0.093 0.000 1.040 280 Q HN 0.817 nan 8.270 nan 0.000 0.521 281 I N 0.232 120.638 120.570 -0.274 0.000 2.689 281 I HA 0.352 4.496 4.170 -0.044 0.000 0.299 281 I C -1.492 174.359 176.117 -0.443 0.000 1.059 281 I CA -1.158 59.892 61.300 -0.417 0.000 1.055 281 I CB 2.091 39.786 38.000 -0.508 0.000 1.243 281 I HN -0.306 nan 8.210 nan 0.000 0.425 282 V N 7.024 126.659 119.914 -0.464 0.000 2.495 282 V HA 0.486 4.580 4.120 -0.044 0.000 0.298 282 V C -0.622 175.183 176.094 -0.482 0.000 1.031 282 V CA -0.709 61.323 62.300 -0.446 0.000 0.871 282 V CB 1.661 33.148 31.823 -0.559 0.000 0.988 282 V HN 0.460 nan 8.190 nan 0.000 0.432 283 V N 4.728 124.539 119.914 -0.172 0.000 2.334 283 V HA 0.432 4.525 4.120 -0.044 0.000 0.281 283 V C -0.122 175.975 176.094 0.004 0.000 1.016 283 V CA -0.417 61.877 62.300 -0.010 0.000 0.832 283 V CB 1.378 33.388 31.823 0.313 0.000 0.999 283 V HN 0.954 nan 8.190 nan 0.000 0.439 284 Q N 5.154 124.912 119.800 -0.069 0.000 2.307 284 Q HA 0.534 4.848 4.340 -0.044 0.000 0.262 284 Q C -1.760 174.218 176.000 -0.037 0.000 0.961 284 Q CA -0.735 55.075 55.803 0.011 0.000 0.882 284 Q CB 1.606 30.404 28.738 0.100 0.000 1.264 284 Q HN 0.541 nan 8.270 nan 0.000 0.446 285 L N 3.886 125.090 121.223 -0.032 0.000 2.305 285 L HA 0.633 4.947 4.340 -0.044 0.000 0.284 285 L C 0.664 177.498 176.870 -0.059 0.000 1.013 285 L CA 0.391 55.165 54.840 -0.111 0.000 0.819 285 L CB 0.446 42.438 42.059 -0.111 0.000 1.227 285 L HN 1.001 nan 8.230 nan 0.000 0.417 286 G N 3.306 112.061 108.800 -0.074 0.000 2.828 286 G HA2 -0.071 3.862 3.960 -0.044 0.000 0.463 286 G HA3 -0.071 3.862 3.960 -0.044 0.000 0.463 286 G C -0.266 174.627 174.900 -0.012 0.000 1.394 286 G CA -0.096 44.982 45.100 -0.037 0.000 0.862 286 G HN 1.014 nan 8.290 nan 0.000 0.540 287 S N -2.642 113.055 115.700 -0.004 0.000 2.880 287 S HA 0.820 5.264 4.470 -0.044 0.000 0.308 287 S C 0.500 175.102 174.600 0.004 0.000 1.195 287 S CA 0.667 58.871 58.200 0.005 0.000 0.866 287 S CB 1.176 64.374 63.200 -0.002 0.000 1.254 287 S HN 2.533 nan 8.310 nan 0.000 0.571 288 S N 0.550 116.250 115.700 0.001 0.000 3.706 288 S HA -0.096 4.348 4.470 -0.044 0.000 0.363 288 S C -0.064 174.535 174.600 -0.002 0.000 0.999 288 S CA 0.035 58.232 58.200 -0.004 0.000 1.143 288 S CB -1.866 61.330 63.200 -0.007 0.000 0.902 288 S HN 0.716 nan 8.310 nan 0.000 0.476 289 L N 1.420 122.649 121.223 0.009 0.000 2.559 289 L HA 0.093 4.406 4.340 -0.044 0.000 0.282 289 L C 1.860 178.728 176.870 -0.004 0.000 1.232 289 L CA 1.190 56.037 54.840 0.013 0.000 0.885 289 L CB -0.339 41.742 42.059 0.035 0.000 1.131 289 L HN 0.516 nan 8.230 nan 0.000 0.498 290 T N 1.412 115.959 114.554 -0.012 0.000 2.904 290 T HA 0.078 4.401 4.350 -0.044 0.000 0.243 290 T C 0.944 175.628 174.700 -0.027 0.000 1.024 290 T CA 0.426 62.511 62.100 -0.024 0.000 1.158 290 T CB -0.309 68.540 68.868 -0.031 0.000 0.867 290 T HN 0.771 nan 8.240 nan 0.000 0.429 291 G N 1.433 110.212 108.800 -0.034 0.000 2.391 291 G HA2 0.069 4.002 3.960 -0.044 0.000 0.234 291 G HA3 0.069 4.002 3.960 -0.044 0.000 0.234 291 G C 0.735 175.614 174.900 -0.035 0.000 1.284 291 G CA -0.099 44.973 45.100 -0.047 0.000 0.873 291 G HN 0.397 nan 8.290 nan 0.000 0.549 292 K N 1.182 121.560 120.400 -0.037 0.000 2.097 292 K HA -0.074 4.219 4.320 -0.044 0.000 0.205 292 K C 2.454 179.043 176.600 -0.018 0.000 1.050 292 K CA 0.903 57.175 56.287 -0.025 0.000 0.938 292 K CB -0.032 32.454 32.500 -0.023 0.000 0.718 292 K HN 0.373 nan 8.250 nan 0.000 0.442 293 R N 0.562 121.039 120.500 -0.039 0.000 2.092 293 R HA -0.081 4.233 4.340 -0.044 0.000 0.231 293 R C 2.279 178.594 176.300 0.026 0.000 1.119 293 R CA 0.795 56.879 56.100 -0.026 0.000 0.970 293 R CB -0.863 29.380 30.300 -0.096 0.000 0.864 293 R HN 0.279 nan 8.270 nan 0.000 0.440 294 L N 0.886 122.105 121.223 -0.006 0.000 2.156 294 L HA -0.000 4.314 4.340 -0.044 0.000 0.208 294 L C 2.033 178.980 176.870 0.129 0.000 1.095 294 L CA 1.239 56.124 54.840 0.074 0.000 0.770 294 L CB -0.383 41.682 42.059 0.011 0.000 0.914 294 L HN 0.012 nan 8.230 nan 0.000 0.439 295 L N -0.730 120.525 121.223 0.053 0.000 2.012 295 L HA -0.278 4.036 4.340 -0.044 0.000 0.210 295 L C 2.640 179.527 176.870 0.028 0.000 1.073 295 L CA 1.835 56.694 54.840 0.032 0.000 0.748 295 L CB -0.741 41.318 42.059 -0.000 0.000 0.891 295 L HN 0.372 nan 8.230 nan 0.000 0.431 296 Q N -1.444 118.383 119.800 0.044 0.000 2.079 296 Q HA -0.244 4.070 4.340 -0.044 0.000 0.200 296 Q C 2.025 178.049 176.000 0.040 0.000 0.974 296 Q CA 1.778 57.597 55.803 0.028 0.000 0.840 296 Q CB -0.396 28.365 28.738 0.039 0.000 0.898 296 Q HN 0.549 nan 8.270 nan 0.000 0.430 297 W N 2.160 123.449 121.300 -0.019 0.000 2.338 297 W HA -0.228 4.406 4.660 -0.044 0.000 0.304 297 W C 2.237 178.780 176.519 0.040 0.000 1.212 297 W CA 1.712 59.059 57.345 0.004 0.000 1.264 297 W CB -0.186 29.264 29.460 -0.017 0.000 1.142 297 W HN 0.095 nan 8.180 nan 0.000 0.512 298 Q N 0.349 120.012 119.800 -0.228 0.000 2.124 298 Q HA -0.166 4.148 4.340 -0.044 0.000 0.202 298 Q C 2.214 178.041 176.000 -0.290 0.000 0.977 298 Q CA 1.945 57.533 55.803 -0.358 0.000 0.850 298 Q CB -0.627 28.102 28.738 -0.014 0.000 0.901 298 Q HN 0.366 nan 8.270 nan 0.000 0.429 299 A N 0.425 123.127 122.820 -0.196 0.000 1.972 299 A HA -0.132 4.162 4.320 -0.044 0.000 0.219 299 A C 2.010 179.479 177.584 -0.192 0.000 1.169 299 A CA 1.912 53.844 52.037 -0.174 0.000 0.635 299 A CB -0.289 18.634 19.000 -0.128 0.000 0.810 299 A HN 0.498 nan 8.150 nan 0.000 0.446 300 S N -1.463 114.098 115.700 -0.231 0.000 2.539 300 S HA 0.154 4.598 4.470 -0.044 0.000 0.221 300 S C 0.694 175.177 174.600 -0.195 0.000 0.987 300 S CA -0.010 58.083 58.200 -0.180 0.000 0.929 300 S CB -1.520 61.615 63.200 -0.108 0.000 0.832 300 S HN 0.831 nan 8.310 nan 0.000 0.492 301 C N 1.332 120.421 119.300 -0.351 0.000 2.604 301 C HA 0.646 5.079 4.460 -0.044 0.000 0.396 301 C C 0.416 175.403 174.990 -0.004 0.000 1.282 301 C CA -0.572 58.258 59.018 -0.314 0.000 2.292 301 C CB -0.112 27.184 27.740 -0.740 0.000 2.633 301 C HN 0.527 nan 8.230 nan 0.000 0.620 302 E N 2.044 122.264 120.200 0.033 0.000 4.129 302 E HA 0.285 4.609 4.350 -0.044 0.000 0.222 302 E C -2.079 174.574 176.600 0.088 0.000 1.179 302 E CA -0.954 55.504 56.400 0.097 0.000 1.334 302 E CB 0.538 30.276 29.700 0.062 0.000 1.202 302 E HN 0.731 nan 8.360 nan 0.000 0.428 303 P HA 0.008 nan 4.420 nan 0.000 0.271 303 P C 0.529 177.868 177.300 0.064 0.000 1.244 303 P CA 0.031 63.150 63.100 0.030 0.000 0.793 303 P CB 1.296 32.973 31.700 -0.038 0.000 0.984 304 E N -0.182 120.060 120.200 0.069 0.000 2.077 304 E HA -0.123 4.201 4.350 -0.044 0.000 0.193 304 E C 0.243 176.899 176.600 0.094 0.000 0.989 304 E CA 1.425 57.918 56.400 0.155 0.000 0.800 304 E CB 0.180 30.093 29.700 0.355 0.000 0.746 304 E HN 0.499 nan 8.360 nan 0.000 0.452 305 E N -1.346 118.815 120.200 -0.064 0.000 2.292 305 E HA 0.218 4.542 4.350 -0.044 0.000 0.272 305 E C -1.635 174.924 176.600 -0.068 0.000 0.881 305 E CA -0.717 55.642 56.400 -0.069 0.000 0.754 305 E CB 1.692 31.241 29.700 -0.251 0.000 1.201 305 E HN 0.022 nan 8.360 nan 0.000 0.425 306 Y N 2.225 122.535 120.300 0.016 0.000 2.328 306 Y HA 0.330 4.853 4.550 -0.046 0.000 0.337 306 Y C -1.297 174.760 175.900 0.262 0.000 0.966 306 Y CA -0.608 57.483 58.100 -0.014 0.000 1.136 306 Y CB 0.734 39.079 38.460 -0.192 0.000 1.170 306 Y HN 0.455 nan 8.280 nan 0.000 0.470 307 W N 6.915 128.044 121.300 -0.285 0.000 2.606 307 W HA 0.635 5.275 4.660 -0.034 0.000 0.332 307 W C -1.089 175.347 176.519 -0.138 0.000 1.052 307 W CA -1.552 55.700 57.345 -0.156 0.000 1.223 307 W CB 1.193 30.537 29.460 -0.192 0.000 1.383 307 W HN 0.291 nan 8.180 nan 0.000 0.524 308 I N 3.521 124.147 120.570 0.093 0.000 2.418 308 I HA 0.295 4.439 4.170 -0.044 0.000 0.287 308 I C -0.617 175.377 176.117 -0.204 0.000 1.008 308 I CA -1.175 60.116 61.300 -0.016 0.000 1.104 308 I CB 1.477 39.508 38.000 0.050 0.000 1.264 308 I HN -0.161 nan 8.210 nan 0.000 0.438 309 V N 5.114 124.823 119.914 -0.341 0.000 2.370 309 V HA 0.513 4.606 4.120 -0.044 0.000 0.279 309 V C -0.434 175.482 176.094 -0.297 0.000 1.029 309 V CA -0.112 61.873 62.300 -0.526 0.000 0.870 309 V CB 1.360 32.601 31.823 -0.971 0.000 0.984 309 V HN 0.683 nan 8.190 nan 0.000 0.451 310 D N 2.270 122.544 120.400 -0.211 0.000 2.648 310 D HA 0.177 4.791 4.640 -0.044 0.000 0.244 310 D C -0.754 175.521 176.300 -0.041 0.000 1.244 310 D CA -0.483 53.452 54.000 -0.107 0.000 0.772 310 D CB 2.561 43.319 40.800 -0.069 0.000 1.379 310 D HN 0.445 nan 8.370 nan 0.000 0.428 311 D N 1.476 121.873 120.400 -0.005 0.000 2.663 311 D HA 0.201 4.814 4.640 -0.044 0.000 0.243 311 D C -0.140 176.225 176.300 0.109 0.000 1.218 311 D CA 0.162 54.204 54.000 0.070 0.000 0.846 311 D CB -0.470 40.340 40.800 0.017 0.000 1.014 311 D HN 0.365 nan 8.370 nan 0.000 0.476 312 I N -1.216 119.412 120.570 0.097 0.000 2.918 312 I HA 0.299 4.443 4.170 -0.044 0.000 0.301 312 I C -1.159 175.006 176.117 0.079 0.000 1.312 312 I CA -0.723 60.617 61.300 0.067 0.000 1.007 312 I CB 2.096 40.093 38.000 -0.005 0.000 1.281 312 I HN -0.265 nan 8.210 nan 0.000 0.440 313 E N 3.708 123.962 120.200 0.089 0.000 2.250 313 E HA 0.733 5.056 4.350 -0.044 0.000 0.265 313 E C -0.286 176.327 176.600 0.021 0.000 1.033 313 E CA -0.442 55.990 56.400 0.053 0.000 0.888 313 E CB 1.563 31.300 29.700 0.061 0.000 1.151 313 E HN 1.034 nan 8.360 nan 0.000 0.412 314 G N 0.822 109.627 108.800 0.008 0.000 2.587 314 G HA2 -0.149 3.785 3.960 -0.044 0.000 0.686 314 G HA3 -0.149 3.785 3.960 -0.044 0.000 0.686 314 G C -0.895 174.007 174.900 0.003 0.000 1.236 314 G CA -1.067 44.036 45.100 0.005 0.000 0.820 314 G HN 0.406 nan 8.290 nan 0.000 0.645 315 R N -0.503 120.003 120.500 0.010 0.000 2.643 315 R HA 0.453 4.767 4.340 -0.044 0.000 0.270 315 R C 0.911 177.215 176.300 0.008 0.000 1.061 315 R CA 0.128 56.238 56.100 0.017 0.000 1.107 315 R CB 0.386 30.712 30.300 0.043 0.000 0.999 315 R HN 0.429 nan 8.270 nan 0.000 0.460 316 L N 0.687 121.910 121.223 -0.000 0.000 3.135 316 L HA 0.176 4.490 4.340 -0.044 0.000 0.279 316 L C -0.125 176.722 176.870 -0.038 0.000 1.200 316 L CA -0.109 54.724 54.840 -0.012 0.000 1.016 316 L CB 0.579 42.636 42.059 -0.004 0.000 1.391 316 L HN 0.520 nan 8.230 nan 0.000 0.588 317 D N 2.001 122.362 120.400 -0.065 0.000 2.467 317 D HA 0.186 4.800 4.640 -0.044 0.000 0.220 317 D C -1.483 174.649 176.300 -0.279 0.000 1.103 317 D CA -2.080 51.825 54.000 -0.158 0.000 0.886 317 D CB 1.474 42.181 40.800 -0.156 0.000 1.025 317 D HN -0.053 nan 8.370 nan 0.000 0.514 318 P HA -0.011 nan 4.420 nan 0.000 0.239 318 P C 0.713 177.559 177.300 -0.755 0.000 1.184 318 P CA 0.281 63.140 63.100 -0.402 0.000 0.760 318 P CB 0.375 31.953 31.700 -0.203 0.000 0.884 319 A N -0.516 121.918 122.820 -0.643 0.000 2.147 319 A HA 0.014 4.308 4.320 -0.044 0.000 0.211 319 A C 0.418 177.619 177.584 -0.640 0.000 1.160 319 A CA 0.109 51.772 52.037 -0.623 0.000 0.781 319 A CB -0.915 17.812 19.000 -0.456 0.000 0.842 319 A HN 0.282 nan 8.150 nan 0.000 0.475 320 H N -0.549 118.400 119.070 -0.201 0.000 2.960 320 H HA -0.141 4.387 4.556 -0.046 0.000 0.325 320 H C -0.707 174.528 175.328 -0.155 0.000 1.301 320 H CA 0.802 56.768 56.048 -0.137 0.000 1.190 320 H CB -2.472 27.222 29.762 -0.114 0.000 1.462 320 H HN 0.767 nan 8.280 nan 0.000 0.442 321 H N 0.394 119.421 119.070 -0.073 0.000 2.615 321 H HA 0.266 4.795 4.556 -0.045 0.000 0.363 321 H C 1.219 176.573 175.328 0.044 0.000 1.148 321 H CA -0.386 55.642 56.048 -0.032 0.000 1.401 321 H CB 0.835 30.560 29.762 -0.062 0.000 1.461 321 H HN 0.165 nan 8.280 nan 0.000 0.588 322 R N 1.489 122.103 120.500 0.189 0.000 2.585 322 R HA 0.230 4.543 4.340 -0.044 0.000 0.275 322 R C 0.204 176.625 176.300 0.202 0.000 1.018 322 R CA 1.085 57.280 56.100 0.158 0.000 1.072 322 R CB -0.051 30.333 30.300 0.140 0.000 0.953 322 R HN 1.001 nan 8.270 nan 0.000 0.419 323 G N 2.704 111.601 108.800 0.162 0.000 2.455 323 G HA2 0.145 4.078 3.960 -0.044 0.000 0.223 323 G HA3 0.145 4.078 3.960 -0.044 0.000 0.223 323 G C -1.491 173.437 174.900 0.046 0.000 1.226 323 G CA -0.822 44.389 45.100 0.184 0.000 0.948 323 G HN 0.529 nan 8.290 nan 0.000 0.478 324 R N -0.926 119.553 120.500 -0.035 0.000 2.739 324 R HA 0.761 5.075 4.340 -0.044 0.000 0.271 324 R C -1.309 174.893 176.300 -0.163 0.000 1.010 324 R CA -1.064 54.904 56.100 -0.220 0.000 0.897 324 R CB 2.395 32.318 30.300 -0.628 0.000 1.236 324 R HN 0.504 nan 8.270 nan 0.000 0.466 325 R N 2.051 122.459 120.500 -0.154 0.000 2.468 325 R HA 0.400 4.713 4.340 -0.044 0.000 0.302 325 R C -1.678 174.530 176.300 -0.154 0.000 1.041 325 R CA -0.308 55.725 56.100 -0.112 0.000 0.899 325 R CB 0.598 30.868 30.300 -0.051 0.000 1.167 325 R HN 0.580 nan 8.270 nan 0.000 0.483 326 L N 5.353 126.446 121.223 -0.215 0.000 2.307 326 L HA 0.570 4.884 4.340 -0.044 0.000 0.284 326 L C -0.355 176.414 176.870 -0.168 0.000 1.023 326 L CA -1.087 53.628 54.840 -0.210 0.000 0.810 326 L CB 1.697 43.574 42.059 -0.304 0.000 1.231 326 L HN 0.491 nan 8.230 nan 0.000 0.423 327 I N 3.416 123.935 120.570 -0.086 0.000 2.297 327 I HA 0.651 4.794 4.170 -0.044 0.000 0.291 327 I C 0.146 176.258 176.117 -0.008 0.000 1.033 327 I CA 0.370 61.644 61.300 -0.044 0.000 1.253 327 I CB 1.255 39.231 38.000 -0.039 0.000 1.396 327 I HN 0.702 nan 8.210 nan 0.000 0.476 328 A N 5.259 128.078 122.820 -0.002 0.000 2.599 328 A HA 0.404 4.698 4.320 -0.044 0.000 0.294 328 A C -0.733 176.886 177.584 0.059 0.000 1.055 328 A CA -0.843 51.232 52.037 0.064 0.000 0.683 328 A CB 1.015 20.117 19.000 0.170 0.000 1.278 328 A HN 0.515 nan 8.150 nan 0.000 0.412 329 N N 1.269 120.023 118.700 0.091 0.000 2.359 329 N HA 0.011 4.725 4.740 -0.044 0.000 0.261 329 N C 1.058 176.614 175.510 0.077 0.000 1.267 329 N CA 0.318 53.411 53.050 0.072 0.000 0.864 329 N CB 0.322 38.854 38.487 0.075 0.000 1.063 329 N HN 0.559 nan 8.380 nan 0.000 0.474 330 I N 3.508 124.095 120.570 0.029 0.000 2.179 330 I HA -0.293 3.850 4.170 -0.044 0.000 0.242 330 I C 2.327 178.477 176.117 0.056 0.000 1.088 330 I CA 1.202 62.514 61.300 0.021 0.000 1.357 330 I CB -0.398 37.577 38.000 -0.042 0.000 1.051 330 I HN 0.640 nan 8.210 nan 0.000 0.409 331 A N 0.904 123.742 122.820 0.031 0.000 1.884 331 A HA -0.310 3.983 4.320 -0.044 0.000 0.219 331 A C 2.017 179.628 177.584 0.044 0.000 1.197 331 A CA 2.504 54.556 52.037 0.024 0.000 0.637 331 A CB -0.802 18.212 19.000 0.023 0.000 0.827 331 A HN 0.415 nan 8.150 nan 0.000 0.450 332 D N -2.053 118.391 120.400 0.073 0.000 2.117 332 D HA -0.161 4.453 4.640 -0.044 0.000 0.198 332 D C 1.641 178.003 176.300 0.104 0.000 0.982 332 D CA 1.225 55.269 54.000 0.073 0.000 0.828 332 D CB -0.417 40.431 40.800 0.080 0.000 0.967 332 D HN 0.719 nan 8.370 nan 0.000 0.464 333 W N 1.976 123.257 121.300 -0.032 0.000 2.317 333 W HA -0.177 4.454 4.660 -0.049 0.000 0.318 333 W C 2.285 178.799 176.519 -0.007 0.000 1.227 333 W CA 1.298 58.647 57.345 0.006 0.000 1.269 333 W CB -0.592 28.812 29.460 -0.093 0.000 1.155 333 W HN -0.092 nan 8.180 nan 0.000 0.484 334 L N 0.005 121.249 121.223 0.034 0.000 2.043 334 L HA -0.272 4.041 4.340 -0.044 0.000 0.212 334 L C 2.393 179.192 176.870 -0.119 0.000 1.075 334 L CA 1.904 56.604 54.840 -0.233 0.000 0.752 334 L CB -0.958 40.929 42.059 -0.286 0.000 0.891 334 L HN 0.058 nan 8.230 nan 0.000 0.432 335 E N -0.201 119.963 120.200 -0.059 0.000 2.110 335 E HA -0.246 4.078 4.350 -0.044 0.000 0.193 335 E C 2.025 178.564 176.600 -0.101 0.000 0.988 335 E CA 0.975 57.354 56.400 -0.034 0.000 0.804 335 E CB -0.036 29.655 29.700 -0.015 0.000 0.745 335 E HN 0.259 nan 8.360 nan 0.000 0.458 336 L N -0.113 120.969 121.223 -0.234 0.000 2.552 336 L HA -0.033 4.281 4.340 -0.044 0.000 0.227 336 L C -0.031 176.317 176.870 -0.869 0.000 1.146 336 L CA 1.233 55.805 54.840 -0.447 0.000 0.858 336 L CB 0.141 41.925 42.059 -0.459 0.000 0.969 336 L HN 0.065 nan 8.230 nan 0.000 0.451 337 H N -1.266 117.567 119.070 -0.396 0.000 2.616 337 H HA 0.304 4.832 4.556 -0.047 0.000 0.229 337 H C -2.448 173.037 175.328 0.261 0.000 1.418 337 H CA -1.780 54.038 56.048 -0.383 0.000 1.248 337 H CB -0.137 28.657 29.762 -1.615 0.000 1.822 337 H HN 0.077 nan 8.280 nan 0.000 0.522 338 P HA 0.210 nan 4.420 nan 0.000 0.272 338 P C -0.038 177.566 177.300 0.507 0.000 1.240 338 P CA -0.272 63.117 63.100 0.483 0.000 0.791 338 P CB 1.344 33.194 31.700 0.251 0.000 0.978 339 A N 0.642 123.604 122.820 0.236 0.000 2.282 339 A HA 0.410 4.703 4.320 -0.044 0.000 0.319 339 A C -0.092 177.373 177.584 -0.198 0.000 1.121 339 A CA -0.557 51.375 52.037 -0.175 0.000 0.836 339 A CB 0.448 19.088 19.000 -0.600 0.000 1.146 339 A HN 0.611 nan 8.150 nan 0.000 0.494 340 E N 0.777 120.777 120.200 -0.334 0.000 2.176 340 E HA 0.336 4.660 4.350 -0.044 0.000 0.267 340 E C -0.821 175.611 176.600 -0.279 0.000 0.893 340 E CA -0.756 55.466 56.400 -0.297 0.000 0.761 340 E CB 1.103 30.575 29.700 -0.381 0.000 1.133 340 E HN 0.525 nan 8.360 nan 0.000 0.409 341 K N 3.109 123.390 120.400 -0.197 0.000 2.489 341 K HA 0.029 4.322 4.320 -0.044 0.000 0.278 341 K C -0.507 175.993 176.600 -0.167 0.000 1.000 341 K CA 0.623 56.810 56.287 -0.166 0.000 1.012 341 K CB 0.530 32.963 32.500 -0.112 0.000 0.903 341 K HN 0.467 nan 8.250 nan 0.000 0.485 342 R N 2.121 122.527 120.500 -0.157 0.000 2.663 342 R HA 0.178 4.492 4.340 -0.044 0.000 0.267 342 R C -1.367 174.896 176.300 -0.061 0.000 1.038 342 R CA -0.850 55.179 56.100 -0.118 0.000 0.886 342 R CB 1.143 31.346 30.300 -0.161 0.000 1.249 342 R HN 0.496 nan 8.270 nan 0.000 0.463 343 Q N 2.360 122.150 119.800 -0.016 0.000 2.288 343 Q HA 0.293 4.607 4.340 -0.044 0.000 0.258 343 Q C -2.249 173.791 176.000 0.066 0.000 0.957 343 Q CA -2.007 53.801 55.803 0.009 0.000 0.919 343 Q CB 1.029 29.773 28.738 0.009 0.000 1.185 343 Q HN 0.339 nan 8.270 nan 0.000 0.408 344 P HA -0.094 nan 4.420 nan 0.000 0.256 344 P C 0.398 177.727 177.300 0.050 0.000 1.173 344 P CA 0.309 63.416 63.100 0.011 0.000 0.768 344 P CB 0.073 31.728 31.700 -0.075 0.000 0.758 345 W N 2.384 123.696 121.300 0.020 0.000 3.256 345 W HA 0.184 4.817 4.660 -0.045 0.000 0.269 345 W C -0.864 175.637 176.519 -0.030 0.000 1.310 345 W CA -0.266 57.073 57.345 -0.010 0.000 1.673 345 W CB -0.823 28.630 29.460 -0.013 0.000 1.115 345 W HN 0.123 nan 8.180 nan 0.000 0.686 346 C N 2.640 121.601 119.300 -0.564 0.000 2.225 346 C HA 0.320 4.754 4.460 -0.044 0.000 0.328 346 C C 1.812 176.611 174.990 -0.318 0.000 1.187 346 C CA -0.211 58.430 59.018 -0.628 0.000 1.665 346 C CB 0.425 27.610 27.740 -0.925 0.000 2.253 346 C HN 0.181 nan 8.230 nan 0.000 0.497 347 V N 3.553 123.344 119.914 -0.205 0.000 2.575 347 V HA -0.009 4.084 4.120 -0.044 0.000 0.242 347 V C 2.029 178.026 176.094 -0.161 0.000 1.045 347 V CA 1.591 63.806 62.300 -0.143 0.000 1.065 347 V CB -0.141 31.638 31.823 -0.073 0.000 0.717 347 V HN 0.792 nan 8.190 nan 0.000 0.467 348 E N -0.411 119.689 120.200 -0.168 0.000 2.447 348 E HA 0.086 4.410 4.350 -0.044 0.000 0.195 348 E C 1.977 178.430 176.600 -0.244 0.000 1.028 348 E CA 0.281 56.582 56.400 -0.165 0.000 0.876 348 E CB 0.366 29.999 29.700 -0.112 0.000 0.885 348 E HN 0.476 nan 8.360 nan 0.000 0.500 349 I N 1.190 121.553 120.570 -0.345 0.000 2.339 349 I HA -0.079 4.065 4.170 -0.044 0.000 0.245 349 I C -0.677 175.091 176.117 -0.582 0.000 1.096 349 I CA 0.777 61.750 61.300 -0.545 0.000 1.408 349 I CB -2.012 35.583 38.000 -0.676 0.000 1.092 349 I HN -0.041 nan 8.210 nan 0.000 0.423 350 P HA -0.137 nan 4.420 nan 0.000 0.218 350 P C 1.751 178.885 177.300 -0.278 0.000 1.148 350 P CA 1.389 64.281 63.100 -0.346 0.000 0.822 350 P CB -0.176 31.376 31.700 -0.247 0.000 0.784 351 R N -0.075 120.284 120.500 -0.234 0.000 2.103 351 R HA -0.127 4.187 4.340 -0.044 0.000 0.234 351 R C 2.218 178.408 176.300 -0.184 0.000 1.132 351 R CA 1.681 57.677 56.100 -0.173 0.000 0.925 351 R CB -1.162 29.057 30.300 -0.135 0.000 0.842 351 R HN 0.159 nan 8.270 nan 0.000 0.430 352 L N -0.084 121.004 121.223 -0.225 0.000 2.349 352 L HA -0.149 4.164 4.340 -0.044 0.000 0.220 352 L C 2.395 179.124 176.870 -0.235 0.000 1.130 352 L CA 1.152 55.873 54.840 -0.198 0.000 0.791 352 L CB -0.382 41.571 42.059 -0.177 0.000 0.918 352 L HN 0.308 nan 8.230 nan 0.000 0.444 353 A N -0.692 121.901 122.820 -0.378 0.000 1.984 353 A HA -0.098 4.195 4.320 -0.044 0.000 0.214 353 A C 2.309 179.835 177.584 -0.096 0.000 1.173 353 A CA 0.628 52.504 52.037 -0.269 0.000 0.673 353 A CB -0.204 18.543 19.000 -0.421 0.000 0.830 353 A HN 0.387 nan 8.150 nan 0.000 0.453 354 E N 0.132 120.261 120.200 -0.119 0.000 2.051 354 E HA -0.263 4.061 4.350 -0.044 0.000 0.192 354 E C 2.080 178.651 176.600 -0.048 0.000 0.991 354 E CA 1.513 57.871 56.400 -0.071 0.000 0.799 354 E CB -0.161 29.492 29.700 -0.079 0.000 0.748 354 E HN 0.727 nan 8.360 nan 0.000 0.449 355 Q N -0.107 119.659 119.800 -0.057 0.000 2.124 355 Q HA -0.174 4.140 4.340 -0.044 0.000 0.202 355 Q C 2.148 178.139 176.000 -0.015 0.000 0.977 355 Q CA 1.101 56.883 55.803 -0.035 0.000 0.850 355 Q CB -0.162 28.553 28.738 -0.039 0.000 0.901 355 Q HN 0.318 nan 8.270 nan 0.000 0.429 356 A N 1.161 123.983 122.820 0.005 0.000 1.842 356 A HA -0.283 4.011 4.320 -0.044 0.000 0.217 356 A C 2.049 179.638 177.584 0.008 0.000 1.206 356 A CA 1.865 53.926 52.037 0.041 0.000 0.630 356 A CB -0.692 18.386 19.000 0.130 0.000 0.839 356 A HN 0.304 nan 8.150 nan 0.000 0.447 357 M N -0.400 119.209 119.600 0.014 0.000 2.082 357 M HA -0.220 4.234 4.480 -0.044 0.000 0.258 357 M C 2.156 178.432 176.300 -0.040 0.000 1.069 357 M CA 2.017 57.316 55.300 -0.002 0.000 1.102 357 M CB -1.251 31.363 32.600 0.023 0.000 1.336 357 M HN 0.592 nan 8.290 nan 0.000 0.404 358 Q N -1.325 118.457 119.800 -0.029 0.000 2.079 358 Q HA -0.053 4.261 4.340 -0.044 0.000 0.200 358 Q C 2.059 178.030 176.000 -0.048 0.000 0.974 358 Q CA 1.607 57.390 55.803 -0.033 0.000 0.840 358 Q CB -0.268 28.454 28.738 -0.026 0.000 0.898 358 Q HN 0.644 nan 8.270 nan 0.000 0.430 359 A N 0.224 123.018 122.820 -0.044 0.000 1.873 359 A HA -0.221 4.072 4.320 -0.044 0.000 0.218 359 A C 2.285 179.812 177.584 -0.094 0.000 1.193 359 A CA 1.840 53.846 52.037 -0.051 0.000 0.629 359 A CB -1.061 17.919 19.000 -0.034 0.000 0.826 359 A HN 0.240 nan 8.150 nan 0.000 0.447 360 V N 0.657 120.486 119.914 -0.141 0.000 2.231 360 V HA -0.347 3.746 4.120 -0.044 0.000 0.248 360 V C 2.441 178.297 176.094 -0.396 0.000 1.054 360 V CA 2.205 64.335 62.300 -0.282 0.000 1.015 360 V CB -0.898 30.690 31.823 -0.391 0.000 0.638 360 V HN 0.607 nan 8.190 nan 0.000 0.444 361 I N 0.852 121.209 120.570 -0.355 0.000 2.121 361 I HA -0.383 3.761 4.170 -0.044 0.000 0.243 361 I C 2.557 178.630 176.117 -0.073 0.000 1.047 361 I CA 2.097 63.305 61.300 -0.153 0.000 1.308 361 I CB -0.907 37.084 38.000 -0.015 0.000 1.015 361 I HN 0.374 nan 8.210 nan 0.000 0.410 362 A N 0.834 123.617 122.820 -0.061 0.000 2.234 362 A HA -0.143 4.151 4.320 -0.044 0.000 0.216 362 A C 1.664 179.234 177.584 -0.023 0.000 1.167 362 A CA 1.125 53.144 52.037 -0.031 0.000 0.698 362 A CB -0.515 18.470 19.000 -0.024 0.000 0.779 362 A HN 0.504 nan 8.150 nan 0.000 0.475 363 R N -0.461 120.009 120.500 -0.050 0.000 2.700 363 R HA 0.146 4.460 4.340 -0.044 0.000 0.377 363 R C 0.973 177.293 176.300 0.034 0.000 1.130 363 R CA 0.274 56.369 56.100 -0.007 0.000 1.055 363 R CB -0.212 30.080 30.300 -0.012 0.000 1.387 363 R HN 0.721 nan 8.270 nan 0.000 0.580 364 R N -0.132 120.393 120.500 0.041 0.000 2.297 364 R HA 0.064 4.378 4.340 -0.044 0.000 0.197 364 R C 0.226 176.582 176.300 0.094 0.000 0.943 364 R CA 0.619 56.786 56.100 0.111 0.000 1.038 364 R CB 0.141 30.525 30.300 0.140 0.000 0.957 364 R HN -0.044 nan 8.270 nan 0.000 0.484 365 D N 2.056 122.532 120.400 0.126 0.000 2.144 365 D HA 0.039 4.653 4.640 -0.044 0.000 0.207 365 D C 0.677 177.242 176.300 0.441 0.000 0.970 365 D CA 1.016 55.142 54.000 0.209 0.000 0.853 365 D CB -0.389 40.496 40.800 0.142 0.000 1.007 365 D HN 0.345 nan 8.370 nan 0.000 0.469 366 A N 0.914 123.930 122.820 0.326 0.000 2.609 366 A HA -0.125 4.169 4.320 -0.044 0.000 0.232 366 A C -0.203 177.638 177.584 0.430 0.000 1.041 366 A CA 0.119 52.341 52.037 0.308 0.000 0.753 366 A CB -0.361 18.751 19.000 0.186 0.000 0.966 366 A HN 0.132 nan 8.150 nan 0.000 0.510 367 F N 3.150 123.138 119.950 0.065 0.000 2.567 367 F HA 0.508 5.009 4.527 -0.043 0.000 0.352 367 F C 0.810 176.545 175.800 -0.107 0.000 1.229 367 F CA 0.182 58.070 58.000 -0.186 0.000 1.228 367 F CB -0.154 38.614 39.000 -0.386 0.000 1.568 367 F HN 0.675 nan 8.300 nan 0.000 0.634 368 G N 3.236 111.941 108.800 -0.158 0.000 3.022 368 G HA2 0.250 4.184 3.960 -0.044 0.000 0.284 368 G HA3 0.250 4.184 3.960 -0.044 0.000 0.284 368 G C 0.271 175.068 174.900 -0.171 0.000 1.375 368 G CA -0.367 44.615 45.100 -0.195 0.000 0.902 368 G HN 0.383 nan 8.290 nan 0.000 0.538 369 E N -0.704 119.431 120.200 -0.108 0.000 2.150 369 E HA 0.019 4.343 4.350 -0.044 0.000 0.193 369 E C 2.206 178.811 176.600 0.008 0.000 0.985 369 E CA 1.256 57.618 56.400 -0.063 0.000 0.814 369 E CB -0.058 29.614 29.700 -0.046 0.000 0.752 369 E HN 0.372 nan 8.360 nan 0.000 0.466 370 A N 0.997 123.835 122.820 0.031 0.000 1.929 370 A HA -0.150 4.144 4.320 -0.044 0.000 0.216 370 A C 2.084 179.742 177.584 0.123 0.000 1.176 370 A CA 1.219 53.291 52.037 0.060 0.000 0.628 370 A CB -0.213 18.814 19.000 0.044 0.000 0.816 370 A HN 0.109 nan 8.150 nan 0.000 0.444 371 Q N -0.562 119.339 119.800 0.168 0.000 2.016 371 Q HA -0.108 4.206 4.340 -0.044 0.000 0.200 371 Q C 2.040 178.249 176.000 0.348 0.000 0.978 371 Q CA 1.496 57.480 55.803 0.302 0.000 0.833 371 Q CB -0.655 28.369 28.738 0.476 0.000 0.895 371 Q HN 0.583 nan 8.270 nan 0.000 0.427 372 L N 0.460 121.899 121.223 0.361 0.000 2.043 372 L HA -0.202 4.112 4.340 -0.044 0.000 0.212 372 L C 1.982 178.962 176.870 0.182 0.000 1.075 372 L CA 2.239 57.269 54.840 0.317 0.000 0.752 372 L CB -0.968 41.144 42.059 0.087 0.000 0.891 372 L HN 0.203 nan 8.230 nan 0.000 0.432 373 A N -1.110 121.784 122.820 0.123 0.000 1.908 373 A HA -0.334 3.960 4.320 -0.044 0.000 0.218 373 A C 2.305 179.952 177.584 0.105 0.000 1.181 373 A CA 1.972 54.064 52.037 0.093 0.000 0.627 373 A CB -1.136 17.906 19.000 0.070 0.000 0.818 373 A HN 0.782 nan 8.150 nan 0.000 0.445 374 H N 0.056 119.152 119.070 0.043 0.000 2.326 374 H HA 0.009 4.538 4.556 -0.044 0.000 0.301 374 H C 1.592 176.912 175.328 -0.014 0.000 1.081 374 H CA 1.959 58.012 56.048 0.008 0.000 1.334 374 H CB -0.121 29.642 29.762 0.003 0.000 1.385 374 H HN 0.431 nan 8.280 nan 0.000 0.504 375 R N -0.348 120.035 120.500 -0.195 0.000 2.391 375 R HA 0.145 4.459 4.340 -0.044 0.000 0.249 375 R C 1.483 177.721 176.300 -0.103 0.000 0.957 375 R CA 0.149 56.063 56.100 -0.311 0.000 1.093 375 R CB -0.023 30.084 30.300 -0.321 0.000 1.156 375 R HN 0.232 nan 8.270 nan 0.000 0.526 376 I N 0.787 121.358 120.570 0.002 0.000 2.623 376 I HA -0.333 3.811 4.170 -0.044 0.000 0.261 376 I C 1.301 177.380 176.117 -0.062 0.000 1.204 376 I CA 1.093 62.444 61.300 0.086 0.000 1.444 376 I CB -0.050 37.993 38.000 0.072 0.000 1.094 376 I HN 0.338 nan 8.210 nan 0.000 0.451 377 C N -0.346 118.835 119.300 -0.198 0.000 2.468 377 C HA 0.007 4.440 4.460 -0.044 0.000 0.277 377 C C 2.213 177.003 174.990 -0.334 0.000 1.400 377 C CA -0.242 58.622 59.018 -0.257 0.000 1.770 377 C CB -1.266 26.321 27.740 -0.255 0.000 1.905 377 C HN 0.442 nan 8.230 nan 0.000 0.519 378 D N 1.721 121.834 120.400 -0.478 0.000 2.106 378 D HA -0.161 4.452 4.640 -0.044 0.000 0.191 378 D C 1.520 177.389 176.300 -0.717 0.000 0.997 378 D CA 1.703 55.288 54.000 -0.691 0.000 0.834 378 D CB -0.710 39.542 40.800 -0.913 0.000 0.956 378 D HN 0.610 nan 8.370 nan 0.000 0.448 379 Y N 0.770 120.900 120.300 -0.283 0.000 2.616 379 Y HA 0.108 4.632 4.550 -0.044 0.000 0.296 379 Y C 1.027 176.892 175.900 -0.059 0.000 1.154 379 Y CA -0.190 57.676 58.100 -0.391 0.000 1.325 379 Y CB -0.757 37.230 38.460 -0.790 0.000 1.007 379 Y HN -0.113 nan 8.280 nan 0.000 0.542 380 L N 4.859 126.066 121.223 -0.028 0.000 2.513 380 L HA 0.067 4.381 4.340 -0.044 0.000 0.272 380 L C -1.916 174.937 176.870 -0.028 0.000 1.187 380 L CA -1.608 53.204 54.840 -0.046 0.000 0.895 380 L CB 0.038 41.819 42.059 -0.462 0.000 1.147 380 L HN -0.028 nan 8.230 nan 0.000 0.483 381 P HA 0.075 nan 4.420 nan 0.000 0.278 381 P C -0.753 176.443 177.300 -0.174 0.000 1.238 381 P CA -0.556 62.254 63.100 -0.484 0.000 0.794 381 P CB 0.995 32.075 31.700 -1.034 0.000 0.955 382 E N 2.797 122.861 120.200 -0.226 0.000 2.344 382 E HA -0.013 4.311 4.350 -0.044 0.000 0.270 382 E C -0.060 176.507 176.600 -0.054 0.000 1.021 382 E CA -0.227 56.130 56.400 -0.071 0.000 0.887 382 E CB -0.040 29.607 29.700 -0.089 0.000 0.997 382 E HN 0.253 nan 8.360 nan 0.000 0.429 383 Q N 1.162 120.978 119.800 0.026 0.000 2.494 383 Q HA -0.184 4.130 4.340 -0.044 0.000 0.272 383 Q C 0.107 176.050 176.000 -0.095 0.000 1.145 383 Q CA 1.212 56.995 55.803 -0.034 0.000 0.943 383 Q CB -2.164 26.548 28.738 -0.044 0.000 1.338 383 Q HN 0.777 nan 8.270 nan 0.000 0.492 384 G N 0.242 108.993 108.800 -0.083 0.000 2.890 384 G HA2 0.645 4.579 3.960 -0.044 0.000 0.189 384 G HA3 0.645 4.579 3.960 -0.044 0.000 0.189 384 G C -0.229 174.481 174.900 -0.316 0.000 1.342 384 G CA 0.141 45.176 45.100 -0.108 0.000 1.026 384 G HN 0.209 nan 8.290 nan 0.000 0.579 385 Q N -1.632 118.118 119.800 -0.083 0.000 2.426 385 Q HA 0.548 4.862 4.340 -0.044 0.000 0.278 385 Q C -2.143 174.000 176.000 0.238 0.000 1.007 385 Q CA -0.907 54.854 55.803 -0.070 0.000 0.850 385 Q CB 2.050 30.854 28.738 0.109 0.000 1.427 385 Q HN 0.559 nan 8.270 nan 0.000 0.391 386 L N 2.277 123.666 121.223 0.277 0.000 2.307 386 L HA 0.687 5.001 4.340 -0.044 0.000 0.284 386 L C -1.796 175.274 176.870 0.332 0.000 1.023 386 L CA -0.517 54.522 54.840 0.330 0.000 0.810 386 L CB 1.476 43.715 42.059 0.300 0.000 1.231 386 L HN 0.696 nan 8.230 nan 0.000 0.423 387 F N 5.980 126.037 119.950 0.178 0.000 2.403 387 F HA 0.610 5.110 4.527 -0.046 0.000 0.355 387 F C -0.996 174.860 175.800 0.093 0.000 1.119 387 F CA -0.586 57.500 58.000 0.143 0.000 1.007 387 F CB 1.488 40.551 39.000 0.106 0.000 1.194 387 F HN 0.336 nan 8.300 nan 0.000 0.443 388 V N 6.594 126.046 119.914 -0.770 0.000 2.547 388 V HA 0.834 4.928 4.120 -0.044 0.000 0.299 388 V C 0.319 175.987 176.094 -0.711 0.000 1.040 388 V CA 0.036 62.048 62.300 -0.481 0.000 0.913 388 V CB 1.408 33.080 31.823 -0.250 0.000 0.992 388 V HN 0.892 nan 8.190 nan 0.000 0.449 389 G N 3.624 112.209 108.800 -0.359 0.000 2.630 389 G HA2 0.274 4.208 3.960 -0.044 0.000 0.223 389 G HA3 0.274 4.208 3.960 -0.044 0.000 0.223 389 G C -0.398 174.396 174.900 -0.175 0.000 1.434 389 G CA -0.554 44.397 45.100 -0.247 0.000 1.057 389 G HN 0.653 nan 8.290 nan 0.000 0.570 390 N N 0.295 118.931 118.700 -0.106 0.000 2.776 390 N HA 0.526 5.240 4.740 -0.044 0.000 0.245 390 N C -1.115 174.363 175.510 -0.052 0.000 1.121 390 N CA -0.113 52.889 53.050 -0.081 0.000 0.852 390 N CB 1.346 39.791 38.487 -0.071 0.000 1.142 390 N HN 0.317 nan 8.380 nan 0.000 0.514 391 S N 0.439 116.111 115.700 -0.047 0.000 2.565 391 S HA 0.215 4.659 4.470 -0.044 0.000 0.274 391 S C 0.596 175.180 174.600 -0.027 0.000 1.144 391 S CA -0.583 57.599 58.200 -0.030 0.000 0.849 391 S CB 0.973 64.153 63.200 -0.034 0.000 1.103 391 S HN 0.366 nan 8.310 nan 0.000 0.455 392 L N 4.145 125.359 121.223 -0.016 0.000 2.042 392 L HA 0.037 4.351 4.340 -0.044 0.000 0.210 392 L C 2.236 179.097 176.870 -0.016 0.000 1.076 392 L CA 2.337 57.168 54.840 -0.015 0.000 0.749 392 L CB -0.485 41.569 42.059 -0.008 0.000 0.893 392 L HN 0.634 nan 8.230 nan 0.000 0.432 393 V N -0.643 119.261 119.914 -0.016 0.000 2.439 393 V HA -0.271 3.823 4.120 -0.044 0.000 0.253 393 V C 2.559 178.644 176.094 -0.016 0.000 1.074 393 V CA 2.002 64.293 62.300 -0.014 0.000 1.076 393 V CB -0.239 31.573 31.823 -0.018 0.000 0.664 393 V HN 0.570 nan 8.190 nan 0.000 0.461 394 V N -1.153 118.742 119.914 -0.031 0.000 2.951 394 V HA -0.070 4.023 4.120 -0.044 0.000 0.255 394 V C 2.410 178.483 176.094 -0.034 0.000 1.088 394 V CA 1.733 64.009 62.300 -0.040 0.000 1.109 394 V CB -0.715 31.066 31.823 -0.071 0.000 0.724 394 V HN 0.522 nan 8.190 nan 0.000 0.471 395 R N -0.217 120.265 120.500 -0.030 0.000 2.120 395 R HA 0.013 4.327 4.340 -0.044 0.000 0.234 395 R C 2.263 178.551 176.300 -0.020 0.000 1.123 395 R CA 2.011 58.094 56.100 -0.027 0.000 0.975 395 R CB -0.407 29.877 30.300 -0.026 0.000 0.866 395 R HN 0.507 nan 8.270 nan 0.000 0.446 396 L N -0.058 121.159 121.223 -0.010 0.000 2.109 396 L HA -0.145 4.168 4.340 -0.044 0.000 0.207 396 L C 2.154 179.033 176.870 0.015 0.000 1.086 396 L CA 1.012 55.855 54.840 0.004 0.000 0.760 396 L CB -0.357 41.710 42.059 0.013 0.000 0.910 396 L HN 0.142 nan 8.230 nan 0.000 0.437 397 I N 0.516 121.092 120.570 0.009 0.000 2.208 397 I HA -0.338 3.806 4.170 -0.044 0.000 0.245 397 I C 2.236 178.357 176.117 0.007 0.000 1.097 397 I CA 1.957 63.266 61.300 0.014 0.000 1.363 397 I CB -0.335 37.667 38.000 0.003 0.000 1.051 397 I HN 0.304 nan 8.210 nan 0.000 0.413 398 D N 0.410 120.805 120.400 -0.009 0.000 2.149 398 D HA -0.126 4.488 4.640 -0.044 0.000 0.201 398 D C 2.122 178.410 176.300 -0.020 0.000 0.972 398 D CA 1.228 55.218 54.000 -0.017 0.000 0.835 398 D CB 0.099 40.882 40.800 -0.029 0.000 0.966 398 D HN 0.306 nan 8.370 nan 0.000 0.476 399 A N -0.088 122.719 122.820 -0.022 0.000 1.878 399 A HA 0.129 4.423 4.320 -0.044 0.000 0.213 399 A C 2.079 179.661 177.584 -0.003 0.000 1.192 399 A CA 0.661 52.679 52.037 -0.032 0.000 0.619 399 A CB -0.340 18.637 19.000 -0.038 0.000 0.837 399 A HN 0.345 nan 8.150 nan 0.000 0.446 400 L N -0.903 120.334 121.223 0.024 0.000 2.693 400 L HA 0.209 4.523 4.340 -0.044 0.000 0.235 400 L C 1.008 177.968 176.870 0.150 0.000 1.127 400 L CA 0.138 55.009 54.840 0.053 0.000 0.914 400 L CB 0.212 42.300 42.059 0.048 0.000 1.193 400 L HN 0.361 nan 8.230 nan 0.000 0.502 401 S N -0.026 115.739 115.700 0.108 0.000 2.726 401 S HA 0.446 4.890 4.470 -0.044 0.000 0.308 401 S C -0.847 173.786 174.600 0.055 0.000 1.115 401 S CA -0.444 57.817 58.200 0.102 0.000 0.965 401 S CB 2.193 65.415 63.200 0.037 0.000 1.145 401 S HN 0.201 nan 8.310 nan 0.000 0.532 402 Q N 2.256 122.065 119.800 0.015 0.000 2.337 402 Q HA 0.424 4.737 4.340 -0.044 0.000 0.260 402 Q C -1.776 174.203 176.000 -0.034 0.000 0.982 402 Q CA -0.434 55.371 55.803 0.003 0.000 0.734 402 Q CB 0.919 29.666 28.738 0.014 0.000 1.272 402 Q HN 0.720 nan 8.270 nan 0.000 0.461 403 L N 5.628 126.834 121.223 -0.028 0.000 2.312 403 L HA 0.532 4.845 4.340 -0.044 0.000 0.281 403 L C -1.951 174.899 176.870 -0.033 0.000 1.070 403 L CA -2.012 52.798 54.840 -0.050 0.000 0.805 403 L CB 0.884 42.926 42.059 -0.029 0.000 1.174 403 L HN 0.482 nan 8.230 nan 0.000 0.434 404 P HA 0.062 nan 4.420 nan 0.000 0.271 404 P C -0.417 176.906 177.300 0.038 0.000 1.216 404 P CA -0.373 62.715 63.100 -0.021 0.000 0.771 404 P CB 0.824 32.492 31.700 -0.052 0.000 0.864 405 A N 3.211 126.050 122.820 0.032 0.000 2.598 405 A HA 0.287 4.581 4.320 -0.044 0.000 0.239 405 A C 1.667 179.285 177.584 0.056 0.000 1.032 405 A CA 0.913 52.974 52.037 0.040 0.000 0.760 405 A CB -1.522 17.496 19.000 0.030 0.000 0.946 405 A HN 0.953 nan 8.150 nan 0.000 0.512 406 G N 0.739 109.566 108.800 0.044 0.000 2.196 406 G HA2 -0.319 3.614 3.960 -0.044 0.000 0.268 406 G HA3 -0.319 3.614 3.960 -0.044 0.000 0.268 406 G C 0.144 175.071 174.900 0.044 0.000 0.975 406 G CA 0.967 46.083 45.100 0.027 0.000 0.648 406 G HN 1.660 nan 8.290 nan 0.000 0.538 407 Y N 1.960 122.231 120.300 -0.048 0.000 2.365 407 Y HA 0.520 5.044 4.550 -0.043 0.000 0.340 407 Y C -1.984 173.862 175.900 -0.090 0.000 1.016 407 Y CA -2.378 55.688 58.100 -0.055 0.000 1.196 407 Y CB 1.216 39.647 38.460 -0.048 0.000 1.167 407 Y HN 0.023 nan 8.280 nan 0.000 0.509 408 P HA -0.040 nan 4.420 nan 0.000 0.257 408 P C -1.055 176.017 177.300 -0.380 0.000 1.189 408 P CA 0.471 63.320 63.100 -0.418 0.000 0.780 408 P CB 0.281 31.722 31.700 -0.431 0.000 0.772 409 V N 5.304 124.979 119.914 -0.399 0.000 2.850 409 V HA 0.526 4.620 4.120 -0.044 0.000 0.315 409 V C -0.407 175.335 176.094 -0.588 0.000 1.064 409 V CA -0.395 61.715 62.300 -0.318 0.000 0.979 409 V CB 1.185 32.940 31.823 -0.113 0.000 1.039 409 V HN 0.377 nan 8.190 nan 0.000 0.452 410 Y N -0.123 120.213 120.300 0.061 0.000 2.581 410 Y HA 0.706 5.228 4.550 -0.046 0.000 0.337 410 Y C -0.052 175.797 175.900 -0.085 0.000 1.108 410 Y CA -0.797 57.365 58.100 0.103 0.000 1.033 410 Y CB 2.467 41.098 38.460 0.285 0.000 1.318 410 Y HN 0.725 nan 8.280 nan 0.000 0.459 411 S N 0.328 116.131 115.700 0.172 0.000 2.552 411 S HA 0.391 4.835 4.470 -0.044 0.000 0.272 411 S C -1.662 172.994 174.600 0.092 0.000 1.150 411 S CA -1.159 56.972 58.200 -0.116 0.000 0.849 411 S CB 1.579 64.729 63.200 -0.084 0.000 1.113 411 S HN 0.500 nan 8.310 nan 0.000 0.458 412 N N 1.167 119.892 118.700 0.042 0.000 3.301 412 N HA 0.308 5.021 4.740 -0.044 0.000 0.289 412 N C -0.182 175.333 175.510 0.007 0.000 1.343 412 N CA -0.298 52.799 53.050 0.079 0.000 1.136 412 N CB 0.125 38.664 38.487 0.087 0.000 1.402 412 N HN 0.397 nan 8.380 nan 0.000 0.516 413 R N -0.110 120.390 120.500 -0.001 0.000 2.694 413 R HA 0.234 4.548 4.340 -0.044 0.000 0.334 413 R C 1.280 177.574 176.300 -0.010 0.000 1.143 413 R CA -0.216 55.873 56.100 -0.019 0.000 1.073 413 R CB 0.328 30.608 30.300 -0.033 0.000 1.366 413 R HN 0.333 nan 8.270 nan 0.000 0.577 414 G N 0.621 109.420 108.800 -0.001 0.000 2.547 414 G HA2 -0.161 3.772 3.960 -0.044 0.000 0.214 414 G HA3 -0.161 3.772 3.960 -0.044 0.000 0.214 414 G C 1.021 175.914 174.900 -0.011 0.000 1.254 414 G CA 0.775 45.872 45.100 -0.004 0.000 0.817 414 G HN 0.349 nan 8.290 nan 0.000 0.551 415 A N -0.948 121.863 122.820 -0.015 0.000 2.348 415 A HA 0.534 4.828 4.320 -0.044 0.000 0.224 415 A C 1.304 178.871 177.584 -0.028 0.000 1.227 415 A CA 1.104 53.127 52.037 -0.023 0.000 0.885 415 A CB 0.010 18.990 19.000 -0.034 0.000 0.933 415 A HN 0.803 nan 8.150 nan 0.000 0.506 416 S N -0.635 115.048 115.700 -0.028 0.000 3.682 416 S HA -0.140 4.304 4.470 -0.044 0.000 0.354 416 S C 0.860 175.428 174.600 -0.053 0.000 1.034 416 S CA 0.392 58.569 58.200 -0.039 0.000 1.084 416 S CB -1.757 61.421 63.200 -0.037 0.000 0.903 416 S HN 1.370 nan 8.310 nan 0.000 0.470 417 G N 0.711 109.472 108.800 -0.065 0.000 2.599 417 G HA2 0.541 4.475 3.960 -0.044 0.000 0.264 417 G HA3 0.541 4.475 3.960 -0.044 0.000 0.264 417 G C 0.717 175.522 174.900 -0.158 0.000 1.200 417 G CA -0.385 44.653 45.100 -0.104 0.000 0.896 417 G HN 0.870 nan 8.290 nan 0.000 0.536 418 I N -1.314 119.120 120.570 -0.226 0.000 3.805 418 I HA 0.281 4.425 4.170 -0.044 0.000 0.337 418 I C 0.325 176.089 176.117 -0.588 0.000 1.539 418 I CA -0.220 60.923 61.300 -0.262 0.000 1.176 418 I CB 0.356 38.285 38.000 -0.117 0.000 1.248 418 I HN 0.482 nan 8.210 nan 0.000 0.437 419 D N 0.849 120.851 120.400 -0.663 0.000 2.379 419 D HA 0.074 4.687 4.640 -0.044 0.000 0.208 419 D C 1.228 177.168 176.300 -0.600 0.000 1.065 419 D CA 0.497 53.918 54.000 -0.964 0.000 0.848 419 D CB 0.943 41.249 40.800 -0.824 0.000 0.949 419 D HN 0.469 nan 8.370 nan 0.000 0.509 420 G N 0.744 109.108 108.800 -0.726 0.000 4.530 420 G HA2 0.209 4.143 3.960 -0.044 0.000 0.284 420 G HA3 0.209 4.143 3.960 -0.044 0.000 0.284 420 G C 1.226 175.818 174.900 -0.514 0.000 1.008 420 G CA -0.263 44.310 45.100 -0.878 0.000 0.770 420 G HN 0.084 nan 8.290 nan 0.000 0.424 421 L N 0.172 121.229 121.223 -0.278 0.000 2.042 421 L HA -0.088 4.226 4.340 -0.044 0.000 0.210 421 L C 2.705 179.529 176.870 -0.077 0.000 1.076 421 L CA 1.222 56.044 54.840 -0.030 0.000 0.749 421 L CB -0.342 41.771 42.059 0.089 0.000 0.893 421 L HN 0.230 nan 8.230 nan 0.000 0.432 422 L N -0.669 120.489 121.223 -0.108 0.000 2.093 422 L HA -0.123 4.190 4.340 -0.044 0.000 0.208 422 L C 2.782 179.511 176.870 -0.236 0.000 1.085 422 L CA 1.431 56.188 54.840 -0.139 0.000 0.755 422 L CB -0.746 41.250 42.059 -0.105 0.000 0.904 422 L HN 0.381 nan 8.230 nan 0.000 0.435 423 S N -1.773 113.788 115.700 -0.231 0.000 2.446 423 S HA -0.090 4.353 4.470 -0.044 0.000 0.225 423 S C 1.894 176.326 174.600 -0.280 0.000 1.016 423 S CA 1.011 59.050 58.200 -0.268 0.000 0.943 423 S CB -0.531 62.534 63.200 -0.225 0.000 0.786 423 S HN 0.290 nan 8.310 nan 0.000 0.508 424 T N 2.789 117.172 114.554 -0.285 0.000 2.788 424 T HA 0.064 4.388 4.350 -0.044 0.000 0.268 424 T C 2.171 176.482 174.700 -0.648 0.000 1.044 424 T CA 1.346 63.222 62.100 -0.373 0.000 1.139 424 T CB -0.696 68.010 68.868 -0.271 0.000 0.867 424 T HN 0.625 nan 8.240 nan 0.000 0.454 425 A N 1.527 123.881 122.820 -0.776 0.000 1.902 425 A HA 0.176 4.470 4.320 -0.044 0.000 0.217 425 A C 2.664 179.970 177.584 -0.463 0.000 1.181 425 A CA 1.730 53.260 52.037 -0.844 0.000 0.623 425 A CB -1.111 17.565 19.000 -0.541 0.000 0.818 425 A HN 0.502 nan 8.150 nan 0.000 0.443 426 A N -0.596 122.011 122.820 -0.354 0.000 1.978 426 A HA 0.107 4.401 4.320 -0.044 0.000 0.220 426 A C 2.301 179.710 177.584 -0.291 0.000 1.170 426 A CA 1.935 53.811 52.037 -0.269 0.000 0.636 426 A CB -1.146 17.702 19.000 -0.254 0.000 0.810 426 A HN 0.691 nan 8.150 nan 0.000 0.448 427 G N -0.868 107.716 108.800 -0.359 0.000 2.396 427 G HA2 -0.001 3.933 3.960 -0.044 0.000 0.214 427 G HA3 -0.001 3.933 3.960 -0.044 0.000 0.214 427 G C 1.469 176.145 174.900 -0.374 0.000 1.166 427 G CA 1.004 45.874 45.100 -0.384 0.000 0.793 427 G HN 0.283 nan 8.290 nan 0.000 0.533 428 V N 0.565 120.238 119.914 -0.402 0.000 2.343 428 V HA -0.190 3.903 4.120 -0.044 0.000 0.247 428 V C 2.853 178.795 176.094 -0.254 0.000 1.051 428 V CA 2.017 64.081 62.300 -0.392 0.000 1.036 428 V CB -0.201 31.349 31.823 -0.454 0.000 0.654 428 V HN 0.337 nan 8.190 nan 0.000 0.451 429 Q N 0.511 120.197 119.800 -0.190 0.000 2.046 429 Q HA -0.175 4.139 4.340 -0.044 0.000 0.200 429 Q C 2.436 178.387 176.000 -0.081 0.000 0.975 429 Q CA 1.669 57.418 55.803 -0.089 0.000 0.836 429 Q CB -0.183 28.526 28.738 -0.049 0.000 0.896 429 Q HN 0.578 nan 8.270 nan 0.000 0.428 430 R N -0.216 120.214 120.500 -0.116 0.000 2.115 430 R HA -0.047 4.267 4.340 -0.044 0.000 0.230 430 R C 2.265 178.526 176.300 -0.065 0.000 1.111 430 R CA 0.981 57.046 56.100 -0.057 0.000 0.976 430 R CB -0.325 29.945 30.300 -0.050 0.000 0.870 430 R HN 0.242 nan 8.270 nan 0.000 0.445 431 A N 1.280 123.998 122.820 -0.171 0.000 1.873 431 A HA -0.152 4.142 4.320 -0.044 0.000 0.215 431 A C 2.197 179.763 177.584 -0.029 0.000 1.186 431 A CA 1.883 53.829 52.037 -0.152 0.000 0.616 431 A CB -0.352 18.504 19.000 -0.239 0.000 0.823 431 A HN 0.407 nan 8.150 nan 0.000 0.442 432 S N -2.403 113.269 115.700 -0.046 0.000 2.548 432 S HA 0.387 4.830 4.470 -0.044 0.000 0.215 432 S C 1.459 176.066 174.600 0.011 0.000 0.976 432 S CA 1.124 59.320 58.200 -0.006 0.000 0.908 432 S CB -0.032 63.164 63.200 -0.007 0.000 0.781 432 S HN 1.947 nan 8.310 nan 0.000 0.519 433 G N 1.055 109.863 108.800 0.013 0.000 2.168 433 G HA2 -0.294 3.640 3.960 -0.044 0.000 0.263 433 G HA3 -0.294 3.640 3.960 -0.044 0.000 0.263 433 G C -0.018 174.893 174.900 0.019 0.000 0.977 433 G CA 0.538 45.653 45.100 0.025 0.000 0.659 433 G HN 0.610 nan 8.290 nan 0.000 0.533 434 K N 1.492 121.899 120.400 0.011 0.000 2.118 434 K HA 0.472 4.766 4.320 -0.044 0.000 0.264 434 K C -1.991 174.623 176.600 0.024 0.000 1.000 434 K CA -1.784 54.505 56.287 0.004 0.000 0.929 434 K CB 1.018 33.508 32.500 -0.017 0.000 1.021 434 K HN 0.040 nan 8.250 nan 0.000 0.463 435 P HA -0.038 nan 4.420 nan 0.000 0.266 435 P C -0.903 176.435 177.300 0.064 0.000 1.195 435 P CA 0.090 63.198 63.100 0.013 0.000 0.768 435 P CB 0.610 32.175 31.700 -0.225 0.000 0.838 436 T N 2.804 117.505 114.554 0.246 0.000 2.971 436 T HA 0.398 4.722 4.350 -0.044 0.000 0.304 436 T C -0.741 174.233 174.700 0.457 0.000 1.038 436 T CA -0.433 61.834 62.100 0.278 0.000 1.007 436 T CB 1.210 70.198 68.868 0.199 0.000 1.055 436 T HN 0.201 nan 8.240 nan 0.000 0.451 437 L N 2.891 124.390 121.223 0.461 0.000 2.317 437 L HA 0.908 5.222 4.340 -0.044 0.000 0.281 437 L C -0.734 176.346 176.870 0.350 0.000 1.024 437 L CA -0.542 54.577 54.840 0.464 0.000 0.810 437 L CB 0.960 43.327 42.059 0.513 0.000 1.240 437 L HN 0.860 nan 8.230 nan 0.000 0.427 438 A N 6.029 129.017 122.820 0.280 0.000 2.381 438 A HA 0.819 5.113 4.320 -0.044 0.000 0.299 438 A C -1.113 176.572 177.584 0.168 0.000 1.049 438 A CA -0.458 51.748 52.037 0.282 0.000 0.715 438 A CB 0.778 19.967 19.000 0.315 0.000 1.222 438 A HN 0.641 nan 8.150 nan 0.000 0.428 439 I N 1.296 121.932 120.570 0.110 0.000 2.693 439 I HA 0.840 4.984 4.170 -0.044 0.000 0.303 439 I C -0.301 175.821 176.117 0.008 0.000 1.025 439 I CA -1.116 60.210 61.300 0.043 0.000 1.086 439 I CB 1.980 39.993 38.000 0.022 0.000 1.268 439 I HN 0.370 nan 8.210 nan 0.000 0.440 440 V N 1.643 121.544 119.914 -0.020 0.000 3.242 440 V HA 0.692 4.785 4.120 -0.044 0.000 0.298 440 V C -0.094 175.969 176.094 -0.053 0.000 1.352 440 V CA -0.577 61.704 62.300 -0.032 0.000 1.052 440 V CB 2.460 34.272 31.823 -0.019 0.000 1.101 440 V HN 0.938 nan 8.190 nan 0.000 0.446 441 G N 0.490 109.269 108.800 -0.035 0.000 2.476 441 G HA2 0.386 4.319 3.960 -0.044 0.000 0.286 441 G HA3 0.386 4.319 3.960 -0.044 0.000 0.286 441 G C 0.733 175.617 174.900 -0.027 0.000 1.177 441 G CA 0.429 45.517 45.100 -0.020 0.000 0.870 441 G HN 0.882 nan 8.290 nan 0.000 0.528 442 D N 0.708 121.120 120.400 0.019 0.000 2.170 442 D HA -0.240 4.374 4.640 -0.044 0.000 0.193 442 D C 2.137 178.573 176.300 0.228 0.000 1.004 442 D CA 0.952 55.045 54.000 0.155 0.000 0.860 442 D CB -0.203 40.788 40.800 0.318 0.000 0.931 442 D HN 0.315 nan 8.370 nan 0.000 0.448 443 L N 0.360 121.678 121.223 0.159 0.000 2.017 443 L HA -0.170 4.144 4.340 -0.044 0.000 0.208 443 L C 2.761 179.756 176.870 0.208 0.000 1.073 443 L CA 1.364 56.309 54.840 0.174 0.000 0.745 443 L CB -0.303 41.837 42.059 0.135 0.000 0.894 443 L HN 0.042 nan 8.230 nan 0.000 0.432 444 S N -0.329 115.451 115.700 0.132 0.000 2.359 444 S HA -0.218 4.225 4.470 -0.044 0.000 0.224 444 S C 2.005 176.677 174.600 0.121 0.000 1.035 444 S CA 1.399 59.661 58.200 0.103 0.000 1.018 444 S CB -0.253 62.959 63.200 0.020 0.000 0.876 444 S HN 0.593 nan 8.310 nan 0.000 0.448 445 A N 0.872 123.728 122.820 0.059 0.000 1.930 445 A HA 0.037 4.331 4.320 -0.044 0.000 0.217 445 A C 2.114 179.846 177.584 0.247 0.000 1.175 445 A CA 1.025 53.077 52.037 0.025 0.000 0.627 445 A CB -0.601 18.194 19.000 -0.342 0.000 0.815 445 A HN 0.460 nan 8.150 nan 0.000 0.443 446 L N -2.213 119.234 121.223 0.373 0.000 2.056 446 L HA -0.182 4.132 4.340 -0.044 0.000 0.207 446 L C 2.552 179.575 176.870 0.255 0.000 1.078 446 L CA 1.506 56.546 54.840 0.333 0.000 0.749 446 L CB -0.585 41.623 42.059 0.250 0.000 0.901 446 L HN 0.505 nan 8.230 nan 0.000 0.433 447 Y N 0.697 121.064 120.300 0.110 0.000 2.114 447 Y HA -0.310 4.215 4.550 -0.043 0.000 0.282 447 Y C 1.810 177.754 175.900 0.074 0.000 1.165 447 Y CA 1.890 60.036 58.100 0.076 0.000 1.148 447 Y CB -0.170 38.318 38.460 0.047 0.000 0.972 447 Y HN 0.184 nan 8.280 nan 0.000 0.504 448 D N -0.497 120.081 120.400 0.296 0.000 2.643 448 D HA 0.047 4.661 4.640 -0.044 0.000 0.244 448 D C 1.539 177.925 176.300 0.144 0.000 1.257 448 D CA -0.038 54.066 54.000 0.174 0.000 0.831 448 D CB -0.455 40.366 40.800 0.035 0.000 1.043 448 D HN 0.237 nan 8.370 nan 0.000 0.488 449 L N 1.458 122.798 121.223 0.195 0.000 2.043 449 L HA -0.212 4.102 4.340 -0.044 0.000 0.212 449 L C 1.566 178.526 176.870 0.150 0.000 1.075 449 L CA 2.004 56.966 54.840 0.203 0.000 0.752 449 L CB -0.912 41.296 42.059 0.248 0.000 0.891 449 L HN 0.245 nan 8.230 nan 0.000 0.432 450 N N -0.050 118.770 118.700 0.200 0.000 2.609 450 N HA -0.064 4.650 4.740 -0.044 0.000 0.190 450 N C 1.377 176.932 175.510 0.075 0.000 1.157 450 N CA 1.095 54.292 53.050 0.244 0.000 0.918 450 N CB -0.695 38.075 38.487 0.472 0.000 0.978 450 N HN 0.395 nan 8.380 nan 0.000 0.448 451 A N 0.192 123.001 122.820 -0.018 0.000 2.206 451 A HA 0.196 4.489 4.320 -0.044 0.000 0.211 451 A C 2.037 179.436 177.584 -0.308 0.000 1.158 451 A CA -0.018 51.902 52.037 -0.195 0.000 0.761 451 A CB -0.635 18.230 19.000 -0.224 0.000 0.801 451 A HN 0.326 nan 8.150 nan 0.000 0.473 452 L N -0.800 120.202 121.223 -0.369 0.000 2.081 452 L HA -0.301 4.012 4.340 -0.044 0.000 0.212 452 L C 3.063 179.529 176.870 -0.673 0.000 1.080 452 L CA 1.218 55.764 54.840 -0.491 0.000 0.754 452 L CB -0.525 41.213 42.059 -0.535 0.000 0.893 452 L HN 0.477 nan 8.230 nan 0.000 0.433 453 A N 0.092 122.376 122.820 -0.893 0.000 1.917 453 A HA -0.214 4.079 4.320 -0.044 0.000 0.219 453 A C 2.228 179.716 177.584 -0.161 0.000 1.182 453 A CA 1.731 53.555 52.037 -0.356 0.000 0.633 453 A CB -0.699 18.370 19.000 0.116 0.000 0.819 453 A HN 0.397 nan 8.150 nan 0.000 0.448 454 L N -0.786 120.273 121.223 -0.273 0.000 2.056 454 L HA -0.140 4.173 4.340 -0.044 0.000 0.207 454 L C 2.410 179.186 176.870 -0.158 0.000 1.078 454 L CA 0.993 55.682 54.840 -0.252 0.000 0.749 454 L CB -0.518 41.292 42.059 -0.415 0.000 0.901 454 L HN 0.352 nan 8.230 nan 0.000 0.433 455 L N -0.703 120.416 121.223 -0.174 0.000 2.353 455 L HA -0.172 4.142 4.340 -0.044 0.000 0.220 455 L C 2.644 179.488 176.870 -0.043 0.000 1.133 455 L CA 0.686 55.462 54.840 -0.107 0.000 0.798 455 L CB -0.565 41.431 42.059 -0.105 0.000 0.922 455 L HN 0.233 nan 8.230 nan 0.000 0.445 456 R N 0.109 120.595 120.500 -0.023 0.000 2.154 456 R HA -0.146 4.167 4.340 -0.044 0.000 0.248 456 R C 0.390 176.714 176.300 0.040 0.000 1.155 456 R CA 1.071 57.199 56.100 0.046 0.000 0.979 456 R CB 0.054 30.414 30.300 0.101 0.000 0.869 456 R HN 0.405 nan 8.270 nan 0.000 0.452 457 Q N 0.559 120.370 119.800 0.017 0.000 2.456 457 Q HA 0.259 4.573 4.340 -0.044 0.000 0.252 457 Q C -1.116 174.898 176.000 0.023 0.000 1.042 457 Q CA -0.293 55.528 55.803 0.030 0.000 0.766 457 Q CB 1.800 30.562 28.738 0.039 0.000 1.196 457 Q HN 0.012 nan 8.270 nan 0.000 0.504 458 V N -1.124 118.811 119.914 0.035 0.000 2.925 458 V HA 0.497 4.591 4.120 -0.044 0.000 0.311 458 V C 0.779 176.904 176.094 0.051 0.000 1.104 458 V CA -0.858 61.463 62.300 0.035 0.000 0.954 458 V CB 1.850 33.694 31.823 0.036 0.000 1.022 458 V HN 0.601 nan 8.190 nan 0.000 0.427 459 S N 0.542 116.273 115.700 0.052 0.000 2.593 459 S HA 0.719 5.163 4.470 -0.044 0.000 0.217 459 S C 0.555 175.192 174.600 0.061 0.000 0.966 459 S CA 0.374 58.608 58.200 0.056 0.000 0.914 459 S CB -0.045 63.189 63.200 0.056 0.000 0.776 459 S HN 1.984 nan 8.310 nan 0.000 0.523 460 A N 1.149 124.013 122.820 0.073 0.000 2.566 460 A HA 0.715 5.009 4.320 -0.044 0.000 0.290 460 A C -3.317 174.352 177.584 0.141 0.000 1.071 460 A CA -1.679 50.415 52.037 0.095 0.000 0.658 460 A CB 0.223 19.268 19.000 0.076 0.000 1.285 460 A HN 0.089 nan 8.150 nan 0.000 0.427 461 P HA 0.390 nan 4.420 nan 0.000 0.268 461 P C -0.836 176.679 177.300 0.358 0.000 1.205 461 P CA 0.180 63.461 63.100 0.301 0.000 0.771 461 P CB 0.660 32.672 31.700 0.521 0.000 0.858 462 L N 3.374 124.732 121.223 0.225 0.000 2.376 462 L HA 0.422 4.736 4.340 -0.044 0.000 0.275 462 L C -1.032 175.878 176.870 0.067 0.000 0.987 462 L CA -0.991 53.970 54.840 0.201 0.000 0.828 462 L CB 1.783 43.899 42.059 0.094 0.000 1.249 462 L HN -0.004 nan 8.230 nan 0.000 0.409 463 V N 5.878 125.824 119.914 0.053 0.000 2.383 463 V HA 0.270 4.363 4.120 -0.044 0.000 0.275 463 V C -0.117 175.958 176.094 -0.031 0.000 1.036 463 V CA -0.426 61.784 62.300 -0.149 0.000 0.889 463 V CB 1.480 33.061 31.823 -0.403 0.000 0.985 463 V HN 0.576 nan 8.190 nan 0.000 0.459 464 L N 7.646 128.825 121.223 -0.072 0.000 2.264 464 L HA 0.549 4.862 4.340 -0.044 0.000 0.287 464 L C -0.211 176.608 176.870 -0.085 0.000 1.039 464 L CA 0.308 55.127 54.840 -0.036 0.000 0.829 464 L CB 0.493 42.528 42.059 -0.040 0.000 1.211 464 L HN 0.481 nan 8.230 nan 0.000 0.427 465 I N 5.509 126.048 120.570 -0.052 0.000 2.441 465 I HA 0.222 4.366 4.170 -0.044 0.000 0.287 465 I C -0.472 175.592 176.117 -0.089 0.000 1.049 465 I CA -0.527 60.727 61.300 -0.076 0.000 1.381 465 I CB 1.425 39.420 38.000 -0.008 0.000 1.409 465 I HN 0.293 nan 8.210 nan 0.000 0.523 466 V N 7.566 127.404 119.914 -0.127 0.000 2.349 466 V HA 0.161 4.255 4.120 -0.044 0.000 0.284 466 V C 0.067 176.094 176.094 -0.111 0.000 1.014 466 V CA -0.629 61.568 62.300 -0.172 0.000 0.826 466 V CB 1.762 33.372 31.823 -0.354 0.000 1.009 466 V HN 0.405 nan 8.190 nan 0.000 0.431 467 V N 5.073 124.940 119.914 -0.078 0.000 2.352 467 V HA 0.199 4.293 4.120 -0.044 0.000 0.253 467 V C 0.464 176.553 176.094 -0.009 0.000 1.083 467 V CA -0.179 62.091 62.300 -0.049 0.000 0.993 467 V CB 0.426 32.222 31.823 -0.045 0.000 1.111 467 V HN 0.832 nan 8.190 nan 0.000 0.490 468 N N 4.501 123.225 118.700 0.040 0.000 2.426 468 N HA 0.198 4.912 4.740 -0.044 0.000 0.275 468 N C 0.196 175.774 175.510 0.114 0.000 1.019 468 N CA -0.576 52.553 53.050 0.131 0.000 0.941 468 N CB 1.011 39.668 38.487 0.283 0.000 1.123 468 N HN 0.742 nan 8.380 nan 0.000 0.486 469 N N 2.433 121.194 118.700 0.101 0.000 2.541 469 N HA 0.132 4.846 4.740 -0.044 0.000 0.297 469 N C -0.547 175.007 175.510 0.073 0.000 1.503 469 N CA -0.685 52.408 53.050 0.072 0.000 0.919 469 N CB -0.245 38.268 38.487 0.043 0.000 1.305 469 N HN 0.773 nan 8.380 nan 0.000 0.501 495 V N 0.519 120.200 119.914 -0.388 0.000 2.716 495 V HA 0.630 4.724 4.120 -0.044 0.000 0.304 495 V C -0.634 175.117 176.094 -0.572 0.000 1.053 495 V CA 0.129 62.181 62.300 -0.413 0.000 0.984 495 V CB 1.774 33.398 31.823 -0.332 0.000 1.021 495 V HN 0.204 nan 8.190 nan 0.000 0.467 496 H N 3.714 122.643 119.070 -0.235 0.000 2.946 496 H HA 0.459 4.989 4.556 -0.044 0.000 0.365 496 H C -0.548 174.584 175.328 -0.326 0.000 1.197 496 H CA -0.728 55.237 56.048 -0.138 0.000 1.131 496 H CB 1.745 31.520 29.762 0.022 0.000 1.849 496 H HN 0.710 nan 8.280 nan 0.000 0.555 497 F N 0.005 120.062 119.950 0.178 0.000 2.765 497 F HA 0.058 4.559 4.527 -0.044 0.000 0.302 497 F C 2.182 177.833 175.800 -0.248 0.000 1.111 497 F CA 0.122 58.166 58.000 0.074 0.000 1.359 497 F CB 0.253 39.367 39.000 0.189 0.000 1.097 497 F HN 0.608 nan 8.300 nan 0.000 0.577 498 E N 0.184 120.076 120.200 -0.514 0.000 2.038 498 E HA -0.242 4.081 4.350 -0.044 0.000 0.195 498 E C 1.823 178.083 176.600 -0.567 0.000 1.000 498 E CA 1.700 57.429 56.400 -1.117 0.000 0.803 498 E CB -0.144 28.977 29.700 -0.966 0.000 0.750 498 E HN 0.436 nan 8.360 nan 0.000 0.448 499 H N -0.819 118.113 119.070 -0.229 0.000 2.546 499 H HA 0.038 4.567 4.556 -0.044 0.000 0.277 499 H C 1.692 176.978 175.328 -0.071 0.000 1.004 499 H CA 0.914 56.878 56.048 -0.141 0.000 1.231 499 H CB 0.190 29.883 29.762 -0.115 0.000 1.382 499 H HN 0.325 nan 8.280 nan 0.000 0.580 500 A N 1.068 123.946 122.820 0.097 0.000 1.861 500 A HA 0.124 4.418 4.320 -0.044 0.000 0.212 500 A C 2.690 180.437 177.584 0.271 0.000 1.199 500 A CA 1.013 53.185 52.037 0.226 0.000 0.613 500 A CB -0.713 18.485 19.000 0.330 0.000 0.846 500 A HN 0.349 nan 8.150 nan 0.000 0.446 501 A N 0.278 123.211 122.820 0.189 0.000 1.903 501 A HA -0.027 4.266 4.320 -0.044 0.000 0.219 501 A C 2.496 180.138 177.584 0.098 0.000 1.191 501 A CA 2.724 54.858 52.037 0.161 0.000 0.638 501 A CB -1.138 17.925 19.000 0.104 0.000 0.823 501 A HN 1.125 nan 8.150 nan 0.000 0.451 502 A N -1.234 121.586 122.820 -0.000 0.000 1.873 502 A HA -0.105 4.188 4.320 -0.044 0.000 0.215 502 A C 2.255 179.819 177.584 -0.033 0.000 1.186 502 A CA 1.808 53.836 52.037 -0.016 0.000 0.616 502 A CB -0.581 18.395 19.000 -0.039 0.000 0.823 502 A HN 0.557 nan 8.150 nan 0.000 0.442 503 M N -1.560 117.985 119.600 -0.091 0.000 2.103 503 M HA -0.234 4.219 4.480 -0.044 0.000 0.255 503 M C 1.010 177.036 176.300 -0.457 0.000 1.074 503 M CA 2.015 57.111 55.300 -0.341 0.000 1.090 503 M CB -0.250 32.043 32.600 -0.511 0.000 1.325 503 M HN 0.467 nan 8.290 nan 0.000 0.403 504 F N -0.017 119.970 119.950 0.061 0.000 2.664 504 F HA 0.177 4.679 4.527 -0.043 0.000 0.303 504 F C 0.424 176.256 175.800 0.054 0.000 1.092 504 F CA 0.011 58.053 58.000 0.069 0.000 1.305 504 F CB -0.042 39.012 39.000 0.091 0.000 1.054 504 F HN 0.196 nan 8.300 nan 0.000 0.565 505 E N 1.128 121.415 120.200 0.146 0.000 2.287 505 E HA -0.197 4.127 4.350 -0.044 0.000 0.229 505 E C -0.725 175.940 176.600 0.108 0.000 1.194 505 E CA 0.063 56.520 56.400 0.095 0.000 0.704 505 E CB -1.693 28.052 29.700 0.074 0.000 1.216 505 E HN 0.366 nan 8.360 nan 0.000 0.381 506 L N 0.747 122.043 121.223 0.122 0.000 2.334 506 L HA 0.406 4.720 4.340 -0.044 0.000 0.276 506 L C 0.680 177.592 176.870 0.071 0.000 1.014 506 L CA -0.981 53.919 54.840 0.100 0.000 0.815 506 L CB 1.349 43.487 42.059 0.131 0.000 1.268 506 L HN -0.032 nan 8.230 nan 0.000 0.428 507 K N 1.842 122.263 120.400 0.036 0.000 2.469 507 K HA 0.140 4.434 4.320 -0.044 0.000 0.274 507 K C -1.118 175.487 176.600 0.008 0.000 0.983 507 K CA 0.373 56.654 56.287 -0.011 0.000 0.974 507 K CB 0.365 32.843 32.500 -0.036 0.000 0.913 507 K HN 0.334 nan 8.250 nan 0.000 0.493 508 Y N 2.188 122.334 120.300 -0.257 0.000 2.457 508 Y HA 0.310 4.833 4.550 -0.044 0.000 0.343 508 Y C -1.064 174.548 175.900 -0.481 0.000 0.994 508 Y CA -0.716 57.237 58.100 -0.244 0.000 1.031 508 Y CB 1.344 39.718 38.460 -0.143 0.000 1.246 508 Y HN 0.602 nan 8.280 nan 0.000 0.449 509 H N 4.793 123.363 119.070 -0.833 0.000 2.821 509 H HA 0.495 5.024 4.556 -0.044 0.000 0.373 509 H C -1.003 173.802 175.328 -0.871 0.000 1.165 509 H CA -1.058 54.589 56.048 -0.668 0.000 1.154 509 H CB 2.581 32.122 29.762 -0.367 0.000 1.765 509 H HN 0.609 nan 8.280 nan 0.000 0.549 510 R N 2.732 123.023 120.500 -0.348 0.000 2.585 510 R HA 0.224 4.538 4.340 -0.044 0.000 0.278 510 R C -2.729 173.520 176.300 -0.085 0.000 1.663 510 R CA -1.621 54.353 56.100 -0.210 0.000 1.592 510 R CB 0.602 30.837 30.300 -0.109 0.000 1.200 510 R HN 0.401 nan 8.270 nan 0.000 0.611 511 P HA -0.024 nan 4.420 nan 0.000 0.267 511 P C -0.259 177.026 177.300 -0.025 0.000 1.200 511 P CA 0.170 63.238 63.100 -0.053 0.000 0.772 511 P CB 0.944 32.633 31.700 -0.018 0.000 0.855 512 Q N 1.073 120.785 119.800 -0.147 0.000 2.282 512 Q HA 0.094 4.408 4.340 -0.044 0.000 0.206 512 Q C 0.040 175.623 176.000 -0.695 0.000 0.878 512 Q CA 0.248 55.927 55.803 -0.208 0.000 0.944 512 Q CB 0.152 28.811 28.738 -0.132 0.000 1.100 512 Q HN 0.670 nan 8.270 nan 0.000 0.509 513 N N -3.114 114.885 118.700 -1.168 0.000 3.356 513 N HA 0.032 4.745 4.740 -0.044 0.000 0.246 513 N C -0.689 174.101 175.510 -1.199 0.000 1.480 513 N CA -0.836 51.021 53.050 -1.988 0.000 0.877 513 N CB -0.527 37.461 38.487 -0.832 0.000 1.431 513 N HN -0.085 nan 8.380 nan 0.000 0.500 514 W N -0.283 120.722 121.300 -0.492 0.000 2.341 514 W HA -0.084 4.550 4.660 -0.044 0.000 0.283 514 W C 1.785 178.304 176.519 -0.000 0.000 1.215 514 W CA 0.779 58.130 57.345 0.010 0.000 1.211 514 W CB -0.207 29.316 29.460 0.104 0.000 1.131 514 W HN 0.555 nan 8.180 nan 0.000 0.552 515 Q N 0.123 119.976 119.800 0.088 0.000 2.062 515 Q HA -0.130 4.184 4.340 -0.044 0.000 0.196 515 Q C 1.994 178.001 176.000 0.012 0.000 0.967 515 Q CA 1.181 57.019 55.803 0.060 0.000 0.832 515 Q CB -0.441 28.309 28.738 0.021 0.000 0.899 515 Q HN 0.371 nan 8.270 nan 0.000 0.442 516 E N 0.736 120.892 120.200 -0.073 0.000 2.118 516 E HA -0.214 4.109 4.350 -0.044 0.000 0.195 516 E C 2.000 178.569 176.600 -0.052 0.000 0.992 516 E CA 0.886 57.234 56.400 -0.086 0.000 0.804 516 E CB -0.086 29.532 29.700 -0.136 0.000 0.741 516 E HN 0.180 nan 8.360 nan 0.000 0.458 517 L N 1.507 122.749 121.223 0.031 0.000 2.056 517 L HA -0.158 4.156 4.340 -0.044 0.000 0.207 517 L C 2.097 179.129 176.870 0.269 0.000 1.078 517 L CA 1.748 56.676 54.840 0.147 0.000 0.749 517 L CB -0.165 42.053 42.059 0.265 0.000 0.901 517 L HN 0.012 nan 8.230 nan 0.000 0.433 518 E N -1.218 119.158 120.200 0.293 0.000 2.153 518 E HA -0.201 4.123 4.350 -0.044 0.000 0.194 518 E C 1.918 178.624 176.600 0.177 0.000 0.988 518 E CA 1.639 58.217 56.400 0.297 0.000 0.811 518 E CB -0.017 29.814 29.700 0.218 0.000 0.746 518 E HN 0.564 nan 8.360 nan 0.000 0.466 519 T N 0.587 115.175 114.554 0.056 0.000 2.668 519 T HA -0.136 4.187 4.350 -0.044 0.000 0.262 519 T C 1.928 176.524 174.700 -0.174 0.000 1.045 519 T CA 1.307 63.383 62.100 -0.039 0.000 1.152 519 T CB -0.348 68.484 68.868 -0.060 0.000 0.864 519 T HN 0.277 nan 8.240 nan 0.000 0.419 520 A N 1.179 123.771 122.820 -0.379 0.000 1.906 520 A HA -0.228 4.065 4.320 -0.044 0.000 0.222 520 A C 1.998 179.321 177.584 -0.436 0.000 1.282 520 A CA 2.266 53.874 52.037 -0.715 0.000 0.675 520 A CB -1.415 17.218 19.000 -0.612 0.000 0.838 520 A HN 0.527 nan 8.150 nan 0.000 0.469 521 F N -0.257 119.553 119.950 -0.233 0.000 2.293 521 F HA -0.017 4.483 4.527 -0.044 0.000 0.300 521 F C 2.694 178.379 175.800 -0.191 0.000 1.086 521 F CA 0.870 58.725 58.000 -0.241 0.000 1.375 521 F CB -0.292 38.699 39.000 -0.014 0.000 1.045 521 F HN 0.303 nan 8.300 nan 0.000 0.516 522 A N -0.150 122.726 122.820 0.094 0.000 1.858 522 A HA -0.247 4.047 4.320 -0.044 0.000 0.216 522 A C 2.055 179.683 177.584 0.073 0.000 1.190 522 A CA 2.009 54.118 52.037 0.119 0.000 0.617 522 A CB -1.037 18.009 19.000 0.077 0.000 0.827 522 A HN 0.306 nan 8.150 nan 0.000 0.443 523 D N 0.048 120.446 120.400 -0.003 0.000 2.126 523 D HA -0.142 4.471 4.640 -0.044 0.000 0.190 523 D C 1.994 178.285 176.300 -0.016 0.000 1.001 523 D CA 1.952 55.953 54.000 0.002 0.000 0.841 523 D CB -0.298 40.502 40.800 -0.001 0.000 0.949 523 D HN 0.345 nan 8.370 nan 0.000 0.446 524 A N -0.828 121.886 122.820 -0.176 0.000 2.119 524 A HA -0.067 4.226 4.320 -0.044 0.000 0.217 524 A C 2.014 179.516 177.584 -0.136 0.000 1.153 524 A CA 0.585 52.456 52.037 -0.277 0.000 0.692 524 A CB -1.119 17.523 19.000 -0.597 0.000 0.799 524 A HN 0.469 nan 8.150 nan 0.000 0.458 525 W N 0.452 121.806 121.300 0.090 0.000 2.937 525 W HA 0.004 4.638 4.660 -0.044 0.000 0.245 525 W C 2.298 178.861 176.519 0.073 0.000 1.306 525 W CA 0.336 57.739 57.345 0.096 0.000 1.470 525 W CB 0.176 29.711 29.460 0.125 0.000 1.132 525 W HN 0.440 nan 8.180 nan 0.000 0.675 526 R N 0.483 121.127 120.500 0.240 0.000 2.200 526 R HA 0.054 4.368 4.340 -0.044 0.000 0.208 526 R C 0.678 177.064 176.300 0.142 0.000 1.033 526 R CA 1.289 57.491 56.100 0.170 0.000 1.000 526 R CB -0.605 29.768 30.300 0.121 0.000 0.906 526 R HN -0.018 nan 8.270 nan 0.000 0.462 527 T N -2.426 112.214 114.554 0.143 0.000 2.883 527 T HA 0.380 4.704 4.350 -0.044 0.000 0.301 527 T C -3.007 171.762 174.700 0.116 0.000 1.158 527 T CA -2.322 59.844 62.100 0.110 0.000 1.007 527 T CB 2.581 71.498 68.868 0.081 0.000 1.186 527 T HN -0.228 nan 8.240 nan 0.000 0.499 528 P HA 0.245 nan 4.420 nan 0.000 0.235 528 P C -0.258 177.089 177.300 0.077 0.000 1.720 528 P CA 0.199 63.352 63.100 0.088 0.000 1.003 528 P CB -0.859 30.884 31.700 0.071 0.000 1.968 529 T N -3.290 111.313 114.554 0.082 0.000 2.816 529 T HA 0.469 4.793 4.350 -0.044 0.000 0.299 529 T C -0.524 174.204 174.700 0.048 0.000 1.230 529 T CA -0.713 61.424 62.100 0.061 0.000 1.007 529 T CB 1.104 70.004 68.868 0.053 0.000 1.289 529 T HN -0.225 nan 8.240 nan 0.000 0.508 530 T N 2.220 116.793 114.554 0.031 0.000 2.767 530 T HA 0.583 4.906 4.350 -0.044 0.000 0.284 530 T C -0.386 174.308 174.700 -0.010 0.000 0.973 530 T CA -0.361 61.745 62.100 0.009 0.000 0.996 530 T CB 0.925 69.796 68.868 0.003 0.000 0.927 530 T HN 0.737 nan 8.240 nan 0.000 0.456 531 T N 3.386 117.901 114.554 -0.064 0.000 2.756 531 T HA 0.413 4.736 4.350 -0.044 0.000 0.290 531 T C 0.186 174.824 174.700 -0.103 0.000 0.985 531 T CA -0.510 61.537 62.100 -0.089 0.000 0.955 531 T CB 0.891 69.659 68.868 -0.167 0.000 0.930 531 T HN 0.297 nan 8.240 nan 0.000 0.451 532 V N 5.236 125.131 119.914 -0.031 0.000 2.546 532 V HA 0.407 4.501 4.120 -0.044 0.000 0.284 532 V C 0.146 176.160 176.094 -0.134 0.000 1.050 532 V CA -0.493 61.793 62.300 -0.023 0.000 0.981 532 V CB 0.985 32.904 31.823 0.160 0.000 0.990 532 V HN 0.789 nan 8.190 nan 0.000 0.474 533 I N 4.431 124.882 120.570 -0.198 0.000 2.466 533 I HA 0.339 4.483 4.170 -0.044 0.000 0.279 533 I C 0.029 176.018 176.117 -0.213 0.000 1.033 533 I CA -0.251 60.882 61.300 -0.278 0.000 1.123 533 I CB 1.462 39.265 38.000 -0.328 0.000 1.237 533 I HN 0.677 nan 8.210 nan 0.000 0.460 534 E N 7.399 127.466 120.200 -0.221 0.000 2.167 534 E HA 0.296 4.620 4.350 -0.044 0.000 0.284 534 E C -0.795 175.763 176.600 -0.070 0.000 1.016 534 E CA -0.599 55.764 56.400 -0.062 0.000 0.817 534 E CB 1.148 30.934 29.700 0.142 0.000 1.080 534 E HN 0.446 nan 8.360 nan 0.000 0.397 535 M N 5.515 125.075 119.600 -0.066 0.000 2.055 535 M HA 0.196 4.650 4.480 -0.044 0.000 0.347 535 M C -1.094 175.179 176.300 -0.046 0.000 1.123 535 M CA -0.709 54.538 55.300 -0.088 0.000 1.035 535 M CB 1.294 33.790 32.600 -0.172 0.000 1.484 535 M HN 0.366 nan 8.290 nan 0.000 0.428 536 V N 5.931 125.840 119.914 -0.009 0.000 2.555 536 V HA 0.338 4.432 4.120 -0.044 0.000 0.286 536 V C 0.225 176.316 176.094 -0.005 0.000 1.044 536 V CA -0.297 62.022 62.300 0.031 0.000 1.026 536 V CB 0.930 32.792 31.823 0.065 0.000 0.981 536 V HN 0.700 nan 8.190 nan 0.000 0.480 537 V N 2.416 122.335 119.914 0.009 0.000 3.182 537 V HA 0.650 4.744 4.120 -0.044 0.000 0.308 537 V C -0.216 175.890 176.094 0.019 0.000 1.240 537 V CA -1.297 60.997 62.300 -0.010 0.000 1.063 537 V CB 2.168 33.963 31.823 -0.047 0.000 1.076 537 V HN 0.689 nan 8.190 nan 0.000 0.446 538 N N 1.050 119.758 118.700 0.014 0.000 2.444 538 N HA 0.116 4.830 4.740 -0.044 0.000 0.255 538 N C 0.186 175.706 175.510 0.018 0.000 1.255 538 N CA 0.707 53.769 53.050 0.020 0.000 0.933 538 N CB 1.018 39.515 38.487 0.017 0.000 1.143 538 N HN 0.958 nan 8.380 nan 0.000 0.453 539 D N -1.404 119.008 120.400 0.020 0.000 2.371 539 D HA -0.084 4.530 4.640 -0.044 0.000 0.221 539 D C 1.156 177.464 176.300 0.014 0.000 0.986 539 D CA 0.886 54.896 54.000 0.018 0.000 0.899 539 D CB 0.004 40.816 40.800 0.019 0.000 0.902 539 D HN 0.569 nan 8.370 nan 0.000 0.530 540 T N -4.017 110.544 114.554 0.013 0.000 2.980 540 T HA 0.066 4.390 4.350 -0.044 0.000 0.252 540 T C 1.178 175.885 174.700 0.010 0.000 0.962 540 T CA -0.254 61.852 62.100 0.011 0.000 0.932 540 T CB 0.022 68.898 68.868 0.013 0.000 1.188 540 T HN -0.225 nan 8.240 nan 0.000 0.500 541 D N 2.261 122.668 120.400 0.011 0.000 2.104 541 D HA 0.041 4.655 4.640 -0.044 0.000 0.194 541 D C 2.356 178.662 176.300 0.011 0.000 0.994 541 D CA 1.830 55.837 54.000 0.013 0.000 0.830 541 D CB -0.750 40.058 40.800 0.014 0.000 0.959 541 D HN 0.494 nan 8.370 nan 0.000 0.452 542 G N 0.336 109.140 108.800 0.006 0.000 2.446 542 G HA2 -0.213 3.721 3.960 -0.044 0.000 0.217 542 G HA3 -0.213 3.721 3.960 -0.044 0.000 0.217 542 G C 1.659 176.560 174.900 0.003 0.000 1.168 542 G CA 1.278 46.380 45.100 0.004 0.000 0.771 542 G HN 0.397 nan 8.290 nan 0.000 0.551 543 A N -0.066 122.755 122.820 0.002 0.000 1.930 543 A HA -0.000 4.293 4.320 -0.044 0.000 0.217 543 A C 2.295 179.879 177.584 -0.000 0.000 1.175 543 A CA 1.942 53.979 52.037 -0.000 0.000 0.627 543 A CB -0.375 18.626 19.000 0.000 0.000 0.815 543 A HN 0.428 nan 8.150 nan 0.000 0.443 544 Q N -0.875 118.927 119.800 0.004 0.000 2.050 544 Q HA -0.127 4.187 4.340 -0.044 0.000 0.202 544 Q C 2.192 178.193 176.000 0.002 0.000 0.980 544 Q CA 2.215 58.021 55.803 0.005 0.000 0.840 544 Q CB -0.309 28.434 28.738 0.010 0.000 0.898 544 Q HN 0.655 nan 8.270 nan 0.000 0.424 545 T N 0.999 115.556 114.554 0.005 0.000 2.720 545 T HA -0.184 4.140 4.350 -0.044 0.000 0.268 545 T C 1.640 176.335 174.700 -0.008 0.000 1.037 545 T CA 1.255 63.358 62.100 0.003 0.000 1.144 545 T CB -0.316 68.560 68.868 0.013 0.000 0.864 545 T HN 0.168 nan 8.240 nan 0.000 0.444 546 L N 0.932 122.149 121.223 -0.010 0.000 1.994 546 L HA -0.079 4.235 4.340 -0.044 0.000 0.208 546 L C 2.588 179.443 176.870 -0.025 0.000 1.071 546 L CA 1.852 56.680 54.840 -0.019 0.000 0.745 546 L CB -0.782 41.267 42.059 -0.017 0.000 0.892 546 L HN 0.223 nan 8.230 nan 0.000 0.431 547 Q N -0.971 118.817 119.800 -0.019 0.000 2.062 547 Q HA -0.326 3.988 4.340 -0.044 0.000 0.209 547 Q C 2.259 178.241 176.000 -0.030 0.000 0.996 547 Q CA 2.685 58.475 55.803 -0.021 0.000 0.859 547 Q CB -0.153 28.579 28.738 -0.011 0.000 0.920 547 Q HN 0.661 nan 8.270 nan 0.000 0.415 548 Q N -0.246 119.541 119.800 -0.022 0.000 2.046 548 Q HA -0.136 4.178 4.340 -0.044 0.000 0.200 548 Q C 2.160 178.135 176.000 -0.040 0.000 0.975 548 Q CA 1.134 56.923 55.803 -0.023 0.000 0.836 548 Q CB -0.073 28.661 28.738 -0.008 0.000 0.896 548 Q HN 0.371 nan 8.270 nan 0.000 0.428 549 L N 0.472 121.672 121.223 -0.038 0.000 2.141 549 L HA -0.170 4.144 4.340 -0.044 0.000 0.209 549 L C 2.292 179.127 176.870 -0.059 0.000 1.094 549 L CA 0.613 55.425 54.840 -0.046 0.000 0.763 549 L CB -0.268 41.766 42.059 -0.042 0.000 0.908 549 L HN 0.315 nan 8.230 nan 0.000 0.437 550 L N -0.508 120.678 121.223 -0.060 0.000 2.012 550 L HA -0.271 4.043 4.340 -0.044 0.000 0.210 550 L C 2.751 179.552 176.870 -0.116 0.000 1.073 550 L CA 1.690 56.488 54.840 -0.070 0.000 0.748 550 L CB -0.384 41.640 42.059 -0.058 0.000 0.891 550 L HN 0.308 nan 8.230 nan 0.000 0.431 551 A N -0.651 122.079 122.820 -0.150 0.000 1.865 551 A HA -0.325 3.969 4.320 -0.044 0.000 0.217 551 A C 2.171 179.462 177.584 -0.488 0.000 1.191 551 A CA 1.984 53.833 52.037 -0.314 0.000 0.623 551 A CB -0.818 18.055 19.000 -0.211 0.000 0.826 551 A HN 0.627 nan 8.150 nan 0.000 0.444 552 Q N -0.366 119.293 119.800 -0.235 0.000 2.234 552 Q HA -0.130 4.183 4.340 -0.044 0.000 0.206 552 Q C 1.750 177.690 176.000 -0.102 0.000 0.980 552 Q CA 1.917 57.642 55.803 -0.131 0.000 0.869 552 Q CB -0.159 28.554 28.738 -0.041 0.000 0.912 552 Q HN 0.416 nan 8.270 nan 0.000 0.436 553 V N 0.683 120.537 119.914 -0.100 0.000 2.535 553 V HA -0.153 3.941 4.120 -0.044 0.000 0.246 553 V C 2.301 178.373 176.094 -0.037 0.000 1.045 553 V CA 1.471 63.750 62.300 -0.035 0.000 1.058 553 V CB -0.148 31.677 31.823 0.004 0.000 0.689 553 V HN 0.547 nan 8.190 nan 0.000 0.461 554 S N -0.426 115.208 115.700 -0.111 0.000 2.528 554 S HA -0.227 4.217 4.470 -0.044 0.000 0.244 554 S C 1.447 176.055 174.600 0.013 0.000 0.982 554 S CA 1.650 59.806 58.200 -0.073 0.000 0.953 554 S CB -0.712 62.412 63.200 -0.126 0.000 0.754 554 S HN 0.830 nan 8.310 nan 0.000 0.529 555 H N 0.418 119.500 119.070 0.021 0.000 2.740 555 H HA 0.362 4.892 4.556 -0.044 0.000 0.265 555 H C 0.930 176.265 175.328 0.011 0.000 0.978 555 H CA -0.428 55.629 56.048 0.015 0.000 1.198 555 H CB 0.244 30.013 29.762 0.011 0.000 1.467 555 H HN 0.363 nan 8.280 nan 0.000 0.511 556 L N 0.000 121.286 121.223 0.104 0.000 2.949 556 L HA 0.000 4.314 4.340 -0.044 0.000 0.249 556 L CA 0.000 54.878 54.840 0.063 0.000 0.813 556 L CB 0.000 42.078 42.059 0.033 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502