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 1adf_1_A DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.594 174.600 -0.010 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 2 T N 3.332 117.872 114.554 -0.022 0.000 4.269 2 T HA -0.401 nan 4.350 nan 0.000 0.226 2 T C 0.450 175.132 174.700 -0.029 0.000 1.153 2 T CA 1.621 63.698 62.100 -0.039 0.000 1.296 2 T CB -0.983 67.862 68.868 -0.038 0.000 1.167 2 T HN -0.030 8.196 8.240 -0.023 0.000 0.643 3 A N 4.252 127.066 122.820 -0.011 0.000 2.540 3 A HA -0.397 nan 4.320 nan 0.000 0.268 3 A C 0.912 178.486 177.584 -0.017 0.000 1.061 3 A CA 1.016 53.047 52.037 -0.010 0.000 0.821 3 A CB -0.988 18.008 19.000 -0.005 0.000 0.970 3 A HN -0.128 7.986 8.150 -0.003 0.035 0.524 4 G N 3.556 112.343 108.800 -0.022 0.000 2.279 4 G HA2 -0.366 nan 3.960 nan 0.000 0.223 4 G HA3 -0.366 nan 3.960 nan 0.000 0.223 4 G C -0.696 174.187 174.900 -0.028 0.000 1.015 4 G CA -0.272 44.814 45.100 -0.024 0.000 0.621 4 G HN 0.103 8.380 8.290 -0.022 0.000 0.506 5 K N 1.243 121.623 120.400 -0.032 0.000 2.098 5 K HA 0.256 nan 4.320 nan 0.000 0.258 5 K C 0.233 176.805 176.600 -0.048 0.000 0.973 5 K CA -1.192 55.074 56.287 -0.036 0.000 0.898 5 K CB 1.544 34.023 32.500 -0.035 0.000 1.057 5 K HN -0.122 7.918 8.250 -0.033 0.190 0.447 6 V N 0.779 120.668 119.914 -0.042 0.000 2.901 6 V HA -0.007 nan 4.120 nan 0.000 0.307 6 V C 0.244 176.292 176.094 -0.076 0.000 1.084 6 V CA 0.875 63.147 62.300 -0.047 0.000 1.184 6 V CB 0.092 31.900 31.823 -0.025 0.000 0.941 6 V HN 0.242 8.412 8.190 -0.033 0.000 0.493 7 I N 7.646 128.151 120.570 -0.108 0.000 2.607 7 I HA 0.371 nan 4.170 nan 0.000 0.305 7 I C -1.536 174.515 176.117 -0.110 0.000 0.995 7 I CA -1.395 59.791 61.300 -0.189 0.000 1.148 7 I CB 3.542 41.300 38.000 -0.405 0.000 1.323 7 I HN 0.561 8.604 8.210 -0.084 0.116 0.461 8 K N 5.954 126.295 120.400 -0.097 0.000 2.502 8 K HA 0.583 nan 4.320 nan 0.000 0.254 8 K C -1.785 174.811 176.600 -0.008 0.000 0.947 8 K CA -0.990 55.285 56.287 -0.020 0.000 0.834 8 K CB 1.340 33.839 32.500 -0.001 0.000 1.112 8 K HN 0.109 8.277 8.250 -0.135 0.000 0.427 9 C N 1.893 121.222 119.300 0.048 0.000 3.323 9 C HA 0.694 nan 4.460 nan 0.000 0.324 9 C C -1.728 173.338 174.990 0.127 0.000 1.428 9 C CA -3.183 55.894 59.018 0.098 0.000 1.368 9 C CB 4.304 32.142 27.740 0.162 0.000 1.731 9 C HN 1.057 9.216 8.230 0.067 0.112 0.455 10 K N -0.112 120.388 120.400 0.166 0.000 2.174 10 K HA 0.540 nan 4.320 nan 0.000 0.275 10 K C -1.432 175.319 176.600 0.251 0.000 1.015 10 K CA -0.059 56.354 56.287 0.210 0.000 0.933 10 K CB 1.377 34.033 32.500 0.260 0.000 1.025 10 K HN 0.450 9.192 8.250 0.177 -0.385 0.463 11 A N 1.385 124.356 122.820 0.253 0.000 2.609 11 A HA 0.768 nan 4.320 nan 0.000 0.291 11 A C -2.481 175.270 177.584 0.279 0.000 1.096 11 A CA -1.294 50.917 52.037 0.290 0.000 0.684 11 A CB 4.345 23.364 19.000 0.030 0.000 1.282 11 A HN 0.262 8.532 8.150 0.200 0.000 0.412 12 A N -0.379 122.618 122.820 0.295 0.000 2.260 12 A HA 0.786 nan 4.320 nan 0.000 0.308 12 A C -1.681 175.974 177.584 0.118 0.000 1.254 12 A CA -1.318 50.776 52.037 0.095 0.000 0.874 12 A CB 0.859 19.725 19.000 -0.224 0.000 1.153 12 A HN 0.167 8.566 8.150 0.415 0.000 0.527 13 V N 3.523 123.478 119.914 0.069 0.000 2.483 13 V HA 0.523 nan 4.120 nan 0.000 0.295 13 V C -1.016 175.015 176.094 -0.105 0.000 1.035 13 V CA -1.230 60.985 62.300 -0.142 0.000 0.896 13 V CB 2.118 33.663 31.823 -0.463 0.000 0.986 13 V HN 0.734 8.878 8.190 0.095 0.102 0.447 14 L N 4.524 125.654 121.223 -0.155 0.000 2.264 14 L HA 0.346 nan 4.340 nan 0.000 0.287 14 L C -0.328 176.389 176.870 -0.255 0.000 1.039 14 L CA -0.940 53.769 54.840 -0.218 0.000 0.829 14 L CB 0.947 42.867 42.059 -0.232 0.000 1.211 14 L HN 0.325 8.459 8.230 -0.160 0.000 0.427 15 W N 4.532 125.800 121.300 -0.052 0.000 2.453 15 W HA -0.223 nan 4.660 nan 0.000 0.289 15 W C -0.737 175.762 176.519 -0.033 0.000 1.215 15 W CA 1.350 58.683 57.345 -0.022 0.000 1.297 15 W CB 0.773 30.220 29.460 -0.022 0.000 1.113 15 W HN 0.559 8.774 8.180 0.059 0.000 0.551 16 E N -5.878 114.383 120.200 0.102 0.000 2.390 16 E HA 0.202 nan 4.350 nan 0.000 0.280 16 E C -2.045 174.528 176.600 -0.045 0.000 0.992 16 E CA -1.969 54.453 56.400 0.036 0.000 0.790 16 E CB 2.212 31.949 29.700 0.061 0.000 1.248 16 E HN -0.811 7.588 8.360 0.065 0.000 0.447 17 E N -0.388 119.782 120.200 -0.049 0.000 2.437 17 E HA -0.253 nan 4.350 nan 0.000 0.263 17 E C -0.136 176.417 176.600 -0.078 0.000 1.030 17 E CA 0.795 57.149 56.400 -0.076 0.000 0.934 17 E CB 0.117 29.791 29.700 -0.043 0.000 0.943 17 E HN 0.225 8.572 8.360 -0.023 0.000 0.444 18 K N -3.262 117.073 120.400 -0.108 0.000 3.160 18 K HA -0.496 nan 4.320 nan 0.000 0.280 18 K C -1.019 175.514 176.600 -0.113 0.000 1.154 18 K CA 0.963 57.192 56.287 -0.097 0.000 0.822 18 K CB -1.244 31.225 32.500 -0.052 0.000 1.239 18 K HN 0.522 8.601 8.250 -0.131 0.093 0.489 19 K N -1.367 118.936 120.400 -0.161 0.000 2.340 19 K HA 0.469 nan 4.320 nan 0.000 0.244 19 K C -2.466 173.966 176.600 -0.280 0.000 0.973 19 K CA -3.010 53.182 56.287 -0.157 0.000 0.828 19 K CB 1.696 34.139 32.500 -0.095 0.000 1.226 19 K HN -0.714 7.383 8.250 -0.198 0.035 0.437 20 P HA 0.108 nan 4.420 nan 0.000 0.271 20 P C -0.483 176.615 177.300 -0.336 0.000 1.233 20 P CA -0.350 62.571 63.100 -0.299 0.000 0.789 20 P CB 0.497 32.117 31.700 -0.134 0.000 0.951 21 F N -0.566 119.265 119.950 -0.198 0.000 2.399 21 F HA 0.025 nan 4.527 nan 0.000 0.342 21 F C -0.054 175.682 175.800 -0.107 0.000 1.106 21 F CA 0.387 58.280 58.000 -0.180 0.000 1.196 21 F CB 0.685 39.515 39.000 -0.284 0.000 1.163 21 F HN 0.092 8.656 8.300 -0.147 -0.353 0.547 22 S N 2.647 118.455 115.700 0.181 0.000 2.472 22 S HA 0.240 nan 4.470 nan 0.000 0.303 22 S C -1.028 173.642 174.600 0.116 0.000 1.099 22 S CA -1.228 57.059 58.200 0.144 0.000 1.077 22 S CB 1.867 65.209 63.200 0.237 0.000 1.031 22 S HN 0.478 8.913 8.310 0.208 0.000 0.487 23 I N 2.842 123.446 120.570 0.056 0.000 2.471 23 I HA 0.164 nan 4.170 nan 0.000 0.286 23 I C -0.364 175.822 176.117 0.116 0.000 1.079 23 I CA -0.108 61.226 61.300 0.057 0.000 1.398 23 I CB -0.809 37.189 38.000 -0.003 0.000 1.403 23 I HN 0.528 8.761 8.210 0.038 0.000 0.530 24 E N 7.127 127.413 120.200 0.143 0.000 2.367 24 E HA 0.365 nan 4.350 nan 0.000 0.273 24 E C -1.995 174.686 176.600 0.134 0.000 0.903 24 E CA -2.798 53.698 56.400 0.159 0.000 0.764 24 E CB 4.077 33.903 29.700 0.210 0.000 1.252 24 E HN 0.394 8.843 8.360 0.148 0.000 0.446 25 E N 1.760 122.033 120.200 0.121 0.000 2.259 25 E HA 0.356 nan 4.350 nan 0.000 0.281 25 E C -1.390 175.274 176.600 0.106 0.000 1.037 25 E CA -0.113 56.349 56.400 0.103 0.000 0.854 25 E CB 0.541 30.290 29.700 0.083 0.000 1.051 25 E HN 0.273 8.708 8.360 0.124 0.000 0.409 26 V N 6.020 125.992 119.914 0.097 0.000 2.823 26 V HA 0.469 nan 4.120 nan 0.000 0.312 26 V C -1.761 174.397 176.094 0.106 0.000 1.072 26 V CA -1.606 60.754 62.300 0.099 0.000 0.937 26 V CB 4.359 36.218 31.823 0.060 0.000 1.013 26 V HN 0.832 9.078 8.190 0.095 0.000 0.430 27 E N 4.500 124.777 120.200 0.128 0.000 2.187 27 E HA 0.593 nan 4.350 nan 0.000 0.268 27 E C -1.686 175.005 176.600 0.151 0.000 0.896 27 E CA -1.643 54.816 56.400 0.098 0.000 0.766 27 E CB 3.388 33.130 29.700 0.071 0.000 1.142 27 E HN -0.137 8.312 8.360 0.148 0.000 0.408 28 V N 4.556 124.525 119.914 0.092 0.000 2.284 28 V HA 0.328 nan 4.120 nan 0.000 0.274 28 V C -0.700 175.379 176.094 -0.025 0.000 1.023 28 V CA -1.824 60.516 62.300 0.066 0.000 0.808 28 V CB 0.270 32.161 31.823 0.112 0.000 1.035 28 V HN 0.891 8.986 8.190 0.033 0.115 0.445 29 A N 8.967 131.759 122.820 -0.047 0.000 2.555 29 A HA 0.075 nan 4.320 nan 0.000 0.233 29 A C -2.053 175.496 177.584 -0.058 0.000 1.060 29 A CA -1.147 50.861 52.037 -0.049 0.000 0.759 29 A CB -0.761 18.208 19.000 -0.053 0.000 0.995 29 A HN -0.097 8.018 8.150 -0.059 0.000 0.506 30 P HA 0.113 nan 4.420 nan 0.000 0.272 30 P C -2.323 174.949 177.300 -0.047 0.000 1.223 30 P CA -1.780 61.295 63.100 -0.041 0.000 0.784 30 P CB -0.729 30.950 31.700 -0.035 0.000 0.923 31 P HA -0.031 nan 4.420 nan 0.000 0.263 31 P C -0.937 176.332 177.300 -0.052 0.000 1.195 31 P CA 0.027 63.099 63.100 -0.047 0.000 0.762 31 P CB 0.138 31.816 31.700 -0.037 0.000 0.799 32 K N 5.056 125.423 120.400 -0.055 0.000 2.583 32 K HA 0.013 nan 4.320 nan 0.000 0.266 32 K C -0.123 176.429 176.600 -0.080 0.000 1.037 32 K CA -0.754 55.498 56.287 -0.057 0.000 0.996 32 K CB 1.015 33.487 32.500 -0.047 0.000 1.307 32 K HN -0.120 8.376 8.250 -0.057 -0.281 0.502 33 A N -1.932 120.824 122.820 -0.105 0.000 2.462 33 A HA -0.119 nan 4.320 nan 0.000 0.243 33 A C 0.186 177.638 177.584 -0.219 0.000 1.076 33 A CA 0.662 52.554 52.037 -0.241 0.000 0.773 33 A CB -0.227 18.599 19.000 -0.291 0.000 1.010 33 A HN 0.227 8.332 8.150 -0.075 0.000 0.493 34 H N -1.615 117.438 119.070 -0.029 0.000 2.899 34 H HA -0.429 nan 4.556 nan 0.000 0.282 34 H C -0.978 174.327 175.328 -0.037 0.000 1.198 34 H CA 1.820 57.849 56.048 -0.031 0.000 1.140 34 H CB -2.474 27.268 29.762 -0.033 0.000 1.317 34 H HN 0.133 8.109 8.280 -0.507 0.000 0.375 35 E N -3.575 116.629 120.200 0.007 0.000 2.235 35 E HA 0.838 nan 4.350 nan 0.000 0.265 35 E C -1.776 174.816 176.600 -0.013 0.000 0.940 35 E CA -1.390 55.005 56.400 -0.008 0.000 0.819 35 E CB 4.022 33.703 29.700 -0.032 0.000 1.206 35 E HN -0.782 7.514 8.360 -0.041 0.039 0.409 36 V N -3.978 115.931 119.914 -0.009 0.000 2.925 36 V HA 0.837 nan 4.120 nan 0.000 0.311 36 V C -2.550 173.543 176.094 -0.002 0.000 1.104 36 V CA -2.741 59.555 62.300 -0.006 0.000 0.954 36 V CB 3.712 35.533 31.823 -0.003 0.000 1.022 36 V HN 0.471 8.655 8.190 -0.009 0.000 0.427 37 R N 3.234 123.739 120.500 0.009 0.000 2.393 37 R HA 0.849 nan 4.340 nan 0.000 0.315 37 R C -1.404 174.916 176.300 0.033 0.000 0.952 37 R CA -1.704 54.416 56.100 0.032 0.000 0.842 37 R CB 2.896 33.226 30.300 0.050 0.000 1.163 37 R HN 0.225 8.501 8.270 0.010 0.000 0.450 38 I N 6.082 126.654 120.570 0.003 0.000 2.498 38 I HA 0.467 nan 4.170 nan 0.000 0.301 38 I C -1.640 174.344 176.117 -0.221 0.000 0.984 38 I CA -1.126 60.129 61.300 -0.074 0.000 1.204 38 I CB 2.262 40.215 38.000 -0.079 0.000 1.362 38 I HN 0.959 9.070 8.210 0.014 0.107 0.471 39 K N 5.239 125.429 120.400 -0.350 0.000 2.281 39 K HA 0.285 nan 4.320 nan 0.000 0.272 39 K C -0.856 175.438 176.600 -0.509 0.000 1.048 39 K CA -1.819 54.042 56.287 -0.710 0.000 0.898 39 K CB 1.507 33.641 32.500 -0.610 0.000 1.128 39 K HN 0.638 8.638 8.250 -0.230 0.111 0.460 40 M N 5.796 125.007 119.600 -0.648 0.000 2.248 40 M HA -0.091 nan 4.480 nan 0.000 0.345 40 M C -0.043 175.976 176.300 -0.469 0.000 1.243 40 M CA 0.815 55.718 55.300 -0.662 0.000 1.090 40 M CB -0.819 31.038 32.600 -1.238 0.000 1.683 40 M HN 0.071 7.879 8.290 -0.804 0.000 0.450 41 V N 3.032 122.860 119.914 -0.143 0.000 3.307 41 V HA 0.269 nan 4.120 nan 0.000 0.244 41 V C -1.672 174.584 176.094 0.271 0.000 1.196 41 V CA 0.714 63.050 62.300 0.060 0.000 1.132 41 V CB 2.190 34.021 31.823 0.014 0.000 0.875 41 V HN 0.176 8.295 8.190 -0.119 0.000 0.468 42 A N -3.454 119.537 122.820 0.285 0.000 2.555 42 A HA 0.458 nan 4.320 nan 0.000 0.297 42 A C -3.047 174.696 177.584 0.266 0.000 1.060 42 A CA -0.041 52.156 52.037 0.267 0.000 0.710 42 A CB 2.576 21.651 19.000 0.124 0.000 1.282 42 A HN -0.701 7.549 8.150 0.168 0.000 0.399 43 T N 3.011 117.736 114.554 0.286 0.000 2.886 43 T HA 0.793 nan 4.350 nan 0.000 0.292 43 T C -1.093 173.712 174.700 0.175 0.000 1.012 43 T CA -1.323 60.939 62.100 0.269 0.000 0.982 43 T CB 3.049 72.217 68.868 0.500 0.000 1.018 43 T HN 0.402 8.774 8.240 0.220 0.000 0.451 44 G N 5.458 114.317 108.800 0.099 0.000 2.425 44 G HA2 0.849 nan 3.960 nan 0.000 0.302 44 G HA3 0.849 nan 3.960 nan 0.000 0.302 44 G C -1.191 173.732 174.900 0.038 0.000 1.159 44 G CA -1.798 43.329 45.100 0.045 0.000 0.865 44 G HN 0.442 8.774 8.290 0.071 0.000 0.515 45 I N 1.717 122.265 120.570 -0.037 0.000 2.304 45 I HA 0.068 nan 4.170 nan 0.000 0.291 45 I C -1.215 174.806 176.117 -0.161 0.000 1.018 45 I CA -0.496 60.719 61.300 -0.141 0.000 1.260 45 I CB 0.524 38.276 38.000 -0.414 0.000 1.390 45 I HN 0.204 8.381 8.210 -0.054 0.000 0.475 46 C N 8.399 127.622 119.300 -0.128 0.000 2.397 46 C HA 0.356 nan 4.460 nan 0.000 0.343 46 C C 1.163 176.126 174.990 -0.046 0.000 1.188 46 C CA -1.984 57.001 59.018 -0.057 0.000 1.992 46 C CB 2.670 30.408 27.740 -0.004 0.000 2.358 46 C HN -0.025 8.344 8.230 -0.120 -0.212 0.518 47 R N 4.697 125.163 120.500 -0.056 0.000 2.159 47 R HA -0.300 nan 4.340 nan 0.000 0.237 47 R C 1.095 177.272 176.300 -0.206 0.000 1.131 47 R CA 2.803 58.816 56.100 -0.145 0.000 0.982 47 R CB -0.231 29.967 30.300 -0.169 0.000 0.868 47 R HN 0.670 8.916 8.270 -0.040 0.000 0.453 48 S N -2.031 113.673 115.700 0.007 0.000 2.469 48 S HA -0.226 nan 4.470 nan 0.000 0.238 48 S C 1.516 176.283 174.600 0.280 0.000 0.998 48 S CA 3.076 61.382 58.200 0.177 0.000 0.957 48 S CB -0.641 62.693 63.200 0.223 0.000 0.764 48 S HN -0.523 7.820 8.310 0.074 0.011 0.514 49 D N 1.252 121.805 120.400 0.256 0.000 2.162 49 D HA 0.008 nan 4.640 nan 0.000 0.205 49 D C 1.324 177.814 176.300 0.317 0.000 0.964 49 D CA 2.886 57.038 54.000 0.252 0.000 0.847 49 D CB 0.036 41.056 40.800 0.367 0.000 0.988 49 D HN -0.530 7.786 8.370 0.196 0.172 0.480 50 D N -0.341 120.285 120.400 0.377 0.000 2.178 50 D HA -0.227 nan 4.640 nan 0.000 0.202 50 D C 1.965 178.370 176.300 0.174 0.000 0.974 50 D CA 2.654 56.859 54.000 0.342 0.000 0.841 50 D CB 0.271 41.264 40.800 0.321 0.000 0.953 50 D HN -0.868 7.599 8.370 0.294 0.079 0.478 51 H N -1.541 117.623 119.070 0.156 0.000 2.422 51 H HA -0.179 nan 4.556 nan 0.000 0.298 51 H C 2.802 178.173 175.328 0.072 0.000 1.098 51 H CA 2.610 58.720 56.048 0.105 0.000 1.315 51 H CB -0.221 29.608 29.762 0.111 0.000 1.382 51 H HN 0.136 8.330 8.280 0.042 0.112 0.523 52 V N -0.799 119.218 119.914 0.171 0.000 2.343 52 V HA -0.262 nan 4.120 nan 0.000 0.247 52 V C 2.425 178.520 176.094 0.002 0.000 1.051 52 V CA 3.953 66.286 62.300 0.056 0.000 1.036 52 V CB -0.784 30.980 31.823 -0.099 0.000 0.654 52 V HN -0.476 7.687 8.190 0.175 0.132 0.451 53 V N -0.200 119.704 119.914 -0.017 0.000 2.453 53 V HA -0.277 nan 4.120 nan 0.000 0.247 53 V C 1.776 177.840 176.094 -0.049 0.000 1.048 53 V CA 3.440 65.675 62.300 -0.108 0.000 1.049 53 V CB -0.905 30.793 31.823 -0.208 0.000 0.672 53 V HN -0.663 7.422 8.190 0.036 0.127 0.457 54 S N -3.152 112.560 115.700 0.020 0.000 2.522 54 S HA -0.207 nan 4.470 nan 0.000 0.227 54 S C 0.984 175.597 174.600 0.022 0.000 0.986 54 S CA 2.451 60.668 58.200 0.027 0.000 0.929 54 S CB 0.083 63.325 63.200 0.070 0.000 0.769 54 S HN -0.202 8.147 8.310 0.065 0.000 0.529 55 G N -0.069 108.746 108.800 0.025 0.000 2.258 55 G HA2 -0.382 nan 3.960 nan 0.000 0.233 55 G HA3 -0.382 nan 3.960 nan 0.000 0.233 55 G C 0.957 175.873 174.900 0.026 0.000 1.006 55 G CA 1.220 46.331 45.100 0.018 0.000 0.620 55 G HN -0.678 7.462 8.290 0.030 0.168 0.511 56 T N 3.004 117.579 114.554 0.035 0.000 2.597 56 T HA -0.335 nan 4.350 nan 0.000 0.267 56 T C 0.674 175.376 174.700 0.003 0.000 1.053 56 T CA 3.170 65.273 62.100 0.004 0.000 1.165 56 T CB 0.118 68.988 68.868 0.003 0.000 0.863 56 T HN -0.049 8.128 8.240 0.050 0.093 0.427 57 L N 1.618 122.878 121.223 0.061 0.000 2.283 57 L HA 0.039 nan 4.340 nan 0.000 0.287 57 L C -1.474 175.449 176.870 0.088 0.000 1.073 57 L CA -0.620 54.273 54.840 0.089 0.000 0.822 57 L CB 0.949 43.120 42.059 0.188 0.000 1.186 57 L HN -0.352 7.833 8.230 0.106 0.108 0.436 58 V N 7.892 127.842 119.914 0.059 0.000 2.432 58 V HA 0.105 nan 4.120 nan 0.000 0.271 58 V C -0.791 175.342 176.094 0.065 0.000 1.046 58 V CA 0.342 62.669 62.300 0.046 0.000 0.945 58 V CB 0.002 31.839 31.823 0.022 0.000 0.992 58 V HN 0.138 8.354 8.190 0.044 0.000 0.471 59 T N 7.711 122.304 114.554 0.066 0.000 2.868 59 T HA 0.483 nan 4.350 nan 0.000 0.306 59 T C -2.923 171.768 174.700 -0.016 0.000 1.224 59 T CA -2.878 59.267 62.100 0.074 0.000 1.012 59 T CB 1.485 70.490 68.868 0.228 0.000 1.221 59 T HN 0.045 8.314 8.240 0.047 0.000 0.499 60 P HA 0.124 nan 4.420 nan 0.000 0.267 60 P C -1.582 175.563 177.300 -0.258 0.000 1.205 60 P CA -0.133 62.758 63.100 -0.348 0.000 0.765 60 P CB 0.566 31.791 31.700 -0.792 0.000 0.828 61 L N 2.027 123.189 121.223 -0.101 0.000 2.334 61 L HA 0.442 nan 4.340 nan 0.000 0.272 61 L C -1.243 175.729 176.870 0.170 0.000 1.020 61 L CA -3.169 51.690 54.840 0.033 0.000 0.812 61 L CB 0.986 43.055 42.059 0.016 0.000 1.264 61 L HN -0.104 8.067 8.230 -0.098 0.000 0.439 62 P HA 0.276 nan 4.420 nan 0.000 0.274 62 P C -2.538 174.755 177.300 -0.012 0.000 1.231 62 P CA -0.494 62.567 63.100 -0.065 0.000 0.790 62 P CB 0.883 32.366 31.700 -0.363 0.000 0.951 63 V N 0.584 120.440 119.914 -0.096 0.000 3.007 63 V HA 0.708 nan 4.120 nan 0.000 0.311 63 V C -1.925 174.114 176.094 -0.090 0.000 1.120 63 V CA -2.116 60.176 62.300 -0.013 0.000 0.980 63 V CB 4.359 36.197 31.823 0.025 0.000 1.033 63 V HN -0.037 8.044 8.190 -0.182 0.000 0.429 64 I N 5.490 126.008 120.570 -0.086 0.000 2.328 64 I HA 0.479 nan 4.170 nan 0.000 0.287 64 I C -1.229 174.882 176.117 -0.010 0.000 1.012 64 I CA -1.195 60.048 61.300 -0.096 0.000 1.195 64 I CB 1.214 38.995 38.000 -0.366 0.000 1.350 64 I HN 0.032 8.222 8.210 -0.034 0.000 0.464 65 A N 7.821 130.636 122.820 -0.008 0.000 2.768 65 A HA 0.129 nan 4.320 nan 0.000 0.239 65 A C -0.667 176.592 177.584 -0.542 0.000 1.794 65 A CA -0.563 51.282 52.037 -0.320 0.000 0.853 65 A CB 0.730 19.630 19.000 -0.166 0.000 1.725 65 A HN 0.621 8.885 8.150 0.191 0.000 0.648 66 G N -2.629 105.528 108.800 -1.073 0.000 2.999 66 G HA2 -0.223 nan 3.960 nan 0.000 0.686 66 G HA3 -0.223 nan 3.960 nan 0.000 0.686 66 G C -0.454 174.355 174.900 -0.152 0.000 1.057 66 G CA 0.131 44.587 45.100 -1.074 0.000 0.784 66 G HN -0.184 7.674 8.290 -0.916 -0.118 0.575 67 H N -2.078 116.954 119.070 -0.065 0.000 3.943 67 H HA 0.020 nan 4.556 nan 0.000 0.265 67 H C -1.635 173.749 175.328 0.092 0.000 1.133 67 H CA -0.168 55.915 56.048 0.057 0.000 1.188 67 H CB 1.741 31.509 29.762 0.010 0.000 1.486 67 H HN 0.463 8.390 8.280 -0.589 0.000 0.795 68 E N 2.247 122.306 120.200 -0.234 0.000 2.014 68 E HA 0.072 nan 4.350 nan 0.000 0.275 68 E C -2.384 174.237 176.600 0.035 0.000 0.997 68 E CA -1.009 55.387 56.400 -0.007 0.000 0.804 68 E CB 0.305 29.971 29.700 -0.056 0.000 1.090 68 E HN -0.020 8.091 8.360 -0.415 0.000 0.401 69 A N 4.862 127.722 122.820 0.068 0.000 2.608 69 A HA 0.592 nan 4.320 nan 0.000 0.292 69 A C -2.369 175.238 177.584 0.038 0.000 1.066 69 A CA -0.615 51.455 52.037 0.056 0.000 0.676 69 A CB 3.260 22.287 19.000 0.045 0.000 1.277 69 A HN -0.218 7.987 8.150 0.092 0.000 0.413 70 A N -0.557 122.279 122.820 0.027 0.000 2.413 70 A HA 0.907 nan 4.320 nan 0.000 0.307 70 A C -1.909 175.662 177.584 -0.022 0.000 1.087 70 A CA -1.841 50.201 52.037 0.007 0.000 0.750 70 A CB 3.140 22.150 19.000 0.015 0.000 1.296 70 A HN -0.116 8.058 8.150 0.040 0.000 0.423 71 G N -1.239 107.532 108.800 -0.048 0.000 2.871 71 G HA2 0.827 nan 3.960 nan 0.000 0.282 71 G HA3 0.827 nan 3.960 nan 0.000 0.282 71 G C -2.690 172.164 174.900 -0.077 0.000 1.212 71 G CA -0.153 44.891 45.100 -0.094 0.000 0.812 71 G HN 0.396 8.665 8.290 -0.034 0.000 0.547 72 I N -1.591 118.917 120.570 -0.103 0.000 2.569 72 I HA 0.529 nan 4.170 nan 0.000 0.290 72 I C -0.867 175.209 176.117 -0.068 0.000 1.088 72 I CA -1.939 59.320 61.300 -0.069 0.000 1.047 72 I CB 3.513 41.476 38.000 -0.060 0.000 1.237 72 I HN 0.509 8.517 8.210 -0.155 0.110 0.421 73 V N 7.422 127.313 119.914 -0.038 0.000 2.479 73 V HA -0.049 nan 4.120 nan 0.000 0.281 73 V C -0.013 176.078 176.094 -0.005 0.000 1.031 73 V CA 1.410 63.697 62.300 -0.022 0.000 1.038 73 V CB -1.255 30.561 31.823 -0.011 0.000 0.981 73 V HN 0.772 8.944 8.190 -0.028 0.000 0.478 74 E N 9.324 129.535 120.200 0.018 0.000 2.062 74 E HA 0.073 nan 4.350 nan 0.000 0.196 74 E C -0.501 176.125 176.600 0.042 0.000 0.949 74 E CA 0.441 56.877 56.400 0.060 0.000 0.889 74 E CB 1.905 31.697 29.700 0.154 0.000 0.928 74 E HN 0.379 8.750 8.360 0.017 0.000 0.476 75 S N -2.174 113.549 115.700 0.039 0.000 2.681 75 S HA 0.258 nan 4.470 nan 0.000 0.299 75 S C -1.300 173.302 174.600 0.003 0.000 1.113 75 S CA -1.378 56.830 58.200 0.014 0.000 1.013 75 S CB 1.999 65.203 63.200 0.006 0.000 1.076 75 S HN -0.485 7.858 8.310 0.055 0.000 0.534 76 I N -4.279 116.286 120.570 -0.008 0.000 2.436 76 I HA 0.516 nan 4.170 nan 0.000 0.289 76 I C -0.008 176.090 176.117 -0.032 0.000 1.010 76 I CA -1.829 59.461 61.300 -0.016 0.000 1.098 76 I CB 2.257 40.248 38.000 -0.014 0.000 1.266 76 I HN 0.075 8.279 8.210 -0.010 0.000 0.434 77 G N 3.894 112.667 108.800 -0.044 0.000 2.667 77 G HA2 -0.043 nan 3.960 nan 0.000 0.250 77 G HA3 -0.043 nan 3.960 nan 0.000 0.250 77 G C -1.383 173.456 174.900 -0.102 0.000 1.212 77 G CA -0.928 44.130 45.100 -0.071 0.000 0.874 77 G HN 0.172 8.440 8.290 -0.037 0.000 0.561 78 E N -0.063 120.060 120.200 -0.128 0.000 2.415 78 E HA -0.254 nan 4.350 nan 0.000 0.260 78 E C 0.541 176.980 176.600 -0.270 0.000 1.016 78 E CA 1.096 57.406 56.400 -0.151 0.000 0.924 78 E CB 0.172 29.797 29.700 -0.125 0.000 0.961 78 E HN 0.331 8.622 8.360 -0.115 0.000 0.459 79 G N 3.320 112.005 108.800 -0.191 0.000 2.207 79 G HA2 -0.378 nan 3.960 nan 0.000 0.216 79 G HA3 -0.378 nan 3.960 nan 0.000 0.216 79 G C -2.192 172.673 174.900 -0.058 0.000 1.053 79 G CA 0.107 45.096 45.100 -0.183 0.000 0.764 79 G HN 0.396 8.617 8.290 -0.115 0.000 0.495 80 V N 0.239 120.138 119.914 -0.025 0.000 2.443 80 V HA 0.381 nan 4.120 nan 0.000 0.293 80 V C -0.415 175.690 176.094 0.018 0.000 1.021 80 V CA -1.245 61.070 62.300 0.026 0.000 0.848 80 V CB 1.394 33.219 31.823 0.003 0.000 0.998 80 V HN -0.332 7.830 8.190 -0.047 0.000 0.424 81 T N 6.183 120.758 114.554 0.035 0.000 2.953 81 T HA 0.096 nan 4.350 nan 0.000 0.247 81 T C 1.396 176.105 174.700 0.015 0.000 1.029 81 T CA 2.094 64.209 62.100 0.024 0.000 1.144 81 T CB 0.268 69.155 68.868 0.031 0.000 0.870 81 T HN 0.166 8.614 8.240 0.058 -0.174 0.446 82 T N 1.142 115.706 114.554 0.017 0.000 3.035 82 T HA -0.079 nan 4.350 nan 0.000 0.268 82 T C -0.011 174.693 174.700 0.006 0.000 1.109 82 T CA 1.902 64.008 62.100 0.010 0.000 1.119 82 T CB 0.376 69.249 68.868 0.008 0.000 0.900 82 T HN 0.081 8.705 8.240 0.024 -0.369 0.503 83 V N -6.196 113.722 119.914 0.006 0.000 3.188 83 V HA 0.606 nan 4.120 nan 0.000 0.305 83 V C -2.059 174.035 176.094 0.001 0.000 1.232 83 V CA -2.581 59.721 62.300 0.002 0.000 1.043 83 V CB 3.583 35.406 31.823 0.000 0.000 1.068 83 V HN -0.693 7.435 8.190 0.008 0.067 0.439 84 R N 0.457 120.957 120.500 -0.001 0.000 2.707 84 R HA 0.610 nan 4.340 nan 0.000 0.272 84 R C -3.249 173.050 176.300 -0.002 0.000 1.011 84 R CA -3.478 52.621 56.100 -0.002 0.000 0.893 84 R CB 3.453 33.753 30.300 -0.001 0.000 1.233 84 R HN 0.404 8.877 8.270 -0.001 -0.204 0.464 85 P HA -0.055 nan 4.420 nan 0.000 0.265 85 P C -0.304 176.996 177.300 0.000 0.000 1.193 85 P CA 0.632 63.733 63.100 0.001 0.000 0.765 85 P CB -0.186 31.517 31.700 0.005 0.000 0.823 86 G N 4.710 113.508 108.800 -0.002 0.000 2.176 86 G HA2 -0.361 nan 3.960 nan 0.000 0.232 86 G HA3 -0.361 nan 3.960 nan 0.000 0.232 86 G C -0.421 174.475 174.900 -0.006 0.000 0.986 86 G CA -0.193 44.904 45.100 -0.004 0.000 0.643 86 G HN 0.624 8.791 8.290 -0.005 0.121 0.522 87 D N 2.304 122.700 120.400 -0.006 0.000 2.350 87 D HA 0.066 nan 4.640 nan 0.000 0.249 87 D C -0.518 175.776 176.300 -0.010 0.000 1.119 87 D CA 0.351 54.348 54.000 -0.005 0.000 0.886 87 D CB 0.629 41.427 40.800 -0.004 0.000 1.195 87 D HN -0.602 7.684 8.370 -0.006 0.080 0.437 88 K N 1.063 121.460 120.400 -0.005 0.000 2.326 88 K HA 0.393 nan 4.320 nan 0.000 0.275 88 K C -0.865 175.733 176.600 -0.003 0.000 1.018 88 K CA 0.669 56.953 56.287 -0.005 0.000 0.962 88 K CB 0.384 32.887 32.500 0.005 0.000 0.953 88 K HN 0.385 8.634 8.250 -0.001 0.000 0.475 89 V N -3.987 115.922 119.914 -0.009 0.000 3.159 89 V HA 0.862 nan 4.120 nan 0.000 0.308 89 V C -1.705 174.386 176.094 -0.004 0.000 1.190 89 V CA -2.384 59.913 62.300 -0.007 0.000 1.037 89 V CB 3.900 35.714 31.823 -0.015 0.000 1.060 89 V HN 0.016 8.197 8.190 -0.015 0.000 0.437 90 I N -0.939 119.631 120.570 0.001 0.000 2.439 90 I HA 0.574 nan 4.170 nan 0.000 0.285 90 I C -2.393 173.721 176.117 -0.005 0.000 1.021 90 I CA -3.599 57.706 61.300 0.009 0.000 1.091 90 I CB 2.201 40.217 38.000 0.028 0.000 1.242 90 I HN 0.502 8.711 8.210 -0.000 0.000 0.439 91 P HA -0.021 nan 4.420 nan 0.000 0.264 91 P C -1.500 175.784 177.300 -0.027 0.000 1.179 91 P CA 0.347 63.447 63.100 -0.001 0.000 0.763 91 P CB -0.015 31.702 31.700 0.028 0.000 0.806 92 L N 2.219 123.392 121.223 -0.083 0.000 2.316 92 L HA 0.283 nan 4.340 nan 0.000 0.280 92 L C -0.057 176.669 176.870 -0.239 0.000 1.006 92 L CA -1.075 53.623 54.840 -0.237 0.000 0.836 92 L CB 0.860 42.753 42.059 -0.276 0.000 1.221 92 L HN 0.385 8.495 8.230 -0.065 0.081 0.418 93 F N 0.649 120.465 119.950 -0.223 0.000 2.502 93 F HA -0.042 nan 4.527 nan 0.000 0.298 93 F C -0.837 174.805 175.800 -0.263 0.000 1.111 93 F CA 0.855 58.723 58.000 -0.219 0.000 1.445 93 F CB -0.077 38.792 39.000 -0.218 0.000 1.081 93 F HN 0.080 8.285 8.300 -0.159 0.000 0.558 94 T N 2.325 116.311 114.554 -0.947 0.000 2.781 94 T HA 0.411 nan 4.350 nan 0.000 0.305 94 T C -1.727 172.723 174.700 -0.417 0.000 1.001 94 T CA -2.566 59.176 62.100 -0.597 0.000 0.950 94 T CB 0.472 68.978 68.868 -0.603 0.000 0.955 94 T HN -0.325 7.026 8.240 -1.481 0.000 0.471 95 P HA 0.098 nan 4.420 nan 0.000 0.273 95 P C -1.357 175.850 177.300 -0.155 0.000 1.250 95 P CA -0.529 62.451 63.100 -0.201 0.000 0.793 95 P CB 0.782 32.381 31.700 -0.169 0.000 1.011 96 Q N -0.747 118.989 119.800 -0.106 0.000 3.122 96 Q HA 0.242 nan 4.340 nan 0.000 0.282 96 Q C 0.802 176.766 176.000 -0.059 0.000 0.947 96 Q CA -1.064 54.699 55.803 -0.066 0.000 0.812 96 Q CB 0.256 28.974 28.738 -0.034 0.000 1.333 96 Q HN 0.083 8.292 8.270 -0.102 0.000 0.430 97 C N -0.500 118.758 119.300 -0.071 0.000 2.434 97 C HA -0.006 nan 4.460 nan 0.000 0.298 97 C C 1.428 176.388 174.990 -0.050 0.000 1.495 97 C CA -0.109 58.868 59.018 -0.067 0.000 1.756 97 C CB -1.313 26.382 27.740 -0.074 0.000 1.647 97 C HN 0.683 8.860 8.230 -0.089 0.000 0.579 98 G N 2.712 111.492 108.800 -0.033 0.000 2.746 98 G HA2 -0.500 nan 3.960 nan 0.000 0.236 98 G HA3 -0.500 nan 3.960 nan 0.000 0.236 98 G C 0.317 175.207 174.900 -0.016 0.000 1.172 98 G CA 1.979 47.066 45.100 -0.021 0.000 0.736 98 G HN 0.434 8.615 8.290 -0.029 0.091 0.519 99 K N 0.705 121.090 120.400 -0.025 0.000 2.374 99 K HA 0.200 nan 4.320 nan 0.000 0.196 99 K C -0.763 175.831 176.600 -0.011 0.000 1.023 99 K CA -0.670 55.605 56.287 -0.019 0.000 1.103 99 K CB 0.594 33.076 32.500 -0.030 0.000 0.848 99 K HN 0.083 8.237 8.250 -0.037 0.074 0.528 100 C N -3.823 115.472 119.300 -0.008 0.000 2.451 100 C HA 0.331 nan 4.460 nan 0.000 0.391 100 C C 1.377 176.378 174.990 0.018 0.000 1.286 100 C CA -3.594 55.423 59.018 -0.002 0.000 1.935 100 C CB 3.188 30.919 27.740 -0.015 0.000 2.188 100 C HN -0.763 7.466 8.230 -0.002 0.000 0.523 101 R N 0.982 121.495 120.500 0.022 0.000 2.196 101 R HA -0.473 nan 4.340 nan 0.000 0.244 101 R C 1.927 178.266 176.300 0.064 0.000 1.121 101 R CA 3.646 59.769 56.100 0.039 0.000 0.930 101 R CB -0.385 29.930 30.300 0.025 0.000 0.890 101 R HN 0.527 8.804 8.270 0.012 0.000 0.435 102 V N -2.538 117.404 119.914 0.047 0.000 2.626 102 V HA -0.111 nan 4.120 nan 0.000 0.252 102 V C 1.892 178.038 176.094 0.085 0.000 1.067 102 V CA 2.636 64.973 62.300 0.061 0.000 1.081 102 V CB -0.807 31.050 31.823 0.055 0.000 0.686 102 V HN -0.086 8.122 8.190 0.030 0.000 0.468 103 C N -1.507 117.826 119.300 0.056 0.000 2.485 103 C HA -0.132 nan 4.460 nan 0.000 0.277 103 C C 1.840 176.866 174.990 0.059 0.000 1.376 103 C CA 2.313 61.360 59.018 0.049 0.000 1.759 103 C CB -1.452 26.298 27.740 0.016 0.000 1.970 103 C HN -0.213 7.843 8.230 0.044 0.201 0.509 104 K N -2.111 118.327 120.400 0.064 0.000 2.243 104 K HA -0.043 nan 4.320 nan 0.000 0.201 104 K C 0.632 177.274 176.600 0.070 0.000 1.051 104 K CA 0.751 57.070 56.287 0.053 0.000 0.970 104 K CB -0.001 32.523 32.500 0.039 0.000 0.755 104 K HN -0.299 7.990 8.250 0.066 0.000 0.465 105 H N 4.674 123.757 119.070 0.021 0.000 3.091 105 H HA 0.158 nan 4.556 nan 0.000 0.289 105 H C -0.483 174.862 175.328 0.027 0.000 0.995 105 H CA -1.077 54.985 56.048 0.023 0.000 1.461 105 H CB 1.237 31.015 29.762 0.025 0.000 1.510 105 H HN -0.737 7.663 8.280 0.200 0.000 0.546 106 P HA -0.168 nan 4.420 nan 0.000 0.234 106 P C -0.110 177.222 177.300 0.053 0.000 1.162 106 P CA 1.523 64.573 63.100 -0.083 0.000 0.759 106 P CB -0.022 31.599 31.700 -0.132 0.000 0.813 107 E N -3.899 116.470 120.200 0.282 0.000 2.676 107 E HA 0.187 nan 4.350 nan 0.000 0.225 107 E C -0.291 176.438 176.600 0.215 0.000 0.944 107 E CA -0.527 56.017 56.400 0.240 0.000 1.156 107 E CB 2.104 31.934 29.700 0.217 0.000 1.117 107 E HN -0.345 8.274 8.360 0.613 0.108 0.523 108 G N 0.579 109.539 108.800 0.267 0.000 2.377 108 G HA2 0.116 nan 3.960 nan 0.000 0.299 108 G HA3 0.116 nan 3.960 nan 0.000 0.299 108 G C -1.581 173.399 174.900 0.132 0.000 1.150 108 G CA -0.250 44.910 45.100 0.100 0.000 0.847 108 G HN 0.046 8.544 8.290 0.346 0.000 0.501 109 N N 2.304 121.089 118.700 0.141 0.000 2.211 109 N HA -0.034 nan 4.740 nan 0.000 0.216 109 N C -0.822 174.791 175.510 0.171 0.000 1.240 109 N CA 0.105 53.251 53.050 0.160 0.000 0.895 109 N CB 1.273 39.876 38.487 0.193 0.000 1.102 109 N HN 0.216 8.678 8.380 0.137 0.000 0.498 110 F N 2.728 122.692 119.950 0.024 0.000 2.651 110 F HA -0.006 nan 4.527 nan 0.000 0.347 110 F C -0.730 175.063 175.800 -0.011 0.000 1.284 110 F CA -0.895 57.108 58.000 0.005 0.000 1.175 110 F CB -1.210 37.792 39.000 0.002 0.000 1.542 110 F HN -0.681 7.792 8.300 0.288 0.000 0.661 111 C N 7.099 126.294 119.300 -0.174 0.000 2.563 111 C HA -0.182 nan 4.460 nan 0.000 0.411 111 C C 0.966 175.794 174.990 -0.271 0.000 1.386 111 C CA -0.173 58.736 59.018 -0.182 0.000 1.703 111 C CB 0.429 28.063 27.740 -0.176 0.000 2.596 111 C HN 0.161 8.282 8.230 -0.139 0.025 0.605 112 L N 6.506 127.648 121.223 -0.136 0.000 2.784 112 L HA -0.213 nan 4.340 nan 0.000 0.247 112 L C 0.322 177.110 176.870 -0.137 0.000 1.162 112 L CA 1.676 56.444 54.840 -0.120 0.000 0.881 112 L CB -0.691 41.337 42.059 -0.051 0.000 1.032 112 L HN 0.530 8.717 8.230 -0.072 0.000 0.446 113 K N -2.279 118.018 120.400 -0.172 0.000 2.537 113 K HA 0.080 nan 4.320 nan 0.000 0.206 113 K C -0.670 175.815 176.600 -0.191 0.000 1.041 113 K CA -1.338 54.861 56.287 -0.145 0.000 1.090 113 K CB -0.050 32.378 32.500 -0.119 0.000 0.833 113 K HN -0.555 7.471 8.250 -0.220 0.092 0.493 114 N N 0.554 119.077 118.700 -0.295 0.000 2.482 114 N HA -0.059 nan 4.740 nan 0.000 0.260 114 N C -0.375 175.011 175.510 -0.207 0.000 1.236 114 N CA 0.289 53.126 53.050 -0.354 0.000 0.938 114 N CB 0.608 38.633 38.487 -0.770 0.000 1.128 114 N HN -0.595 7.512 8.380 -0.326 0.078 0.448 115 D N -0.214 120.095 120.400 -0.151 0.000 2.501 115 D HA 0.196 nan 4.640 nan 0.000 0.226 115 D C 0.307 176.564 176.300 -0.070 0.000 1.198 115 D CA -0.513 53.430 54.000 -0.094 0.000 0.830 115 D CB 0.319 41.068 40.800 -0.086 0.000 1.014 115 D HN 0.370 8.644 8.370 -0.159 0.000 0.496 116 L N -1.451 119.748 121.223 -0.040 0.000 2.145 116 L HA -0.100 nan 4.340 nan 0.000 0.201 116 L C 1.376 178.294 176.870 0.080 0.000 1.075 116 L CA 2.170 57.033 54.840 0.039 0.000 0.773 116 L CB 0.456 42.613 42.059 0.162 0.000 0.936 116 L HN -0.533 7.790 8.230 -0.076 -0.138 0.451 117 S N 0.449 116.222 115.700 0.121 0.000 2.365 117 S HA -0.288 nan 4.470 nan 0.000 0.225 117 S C 0.329 174.962 174.600 0.054 0.000 1.039 117 S CA 3.370 61.641 58.200 0.119 0.000 1.033 117 S CB 0.203 63.480 63.200 0.129 0.000 0.887 117 S HN -0.244 8.486 8.310 0.107 -0.356 0.447 118 M N -0.360 119.257 119.600 0.029 0.000 2.067 118 M HA 0.283 nan 4.480 nan 0.000 0.214 118 M C -3.029 173.277 176.300 0.010 0.000 0.891 118 M CA -2.245 53.066 55.300 0.017 0.000 0.697 118 M CB 1.720 34.327 32.600 0.011 0.000 1.616 118 M HN -0.426 7.875 8.290 0.019 0.000 0.354 119 P HA -0.083 nan 4.420 nan 0.000 0.263 119 P C -1.790 175.516 177.300 0.011 0.000 1.195 119 P CA -0.003 63.105 63.100 0.013 0.000 0.762 119 P CB 0.349 32.072 31.700 0.038 0.000 0.799 120 R N 3.450 123.962 120.500 0.018 0.000 2.225 120 R HA 0.137 nan 4.340 nan 0.000 0.194 120 R C 0.430 176.770 176.300 0.067 0.000 0.957 120 R CA -0.273 55.845 56.100 0.031 0.000 1.042 120 R CB 1.102 31.423 30.300 0.034 0.000 1.004 120 R HN 0.188 8.943 8.270 0.014 -0.477 0.509 121 G N -0.229 108.633 108.800 0.103 0.000 2.272 121 G HA2 -0.272 nan 3.960 nan 0.000 0.280 121 G HA3 -0.272 nan 3.960 nan 0.000 0.280 121 G C -1.769 173.320 174.900 0.316 0.000 1.067 121 G CA 0.189 45.420 45.100 0.219 0.000 0.902 121 G HN -0.322 8.400 8.290 0.072 -0.389 0.500 122 T N -6.037 108.613 114.554 0.159 0.000 2.812 122 T HA 0.718 nan 4.350 nan 0.000 0.294 122 T C -1.127 173.502 174.700 -0.118 0.000 1.159 122 T CA -2.359 59.773 62.100 0.052 0.000 1.008 122 T CB 3.917 72.814 68.868 0.048 0.000 1.289 122 T HN -0.922 7.375 8.240 0.094 0.000 0.514 123 M N -0.641 118.792 119.600 -0.277 0.000 2.198 123 M HA 0.098 nan 4.480 nan 0.000 0.315 123 M C 2.061 178.281 176.300 -0.133 0.000 1.134 123 M CA -0.694 54.440 55.300 -0.277 0.000 1.171 123 M CB 0.573 32.987 32.600 -0.311 0.000 1.413 123 M HN 0.274 8.406 8.290 -0.264 0.000 0.467 124 Q N -0.024 119.713 119.800 -0.105 0.000 2.325 124 Q HA -0.377 nan 4.340 nan 0.000 0.211 124 Q C 1.311 177.280 176.000 -0.052 0.000 0.988 124 Q CA 3.132 58.894 55.803 -0.070 0.000 0.887 124 Q CB -0.573 28.127 28.738 -0.063 0.000 0.915 124 Q HN 0.088 8.543 8.270 -0.115 -0.254 0.440 125 D N -5.897 114.471 120.400 -0.053 0.000 2.342 125 D HA -0.042 nan 4.640 nan 0.000 0.221 125 D C 0.809 177.093 176.300 -0.027 0.000 1.101 125 D CA -0.900 53.079 54.000 -0.034 0.000 0.837 125 D CB -1.099 39.682 40.800 -0.031 0.000 0.938 125 D HN -0.556 7.715 8.370 -0.071 0.056 0.508 126 G N -0.975 107.808 108.800 -0.028 0.000 2.162 126 G HA2 -0.423 nan 3.960 nan 0.000 0.260 126 G HA3 -0.423 nan 3.960 nan 0.000 0.260 126 G C -0.972 173.926 174.900 -0.003 0.000 0.976 126 G CA 0.520 45.617 45.100 -0.006 0.000 0.655 126 G HN 0.186 8.366 8.290 -0.040 0.086 0.533 127 T N -4.144 110.391 114.554 -0.032 0.000 2.930 127 T HA 0.381 nan 4.350 nan 0.000 0.290 127 T C -1.220 173.452 174.700 -0.046 0.000 1.052 127 T CA -2.692 59.393 62.100 -0.025 0.000 1.017 127 T CB 2.952 71.805 68.868 -0.026 0.000 1.137 127 T HN -0.310 8.120 8.240 -0.057 -0.224 0.511 128 S N 1.502 117.212 115.700 0.016 0.000 2.480 128 S HA 0.311 nan 4.470 nan 0.000 0.286 128 S C -0.063 174.583 174.600 0.076 0.000 1.180 128 S CA -0.897 57.380 58.200 0.128 0.000 1.075 128 S CB 1.060 64.378 63.200 0.196 0.000 0.996 128 S HN 0.247 8.568 8.310 0.018 0.000 0.487 129 R N 3.641 124.214 120.500 0.121 0.000 2.541 129 R HA 0.063 nan 4.340 nan 0.000 0.245 129 R C -1.698 174.389 176.300 -0.355 0.000 1.154 129 R CA -0.453 55.563 56.100 -0.139 0.000 1.179 129 R CB -0.404 29.756 30.300 -0.234 0.000 1.189 129 R HN 0.082 8.448 8.270 0.161 0.000 0.526 130 F N -2.304 117.689 119.950 0.072 0.000 2.576 130 F HA 0.495 nan 4.527 nan 0.000 0.313 130 F C -1.451 174.343 175.800 -0.010 0.000 1.078 130 F CA -1.594 56.397 58.000 -0.015 0.000 0.921 130 F CB 4.038 42.975 39.000 -0.104 0.000 1.232 130 F HN -0.572 7.728 8.300 0.120 0.073 0.459 131 T N -0.014 114.667 114.554 0.212 0.000 3.105 131 T HA 0.467 nan 4.350 nan 0.000 0.321 131 T C -2.677 172.101 174.700 0.130 0.000 1.135 131 T CA -0.700 61.478 62.100 0.130 0.000 1.053 131 T CB 2.315 71.241 68.868 0.097 0.000 1.133 131 T HN 0.203 8.586 8.240 0.237 0.000 0.463 132 C N 4.825 124.212 119.300 0.145 0.000 2.321 132 C HA 0.514 nan 4.460 nan 0.000 0.323 132 C C -0.652 174.457 174.990 0.199 0.000 1.191 132 C CA -1.302 57.825 59.018 0.183 0.000 1.455 132 C CB 0.725 28.609 27.740 0.240 0.000 2.083 132 C HN 0.697 9.021 8.230 0.156 0.000 0.442 133 R N 4.801 125.382 120.500 0.135 0.000 3.422 133 R HA -0.427 nan 4.340 nan 0.000 0.267 133 R C 0.588 176.942 176.300 0.089 0.000 1.074 133 R CA 0.767 56.926 56.100 0.099 0.000 0.718 133 R CB -1.897 28.454 30.300 0.086 0.000 1.157 133 R HN 0.982 9.323 8.270 0.118 0.000 0.440 134 G N -4.001 104.851 108.800 0.086 0.000 2.454 134 G HA2 -0.461 nan 3.960 nan 0.000 0.225 134 G HA3 -0.461 nan 3.960 nan 0.000 0.225 134 G C -0.479 174.472 174.900 0.084 0.000 1.138 134 G CA -0.194 44.949 45.100 0.071 0.000 0.667 134 G HN 0.355 8.699 8.290 0.090 0.000 0.512 135 K N 4.759 125.230 120.400 0.117 0.000 2.436 135 K HA 0.117 nan 4.320 nan 0.000 0.282 135 K C -1.902 174.765 176.600 0.112 0.000 1.044 135 K CA -1.963 54.408 56.287 0.140 0.000 1.028 135 K CB 0.256 32.902 32.500 0.244 0.000 0.919 135 K HN -0.445 7.784 8.250 0.127 0.098 0.474 136 P HA 0.038 nan 4.420 nan 0.000 0.268 136 P C -1.241 176.022 177.300 -0.062 0.000 1.204 136 P CA -0.056 63.046 63.100 0.003 0.000 0.768 136 P CB 0.448 32.123 31.700 -0.042 0.000 0.842 137 I N 1.272 121.808 120.570 -0.056 0.000 2.441 137 I HA 0.260 nan 4.170 nan 0.000 0.295 137 I C 0.033 176.125 176.117 -0.042 0.000 0.994 137 I CA -2.619 58.618 61.300 -0.106 0.000 1.144 137 I CB 2.374 40.282 38.000 -0.154 0.000 1.314 137 I HN -0.349 7.878 8.210 0.029 0.000 0.445 138 H N 6.364 125.481 119.070 0.079 0.000 2.551 138 H HA 0.241 nan 4.556 nan 0.000 0.358 138 H C -0.316 175.148 175.328 0.226 0.000 1.151 138 H CA -0.235 55.924 56.048 0.184 0.000 1.374 138 H CB 1.366 31.212 29.762 0.140 0.000 1.473 138 H HN 0.657 8.896 8.280 0.120 0.113 0.574 139 H N 0.807 120.095 119.070 0.363 0.000 2.551 139 H HA 0.099 nan 4.556 nan 0.000 0.358 139 H C -0.668 174.860 175.328 0.334 0.000 1.151 139 H CA 0.287 56.550 56.048 0.359 0.000 1.374 139 H CB 1.345 31.263 29.762 0.261 0.000 1.473 139 H HN 0.067 8.636 8.280 0.623 0.084 0.574 140 F N 2.494 122.587 119.950 0.238 0.000 2.449 140 F HA 0.122 nan 4.527 nan 0.000 0.342 140 F C -1.063 174.821 175.800 0.140 0.000 1.127 140 F CA -1.935 56.153 58.000 0.146 0.000 0.975 140 F CB 2.226 41.280 39.000 0.090 0.000 1.146 140 F HN 0.557 9.137 8.300 0.466 0.000 0.444 141 L N 6.451 127.460 121.223 -0.356 0.000 3.829 141 L HA -0.401 nan 4.340 nan 0.000 0.440 141 L C 0.613 177.427 176.870 -0.092 0.000 1.192 141 L CA 0.228 54.853 54.840 -0.358 0.000 0.848 141 L CB -1.829 39.851 42.059 -0.631 0.000 1.744 141 L HN 1.154 9.216 8.230 -0.280 0.000 0.920 142 G N -5.065 103.746 108.800 0.017 0.000 2.269 142 G HA2 -0.537 nan 3.960 nan 0.000 0.277 142 G HA3 -0.537 nan 3.960 nan 0.000 0.277 142 G C -0.669 174.298 174.900 0.112 0.000 1.008 142 G CA 1.351 46.486 45.100 0.058 0.000 0.774 142 G HN 0.631 8.941 8.290 0.050 0.011 0.511 143 T N -6.819 107.834 114.554 0.164 0.000 3.174 143 T HA 0.245 nan 4.350 nan 0.000 0.252 143 T C 0.543 175.374 174.700 0.218 0.000 0.984 143 T CA 0.040 62.239 62.100 0.165 0.000 1.113 143 T CB 2.174 71.130 68.868 0.147 0.000 1.088 143 T HN -0.118 8.046 8.240 0.157 0.171 0.442 144 S N 2.480 118.331 115.700 0.252 0.000 3.447 144 S HA -0.400 nan 4.470 nan 0.000 0.371 144 S C 0.001 174.652 174.600 0.084 0.000 0.951 144 S CA 1.676 59.987 58.200 0.186 0.000 1.269 144 S CB -1.046 62.290 63.200 0.226 0.000 0.919 144 S HN -0.005 8.481 8.310 0.293 0.000 0.516 145 T N -7.236 107.321 114.554 0.005 0.000 3.148 145 T HA 0.053 nan 4.350 nan 0.000 0.253 145 T C 1.881 176.638 174.700 0.094 0.000 1.134 145 T CA 0.672 62.768 62.100 -0.007 0.000 1.051 145 T CB 0.178 69.038 68.868 -0.013 0.000 0.959 145 T HN -0.650 7.448 8.240 -0.028 0.125 0.525 146 F N 4.703 124.705 119.950 0.086 0.000 2.869 146 F HA 0.289 nan 4.527 nan 0.000 0.298 146 F C -1.834 174.016 175.800 0.083 0.000 1.235 146 F CA -3.271 54.847 58.000 0.197 0.000 1.402 146 F CB -2.666 36.419 39.000 0.141 0.000 1.142 146 F HN -0.359 7.898 8.300 0.008 0.048 0.529 147 S N -2.220 113.492 115.700 0.020 0.000 2.595 147 S HA 0.408 nan 4.470 nan 0.000 0.281 147 S C -0.385 173.980 174.600 -0.393 0.000 1.117 147 S CA -2.481 55.656 58.200 -0.106 0.000 0.873 147 S CB 1.881 65.035 63.200 -0.077 0.000 1.108 147 S HN -0.602 7.588 8.310 -0.061 0.083 0.477 148 Q N 0.795 120.445 119.800 -0.249 0.000 2.311 148 Q HA -0.001 nan 4.340 nan 0.000 0.203 148 Q C -0.037 175.734 176.000 -0.382 0.000 0.954 148 Q CA 2.375 57.951 55.803 -0.379 0.000 0.885 148 Q CB 1.618 30.372 28.738 0.027 0.000 0.963 148 Q HN 0.083 8.325 8.270 -0.048 0.000 0.471 149 Y N -4.315 115.886 120.300 -0.164 0.000 2.534 149 Y HA 0.397 nan 4.550 nan 0.000 0.345 149 Y C -2.358 173.566 175.900 0.040 0.000 1.031 149 Y CA -0.908 57.147 58.100 -0.076 0.000 1.022 149 Y CB 3.878 42.328 38.460 -0.016 0.000 1.292 149 Y HN -0.722 7.588 8.280 0.107 0.035 0.459 150 T N 0.400 115.043 114.554 0.148 0.000 2.821 150 T HA 0.418 nan 4.350 nan 0.000 0.306 150 T C -2.591 172.155 174.700 0.076 0.000 1.313 150 T CA -1.568 60.649 62.100 0.194 0.000 1.012 150 T CB 3.267 72.247 68.868 0.187 0.000 1.298 150 T HN 0.118 8.403 8.240 0.075 0.000 0.502 151 V N 2.772 122.701 119.914 0.025 0.000 2.540 151 V HA 0.917 nan 4.120 nan 0.000 0.302 151 V C -1.567 174.558 176.094 0.051 0.000 1.035 151 V CA -1.559 60.743 62.300 0.004 0.000 0.873 151 V CB 2.059 33.839 31.823 -0.071 0.000 0.992 151 V HN 0.366 8.578 8.190 0.037 0.000 0.428 152 V N -0.395 119.531 119.914 0.020 0.000 2.914 152 V HA 0.613 nan 4.120 nan 0.000 0.314 152 V C -1.654 174.432 176.094 -0.014 0.000 1.084 152 V CA -3.268 59.041 62.300 0.015 0.000 0.963 152 V CB 3.639 35.473 31.823 0.018 0.000 1.025 152 V HN 0.457 8.650 8.190 0.005 0.000 0.432 153 D N 2.264 122.647 120.400 -0.028 0.000 2.360 153 D HA 0.077 nan 4.640 nan 0.000 0.242 153 D C 0.653 176.946 176.300 -0.010 0.000 1.184 153 D CA 1.288 55.275 54.000 -0.022 0.000 0.930 153 D CB 1.714 42.491 40.800 -0.038 0.000 1.161 153 D HN -0.069 8.281 8.370 -0.034 0.000 0.447 154 E N 1.665 121.873 120.200 0.013 0.000 2.338 154 E HA -0.261 nan 4.350 nan 0.000 0.197 154 E C 1.629 178.217 176.600 -0.019 0.000 1.007 154 E CA 2.838 59.245 56.400 0.011 0.000 0.849 154 E CB 0.027 29.759 29.700 0.054 0.000 0.774 154 E HN 0.395 8.780 8.360 0.041 0.000 0.506 155 I N -8.110 112.435 120.570 -0.041 0.000 3.291 155 I HA -0.044 nan 4.170 nan 0.000 0.279 155 I C 0.430 176.504 176.117 -0.072 0.000 1.294 155 I CA 1.487 62.751 61.300 -0.060 0.000 1.428 155 I CB -0.626 37.328 38.000 -0.076 0.000 1.070 155 I HN -0.078 8.087 8.210 -0.041 0.021 0.478 156 S N -0.473 115.189 115.700 -0.064 0.000 2.601 156 S HA 0.218 nan 4.470 nan 0.000 0.244 156 S C -1.767 172.799 174.600 -0.057 0.000 1.001 156 S CA 0.724 58.878 58.200 -0.077 0.000 0.984 156 S CB 0.878 64.039 63.200 -0.064 0.000 0.842 156 S HN -0.272 7.837 8.310 -0.048 0.172 0.474 157 V N -0.063 119.826 119.914 -0.042 0.000 2.709 157 V HA 0.552 nan 4.120 nan 0.000 0.308 157 V C -2.935 173.144 176.094 -0.025 0.000 1.062 157 V CA -1.755 60.527 62.300 -0.029 0.000 0.901 157 V CB 3.707 35.521 31.823 -0.016 0.000 1.003 157 V HN -0.913 7.252 8.190 -0.041 0.000 0.425 158 A N 6.498 129.307 122.820 -0.019 0.000 2.330 158 A HA 0.648 nan 4.320 nan 0.000 0.313 158 A C -2.061 175.523 177.584 0.000 0.000 1.124 158 A CA -1.820 50.212 52.037 -0.008 0.000 0.774 158 A CB 2.710 21.708 19.000 -0.003 0.000 1.198 158 A HN 0.736 8.874 8.150 -0.019 0.000 0.465 159 K N 4.502 124.903 120.400 0.003 0.000 2.326 159 K HA 0.359 nan 4.320 nan 0.000 0.275 159 K C -0.993 175.614 176.600 0.012 0.000 1.018 159 K CA 0.086 56.376 56.287 0.005 0.000 0.962 159 K CB 0.584 33.087 32.500 0.005 0.000 0.953 159 K HN 0.329 8.581 8.250 0.003 0.000 0.475 160 I N -2.008 118.571 120.570 0.015 0.000 3.516 160 I HA 0.249 nan 4.170 nan 0.000 0.307 160 I C -1.959 174.171 176.117 0.021 0.000 1.157 160 I CA -2.844 58.470 61.300 0.023 0.000 0.983 160 I CB 2.853 40.874 38.000 0.035 0.000 1.351 160 I HN 0.141 8.357 8.210 0.011 0.000 0.484 161 D N 0.577 120.994 120.400 0.028 0.000 2.371 161 D HA -0.029 nan 4.640 nan 0.000 0.256 161 D C 0.666 176.977 176.300 0.018 0.000 1.193 161 D CA 0.367 54.378 54.000 0.019 0.000 0.881 161 D CB 0.847 41.656 40.800 0.016 0.000 1.143 161 D HN 0.037 8.431 8.370 0.040 0.000 0.473 162 A N 6.115 128.940 122.820 0.009 0.000 2.024 162 A HA -0.190 nan 4.320 nan 0.000 0.220 162 A C 0.151 177.739 177.584 0.005 0.000 1.164 162 A CA 2.513 54.554 52.037 0.006 0.000 0.643 162 A CB -0.192 18.808 19.000 0.001 0.000 0.806 162 A HN 0.493 8.647 8.150 0.006 0.000 0.451 163 A N -3.676 119.144 122.820 -0.000 0.000 2.302 163 A HA 0.069 nan 4.320 nan 0.000 0.219 163 A C 0.021 177.609 177.584 0.006 0.000 1.243 163 A CA -0.275 51.759 52.037 -0.005 0.000 0.856 163 A CB 0.060 19.047 19.000 -0.023 0.000 0.893 163 A HN -0.532 7.882 8.150 -0.004 -0.266 0.491 164 S N 0.547 116.266 115.700 0.032 0.000 2.523 164 S HA 0.266 nan 4.470 nan 0.000 0.275 164 S C -1.994 172.666 174.600 0.101 0.000 1.281 164 S CA -2.892 55.355 58.200 0.079 0.000 1.050 164 S CB -0.012 63.258 63.200 0.117 0.000 0.937 164 S HN -0.351 7.834 8.310 0.030 0.142 0.492 165 P HA 0.100 nan 4.420 nan 0.000 0.263 165 P C -0.112 177.253 177.300 0.108 0.000 1.345 165 P CA -0.105 63.077 63.100 0.135 0.000 1.119 165 P CB -0.714 31.096 31.700 0.183 0.000 1.363 166 L N 3.205 124.467 121.223 0.065 0.000 2.447 166 L HA -0.416 nan 4.340 nan 0.000 0.225 166 L C 1.286 178.176 176.870 0.034 0.000 1.148 166 L CA 2.606 57.472 54.840 0.042 0.000 0.808 166 L CB -0.954 41.125 42.059 0.033 0.000 0.928 166 L HN -0.302 7.963 8.230 0.058 0.000 0.448 167 E N -3.041 117.182 120.200 0.038 0.000 2.478 167 E HA -0.077 nan 4.350 nan 0.000 0.194 167 E C 0.139 176.740 176.600 0.001 0.000 1.045 167 E CA 1.617 58.035 56.400 0.029 0.000 0.868 167 E CB -0.661 29.059 29.700 0.033 0.000 0.885 167 E HN 0.362 8.687 8.360 0.048 0.064 0.505 168 K N -2.342 118.045 120.400 -0.021 0.000 2.362 168 K HA 0.267 nan 4.320 nan 0.000 0.203 168 K C 1.797 178.253 176.600 -0.240 0.000 1.198 168 K CA 0.883 57.096 56.287 -0.123 0.000 0.908 168 K CB 1.157 33.582 32.500 -0.124 0.000 1.236 168 K HN -0.012 8.085 8.250 0.011 0.160 0.487 169 V N -3.122 116.668 119.914 -0.208 0.000 3.330 169 V HA 0.041 nan 4.120 nan 0.000 0.273 169 V C 1.738 177.773 176.094 -0.098 0.000 1.179 169 V CA 2.008 64.178 62.300 -0.217 0.000 1.174 169 V CB -2.074 29.717 31.823 -0.054 0.000 0.794 169 V HN 0.097 8.239 8.190 -0.081 0.000 0.527 170 C N -1.294 117.976 119.300 -0.051 0.000 2.422 170 C HA -0.136 nan 4.460 nan 0.000 0.286 170 C C 1.943 176.942 174.990 0.015 0.000 1.412 170 C CA 1.470 60.489 59.018 0.003 0.000 1.786 170 C CB -2.438 25.320 27.740 0.029 0.000 1.835 170 C HN -0.411 7.735 8.230 -0.051 0.054 0.533 171 L N 1.821 123.025 121.223 -0.033 0.000 2.201 171 L HA -0.184 nan 4.340 nan 0.000 0.212 171 L C 1.794 178.725 176.870 0.102 0.000 1.105 171 L CA 1.617 56.463 54.840 0.011 0.000 0.775 171 L CB -0.814 41.196 42.059 -0.080 0.000 0.913 171 L HN -0.386 7.746 8.230 -0.098 0.039 0.440 172 I N -1.139 119.465 120.570 0.056 0.000 3.176 172 I HA -0.277 nan 4.170 nan 0.000 0.275 172 I C 0.757 177.024 176.117 0.250 0.000 1.298 172 I CA 2.051 63.440 61.300 0.148 0.000 1.445 172 I CB -0.872 37.155 38.000 0.045 0.000 1.075 172 I HN -0.618 7.532 8.210 -0.035 0.039 0.482 173 G N -2.279 106.652 108.800 0.219 0.000 2.920 173 G HA2 -0.115 nan 3.960 nan 0.000 0.208 173 G HA3 -0.115 nan 3.960 nan 0.000 0.208 173 G C -1.461 173.694 174.900 0.425 0.000 1.159 173 G CA 0.535 45.787 45.100 0.254 0.000 0.784 173 G HN -0.268 7.934 8.290 0.150 0.177 0.535 174 C N -1.955 117.630 119.300 0.477 0.000 3.779 174 C HA 0.223 nan 4.460 nan 0.000 0.345 174 C C 0.352 175.605 174.990 0.438 0.000 1.743 174 C CA 1.359 60.751 59.018 0.623 0.000 1.831 174 C CB -0.303 27.797 27.740 0.601 0.000 2.057 174 C HN -0.248 8.036 8.230 0.369 0.167 0.504 175 G N 0.972 109.950 108.800 0.296 0.000 2.414 175 G HA2 -0.257 nan 3.960 nan 0.000 0.215 175 G HA3 -0.257 nan 3.960 nan 0.000 0.215 175 G C 0.433 175.456 174.900 0.205 0.000 1.188 175 G CA 2.425 47.656 45.100 0.218 0.000 0.783 175 G HN -0.014 8.655 8.290 0.260 -0.223 0.537 176 F N 1.654 121.622 119.950 0.029 0.000 2.031 176 F HA -0.225 nan 4.527 nan 0.000 0.295 176 F C 1.381 177.170 175.800 -0.018 0.000 1.133 176 F CA 2.976 60.946 58.000 -0.049 0.000 1.188 176 F CB 0.385 39.282 39.000 -0.172 0.000 0.974 176 F HN -0.613 7.869 8.300 0.303 0.000 0.473 177 S N -0.925 114.832 115.700 0.095 0.000 2.420 177 S HA -0.427 nan 4.470 nan 0.000 0.237 177 S C 2.439 177.007 174.600 -0.054 0.000 1.023 177 S CA 3.841 62.016 58.200 -0.042 0.000 0.991 177 S CB -0.330 62.840 63.200 -0.051 0.000 0.792 177 S HN 0.106 8.602 8.310 0.310 0.000 0.488 178 T N 3.327 117.913 114.554 0.053 0.000 2.812 178 T HA -0.114 nan 4.350 nan 0.000 0.264 178 T C 1.806 176.471 174.700 -0.058 0.000 1.042 178 T CA 4.658 66.787 62.100 0.047 0.000 1.140 178 T CB -0.353 68.629 68.868 0.191 0.000 0.870 178 T HN 0.239 8.442 8.240 0.146 0.125 0.445 179 G N 1.262 110.007 108.800 -0.092 0.000 2.404 179 G HA2 -0.137 nan 3.960 nan 0.000 0.213 179 G HA3 -0.137 nan 3.960 nan 0.000 0.213 179 G C 0.265 174.997 174.900 -0.281 0.000 1.189 179 G CA 1.609 46.613 45.100 -0.160 0.000 0.796 179 G HN -0.457 7.794 8.290 -0.065 0.000 0.532 180 Y N 3.087 123.039 120.300 -0.580 0.000 2.256 180 Y HA -0.438 nan 4.550 nan 0.000 0.288 180 Y C 1.577 177.229 175.900 -0.415 0.000 1.155 180 Y CA 2.969 60.705 58.100 -0.605 0.000 1.203 180 Y CB 0.189 37.977 38.460 -1.121 0.000 0.980 180 Y HN -0.062 7.933 8.280 -0.475 0.000 0.530 181 G N -3.922 104.715 108.800 -0.273 0.000 2.422 181 G HA2 -0.392 nan 3.960 nan 0.000 0.218 181 G HA3 -0.392 nan 3.960 nan 0.000 0.218 181 G C 1.177 175.751 174.900 -0.544 0.000 1.140 181 G CA 2.252 46.902 45.100 -0.751 0.000 0.775 181 G HN -0.156 8.014 8.290 -0.170 0.017 0.545 182 S N 3.044 118.535 115.700 -0.348 0.000 2.382 182 S HA -0.296 nan 4.470 nan 0.000 0.228 182 S C 1.534 176.033 174.600 -0.169 0.000 1.027 182 S CA 4.033 62.129 58.200 -0.173 0.000 0.991 182 S CB -0.348 62.823 63.200 -0.047 0.000 0.823 182 S HN -0.705 7.327 8.310 -0.308 0.092 0.469 183 A N 1.192 123.726 122.820 -0.476 0.000 1.874 183 A HA -0.072 nan 4.320 nan 0.000 0.214 183 A C 1.986 179.335 177.584 -0.392 0.000 1.189 183 A CA 3.222 54.958 52.037 -0.501 0.000 0.615 183 A CB -0.516 18.073 19.000 -0.685 0.000 0.830 183 A HN -0.573 7.169 8.150 -0.542 0.083 0.443 184 V N -1.491 118.133 119.914 -0.484 0.000 2.346 184 V HA -0.246 nan 4.120 nan 0.000 0.244 184 V C 1.590 177.524 176.094 -0.267 0.000 1.037 184 V CA 4.612 66.680 62.300 -0.388 0.000 1.029 184 V CB -0.337 31.180 31.823 -0.510 0.000 0.663 184 V HN 0.241 8.072 8.190 -0.599 0.000 0.454 185 K N -2.634 117.559 120.400 -0.345 0.000 2.287 185 K HA 0.066 nan 4.320 nan 0.000 0.199 185 K C 1.827 178.297 176.600 -0.216 0.000 1.061 185 K CA 1.824 57.937 56.287 -0.290 0.000 0.976 185 K CB 1.864 34.057 32.500 -0.512 0.000 0.898 185 K HN -0.309 7.545 8.250 -0.468 0.115 0.492 186 V N -0.213 119.570 119.914 -0.218 0.000 2.251 186 V HA -0.167 nan 4.120 nan 0.000 0.237 186 V C 1.730 177.806 176.094 -0.029 0.000 1.040 186 V CA 2.908 65.147 62.300 -0.101 0.000 1.005 186 V CB 0.105 31.881 31.823 -0.078 0.000 0.645 186 V HN -0.100 7.913 8.190 -0.295 0.000 0.458 187 A N -2.438 120.394 122.820 0.020 0.000 2.067 187 A HA -0.177 nan 4.320 nan 0.000 0.219 187 A C -0.201 177.343 177.584 -0.066 0.000 1.158 187 A CA 1.201 53.258 52.037 0.034 0.000 0.661 187 A CB 0.284 19.323 19.000 0.065 0.000 0.801 187 A HN -0.154 8.038 8.150 0.072 0.000 0.452 188 K N -4.622 115.691 120.400 -0.145 0.000 3.419 188 K HA -0.349 nan 4.320 nan 0.000 0.272 188 K C -0.645 175.779 176.600 -0.293 0.000 0.973 188 K CA -0.123 56.074 56.287 -0.151 0.000 0.749 188 K CB -2.380 30.106 32.500 -0.022 0.000 1.403 188 K HN -0.330 7.796 8.250 -0.142 0.039 0.456 189 V N -1.658 117.885 119.914 -0.618 0.000 2.644 189 V HA -0.229 nan 4.120 nan 0.000 0.305 189 V C 0.053 175.983 176.094 -0.273 0.000 1.053 189 V CA 1.755 63.481 62.300 -0.957 0.000 1.186 189 V CB -0.239 31.214 31.823 -0.616 0.000 0.895 189 V HN -0.506 7.404 8.190 -0.467 0.000 0.490 190 T N 3.595 118.188 114.554 0.065 0.000 2.952 190 T HA 0.275 nan 4.350 nan 0.000 0.286 190 T C -0.962 173.801 174.700 0.105 0.000 1.024 190 T CA -2.135 60.036 62.100 0.119 0.000 1.029 190 T CB 1.989 70.969 68.868 0.186 0.000 1.094 190 T HN -0.325 8.141 8.240 0.376 0.000 0.515 191 Q N 3.007 122.846 119.800 0.066 0.000 2.330 191 Q HA -0.400 nan 4.340 nan 0.000 0.279 191 Q C 1.082 177.124 176.000 0.068 0.000 1.024 191 Q CA 1.447 57.284 55.803 0.056 0.000 0.900 191 Q CB 0.214 28.975 28.738 0.039 0.000 1.221 191 Q HN 0.379 8.682 8.270 0.054 0.000 0.396 192 G N 6.067 114.907 108.800 0.066 0.000 2.268 192 G HA2 -0.441 nan 3.960 nan 0.000 0.240 192 G HA3 -0.441 nan 3.960 nan 0.000 0.240 192 G C -0.006 174.949 174.900 0.091 0.000 1.010 192 G CA -0.358 44.780 45.100 0.064 0.000 0.618 192 G HN 0.807 9.040 8.290 0.060 0.093 0.516 193 S N 2.283 118.071 115.700 0.147 0.000 2.598 193 S HA -0.049 nan 4.470 nan 0.000 0.256 193 S C -0.960 173.747 174.600 0.178 0.000 1.350 193 S CA 1.173 59.496 58.200 0.204 0.000 0.984 193 S CB 1.289 64.750 63.200 0.435 0.000 0.930 193 S HN -0.388 7.948 8.310 0.158 0.069 0.577 194 T N 2.502 117.166 114.554 0.183 0.000 2.864 194 T HA 0.385 nan 4.350 nan 0.000 0.299 194 T C -1.258 173.561 174.700 0.198 0.000 1.011 194 T CA -0.058 62.126 62.100 0.139 0.000 0.975 194 T CB 1.248 70.162 68.868 0.077 0.000 0.962 194 T HN -0.252 8.247 8.240 0.191 -0.144 0.448 195 C N 6.801 126.231 119.300 0.217 0.000 2.376 195 C HA 0.928 nan 4.460 nan 0.000 0.335 195 C C -1.687 173.426 174.990 0.204 0.000 1.229 195 C CA -2.167 57.025 59.018 0.290 0.000 1.867 195 C CB 2.557 30.492 27.740 0.325 0.000 2.319 195 C HN 1.116 9.447 8.230 0.167 0.000 0.515 196 A N 3.438 126.401 122.820 0.239 0.000 2.291 196 A HA 0.787 nan 4.320 nan 0.000 0.311 196 A C -2.273 175.482 177.584 0.286 0.000 1.224 196 A CA -1.512 50.620 52.037 0.158 0.000 0.821 196 A CB 1.766 20.852 19.000 0.143 0.000 1.172 196 A HN 0.436 8.764 8.150 0.297 0.000 0.494 197 V N 3.278 123.292 119.914 0.167 0.000 2.394 197 V HA 0.624 nan 4.120 nan 0.000 0.282 197 V C -1.276 174.886 176.094 0.113 0.000 1.031 197 V CA -1.301 61.142 62.300 0.240 0.000 0.881 197 V CB 0.553 32.451 31.823 0.124 0.000 0.982 197 V HN 0.694 8.908 8.190 0.039 0.000 0.451 198 F N 5.989 126.032 119.950 0.155 0.000 2.410 198 F HA 0.526 nan 4.527 nan 0.000 0.349 198 F C -0.322 175.553 175.800 0.125 0.000 1.117 198 F CA -1.458 56.618 58.000 0.127 0.000 1.104 198 F CB 1.410 40.480 39.000 0.116 0.000 1.122 198 F HN 0.570 9.225 8.300 0.593 0.000 0.483 199 G N 5.718 114.646 108.800 0.212 0.000 2.999 199 G HA2 -0.344 nan 3.960 nan 0.000 0.686 199 G HA3 -0.344 nan 3.960 nan 0.000 0.686 199 G C -1.654 173.331 174.900 0.143 0.000 1.057 199 G CA -0.143 45.063 45.100 0.176 0.000 0.784 199 G HN 0.610 8.989 8.290 0.149 0.000 0.575 200 L N 1.697 122.995 121.223 0.125 0.000 3.255 200 L HA 0.240 nan 4.340 nan 0.000 0.293 200 L C 0.406 177.331 176.870 0.092 0.000 1.302 200 L CA -0.922 53.987 54.840 0.114 0.000 0.977 200 L CB -0.034 42.114 42.059 0.147 0.000 1.390 200 L HN 0.138 8.567 8.230 0.117 -0.130 0.588 201 G N 0.267 109.118 108.800 0.085 0.000 2.611 201 G HA2 -0.025 nan 3.960 nan 0.000 0.273 201 G HA3 -0.025 nan 3.960 nan 0.000 0.273 201 G C 0.894 175.838 174.900 0.074 0.000 1.305 201 G CA -0.739 44.404 45.100 0.071 0.000 1.010 201 G HN -0.545 7.801 8.290 0.094 0.000 0.509 202 G N -1.918 106.924 108.800 0.070 0.000 2.462 202 G HA2 -0.306 nan 3.960 nan 0.000 0.220 202 G HA3 -0.306 nan 3.960 nan 0.000 0.220 202 G C 1.236 176.189 174.900 0.090 0.000 1.121 202 G CA 2.176 47.323 45.100 0.079 0.000 0.758 202 G HN 0.665 8.992 8.290 0.062 0.000 0.559 203 V N 1.091 121.054 119.914 0.081 0.000 2.591 203 V HA -0.140 nan 4.120 nan 0.000 0.249 203 V C 2.152 178.269 176.094 0.039 0.000 1.053 203 V CA 2.359 64.699 62.300 0.068 0.000 1.068 203 V CB -0.810 31.058 31.823 0.074 0.000 0.689 203 V HN -0.227 7.987 8.190 0.079 0.024 0.462 204 G N 0.359 109.194 108.800 0.058 0.000 2.402 204 G HA2 -0.240 nan 3.960 nan 0.000 0.216 204 G HA3 -0.240 nan 3.960 nan 0.000 0.216 204 G C 0.944 175.866 174.900 0.038 0.000 1.162 204 G CA 2.236 47.368 45.100 0.053 0.000 0.777 204 G HN -0.406 7.811 8.290 0.074 0.117 0.539 205 L N 0.530 121.791 121.223 0.065 0.000 2.131 205 L HA -0.266 nan 4.340 nan 0.000 0.210 205 L C 2.346 179.266 176.870 0.084 0.000 1.092 205 L CA 2.249 57.136 54.840 0.078 0.000 0.759 205 L CB -0.809 41.308 42.059 0.096 0.000 0.903 205 L HN 0.013 8.288 8.230 0.075 0.000 0.435 206 S N 0.143 115.888 115.700 0.074 0.000 2.368 206 S HA -0.346 nan 4.470 nan 0.000 0.225 206 S C 2.294 176.827 174.600 -0.111 0.000 1.030 206 S CA 4.197 62.407 58.200 0.016 0.000 0.999 206 S CB -0.361 62.797 63.200 -0.070 0.000 0.844 206 S HN -0.567 7.719 8.310 0.081 0.072 0.459 207 V N 2.991 122.802 119.914 -0.172 0.000 2.255 207 V HA -0.448 nan 4.120 nan 0.000 0.247 207 V C 1.390 177.318 176.094 -0.278 0.000 1.051 207 V CA 4.631 66.722 62.300 -0.348 0.000 1.018 207 V CB -0.747 30.859 31.823 -0.362 0.000 0.641 207 V HN -0.418 7.702 8.190 -0.115 0.000 0.445 208 I N -1.622 118.875 120.570 -0.122 0.000 2.248 208 I HA -0.673 nan 4.170 nan 0.000 0.248 208 I C 2.028 178.138 176.117 -0.012 0.000 1.107 208 I CA 4.315 65.585 61.300 -0.050 0.000 1.373 208 I CB -0.419 37.590 38.000 0.016 0.000 1.055 208 I HN -0.335 7.827 8.210 -0.079 0.000 0.418 209 M N -2.199 117.433 119.600 0.052 0.000 2.132 209 M HA -0.292 nan 4.480 nan 0.000 0.263 209 M C 2.344 178.705 176.300 0.102 0.000 1.065 209 M CA 4.096 59.502 55.300 0.177 0.000 1.122 209 M CB -0.600 32.218 32.600 0.363 0.000 1.365 209 M HN -0.254 7.981 8.290 0.054 0.088 0.411 210 G N -0.202 108.496 108.800 -0.170 0.000 2.433 210 G HA2 -0.402 nan 3.960 nan 0.000 0.216 210 G HA3 -0.402 nan 3.960 nan 0.000 0.216 210 G C 0.935 175.605 174.900 -0.383 0.000 1.186 210 G CA 2.262 46.965 45.100 -0.662 0.000 0.779 210 G HN -0.198 7.894 8.290 -0.154 0.105 0.543 211 C N 2.411 121.543 119.300 -0.279 0.000 2.413 211 C HA -0.354 nan 4.460 nan 0.000 0.276 211 C C 2.047 176.991 174.990 -0.076 0.000 1.248 211 C CA 3.870 62.785 59.018 -0.172 0.000 1.742 211 C CB -1.687 25.983 27.740 -0.116 0.000 2.017 211 C HN 0.266 8.315 8.230 -0.303 0.000 0.481 212 K N 0.075 120.458 120.400 -0.029 0.000 2.057 212 K HA -0.303 nan 4.320 nan 0.000 0.207 212 K C 2.447 179.073 176.600 0.044 0.000 1.049 212 K CA 2.999 59.305 56.287 0.031 0.000 0.931 212 K CB -0.286 32.258 32.500 0.074 0.000 0.714 212 K HN -0.164 7.999 8.250 -0.035 0.067 0.440 213 A N -0.853 121.995 122.820 0.046 0.000 2.015 213 A HA -0.116 nan 4.320 nan 0.000 0.219 213 A C 1.458 179.054 177.584 0.020 0.000 1.163 213 A CA 2.473 54.564 52.037 0.089 0.000 0.646 213 A CB -0.709 18.385 19.000 0.157 0.000 0.806 213 A HN 0.180 8.123 8.150 0.007 0.212 0.448 214 A N -3.362 119.424 122.820 -0.057 0.000 2.072 214 A HA 0.020 nan 4.320 nan 0.000 0.216 214 A C 0.608 178.183 177.584 -0.016 0.000 1.156 214 A CA 0.200 52.200 52.037 -0.062 0.000 0.701 214 A CB 0.448 19.366 19.000 -0.137 0.000 0.816 214 A HN -0.174 7.795 8.150 -0.100 0.122 0.458 215 G N -2.195 106.606 108.800 0.002 0.000 2.140 215 G HA2 -0.324 nan 3.960 nan 0.000 0.211 215 G HA3 -0.324 nan 3.960 nan 0.000 0.211 215 G C -0.815 174.106 174.900 0.036 0.000 1.013 215 G CA -0.289 44.825 45.100 0.025 0.000 0.705 215 G HN -0.486 7.649 8.290 -0.005 0.152 0.508 216 A N -0.016 122.826 122.820 0.036 0.000 2.520 216 A HA -0.013 nan 4.320 nan 0.000 0.235 216 A C -0.569 177.053 177.584 0.063 0.000 1.065 216 A CA 0.871 52.952 52.037 0.073 0.000 0.764 216 A CB 0.319 19.370 19.000 0.085 0.000 1.002 216 A HN -0.310 7.848 8.150 0.012 0.000 0.502 217 A N 2.478 125.339 122.820 0.068 0.000 2.348 217 A HA 0.074 nan 4.320 nan 0.000 0.224 217 A C -0.572 177.040 177.584 0.046 0.000 1.227 217 A CA 0.242 52.309 52.037 0.050 0.000 0.885 217 A CB 1.155 20.181 19.000 0.044 0.000 0.933 217 A HN 0.545 8.553 8.150 0.083 0.192 0.506 218 R N -0.956 119.578 120.500 0.057 0.000 2.518 218 R HA 0.343 nan 4.340 nan 0.000 0.287 218 R C -2.345 173.989 176.300 0.057 0.000 1.135 218 R CA -0.235 55.892 56.100 0.045 0.000 0.967 218 R CB 2.988 33.312 30.300 0.040 0.000 1.212 218 R HN -0.575 7.693 8.270 0.075 0.047 0.422 219 I N 7.114 127.708 120.570 0.040 0.000 2.437 219 I HA 0.455 nan 4.170 nan 0.000 0.279 219 I C -1.099 175.023 176.117 0.009 0.000 1.028 219 I CA -1.191 60.135 61.300 0.043 0.000 1.142 219 I CB 1.299 39.320 38.000 0.036 0.000 1.266 219 I HN 0.709 8.935 8.210 0.027 0.000 0.461 220 I N 7.384 127.953 120.570 -0.003 0.000 2.337 220 I HA 0.209 nan 4.170 nan 0.000 0.291 220 I C -0.549 175.516 176.117 -0.086 0.000 1.046 220 I CA -0.505 60.758 61.300 -0.062 0.000 1.324 220 I CB -0.075 37.880 38.000 -0.074 0.000 1.409 220 I HN 0.587 8.813 8.210 0.027 0.000 0.494 221 G N 7.014 115.743 108.800 -0.118 0.000 2.332 221 G HA2 0.533 nan 3.960 nan 0.000 0.310 221 G HA3 0.533 nan 3.960 nan 0.000 0.310 221 G C -2.918 171.885 174.900 -0.162 0.000 1.123 221 G CA -1.375 43.669 45.100 -0.094 0.000 0.873 221 G HN 0.220 8.423 8.290 -0.146 0.000 0.460 222 V N 2.171 121.998 119.914 -0.145 0.000 2.638 222 V HA 0.906 nan 4.120 nan 0.000 0.306 222 V C -2.953 173.176 176.094 0.057 0.000 1.052 222 V CA -2.726 59.495 62.300 -0.131 0.000 0.885 222 V CB 3.199 34.787 31.823 -0.391 0.000 0.999 222 V HN 0.541 8.650 8.190 -0.135 0.000 0.424 223 D N 7.807 128.361 120.400 0.256 0.000 2.871 223 D HA 0.316 nan 4.640 nan 0.000 0.209 223 D C -0.942 175.505 176.300 0.244 0.000 1.292 223 D CA -0.258 53.899 54.000 0.261 0.000 0.869 223 D CB 4.167 45.145 40.800 0.297 0.000 1.663 223 D HN -0.364 8.196 8.370 0.315 0.000 0.557 224 I N -3.586 117.067 120.570 0.139 0.000 2.700 224 I HA -0.207 nan 4.170 nan 0.000 0.261 224 I C -0.538 175.581 176.117 0.002 0.000 1.219 224 I CA 1.049 62.403 61.300 0.090 0.000 1.463 224 I CB -0.308 37.736 38.000 0.074 0.000 1.092 224 I HN 0.211 8.499 8.210 0.131 0.000 0.452 225 N N 0.791 119.453 118.700 -0.062 0.000 2.609 225 N HA 0.143 nan 4.740 nan 0.000 0.234 225 N C 0.022 175.232 175.510 -0.500 0.000 1.001 225 N CA -1.961 50.980 53.050 -0.183 0.000 0.926 225 N CB 0.276 38.695 38.487 -0.114 0.000 1.130 225 N HN -0.680 7.847 8.380 -0.013 -0.155 0.510 226 K N 6.959 127.013 120.400 -0.577 0.000 2.144 226 K HA -0.407 nan 4.320 nan 0.000 0.209 226 K C 1.546 177.637 176.600 -0.849 0.000 1.047 226 K CA 3.156 58.884 56.287 -0.932 0.000 0.927 226 K CB -0.040 32.263 32.500 -0.329 0.000 0.716 226 K HN 0.337 8.398 8.250 -0.316 0.000 0.454 227 D N -2.066 118.071 120.400 -0.438 0.000 2.310 227 D HA -0.158 nan 4.640 nan 0.000 0.212 227 D C 1.969 178.137 176.300 -0.219 0.000 0.965 227 D CA 2.535 56.386 54.000 -0.249 0.000 0.879 227 D CB -0.305 40.410 40.800 -0.141 0.000 0.921 227 D HN -0.533 7.822 8.370 -0.350 -0.195 0.510 228 K N -0.890 119.325 120.400 -0.308 0.000 2.487 228 K HA -0.016 nan 4.320 nan 0.000 0.192 228 K C 1.771 178.422 176.600 0.085 0.000 1.027 228 K CA 0.409 56.641 56.287 -0.091 0.000 1.054 228 K CB -0.785 31.699 32.500 -0.027 0.000 0.824 228 K HN 0.033 7.823 8.250 -0.503 0.158 0.510 229 F N -1.042 118.919 119.950 0.017 0.000 2.367 229 F HA -0.164 nan 4.527 nan 0.000 0.298 229 F C 1.365 177.176 175.800 0.018 0.000 1.094 229 F CA 0.632 58.641 58.000 0.016 0.000 1.409 229 F CB -1.267 37.740 39.000 0.012 0.000 1.064 229 F HN -0.282 7.799 8.300 -0.259 0.064 0.528 230 A N -0.903 122.028 122.820 0.186 0.000 1.873 230 A HA -0.367 nan 4.320 nan 0.000 0.215 230 A C 1.728 179.367 177.584 0.092 0.000 1.186 230 A CA 3.364 55.470 52.037 0.116 0.000 0.616 230 A CB -0.824 18.221 19.000 0.074 0.000 0.823 230 A HN -0.029 8.204 8.150 0.138 0.000 0.442 231 K N -0.884 119.566 120.400 0.084 0.000 2.057 231 K HA -0.328 nan 4.320 nan 0.000 0.207 231 K C 1.947 178.597 176.600 0.083 0.000 1.049 231 K CA 2.769 59.099 56.287 0.071 0.000 0.931 231 K CB -0.228 32.308 32.500 0.060 0.000 0.714 231 K HN -0.173 8.125 8.250 0.081 0.000 0.440 232 A N -0.955 121.928 122.820 0.104 0.000 1.892 232 A HA -0.308 nan 4.320 nan 0.000 0.218 232 A C 2.522 180.154 177.584 0.079 0.000 1.188 232 A CA 3.362 55.460 52.037 0.101 0.000 0.631 232 A CB -0.946 18.135 19.000 0.135 0.000 0.822 232 A HN -0.509 7.714 8.150 0.121 0.000 0.447 233 K N -2.344 118.104 120.400 0.080 0.000 2.032 233 K HA -0.281 nan 4.320 nan 0.000 0.209 233 K C 2.933 179.566 176.600 0.054 0.000 1.048 233 K CA 2.521 58.842 56.287 0.056 0.000 0.927 233 K CB -0.679 31.854 32.500 0.055 0.000 0.712 233 K HN -0.100 8.136 8.250 0.105 0.077 0.441 234 E N 0.167 120.403 120.200 0.060 0.000 2.085 234 E HA -0.289 nan 4.350 nan 0.000 0.194 234 E C 1.473 178.111 176.600 0.064 0.000 0.994 234 E CA 2.960 59.394 56.400 0.057 0.000 0.801 234 E CB 0.107 29.840 29.700 0.056 0.000 0.743 234 E HN -0.039 8.174 8.360 0.068 0.187 0.453 235 V N -3.520 116.437 119.914 0.072 0.000 3.541 235 V HA -0.081 nan 4.120 nan 0.000 0.267 235 V C -0.759 175.383 176.094 0.080 0.000 1.213 235 V CA 0.589 62.940 62.300 0.086 0.000 1.149 235 V CB -0.027 31.852 31.823 0.094 0.000 0.822 235 V HN -0.161 7.859 8.190 0.072 0.213 0.462 236 G N -4.246 104.592 108.800 0.062 0.000 3.254 236 G HA2 -0.126 nan 3.960 nan 0.000 0.219 236 G HA3 -0.126 nan 3.960 nan 0.000 0.219 236 G C -1.413 173.509 174.900 0.037 0.000 0.964 236 G CA -0.178 44.954 45.100 0.053 0.000 0.823 236 G HN -0.491 7.666 8.290 0.058 0.168 0.579 237 A N 0.791 123.630 122.820 0.031 0.000 2.548 237 A HA -0.100 nan 4.320 nan 0.000 0.247 237 A C 0.807 178.392 177.584 0.002 0.000 1.067 237 A CA 1.049 53.092 52.037 0.009 0.000 0.757 237 A CB 0.068 19.064 19.000 -0.006 0.000 0.996 237 A HN -0.433 7.742 8.150 0.041 0.000 0.504 238 T N 0.530 115.082 114.554 -0.003 0.000 2.978 238 T HA -0.064 nan 4.350 nan 0.000 0.262 238 T C 0.425 175.110 174.700 -0.025 0.000 1.063 238 T CA 0.858 62.955 62.100 -0.004 0.000 1.140 238 T CB 0.280 69.150 68.868 0.004 0.000 0.886 238 T HN 0.474 8.614 8.240 -0.001 0.100 0.470 239 E N -0.896 119.272 120.200 -0.053 0.000 2.449 239 E HA 0.289 nan 4.350 nan 0.000 0.278 239 E C -2.468 174.031 176.600 -0.169 0.000 0.992 239 E CA -1.210 55.133 56.400 -0.095 0.000 0.807 239 E CB 4.475 34.125 29.700 -0.084 0.000 1.350 239 E HN -0.699 7.610 8.360 -0.052 0.019 0.462 240 C N -0.150 118.973 119.300 -0.295 0.000 2.481 240 C HA 0.770 nan 4.460 nan 0.000 0.324 240 C C -1.176 173.424 174.990 -0.649 0.000 1.170 240 C CA -0.983 57.684 59.018 -0.585 0.000 1.361 240 C CB 1.989 29.135 27.740 -0.991 0.000 1.977 240 C HN 0.115 8.190 8.230 -0.259 0.000 0.459 241 V N 2.247 121.882 119.914 -0.466 0.000 2.495 241 V HA 0.465 nan 4.120 nan 0.000 0.298 241 V C -2.143 173.963 176.094 0.020 0.000 1.031 241 V CA -2.464 59.731 62.300 -0.175 0.000 0.871 241 V CB 2.400 34.230 31.823 0.012 0.000 0.988 241 V HN 1.008 8.956 8.190 -0.404 0.000 0.432 242 N N 5.259 124.090 118.700 0.220 0.000 2.414 242 N HA 0.446 nan 4.740 nan 0.000 0.256 242 N C -0.664 174.989 175.510 0.238 0.000 1.029 242 N CA -3.574 49.678 53.050 0.336 0.000 0.948 242 N CB 0.966 39.636 38.487 0.305 0.000 1.102 242 N HN 0.111 8.582 8.380 0.152 0.000 0.496 243 P HA -0.333 nan 4.420 nan 0.000 0.217 243 P C 1.007 178.427 177.300 0.199 0.000 1.151 243 P CA 2.296 65.547 63.100 0.251 0.000 0.849 243 P CB 0.429 32.237 31.700 0.180 0.000 0.787 244 Q N -4.817 115.045 119.800 0.102 0.000 2.466 244 Q HA -0.157 nan 4.340 nan 0.000 0.210 244 Q C 0.950 176.924 176.000 -0.043 0.000 0.961 244 Q CA 1.440 57.269 55.803 0.044 0.000 0.953 244 Q CB -0.784 27.973 28.738 0.030 0.000 1.011 244 Q HN 0.093 8.744 8.270 0.103 -0.320 0.516 245 D N -1.788 118.505 120.400 -0.178 0.000 2.305 245 D HA 0.040 nan 4.640 nan 0.000 0.206 245 D C -0.152 175.852 176.300 -0.493 0.000 0.974 245 D CA 1.690 55.440 54.000 -0.416 0.000 0.871 245 D CB 0.995 41.349 40.800 -0.742 0.000 0.947 245 D HN -0.309 7.890 8.370 -0.131 0.092 0.516 246 Y N -0.669 119.647 120.300 0.027 0.000 2.568 246 Y HA 0.215 nan 4.550 nan 0.000 0.327 246 Y C 0.684 176.595 175.900 0.019 0.000 1.163 246 Y CA -0.986 57.126 58.100 0.019 0.000 1.219 246 Y CB 1.700 40.170 38.460 0.017 0.000 1.308 246 Y HN -0.861 7.384 8.280 0.019 0.046 0.503 247 K N -0.264 120.250 120.400 0.190 0.000 2.335 247 K HA -0.040 nan 4.320 nan 0.000 0.195 247 K C -0.101 176.559 176.600 0.100 0.000 1.058 247 K CA 0.499 56.851 56.287 0.108 0.000 0.988 247 K CB 0.699 33.243 32.500 0.073 0.000 0.880 247 K HN 0.186 8.568 8.250 0.221 0.000 0.513 248 K N 1.757 122.222 120.400 0.109 0.000 2.276 248 K HA 0.081 nan 4.320 nan 0.000 0.259 248 K C -2.124 174.503 176.600 0.045 0.000 1.001 248 K CA -1.801 54.515 56.287 0.048 0.000 0.927 248 K CB -0.022 32.484 32.500 0.009 0.000 0.969 248 K HN -0.579 7.766 8.250 0.159 0.000 0.490 249 P HA -0.112 nan 4.420 nan 0.000 0.269 249 P C 0.354 177.641 177.300 -0.021 0.000 1.200 249 P CA 0.424 63.532 63.100 0.013 0.000 0.779 249 P CB 0.586 32.287 31.700 0.001 0.000 0.841 250 I N -0.832 119.746 120.570 0.013 0.000 2.494 250 I HA -0.267 nan 4.170 nan 0.000 0.250 250 I C 1.263 177.373 176.117 -0.011 0.000 1.112 250 I CA 3.091 64.386 61.300 -0.007 0.000 1.438 250 I CB -0.247 37.808 38.000 0.092 0.000 1.111 250 I HN 0.452 8.688 8.210 0.042 0.000 0.431 251 Q N -0.207 119.609 119.800 0.026 0.000 2.224 251 Q HA -0.279 nan 4.340 nan 0.000 0.203 251 Q C 1.854 177.832 176.000 -0.036 0.000 0.970 251 Q CA 3.069 58.881 55.803 0.015 0.000 0.865 251 Q CB -1.323 27.411 28.738 -0.006 0.000 0.922 251 Q HN 0.326 8.618 8.270 0.037 0.000 0.445 252 E N -0.303 119.866 120.200 -0.052 0.000 2.008 252 E HA -0.169 nan 4.350 nan 0.000 0.191 252 E C 2.171 178.709 176.600 -0.103 0.000 0.986 252 E CA 2.966 59.325 56.400 -0.068 0.000 0.807 252 E CB -0.202 29.463 29.700 -0.058 0.000 0.766 252 E HN 0.099 8.403 8.360 -0.042 0.031 0.450 253 V N -4.007 115.808 119.914 -0.165 0.000 3.186 253 V HA -0.161 nan 4.120 nan 0.000 0.270 253 V C 2.081 178.046 176.094 -0.214 0.000 1.149 253 V CA 2.904 65.046 62.300 -0.264 0.000 1.160 253 V CB -1.442 30.020 31.823 -0.600 0.000 0.758 253 V HN -0.202 7.891 8.190 -0.162 0.000 0.516 254 L N -0.919 120.221 121.223 -0.138 0.000 2.221 254 L HA -0.041 nan 4.340 nan 0.000 0.202 254 L C 2.147 178.975 176.870 -0.069 0.000 1.074 254 L CA 2.783 57.566 54.840 -0.094 0.000 0.795 254 L CB -0.029 42.006 42.059 -0.041 0.000 0.960 254 L HN 0.115 8.134 8.230 -0.114 0.143 0.458 255 T N -0.980 113.536 114.554 -0.063 0.000 2.821 255 T HA -0.346 nan 4.350 nan 0.000 0.267 255 T C 1.811 176.475 174.700 -0.059 0.000 1.046 255 T CA 4.089 66.152 62.100 -0.061 0.000 1.139 255 T CB -0.775 68.053 68.868 -0.068 0.000 0.871 255 T HN 0.109 8.208 8.240 -0.064 0.102 0.454 256 E N 2.122 122.283 120.200 -0.066 0.000 2.023 256 E HA -0.378 nan 4.350 nan 0.000 0.196 256 E C 2.365 178.934 176.600 -0.053 0.000 1.003 256 E CA 3.160 59.525 56.400 -0.059 0.000 0.809 256 E CB -0.217 29.440 29.700 -0.071 0.000 0.755 256 E HN 0.052 8.367 8.360 -0.074 0.000 0.449 257 M N -1.455 118.105 119.600 -0.066 0.000 2.108 257 M HA -0.307 nan 4.480 nan 0.000 0.257 257 M C 2.310 178.587 176.300 -0.038 0.000 1.071 257 M CA 3.356 58.622 55.300 -0.056 0.000 1.093 257 M CB 0.314 32.870 32.600 -0.074 0.000 1.345 257 M HN -0.578 7.660 8.290 -0.086 0.000 0.403 258 S N -4.830 110.847 115.700 -0.038 0.000 2.577 258 S HA -0.021 nan 4.470 nan 0.000 0.219 258 S C 0.194 174.780 174.600 -0.023 0.000 0.962 258 S CA 0.127 58.312 58.200 -0.025 0.000 0.921 258 S CB 0.360 63.545 63.200 -0.025 0.000 0.789 258 S HN -0.335 7.821 8.310 -0.047 0.126 0.497 259 N N 2.030 120.714 118.700 -0.027 0.000 2.708 259 N HA -0.259 nan 4.740 nan 0.000 0.255 259 N C 0.022 175.515 175.510 -0.029 0.000 1.046 259 N CA 0.833 53.869 53.050 -0.023 0.000 0.715 259 N CB -1.006 37.474 38.487 -0.011 0.000 0.895 259 N HN -0.303 7.943 8.380 -0.033 0.114 0.545 260 G N -3.157 105.616 108.800 -0.045 0.000 2.192 260 G HA2 -0.323 nan 3.960 nan 0.000 0.193 260 G HA3 -0.323 nan 3.960 nan 0.000 0.193 260 G C -1.874 172.968 174.900 -0.096 0.000 0.999 260 G CA -0.171 44.890 45.100 -0.066 0.000 0.659 260 G HN 0.250 8.511 8.290 -0.047 0.000 0.503 261 G N -2.944 105.808 108.800 -0.081 0.000 2.675 261 G HA2 -0.304 nan 3.960 nan 0.000 0.686 261 G HA3 -0.304 nan 3.960 nan 0.000 0.686 261 G C -0.786 174.065 174.900 -0.083 0.000 1.215 261 G CA -0.702 44.343 45.100 -0.092 0.000 0.777 261 G HN -0.914 7.340 8.290 -0.060 0.000 0.638 262 V N -5.054 114.825 119.914 -0.060 0.000 3.133 262 V HA 0.442 nan 4.120 nan 0.000 0.305 262 V C -0.053 175.990 176.094 -0.084 0.000 1.084 262 V CA -1.721 60.561 62.300 -0.030 0.000 1.089 262 V CB 1.613 33.451 31.823 0.025 0.000 1.073 262 V HN 0.018 8.176 8.190 -0.053 0.000 0.477 263 D N 3.357 123.709 120.400 -0.080 0.000 2.075 263 D HA -0.140 nan 4.640 nan 0.000 0.196 263 D C 0.291 176.277 176.300 -0.522 0.000 0.985 263 D CA 4.785 58.604 54.000 -0.301 0.000 0.834 263 D CB 0.746 41.317 40.800 -0.381 0.000 0.987 263 D HN 0.055 8.425 8.370 -0.000 0.000 0.452 264 F N -3.630 116.320 119.950 0.001 0.000 2.469 264 F HA 0.514 nan 4.527 nan 0.000 0.332 264 F C -1.389 174.304 175.800 -0.178 0.000 1.103 264 F CA -1.513 56.419 58.000 -0.113 0.000 0.979 264 F CB 2.542 41.531 39.000 -0.018 0.000 1.137 264 F HN -0.724 7.654 8.300 0.130 0.000 0.463 265 S N 0.167 115.758 115.700 -0.180 0.000 2.548 265 S HA 0.857 nan 4.470 nan 0.000 0.286 265 S C -1.472 172.934 174.600 -0.323 0.000 1.098 265 S CA -1.584 56.587 58.200 -0.047 0.000 0.930 265 S CB 2.483 65.711 63.200 0.046 0.000 1.070 265 S HN 0.619 8.765 8.310 -0.273 0.000 0.480 266 F N -0.400 119.699 119.950 0.249 0.000 2.540 266 F HA 0.486 nan 4.527 nan 0.000 0.317 266 F C -1.585 174.346 175.800 0.218 0.000 1.104 266 F CA -1.057 57.050 58.000 0.178 0.000 0.913 266 F CB 3.956 43.033 39.000 0.128 0.000 1.170 266 F HN 0.695 9.307 8.300 0.521 0.000 0.450 267 E N 3.250 123.605 120.200 0.259 0.000 2.063 267 E HA 0.437 nan 4.350 nan 0.000 0.265 267 E C -0.349 176.385 176.600 0.223 0.000 0.919 267 E CA -1.012 55.515 56.400 0.211 0.000 0.756 267 E CB 1.549 31.277 29.700 0.048 0.000 1.120 267 E HN 0.219 8.706 8.360 0.211 0.000 0.414 268 V N 3.232 123.293 119.914 0.244 0.000 3.444 268 V HA 0.334 nan 4.120 nan 0.000 0.308 268 V C -0.773 175.415 176.094 0.156 0.000 1.371 268 V CA -0.242 62.163 62.300 0.175 0.000 1.141 268 V CB -0.722 31.187 31.823 0.144 0.000 1.037 268 V HN 0.839 9.116 8.190 0.301 0.093 0.433 269 I N 0.109 120.783 120.570 0.173 0.000 2.500 269 I HA -0.072 nan 4.170 nan 0.000 0.252 269 I C 0.889 177.079 176.117 0.121 0.000 1.142 269 I CA 0.631 62.020 61.300 0.148 0.000 1.451 269 I CB 0.375 38.475 38.000 0.166 0.000 1.093 269 I HN -0.679 7.589 8.210 0.209 0.067 0.430 270 G N -2.069 106.797 108.800 0.110 0.000 2.143 270 G HA2 -0.340 nan 3.960 nan 0.000 0.248 270 G HA3 -0.340 nan 3.960 nan 0.000 0.248 270 G C -1.085 173.859 174.900 0.073 0.000 0.991 270 G CA 0.049 45.203 45.100 0.089 0.000 0.689 270 G HN -0.092 8.449 8.290 0.116 -0.182 0.522 271 R N -2.935 117.608 120.500 0.071 0.000 2.902 271 R HA 0.351 nan 4.340 nan 0.000 0.258 271 R C -0.111 176.218 176.300 0.048 0.000 1.071 271 R CA -1.956 54.179 56.100 0.058 0.000 1.024 271 R CB 1.817 32.155 30.300 0.064 0.000 1.184 271 R HN -0.561 8.016 8.270 0.079 -0.260 0.492 272 L N 0.218 121.465 121.223 0.041 0.000 2.027 272 L HA -0.328 nan 4.340 nan 0.000 0.206 272 L C 1.359 178.254 176.870 0.041 0.000 1.074 272 L CA 3.313 58.178 54.840 0.043 0.000 0.745 272 L CB -0.879 41.200 42.059 0.034 0.000 0.898 272 L HN 0.504 8.757 8.230 0.038 0.000 0.433 273 D N -2.779 117.641 120.400 0.033 0.000 2.103 273 D HA -0.328 nan 4.640 nan 0.000 0.190 273 D C 1.859 178.161 176.300 0.003 0.000 0.997 273 D CA 3.224 57.238 54.000 0.024 0.000 0.833 273 D CB -1.178 39.645 40.800 0.037 0.000 0.961 273 D HN 0.141 8.534 8.370 0.037 0.000 0.447 274 T N -5.562 108.997 114.554 0.009 0.000 3.072 274 T HA -0.042 nan 4.350 nan 0.000 0.266 274 T C 1.845 176.429 174.700 -0.193 0.000 1.127 274 T CA 2.114 64.178 62.100 -0.059 0.000 1.107 274 T CB -0.869 68.037 68.868 0.064 0.000 0.910 274 T HN 0.287 8.550 8.240 0.038 0.000 0.513 275 M N 1.721 121.284 119.600 -0.061 0.000 2.193 275 M HA -0.235 nan 4.480 nan 0.000 0.265 275 M C 1.591 177.889 176.300 -0.004 0.000 1.071 275 M CA 3.933 59.240 55.300 0.012 0.000 1.140 275 M CB -0.002 32.690 32.600 0.154 0.000 1.369 275 M HN -0.519 7.610 8.290 -0.003 0.159 0.423 276 V N -0.206 119.693 119.914 -0.025 0.000 2.379 276 V HA -0.420 nan 4.120 nan 0.000 0.245 276 V C 1.618 177.580 176.094 -0.220 0.000 1.044 276 V CA 4.675 66.894 62.300 -0.136 0.000 1.036 276 V CB -0.447 31.348 31.823 -0.047 0.000 0.664 276 V HN -0.256 7.943 8.190 0.015 0.000 0.453 277 T N 1.277 115.719 114.554 -0.186 0.000 2.635 277 T HA -0.411 nan 4.350 nan 0.000 0.267 277 T C 1.427 175.936 174.700 -0.320 0.000 1.040 277 T CA 5.213 67.201 62.100 -0.187 0.000 1.156 277 T CB -0.502 68.307 68.868 -0.098 0.000 0.863 277 T HN -0.099 8.061 8.240 -0.133 0.000 0.430 278 A N 0.157 122.597 122.820 -0.632 0.000 2.024 278 A HA -0.210 nan 4.320 nan 0.000 0.220 278 A C 1.656 178.998 177.584 -0.404 0.000 1.164 278 A CA 2.850 54.425 52.037 -0.769 0.000 0.643 278 A CB -0.959 17.478 19.000 -0.938 0.000 0.806 278 A HN 0.080 7.725 8.150 -0.646 0.117 0.451 279 L N -1.722 119.236 121.223 -0.441 0.000 1.973 279 L HA -0.335 nan 4.340 nan 0.000 0.208 279 L C 1.954 178.607 176.870 -0.362 0.000 1.073 279 L CA 2.994 57.508 54.840 -0.543 0.000 0.746 279 L CB -0.302 41.263 42.059 -0.823 0.000 0.891 279 L HN -0.625 7.218 8.230 -0.432 0.127 0.433 280 S N -1.258 114.267 115.700 -0.291 0.000 2.440 280 S HA -0.292 nan 4.470 nan 0.000 0.238 280 S C 1.643 176.152 174.600 -0.152 0.000 1.010 280 S CA 3.090 61.167 58.200 -0.205 0.000 0.972 280 S CB -0.510 62.597 63.200 -0.155 0.000 0.774 280 S HN -0.216 7.917 8.310 -0.296 0.000 0.501 281 C N -4.036 115.195 119.300 -0.114 0.000 2.668 281 C HA 0.499 nan 4.460 nan 0.000 0.301 281 C C -0.525 174.424 174.990 -0.068 0.000 1.351 281 C CA -3.367 55.615 59.018 -0.059 0.000 1.757 281 C CB -1.747 26.012 27.740 0.032 0.000 2.179 281 C HN -0.536 7.581 8.230 -0.131 0.035 0.586 282 C N -0.663 118.558 119.300 -0.132 0.000 2.401 282 C HA 0.561 nan 4.460 nan 0.000 0.356 282 C C -0.960 173.892 174.990 -0.230 0.000 1.192 282 C CA -3.166 55.757 59.018 -0.159 0.000 2.028 282 C CB 2.461 30.096 27.740 -0.176 0.000 2.344 282 C HN -0.120 7.948 8.230 -0.172 0.059 0.525 283 Q N 1.136 120.750 119.800 -0.310 0.000 2.286 283 Q HA -0.252 nan 4.340 nan 0.000 0.290 283 Q C 1.047 176.778 176.000 -0.449 0.000 1.049 283 Q CA 0.849 56.384 55.803 -0.447 0.000 0.923 283 Q CB 0.421 28.681 28.738 -0.796 0.000 1.183 283 Q HN 0.341 8.431 8.270 -0.300 0.000 0.383 284 E N 7.903 127.894 120.200 -0.349 0.000 2.086 284 E HA -0.422 nan 4.350 nan 0.000 0.200 284 E C 1.411 177.851 176.600 -0.267 0.000 1.012 284 E CA 3.639 59.879 56.400 -0.268 0.000 0.812 284 E CB 0.037 29.618 29.700 -0.199 0.000 0.743 284 E HN 0.800 8.981 8.360 -0.298 0.000 0.453 285 A N -2.231 120.387 122.820 -0.337 0.000 2.147 285 A HA -0.004 nan 4.320 nan 0.000 0.211 285 A C 0.264 177.774 177.584 -0.123 0.000 1.160 285 A CA 1.713 53.640 52.037 -0.183 0.000 0.781 285 A CB 0.595 19.568 19.000 -0.044 0.000 0.842 285 A HN 0.145 8.338 8.150 -0.435 -0.304 0.475 286 Y N -8.408 111.830 120.300 -0.105 0.000 2.926 286 Y HA 0.300 nan 4.550 nan 0.000 0.258 286 Y C -0.570 175.224 175.900 -0.177 0.000 1.110 286 Y CA -2.303 55.726 58.100 -0.118 0.000 1.224 286 Y CB -0.611 37.784 38.460 -0.108 0.000 1.276 286 Y HN -0.716 7.112 8.280 -1.014 -0.157 0.595 287 G N 1.086 109.687 108.800 -0.332 0.000 2.432 287 G HA2 0.092 nan 3.960 nan 0.000 0.257 287 G HA3 0.092 nan 3.960 nan 0.000 0.257 287 G C -2.388 172.396 174.900 -0.193 0.000 1.238 287 G CA -0.282 44.642 45.100 -0.292 0.000 0.838 287 G HN -0.233 7.781 8.290 -0.372 0.052 0.547 288 V N 2.782 122.586 119.914 -0.184 0.000 2.555 288 V HA 0.677 nan 4.120 nan 0.000 0.302 288 V C -1.484 174.556 176.094 -0.089 0.000 1.038 288 V CA -1.595 60.672 62.300 -0.055 0.000 0.887 288 V CB 2.465 34.352 31.823 0.107 0.000 0.991 288 V HN 0.174 8.194 8.190 -0.283 0.000 0.434 289 S N 4.548 120.205 115.700 -0.072 0.000 2.605 289 S HA 0.660 nan 4.470 nan 0.000 0.308 289 S C -1.951 172.698 174.600 0.082 0.000 1.113 289 S CA -1.397 56.743 58.200 -0.100 0.000 1.049 289 S CB 1.938 65.019 63.200 -0.198 0.000 1.001 289 S HN 0.508 8.814 8.310 -0.006 0.000 0.480 290 V N 7.904 127.767 119.914 -0.085 0.000 2.394 290 V HA 0.495 nan 4.120 nan 0.000 0.282 290 V C -0.844 175.317 176.094 0.111 0.000 1.031 290 V CA -1.038 61.286 62.300 0.040 0.000 0.881 290 V CB 1.507 33.378 31.823 0.081 0.000 0.982 290 V HN 0.315 8.297 8.190 -0.346 0.000 0.451 291 I N 7.694 128.310 120.570 0.077 0.000 2.294 291 I HA 0.016 nan 4.170 nan 0.000 0.295 291 I C 0.220 176.371 176.117 0.057 0.000 1.098 291 I CA 0.445 61.777 61.300 0.054 0.000 1.277 291 I CB -1.042 36.916 38.000 -0.069 0.000 1.434 291 I HN 0.026 8.243 8.210 0.011 0.000 0.498 292 V N 7.883 127.868 119.914 0.118 0.000 2.270 292 V HA -0.166 nan 4.120 nan 0.000 0.245 292 V C 0.213 176.351 176.094 0.073 0.000 1.043 292 V CA 2.423 64.786 62.300 0.105 0.000 1.014 292 V CB -0.058 31.845 31.823 0.133 0.000 0.645 292 V HN -0.211 8.072 8.190 0.155 0.000 0.447 293 G N -3.428 105.418 108.800 0.076 0.000 2.667 293 G HA2 0.229 nan 3.960 nan 0.000 0.298 293 G HA3 0.229 nan 3.960 nan 0.000 0.298 293 G C -3.355 171.576 174.900 0.052 0.000 1.377 293 G CA -0.705 44.435 45.100 0.066 0.000 0.964 293 G HN -0.732 7.611 8.290 0.088 0.000 0.493 294 V N -0.566 119.364 119.914 0.027 0.000 2.577 294 V HA 0.567 nan 4.120 nan 0.000 0.303 294 V C -1.737 174.355 176.094 -0.003 0.000 1.042 294 V CA -4.771 57.530 62.300 0.003 0.000 0.872 294 V CB 1.833 33.626 31.823 -0.050 0.000 0.998 294 V HN 0.090 8.295 8.190 0.025 0.000 0.423 295 P HA 0.472 nan 4.420 nan 0.000 0.272 295 P C -1.727 175.469 177.300 -0.173 0.000 1.240 295 P CA -1.819 61.220 63.100 -0.101 0.000 0.791 295 P CB 0.327 31.998 31.700 -0.048 0.000 0.978 296 P HA -0.037 nan 4.420 nan 0.000 0.226 296 P C -1.028 176.201 177.300 -0.118 0.000 1.153 296 P CA 1.455 64.449 63.100 -0.177 0.000 0.777 296 P CB -0.056 31.526 31.700 -0.197 0.000 0.794 297 D N -5.356 114.969 120.400 -0.125 0.000 2.525 297 D HA 0.011 nan 4.640 nan 0.000 0.229 297 D C -0.258 176.011 176.300 -0.051 0.000 1.202 297 D CA -0.935 53.023 54.000 -0.070 0.000 0.828 297 D CB -0.699 40.064 40.800 -0.061 0.000 1.008 297 D HN 0.033 8.242 8.370 -0.168 0.060 0.493 298 S N 0.290 115.956 115.700 -0.057 0.000 2.546 298 S HA -0.098 nan 4.470 nan 0.000 0.290 298 S C 0.238 174.818 174.600 -0.033 0.000 1.290 298 S CA 1.109 59.284 58.200 -0.042 0.000 1.069 298 S CB 0.635 63.805 63.200 -0.049 0.000 0.846 298 S HN -0.444 7.744 8.310 -0.070 0.080 0.495 299 Q N 3.983 123.770 119.800 -0.021 0.000 2.177 299 Q HA 0.094 nan 4.340 nan 0.000 0.183 299 Q C -0.887 175.103 176.000 -0.017 0.000 1.040 299 Q CA -0.785 55.009 55.803 -0.015 0.000 1.089 299 Q CB 0.715 29.450 28.738 -0.006 0.000 1.130 299 Q HN 0.037 8.297 8.270 -0.016 0.000 0.575 300 N N 0.678 119.372 118.700 -0.011 0.000 2.479 300 N HA 0.142 nan 4.740 nan 0.000 0.285 300 N C -1.003 174.510 175.510 0.006 0.000 1.075 300 N CA 0.046 53.092 53.050 -0.008 0.000 0.967 300 N CB 0.401 38.885 38.487 -0.005 0.000 1.137 300 N HN 0.040 8.415 8.380 -0.008 0.000 0.472 301 L N 1.490 122.723 121.223 0.017 0.000 2.416 301 L HA 0.366 nan 4.340 nan 0.000 0.262 301 L C -0.059 176.838 176.870 0.044 0.000 1.093 301 L CA -0.911 53.953 54.840 0.040 0.000 0.801 301 L CB 1.131 43.236 42.059 0.077 0.000 1.191 301 L HN -0.149 8.086 8.230 0.009 0.000 0.459 302 S N 2.508 118.233 115.700 0.041 0.000 2.456 302 S HA 0.342 nan 4.470 nan 0.000 0.316 302 S C -1.596 173.026 174.600 0.035 0.000 1.089 302 S CA 0.114 58.334 58.200 0.032 0.000 1.101 302 S CB 0.505 63.715 63.200 0.017 0.000 0.995 302 S HN 0.103 8.436 8.310 0.039 0.000 0.468 303 M N 5.669 125.293 119.600 0.041 0.000 2.501 303 M HA 0.247 nan 4.480 nan 0.000 0.293 303 M C -2.375 173.925 176.300 -0.000 0.000 1.192 303 M CA -0.318 54.995 55.300 0.021 0.000 0.886 303 M CB 3.089 35.745 32.600 0.092 0.000 1.710 303 M HN -0.018 8.298 8.290 0.044 0.000 0.457 304 N N 4.912 123.591 118.700 -0.034 0.000 2.426 304 N HA 0.421 nan 4.740 nan 0.000 0.257 304 N C -0.892 174.596 175.510 -0.037 0.000 1.002 304 N CA -2.335 50.697 53.050 -0.031 0.000 0.942 304 N CB 0.972 39.436 38.487 -0.039 0.000 1.112 304 N HN 0.305 8.650 8.380 -0.059 0.000 0.499 305 P HA -0.248 nan 4.420 nan 0.000 0.218 305 P C 1.526 178.806 177.300 -0.033 0.000 1.146 305 P CA 1.951 65.044 63.100 -0.012 0.000 0.813 305 P CB 0.221 31.921 31.700 0.000 0.000 0.778 306 M N -2.370 117.206 119.600 -0.039 0.000 2.192 306 M HA -0.389 nan 4.480 nan 0.000 0.256 306 M C 2.089 178.346 176.300 -0.072 0.000 1.076 306 M CA 2.903 58.173 55.300 -0.050 0.000 1.075 306 M CB -0.895 31.677 32.600 -0.047 0.000 1.368 306 M HN -0.767 7.642 8.290 -0.033 -0.139 0.406 307 L N -3.611 117.553 121.223 -0.098 0.000 2.362 307 L HA -0.242 nan 4.340 nan 0.000 0.219 307 L C 2.420 179.208 176.870 -0.137 0.000 1.134 307 L CA 2.201 56.958 54.840 -0.140 0.000 0.807 307 L CB -0.611 41.329 42.059 -0.197 0.000 0.927 307 L HN 0.109 8.259 8.230 -0.095 0.024 0.447 308 L N -1.809 119.357 121.223 -0.096 0.000 2.354 308 L HA -0.147 nan 4.340 nan 0.000 0.212 308 L C 1.861 178.699 176.870 -0.054 0.000 1.091 308 L CA 1.982 56.779 54.840 -0.071 0.000 0.828 308 L CB -0.199 41.847 42.059 -0.022 0.000 0.973 308 L HN 0.211 8.241 8.230 -0.078 0.152 0.461 309 L N 0.913 122.106 121.223 -0.049 0.000 2.081 309 L HA -0.371 nan 4.340 nan 0.000 0.212 309 L C 1.167 178.012 176.870 -0.042 0.000 1.080 309 L CA 3.017 57.834 54.840 -0.038 0.000 0.754 309 L CB -0.090 41.948 42.059 -0.036 0.000 0.893 309 L HN -0.443 7.651 8.230 -0.053 0.105 0.433 310 S N -3.258 112.406 115.700 -0.059 0.000 2.522 310 S HA -0.048 nan 4.470 nan 0.000 0.227 310 S C 0.830 175.394 174.600 -0.060 0.000 0.986 310 S CA 0.622 58.785 58.200 -0.062 0.000 0.929 310 S CB 0.656 63.805 63.200 -0.084 0.000 0.769 310 S HN -0.138 8.115 8.310 -0.072 0.013 0.529 311 G N 1.013 109.776 108.800 -0.060 0.000 2.273 311 G HA2 -0.296 nan 3.960 nan 0.000 0.162 311 G HA3 -0.296 nan 3.960 nan 0.000 0.162 311 G C -1.037 173.824 174.900 -0.066 0.000 1.006 311 G CA -0.421 44.653 45.100 -0.044 0.000 0.704 311 G HN -0.124 7.976 8.290 -0.064 0.151 0.487 312 R N 1.133 121.568 120.500 -0.107 0.000 2.585 312 R HA -0.091 nan 4.340 nan 0.000 0.275 312 R C -0.114 176.148 176.300 -0.064 0.000 1.018 312 R CA 1.142 57.167 56.100 -0.125 0.000 1.072 312 R CB 0.375 30.564 30.300 -0.185 0.000 0.953 312 R HN -0.446 7.753 8.270 -0.120 0.000 0.419 313 T N 6.395 120.928 114.554 -0.035 0.000 2.824 313 T HA 0.325 nan 4.350 nan 0.000 0.280 313 T C -1.730 173.032 174.700 0.102 0.000 0.995 313 T CA -0.278 61.844 62.100 0.037 0.000 1.009 313 T CB 1.654 70.550 68.868 0.047 0.000 0.955 313 T HN 0.541 8.744 8.240 -0.061 0.000 0.452 314 W N 4.887 126.155 121.300 -0.055 0.000 2.830 314 W HA 0.416 nan 4.660 nan 0.000 0.335 314 W C -1.938 174.548 176.519 -0.055 0.000 1.043 314 W CA -1.993 55.312 57.345 -0.067 0.000 1.239 314 W CB 1.676 31.094 29.460 -0.070 0.000 1.378 314 W HN 0.170 8.480 8.180 0.217 0.000 0.456 315 K N 5.105 125.591 120.400 0.142 0.000 2.395 315 K HA 0.566 nan 4.320 nan 0.000 0.247 315 K C -1.312 175.215 176.600 -0.121 0.000 0.973 315 K CA -1.352 54.925 56.287 -0.017 0.000 0.828 315 K CB 4.127 36.640 32.500 0.022 0.000 1.272 315 K HN 0.439 8.860 8.250 0.285 0.000 0.439 316 G N -0.623 108.086 108.800 -0.151 0.000 2.605 316 G HA2 0.813 nan 3.960 nan 0.000 0.296 316 G HA3 0.813 nan 3.960 nan 0.000 0.296 316 G C -2.274 172.562 174.900 -0.108 0.000 1.304 316 G CA -0.818 44.192 45.100 -0.150 0.000 0.941 316 G HN -0.025 8.182 8.290 -0.137 0.000 0.475 317 A N 0.406 123.176 122.820 -0.083 0.000 2.612 317 A HA 0.409 nan 4.320 nan 0.000 0.293 317 A C -1.521 176.052 177.584 -0.018 0.000 1.075 317 A CA 0.243 52.242 52.037 -0.064 0.000 0.680 317 A CB 2.614 21.586 19.000 -0.048 0.000 1.279 317 A HN 0.210 8.318 8.150 -0.069 0.000 0.411 318 I N 0.332 120.924 120.570 0.035 0.000 2.460 318 I HA 0.389 nan 4.170 nan 0.000 0.298 318 I C 0.509 176.816 176.117 0.316 0.000 0.989 318 I CA -0.765 60.654 61.300 0.199 0.000 1.173 318 I CB 2.331 40.497 38.000 0.277 0.000 1.338 318 I HN 0.669 8.883 8.210 0.008 0.000 0.456 319 F N 6.454 126.527 119.950 0.205 0.000 3.090 319 F HA -0.406 nan 4.527 nan 0.000 0.282 319 F C -0.125 175.753 175.800 0.130 0.000 0.923 319 F CA 0.457 58.561 58.000 0.173 0.000 0.977 319 F CB -0.723 38.276 39.000 -0.001 0.000 0.954 319 F HN 0.915 9.528 8.300 0.521 0.000 0.695 320 G N -3.168 105.566 108.800 -0.110 0.000 2.168 320 G HA2 -0.464 nan 3.960 nan 0.000 0.257 320 G HA3 -0.464 nan 3.960 nan 0.000 0.257 320 G C 0.286 174.866 174.900 -0.532 0.000 0.997 320 G CA 0.196 45.076 45.100 -0.366 0.000 0.708 320 G HN 0.196 8.497 8.290 0.019 0.000 0.520 321 G N -3.207 105.461 108.800 -0.220 0.000 2.187 321 G HA2 -0.484 nan 3.960 nan 0.000 0.261 321 G HA3 -0.484 nan 3.960 nan 0.000 0.261 321 G C -0.569 174.272 174.900 -0.099 0.000 1.000 321 G CA 0.293 45.311 45.100 -0.137 0.000 0.718 321 G HN -0.351 7.835 8.290 -0.071 0.061 0.519 322 F N -0.587 119.310 119.950 -0.088 0.000 2.399 322 F HA -0.033 nan 4.527 nan 0.000 0.342 322 F C -0.274 175.601 175.800 0.126 0.000 1.106 322 F CA -0.639 57.326 58.000 -0.058 0.000 1.196 322 F CB 0.893 39.714 39.000 -0.299 0.000 1.163 322 F HN -0.675 7.534 8.300 -0.099 0.032 0.547 323 K N 3.277 123.866 120.400 0.315 0.000 2.316 323 K HA 0.181 nan 4.320 nan 0.000 0.289 323 K C 0.973 177.714 176.600 0.236 0.000 1.070 323 K CA -0.227 56.195 56.287 0.225 0.000 0.928 323 K CB 0.227 32.814 32.500 0.145 0.000 1.039 323 K HN 0.105 8.541 8.250 0.310 0.000 0.480 324 S N 7.477 123.307 115.700 0.218 0.000 2.353 324 S HA -0.382 nan 4.470 nan 0.000 0.222 324 S C 1.739 176.390 174.600 0.084 0.000 1.035 324 S CA 3.491 61.799 58.200 0.181 0.000 1.025 324 S CB -0.311 62.809 63.200 -0.133 0.000 0.902 324 S HN 0.827 9.223 8.310 0.143 0.000 0.440 325 K N 1.154 121.570 120.400 0.027 0.000 2.097 325 K HA -0.257 nan 4.320 nan 0.000 0.205 325 K C 1.696 178.314 176.600 0.031 0.000 1.050 325 K CA 2.556 58.851 56.287 0.014 0.000 0.938 325 K CB -0.200 32.298 32.500 -0.003 0.000 0.718 325 K HN -0.562 7.816 8.250 0.015 -0.119 0.442 326 D N -1.778 118.650 120.400 0.047 0.000 2.092 326 D HA -0.115 nan 4.640 nan 0.000 0.193 326 D C 2.259 178.579 176.300 0.033 0.000 0.994 326 D CA 2.868 56.896 54.000 0.047 0.000 0.828 326 D CB 0.281 41.122 40.800 0.067 0.000 0.963 326 D HN -0.263 8.480 8.370 0.056 -0.340 0.450 327 S N -0.498 115.218 115.700 0.027 0.000 2.404 327 S HA 0.001 nan 4.470 nan 0.000 0.223 327 S C 2.198 176.733 174.600 -0.108 0.000 1.040 327 S CA 3.020 61.168 58.200 -0.086 0.000 0.957 327 S CB 0.414 63.465 63.200 -0.248 0.000 0.826 327 S HN -0.024 8.332 8.310 0.076 0.000 0.491 328 V N 2.977 122.880 119.914 -0.018 0.000 2.324 328 V HA -0.245 nan 4.120 nan 0.000 0.250 328 V C -1.028 175.079 176.094 0.021 0.000 1.060 328 V CA 6.296 68.608 62.300 0.020 0.000 1.042 328 V CB -2.656 29.223 31.823 0.092 0.000 0.650 328 V HN -0.363 7.857 8.190 0.050 0.000 0.450 329 P HA -0.322 nan 4.420 nan 0.000 0.215 329 P C 1.691 179.009 177.300 0.029 0.000 1.163 329 P CA 3.474 66.590 63.100 0.025 0.000 0.894 329 P CB -0.461 31.251 31.700 0.019 0.000 0.791 330 K N -2.636 117.773 120.400 0.015 0.000 2.155 330 K HA -0.161 nan 4.320 nan 0.000 0.203 330 K C 2.677 179.318 176.600 0.068 0.000 1.052 330 K CA 2.968 59.274 56.287 0.030 0.000 0.948 330 K CB -0.215 32.299 32.500 0.023 0.000 0.728 330 K HN -0.330 7.821 8.250 -0.003 0.097 0.448 331 L N -0.861 120.394 121.223 0.053 0.000 2.141 331 L HA -0.332 nan 4.340 nan 0.000 0.209 331 L C 2.019 179.061 176.870 0.287 0.000 1.094 331 L CA 3.315 58.275 54.840 0.200 0.000 0.763 331 L CB -0.338 41.723 42.059 0.003 0.000 0.908 331 L HN 0.216 8.431 8.230 -0.025 0.000 0.437 332 V N -0.196 119.816 119.914 0.164 0.000 2.283 332 V HA -0.471 nan 4.120 nan 0.000 0.243 332 V C 1.713 177.881 176.094 0.123 0.000 1.039 332 V CA 4.472 66.882 62.300 0.183 0.000 1.016 332 V CB -1.115 30.781 31.823 0.121 0.000 0.650 332 V HN -0.171 8.081 8.190 0.104 0.000 0.449 333 A N -1.301 121.555 122.820 0.060 0.000 1.958 333 A HA -0.483 nan 4.320 nan 0.000 0.221 333 A C 2.248 179.803 177.584 -0.048 0.000 1.178 333 A CA 3.497 55.537 52.037 0.005 0.000 0.642 333 A CB -1.024 17.981 19.000 0.009 0.000 0.816 333 A HN 0.169 8.357 8.150 0.063 0.000 0.453 334 D N -0.722 119.651 120.400 -0.045 0.000 2.084 334 D HA -0.223 nan 4.640 nan 0.000 0.196 334 D C 2.085 178.108 176.300 -0.462 0.000 0.985 334 D CA 2.983 56.868 54.000 -0.191 0.000 0.826 334 D CB -0.186 40.554 40.800 -0.100 0.000 0.978 334 D HN -0.391 7.988 8.370 0.035 0.012 0.456 335 F N 1.549 121.094 119.950 -0.675 0.000 2.161 335 F HA -0.346 nan 4.527 nan 0.000 0.300 335 F C 1.866 177.477 175.800 -0.314 0.000 1.089 335 F CA 2.810 60.441 58.000 -0.615 0.000 1.282 335 F CB 0.199 39.078 39.000 -0.202 0.000 1.010 335 F HN -0.369 7.853 8.300 -0.130 0.000 0.485 336 M N -1.363 118.049 119.600 -0.312 0.000 2.229 336 M HA -0.242 nan 4.480 nan 0.000 0.264 336 M C 1.370 177.474 176.300 -0.326 0.000 1.063 336 M CA 1.044 56.120 55.300 -0.373 0.000 1.114 336 M CB -1.319 31.180 32.600 -0.169 0.000 1.387 336 M HN 0.374 8.382 8.290 -0.123 0.208 0.420 337 A N -2.321 120.344 122.820 -0.259 0.000 2.250 337 A HA -0.098 nan 4.320 nan 0.000 0.208 337 A C -0.675 176.772 177.584 -0.228 0.000 1.254 337 A CA -0.086 51.829 52.037 -0.203 0.000 0.858 337 A CB -0.465 18.445 19.000 -0.150 0.000 0.820 337 A HN -0.504 7.412 8.150 -0.235 0.093 0.484 338 K N -4.158 116.056 120.400 -0.310 0.000 3.077 338 K HA -0.461 nan 4.320 nan 0.000 0.264 338 K C -0.107 176.389 176.600 -0.173 0.000 1.008 338 K CA 1.353 57.490 56.287 -0.250 0.000 0.740 338 K CB -2.105 30.291 32.500 -0.175 0.000 1.273 338 K HN -0.340 7.560 8.250 -0.416 0.100 0.477 339 K N -2.265 117.985 120.400 -0.251 0.000 2.102 339 K HA -0.151 nan 4.320 nan 0.000 0.208 339 K C 0.051 176.639 176.600 -0.019 0.000 1.027 339 K CA 0.873 57.066 56.287 -0.156 0.000 0.958 339 K CB 0.717 33.077 32.500 -0.232 0.000 0.819 339 K HN -0.588 7.429 8.250 -0.388 0.000 0.453 340 F N -3.567 116.452 119.950 0.115 0.000 2.370 340 F HA 0.147 nan 4.527 nan 0.000 0.319 340 F C -0.700 175.169 175.800 0.115 0.000 1.129 340 F CA -2.439 55.616 58.000 0.092 0.000 1.109 340 F CB 0.682 39.645 39.000 -0.061 0.000 1.262 340 F HN -0.779 6.911 8.300 -1.017 0.000 0.534 341 A N 0.510 123.483 122.820 0.254 0.000 2.332 341 A HA 0.311 nan 4.320 nan 0.000 0.300 341 A C -1.128 176.482 177.584 0.043 0.000 1.153 341 A CA -0.809 51.348 52.037 0.200 0.000 0.764 341 A CB 1.249 20.330 19.000 0.136 0.000 1.174 341 A HN 0.321 8.617 8.150 0.244 0.000 0.467 342 L N 2.489 123.647 121.223 -0.109 0.000 2.465 342 L HA -0.213 nan 4.340 nan 0.000 0.224 342 L C 1.083 177.896 176.870 -0.094 0.000 1.145 342 L CA 1.591 56.274 54.840 -0.261 0.000 0.834 342 L CB 0.027 41.765 42.059 -0.535 0.000 0.944 342 L HN 0.486 8.676 8.230 -0.067 0.000 0.451 343 D N 0.043 120.436 120.400 -0.012 0.000 2.133 343 D HA -0.188 nan 4.640 nan 0.000 0.195 343 D C 0.463 176.768 176.300 0.008 0.000 0.997 343 D CA 4.681 58.687 54.000 0.010 0.000 0.840 343 D CB -2.455 38.370 40.800 0.041 0.000 0.947 343 D HN 0.410 8.734 8.370 0.032 0.065 0.452 344 P HA -0.112 nan 4.420 nan 0.000 0.222 344 P C 0.993 178.306 177.300 0.023 0.000 1.147 344 P CA 1.955 65.071 63.100 0.027 0.000 0.790 344 P CB -0.144 31.584 31.700 0.048 0.000 0.780 345 L N -4.524 116.709 121.223 0.017 0.000 2.446 345 L HA -0.050 nan 4.340 nan 0.000 0.219 345 L C -1.026 175.850 176.870 0.011 0.000 1.116 345 L CA 0.497 55.352 54.840 0.024 0.000 0.844 345 L CB 0.407 42.485 42.059 0.032 0.000 0.970 345 L HN -0.173 7.891 8.230 0.004 0.168 0.457 346 I N -2.457 118.108 120.570 -0.008 0.000 2.304 346 I HA -0.142 nan 4.170 nan 0.000 0.291 346 I C -0.641 175.454 176.117 -0.036 0.000 1.018 346 I CA 0.599 61.891 61.300 -0.012 0.000 1.260 346 I CB 0.282 38.270 38.000 -0.019 0.000 1.390 346 I HN -0.774 7.276 8.210 -0.012 0.152 0.475 347 T N 7.564 122.093 114.554 -0.043 0.000 2.958 347 T HA 0.273 nan 4.350 nan 0.000 0.256 347 T C -0.168 174.269 174.700 -0.439 0.000 0.983 347 T CA -0.646 61.347 62.100 -0.179 0.000 0.924 347 T CB 1.429 70.259 68.868 -0.063 0.000 1.136 347 T HN 0.473 8.721 8.240 0.014 0.000 0.506 348 H N -1.389 117.668 119.070 -0.021 0.000 3.026 348 H HA 0.199 nan 4.556 nan 0.000 0.352 348 H C -2.550 172.759 175.328 -0.031 0.000 1.090 348 H CA -0.374 55.658 56.048 -0.027 0.000 1.268 348 H CB 4.180 33.922 29.762 -0.034 0.000 1.816 348 H HN -0.514 7.804 8.280 0.064 0.000 0.518 349 V N 4.902 124.857 119.914 0.068 0.000 2.540 349 V HA 0.788 nan 4.120 nan 0.000 0.302 349 V C -2.194 173.911 176.094 0.019 0.000 1.035 349 V CA -2.165 60.153 62.300 0.030 0.000 0.873 349 V CB 1.558 33.388 31.823 0.010 0.000 0.992 349 V HN 0.237 8.457 8.190 0.051 0.000 0.428 350 L N 7.251 128.467 121.223 -0.012 0.000 2.298 350 L HA 0.718 nan 4.340 nan 0.000 0.268 350 L C -2.009 174.826 176.870 -0.058 0.000 1.010 350 L CA -3.515 51.303 54.840 -0.038 0.000 0.812 350 L CB 2.767 44.783 42.059 -0.070 0.000 1.331 350 L HN 0.825 9.042 8.230 -0.023 0.000 0.450 351 P HA 0.292 nan 4.420 nan 0.000 0.277 351 P C 0.251 177.470 177.300 -0.136 0.000 1.240 351 P CA -0.959 62.094 63.100 -0.078 0.000 0.798 351 P CB 0.860 32.531 31.700 -0.050 0.000 0.979 352 F N 3.386 123.113 119.950 -0.372 0.000 2.192 352 F HA -0.517 nan 4.527 nan 0.000 0.301 352 F C 0.733 176.350 175.800 -0.306 0.000 1.079 352 F CA 3.798 61.496 58.000 -0.502 0.000 1.303 352 F CB 0.263 38.718 39.000 -0.909 0.000 1.024 352 F HN 0.742 8.969 8.300 -0.120 0.000 0.494 353 E N -3.113 116.871 120.200 -0.359 0.000 2.204 353 E HA -0.306 nan 4.350 nan 0.000 0.195 353 E C 1.164 177.543 176.600 -0.368 0.000 0.990 353 E CA 2.175 58.337 56.400 -0.396 0.000 0.821 353 E CB -1.190 28.412 29.700 -0.164 0.000 0.750 353 E HN 0.277 8.531 8.360 -0.145 0.018 0.477 354 K N -1.215 119.016 120.400 -0.280 0.000 2.968 354 K HA 0.042 nan 4.320 nan 0.000 0.249 354 K C 0.416 176.868 176.600 -0.246 0.000 1.062 354 K CA -1.379 54.782 56.287 -0.210 0.000 1.215 354 K CB -1.832 30.585 32.500 -0.139 0.000 1.097 354 K HN -0.430 7.638 8.250 -0.254 0.030 0.462 355 I N 1.991 122.319 120.570 -0.404 0.000 2.091 355 I HA -0.553 nan 4.170 nan 0.000 0.239 355 I C 0.545 176.599 176.117 -0.105 0.000 1.061 355 I CA 3.721 64.774 61.300 -0.412 0.000 1.317 355 I CB 0.069 37.577 38.000 -0.821 0.000 1.031 355 I HN -0.671 7.096 8.210 -0.550 0.113 0.401 356 N N -2.298 116.358 118.700 -0.073 0.000 2.272 356 N HA -0.374 nan 4.740 nan 0.000 0.185 356 N C 2.177 177.726 175.510 0.065 0.000 1.014 356 N CA 3.468 56.548 53.050 0.051 0.000 0.870 356 N CB -0.585 37.904 38.487 0.004 0.000 0.975 356 N HN 0.271 8.558 8.380 -0.154 0.000 0.433 357 E N 0.824 121.017 120.200 -0.012 0.000 2.107 357 E HA -0.204 nan 4.350 nan 0.000 0.191 357 E C 1.933 178.518 176.600 -0.025 0.000 0.982 357 E CA 2.375 58.758 56.400 -0.028 0.000 0.809 357 E CB -0.190 29.472 29.700 -0.063 0.000 0.756 357 E HN -0.698 7.470 8.360 -0.062 0.154 0.459 358 G N -1.759 107.024 108.800 -0.028 0.000 2.471 358 G HA2 -0.198 nan 3.960 nan 0.000 0.219 358 G HA3 -0.198 nan 3.960 nan 0.000 0.219 358 G C 1.467 176.312 174.900 -0.092 0.000 1.125 358 G CA 1.892 46.939 45.100 -0.088 0.000 0.775 358 G HN 0.140 8.303 8.290 -0.039 0.104 0.548 359 F N 1.497 121.402 119.950 -0.075 0.000 2.219 359 F HA -0.113 nan 4.527 nan 0.000 0.294 359 F C 1.287 177.067 175.800 -0.033 0.000 1.086 359 F CA 3.636 61.623 58.000 -0.021 0.000 1.330 359 F CB 0.337 39.366 39.000 0.049 0.000 1.047 359 F HN -0.588 7.783 8.300 0.364 0.148 0.495 360 D N 0.236 120.718 120.400 0.136 0.000 2.158 360 D HA -0.372 nan 4.640 nan 0.000 0.197 360 D C 2.598 178.893 176.300 -0.007 0.000 0.995 360 D CA 3.753 57.782 54.000 0.049 0.000 0.846 360 D CB -0.570 40.239 40.800 0.016 0.000 0.941 360 D HN -0.319 8.139 8.370 0.146 0.000 0.456 361 L N -1.434 119.752 121.223 -0.060 0.000 2.017 361 L HA -0.331 nan 4.340 nan 0.000 0.208 361 L C 2.189 179.005 176.870 -0.090 0.000 1.073 361 L CA 3.104 57.872 54.840 -0.121 0.000 0.745 361 L CB -0.151 41.759 42.059 -0.249 0.000 0.894 361 L HN -0.836 7.348 8.230 -0.060 0.010 0.432 362 L N -1.691 119.476 121.223 -0.094 0.000 2.043 362 L HA -0.463 nan 4.340 nan 0.000 0.212 362 L C 1.488 178.343 176.870 -0.025 0.000 1.075 362 L CA 3.058 57.848 54.840 -0.083 0.000 0.752 362 L CB -0.354 41.617 42.059 -0.148 0.000 0.891 362 L HN -0.802 7.289 8.230 -0.113 0.070 0.432 363 R N -4.556 115.949 120.500 0.007 0.000 2.200 363 R HA -0.176 nan 4.340 nan 0.000 0.208 363 R C 2.279 178.588 176.300 0.015 0.000 1.033 363 R CA 2.284 58.402 56.100 0.029 0.000 1.000 363 R CB 0.114 30.451 30.300 0.062 0.000 0.906 363 R HN 0.052 8.215 8.270 0.014 0.115 0.462 364 S N -3.469 112.231 115.700 -0.000 0.000 2.556 364 S HA 0.116 nan 4.470 nan 0.000 0.216 364 S C 1.112 175.710 174.600 -0.004 0.000 0.970 364 S CA 0.301 58.500 58.200 -0.002 0.000 0.912 364 S CB 1.198 64.392 63.200 -0.009 0.000 0.790 364 S HN -0.223 7.993 8.310 -0.011 0.088 0.504 365 G N 2.163 110.958 108.800 -0.008 0.000 2.304 365 G HA2 -0.470 nan 3.960 nan 0.000 0.252 365 G HA3 -0.470 nan 3.960 nan 0.000 0.252 365 G C -0.699 174.203 174.900 0.003 0.000 1.014 365 G CA 0.998 46.097 45.100 -0.000 0.000 0.619 365 G HN 0.283 8.423 8.290 -0.016 0.140 0.525 366 E N 3.087 123.288 120.200 0.001 0.000 1.861 366 E HA 0.229 nan 4.350 nan 0.000 0.263 366 E C -1.497 175.134 176.600 0.053 0.000 1.137 366 E CA -1.191 55.226 56.400 0.029 0.000 0.944 366 E CB -1.103 28.618 29.700 0.036 0.000 1.092 366 E HN -0.583 7.718 8.360 -0.009 0.054 0.420 367 S N 5.432 121.172 115.700 0.066 0.000 2.561 367 S HA 0.090 nan 4.470 nan 0.000 0.292 367 S C -0.951 173.698 174.600 0.082 0.000 1.107 367 S CA -0.770 57.502 58.200 0.120 0.000 0.969 367 S CB 0.822 64.008 63.200 -0.023 0.000 1.150 367 S HN 0.026 8.311 8.310 0.043 0.051 0.451 368 I N 4.802 125.427 120.570 0.092 0.000 2.094 368 I HA -0.030 nan 4.170 nan 0.000 0.234 368 I C 0.311 176.457 176.117 0.049 0.000 1.063 368 I CA 1.419 62.755 61.300 0.059 0.000 1.328 368 I CB 0.148 38.178 38.000 0.051 0.000 1.058 368 I HN 0.570 8.845 8.210 0.107 0.000 0.400 369 R N -2.323 118.211 120.500 0.056 0.000 2.621 369 R HA 0.260 nan 4.340 nan 0.000 0.284 369 R C -2.350 173.980 176.300 0.050 0.000 0.998 369 R CA -1.529 54.591 56.100 0.033 0.000 0.895 369 R CB 3.206 33.521 30.300 0.026 0.000 1.195 369 R HN -0.595 7.711 8.270 0.061 0.000 0.450 370 T N 7.675 122.233 114.554 0.007 0.000 2.771 370 T HA 0.587 nan 4.350 nan 0.000 0.281 370 T C -1.197 173.494 174.700 -0.014 0.000 0.982 370 T CA -0.133 61.970 62.100 0.006 0.000 0.978 370 T CB 0.817 69.648 68.868 -0.062 0.000 0.930 370 T HN 0.602 8.822 8.240 -0.034 0.000 0.447 371 I N 6.335 126.910 120.570 0.007 0.000 2.353 371 I HA 0.720 nan 4.170 nan 0.000 0.293 371 I C -1.770 174.342 176.117 -0.009 0.000 0.992 371 I CA -2.035 59.270 61.300 0.009 0.000 1.268 371 I CB 0.841 38.849 38.000 0.014 0.000 1.387 371 I HN 0.658 8.883 8.210 0.025 0.000 0.478 372 L N 8.408 129.625 121.223 -0.010 0.000 2.276 372 L HA 0.477 nan 4.340 nan 0.000 0.286 372 L C -1.078 175.725 176.870 -0.112 0.000 1.024 372 L CA -1.565 53.229 54.840 -0.077 0.000 0.826 372 L CB 1.826 43.842 42.059 -0.072 0.000 1.211 372 L HN 0.877 9.127 8.230 0.034 0.000 0.422 373 T N 4.158 118.650 114.554 -0.105 0.000 2.910 373 T HA 0.461 nan 4.350 nan 0.000 0.293 373 T C -0.408 174.174 174.700 -0.197 0.000 1.015 373 T CA -1.328 60.736 62.100 -0.059 0.000 1.094 373 T CB 0.531 69.398 68.868 -0.002 0.000 0.968 373 T HN 0.220 8.405 8.240 -0.091 0.000 0.521 374 F N 0.000 119.962 119.950 0.019 0.000 2.286 374 F HA 0.000 nan 4.527 nan 0.000 0.279 374 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 374 F CB 0.000 38.925 39.000 -0.126 0.000 1.145 374 F HN 0.000 8.447 8.300 0.245 0.000 0.574