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 3hmu_1_A DATA FIRST_RESID 4 DATA SEQUENCE ITNHMPTAEL QALDAAHHLH PFSANNALGE EGTRVITRAR GVWLNDSEGE DATA SEQUENCE EILDAMAGLW CVNIGYGRDE LAEVAARQMR ELPYYNTFFK TTHVPAIALA DATA SEQUENCE QKLAELAPGD LNHVFFAGGG SEANDTNIRM VRTYWQNKGQ PEKTVIISRK DATA SEQUENCE NAYHGSTVAS SALGGMAGMH AQSGLIPDVH HINQPNWWAE GGDMDPEEFG DATA SEQUENCE LARARELEEA ILELGENRVA AFIAEPVQGA GGVIVAPDSY WPEIQRICDK DATA SEQUENCE YDILLIADEV ICGFGRTGNW FGTQTMGIRP HIMTIAKGLS SGYAPIGGSI DATA SEQUENCE VCDEVAHVIG KDEFNHGYTY SGHPVAAAVA LENLRILEEE NILDHVRNVA DATA SEQUENCE APYLKEKWEA LTDHPLVGEA KIVGMMASIA LTPNKASRAK FASEPGTIGY DATA SEQUENCE ICRERCFANN LIMRHVGDRM IISPPLVITP AEIDEMFVRI RKSLDEAQAE DATA SEQUENCE IEKQGLMKSE GHHH 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.117 176.117 0.000 0.000 1.063 4 I CA 0.000 61.303 61.300 0.005 0.000 1.566 4 I CB 0.000 38.004 38.000 0.006 0.000 1.214 5 T N -0.621 113.934 114.554 0.001 0.000 2.865 5 T HA 0.384 4.739 4.350 0.008 0.000 0.294 5 T C 0.563 175.262 174.700 -0.002 0.000 1.119 5 T CA -0.790 61.309 62.100 -0.003 0.000 1.007 5 T CB 1.836 70.701 68.868 -0.004 0.000 1.225 5 T HN 0.396 nan 8.240 nan 0.000 0.515 6 N N -0.417 118.279 118.700 -0.006 0.000 2.417 6 N HA -0.104 4.641 4.740 0.008 0.000 0.187 6 N C 1.981 177.487 175.510 -0.007 0.000 1.027 6 N CA 1.918 54.964 53.050 -0.008 0.000 0.891 6 N CB -0.440 38.038 38.487 -0.014 0.000 0.956 6 N HN 0.851 nan 8.380 nan 0.000 0.442 7 H N -0.112 118.955 119.070 -0.006 0.000 2.547 7 H HA 0.290 4.851 4.556 0.008 0.000 0.272 7 H C 0.998 176.325 175.328 -0.002 0.000 0.971 7 H CA -0.036 56.008 56.048 -0.006 0.000 1.245 7 H CB -0.202 29.556 29.762 -0.007 0.000 1.440 7 H HN 0.157 nan 8.280 nan 0.000 0.540 8 M N 2.264 121.864 119.600 0.001 0.000 2.248 8 M HA 0.151 4.636 4.480 0.008 0.000 0.343 8 M C -2.413 173.891 176.300 0.006 0.000 1.243 8 M CA -1.617 53.687 55.300 0.005 0.000 1.025 8 M CB 0.763 33.369 32.600 0.010 0.000 1.759 8 M HN 0.136 nan 8.290 nan 0.000 0.452 9 P HA 0.063 nan 4.420 nan 0.000 0.267 9 P C 0.213 177.519 177.300 0.010 0.000 1.200 9 P CA -0.083 63.020 63.100 0.005 0.000 0.772 9 P CB 0.371 32.074 31.700 0.005 0.000 0.855 10 T N 1.828 116.387 114.554 0.008 0.000 2.653 10 T HA -0.279 4.076 4.350 0.008 0.000 0.268 10 T C 1.769 176.480 174.700 0.019 0.000 1.035 10 T CA 2.308 64.416 62.100 0.013 0.000 1.154 10 T CB -0.746 68.127 68.868 0.008 0.000 0.862 10 T HN 0.519 nan 8.240 nan 0.000 0.441 11 A N 1.380 124.209 122.820 0.014 0.000 1.908 11 A HA -0.176 4.149 4.320 0.008 0.000 0.218 11 A C 2.244 179.840 177.584 0.020 0.000 1.181 11 A CA 1.811 53.857 52.037 0.015 0.000 0.627 11 A CB -0.558 18.448 19.000 0.010 0.000 0.818 11 A HN 0.610 nan 8.150 nan 0.000 0.445 12 E N -0.265 119.947 120.200 0.020 0.000 2.072 12 E HA -0.132 4.223 4.350 0.008 0.000 0.191 12 E C 2.008 178.629 176.600 0.035 0.000 0.985 12 E CA 1.077 57.492 56.400 0.024 0.000 0.801 12 E CB -0.300 29.412 29.700 0.021 0.000 0.750 12 E HN 0.627 nan 8.360 nan 0.000 0.452 13 L N 0.936 122.181 121.223 0.036 0.000 2.042 13 L HA -0.269 4.076 4.340 0.008 0.000 0.210 13 L C 2.611 179.519 176.870 0.063 0.000 1.076 13 L CA 1.408 56.277 54.840 0.049 0.000 0.749 13 L CB -0.427 41.658 42.059 0.043 0.000 0.893 13 L HN 0.174 nan 8.230 nan 0.000 0.432 14 Q N -0.457 119.374 119.800 0.052 0.000 2.084 14 Q HA -0.202 4.142 4.340 0.008 0.000 0.202 14 Q C 2.434 178.461 176.000 0.045 0.000 0.978 14 Q CA 1.618 57.453 55.803 0.053 0.000 0.844 14 Q CB -0.276 28.483 28.738 0.036 0.000 0.898 14 Q HN 0.575 nan 8.270 nan 0.000 0.426 15 A N 0.755 123.594 122.820 0.033 0.000 1.902 15 A HA -0.156 4.169 4.320 0.008 0.000 0.217 15 A C 2.054 179.651 177.584 0.021 0.000 1.181 15 A CA 1.101 53.150 52.037 0.018 0.000 0.623 15 A CB -0.620 18.388 19.000 0.014 0.000 0.818 15 A HN 0.283 nan 8.150 nan 0.000 0.443 16 L N -0.854 120.403 121.223 0.056 0.000 2.056 16 L HA -0.183 4.161 4.340 0.008 0.000 0.207 16 L C 2.352 179.302 176.870 0.134 0.000 1.078 16 L CA 1.770 56.673 54.840 0.104 0.000 0.749 16 L CB -0.510 41.626 42.059 0.128 0.000 0.901 16 L HN 0.512 nan 8.230 nan 0.000 0.433 17 D N -0.116 120.368 120.400 0.139 0.000 2.104 17 D HA -0.215 4.430 4.640 0.008 0.000 0.194 17 D C 2.198 178.600 176.300 0.170 0.000 0.994 17 D CA 1.397 55.525 54.000 0.212 0.000 0.830 17 D CB 0.114 41.064 40.800 0.251 0.000 0.959 17 D HN 0.268 nan 8.370 nan 0.000 0.452 18 A N 0.413 123.279 122.820 0.077 0.000 1.940 18 A HA -0.028 4.296 4.320 0.008 0.000 0.219 18 A C 2.350 179.910 177.584 -0.040 0.000 1.176 18 A CA 2.074 54.122 52.037 0.018 0.000 0.631 18 A CB -1.080 17.913 19.000 -0.011 0.000 0.814 18 A HN 0.352 nan 8.150 nan 0.000 0.446 19 A N -1.923 120.818 122.820 -0.132 0.000 1.972 19 A HA -0.141 4.184 4.320 0.008 0.000 0.219 19 A C 1.862 179.130 177.584 -0.526 0.000 1.169 19 A CA 1.750 53.544 52.037 -0.404 0.000 0.635 19 A CB -0.476 18.149 19.000 -0.625 0.000 0.810 19 A HN 0.686 nan 8.150 nan 0.000 0.446 20 H N -3.775 115.351 119.070 0.093 0.000 3.794 20 H HA 0.161 4.721 4.556 0.008 0.000 0.258 20 H C -0.216 175.203 175.328 0.152 0.000 1.120 20 H CA -0.111 55.993 56.048 0.094 0.000 1.166 20 H CB 0.024 29.825 29.762 0.065 0.000 1.517 20 H HN 0.721 nan 8.280 nan 0.000 0.615 21 H N 1.354 120.512 119.070 0.146 0.000 2.595 21 H HA 0.370 4.931 4.556 0.008 0.000 0.313 21 H C -0.754 174.664 175.328 0.150 0.000 1.023 21 H CA -0.500 55.610 56.048 0.103 0.000 1.218 21 H CB 0.790 30.587 29.762 0.058 0.000 1.403 21 H HN -0.016 nan 8.280 nan 0.000 0.477 22 L N 6.400 127.733 121.223 0.182 0.000 2.276 22 L HA 0.222 4.566 4.340 0.008 0.000 0.286 22 L C 0.365 177.209 176.870 -0.044 0.000 1.061 22 L CA -0.451 54.437 54.840 0.080 0.000 0.807 22 L CB 0.803 42.912 42.059 0.083 0.000 1.177 22 L HN 0.626 nan 8.230 nan 0.000 0.429 23 H N 3.164 122.098 119.070 -0.227 0.000 2.481 23 H HA 0.301 4.861 4.556 0.008 0.000 0.339 23 H C -2.086 173.215 175.328 -0.045 0.000 1.131 23 H CA -1.949 53.978 56.048 -0.202 0.000 1.301 23 H CB 1.416 31.057 29.762 -0.202 0.000 1.476 23 H HN 0.347 nan 8.280 nan 0.000 0.529 24 P HA -0.033 nan 4.420 nan 0.000 0.271 24 P C -0.388 177.053 177.300 0.234 0.000 1.218 24 P CA -0.147 63.047 63.100 0.156 0.000 0.780 24 P CB 0.138 32.000 31.700 0.271 0.000 0.901 25 F N -0.874 119.110 119.950 0.057 0.000 2.943 25 F HA -0.233 4.300 4.527 0.009 0.000 0.258 25 F C 0.177 175.988 175.800 0.018 0.000 0.995 25 F CA 0.986 59.007 58.000 0.036 0.000 0.896 25 F CB -2.023 36.993 39.000 0.026 0.000 0.821 25 F HN 0.107 nan 8.300 nan 0.000 0.828 26 S N -0.955 114.801 115.700 0.094 0.000 2.588 26 S HA 0.839 5.314 4.470 0.008 0.000 0.275 26 S C -0.229 174.375 174.600 0.007 0.000 1.130 26 S CA -0.428 57.800 58.200 0.046 0.000 0.855 26 S CB 2.050 65.262 63.200 0.020 0.000 1.116 26 S HN 0.455 nan 8.310 nan 0.000 0.472 27 A N 1.946 124.761 122.820 -0.008 0.000 2.774 27 A HA 0.353 4.677 4.320 0.008 0.000 0.326 27 A C 0.907 178.469 177.584 -0.037 0.000 1.478 27 A CA -0.541 51.485 52.037 -0.019 0.000 1.099 27 A CB -0.625 18.366 19.000 -0.015 0.000 1.148 27 A HN 0.771 nan 8.150 nan 0.000 0.519 28 N N 1.614 120.294 118.700 -0.034 0.000 2.223 28 N HA -0.152 4.593 4.740 0.008 0.000 0.185 28 N C 0.921 176.403 175.510 -0.048 0.000 1.016 28 N CA 1.078 54.099 53.050 -0.049 0.000 0.863 28 N CB 0.113 38.591 38.487 -0.015 0.000 0.983 28 N HN 0.637 nan 8.380 nan 0.000 0.429 29 N N 1.506 120.187 118.700 -0.032 0.000 2.080 29 N HA -0.065 4.680 4.740 0.008 0.000 0.189 29 N C 1.769 177.259 175.510 -0.033 0.000 1.036 29 N CA 1.129 54.162 53.050 -0.028 0.000 0.846 29 N CB -0.598 37.877 38.487 -0.020 0.000 1.015 29 N HN 0.176 nan 8.380 nan 0.000 0.423 30 A N 0.938 123.738 122.820 -0.033 0.000 1.933 30 A HA -0.070 4.255 4.320 0.008 0.000 0.218 30 A C 2.195 179.754 177.584 -0.042 0.000 1.175 30 A CA 0.936 52.955 52.037 -0.031 0.000 0.628 30 A CB -0.687 18.297 19.000 -0.026 0.000 0.814 30 A HN 0.242 nan 8.150 nan 0.000 0.444 31 L N 0.206 121.389 121.223 -0.067 0.000 2.017 31 L HA -0.033 4.311 4.340 0.008 0.000 0.208 31 L C 2.361 179.172 176.870 -0.097 0.000 1.073 31 L CA 2.441 57.217 54.840 -0.107 0.000 0.745 31 L CB -1.153 40.790 42.059 -0.193 0.000 0.894 31 L HN 0.281 nan 8.230 nan 0.000 0.432 32 G N -0.521 108.230 108.800 -0.081 0.000 2.422 32 G HA2 -0.258 3.707 3.960 0.008 0.000 0.218 32 G HA3 -0.258 3.707 3.960 0.008 0.000 0.218 32 G C 1.308 176.188 174.900 -0.033 0.000 1.146 32 G CA 0.791 45.859 45.100 -0.054 0.000 0.769 32 G HN 0.678 nan 8.290 nan 0.000 0.547 33 E N 0.552 120.734 120.200 -0.029 0.000 2.152 33 E HA -0.048 4.307 4.350 0.008 0.000 0.192 33 E C 1.975 178.568 176.600 -0.012 0.000 0.983 33 E CA 0.974 57.363 56.400 -0.018 0.000 0.818 33 E CB -0.284 29.407 29.700 -0.015 0.000 0.758 33 E HN 0.514 nan 8.360 nan 0.000 0.467 34 E N 1.129 121.320 120.200 -0.015 0.000 2.072 34 E HA 0.022 4.377 4.350 0.008 0.000 0.191 34 E C 0.476 177.077 176.600 0.001 0.000 0.985 34 E CA 0.901 57.298 56.400 -0.004 0.000 0.801 34 E CB -0.041 29.656 29.700 -0.004 0.000 0.750 34 E HN 0.395 nan 8.360 nan 0.000 0.452 35 G N 0.853 109.647 108.800 -0.010 0.000 3.355 35 G HA2 -0.171 3.794 3.960 0.008 0.000 0.686 35 G HA3 -0.171 3.794 3.960 0.008 0.000 0.686 35 G C -0.240 174.666 174.900 0.009 0.000 1.097 35 G CA -0.180 44.922 45.100 0.004 0.000 0.881 35 G HN 0.114 nan 8.290 nan 0.000 0.550 36 T N 0.848 115.407 114.554 0.008 0.000 2.828 36 T HA 0.557 4.912 4.350 0.008 0.000 0.290 36 T C 0.941 175.691 174.700 0.084 0.000 1.019 36 T CA -0.022 62.096 62.100 0.029 0.000 1.031 36 T CB 0.550 69.439 68.868 0.036 0.000 1.001 36 T HN 0.794 nan 8.240 nan 0.000 0.531 37 R N 2.491 123.070 120.500 0.131 0.000 2.297 37 R HA 0.515 4.860 4.340 0.008 0.000 0.308 37 R C -1.250 175.113 176.300 0.105 0.000 1.029 37 R CA -0.601 55.573 56.100 0.123 0.000 0.929 37 R CB 0.646 31.059 30.300 0.188 0.000 1.046 37 R HN 0.482 nan 8.270 nan 0.000 0.461 38 V N 6.870 126.822 119.914 0.062 0.000 2.333 38 V HA 0.248 4.373 4.120 0.008 0.000 0.274 38 V C 0.151 176.257 176.094 0.021 0.000 1.028 38 V CA -0.776 61.557 62.300 0.055 0.000 0.851 38 V CB 1.119 32.969 31.823 0.047 0.000 1.000 38 V HN 0.640 nan 8.190 nan 0.000 0.456 39 I N 5.427 126.009 120.570 0.021 0.000 2.371 39 I HA 0.249 4.424 4.170 0.008 0.000 0.290 39 I C 1.413 177.511 176.117 -0.031 0.000 1.028 39 I CA 0.238 61.527 61.300 -0.019 0.000 1.345 39 I CB 1.141 39.125 38.000 -0.027 0.000 1.407 39 I HN 0.778 nan 8.210 nan 0.000 0.501 40 T N 3.748 118.274 114.554 -0.048 0.000 2.978 40 T HA 0.253 4.608 4.350 0.008 0.000 0.248 40 T C 0.623 175.286 174.700 -0.062 0.000 1.018 40 T CA -0.231 61.843 62.100 -0.044 0.000 1.026 40 T CB 0.560 69.408 68.868 -0.034 0.000 1.032 40 T HN 0.697 nan 8.240 nan 0.000 0.485 41 R N 0.023 120.470 120.500 -0.088 0.000 2.712 41 R HA 0.777 5.122 4.340 0.008 0.000 0.272 41 R C -2.274 173.921 176.300 -0.174 0.000 1.032 41 R CA -1.067 54.969 56.100 -0.106 0.000 0.874 41 R CB 1.011 31.272 30.300 -0.066 0.000 1.256 41 R HN 0.191 nan 8.270 nan 0.000 0.468 42 A N 1.675 124.370 122.820 -0.208 0.000 2.488 42 A HA 0.773 5.097 4.320 0.008 0.000 0.298 42 A C -1.304 176.227 177.584 -0.088 0.000 1.044 42 A CA -0.981 50.849 52.037 -0.344 0.000 0.693 42 A CB 1.852 20.196 19.000 -1.093 0.000 1.272 42 A HN 0.595 nan 8.150 nan 0.000 0.402 43 R N 1.229 121.759 120.500 0.050 0.000 2.533 43 R HA 0.626 4.970 4.340 0.008 0.000 0.288 43 R C 0.761 177.228 176.300 0.278 0.000 1.039 43 R CA 0.189 56.389 56.100 0.166 0.000 0.909 43 R CB 1.235 31.606 30.300 0.119 0.000 1.195 43 R HN 2.105 nan 8.270 nan 0.000 0.438 44 G N 1.562 110.525 108.800 0.273 0.000 2.602 44 G HA2 -0.398 3.567 3.960 0.008 0.000 0.310 44 G HA3 -0.398 3.567 3.960 0.008 0.000 0.310 44 G C 0.491 175.529 174.900 0.230 0.000 1.183 44 G CA 0.863 46.102 45.100 0.231 0.000 0.979 44 G HN 0.767 nan 8.290 nan 0.000 0.545 45 V N -3.121 116.828 119.914 0.058 0.000 3.376 45 V HA 0.631 4.755 4.120 0.008 0.000 0.313 45 V C 0.277 176.173 176.094 -0.330 0.000 1.393 45 V CA 0.094 62.300 62.300 -0.157 0.000 1.125 45 V CB -0.586 31.002 31.823 -0.391 0.000 1.037 45 V HN 0.539 nan 8.190 nan 0.000 0.440 46 W N 0.331 121.673 121.300 0.070 0.000 2.632 46 W HA 0.812 5.478 4.660 0.009 0.000 0.328 46 W C -0.523 175.909 176.519 -0.145 0.000 1.044 46 W CA -0.853 56.475 57.345 -0.029 0.000 1.225 46 W CB 1.789 31.232 29.460 -0.028 0.000 1.396 46 W HN 0.002 nan 8.180 nan 0.000 0.499 47 L N 2.477 123.750 121.223 0.082 0.000 2.322 47 L HA 0.563 4.908 4.340 0.008 0.000 0.269 47 L C -0.415 176.449 176.870 -0.010 0.000 1.012 47 L CA -1.053 53.737 54.840 -0.082 0.000 0.815 47 L CB 1.253 43.231 42.059 -0.135 0.000 1.295 47 L HN 0.414 nan 8.230 nan 0.000 0.438 48 N N -0.335 118.328 118.700 -0.061 0.000 2.314 48 N HA 0.411 5.156 4.740 0.008 0.000 0.304 48 N C -1.456 174.016 175.510 -0.064 0.000 1.073 48 N CA -0.844 52.174 53.050 -0.054 0.000 0.822 48 N CB 1.698 40.153 38.487 -0.055 0.000 1.280 48 N HN 0.631 nan 8.380 nan 0.000 0.489 49 D N -1.204 119.158 120.400 -0.062 0.000 2.487 49 D HA 0.198 4.843 4.640 0.008 0.000 0.262 49 D C 0.571 176.846 176.300 -0.042 0.000 1.130 49 D CA -0.748 53.220 54.000 -0.054 0.000 1.038 49 D CB 0.523 41.281 40.800 -0.070 0.000 1.142 49 D HN 0.401 nan 8.370 nan 0.000 0.575 50 S N -1.324 114.360 115.700 -0.028 0.000 2.561 50 S HA -0.058 4.416 4.470 0.008 0.000 0.225 50 S C 0.833 175.419 174.600 -0.023 0.000 0.977 50 S CA 0.093 58.281 58.200 -0.020 0.000 0.926 50 S CB -0.322 62.874 63.200 -0.006 0.000 0.769 50 S HN 0.467 nan 8.310 nan 0.000 0.533 51 E N 0.887 121.068 120.200 -0.031 0.000 2.479 51 E HA 0.217 4.572 4.350 0.008 0.000 0.193 51 E C 1.365 177.942 176.600 -0.039 0.000 1.049 51 E CA 0.524 56.905 56.400 -0.032 0.000 0.870 51 E CB 0.110 29.790 29.700 -0.034 0.000 0.944 51 E HN 0.697 nan 8.360 nan 0.000 0.492 52 G N 1.717 110.491 108.800 -0.045 0.000 2.176 52 G HA2 -0.224 3.741 3.960 0.008 0.000 0.253 52 G HA3 -0.224 3.741 3.960 0.008 0.000 0.253 52 G C 0.113 174.977 174.900 -0.060 0.000 0.979 52 G CA -0.090 44.980 45.100 -0.050 0.000 0.641 52 G HN 0.166 nan 8.290 nan 0.000 0.530 53 E N 0.781 120.943 120.200 -0.063 0.000 2.392 53 E HA 0.290 4.645 4.350 0.008 0.000 0.264 53 E C 0.236 176.800 176.600 -0.059 0.000 1.024 53 E CA 0.083 56.441 56.400 -0.069 0.000 0.903 53 E CB 1.152 30.799 29.700 -0.090 0.000 0.963 53 E HN 0.621 nan 8.360 nan 0.000 0.432 54 E N 2.709 122.881 120.200 -0.047 0.000 2.158 54 E HA 0.363 4.718 4.350 0.008 0.000 0.271 54 E C -0.920 175.756 176.600 0.126 0.000 0.911 54 E CA -0.502 55.897 56.400 -0.002 0.000 0.767 54 E CB 0.754 30.380 29.700 -0.123 0.000 1.120 54 E HN 0.350 nan 8.360 nan 0.000 0.405 55 I N 4.617 125.308 120.570 0.202 0.000 2.406 55 I HA 0.186 4.361 4.170 0.008 0.000 0.290 55 I C -0.668 175.569 176.117 0.200 0.000 0.999 55 I CA -1.131 60.255 61.300 0.143 0.000 1.124 55 I CB 1.596 39.577 38.000 -0.033 0.000 1.289 55 I HN 0.425 nan 8.210 nan 0.000 0.441 56 L N 6.299 127.550 121.223 0.047 0.000 2.342 56 L HA 0.252 4.597 4.340 0.008 0.000 0.285 56 L C 0.063 176.783 176.870 -0.250 0.000 1.095 56 L CA 0.138 54.740 54.840 -0.396 0.000 0.843 56 L CB 0.047 41.822 42.059 -0.473 0.000 1.201 56 L HN 0.466 nan 8.230 nan 0.000 0.445 57 D N 4.408 124.671 120.400 -0.230 0.000 2.551 57 D HA 0.173 4.818 4.640 0.008 0.000 0.223 57 D C 0.995 177.214 176.300 -0.134 0.000 1.144 57 D CA 0.314 54.253 54.000 -0.101 0.000 1.025 57 D CB 0.662 41.489 40.800 0.046 0.000 1.085 57 D HN 0.680 nan 8.370 nan 0.000 0.506 58 A N 3.249 125.973 122.820 -0.160 0.000 2.255 58 A HA -0.031 4.294 4.320 0.008 0.000 0.206 58 A C 1.554 179.012 177.584 -0.210 0.000 1.193 58 A CA 0.461 52.391 52.037 -0.179 0.000 0.794 58 A CB -0.129 18.767 19.000 -0.173 0.000 0.794 58 A HN 0.468 nan 8.150 nan 0.000 0.481 59 M N -1.985 117.493 119.600 -0.203 0.000 2.313 59 M HA 0.325 4.810 4.480 0.008 0.000 0.273 59 M C 0.984 177.152 176.300 -0.220 0.000 1.049 59 M CA 0.561 55.676 55.300 -0.308 0.000 1.004 59 M CB -0.494 31.895 32.600 -0.353 0.000 1.461 59 M HN 0.801 nan 8.290 nan 0.000 0.514 60 A N 1.084 123.836 122.820 -0.114 0.000 2.610 60 A HA 0.009 4.333 4.320 0.008 0.000 0.299 60 A C 1.349 178.908 177.584 -0.042 0.000 1.487 60 A CA 1.457 53.443 52.037 -0.086 0.000 0.743 60 A CB -2.108 16.836 19.000 -0.094 0.000 1.070 60 A HN 1.038 nan 8.150 nan 0.000 0.439 61 G N -1.722 107.115 108.800 0.062 0.000 4.766 61 G HA2 -0.045 3.920 3.960 0.008 0.000 0.314 61 G HA3 -0.045 3.920 3.960 0.008 0.000 0.314 61 G C 0.244 175.157 174.900 0.022 0.000 1.427 61 G CA 0.716 45.880 45.100 0.106 0.000 1.024 61 G HN 2.120 nan 8.290 nan 0.000 0.754 62 L N -0.289 120.954 121.223 0.034 0.000 2.475 62 L HA 0.562 4.907 4.340 0.008 0.000 0.253 62 L C -0.257 176.756 176.870 0.237 0.000 1.483 62 L CA -0.080 54.790 54.840 0.050 0.000 0.869 62 L CB -0.185 41.953 42.059 0.131 0.000 1.086 62 L HN 0.884 nan 8.230 nan 0.000 0.514 63 W N 0.489 121.775 121.300 -0.024 0.000 4.233 63 W HA -0.364 4.299 4.660 0.005 0.000 0.328 63 W C 1.402 177.920 176.519 -0.002 0.000 1.212 63 W CA 0.978 58.309 57.345 -0.023 0.000 0.752 63 W CB -2.190 27.259 29.460 -0.019 0.000 2.277 63 W HN 0.664 nan 8.180 nan 0.000 1.465 64 C N -5.709 113.688 119.300 0.161 0.000 3.836 64 C HA 0.501 4.966 4.460 0.008 0.000 0.470 64 C C 1.057 176.070 174.990 0.038 0.000 1.496 64 C CA 0.367 59.457 59.018 0.120 0.000 2.135 64 C CB -0.502 27.315 27.740 0.128 0.000 3.162 64 C HN -0.029 nan 8.230 nan 0.000 0.666 65 V N 4.412 124.292 119.914 -0.056 0.000 2.055 65 V HA 0.159 4.284 4.120 0.008 0.000 0.248 65 V C 0.765 176.785 176.094 -0.123 0.000 1.476 65 V CA 0.608 62.807 62.300 -0.169 0.000 1.417 65 V CB -1.037 30.439 31.823 -0.578 0.000 1.465 65 V HN 0.466 nan 8.190 nan 0.000 0.502 66 N N 2.538 121.219 118.700 -0.031 0.000 2.270 66 N HA -0.060 4.685 4.740 0.008 0.000 0.181 66 N C 1.638 177.126 175.510 -0.037 0.000 1.016 66 N CA 1.231 54.269 53.050 -0.019 0.000 0.870 66 N CB -0.069 38.432 38.487 0.025 0.000 0.979 66 N HN 0.816 nan 8.380 nan 0.000 0.431 67 I N -3.206 117.340 120.570 -0.040 0.000 3.684 67 I HA 0.328 4.503 4.170 0.008 0.000 0.304 67 I C 0.731 176.827 176.117 -0.035 0.000 1.278 67 I CA -0.103 61.168 61.300 -0.047 0.000 1.272 67 I CB -0.626 37.327 38.000 -0.079 0.000 1.029 67 I HN -0.026 nan 8.210 nan 0.000 0.458 68 G N 1.110 109.866 108.800 -0.073 0.000 2.795 68 G HA2 -0.254 3.710 3.960 0.008 0.000 0.664 68 G HA3 -0.254 3.710 3.960 0.008 0.000 0.664 68 G C -0.765 174.109 174.900 -0.043 0.000 1.381 68 G CA -0.482 44.557 45.100 -0.101 0.000 0.853 68 G HN 0.351 nan 8.290 nan 0.000 0.545 69 Y N 0.088 120.450 120.300 0.103 0.000 2.295 69 Y HA 0.441 4.996 4.550 0.008 0.000 0.331 69 Y C 1.759 177.745 175.900 0.143 0.000 1.311 69 Y CA 0.977 59.138 58.100 0.101 0.000 1.430 69 Y CB 1.167 39.636 38.460 0.015 0.000 1.339 69 Y HN 2.089 nan 8.280 nan 0.000 0.552 70 G N 0.783 109.779 108.800 0.326 0.000 2.143 70 G HA2 -0.246 3.719 3.960 0.008 0.000 0.248 70 G HA3 -0.246 3.719 3.960 0.008 0.000 0.248 70 G C -0.090 174.932 174.900 0.203 0.000 0.991 70 G CA -0.618 44.615 45.100 0.221 0.000 0.689 70 G HN 0.352 nan 8.290 nan 0.000 0.522 71 R N 0.907 121.573 120.500 0.276 0.000 2.593 71 R HA 0.264 4.609 4.340 0.008 0.000 0.282 71 R C 0.458 176.825 176.300 0.113 0.000 1.300 71 R CA -0.465 55.708 56.100 0.121 0.000 1.221 71 R CB 0.394 30.680 30.300 -0.023 0.000 1.157 71 R HN 0.194 nan 8.270 nan 0.000 0.555 72 D N 1.494 121.952 120.400 0.097 0.000 2.351 72 D HA -0.121 4.523 4.640 0.008 0.000 0.216 72 D C 1.002 177.327 176.300 0.042 0.000 0.968 72 D CA 0.908 54.959 54.000 0.085 0.000 0.899 72 D CB 0.428 41.267 40.800 0.065 0.000 0.907 72 D HN 0.410 nan 8.370 nan 0.000 0.514 73 E N 0.057 120.261 120.200 0.007 0.000 2.118 73 E HA -0.156 4.199 4.350 0.008 0.000 0.195 73 E C 1.873 178.454 176.600 -0.032 0.000 0.992 73 E CA 0.582 56.971 56.400 -0.018 0.000 0.804 73 E CB -0.172 29.504 29.700 -0.040 0.000 0.741 73 E HN 0.214 nan 8.360 nan 0.000 0.458 74 L N 0.193 121.377 121.223 -0.064 0.000 2.093 74 L HA -0.069 4.276 4.340 0.008 0.000 0.208 74 L C 2.220 179.106 176.870 0.027 0.000 1.085 74 L CA 1.584 56.382 54.840 -0.070 0.000 0.755 74 L CB -0.822 41.094 42.059 -0.238 0.000 0.904 74 L HN 0.122 nan 8.230 nan 0.000 0.435 75 A N -0.527 122.338 122.820 0.076 0.000 1.902 75 A HA -0.245 4.080 4.320 0.008 0.000 0.217 75 A C 2.365 179.971 177.584 0.037 0.000 1.181 75 A CA 1.828 53.910 52.037 0.073 0.000 0.623 75 A CB -0.570 18.479 19.000 0.082 0.000 0.818 75 A HN 0.491 nan 8.150 nan 0.000 0.443 76 E N 0.296 120.511 120.200 0.024 0.000 2.077 76 E HA -0.137 4.218 4.350 0.008 0.000 0.193 76 E C 1.957 178.560 176.600 0.006 0.000 0.989 76 E CA 1.796 58.203 56.400 0.013 0.000 0.800 76 E CB -0.278 29.427 29.700 0.008 0.000 0.746 76 E HN 0.314 nan 8.360 nan 0.000 0.452 77 V N 1.669 121.583 119.914 -0.000 0.000 2.358 77 V HA -0.218 3.907 4.120 0.008 0.000 0.246 77 V C 2.704 178.797 176.094 -0.002 0.000 1.047 77 V CA 1.717 64.013 62.300 -0.007 0.000 1.035 77 V CB -0.886 30.925 31.823 -0.020 0.000 0.658 77 V HN 0.427 nan 8.190 nan 0.000 0.452 78 A N 0.139 122.964 122.820 0.008 0.000 1.865 78 A HA -0.165 4.160 4.320 0.008 0.000 0.217 78 A C 2.433 180.024 177.584 0.013 0.000 1.191 78 A CA 2.319 54.364 52.037 0.015 0.000 0.623 78 A CB -0.903 18.115 19.000 0.029 0.000 0.826 78 A HN 0.566 nan 8.150 nan 0.000 0.444 79 A N -0.568 122.260 122.820 0.013 0.000 1.902 79 A HA -0.153 4.172 4.320 0.008 0.000 0.217 79 A C 2.260 179.847 177.584 0.005 0.000 1.181 79 A CA 1.783 53.826 52.037 0.010 0.000 0.623 79 A CB -0.516 18.491 19.000 0.011 0.000 0.818 79 A HN 0.562 nan 8.150 nan 0.000 0.443 80 R N -0.853 119.649 120.500 0.002 0.000 2.083 80 R HA -0.236 4.108 4.340 0.008 0.000 0.237 80 R C 2.409 178.705 176.300 -0.008 0.000 1.137 80 R CA 2.037 58.135 56.100 -0.003 0.000 0.951 80 R CB -0.281 30.017 30.300 -0.004 0.000 0.851 80 R HN 0.531 nan 8.270 nan 0.000 0.434 81 Q N 0.384 120.178 119.800 -0.011 0.000 2.124 81 Q HA -0.112 4.233 4.340 0.008 0.000 0.202 81 Q C 1.971 177.960 176.000 -0.018 0.000 0.977 81 Q CA 2.035 57.824 55.803 -0.023 0.000 0.850 81 Q CB -0.088 28.631 28.738 -0.031 0.000 0.901 81 Q HN 0.416 nan 8.270 nan 0.000 0.429 82 M N -0.728 118.873 119.600 0.001 0.000 2.175 82 M HA -0.115 4.370 4.480 0.008 0.000 0.264 82 M C 2.108 178.412 176.300 0.008 0.000 1.063 82 M CA 1.436 56.744 55.300 0.013 0.000 1.119 82 M CB -0.154 32.460 32.600 0.024 0.000 1.377 82 M HN 0.130 nan 8.290 nan 0.000 0.415 83 R N -0.062 120.440 120.500 0.003 0.000 2.096 83 R HA -0.177 4.168 4.340 0.008 0.000 0.235 83 R C 2.106 178.404 176.300 -0.003 0.000 1.127 83 R CA 1.629 57.730 56.100 0.002 0.000 0.968 83 R CB -0.239 30.062 30.300 0.001 0.000 0.861 83 R HN 0.379 nan 8.270 nan 0.000 0.440 84 E N 0.289 120.482 120.200 -0.011 0.000 2.030 84 E HA -0.044 4.310 4.350 0.008 0.000 0.189 84 E C -0.241 176.344 176.600 -0.026 0.000 0.974 84 E CA 0.770 57.159 56.400 -0.018 0.000 0.807 84 E CB 0.339 30.025 29.700 -0.023 0.000 0.771 84 E HN 0.039 nan 8.360 nan 0.000 0.451 85 L N 1.114 122.313 121.223 -0.041 0.000 2.563 85 L HA 0.380 4.724 4.340 0.008 0.000 0.259 85 L C -2.462 174.365 176.870 -0.073 0.000 1.034 85 L CA -1.428 53.379 54.840 -0.056 0.000 0.899 85 L CB 2.107 44.113 42.059 -0.088 0.000 1.159 85 L HN -0.040 nan 8.230 nan 0.000 0.456 86 P HA -0.032 nan 4.420 nan 0.000 0.227 86 P C -0.602 176.684 177.300 -0.024 0.000 1.161 86 P CA 0.845 63.954 63.100 0.015 0.000 0.788 86 P CB 0.314 32.054 31.700 0.067 0.000 0.822 87 Y N -1.010 119.192 120.300 -0.164 0.000 2.480 87 Y HA 0.564 5.118 4.550 0.008 0.000 0.329 87 Y C -1.939 173.943 175.900 -0.030 0.000 1.127 87 Y CA -1.453 56.500 58.100 -0.245 0.000 1.037 87 Y CB 1.140 39.525 38.460 -0.126 0.000 1.320 87 Y HN -0.236 nan 8.280 nan 0.000 0.446 88 Y N 4.684 124.276 120.300 -1.180 0.000 2.571 88 Y HA 0.376 4.931 4.550 0.008 0.000 0.341 88 Y C -1.032 174.231 175.900 -1.062 0.000 1.076 88 Y CA -1.080 56.449 58.100 -0.951 0.000 1.029 88 Y CB 1.410 39.681 38.460 -0.315 0.000 1.308 88 Y HN 0.817 nan 8.280 nan 0.000 0.461 89 N N -0.481 117.296 118.700 -1.538 0.000 2.483 89 N HA 0.249 4.993 4.740 0.008 0.000 0.269 89 N C -0.110 175.228 175.510 -0.286 0.000 1.209 89 N CA 0.131 52.740 53.050 -0.735 0.000 0.969 89 N CB 1.337 39.327 38.487 -0.829 0.000 1.173 89 N HN 0.569 nan 8.380 nan 0.000 0.475 90 T N -2.822 111.741 114.554 0.016 0.000 3.176 90 T HA 0.257 4.612 4.350 0.008 0.000 0.263 90 T C 0.152 174.899 174.700 0.077 0.000 1.021 90 T CA -0.267 61.849 62.100 0.026 0.000 0.905 90 T CB -0.664 68.177 68.868 -0.045 0.000 1.057 90 T HN 0.400 nan 8.240 nan 0.000 0.558 91 F N 0.350 120.170 119.950 -0.217 0.000 2.446 91 F HA 0.419 4.950 4.527 0.008 0.000 0.292 91 F C 0.879 176.772 175.800 0.155 0.000 1.096 91 F CA -0.900 57.040 58.000 -0.100 0.000 1.438 91 F CB -0.094 38.773 39.000 -0.220 0.000 1.107 91 F HN 0.202 nan 8.300 nan 0.000 0.546 92 F N 1.537 121.617 119.950 0.217 0.000 2.873 92 F HA 0.245 4.777 4.527 0.008 0.000 0.289 92 F C 0.588 176.463 175.800 0.124 0.000 1.206 92 F CA -1.049 57.045 58.000 0.157 0.000 1.401 92 F CB -1.500 37.597 39.000 0.162 0.000 0.996 92 F HN -0.064 nan 8.300 nan 0.000 0.511 93 K N -0.047 120.512 120.400 0.265 0.000 3.096 93 K HA -0.182 4.143 4.320 0.008 0.000 0.266 93 K C 0.053 176.744 176.600 0.151 0.000 1.043 93 K CA 0.885 57.267 56.287 0.158 0.000 0.758 93 K CB -2.219 30.355 32.500 0.123 0.000 1.260 93 K HN 0.487 nan 8.250 nan 0.000 0.481 94 T N -3.449 111.209 114.554 0.173 0.000 2.916 94 T HA 0.702 5.057 4.350 0.008 0.000 0.292 94 T C -0.160 174.596 174.700 0.093 0.000 1.064 94 T CA -0.524 61.680 62.100 0.173 0.000 1.011 94 T CB 2.843 71.928 68.868 0.360 0.000 1.152 94 T HN 0.129 nan 8.240 nan 0.000 0.510 95 T N -0.305 114.280 114.554 0.052 0.000 2.671 95 T HA 0.576 4.931 4.350 0.008 0.000 0.300 95 T C -1.978 172.690 174.700 -0.053 0.000 1.238 95 T CA -0.766 61.287 62.100 -0.078 0.000 1.020 95 T CB 1.266 70.082 68.868 -0.086 0.000 1.503 95 T HN 1.084 nan 8.240 nan 0.000 0.497 96 H N -0.509 118.564 119.070 0.004 0.000 2.985 96 H HA 0.556 5.117 4.556 0.008 0.000 0.360 96 H C 0.471 175.785 175.328 -0.023 0.000 1.221 96 H CA -0.791 55.242 56.048 -0.025 0.000 1.121 96 H CB 0.765 30.497 29.762 -0.050 0.000 1.854 96 H HN 0.305 nan 8.280 nan 0.000 0.551 97 V N 0.947 120.959 119.914 0.165 0.000 2.332 97 V HA -0.140 3.984 4.120 0.008 0.000 0.248 97 V C -0.917 175.252 176.094 0.126 0.000 1.055 97 V CA 1.993 64.350 62.300 0.096 0.000 1.038 97 V CB -1.652 30.202 31.823 0.051 0.000 0.651 97 V HN 0.600 nan 8.190 nan 0.000 0.450 98 P HA -0.182 nan 4.420 nan 0.000 0.216 98 P C 1.746 179.112 177.300 0.110 0.000 1.153 98 P CA 2.110 65.290 63.100 0.132 0.000 0.858 98 P CB -0.159 31.569 31.700 0.046 0.000 0.789 99 A N -0.676 122.224 122.820 0.134 0.000 1.877 99 A HA -0.199 4.126 4.320 0.008 0.000 0.216 99 A C 2.211 179.839 177.584 0.073 0.000 1.186 99 A CA 1.612 53.592 52.037 -0.096 0.000 0.620 99 A CB -1.645 17.108 19.000 -0.412 0.000 0.822 99 A HN 0.099 nan 8.150 nan 0.000 0.443 100 I N -0.201 120.387 120.570 0.030 0.000 2.127 100 I HA -0.315 3.860 4.170 0.008 0.000 0.241 100 I C 3.013 179.174 176.117 0.072 0.000 1.075 100 I CA 1.266 62.598 61.300 0.054 0.000 1.334 100 I CB -0.509 37.506 38.000 0.024 0.000 1.040 100 I HN 0.362 nan 8.210 nan 0.000 0.405 101 A N 0.643 123.499 122.820 0.061 0.000 1.908 101 A HA -0.225 4.100 4.320 0.008 0.000 0.218 101 A C 2.262 179.890 177.584 0.074 0.000 1.181 101 A CA 1.708 53.775 52.037 0.051 0.000 0.627 101 A CB -0.819 18.203 19.000 0.037 0.000 0.818 101 A HN 0.396 nan 8.150 nan 0.000 0.445 102 L N -0.358 120.929 121.223 0.107 0.000 2.027 102 L HA 0.011 4.355 4.340 0.008 0.000 0.206 102 L C 2.690 179.715 176.870 0.260 0.000 1.074 102 L CA 2.133 57.072 54.840 0.165 0.000 0.745 102 L CB -0.872 41.270 42.059 0.138 0.000 0.898 102 L HN 0.335 nan 8.230 nan 0.000 0.433 103 A N -1.063 121.966 122.820 0.348 0.000 1.940 103 A HA -0.264 4.061 4.320 0.008 0.000 0.219 103 A C 2.301 179.926 177.584 0.069 0.000 1.176 103 A CA 1.839 53.999 52.037 0.204 0.000 0.631 103 A CB -0.720 18.374 19.000 0.157 0.000 0.814 103 A HN 0.635 nan 8.150 nan 0.000 0.446 104 Q N -0.195 119.639 119.800 0.057 0.000 2.046 104 Q HA -0.210 4.135 4.340 0.008 0.000 0.200 104 Q C 2.096 178.094 176.000 -0.003 0.000 0.975 104 Q CA 2.068 57.875 55.803 0.006 0.000 0.836 104 Q CB -0.211 28.531 28.738 0.007 0.000 0.896 104 Q HN 0.483 nan 8.270 nan 0.000 0.428 105 K N 0.726 121.136 120.400 0.018 0.000 2.032 105 K HA -0.093 4.232 4.320 0.008 0.000 0.209 105 K C 2.247 178.840 176.600 -0.011 0.000 1.048 105 K CA 1.296 57.578 56.287 -0.008 0.000 0.927 105 K CB -0.639 31.862 32.500 0.003 0.000 0.712 105 K HN 0.267 nan 8.250 nan 0.000 0.441 106 L N -0.085 121.174 121.223 0.060 0.000 2.046 106 L HA -0.165 4.180 4.340 0.008 0.000 0.208 106 L C 2.461 179.339 176.870 0.012 0.000 1.077 106 L CA 1.385 56.286 54.840 0.103 0.000 0.747 106 L CB -0.700 41.461 42.059 0.170 0.000 0.896 106 L HN 0.263 nan 8.230 nan 0.000 0.432 107 A N -0.319 122.480 122.820 -0.036 0.000 1.908 107 A HA -0.285 4.040 4.320 0.008 0.000 0.218 107 A C 2.305 179.836 177.584 -0.088 0.000 1.181 107 A CA 2.028 54.011 52.037 -0.090 0.000 0.627 107 A CB -0.588 18.336 19.000 -0.128 0.000 0.818 107 A HN 0.494 nan 8.150 nan 0.000 0.445 108 E N -0.225 119.927 120.200 -0.080 0.000 2.077 108 E HA -0.164 4.190 4.350 0.008 0.000 0.193 108 E C 1.874 178.401 176.600 -0.121 0.000 0.989 108 E CA 1.288 57.633 56.400 -0.091 0.000 0.800 108 E CB -0.167 29.480 29.700 -0.088 0.000 0.746 108 E HN 0.672 nan 8.360 nan 0.000 0.452 109 L N 0.540 121.665 121.223 -0.164 0.000 2.270 109 L HA 0.122 4.467 4.340 0.008 0.000 0.210 109 L C 1.324 178.205 176.870 0.018 0.000 1.104 109 L CA 0.081 54.764 54.840 -0.261 0.000 0.804 109 L CB -0.253 41.468 42.059 -0.564 0.000 0.937 109 L HN 0.015 nan 8.230 nan 0.000 0.450 110 A N 1.429 124.256 122.820 0.011 0.000 2.462 110 A HA 0.353 4.678 4.320 0.008 0.000 0.243 110 A C -2.072 175.452 177.584 -0.100 0.000 1.076 110 A CA -0.907 51.050 52.037 -0.135 0.000 0.773 110 A CB -0.455 18.393 19.000 -0.252 0.000 1.010 110 A HN -0.017 nan 8.150 nan 0.000 0.493 111 P HA 0.433 nan 4.420 nan 0.000 0.278 111 P C 0.909 178.154 177.300 -0.093 0.000 1.266 111 P CA 0.944 64.004 63.100 -0.067 0.000 0.807 111 P CB 0.613 32.282 31.700 -0.051 0.000 1.094 112 G N 2.064 110.824 108.800 -0.067 0.000 2.614 112 G HA2 -0.286 3.679 3.960 0.008 0.000 0.303 112 G HA3 -0.286 3.679 3.960 0.008 0.000 0.303 112 G C 0.093 174.951 174.900 -0.071 0.000 1.270 112 G CA 0.866 45.925 45.100 -0.069 0.000 0.988 112 G HN 0.720 nan 8.290 nan 0.000 0.551 113 D N 0.403 120.761 120.400 -0.070 0.000 2.587 113 D HA 0.285 4.930 4.640 0.008 0.000 0.233 113 D C 0.877 177.147 176.300 -0.051 0.000 1.213 113 D CA -0.292 53.676 54.000 -0.052 0.000 0.827 113 D CB -0.422 40.362 40.800 -0.028 0.000 1.006 113 D HN 0.480 nan 8.370 nan 0.000 0.490 114 L N 0.976 122.145 121.223 -0.090 0.000 2.401 114 L HA 0.223 4.568 4.340 0.008 0.000 0.283 114 L C 0.668 177.466 176.870 -0.119 0.000 1.151 114 L CA -0.185 54.594 54.840 -0.101 0.000 0.942 114 L CB -0.012 41.945 42.059 -0.169 0.000 1.283 114 L HN -0.028 nan 8.230 nan 0.000 0.442 115 N N 0.341 118.967 118.700 -0.124 0.000 2.159 115 N HA 0.147 4.892 4.740 0.008 0.000 0.217 115 N C -0.282 174.893 175.510 -0.559 0.000 1.223 115 N CA 0.002 52.854 53.050 -0.330 0.000 0.896 115 N CB 0.702 38.943 38.487 -0.411 0.000 1.064 115 N HN 0.480 nan 8.380 nan 0.000 0.518 116 H N -0.362 118.671 119.070 -0.062 0.000 2.806 116 H HA 0.453 5.014 4.556 0.008 0.000 0.367 116 H C -0.831 174.442 175.328 -0.092 0.000 1.136 116 H CA -0.536 55.475 56.048 -0.061 0.000 1.178 116 H CB 2.612 32.354 29.762 -0.035 0.000 1.718 116 H HN -0.318 nan 8.280 nan 0.000 0.540 117 V N 3.313 123.191 119.914 -0.061 0.000 2.540 117 V HA 0.237 4.362 4.120 0.008 0.000 0.302 117 V C -0.686 175.231 176.094 -0.296 0.000 1.035 117 V CA -0.785 61.368 62.300 -0.244 0.000 0.873 117 V CB 2.164 33.680 31.823 -0.512 0.000 0.992 117 V HN 0.587 nan 8.190 nan 0.000 0.428 118 F N 4.952 124.744 119.950 -0.264 0.000 2.375 118 F HA 0.690 5.222 4.527 0.008 0.000 0.361 118 F C -0.394 175.349 175.800 -0.096 0.000 1.117 118 F CA -0.651 57.274 58.000 -0.125 0.000 1.037 118 F CB 0.717 39.758 39.000 0.069 0.000 1.192 118 F HN 0.371 nan 8.300 nan 0.000 0.452 119 F N 4.238 124.218 119.950 0.049 0.000 2.389 119 F HA 0.627 5.158 4.527 0.008 0.000 0.337 119 F C 0.587 176.607 175.800 0.368 0.000 1.112 119 F CA -0.077 58.033 58.000 0.183 0.000 1.192 119 F CB 0.843 39.897 39.000 0.091 0.000 1.185 119 F HN 0.539 nan 8.300 nan 0.000 0.552 120 A N 0.902 124.063 122.820 0.568 0.000 2.535 120 A HA 0.651 4.976 4.320 0.008 0.000 0.296 120 A C 0.821 178.560 177.584 0.258 0.000 1.248 120 A CA -0.102 52.211 52.037 0.461 0.000 0.686 120 A CB 0.453 19.696 19.000 0.406 0.000 1.315 120 A HN 0.792 nan 8.150 nan 0.000 0.460 121 G N -1.517 107.317 108.800 0.057 0.000 2.777 121 G HA2 0.491 4.456 3.960 0.008 0.000 0.211 121 G HA3 0.491 4.456 3.960 0.008 0.000 0.211 121 G C 0.684 175.629 174.900 0.074 0.000 1.149 121 G CA 1.190 46.331 45.100 0.069 0.000 0.785 121 G HN 1.961 nan 8.290 nan 0.000 0.536 122 G N -1.976 106.874 108.800 0.084 0.000 2.323 122 G HA2 0.421 4.386 3.960 0.008 0.000 0.291 122 G HA3 0.421 4.386 3.960 0.008 0.000 0.291 122 G C 0.730 175.704 174.900 0.124 0.000 1.278 122 G CA 0.182 45.347 45.100 0.109 0.000 0.860 122 G HN 0.513 nan 8.290 nan 0.000 0.504 123 G N -0.099 108.783 108.800 0.137 0.000 2.394 123 G HA2 0.100 4.065 3.960 0.008 0.000 0.215 123 G HA3 0.100 4.065 3.960 0.008 0.000 0.215 123 G C 1.945 176.919 174.900 0.124 0.000 1.165 123 G CA 2.192 47.380 45.100 0.146 0.000 0.784 123 G HN 0.857 nan 8.290 nan 0.000 0.535 124 S N 0.689 116.455 115.700 0.109 0.000 2.348 124 S HA -0.114 4.361 4.470 0.008 0.000 0.221 124 S C 2.107 176.761 174.600 0.090 0.000 1.033 124 S CA 1.446 59.700 58.200 0.089 0.000 1.010 124 S CB -0.331 62.924 63.200 0.092 0.000 0.891 124 S HN 0.543 nan 8.310 nan 0.000 0.442 125 E N 1.008 121.234 120.200 0.044 0.000 2.118 125 E HA -0.146 4.209 4.350 0.008 0.000 0.195 125 E C 2.276 179.004 176.600 0.213 0.000 0.992 125 E CA 1.010 57.413 56.400 0.004 0.000 0.804 125 E CB -0.235 29.201 29.700 -0.439 0.000 0.741 125 E HN 0.520 nan 8.360 nan 0.000 0.458 126 A N 1.390 124.324 122.820 0.189 0.000 1.930 126 A HA -0.158 4.167 4.320 0.008 0.000 0.217 126 A C 1.838 179.518 177.584 0.162 0.000 1.175 126 A CA 1.118 53.297 52.037 0.236 0.000 0.627 126 A CB -0.264 18.863 19.000 0.213 0.000 0.815 126 A HN 0.133 nan 8.150 nan 0.000 0.443 127 N N 0.347 119.119 118.700 0.120 0.000 2.309 127 N HA -0.110 4.635 4.740 0.008 0.000 0.182 127 N C 0.981 176.527 175.510 0.060 0.000 1.018 127 N CA 1.508 54.596 53.050 0.063 0.000 0.876 127 N CB -0.394 38.120 38.487 0.045 0.000 0.972 127 N HN 0.536 nan 8.380 nan 0.000 0.434 128 D N -0.319 120.155 120.400 0.124 0.000 2.117 128 D HA -0.074 4.570 4.640 0.008 0.000 0.197 128 D C 1.725 178.058 176.300 0.054 0.000 0.987 128 D CA 1.270 55.355 54.000 0.141 0.000 0.829 128 D CB -0.212 40.747 40.800 0.264 0.000 0.961 128 D HN 0.159 nan 8.370 nan 0.000 0.460 129 T N 0.835 115.448 114.554 0.097 0.000 2.624 129 T HA -0.195 4.160 4.350 0.008 0.000 0.268 129 T C 1.583 176.168 174.700 -0.192 0.000 1.041 129 T CA 1.421 63.382 62.100 -0.232 0.000 1.159 129 T CB -0.391 68.482 68.868 0.008 0.000 0.863 129 T HN 0.130 nan 8.240 nan 0.000 0.434 130 N N 1.076 119.731 118.700 -0.076 0.000 2.104 130 N HA -0.001 4.744 4.740 0.008 0.000 0.190 130 N C 1.917 177.374 175.510 -0.088 0.000 1.024 130 N CA 0.954 53.951 53.050 -0.089 0.000 0.853 130 N CB -0.570 37.881 38.487 -0.060 0.000 1.008 130 N HN 0.404 nan 8.380 nan 0.000 0.424 131 I N 1.084 121.619 120.570 -0.059 0.000 2.163 131 I HA -0.248 3.926 4.170 0.008 0.000 0.243 131 I C 2.317 178.416 176.117 -0.029 0.000 1.085 131 I CA 1.191 62.470 61.300 -0.035 0.000 1.347 131 I CB -0.141 37.851 38.000 -0.012 0.000 1.044 131 I HN 0.093 nan 8.210 nan 0.000 0.408 132 R N -0.010 120.460 120.500 -0.050 0.000 2.092 132 R HA -0.134 4.211 4.340 0.008 0.000 0.231 132 R C 2.316 178.630 176.300 0.023 0.000 1.119 132 R CA 1.337 57.437 56.100 -0.000 0.000 0.970 132 R CB -0.310 29.946 30.300 -0.073 0.000 0.864 132 R HN 0.402 nan 8.270 nan 0.000 0.440 133 M N 1.085 120.621 119.600 -0.106 0.000 2.132 133 M HA -0.142 4.343 4.480 0.008 0.000 0.263 133 M C 2.272 178.425 176.300 -0.244 0.000 1.065 133 M CA 1.634 56.705 55.300 -0.381 0.000 1.122 133 M CB 0.053 32.375 32.600 -0.463 0.000 1.365 133 M HN 0.107 nan 8.290 nan 0.000 0.411 134 V N -1.260 118.567 119.914 -0.145 0.000 2.358 134 V HA -0.203 3.922 4.120 0.008 0.000 0.246 134 V C 2.096 178.247 176.094 0.095 0.000 1.047 134 V CA 1.773 64.023 62.300 -0.083 0.000 1.035 134 V CB -1.135 30.665 31.823 -0.039 0.000 0.658 134 V HN 0.483 nan 8.190 nan 0.000 0.452 135 R N 0.459 121.018 120.500 0.099 0.000 2.073 135 R HA -0.082 4.262 4.340 0.008 0.000 0.234 135 R C 2.544 178.911 176.300 0.111 0.000 1.134 135 R CA 2.105 58.294 56.100 0.149 0.000 0.952 135 R CB -0.963 29.391 30.300 0.090 0.000 0.850 135 R HN 0.597 nan 8.270 nan 0.000 0.433 136 T N 0.513 115.085 114.554 0.030 0.000 2.746 136 T HA -0.214 4.140 4.350 0.008 0.000 0.267 136 T C 1.448 176.097 174.700 -0.085 0.000 1.039 136 T CA 1.444 63.534 62.100 -0.017 0.000 1.142 136 T CB -0.458 68.384 68.868 -0.044 0.000 0.866 136 T HN 0.323 nan 8.240 nan 0.000 0.444 137 Y N 0.455 120.585 120.300 -0.284 0.000 2.069 137 Y HA -0.290 4.265 4.550 0.009 0.000 0.278 137 Y C 1.993 177.677 175.900 -0.360 0.000 1.175 137 Y CA 1.448 59.298 58.100 -0.417 0.000 1.134 137 Y CB -0.531 37.560 38.460 -0.614 0.000 0.965 137 Y HN 0.299 nan 8.280 nan 0.000 0.498 138 W N 0.464 121.762 121.300 -0.003 0.000 2.418 138 W HA -0.118 4.546 4.660 0.007 0.000 0.292 138 W C 2.530 178.975 176.519 -0.123 0.000 1.213 138 W CA 1.139 58.440 57.345 -0.075 0.000 1.283 138 W CB -0.428 29.051 29.460 0.033 0.000 1.119 138 W HN 0.110 nan 8.180 nan 0.000 0.542 139 Q N 0.368 120.233 119.800 0.107 0.000 2.030 139 Q HA -0.221 4.124 4.340 0.008 0.000 0.204 139 Q C 1.837 177.809 176.000 -0.047 0.000 0.986 139 Q CA 1.638 57.459 55.803 0.031 0.000 0.843 139 Q CB -0.616 28.137 28.738 0.024 0.000 0.904 139 Q HN 0.248 nan 8.270 nan 0.000 0.420 140 N N 0.430 119.053 118.700 -0.130 0.000 2.272 140 N HA -0.131 4.614 4.740 0.008 0.000 0.185 140 N C 0.983 176.365 175.510 -0.214 0.000 1.014 140 N CA 1.021 53.958 53.050 -0.189 0.000 0.870 140 N CB 0.004 38.333 38.487 -0.265 0.000 0.975 140 N HN -0.019 nan 8.380 nan 0.000 0.433 141 K N -0.280 119.977 120.400 -0.238 0.000 2.417 141 K HA 0.259 4.584 4.320 0.008 0.000 0.196 141 K C 0.617 177.197 176.600 -0.033 0.000 1.023 141 K CA -0.115 56.069 56.287 -0.173 0.000 1.122 141 K CB -0.305 32.075 32.500 -0.200 0.000 0.850 141 K HN 0.198 nan 8.250 nan 0.000 0.521 142 G N 1.280 110.067 108.800 -0.022 0.000 2.176 142 G HA2 -0.302 3.663 3.960 0.008 0.000 0.252 142 G HA3 -0.302 3.663 3.960 0.008 0.000 0.252 142 G C -0.167 174.752 174.900 0.031 0.000 1.024 142 G CA 0.167 45.269 45.100 0.003 0.000 0.755 142 G HN 0.432 nan 8.290 nan 0.000 0.507 143 Q N -0.500 119.345 119.800 0.075 0.000 2.943 143 Q HA 0.243 4.588 4.340 0.008 0.000 0.327 143 Q C -1.608 174.434 176.000 0.069 0.000 0.937 143 Q CA -1.527 54.318 55.803 0.069 0.000 0.914 143 Q CB 1.712 30.513 28.738 0.105 0.000 1.339 143 Q HN 0.345 nan 8.270 nan 0.000 0.417 144 P HA -0.119 nan 4.420 nan 0.000 0.237 144 P C 0.464 177.771 177.300 0.012 0.000 1.178 144 P CA 0.787 63.912 63.100 0.041 0.000 0.766 144 P CB 0.559 32.274 31.700 0.024 0.000 0.876 145 E N 0.717 120.904 120.200 -0.022 0.000 2.274 145 E HA -0.058 4.297 4.350 0.008 0.000 0.194 145 E C 0.617 177.163 176.600 -0.090 0.000 0.996 145 E CA 0.627 56.996 56.400 -0.052 0.000 0.840 145 E CB -0.303 29.357 29.700 -0.068 0.000 0.772 145 E HN 0.429 nan 8.360 nan 0.000 0.491 146 K N 1.594 121.916 120.400 -0.130 0.000 2.083 146 K HA 0.055 4.380 4.320 0.008 0.000 0.246 146 K C 0.947 177.485 176.600 -0.104 0.000 1.160 146 K CA 0.176 56.305 56.287 -0.262 0.000 1.060 146 K CB 0.115 32.202 32.500 -0.689 0.000 1.417 146 K HN 0.075 nan 8.250 nan 0.000 0.329 147 T N -3.175 111.339 114.554 -0.067 0.000 2.955 147 T HA 0.081 4.436 4.350 0.008 0.000 0.251 147 T C 0.676 175.370 174.700 -0.009 0.000 1.002 147 T CA -0.217 61.880 62.100 -0.005 0.000 0.970 147 T CB 0.325 69.194 68.868 0.001 0.000 1.091 147 T HN 0.030 nan 8.240 nan 0.000 0.495 148 V N 3.062 122.952 119.914 -0.041 0.000 2.555 148 V HA 0.378 4.502 4.120 0.008 0.000 0.286 148 V C 0.130 176.216 176.094 -0.015 0.000 1.044 148 V CA -0.531 61.752 62.300 -0.029 0.000 1.026 148 V CB 0.606 32.399 31.823 -0.050 0.000 0.981 148 V HN 0.447 nan 8.190 nan 0.000 0.480 149 I N 6.032 126.597 120.570 -0.008 0.000 2.336 149 I HA 0.434 4.609 4.170 0.008 0.000 0.292 149 I C -0.184 175.930 176.117 -0.005 0.000 0.991 149 I CA -0.329 60.967 61.300 -0.008 0.000 1.227 149 I CB 1.465 39.444 38.000 -0.035 0.000 1.366 149 I HN 0.428 nan 8.210 nan 0.000 0.466 150 I N 5.354 125.966 120.570 0.070 0.000 2.353 150 I HA 0.324 4.499 4.170 0.008 0.000 0.293 150 I C 0.433 176.626 176.117 0.128 0.000 0.992 150 I CA 0.348 61.747 61.300 0.164 0.000 1.268 150 I CB 1.636 39.806 38.000 0.284 0.000 1.387 150 I HN 0.615 nan 8.210 nan 0.000 0.478 151 S N 5.762 121.474 115.700 0.019 0.000 3.132 151 S HA 0.677 5.152 4.470 0.008 0.000 0.322 151 S C -0.899 173.803 174.600 0.171 0.000 1.124 151 S CA -0.761 57.421 58.200 -0.031 0.000 0.906 151 S CB 1.553 64.686 63.200 -0.111 0.000 1.349 151 S HN 0.598 nan 8.310 nan 0.000 0.686 152 R N 0.662 121.321 120.500 0.265 0.000 2.725 152 R HA 0.441 4.786 4.340 0.008 0.000 0.277 152 R C -1.215 175.292 176.300 0.345 0.000 0.987 152 R CA -0.919 55.368 56.100 0.312 0.000 0.901 152 R CB 1.605 32.066 30.300 0.268 0.000 1.207 152 R HN 0.495 nan 8.270 nan 0.000 0.463 153 K N 1.658 122.210 120.400 0.253 0.000 2.485 153 K HA -0.104 4.221 4.320 0.008 0.000 0.277 153 K C 0.424 177.097 176.600 0.122 0.000 0.990 153 K CA 0.492 56.865 56.287 0.144 0.000 0.994 153 K CB 0.080 32.638 32.500 0.097 0.000 0.906 153 K HN 0.638 nan 8.250 nan 0.000 0.488 154 N N -0.398 118.349 118.700 0.079 0.000 2.800 154 N HA -0.204 4.540 4.740 0.008 0.000 0.250 154 N C -0.981 174.571 175.510 0.071 0.000 1.078 154 N CA 1.000 54.089 53.050 0.065 0.000 0.804 154 N CB -0.898 37.630 38.487 0.067 0.000 1.135 154 N HN 0.685 nan 8.380 nan 0.000 0.565 155 A N -0.272 122.605 122.820 0.095 0.000 2.287 155 A HA 0.540 4.865 4.320 0.008 0.000 0.273 155 A C -0.406 177.160 177.584 -0.031 0.000 1.091 155 A CA -0.030 52.014 52.037 0.011 0.000 0.817 155 A CB 0.412 19.469 19.000 0.095 0.000 1.069 155 A HN 0.459 nan 8.150 nan 0.000 0.492 156 Y N 0.215 120.281 120.300 -0.390 0.000 2.354 156 Y HA 0.477 5.031 4.550 0.008 0.000 0.330 156 Y C 0.030 175.614 175.900 -0.526 0.000 1.011 156 Y CA -0.485 57.427 58.100 -0.314 0.000 1.099 156 Y CB 1.443 39.774 38.460 -0.215 0.000 1.179 156 Y HN 0.781 nan 8.280 nan 0.000 0.442 157 H N 3.645 122.415 119.070 -0.501 0.000 3.078 157 H HA 0.488 5.048 4.556 0.008 0.000 0.263 157 H C 0.608 175.730 175.328 -0.343 0.000 1.177 157 H CA 0.457 56.337 56.048 -0.281 0.000 1.128 157 H CB 1.212 30.900 29.762 -0.123 0.000 1.623 157 H HN 0.873 nan 8.280 nan 0.000 0.592 158 G N 0.150 108.532 108.800 -0.696 0.000 2.334 158 G HA2 -0.090 3.874 3.960 0.008 0.000 0.315 158 G HA3 -0.090 3.874 3.960 0.008 0.000 0.315 158 G C -0.366 174.430 174.900 -0.173 0.000 1.284 158 G CA -0.027 44.913 45.100 -0.266 0.000 0.985 158 G HN 0.030 nan 8.290 nan 0.000 0.504 159 S N -0.606 115.151 115.700 0.094 0.000 2.846 159 S HA 0.422 4.897 4.470 0.008 0.000 0.249 159 S C 1.126 175.792 174.600 0.110 0.000 1.028 159 S CA 1.186 59.489 58.200 0.171 0.000 1.043 159 S CB -0.619 62.783 63.200 0.338 0.000 0.990 159 S HN 1.682 nan 8.310 nan 0.000 0.564 160 T N -0.769 113.838 114.554 0.088 0.000 2.766 160 T HA 0.338 4.693 4.350 0.008 0.000 0.295 160 T C 1.628 176.376 174.700 0.079 0.000 1.024 160 T CA -0.311 61.838 62.100 0.082 0.000 1.018 160 T CB 0.630 69.553 68.868 0.091 0.000 1.002 160 T HN -0.065 nan 8.240 nan 0.000 0.532 161 V N 1.569 121.528 119.914 0.075 0.000 2.255 161 V HA -0.168 3.957 4.120 0.008 0.000 0.247 161 V C 3.051 179.191 176.094 0.077 0.000 1.051 161 V CA 2.493 64.836 62.300 0.072 0.000 1.018 161 V CB -1.610 30.250 31.823 0.062 0.000 0.641 161 V HN 1.085 nan 8.190 nan 0.000 0.445 162 A N 0.218 123.081 122.820 0.072 0.000 1.930 162 A HA -0.130 4.195 4.320 0.008 0.000 0.215 162 A C 2.488 180.112 177.584 0.065 0.000 1.176 162 A CA 1.818 53.893 52.037 0.064 0.000 0.632 162 A CB -0.560 18.475 19.000 0.059 0.000 0.819 162 A HN 0.670 nan 8.150 nan 0.000 0.445 163 S N -0.811 114.929 115.700 0.067 0.000 2.436 163 S HA -0.101 4.374 4.470 0.008 0.000 0.228 163 S C 2.085 176.714 174.600 0.049 0.000 1.014 163 S CA 1.377 59.609 58.200 0.053 0.000 0.950 163 S CB -0.605 62.623 63.200 0.046 0.000 0.784 163 S HN 0.515 nan 8.310 nan 0.000 0.504 164 S N 2.268 118.008 115.700 0.067 0.000 2.370 164 S HA -0.086 4.389 4.470 0.008 0.000 0.226 164 S C 2.147 176.896 174.600 0.249 0.000 1.033 164 S CA 1.422 59.694 58.200 0.120 0.000 1.011 164 S CB -1.021 62.267 63.200 0.146 0.000 0.852 164 S HN 0.816 nan 8.310 nan 0.000 0.457 165 A N 1.396 124.330 122.820 0.189 0.000 1.908 165 A HA 0.014 4.339 4.320 0.008 0.000 0.218 165 A C 2.257 180.001 177.584 0.266 0.000 1.181 165 A CA 1.568 53.697 52.037 0.153 0.000 0.627 165 A CB -0.793 18.237 19.000 0.051 0.000 0.818 165 A HN 0.601 nan 8.150 nan 0.000 0.445 166 L N -0.457 120.883 121.223 0.195 0.000 2.093 166 L HA -0.015 4.329 4.340 0.008 0.000 0.208 166 L C 1.935 179.060 176.870 0.424 0.000 1.085 166 L CA 0.265 55.211 54.840 0.176 0.000 0.755 166 L CB -1.077 40.992 42.059 0.018 0.000 0.904 166 L HN 0.486 nan 8.230 nan 0.000 0.435 167 G N -0.801 108.218 108.800 0.366 0.000 2.699 167 G HA2 0.258 4.222 3.960 0.008 0.000 0.246 167 G HA3 0.258 4.222 3.960 0.008 0.000 0.246 167 G C 0.548 175.673 174.900 0.375 0.000 1.219 167 G CA 0.179 45.433 45.100 0.257 0.000 0.866 167 G HN 0.326 nan 8.290 nan 0.000 0.572 168 G N -0.162 108.732 108.800 0.156 0.000 4.331 168 G HA2 0.394 4.359 3.960 0.008 0.000 0.299 168 G HA3 0.394 4.359 3.960 0.008 0.000 0.299 168 G C 0.235 175.030 174.900 -0.174 0.000 1.158 168 G CA -0.424 44.687 45.100 0.017 0.000 0.916 168 G HN 0.320 nan 8.290 nan 0.000 0.553 169 M N 1.549 120.940 119.600 -0.350 0.000 2.066 169 M HA 0.396 4.880 4.480 0.008 0.000 0.340 169 M C 1.322 177.338 176.300 -0.472 0.000 1.053 169 M CA -1.170 53.972 55.300 -0.264 0.000 0.983 169 M CB 0.960 33.531 32.600 -0.047 0.000 1.520 169 M HN 0.127 nan 8.290 nan 0.000 0.428 170 A N 3.420 126.086 122.820 -0.257 0.000 1.948 170 A HA -0.094 4.231 4.320 0.008 0.000 0.220 170 A C 1.984 179.528 177.584 -0.068 0.000 1.177 170 A CA 2.441 54.398 52.037 -0.133 0.000 0.636 170 A CB -0.970 18.010 19.000 -0.033 0.000 0.815 170 A HN 0.931 nan 8.150 nan 0.000 0.449 171 G N -1.043 107.734 108.800 -0.039 0.000 2.422 171 G HA2 -0.148 3.817 3.960 0.008 0.000 0.218 171 G HA3 -0.148 3.817 3.960 0.008 0.000 0.218 171 G C 1.621 176.535 174.900 0.024 0.000 1.140 171 G CA 1.091 46.199 45.100 0.013 0.000 0.775 171 G HN 0.497 nan 8.290 nan 0.000 0.545 172 M N -0.415 119.190 119.600 0.008 0.000 2.123 172 M HA 0.029 4.514 4.480 0.008 0.000 0.263 172 M C 2.301 178.657 176.300 0.093 0.000 1.069 172 M CA 1.224 56.554 55.300 0.051 0.000 1.133 172 M CB -0.523 32.137 32.600 0.101 0.000 1.356 172 M HN 0.327 nan 8.290 nan 0.000 0.415 173 H N 0.033 119.130 119.070 0.045 0.000 2.352 173 H HA -0.099 4.462 4.556 0.008 0.000 0.299 173 H C 2.224 177.564 175.328 0.021 0.000 1.097 173 H CA 0.976 57.041 56.048 0.027 0.000 1.311 173 H CB -0.088 29.674 29.762 -0.000 0.000 1.377 173 H HN 0.462 nan 8.280 nan 0.000 0.504 174 A N 0.887 123.789 122.820 0.136 0.000 2.024 174 A HA -0.165 4.160 4.320 0.008 0.000 0.220 174 A C 1.361 178.979 177.584 0.056 0.000 1.164 174 A CA 1.166 53.250 52.037 0.077 0.000 0.643 174 A CB -0.114 18.916 19.000 0.049 0.000 0.806 174 A HN 0.469 nan 8.150 nan 0.000 0.451 175 Q N -0.261 119.572 119.800 0.055 0.000 3.008 175 Q HA 0.336 4.681 4.340 0.008 0.000 0.307 175 Q C 0.123 176.146 176.000 0.039 0.000 1.273 175 Q CA 0.063 55.885 55.803 0.031 0.000 1.091 175 Q CB 0.320 29.060 28.738 0.005 0.000 1.393 175 Q HN 0.459 nan 8.270 nan 0.000 0.521 176 S N 0.336 116.063 115.700 0.045 0.000 3.559 176 S HA -0.201 4.273 4.470 0.008 0.000 0.369 176 S C 0.582 175.220 174.600 0.064 0.000 0.987 176 S CA 0.733 58.961 58.200 0.046 0.000 1.187 176 S CB -1.023 62.196 63.200 0.033 0.000 0.914 176 S HN 0.845 nan 8.310 nan 0.000 0.480 177 G N -0.036 108.823 108.800 0.099 0.000 3.899 177 G HA2 0.494 4.459 3.960 0.008 0.000 0.293 177 G HA3 0.494 4.459 3.960 0.008 0.000 0.293 177 G C -0.540 174.459 174.900 0.165 0.000 1.054 177 G CA 0.041 45.229 45.100 0.147 0.000 0.846 177 G HN 0.593 nan 8.290 nan 0.000 0.525 178 L N 1.283 122.542 121.223 0.060 0.000 2.409 178 L HA 0.808 5.153 4.340 0.008 0.000 0.262 178 L C -0.717 176.145 176.870 -0.013 0.000 0.992 178 L CA -1.373 53.438 54.840 -0.048 0.000 0.817 178 L CB 2.330 44.294 42.059 -0.157 0.000 1.350 178 L HN 0.207 nan 8.230 nan 0.000 0.411 179 I N 0.512 121.072 120.570 -0.017 0.000 3.042 179 I HA 0.790 4.965 4.170 0.008 0.000 0.310 179 I C -2.504 173.611 176.117 -0.003 0.000 1.117 179 I CA -2.221 59.081 61.300 0.002 0.000 1.003 179 I CB 1.776 39.786 38.000 0.017 0.000 1.228 179 I HN 0.412 nan 8.210 nan 0.000 0.443 180 P HA 0.200 nan 4.420 nan 0.000 0.271 180 P C -1.000 176.304 177.300 0.008 0.000 1.233 180 P CA 0.283 63.387 63.100 0.007 0.000 0.789 180 P CB 0.197 31.902 31.700 0.008 0.000 0.951 181 D N -1.867 118.540 120.400 0.011 0.000 2.800 181 D HA -0.104 4.541 4.640 0.008 0.000 0.232 181 D C -0.870 175.433 176.300 0.005 0.000 1.137 181 D CA 0.713 54.719 54.000 0.009 0.000 0.718 181 D CB -1.663 39.139 40.800 0.002 0.000 1.084 181 D HN 0.024 nan 8.370 nan 0.000 0.432 182 V N 0.524 120.441 119.914 0.006 0.000 2.531 182 V HA 0.462 4.587 4.120 0.008 0.000 0.301 182 V C -0.029 176.057 176.094 -0.014 0.000 1.034 182 V CA -0.810 61.468 62.300 -0.038 0.000 0.865 182 V CB 2.323 34.107 31.823 -0.064 0.000 0.995 182 V HN 0.268 nan 8.190 nan 0.000 0.424 183 H N 2.939 121.915 119.070 -0.157 0.000 2.529 183 H HA 0.676 5.237 4.556 0.008 0.000 0.348 183 H C -1.011 174.212 175.328 -0.176 0.000 1.079 183 H CA -0.511 55.491 56.048 -0.076 0.000 1.198 183 H CB 1.215 30.958 29.762 -0.032 0.000 1.521 183 H HN 0.784 nan 8.280 nan 0.000 0.514 184 H N 5.126 124.024 119.070 -0.286 0.000 2.511 184 H HA 0.261 4.822 4.556 0.007 0.000 0.328 184 H C 0.260 175.540 175.328 -0.079 0.000 1.044 184 H CA -0.629 55.384 56.048 -0.059 0.000 1.212 184 H CB 0.715 30.480 29.762 0.004 0.000 1.428 184 H HN 0.569 nan 8.280 nan 0.000 0.483 185 I N -0.768 119.920 120.570 0.197 0.000 3.078 185 I HA 0.408 4.582 4.170 0.008 0.000 0.318 185 I C 0.111 176.325 176.117 0.162 0.000 1.016 185 I CA -1.068 60.336 61.300 0.174 0.000 1.130 185 I CB 1.032 39.141 38.000 0.182 0.000 1.397 185 I HN 0.367 nan 8.210 nan 0.000 0.570 186 N N 2.160 120.931 118.700 0.118 0.000 2.381 186 N HA 0.039 4.784 4.740 0.008 0.000 0.241 186 N C -0.650 174.924 175.510 0.108 0.000 1.279 186 N CA -0.067 53.047 53.050 0.105 0.000 0.896 186 N CB 0.645 39.179 38.487 0.079 0.000 1.118 186 N HN 0.642 nan 8.380 nan 0.000 0.438 187 Q N 0.516 120.380 119.800 0.107 0.000 2.222 187 Q HA 0.451 4.796 4.340 0.008 0.000 0.252 187 Q C -2.418 173.619 176.000 0.061 0.000 0.926 187 Q CA -1.693 54.158 55.803 0.079 0.000 0.899 187 Q CB 1.436 30.234 28.738 0.101 0.000 1.250 187 Q HN 0.305 nan 8.270 nan 0.000 0.441 188 P HA 0.040 nan 4.420 nan 0.000 0.212 188 P C -0.965 176.524 177.300 0.315 0.000 1.816 188 P CA -0.134 62.949 63.100 -0.027 0.000 0.944 188 P CB -0.204 31.085 31.700 -0.685 0.000 1.896 189 N N 0.744 119.665 118.700 0.369 0.000 2.555 189 N HA -0.011 4.734 4.740 0.008 0.000 0.244 189 N C 0.708 176.323 175.510 0.175 0.000 1.114 189 N CA -0.550 52.667 53.050 0.279 0.000 0.963 189 N CB -0.143 38.458 38.487 0.190 0.000 1.276 189 N HN 0.188 nan 8.380 nan 0.000 0.510 190 W N 5.364 126.635 121.300 -0.049 0.000 2.358 190 W HA -0.080 4.593 4.660 0.021 0.000 0.303 190 W C 1.831 178.175 176.519 -0.293 0.000 1.208 190 W CA 0.938 57.950 57.345 -0.555 0.000 1.274 190 W CB -0.420 28.884 29.460 -0.261 0.000 1.138 190 W HN 0.615 nan 8.180 nan 0.000 0.515 191 W N 1.152 122.357 121.300 -0.159 0.000 2.302 191 W HA -0.333 4.328 4.660 0.001 0.000 0.320 191 W C 1.929 178.201 176.519 -0.412 0.000 1.241 191 W CA 3.281 60.429 57.345 -0.328 0.000 1.264 191 W CB -1.006 28.434 29.460 -0.033 0.000 1.154 191 W HN 0.053 nan 8.180 nan 0.000 0.483 192 A N -0.272 122.481 122.820 -0.112 0.000 1.984 192 A HA -0.065 4.260 4.320 0.008 0.000 0.214 192 A C 1.670 179.102 177.584 -0.253 0.000 1.173 192 A CA 1.324 53.278 52.037 -0.139 0.000 0.673 192 A CB -0.394 18.649 19.000 0.072 0.000 0.830 192 A HN 0.432 nan 8.150 nan 0.000 0.453 193 E N -1.146 118.880 120.200 -0.289 0.000 2.601 193 E HA 0.117 4.471 4.350 0.008 0.000 0.219 193 E C 1.558 177.923 176.600 -0.391 0.000 0.964 193 E CA 0.284 56.566 56.400 -0.197 0.000 1.050 193 E CB 0.398 30.141 29.700 0.072 0.000 1.068 193 E HN 0.508 nan 8.360 nan 0.000 0.496 194 G N 1.266 109.523 108.800 -0.904 0.000 2.559 194 G HA2 0.020 3.985 3.960 0.008 0.000 0.216 194 G HA3 0.020 3.985 3.960 0.008 0.000 0.216 194 G C 1.066 175.712 174.900 -0.424 0.000 1.126 194 G CA 0.491 44.953 45.100 -1.064 0.000 0.778 194 G HN 0.404 nan 8.290 nan 0.000 0.543 195 G N 0.818 109.389 108.800 -0.381 0.000 2.634 195 G HA2 -0.355 3.610 3.960 0.008 0.000 0.309 195 G HA3 -0.355 3.610 3.960 0.008 0.000 0.309 195 G C 0.663 175.453 174.900 -0.184 0.000 1.265 195 G CA 0.562 45.533 45.100 -0.214 0.000 0.998 195 G HN 0.297 nan 8.290 nan 0.000 0.551 196 D N 1.368 121.734 120.400 -0.057 0.000 2.328 196 D HA 0.164 4.809 4.640 0.008 0.000 0.221 196 D C 1.384 177.743 176.300 0.097 0.000 1.072 196 D CA 0.198 54.199 54.000 0.001 0.000 0.850 196 D CB 0.015 40.818 40.800 0.004 0.000 0.922 196 D HN 0.377 nan 8.370 nan 0.000 0.516 197 M N 1.260 120.951 119.600 0.153 0.000 2.243 197 M HA 0.014 4.499 4.480 0.008 0.000 0.341 197 M C 0.683 177.215 176.300 0.386 0.000 1.130 197 M CA -0.036 55.420 55.300 0.260 0.000 1.162 197 M CB 0.945 33.753 32.600 0.346 0.000 1.497 197 M HN -0.091 nan 8.290 nan 0.000 0.456 198 D N 3.935 124.479 120.400 0.240 0.000 2.399 198 D HA 0.049 4.693 4.640 0.008 0.000 0.241 198 D C -2.036 174.281 176.300 0.028 0.000 1.133 198 D CA -1.304 52.767 54.000 0.117 0.000 0.890 198 D CB 1.325 42.158 40.800 0.054 0.000 1.201 198 D HN 0.237 nan 8.370 nan 0.000 0.432 199 P HA -0.149 nan 4.420 nan 0.000 0.216 199 P C 0.949 178.233 177.300 -0.026 0.000 1.150 199 P CA 1.140 63.931 63.100 -0.516 0.000 0.837 199 P CB 0.264 31.463 31.700 -0.835 0.000 0.786 200 E N -0.027 120.158 120.200 -0.026 0.000 2.072 200 E HA -0.148 4.206 4.350 0.008 0.000 0.190 200 E C 1.973 178.625 176.600 0.087 0.000 0.982 200 E CA 1.059 57.483 56.400 0.041 0.000 0.803 200 E CB -0.752 28.958 29.700 0.017 0.000 0.755 200 E HN 0.445 nan 8.360 nan 0.000 0.453 201 E N 0.108 120.368 120.200 0.101 0.000 2.077 201 E HA -0.166 4.189 4.350 0.008 0.000 0.193 201 E C 1.898 178.600 176.600 0.170 0.000 0.989 201 E CA 0.788 57.259 56.400 0.118 0.000 0.800 201 E CB -0.272 29.504 29.700 0.127 0.000 0.746 201 E HN 0.156 nan 8.360 nan 0.000 0.452 202 F N 1.280 121.297 119.950 0.112 0.000 2.095 202 F HA -0.130 4.401 4.527 0.007 0.000 0.298 202 F C 2.166 178.052 175.800 0.143 0.000 1.104 202 F CA 1.885 59.982 58.000 0.162 0.000 1.232 202 F CB -0.678 38.509 39.000 0.312 0.000 0.987 202 F HN -0.042 nan 8.300 nan 0.000 0.475 203 G N 0.827 109.706 108.800 0.133 0.000 2.440 203 G HA2 -0.250 3.715 3.960 0.008 0.000 0.218 203 G HA3 -0.250 3.715 3.960 0.008 0.000 0.218 203 G C 1.811 176.748 174.900 0.062 0.000 1.154 203 G CA 1.199 46.356 45.100 0.094 0.000 0.767 203 G HN 0.449 nan 8.290 nan 0.000 0.552 204 L N 0.529 121.768 121.223 0.028 0.000 2.017 204 L HA -0.070 4.274 4.340 0.008 0.000 0.208 204 L C 3.433 180.272 176.870 -0.052 0.000 1.073 204 L CA 1.123 55.955 54.840 -0.013 0.000 0.745 204 L CB -0.420 41.642 42.059 0.004 0.000 0.894 204 L HN 0.324 nan 8.230 nan 0.000 0.432 205 A N -0.515 122.266 122.820 -0.065 0.000 1.930 205 A HA -0.163 4.161 4.320 0.008 0.000 0.217 205 A C 2.349 179.850 177.584 -0.139 0.000 1.175 205 A CA 1.146 53.133 52.037 -0.085 0.000 0.627 205 A CB -0.354 18.611 19.000 -0.058 0.000 0.815 205 A HN 0.216 nan 8.150 nan 0.000 0.443 206 R N -0.270 120.083 120.500 -0.245 0.000 2.092 206 R HA -0.025 4.320 4.340 0.008 0.000 0.231 206 R C 2.363 178.669 176.300 0.010 0.000 1.119 206 R CA 1.411 57.397 56.100 -0.190 0.000 0.970 206 R CB -1.186 28.892 30.300 -0.370 0.000 0.864 206 R HN 0.530 nan 8.270 nan 0.000 0.440 207 A N 0.850 123.654 122.820 -0.026 0.000 1.898 207 A HA -0.113 4.211 4.320 0.008 0.000 0.216 207 A C 2.154 179.600 177.584 -0.230 0.000 1.181 207 A CA 1.018 52.878 52.037 -0.296 0.000 0.620 207 A CB -0.323 18.369 19.000 -0.512 0.000 0.819 207 A HN 0.213 nan 8.150 nan 0.000 0.442 208 R N -0.032 120.381 120.500 -0.145 0.000 2.193 208 R HA -0.094 4.251 4.340 0.008 0.000 0.229 208 R C 1.724 177.961 176.300 -0.105 0.000 1.110 208 R CA 1.153 57.186 56.100 -0.111 0.000 0.988 208 R CB -0.238 30.021 30.300 -0.069 0.000 0.871 208 R HN 0.664 nan 8.270 nan 0.000 0.458 209 E N 0.587 120.731 120.200 -0.093 0.000 2.267 209 E HA -0.222 4.133 4.350 0.008 0.000 0.197 209 E C 1.778 178.314 176.600 -0.107 0.000 0.998 209 E CA 0.813 57.173 56.400 -0.066 0.000 0.830 209 E CB -0.072 29.617 29.700 -0.018 0.000 0.751 209 E HN 0.169 nan 8.360 nan 0.000 0.491 210 L N 1.436 122.542 121.223 -0.195 0.000 2.027 210 L HA -0.171 4.173 4.340 0.008 0.000 0.206 210 L C 2.287 178.990 176.870 -0.278 0.000 1.074 210 L CA 1.977 56.638 54.840 -0.299 0.000 0.745 210 L CB -0.377 41.352 42.059 -0.549 0.000 0.898 210 L HN 0.020 nan 8.230 nan 0.000 0.433 211 E N -0.370 119.694 120.200 -0.226 0.000 2.058 211 E HA -0.276 4.079 4.350 0.008 0.000 0.194 211 E C 1.950 178.402 176.600 -0.247 0.000 0.997 211 E CA 1.737 57.998 56.400 -0.231 0.000 0.801 211 E CB -0.165 29.509 29.700 -0.043 0.000 0.746 211 E HN 0.678 nan 8.360 nan 0.000 0.450 212 E N 0.260 120.366 120.200 -0.155 0.000 2.085 212 E HA -0.216 4.138 4.350 0.008 0.000 0.194 212 E C 2.071 178.571 176.600 -0.166 0.000 0.994 212 E CA 1.099 57.424 56.400 -0.125 0.000 0.801 212 E CB -0.204 29.455 29.700 -0.068 0.000 0.743 212 E HN 0.403 nan 8.360 nan 0.000 0.453 213 A N 1.083 123.793 122.820 -0.184 0.000 1.898 213 A HA -0.148 4.177 4.320 0.008 0.000 0.216 213 A C 2.203 179.580 177.584 -0.345 0.000 1.181 213 A CA 1.003 52.874 52.037 -0.277 0.000 0.620 213 A CB -0.550 18.304 19.000 -0.243 0.000 0.819 213 A HN 0.135 nan 8.150 nan 0.000 0.442 214 I N -0.321 120.034 120.570 -0.357 0.000 2.208 214 I HA -0.271 3.904 4.170 0.008 0.000 0.245 214 I C 2.256 178.151 176.117 -0.371 0.000 1.097 214 I CA 1.237 62.289 61.300 -0.414 0.000 1.363 214 I CB -0.267 37.353 38.000 -0.633 0.000 1.051 214 I HN 0.285 nan 8.210 nan 0.000 0.413 215 L N 0.075 121.092 121.223 -0.343 0.000 2.217 215 L HA -0.150 4.195 4.340 0.008 0.000 0.211 215 L C 2.561 179.333 176.870 -0.164 0.000 1.107 215 L CA 0.993 55.697 54.840 -0.226 0.000 0.783 215 L CB -0.541 41.420 42.059 -0.163 0.000 0.919 215 L HN 0.317 nan 8.230 nan 0.000 0.442 216 E N 1.039 121.135 120.200 -0.172 0.000 2.046 216 E HA -0.194 4.161 4.350 0.008 0.000 0.190 216 E C 2.285 178.797 176.600 -0.146 0.000 0.982 216 E CA 1.026 57.345 56.400 -0.135 0.000 0.800 216 E CB -0.014 29.612 29.700 -0.124 0.000 0.756 216 E HN 0.460 nan 8.360 nan 0.000 0.449 217 L N 0.209 121.308 121.223 -0.206 0.000 2.217 217 L HA 0.083 4.428 4.340 0.008 0.000 0.211 217 L C 1.030 177.811 176.870 -0.149 0.000 1.107 217 L CA 0.659 55.389 54.840 -0.184 0.000 0.783 217 L CB -0.343 41.572 42.059 -0.240 0.000 0.919 217 L HN 0.362 nan 8.230 nan 0.000 0.442 218 G N 0.356 109.059 108.800 -0.161 0.000 3.322 218 G HA2 -0.204 3.761 3.960 0.008 0.000 0.686 218 G HA3 -0.204 3.761 3.960 0.008 0.000 0.686 218 G C 0.288 175.086 174.900 -0.170 0.000 1.015 218 G CA 0.010 45.026 45.100 -0.141 0.000 0.826 218 G HN 0.283 nan 8.290 nan 0.000 0.538 219 E N 1.644 121.744 120.200 -0.166 0.000 2.130 219 E HA -0.264 4.091 4.350 0.008 0.000 0.196 219 E C 2.388 178.871 176.600 -0.196 0.000 0.998 219 E CA 1.627 57.925 56.400 -0.170 0.000 0.806 219 E CB -0.088 29.575 29.700 -0.063 0.000 0.738 219 E HN 0.677 nan 8.360 nan 0.000 0.459 220 N N 0.440 119.041 118.700 -0.165 0.000 2.585 220 N HA -0.180 4.565 4.740 0.008 0.000 0.188 220 N C 1.192 176.580 175.510 -0.202 0.000 1.102 220 N CA 0.770 53.709 53.050 -0.186 0.000 0.920 220 N CB -0.197 38.217 38.487 -0.122 0.000 0.963 220 N HN 0.225 nan 8.380 nan 0.000 0.447 221 R N -0.160 120.227 120.500 -0.189 0.000 2.365 221 R HA 0.269 4.613 4.340 0.008 0.000 0.223 221 R C -0.375 175.814 176.300 -0.186 0.000 0.899 221 R CA -0.076 55.925 56.100 -0.165 0.000 1.059 221 R CB 1.031 31.257 30.300 -0.123 0.000 1.086 221 R HN 0.024 nan 8.270 nan 0.000 0.522 222 V N 1.056 120.829 119.914 -0.235 0.000 2.350 222 V HA 0.244 4.369 4.120 0.008 0.000 0.276 222 V C 0.826 176.762 176.094 -0.264 0.000 1.028 222 V CA -0.109 62.071 62.300 -0.201 0.000 0.860 222 V CB 1.336 33.051 31.823 -0.180 0.000 0.990 222 V HN 0.196 nan 8.190 nan 0.000 0.453 223 A N 4.245 126.980 122.820 -0.142 0.000 1.903 223 A HA 0.729 5.054 4.320 0.008 0.000 0.213 223 A C 1.011 178.711 177.584 0.194 0.000 1.185 223 A CA 1.067 53.099 52.037 -0.008 0.000 0.628 223 A CB 0.116 19.219 19.000 0.171 0.000 0.830 223 A HN 1.305 nan 8.150 nan 0.000 0.446 224 A N -2.245 120.640 122.820 0.109 0.000 2.586 224 A HA 0.554 4.878 4.320 0.008 0.000 0.291 224 A C -1.582 176.102 177.584 0.167 0.000 1.062 224 A CA -0.433 51.686 52.037 0.137 0.000 0.666 224 A CB 0.272 19.324 19.000 0.088 0.000 1.281 224 A HN 0.911 nan 8.150 nan 0.000 0.421 225 F N 1.009 120.976 119.950 0.028 0.000 2.520 225 F HA 0.814 5.345 4.527 0.007 0.000 0.322 225 F C -0.760 175.062 175.800 0.036 0.000 1.103 225 F CA -1.110 56.905 58.000 0.024 0.000 0.926 225 F CB 1.316 40.341 39.000 0.042 0.000 1.154 225 F HN 0.646 nan 8.300 nan 0.000 0.453 226 I N 5.177 125.331 120.570 -0.693 0.000 2.509 226 I HA 0.846 5.021 4.170 0.008 0.000 0.293 226 I C -1.589 174.086 176.117 -0.737 0.000 1.020 226 I CA -0.526 60.416 61.300 -0.596 0.000 1.088 226 I CB 1.525 39.214 38.000 -0.519 0.000 1.267 226 I HN 0.861 nan 8.210 nan 0.000 0.430 227 A N 5.585 128.238 122.820 -0.279 0.000 2.566 227 A HA 0.501 4.825 4.320 0.008 0.000 0.297 227 A C -1.363 176.405 177.584 0.306 0.000 1.059 227 A CA -0.692 51.398 52.037 0.089 0.000 0.691 227 A CB 1.241 20.350 19.000 0.181 0.000 1.282 227 A HN 0.726 nan 8.150 nan 0.000 0.401 228 E N 2.404 122.801 120.200 0.328 0.000 2.344 228 E HA 0.240 4.595 4.350 0.008 0.000 0.270 228 E C -1.744 175.051 176.600 0.326 0.000 1.021 228 E CA -1.489 55.044 56.400 0.221 0.000 0.887 228 E CB 0.791 30.544 29.700 0.089 0.000 0.997 228 E HN 0.371 nan 8.360 nan 0.000 0.429 229 P HA -0.133 nan 4.420 nan 0.000 0.216 229 P C -0.311 177.174 177.300 0.308 0.000 1.150 229 P CA 0.963 64.096 63.100 0.055 0.000 0.837 229 P CB 0.333 31.913 31.700 -0.201 0.000 0.786 230 V N -0.150 119.871 119.914 0.177 0.000 2.577 230 V HA 0.193 4.318 4.120 0.008 0.000 0.303 230 V C -0.132 176.007 176.094 0.074 0.000 1.042 230 V CA -0.841 61.550 62.300 0.152 0.000 0.872 230 V CB 1.712 33.584 31.823 0.083 0.000 0.998 230 V HN -0.129 nan 8.190 nan 0.000 0.423 231 Q N 2.286 122.135 119.800 0.081 0.000 2.262 231 Q HA 0.257 4.602 4.340 0.008 0.000 0.272 231 Q C 1.128 177.087 176.000 -0.068 0.000 1.076 231 Q CA 0.650 56.459 55.803 0.010 0.000 0.905 231 Q CB 1.253 30.018 28.738 0.044 0.000 1.182 231 Q HN 0.984 nan 8.270 nan 0.000 0.390 232 G N 1.731 110.390 108.800 -0.234 0.000 2.610 232 G HA2 -0.070 3.895 3.960 0.008 0.000 0.215 232 G HA3 -0.070 3.895 3.960 0.008 0.000 0.215 232 G C 1.136 175.873 174.900 -0.272 0.000 1.243 232 G CA 0.556 45.339 45.100 -0.529 0.000 0.847 232 G HN 0.672 nan 8.290 nan 0.000 0.560 233 A N 0.622 123.251 122.820 -0.317 0.000 2.076 233 A HA 0.174 4.499 4.320 0.008 0.000 0.220 233 A C 2.442 179.992 177.584 -0.056 0.000 1.160 233 A CA 1.935 53.887 52.037 -0.142 0.000 0.653 233 A CB -0.760 17.949 19.000 -0.485 0.000 0.801 233 A HN 0.615 nan 8.150 nan 0.000 0.455 234 G N -1.742 107.040 108.800 -0.030 0.000 2.744 234 G HA2 0.348 4.313 3.960 0.008 0.000 0.211 234 G HA3 0.348 4.313 3.960 0.008 0.000 0.211 234 G C 0.943 175.874 174.900 0.051 0.000 1.143 234 G CA 0.635 45.744 45.100 0.015 0.000 0.788 234 G HN 1.639 nan 8.290 nan 0.000 0.534 235 G N -1.077 107.772 108.800 0.082 0.000 2.157 235 G HA2 0.038 4.003 3.960 0.008 0.000 0.114 235 G HA3 0.038 4.003 3.960 0.008 0.000 0.114 235 G C 0.310 175.289 174.900 0.133 0.000 1.041 235 G CA -0.274 44.892 45.100 0.109 0.000 0.714 235 G HN 1.162 nan 8.290 nan 0.000 0.492 236 V N 0.266 120.273 119.914 0.155 0.000 5.898 236 V HA -0.244 3.881 4.120 0.008 0.000 0.205 236 V C 0.664 176.825 176.094 0.112 0.000 0.697 236 V CA 1.134 63.514 62.300 0.133 0.000 0.666 236 V CB -1.259 30.651 31.823 0.145 0.000 0.661 236 V HN 0.588 nan 8.190 nan 0.000 0.417 237 I N 3.403 124.033 120.570 0.100 0.000 2.297 237 I HA 0.332 4.507 4.170 0.008 0.000 0.291 237 I C 0.313 176.501 176.117 0.118 0.000 1.033 237 I CA -0.234 61.134 61.300 0.114 0.000 1.253 237 I CB 1.364 39.426 38.000 0.103 0.000 1.396 237 I HN 0.211 nan 8.210 nan 0.000 0.476 238 V N 6.491 126.486 119.914 0.135 0.000 2.333 238 V HA 0.443 4.568 4.120 0.008 0.000 0.274 238 V C 0.897 177.077 176.094 0.144 0.000 1.028 238 V CA -0.811 61.577 62.300 0.146 0.000 0.851 238 V CB 1.196 33.101 31.823 0.138 0.000 1.000 238 V HN 0.862 nan 8.190 nan 0.000 0.456 239 A N 7.918 130.811 122.820 0.122 0.000 2.483 239 A HA 0.505 4.830 4.320 0.008 0.000 0.238 239 A C -2.035 175.635 177.584 0.144 0.000 1.070 239 A CA -0.794 51.256 52.037 0.023 0.000 0.770 239 A CB -0.389 18.499 19.000 -0.187 0.000 1.008 239 A HN 0.696 nan 8.150 nan 0.000 0.497 240 P HA 0.014 nan 4.420 nan 0.000 0.269 240 P C 0.049 177.455 177.300 0.176 0.000 1.211 240 P CA -0.086 63.100 63.100 0.143 0.000 0.781 240 P CB 0.422 32.212 31.700 0.150 0.000 0.877 241 D N 0.074 120.553 120.400 0.132 0.000 2.182 241 D HA -0.143 4.502 4.640 0.008 0.000 0.201 241 D C 1.778 178.174 176.300 0.160 0.000 0.986 241 D CA 1.771 55.859 54.000 0.146 0.000 0.847 241 D CB -0.553 40.303 40.800 0.093 0.000 0.942 241 D HN 0.424 nan 8.370 nan 0.000 0.467 242 S N -0.634 115.146 115.700 0.133 0.000 2.447 242 S HA -0.188 4.287 4.470 0.008 0.000 0.233 242 S C 2.029 176.701 174.600 0.121 0.000 1.006 242 S CA 0.290 58.555 58.200 0.109 0.000 0.957 242 S CB -0.541 62.706 63.200 0.079 0.000 0.773 242 S HN 0.337 nan 8.310 nan 0.000 0.507 243 Y N 1.117 121.427 120.300 0.017 0.000 2.092 243 Y HA -0.043 4.511 4.550 0.007 0.000 0.282 243 Y C 2.012 177.847 175.900 -0.108 0.000 1.126 243 Y CA 1.455 59.499 58.100 -0.092 0.000 1.111 243 Y CB -0.822 37.546 38.460 -0.153 0.000 0.987 243 Y HN 0.248 nan 8.280 nan 0.000 0.489 244 W N 0.494 121.854 121.300 0.099 0.000 2.338 244 W HA -0.159 4.503 4.660 0.004 0.000 0.304 244 W C -0.496 175.990 176.519 -0.055 0.000 1.212 244 W CA 1.461 58.800 57.345 -0.009 0.000 1.264 244 W CB -1.683 27.850 29.460 0.122 0.000 1.142 244 W HN 0.204 nan 8.180 nan 0.000 0.512 245 P HA -0.214 nan 4.420 nan 0.000 0.218 245 P C 1.120 178.431 177.300 0.018 0.000 1.149 245 P CA 1.903 65.065 63.100 0.103 0.000 0.817 245 P CB 0.015 31.762 31.700 0.079 0.000 0.785 246 E N -0.545 119.617 120.200 -0.064 0.000 2.112 246 E HA -0.094 4.261 4.350 0.008 0.000 0.190 246 E C 1.933 178.417 176.600 -0.194 0.000 0.979 246 E CA 0.732 57.058 56.400 -0.122 0.000 0.814 246 E CB -0.826 28.790 29.700 -0.140 0.000 0.762 246 E HN -0.035 nan 8.360 nan 0.000 0.460 247 I N 0.989 121.354 120.570 -0.342 0.000 2.163 247 I HA -0.251 3.924 4.170 0.008 0.000 0.243 247 I C 2.366 178.441 176.117 -0.070 0.000 1.085 247 I CA 1.412 62.502 61.300 -0.349 0.000 1.347 247 I CB -1.222 36.439 38.000 -0.565 0.000 1.044 247 I HN 0.309 nan 8.210 nan 0.000 0.408 248 Q N 1.186 121.028 119.800 0.070 0.000 2.084 248 Q HA -0.213 4.132 4.340 0.008 0.000 0.202 248 Q C 2.367 178.391 176.000 0.040 0.000 0.978 248 Q CA 1.712 57.578 55.803 0.106 0.000 0.844 248 Q CB -0.366 28.451 28.738 0.132 0.000 0.898 248 Q HN 0.315 nan 8.270 nan 0.000 0.426 249 R N -0.369 120.135 120.500 0.006 0.000 2.083 249 R HA -0.125 4.220 4.340 0.008 0.000 0.237 249 R C 2.198 178.489 176.300 -0.016 0.000 1.137 249 R CA 1.748 57.841 56.100 -0.012 0.000 0.951 249 R CB -0.384 29.901 30.300 -0.025 0.000 0.851 249 R HN 0.407 nan 8.270 nan 0.000 0.434 250 I N 0.043 120.603 120.570 -0.017 0.000 2.226 250 I HA -0.337 3.837 4.170 0.008 0.000 0.245 250 I C 2.371 178.549 176.117 0.101 0.000 1.100 250 I CA 0.957 62.283 61.300 0.043 0.000 1.374 250 I CB -0.238 37.753 38.000 -0.016 0.000 1.057 250 I HN 0.325 nan 8.210 nan 0.000 0.413 251 C N 0.430 119.767 119.300 0.062 0.000 2.432 251 C HA -0.114 4.351 4.460 0.008 0.000 0.280 251 C C 2.355 177.417 174.990 0.121 0.000 1.353 251 C CA 0.485 59.576 59.018 0.121 0.000 1.766 251 C CB -1.030 26.806 27.740 0.160 0.000 1.924 251 C HN 0.514 nan 8.230 nan 0.000 0.509 252 D N 0.759 121.196 120.400 0.063 0.000 2.091 252 D HA -0.102 4.543 4.640 0.008 0.000 0.199 252 D C 2.141 178.430 176.300 -0.020 0.000 0.980 252 D CA 0.997 55.016 54.000 0.032 0.000 0.831 252 D CB -0.427 40.375 40.800 0.004 0.000 0.987 252 D HN 0.451 nan 8.370 nan 0.000 0.460 253 K N -0.698 119.642 120.400 -0.099 0.000 2.059 253 K HA -0.168 4.156 4.320 0.008 0.000 0.212 253 K C 0.132 176.478 176.600 -0.423 0.000 1.050 253 K CA 1.134 57.234 56.287 -0.312 0.000 0.927 253 K CB -0.005 32.208 32.500 -0.478 0.000 0.714 253 K HN 0.069 nan 8.250 nan 0.000 0.447 254 Y N 0.231 120.526 120.300 -0.009 0.000 2.419 254 Y HA 0.136 4.690 4.550 0.007 0.000 0.328 254 Y C -0.145 175.766 175.900 0.018 0.000 1.162 254 Y CA -1.162 56.928 58.100 -0.016 0.000 1.174 254 Y CB 1.191 39.621 38.460 -0.049 0.000 1.228 254 Y HN -0.046 nan 8.280 nan 0.000 0.473 255 D N 3.321 123.822 120.400 0.168 0.000 2.619 255 D HA 0.200 4.845 4.640 0.008 0.000 0.224 255 D C -0.821 175.557 176.300 0.129 0.000 1.133 255 D CA 0.154 54.245 54.000 0.152 0.000 1.017 255 D CB -0.836 40.037 40.800 0.122 0.000 1.077 255 D HN 0.495 nan 8.370 nan 0.000 0.503 256 I N -1.796 118.889 120.570 0.192 0.000 2.934 256 I HA 0.496 4.671 4.170 0.008 0.000 0.306 256 I C -0.905 175.330 176.117 0.197 0.000 1.110 256 I CA -1.254 60.166 61.300 0.199 0.000 1.019 256 I CB 1.818 39.883 38.000 0.108 0.000 1.227 256 I HN -0.214 nan 8.210 nan 0.000 0.434 257 L N 3.566 124.878 121.223 0.148 0.000 2.357 257 L HA 0.461 4.806 4.340 0.008 0.000 0.273 257 L C -0.595 176.376 176.870 0.169 0.000 1.080 257 L CA -0.771 54.001 54.840 -0.114 0.000 0.803 257 L CB 1.552 43.434 42.059 -0.294 0.000 1.174 257 L HN 0.496 nan 8.230 nan 0.000 0.443 258 L N 4.233 125.698 121.223 0.404 0.000 2.287 258 L HA 0.519 4.864 4.340 0.008 0.000 0.287 258 L C -0.567 176.404 176.870 0.168 0.000 1.022 258 L CA 0.098 55.122 54.840 0.307 0.000 0.814 258 L CB 1.052 43.297 42.059 0.310 0.000 1.217 258 L HN 0.336 nan 8.230 nan 0.000 0.420 259 I N 5.553 126.167 120.570 0.073 0.000 2.330 259 I HA 0.522 4.697 4.170 0.008 0.000 0.289 259 I C 0.164 176.274 176.117 -0.012 0.000 1.001 259 I CA -0.611 60.683 61.300 -0.009 0.000 1.193 259 I CB 1.605 39.559 38.000 -0.077 0.000 1.345 259 I HN 0.766 nan 8.210 nan 0.000 0.461 260 A N 5.019 127.832 122.820 -0.013 0.000 2.269 260 A HA 0.238 4.563 4.320 0.008 0.000 0.302 260 A C -0.285 177.304 177.584 0.008 0.000 1.266 260 A CA -0.439 51.590 52.037 -0.012 0.000 0.894 260 A CB 0.223 19.172 19.000 -0.084 0.000 1.147 260 A HN 0.692 nan 8.150 nan 0.000 0.537 261 D N 2.691 123.132 120.400 0.068 0.000 2.352 261 D HA 0.105 4.750 4.640 0.008 0.000 0.245 261 D C 0.162 176.521 176.300 0.098 0.000 1.224 261 D CA 0.063 54.132 54.000 0.114 0.000 0.879 261 D CB 0.704 41.662 40.800 0.264 0.000 1.057 261 D HN 0.511 nan 8.370 nan 0.000 0.491 262 E N 3.097 123.358 120.200 0.103 0.000 2.451 262 E HA 0.037 4.392 4.350 0.008 0.000 0.194 262 E C 1.700 178.396 176.600 0.159 0.000 1.027 262 E CA -0.102 56.375 56.400 0.128 0.000 0.914 262 E CB 0.857 30.676 29.700 0.197 0.000 1.054 262 E HN 0.353 nan 8.360 nan 0.000 0.461 263 V N 0.801 120.797 119.914 0.136 0.000 2.287 263 V HA -0.261 3.864 4.120 0.008 0.000 0.248 263 V C 2.137 178.296 176.094 0.108 0.000 1.053 263 V CA 1.666 64.056 62.300 0.150 0.000 1.027 263 V CB -0.229 31.672 31.823 0.130 0.000 0.646 263 V HN 0.305 nan 8.190 nan 0.000 0.447 264 I N -1.209 119.355 120.570 -0.011 0.000 2.429 264 I HA -0.149 4.026 4.170 0.008 0.000 0.247 264 I C 2.334 178.460 176.117 0.015 0.000 1.099 264 I CA 0.992 62.249 61.300 -0.073 0.000 1.422 264 I CB -0.321 37.431 38.000 -0.414 0.000 1.112 264 I HN 0.308 nan 8.210 nan 0.000 0.430 265 C N 1.384 120.683 119.300 -0.001 0.000 2.437 265 C HA 0.081 4.545 4.460 0.008 0.000 0.283 265 C C 1.670 176.656 174.990 -0.006 0.000 1.424 265 C CA -0.152 58.868 59.018 0.002 0.000 1.782 265 C CB -1.921 25.816 27.740 -0.006 0.000 1.833 265 C HN 0.490 nan 8.230 nan 0.000 0.532 266 G N -1.457 107.362 108.800 0.031 0.000 2.569 266 G HA2 0.402 4.367 3.960 0.008 0.000 0.249 266 G HA3 0.402 4.367 3.960 0.008 0.000 0.249 266 G C -0.142 174.694 174.900 -0.107 0.000 1.216 266 G CA -0.124 44.877 45.100 -0.166 0.000 0.845 266 G HN 0.450 nan 8.290 nan 0.000 0.568 267 F N -0.688 119.136 119.950 -0.210 0.000 3.040 267 F HA -0.187 4.345 4.527 0.009 0.000 0.298 267 F C 1.686 177.373 175.800 -0.189 0.000 0.948 267 F CA 1.445 59.385 58.000 -0.100 0.000 1.022 267 F CB -1.467 37.556 39.000 0.037 0.000 1.023 267 F HN 1.635 nan 8.300 nan 0.000 0.742 268 G N -1.042 107.611 108.800 -0.245 0.000 2.213 268 G HA2 -0.394 3.571 3.960 0.008 0.000 0.226 268 G HA3 -0.394 3.571 3.960 0.008 0.000 0.226 268 G C 0.915 175.722 174.900 -0.154 0.000 0.992 268 G CA 0.495 45.426 45.100 -0.282 0.000 0.632 268 G HN 0.638 nan 8.290 nan 0.000 0.511 269 R N 1.520 121.970 120.500 -0.084 0.000 2.096 269 R HA -0.004 4.341 4.340 0.008 0.000 0.235 269 R C 2.577 178.851 176.300 -0.043 0.000 1.127 269 R CA 2.840 58.923 56.100 -0.029 0.000 0.968 269 R CB -0.784 29.535 30.300 0.030 0.000 0.861 269 R HN 0.703 nan 8.270 nan 0.000 0.440 270 T N -3.855 110.660 114.554 -0.064 0.000 3.122 270 T HA 0.304 4.659 4.350 0.008 0.000 0.250 270 T C 1.147 175.801 174.700 -0.077 0.000 1.067 270 T CA 0.241 62.307 62.100 -0.056 0.000 0.966 270 T CB 0.377 69.219 68.868 -0.044 0.000 1.002 270 T HN 0.407 nan 8.240 nan 0.000 0.542 271 G N 0.689 109.421 108.800 -0.114 0.000 2.175 271 G HA2 -0.214 3.751 3.960 0.008 0.000 0.244 271 G HA3 -0.214 3.751 3.960 0.008 0.000 0.244 271 G C -0.159 174.641 174.900 -0.167 0.000 0.982 271 G CA -0.095 44.926 45.100 -0.131 0.000 0.641 271 G HN 0.690 nan 8.290 nan 0.000 0.527 272 N N -2.064 116.526 118.700 -0.184 0.000 2.577 272 N HA 0.569 5.314 4.740 0.008 0.000 0.285 272 N C 0.653 175.966 175.510 -0.328 0.000 1.309 272 N CA -0.887 52.042 53.050 -0.202 0.000 0.798 272 N CB 0.692 39.141 38.487 -0.063 0.000 1.463 272 N HN 0.068 nan 8.380 nan 0.000 0.518 273 W N 0.009 121.155 121.300 -0.257 0.000 2.350 273 W HA 0.053 4.719 4.660 0.010 0.000 0.289 273 W C -0.228 175.590 176.519 -1.168 0.000 1.215 273 W CA 0.766 57.732 57.345 -0.631 0.000 1.236 273 W CB 0.016 29.152 29.460 -0.540 0.000 1.130 273 W HN 0.262 nan 8.180 nan 0.000 0.541 274 F N -1.638 118.305 119.950 -0.012 0.000 2.591 274 F HA 0.412 4.943 4.527 0.007 0.000 0.309 274 F C 1.093 176.831 175.800 -0.104 0.000 1.098 274 F CA -0.898 57.037 58.000 -0.109 0.000 0.937 274 F CB 0.750 39.674 39.000 -0.126 0.000 1.250 274 F HN -0.242 nan 8.300 nan 0.000 0.447 275 G N 0.375 109.210 108.800 0.058 0.000 2.450 275 G HA2 -0.204 3.761 3.960 0.008 0.000 0.220 275 G HA3 -0.204 3.761 3.960 0.008 0.000 0.220 275 G C 1.412 176.252 174.900 -0.099 0.000 1.130 275 G CA 1.637 46.715 45.100 -0.036 0.000 0.760 275 G HN 0.655 nan 8.290 nan 0.000 0.557 276 T N 0.767 115.281 114.554 -0.067 0.000 2.665 276 T HA -0.172 4.183 4.350 0.008 0.000 0.268 276 T C 2.513 177.157 174.700 -0.093 0.000 1.035 276 T CA 1.850 63.866 62.100 -0.141 0.000 1.151 276 T CB -0.184 68.613 68.868 -0.119 0.000 0.862 276 T HN 0.458 nan 8.240 nan 0.000 0.438 277 Q N 0.129 119.932 119.800 0.005 0.000 2.016 277 Q HA -0.076 4.269 4.340 0.008 0.000 0.200 277 Q C 2.714 178.703 176.000 -0.019 0.000 0.978 277 Q CA 1.712 57.524 55.803 0.015 0.000 0.833 277 Q CB -0.454 28.332 28.738 0.080 0.000 0.895 277 Q HN 0.420 nan 8.270 nan 0.000 0.427 278 T N 0.945 115.481 114.554 -0.029 0.000 2.665 278 T HA -0.153 4.202 4.350 0.008 0.000 0.268 278 T C 1.541 176.212 174.700 -0.048 0.000 1.035 278 T CA 1.286 63.364 62.100 -0.036 0.000 1.151 278 T CB -0.076 68.769 68.868 -0.039 0.000 0.862 278 T HN 0.181 nan 8.240 nan 0.000 0.438 279 M N 0.270 119.797 119.600 -0.121 0.000 2.618 279 M HA 0.265 4.750 4.480 0.008 0.000 0.240 279 M C 1.773 178.018 176.300 -0.091 0.000 1.123 279 M CA 0.336 55.547 55.300 -0.150 0.000 1.060 279 M CB -1.246 31.064 32.600 -0.485 0.000 1.535 279 M HN 0.492 nan 8.290 nan 0.000 0.507 280 G N 2.823 111.578 108.800 -0.076 0.000 2.246 280 G HA2 -0.239 3.726 3.960 0.008 0.000 0.273 280 G HA3 -0.239 3.726 3.960 0.008 0.000 0.273 280 G C 0.162 175.034 174.900 -0.046 0.000 1.055 280 G CA 0.622 45.700 45.100 -0.037 0.000 0.851 280 G HN 0.627 nan 8.290 nan 0.000 0.500 281 I N -3.868 116.634 120.570 -0.114 0.000 2.924 281 I HA 0.878 5.053 4.170 0.008 0.000 0.316 281 I C 0.428 176.491 176.117 -0.090 0.000 1.014 281 I CA -1.749 59.497 61.300 -0.090 0.000 1.106 281 I CB 1.422 39.316 38.000 -0.176 0.000 1.311 281 I HN -0.066 nan 8.210 nan 0.000 0.502 282 R N 2.344 122.802 120.500 -0.070 0.000 2.651 282 R HA 0.409 4.754 4.340 0.008 0.000 0.282 282 R C -2.572 173.624 176.300 -0.174 0.000 1.565 282 R CA -1.484 54.545 56.100 -0.118 0.000 1.661 282 R CB 0.606 30.843 30.300 -0.106 0.000 1.189 282 R HN 0.537 nan 8.270 nan 0.000 0.621 283 P HA 0.086 nan 4.420 nan 0.000 0.274 283 P C -0.155 177.000 177.300 -0.242 0.000 1.237 283 P CA -0.241 62.777 63.100 -0.137 0.000 0.793 283 P CB 1.090 32.733 31.700 -0.095 0.000 0.977 284 H N 0.061 119.085 119.070 -0.077 0.000 2.482 284 H HA 0.289 4.850 4.556 0.008 0.000 0.286 284 H C 0.525 175.773 175.328 -0.134 0.000 1.017 284 H CA 0.843 56.819 56.048 -0.121 0.000 1.322 284 H CB 0.011 29.672 29.762 -0.169 0.000 1.426 284 H HN 0.255 nan 8.280 nan 0.000 0.546 285 I N 0.596 121.160 120.570 -0.009 0.000 2.656 285 I HA 0.262 4.437 4.170 0.008 0.000 0.292 285 I C -1.021 175.051 176.117 -0.074 0.000 1.144 285 I CA -0.567 60.699 61.300 -0.056 0.000 1.038 285 I CB 2.603 40.567 38.000 -0.060 0.000 1.244 285 I HN -0.052 nan 8.210 nan 0.000 0.420 286 M N 3.919 123.459 119.600 -0.099 0.000 2.383 286 M HA 0.438 4.923 4.480 0.008 0.000 0.325 286 M C -0.748 175.542 176.300 -0.017 0.000 1.092 286 M CA -0.575 54.666 55.300 -0.099 0.000 0.961 286 M CB 2.329 34.783 32.600 -0.243 0.000 1.672 286 M HN 0.473 nan 8.290 nan 0.000 0.438 287 T N 4.567 119.143 114.554 0.037 0.000 2.806 287 T HA 0.703 5.058 4.350 0.008 0.000 0.290 287 T C -0.190 174.613 174.700 0.172 0.000 0.966 287 T CA -0.567 61.594 62.100 0.102 0.000 1.060 287 T CB 0.490 69.421 68.868 0.104 0.000 0.927 287 T HN 0.623 nan 8.240 nan 0.000 0.485 288 I N -0.487 120.225 120.570 0.236 0.000 2.828 288 I HA 0.980 5.155 4.170 0.008 0.000 0.302 288 I C -0.338 175.968 176.117 0.317 0.000 1.101 288 I CA -1.268 60.251 61.300 0.366 0.000 1.031 288 I CB 1.990 40.323 38.000 0.556 0.000 1.231 288 I HN 0.783 nan 8.210 nan 0.000 0.427 289 A N 3.298 126.310 122.820 0.321 0.000 4.989 289 A HA 0.480 4.805 4.320 0.008 0.000 0.238 289 A C 0.209 177.908 177.584 0.192 0.000 0.962 289 A CA -0.064 52.105 52.037 0.220 0.000 0.608 289 A CB -0.036 19.076 19.000 0.185 0.000 1.893 289 A HN 0.867 nan 8.150 nan 0.000 0.923 290 K N -1.766 118.724 120.400 0.151 0.000 3.138 290 K HA -0.341 3.984 4.320 0.008 0.000 0.187 290 K C 1.497 178.158 176.600 0.102 0.000 0.767 290 K CA 2.259 58.632 56.287 0.143 0.000 0.521 290 K CB -1.645 30.962 32.500 0.178 0.000 0.757 290 K HN 1.530 nan 8.250 nan 0.000 0.792 291 G N 1.142 110.034 108.800 0.153 0.000 2.479 291 G HA2 -0.214 3.751 3.960 0.008 0.000 0.220 291 G HA3 -0.214 3.751 3.960 0.008 0.000 0.220 291 G C 1.282 176.055 174.900 -0.212 0.000 1.115 291 G CA 1.114 46.278 45.100 0.107 0.000 0.757 291 G HN 0.298 nan 8.290 nan 0.000 0.560 292 L N 2.111 123.043 121.223 -0.485 0.000 2.034 292 L HA -0.149 4.196 4.340 0.008 0.000 0.217 292 L C 2.537 179.140 176.870 -0.445 0.000 1.077 292 L CA 2.849 57.121 54.840 -0.947 0.000 0.769 292 L CB -0.519 41.306 42.059 -0.390 0.000 0.890 292 L HN 0.321 nan 8.230 nan 0.000 0.435 293 S N -3.387 112.201 115.700 -0.186 0.000 2.663 293 S HA 0.226 4.700 4.470 0.008 0.000 0.243 293 S C 0.787 175.384 174.600 -0.005 0.000 1.009 293 S CA 0.231 58.379 58.200 -0.087 0.000 0.988 293 S CB -0.016 63.174 63.200 -0.017 0.000 0.896 293 S HN 0.367 nan 8.310 nan 0.000 0.502 294 S N 0.787 116.484 115.700 -0.006 0.000 3.473 294 S HA -0.174 4.301 4.470 0.008 0.000 0.339 294 S C 1.415 176.128 174.600 0.187 0.000 1.148 294 S CA 1.102 59.352 58.200 0.083 0.000 0.969 294 S CB -1.835 61.399 63.200 0.056 0.000 0.936 294 S HN 2.054 nan 8.310 nan 0.000 0.530 295 G N -1.099 107.778 108.800 0.128 0.000 2.189 295 G HA2 -0.423 3.542 3.960 0.008 0.000 0.267 295 G HA3 -0.423 3.542 3.960 0.008 0.000 0.267 295 G C 0.414 175.385 174.900 0.118 0.000 0.975 295 G CA 0.751 45.912 45.100 0.101 0.000 0.644 295 G HN 0.721 nan 8.290 nan 0.000 0.537 296 Y N 0.753 121.038 120.300 -0.025 0.000 2.497 296 Y HA 0.355 4.909 4.550 0.007 0.000 0.292 296 Y C 1.768 177.653 175.900 -0.026 0.000 1.137 296 Y CA 1.022 59.113 58.100 -0.015 0.000 1.285 296 Y CB 0.273 38.721 38.460 -0.019 0.000 0.991 296 Y HN 0.713 nan 8.280 nan 0.000 0.556 297 A N -0.330 122.555 122.820 0.108 0.000 2.547 297 A HA 0.538 4.863 4.320 0.008 0.000 0.297 297 A C -2.960 174.625 177.584 0.002 0.000 1.056 297 A CA -1.686 50.363 52.037 0.020 0.000 0.688 297 A CB 0.855 19.857 19.000 0.002 0.000 1.282 297 A HN -0.203 nan 8.150 nan 0.000 0.400 298 P HA 0.569 nan 4.420 nan 0.000 0.276 298 P C -0.716 176.590 177.300 0.009 0.000 1.253 298 P CA 0.309 63.403 63.100 -0.010 0.000 0.766 298 P CB 0.519 32.195 31.700 -0.039 0.000 0.845 299 I N 1.818 122.423 120.570 0.058 0.000 2.771 299 I HA 0.672 4.847 4.170 0.008 0.000 0.291 299 I C -0.889 175.318 176.117 0.150 0.000 1.527 299 I CA -0.311 61.050 61.300 0.103 0.000 1.024 299 I CB 1.875 39.919 38.000 0.073 0.000 1.388 299 I HN 0.545 nan 8.210 nan 0.000 0.447 300 G N 3.211 112.143 108.800 0.220 0.000 2.827 300 G HA2 0.909 4.874 3.960 0.008 0.000 0.296 300 G HA3 0.909 4.874 3.960 0.008 0.000 0.296 300 G C -0.885 174.225 174.900 0.350 0.000 1.362 300 G CA -0.370 44.883 45.100 0.254 0.000 0.809 300 G HN 1.187 nan 8.290 nan 0.000 0.522 301 G N -1.701 107.285 108.800 0.311 0.000 2.321 301 G HA2 0.552 4.516 3.960 0.008 0.000 0.296 301 G HA3 0.552 4.516 3.960 0.008 0.000 0.296 301 G C -1.469 173.563 174.900 0.220 0.000 1.287 301 G CA 0.142 45.422 45.100 0.299 0.000 0.846 301 G HN 1.258 nan 8.290 nan 0.000 0.508 302 S N -0.331 115.469 115.700 0.168 0.000 2.594 302 S HA 0.653 5.127 4.470 0.008 0.000 0.296 302 S C -0.464 174.159 174.600 0.039 0.000 1.124 302 S CA -0.458 57.804 58.200 0.103 0.000 1.011 302 S CB 1.290 64.550 63.200 0.100 0.000 1.016 302 S HN 0.598 nan 8.310 nan 0.000 0.485 303 I N 2.766 123.331 120.570 -0.008 0.000 2.336 303 I HA 0.545 4.720 4.170 0.008 0.000 0.292 303 I C -0.788 175.295 176.117 -0.056 0.000 0.991 303 I CA -0.871 60.398 61.300 -0.051 0.000 1.227 303 I CB 1.461 39.392 38.000 -0.117 0.000 1.366 303 I HN 0.237 nan 8.210 nan 0.000 0.466 304 V N 4.905 124.810 119.914 -0.015 0.000 2.656 304 V HA 0.274 4.399 4.120 0.008 0.000 0.307 304 V C 0.173 176.290 176.094 0.039 0.000 1.051 304 V CA -0.942 61.352 62.300 -0.009 0.000 0.893 304 V CB 1.806 33.624 31.823 -0.009 0.000 0.999 304 V HN 1.023 nan 8.190 nan 0.000 0.426 305 C N 1.602 120.903 119.300 0.002 0.000 2.700 305 C HA 0.286 4.750 4.460 0.008 0.000 0.397 305 C C 1.733 176.769 174.990 0.076 0.000 1.301 305 C CA -0.133 58.900 59.018 0.025 0.000 2.219 305 C CB 0.124 27.855 27.740 -0.016 0.000 2.699 305 C HN 0.897 nan 8.230 nan 0.000 0.669 306 D N 0.290 120.754 120.400 0.106 0.000 2.106 306 D HA -0.152 4.493 4.640 0.008 0.000 0.191 306 D C 2.064 178.381 176.300 0.028 0.000 0.997 306 D CA 1.962 56.034 54.000 0.121 0.000 0.834 306 D CB -0.305 40.553 40.800 0.097 0.000 0.956 306 D HN 0.857 nan 8.370 nan 0.000 0.448 307 E N 0.547 120.767 120.200 0.033 0.000 2.072 307 E HA -0.096 4.258 4.350 0.008 0.000 0.190 307 E C 2.269 178.913 176.600 0.073 0.000 0.982 307 E CA 0.377 56.812 56.400 0.058 0.000 0.803 307 E CB 0.049 29.785 29.700 0.060 0.000 0.755 307 E HN 0.066 nan 8.360 nan 0.000 0.453 308 V N 1.629 121.527 119.914 -0.025 0.000 2.287 308 V HA -0.282 3.842 4.120 0.008 0.000 0.248 308 V C 2.641 178.680 176.094 -0.092 0.000 1.053 308 V CA 1.909 64.139 62.300 -0.116 0.000 1.027 308 V CB -1.002 30.615 31.823 -0.343 0.000 0.646 308 V HN 0.335 nan 8.190 nan 0.000 0.447 309 A N -0.396 122.342 122.820 -0.137 0.000 1.908 309 A HA -0.322 4.003 4.320 0.008 0.000 0.218 309 A C 2.120 179.581 177.584 -0.204 0.000 1.181 309 A CA 2.440 54.331 52.037 -0.243 0.000 0.627 309 A CB -0.873 17.809 19.000 -0.531 0.000 0.818 309 A HN 0.772 nan 8.150 nan 0.000 0.445 310 H N -0.401 118.540 119.070 -0.213 0.000 2.321 310 H HA -0.076 4.485 4.556 0.008 0.000 0.300 310 H C 1.812 177.067 175.328 -0.122 0.000 1.087 310 H CA 2.068 58.025 56.048 -0.152 0.000 1.319 310 H CB -0.246 29.456 29.762 -0.101 0.000 1.379 310 H HN 0.120 nan 8.280 nan 0.000 0.501 311 V N 0.556 120.377 119.914 -0.155 0.000 2.295 311 V HA -0.224 3.901 4.120 0.008 0.000 0.246 311 V C 2.419 178.350 176.094 -0.272 0.000 1.049 311 V CA 1.522 63.672 62.300 -0.250 0.000 1.024 311 V CB -0.503 31.181 31.823 -0.231 0.000 0.648 311 V HN 0.432 nan 8.190 nan 0.000 0.447 312 I N 1.406 121.839 120.570 -0.228 0.000 2.264 312 I HA -0.162 4.013 4.170 0.008 0.000 0.248 312 I C 2.520 178.508 176.117 -0.214 0.000 1.111 312 I CA 1.913 63.038 61.300 -0.290 0.000 1.382 312 I CB -1.838 35.916 38.000 -0.410 0.000 1.060 312 I HN 0.381 nan 8.210 nan 0.000 0.418 313 G N 0.055 108.732 108.800 -0.205 0.000 2.598 313 G HA2 -0.189 3.776 3.960 0.008 0.000 0.215 313 G HA3 -0.189 3.776 3.960 0.008 0.000 0.215 313 G C 1.725 176.529 174.900 -0.161 0.000 1.131 313 G CA 0.100 45.111 45.100 -0.150 0.000 0.785 313 G HN 0.352 nan 8.290 nan 0.000 0.539 314 K N -0.199 120.064 120.400 -0.228 0.000 2.288 314 K HA 0.067 4.392 4.320 0.008 0.000 0.201 314 K C 0.026 176.561 176.600 -0.109 0.000 1.048 314 K CA 0.641 56.806 56.287 -0.204 0.000 0.956 314 K CB 0.196 32.541 32.500 -0.258 0.000 0.746 314 K HN 0.264 nan 8.250 nan 0.000 0.461 315 D N -0.274 120.080 120.400 -0.078 0.000 2.610 315 D HA 0.102 4.747 4.640 0.008 0.000 0.271 315 D C -0.836 175.475 176.300 0.019 0.000 1.174 315 D CA -0.543 53.440 54.000 -0.029 0.000 0.949 315 D CB 1.282 42.065 40.800 -0.029 0.000 1.430 315 D HN -0.143 nan 8.370 nan 0.000 0.467 316 E N 0.776 120.999 120.200 0.039 0.000 2.493 316 E HA -0.004 4.351 4.350 0.008 0.000 0.255 316 E C -0.529 176.160 176.600 0.147 0.000 0.999 316 E CA 0.447 56.890 56.400 0.072 0.000 0.934 316 E CB 0.086 29.814 29.700 0.045 0.000 0.940 316 E HN 0.201 nan 8.360 nan 0.000 0.473 317 F N 4.917 124.859 119.950 -0.014 0.000 2.313 317 F HA 0.198 4.730 4.527 0.008 0.000 0.369 317 F C 0.059 175.864 175.800 0.009 0.000 1.109 317 F CA -1.384 56.605 58.000 -0.018 0.000 1.132 317 F CB 0.239 39.223 39.000 -0.027 0.000 1.291 317 F HN 0.118 nan 8.300 nan 0.000 0.496 318 N N 5.389 123.978 118.700 -0.186 0.000 3.050 318 N HA 0.045 4.790 4.740 0.008 0.000 0.289 318 N C -1.032 174.270 175.510 -0.346 0.000 1.209 318 N CA 0.191 53.122 53.050 -0.198 0.000 1.154 318 N CB -0.447 37.993 38.487 -0.079 0.000 1.444 318 N HN 0.730 nan 8.380 nan 0.000 0.529 319 H N -1.040 117.644 119.070 -0.644 0.000 3.079 319 H HA 0.632 5.193 4.556 0.008 0.000 0.356 319 H C -0.368 174.669 175.328 -0.484 0.000 1.221 319 H CA -0.284 55.325 56.048 -0.731 0.000 1.185 319 H CB 1.437 30.387 29.762 -1.352 0.000 1.882 319 H HN 0.409 nan 8.280 nan 0.000 0.543 320 G N 1.297 109.385 108.800 -1.187 0.000 2.353 320 G HA2 0.243 4.208 3.960 0.008 0.000 0.308 320 G HA3 0.243 4.208 3.960 0.008 0.000 0.308 320 G C -2.395 172.109 174.900 -0.659 0.000 1.418 320 G CA -0.908 43.728 45.100 -0.774 0.000 0.966 320 G HN 0.446 nan 8.290 nan 0.000 0.638 321 Y N -0.500 119.881 120.300 0.135 0.000 2.485 321 Y HA 0.583 5.138 4.550 0.008 0.000 0.345 321 Y C 1.861 177.951 175.900 0.317 0.000 0.998 321 Y CA -0.020 58.200 58.100 0.199 0.000 1.059 321 Y CB 2.051 40.602 38.460 0.152 0.000 1.234 321 Y HN 0.576 nan 8.280 nan 0.000 0.461 322 T N 0.342 115.002 114.554 0.176 0.000 2.653 322 T HA -0.227 4.128 4.350 0.008 0.000 0.268 322 T C 0.852 175.595 174.700 0.070 0.000 1.035 322 T CA 2.025 64.020 62.100 -0.174 0.000 1.154 322 T CB -0.371 68.102 68.868 -0.659 0.000 0.862 322 T HN 0.538 nan 8.240 nan 0.000 0.441 323 Y N 1.404 121.885 120.300 0.300 0.000 2.470 323 Y HA 0.403 4.958 4.550 0.008 0.000 0.284 323 Y C 1.226 177.335 175.900 0.348 0.000 1.188 323 Y CA -1.279 57.028 58.100 0.346 0.000 1.269 323 Y CB -0.683 37.912 38.460 0.225 0.000 1.094 323 Y HN -0.016 nan 8.280 nan 0.000 0.518 324 S N 0.661 116.656 115.700 0.491 0.000 2.555 324 S HA 0.277 4.751 4.470 0.008 0.000 0.293 324 S C 1.342 176.118 174.600 0.294 0.000 1.248 324 S CA 0.942 59.386 58.200 0.407 0.000 1.096 324 S CB -0.254 63.127 63.200 0.301 0.000 0.881 324 S HN 0.827 nan 8.310 nan 0.000 0.498 325 G N 2.234 111.135 108.800 0.169 0.000 2.148 325 G HA2 -0.269 3.696 3.960 0.008 0.000 0.254 325 G HA3 -0.269 3.696 3.960 0.008 0.000 0.254 325 G C 0.126 175.060 174.900 0.057 0.000 0.981 325 G CA 0.140 45.130 45.100 -0.182 0.000 0.670 325 G HN 0.920 nan 8.290 nan 0.000 0.528 326 H N 1.899 121.029 119.070 0.099 0.000 3.219 326 H HA -0.013 4.548 4.556 0.008 0.000 0.283 326 H C -0.522 174.762 175.328 -0.073 0.000 0.894 326 H CA 0.399 56.509 56.048 0.104 0.000 1.406 326 H CB 1.119 30.940 29.762 0.098 0.000 1.349 326 H HN 0.252 nan 8.280 nan 0.000 0.550 327 P HA -0.120 nan 4.420 nan 0.000 0.221 327 P C 1.631 178.848 177.300 -0.138 0.000 1.150 327 P CA 0.506 63.292 63.100 -0.524 0.000 0.800 327 P CB 0.413 31.487 31.700 -1.042 0.000 0.787 328 V N 1.080 121.049 119.914 0.092 0.000 2.283 328 V HA -0.168 3.957 4.120 0.008 0.000 0.243 328 V C 2.847 178.994 176.094 0.088 0.000 1.039 328 V CA 2.142 64.514 62.300 0.121 0.000 1.016 328 V CB -1.754 30.181 31.823 0.185 0.000 0.650 328 V HN 0.080 nan 8.190 nan 0.000 0.449 329 A N 0.186 123.087 122.820 0.136 0.000 1.908 329 A HA -0.182 4.143 4.320 0.008 0.000 0.218 329 A C 2.392 179.972 177.584 -0.006 0.000 1.181 329 A CA 2.359 54.405 52.037 0.016 0.000 0.627 329 A CB -0.795 18.192 19.000 -0.020 0.000 0.818 329 A HN 0.587 nan 8.150 nan 0.000 0.445 330 A N -0.396 122.410 122.820 -0.024 0.000 1.930 330 A HA 0.234 4.559 4.320 0.008 0.000 0.217 330 A C 2.493 180.050 177.584 -0.045 0.000 1.175 330 A CA 1.882 53.867 52.037 -0.086 0.000 0.627 330 A CB -0.940 17.971 19.000 -0.149 0.000 0.815 330 A HN 1.036 nan 8.150 nan 0.000 0.443 331 A N -0.491 122.310 122.820 -0.032 0.000 1.902 331 A HA -0.002 4.323 4.320 0.008 0.000 0.217 331 A C 2.226 179.793 177.584 -0.028 0.000 1.181 331 A CA 1.767 53.789 52.037 -0.025 0.000 0.623 331 A CB -0.941 18.043 19.000 -0.026 0.000 0.818 331 A HN 0.362 nan 8.150 nan 0.000 0.443 332 V N -0.118 119.781 119.914 -0.025 0.000 2.295 332 V HA -0.264 3.861 4.120 0.008 0.000 0.246 332 V C 3.073 179.131 176.094 -0.061 0.000 1.049 332 V CA 2.009 64.287 62.300 -0.036 0.000 1.024 332 V CB -1.229 30.590 31.823 -0.007 0.000 0.648 332 V HN 0.626 nan 8.190 nan 0.000 0.447 333 A N -0.355 122.434 122.820 -0.051 0.000 1.877 333 A HA -0.221 4.104 4.320 0.008 0.000 0.216 333 A C 2.178 179.725 177.584 -0.062 0.000 1.186 333 A CA 2.145 54.139 52.037 -0.071 0.000 0.620 333 A CB -0.658 18.309 19.000 -0.055 0.000 0.822 333 A HN 0.443 nan 8.150 nan 0.000 0.443 334 L N -0.165 121.037 121.223 -0.034 0.000 2.042 334 L HA -0.199 4.146 4.340 0.008 0.000 0.210 334 L C 2.370 179.224 176.870 -0.026 0.000 1.076 334 L CA 2.740 57.569 54.840 -0.018 0.000 0.749 334 L CB -0.476 41.580 42.059 -0.005 0.000 0.893 334 L HN 0.539 nan 8.230 nan 0.000 0.432 335 E N -0.546 119.628 120.200 -0.044 0.000 2.106 335 E HA -0.248 4.106 4.350 0.008 0.000 0.192 335 E C 1.986 178.540 176.600 -0.076 0.000 0.984 335 E CA 1.439 57.806 56.400 -0.055 0.000 0.806 335 E CB -0.337 29.322 29.700 -0.068 0.000 0.750 335 E HN 0.605 nan 8.360 nan 0.000 0.458 336 N N -0.215 118.420 118.700 -0.109 0.000 2.043 336 N HA -0.159 4.586 4.740 0.008 0.000 0.193 336 N C 1.722 177.216 175.510 -0.028 0.000 1.037 336 N CA 1.910 54.885 53.050 -0.124 0.000 0.851 336 N CB -0.262 38.127 38.487 -0.162 0.000 1.027 336 N HN 0.241 nan 8.380 nan 0.000 0.422 337 L N -0.026 121.200 121.223 0.005 0.000 2.083 337 L HA -0.127 4.218 4.340 0.008 0.000 0.209 337 L C 2.748 179.696 176.870 0.129 0.000 1.083 337 L CA 1.056 55.964 54.840 0.113 0.000 0.752 337 L CB -0.544 41.546 42.059 0.051 0.000 0.899 337 L HN 0.305 nan 8.230 nan 0.000 0.433 338 R N 0.854 121.385 120.500 0.052 0.000 2.083 338 R HA -0.188 4.157 4.340 0.008 0.000 0.237 338 R C 2.313 178.647 176.300 0.058 0.000 1.137 338 R CA 1.698 57.827 56.100 0.049 0.000 0.951 338 R CB -0.261 30.048 30.300 0.014 0.000 0.851 338 R HN 0.308 nan 8.270 nan 0.000 0.434 339 I N 0.823 121.408 120.570 0.025 0.000 2.226 339 I HA -0.314 3.861 4.170 0.008 0.000 0.245 339 I C 2.326 178.466 176.117 0.038 0.000 1.100 339 I CA 1.134 62.439 61.300 0.008 0.000 1.374 339 I CB -0.217 37.757 38.000 -0.043 0.000 1.057 339 I HN 0.250 nan 8.210 nan 0.000 0.413 340 L N 0.354 121.626 121.223 0.081 0.000 2.012 340 L HA -0.259 4.086 4.340 0.008 0.000 0.210 340 L C 2.615 179.563 176.870 0.131 0.000 1.073 340 L CA 1.671 56.563 54.840 0.087 0.000 0.748 340 L CB -0.456 41.704 42.059 0.169 0.000 0.891 340 L HN 0.308 nan 8.230 nan 0.000 0.431 341 E N 0.087 120.461 120.200 0.290 0.000 2.033 341 E HA -0.204 4.150 4.350 0.008 0.000 0.189 341 E C 1.993 178.684 176.600 0.152 0.000 0.979 341 E CA 1.081 57.670 56.400 0.314 0.000 0.802 341 E CB 0.102 30.008 29.700 0.343 0.000 0.763 341 E HN 0.438 nan 8.360 nan 0.000 0.449 342 E N 0.053 120.314 120.200 0.102 0.000 2.285 342 E HA -0.095 4.260 4.350 0.008 0.000 0.194 342 E C 1.081 177.703 176.600 0.037 0.000 0.997 342 E CA 0.606 57.042 56.400 0.060 0.000 0.845 342 E CB 0.211 29.937 29.700 0.042 0.000 0.782 342 E HN 0.311 nan 8.360 nan 0.000 0.491 343 E N 0.850 121.066 120.200 0.027 0.000 2.437 343 E HA 0.058 4.412 4.350 0.008 0.000 0.189 343 E C -0.408 176.194 176.600 0.004 0.000 1.054 343 E CA -0.220 56.183 56.400 0.005 0.000 0.874 343 E CB 0.120 29.811 29.700 -0.015 0.000 1.011 343 E HN 0.156 nan 8.360 nan 0.000 0.474 344 N N 0.942 119.655 118.700 0.020 0.000 2.714 344 N HA -0.231 4.514 4.740 0.008 0.000 0.252 344 N C 0.627 176.131 175.510 -0.009 0.000 1.014 344 N CA 0.529 53.586 53.050 0.011 0.000 0.735 344 N CB -1.277 37.222 38.487 0.019 0.000 0.924 344 N HN 0.391 nan 8.380 nan 0.000 0.540 345 I N -0.356 120.193 120.570 -0.035 0.000 2.361 345 I HA -0.245 3.929 4.170 0.008 0.000 0.251 345 I C 2.128 178.207 176.117 -0.063 0.000 1.133 345 I CA 0.851 62.131 61.300 -0.032 0.000 1.413 345 I CB -0.010 37.956 38.000 -0.056 0.000 1.073 345 I HN 0.145 nan 8.210 nan 0.000 0.424 346 L N 0.347 121.457 121.223 -0.188 0.000 2.131 346 L HA -0.228 4.117 4.340 0.008 0.000 0.210 346 L C 2.011 178.801 176.870 -0.134 0.000 1.092 346 L CA 1.762 56.454 54.840 -0.247 0.000 0.759 346 L CB -0.836 40.952 42.059 -0.451 0.000 0.903 346 L HN 0.214 nan 8.230 nan 0.000 0.435 347 D N -1.872 118.485 120.400 -0.072 0.000 2.117 347 D HA -0.224 4.421 4.640 0.008 0.000 0.197 347 D C 2.055 178.347 176.300 -0.014 0.000 0.987 347 D CA 1.297 55.277 54.000 -0.034 0.000 0.829 347 D CB -0.133 40.665 40.800 -0.005 0.000 0.961 347 D HN 0.444 nan 8.370 nan 0.000 0.460 348 H N 0.876 119.908 119.070 -0.064 0.000 2.319 348 H HA -0.103 4.460 4.556 0.011 0.000 0.299 348 H C 1.948 177.244 175.328 -0.052 0.000 1.092 348 H CA 1.789 57.805 56.048 -0.052 0.000 1.302 348 H CB -0.325 29.406 29.762 -0.052 0.000 1.373 348 H HN -0.093 nan 8.280 nan 0.000 0.497 349 V N 0.908 120.726 119.914 -0.159 0.000 2.233 349 V HA -0.271 3.854 4.120 0.008 0.000 0.247 349 V C 2.643 178.637 176.094 -0.166 0.000 1.050 349 V CA 2.421 64.606 62.300 -0.192 0.000 1.010 349 V CB -0.512 31.238 31.823 -0.120 0.000 0.637 349 V HN 0.425 nan 8.190 nan 0.000 0.444 350 R N 0.182 120.608 120.500 -0.124 0.000 2.081 350 R HA -0.112 4.233 4.340 0.008 0.000 0.235 350 R C 2.064 178.318 176.300 -0.077 0.000 1.131 350 R CA 1.683 57.730 56.100 -0.090 0.000 0.960 350 R CB -0.318 29.937 30.300 -0.075 0.000 0.856 350 R HN 0.538 nan 8.270 nan 0.000 0.436 351 N N -0.793 117.857 118.700 -0.084 0.000 2.409 351 N HA -0.007 4.738 4.740 0.008 0.000 0.174 351 N C 1.420 176.886 175.510 -0.074 0.000 1.037 351 N CA 0.698 53.713 53.050 -0.059 0.000 0.898 351 N CB 0.562 39.027 38.487 -0.037 0.000 1.010 351 N HN 0.013 nan 8.380 nan 0.000 0.445 352 V N 0.025 119.845 119.914 -0.156 0.000 3.264 352 V HA 0.290 4.415 4.120 0.008 0.000 0.217 352 V C 2.047 178.029 176.094 -0.188 0.000 1.236 352 V CA 0.862 63.056 62.300 -0.176 0.000 1.287 352 V CB -0.778 30.925 31.823 -0.200 0.000 1.241 352 V HN 0.119 nan 8.190 nan 0.000 0.518 353 A N 0.399 122.986 122.820 -0.389 0.000 1.873 353 A HA -0.033 4.292 4.320 0.008 0.000 0.215 353 A C 2.299 179.855 177.584 -0.046 0.000 1.186 353 A CA 2.355 54.266 52.037 -0.209 0.000 0.616 353 A CB -0.899 17.930 19.000 -0.286 0.000 0.823 353 A HN 0.617 nan 8.150 nan 0.000 0.442 354 A N 0.099 122.869 122.820 -0.083 0.000 1.877 354 A HA 0.002 4.326 4.320 0.008 0.000 0.216 354 A C 0.241 177.831 177.584 0.009 0.000 1.186 354 A CA 1.816 53.833 52.037 -0.033 0.000 0.620 354 A CB -1.649 17.318 19.000 -0.055 0.000 0.822 354 A HN 0.451 nan 8.150 nan 0.000 0.443 355 P HA -0.132 nan 4.420 nan 0.000 0.217 355 P C 1.340 178.676 177.300 0.060 0.000 1.150 355 P CA 0.995 64.112 63.100 0.029 0.000 0.832 355 P CB -0.133 31.581 31.700 0.024 0.000 0.787 356 Y N 0.196 120.475 120.300 -0.036 0.000 2.163 356 Y HA -0.153 4.405 4.550 0.013 0.000 0.288 356 Y C 2.132 178.028 175.900 -0.007 0.000 1.136 356 Y CA 1.147 59.230 58.100 -0.028 0.000 1.147 356 Y CB -0.979 37.464 38.460 -0.029 0.000 0.987 356 Y HN -0.224 nan 8.280 nan 0.000 0.509 357 L N 1.171 122.487 121.223 0.155 0.000 2.042 357 L HA -0.202 4.142 4.340 0.008 0.000 0.210 357 L C 2.412 179.362 176.870 0.135 0.000 1.076 357 L CA 2.150 57.089 54.840 0.166 0.000 0.749 357 L CB -0.993 41.160 42.059 0.156 0.000 0.893 357 L HN 0.252 nan 8.230 nan 0.000 0.432 358 K N -0.569 119.877 120.400 0.076 0.000 2.026 358 K HA -0.259 4.066 4.320 0.008 0.000 0.208 358 K C 2.142 178.776 176.600 0.057 0.000 1.048 358 K CA 1.817 58.160 56.287 0.094 0.000 0.929 358 K CB -0.273 32.258 32.500 0.050 0.000 0.713 358 K HN 0.525 nan 8.250 nan 0.000 0.439 359 E N 0.655 120.821 120.200 -0.056 0.000 2.038 359 E HA -0.226 4.128 4.350 0.008 0.000 0.195 359 E C 1.815 178.298 176.600 -0.194 0.000 1.000 359 E CA 1.553 57.872 56.400 -0.135 0.000 0.803 359 E CB 0.129 29.697 29.700 -0.220 0.000 0.750 359 E HN 0.268 nan 8.360 nan 0.000 0.448 360 K N -0.030 120.159 120.400 -0.351 0.000 2.103 360 K HA -0.146 4.179 4.320 0.008 0.000 0.204 360 K C 2.051 178.512 176.600 -0.231 0.000 1.052 360 K CA 0.930 56.867 56.287 -0.584 0.000 0.945 360 K CB -0.387 31.327 32.500 -1.310 0.000 0.722 360 K HN 0.445 nan 8.250 nan 0.000 0.443 361 W N 2.613 123.912 121.300 -0.003 0.000 2.379 361 W HA -0.162 4.497 4.660 -0.001 0.000 0.307 361 W C 1.282 177.862 176.519 0.102 0.000 1.200 361 W CA 1.464 58.963 57.345 0.257 0.000 1.297 361 W CB 0.088 29.675 29.460 0.212 0.000 1.140 361 W HN 0.145 nan 8.180 nan 0.000 0.507 362 E N 0.110 120.396 120.200 0.144 0.000 2.208 362 E HA -0.112 4.242 4.350 0.008 0.000 0.193 362 E C 2.166 178.739 176.600 -0.045 0.000 0.988 362 E CA 0.876 57.303 56.400 0.045 0.000 0.828 362 E CB -0.271 29.476 29.700 0.077 0.000 0.763 362 E HN 0.180 nan 8.360 nan 0.000 0.478 363 A N 0.834 123.614 122.820 -0.067 0.000 2.209 363 A HA -0.046 4.278 4.320 0.008 0.000 0.212 363 A C 1.960 179.493 177.584 -0.085 0.000 1.158 363 A CA 0.402 52.390 52.037 -0.081 0.000 0.742 363 A CB -0.393 18.540 19.000 -0.112 0.000 0.790 363 A HN 0.156 nan 8.150 nan 0.000 0.472 364 L N 0.058 121.199 121.223 -0.137 0.000 2.353 364 L HA -0.135 4.210 4.340 0.008 0.000 0.220 364 L C 2.704 179.506 176.870 -0.113 0.000 1.133 364 L CA 1.525 56.269 54.840 -0.161 0.000 0.798 364 L CB -0.633 41.189 42.059 -0.396 0.000 0.922 364 L HN 0.638 nan 8.230 nan 0.000 0.445 365 T N -3.630 110.861 114.554 -0.105 0.000 3.098 365 T HA -0.130 4.224 4.350 0.008 0.000 0.266 365 T C 1.234 175.927 174.700 -0.012 0.000 1.145 365 T CA 0.899 62.963 62.100 -0.059 0.000 1.092 365 T CB -0.467 68.375 68.868 -0.044 0.000 0.908 365 T HN 0.464 nan 8.240 nan 0.000 0.526 366 D N -0.414 119.981 120.400 -0.009 0.000 2.363 366 D HA -0.109 4.536 4.640 0.008 0.000 0.220 366 D C 0.760 177.063 176.300 0.005 0.000 0.994 366 D CA 0.101 54.099 54.000 -0.004 0.000 0.890 366 D CB -0.848 39.943 40.800 -0.014 0.000 0.906 366 D HN 0.529 nan 8.370 nan 0.000 0.530 367 H N 0.871 119.911 119.070 -0.050 0.000 2.683 367 H HA 0.105 4.665 4.556 0.006 0.000 0.339 367 H C -1.640 173.674 175.328 -0.025 0.000 1.081 367 H CA -1.440 54.585 56.048 -0.039 0.000 1.432 367 H CB 1.806 31.535 29.762 -0.055 0.000 1.462 367 H HN -0.197 nan 8.280 nan 0.000 0.557 368 P HA -0.132 nan 4.420 nan 0.000 0.217 368 P C 1.629 178.991 177.300 0.104 0.000 1.148 368 P CA 1.013 64.067 63.100 -0.077 0.000 0.828 368 P CB 0.264 31.874 31.700 -0.150 0.000 0.783 369 L N -1.880 119.539 121.223 0.327 0.000 2.418 369 L HA 0.025 4.370 4.340 0.008 0.000 0.218 369 L C 0.396 177.354 176.870 0.147 0.000 1.125 369 L CA 0.258 55.253 54.840 0.258 0.000 0.835 369 L CB 0.036 42.253 42.059 0.263 0.000 0.953 369 L HN -0.219 nan 8.230 nan 0.000 0.454 370 V N 0.114 120.093 119.914 0.108 0.000 2.318 370 V HA 0.256 4.381 4.120 0.008 0.000 0.271 370 V C 1.136 177.189 176.094 -0.069 0.000 1.030 370 V CA -0.005 62.275 62.300 -0.034 0.000 0.844 370 V CB 0.928 32.689 31.823 -0.104 0.000 1.015 370 V HN 0.262 nan 8.190 nan 0.000 0.460 371 G N 4.721 113.422 108.800 -0.164 0.000 2.437 371 G HA2 0.090 4.055 3.960 0.008 0.000 0.212 371 G HA3 0.090 4.055 3.960 0.008 0.000 0.212 371 G C 0.385 174.991 174.900 -0.491 0.000 1.174 371 G CA 0.442 45.428 45.100 -0.191 0.000 0.811 371 G HN 0.729 nan 8.290 nan 0.000 0.537 372 E N -1.489 118.232 120.200 -0.798 0.000 2.393 372 E HA 0.717 5.072 4.350 0.008 0.000 0.273 372 E C -1.447 174.982 176.600 -0.285 0.000 0.918 372 E CA -1.234 54.877 56.400 -0.482 0.000 0.773 372 E CB 2.218 31.605 29.700 -0.521 0.000 1.275 372 E HN 0.173 nan 8.360 nan 0.000 0.451 373 A N 2.146 124.907 122.820 -0.099 0.000 2.411 373 A HA 0.556 4.881 4.320 0.008 0.000 0.285 373 A C -1.187 176.555 177.584 0.264 0.000 1.129 373 A CA -0.957 51.096 52.037 0.027 0.000 0.736 373 A CB 1.068 19.945 19.000 -0.204 0.000 1.186 373 A HN 0.360 nan 8.150 nan 0.000 0.445 374 K N 1.410 122.049 120.400 0.398 0.000 2.316 374 K HA 0.756 5.081 4.320 0.008 0.000 0.251 374 K C -1.379 175.335 176.600 0.191 0.000 0.934 374 K CA -0.439 55.997 56.287 0.249 0.000 0.802 374 K CB 2.558 35.162 32.500 0.173 0.000 1.171 374 K HN 0.787 nan 8.250 nan 0.000 0.426 375 I N 0.649 121.275 120.570 0.092 0.000 2.710 375 I HA 0.241 4.416 4.170 0.008 0.000 0.290 375 I C -1.721 174.396 176.117 -0.000 0.000 1.318 375 I CA -0.759 60.515 61.300 -0.044 0.000 1.045 375 I CB 1.808 39.759 38.000 -0.082 0.000 1.307 375 I HN 0.200 nan 8.210 nan 0.000 0.424 376 V N 8.211 128.112 119.914 -0.022 0.000 2.376 376 V HA 0.722 4.847 4.120 0.008 0.000 0.287 376 V C 0.862 176.938 176.094 -0.030 0.000 1.015 376 V CA 0.578 62.877 62.300 -0.003 0.000 0.834 376 V CB 0.489 32.327 31.823 0.024 0.000 1.001 376 V HN 1.163 nan 8.190 nan 0.000 0.428 377 G N 5.751 114.530 108.800 -0.034 0.000 2.602 377 G HA2 -0.276 3.689 3.960 0.008 0.000 0.310 377 G HA3 -0.276 3.689 3.960 0.008 0.000 0.310 377 G C 0.447 175.308 174.900 -0.065 0.000 1.183 377 G CA 0.730 45.801 45.100 -0.049 0.000 0.979 377 G HN 0.544 nan 8.290 nan 0.000 0.545 378 M N 1.791 121.353 119.600 -0.063 0.000 2.673 378 M HA 0.406 4.891 4.480 0.008 0.000 0.334 378 M C 0.591 176.840 176.300 -0.085 0.000 1.211 378 M CA 0.328 55.583 55.300 -0.076 0.000 0.962 378 M CB -0.448 32.121 32.600 -0.052 0.000 1.343 378 M HN 0.642 nan 8.290 nan 0.000 0.511 379 M N -0.091 119.458 119.600 -0.085 0.000 2.326 379 M HA 0.936 5.421 4.480 0.008 0.000 0.306 379 M C -1.148 175.037 176.300 -0.193 0.000 1.054 379 M CA -0.607 54.660 55.300 -0.056 0.000 0.922 379 M CB 2.472 35.147 32.600 0.125 0.000 1.632 379 M HN -0.017 nan 8.290 nan 0.000 0.436 380 A N 2.022 124.629 122.820 -0.356 0.000 2.572 380 A HA 0.939 5.264 4.320 0.008 0.000 0.295 380 A C -0.916 176.469 177.584 -0.331 0.000 1.072 380 A CA -0.480 51.190 52.037 -0.613 0.000 0.691 380 A CB 1.944 19.954 19.000 -1.650 0.000 1.291 380 A HN 1.072 nan 8.150 nan 0.000 0.404 381 S N 0.199 115.956 115.700 0.096 0.000 2.564 381 S HA 0.839 5.313 4.470 0.008 0.000 0.274 381 S C -0.583 174.378 174.600 0.602 0.000 1.124 381 S CA -0.529 57.900 58.200 0.381 0.000 0.869 381 S CB 1.187 64.501 63.200 0.190 0.000 1.105 381 S HN 1.622 nan 8.310 nan 0.000 0.472 382 I N -0.931 119.858 120.570 0.364 0.000 2.646 382 I HA 0.909 5.083 4.170 0.008 0.000 0.299 382 I C -0.312 175.762 176.117 -0.072 0.000 1.036 382 I CA -1.512 59.798 61.300 0.017 0.000 1.074 382 I CB 1.787 39.661 38.000 -0.210 0.000 1.258 382 I HN 0.814 nan 8.210 nan 0.000 0.430 383 A N 6.940 129.604 122.820 -0.260 0.000 2.260 383 A HA 0.705 5.029 4.320 0.008 0.000 0.308 383 A C -0.387 177.103 177.584 -0.156 0.000 1.254 383 A CA -0.608 51.257 52.037 -0.287 0.000 0.874 383 A CB 0.547 19.059 19.000 -0.813 0.000 1.153 383 A HN 0.756 nan 8.150 nan 0.000 0.527 384 L N 1.978 123.231 121.223 0.049 0.000 2.326 384 L HA 0.653 4.998 4.340 0.008 0.000 0.278 384 L C 0.571 177.616 176.870 0.291 0.000 1.092 384 L CA -0.198 54.754 54.840 0.186 0.000 0.810 384 L CB 1.565 43.770 42.059 0.243 0.000 1.153 384 L HN 0.757 nan 8.230 nan 0.000 0.439 385 T N 2.239 116.887 114.554 0.156 0.000 2.932 385 T HA 0.420 4.775 4.350 0.008 0.000 0.318 385 T C -2.387 172.083 174.700 -0.384 0.000 1.265 385 T CA -1.137 60.839 62.100 -0.206 0.000 1.036 385 T CB 2.149 71.079 68.868 0.102 0.000 1.209 385 T HN 0.358 nan 8.240 nan 0.000 0.484 386 P HA 0.223 nan 4.420 nan 0.000 0.245 386 P C -0.130 177.067 177.300 -0.172 0.000 1.206 386 P CA 0.388 63.260 63.100 -0.380 0.000 0.781 386 P CB -0.010 31.426 31.700 -0.439 0.000 0.994 387 N N 0.227 118.835 118.700 -0.153 0.000 2.793 387 N HA 0.073 4.818 4.740 0.008 0.000 0.251 387 N C 0.817 176.317 175.510 -0.017 0.000 1.308 387 N CA -0.322 52.684 53.050 -0.073 0.000 0.781 387 N CB 0.787 39.219 38.487 -0.091 0.000 1.439 387 N HN -0.277 nan 8.380 nan 0.000 0.562 388 K N 0.737 121.171 120.400 0.058 0.000 2.209 388 K HA -0.035 4.290 4.320 0.008 0.000 0.204 388 K C 1.472 178.120 176.600 0.079 0.000 1.048 388 K CA 1.295 57.687 56.287 0.175 0.000 0.940 388 K CB 0.064 32.695 32.500 0.218 0.000 0.729 388 K HN 0.361 nan 8.250 nan 0.000 0.451 389 A N 2.078 124.907 122.820 0.014 0.000 1.969 389 A HA -0.103 4.221 4.320 0.008 0.000 0.218 389 A C 2.067 179.606 177.584 -0.075 0.000 1.169 389 A CA 1.644 53.674 52.037 -0.012 0.000 0.635 389 A CB -0.314 18.678 19.000 -0.013 0.000 0.810 389 A HN 0.432 nan 8.150 nan 0.000 0.445 390 S N -1.531 114.097 115.700 -0.119 0.000 2.575 390 S HA 0.255 4.730 4.470 0.008 0.000 0.237 390 S C 0.436 174.837 174.600 -0.333 0.000 0.975 390 S CA -0.090 58.000 58.200 -0.184 0.000 0.960 390 S CB -0.233 62.890 63.200 -0.129 0.000 0.822 390 S HN 0.494 nan 8.310 nan 0.000 0.472 391 R N 0.630 120.871 120.500 -0.431 0.000 3.405 391 R HA -0.166 4.179 4.340 0.008 0.000 0.258 391 R C 0.334 176.347 176.300 -0.478 0.000 1.030 391 R CA 0.570 56.177 56.100 -0.821 0.000 0.691 391 R CB -2.798 26.556 30.300 -1.576 0.000 1.093 391 R HN 0.667 nan 8.270 nan 0.000 0.448 392 A N 1.360 124.039 122.820 -0.234 0.000 2.462 392 A HA 0.246 4.570 4.320 0.008 0.000 0.243 392 A C 0.560 178.045 177.584 -0.165 0.000 1.076 392 A CA 0.103 52.025 52.037 -0.193 0.000 0.773 392 A CB 0.421 19.325 19.000 -0.161 0.000 1.010 392 A HN 0.320 nan 8.150 nan 0.000 0.493 393 K N 0.926 121.248 120.400 -0.129 0.000 2.118 393 K HA 0.418 4.743 4.320 0.008 0.000 0.264 393 K C -0.864 175.674 176.600 -0.104 0.000 1.000 393 K CA -0.229 56.026 56.287 -0.052 0.000 0.929 393 K CB 0.641 33.148 32.500 0.011 0.000 1.021 393 K HN 0.552 nan 8.250 nan 0.000 0.463 394 F N 0.713 120.682 119.950 0.032 0.000 2.539 394 F HA -0.035 4.497 4.527 0.008 0.000 0.340 394 F C 1.629 177.408 175.800 -0.035 0.000 1.185 394 F CA 0.386 58.386 58.000 -0.000 0.000 1.333 394 F CB 0.432 39.437 39.000 0.008 0.000 1.152 394 F HN 0.688 nan 8.300 nan 0.000 0.602 395 A N 1.142 124.014 122.820 0.086 0.000 1.933 395 A HA -0.079 4.246 4.320 0.008 0.000 0.218 395 A C 1.339 178.932 177.584 0.016 0.000 1.175 395 A CA 0.980 52.921 52.037 -0.160 0.000 0.628 395 A CB -0.818 17.740 19.000 -0.736 0.000 0.814 395 A HN 0.577 nan 8.150 nan 0.000 0.444 396 S N 0.417 116.160 115.700 0.072 0.000 2.568 396 S HA 0.226 4.701 4.470 0.008 0.000 0.282 396 S C 0.236 174.915 174.600 0.131 0.000 1.338 396 S CA -0.353 57.921 58.200 0.122 0.000 1.045 396 S CB 0.587 63.810 63.200 0.040 0.000 0.873 396 S HN 0.539 nan 8.310 nan 0.000 0.516 397 E N 2.849 123.114 120.200 0.108 0.000 2.608 397 E HA 0.011 4.365 4.350 0.008 0.000 0.259 397 E C -2.422 174.229 176.600 0.084 0.000 0.951 397 E CA -0.919 55.532 56.400 0.085 0.000 0.945 397 E CB 0.087 29.820 29.700 0.055 0.000 0.916 397 E HN 0.142 nan 8.360 nan 0.000 0.477 398 P HA 0.065 nan 4.420 nan 0.000 0.264 398 P C 0.475 177.842 177.300 0.111 0.000 1.183 398 P CA 1.295 64.467 63.100 0.120 0.000 0.763 398 P CB 0.730 32.501 31.700 0.119 0.000 0.807 399 G N 1.751 110.629 108.800 0.131 0.000 2.254 399 G HA2 -0.278 3.687 3.960 0.008 0.000 0.225 399 G HA3 -0.278 3.687 3.960 0.008 0.000 0.225 399 G C 1.226 176.164 174.900 0.063 0.000 1.003 399 G CA 0.474 45.684 45.100 0.185 0.000 0.622 399 G HN 0.457 nan 8.290 nan 0.000 0.507 400 T N 1.006 115.561 114.554 0.001 0.000 2.737 400 T HA 0.024 4.379 4.350 0.008 0.000 0.265 400 T C 2.308 176.942 174.700 -0.110 0.000 1.038 400 T CA 1.630 63.694 62.100 -0.060 0.000 1.144 400 T CB -0.093 68.737 68.868 -0.062 0.000 0.866 400 T HN 0.226 nan 8.240 nan 0.000 0.434 401 I N 1.379 121.826 120.570 -0.206 0.000 2.406 401 I HA 0.083 4.258 4.170 0.008 0.000 0.249 401 I C 2.673 178.666 176.117 -0.207 0.000 1.122 401 I CA 0.750 61.848 61.300 -0.337 0.000 1.431 401 I CB -0.982 36.535 38.000 -0.804 0.000 1.087 401 I HN 0.293 nan 8.210 nan 0.000 0.424 402 G N -0.775 107.951 108.800 -0.123 0.000 2.418 402 G HA2 -0.352 3.613 3.960 0.008 0.000 0.217 402 G HA3 -0.352 3.613 3.960 0.008 0.000 0.217 402 G C 1.811 176.404 174.900 -0.511 0.000 1.158 402 G CA 0.929 45.949 45.100 -0.134 0.000 0.771 402 G HN 0.404 nan 8.290 nan 0.000 0.545 403 Y N 1.159 120.990 120.300 -0.781 0.000 2.128 403 Y HA -0.143 4.412 4.550 0.008 0.000 0.284 403 Y C 2.610 178.290 175.900 -0.367 0.000 1.154 403 Y CA 1.651 59.314 58.100 -0.729 0.000 1.149 403 Y CB -0.196 38.022 38.460 -0.403 0.000 0.976 403 Y HN 0.182 nan 8.280 nan 0.000 0.505 404 I N -0.971 119.520 120.570 -0.131 0.000 2.208 404 I HA -0.390 3.785 4.170 0.008 0.000 0.245 404 I C 2.841 178.836 176.117 -0.204 0.000 1.097 404 I CA 1.461 62.679 61.300 -0.137 0.000 1.363 404 I CB -0.612 37.340 38.000 -0.080 0.000 1.051 404 I HN 0.461 nan 8.210 nan 0.000 0.413 405 C N 1.033 120.215 119.300 -0.197 0.000 2.446 405 C HA -0.148 4.317 4.460 0.008 0.000 0.277 405 C C 3.115 178.006 174.990 -0.165 0.000 1.275 405 C CA 0.918 59.842 59.018 -0.156 0.000 1.727 405 C CB -0.968 26.699 27.740 -0.122 0.000 2.010 405 C HN 0.442 nan 8.230 nan 0.000 0.486 406 R N 0.920 121.282 120.500 -0.231 0.000 2.081 406 R HA -0.083 4.262 4.340 0.008 0.000 0.235 406 R C 1.989 178.167 176.300 -0.202 0.000 1.131 406 R CA 1.787 57.774 56.100 -0.188 0.000 0.960 406 R CB -0.832 29.338 30.300 -0.216 0.000 0.856 406 R HN 0.577 nan 8.270 nan 0.000 0.436 407 E N 0.376 120.367 120.200 -0.348 0.000 2.110 407 E HA -0.139 4.215 4.350 0.008 0.000 0.193 407 E C 2.049 178.593 176.600 -0.094 0.000 0.988 407 E CA 0.750 56.987 56.400 -0.271 0.000 0.804 407 E CB -0.136 29.316 29.700 -0.414 0.000 0.745 407 E HN 0.155 nan 8.360 nan 0.000 0.458 408 R N 0.400 120.839 120.500 -0.102 0.000 2.075 408 R HA -0.050 4.295 4.340 0.008 0.000 0.232 408 R C 2.544 178.831 176.300 -0.021 0.000 1.126 408 R CA 0.752 56.820 56.100 -0.052 0.000 0.963 408 R CB -1.441 28.823 30.300 -0.061 0.000 0.858 408 R HN 0.251 nan 8.270 nan 0.000 0.435 409 C N 0.157 119.444 119.300 -0.021 0.000 2.413 409 C HA -0.104 4.361 4.460 0.008 0.000 0.276 409 C C 2.537 177.570 174.990 0.071 0.000 1.236 409 C CA 0.273 59.296 59.018 0.009 0.000 1.735 409 C CB -1.215 26.525 27.740 0.001 0.000 2.031 409 C HN 0.334 nan 8.230 nan 0.000 0.474 410 F N 1.933 121.829 119.950 -0.091 0.000 2.134 410 F HA -0.085 4.447 4.527 0.007 0.000 0.299 410 F C 2.408 178.175 175.800 -0.055 0.000 1.097 410 F CA 1.398 59.354 58.000 -0.074 0.000 1.264 410 F CB -0.592 38.352 39.000 -0.092 0.000 1.001 410 F HN 0.171 nan 8.300 nan 0.000 0.479 411 A N -0.480 122.373 122.820 0.054 0.000 2.015 411 A HA -0.141 4.184 4.320 0.008 0.000 0.219 411 A C 1.675 179.234 177.584 -0.043 0.000 1.163 411 A CA 1.502 53.529 52.037 -0.016 0.000 0.646 411 A CB -0.612 18.391 19.000 0.005 0.000 0.806 411 A HN 0.393 nan 8.150 nan 0.000 0.448 412 N N 1.005 119.687 118.700 -0.029 0.000 2.313 412 N HA -0.004 4.741 4.740 0.008 0.000 0.207 412 N C -0.532 174.960 175.510 -0.029 0.000 1.141 412 N CA 0.089 53.125 53.050 -0.023 0.000 0.830 412 N CB -0.175 38.305 38.487 -0.011 0.000 1.008 412 N HN 0.345 nan 8.380 nan 0.000 0.481 413 N N 0.374 119.026 118.700 -0.080 0.000 2.725 413 N HA -0.211 4.534 4.740 0.008 0.000 0.251 413 N C -1.014 174.476 175.510 -0.034 0.000 1.031 413 N CA 0.532 53.528 53.050 -0.089 0.000 0.720 413 N CB -1.246 37.221 38.487 -0.034 0.000 0.930 413 N HN 0.317 nan 8.380 nan 0.000 0.543 414 L N 0.021 121.218 121.223 -0.043 0.000 2.409 414 L HA 0.531 4.876 4.340 0.008 0.000 0.272 414 L C -0.640 176.227 176.870 -0.005 0.000 0.980 414 L CA -0.698 54.121 54.840 -0.035 0.000 0.826 414 L CB 1.269 43.307 42.059 -0.036 0.000 1.268 414 L HN 0.028 nan 8.230 nan 0.000 0.407 415 I N 5.947 126.503 120.570 -0.023 0.000 2.243 415 I HA 0.290 4.465 4.170 0.008 0.000 0.297 415 I C -0.094 175.989 176.117 -0.055 0.000 1.161 415 I CA 0.267 61.576 61.300 0.015 0.000 1.298 415 I CB 0.032 38.033 38.000 0.002 0.000 1.475 415 I HN 0.761 nan 8.210 nan 0.000 0.561 416 M N 6.302 125.882 119.600 -0.033 0.000 2.321 416 M HA 0.507 4.992 4.480 0.008 0.000 0.315 416 M C -0.750 175.522 176.300 -0.046 0.000 1.052 416 M CA -0.471 54.791 55.300 -0.065 0.000 0.936 416 M CB 1.869 34.444 32.600 -0.041 0.000 1.639 416 M HN 0.289 nan 8.290 nan 0.000 0.433 417 R N 2.505 122.956 120.500 -0.081 0.000 2.758 417 R HA 0.542 4.887 4.340 0.008 0.000 0.265 417 R C -0.581 175.735 176.300 0.027 0.000 1.016 417 R CA -0.624 55.446 56.100 -0.051 0.000 1.040 417 R CB 0.915 31.130 30.300 -0.141 0.000 1.152 417 R HN 0.795 nan 8.270 nan 0.000 0.503 418 H N -1.541 117.490 119.070 -0.066 0.000 2.529 418 H HA 0.593 5.153 4.556 0.007 0.000 0.348 418 H C -1.146 174.179 175.328 -0.005 0.000 1.152 418 H CA -0.922 55.111 56.048 -0.025 0.000 1.202 418 H CB 1.474 31.226 29.762 -0.017 0.000 1.562 418 H HN 0.121 nan 8.280 nan 0.000 0.515 419 V N 3.236 123.125 119.914 -0.042 0.000 2.447 419 V HA 0.431 4.555 4.120 0.008 0.000 0.292 419 V C 1.093 177.216 176.094 0.048 0.000 1.021 419 V CA 0.086 62.329 62.300 -0.096 0.000 0.850 419 V CB 0.605 32.409 31.823 -0.031 0.000 1.005 419 V HN 1.310 nan 8.190 nan 0.000 0.426 420 G N 4.885 113.738 108.800 0.088 0.000 2.622 420 G HA2 -0.268 3.697 3.960 0.008 0.000 0.307 420 G HA3 -0.268 3.697 3.960 0.008 0.000 0.307 420 G C 0.207 175.239 174.900 0.220 0.000 1.226 420 G CA 0.725 45.922 45.100 0.162 0.000 0.997 420 G HN 0.657 nan 8.290 nan 0.000 0.551 421 D N 1.892 122.401 120.400 0.182 0.000 2.491 421 D HA 0.237 4.882 4.640 0.008 0.000 0.228 421 D C 1.060 177.451 176.300 0.151 0.000 1.183 421 D CA 0.127 54.236 54.000 0.181 0.000 0.827 421 D CB 0.127 41.079 40.800 0.253 0.000 0.989 421 D HN 0.364 nan 8.370 nan 0.000 0.494 422 R N 0.505 121.084 120.500 0.132 0.000 2.368 422 R HA 0.434 4.778 4.340 0.008 0.000 0.302 422 R C 0.201 176.567 176.300 0.110 0.000 1.002 422 R CA -0.596 55.563 56.100 0.099 0.000 0.929 422 R CB 1.523 31.878 30.300 0.092 0.000 1.073 422 R HN -0.130 nan 8.270 nan 0.000 0.464 423 M N 4.477 124.136 119.600 0.099 0.000 2.363 423 M HA 0.473 4.958 4.480 0.008 0.000 0.343 423 M C 0.016 176.404 176.300 0.148 0.000 1.165 423 M CA -0.688 54.675 55.300 0.104 0.000 1.046 423 M CB 1.093 33.735 32.600 0.069 0.000 1.648 423 M HN 0.605 nan 8.290 nan 0.000 0.452 424 I N 1.657 122.269 120.570 0.070 0.000 2.730 424 I HA 0.846 5.021 4.170 0.008 0.000 0.298 424 I C -0.898 175.131 176.117 -0.146 0.000 1.089 424 I CA -1.111 60.186 61.300 -0.005 0.000 1.041 424 I CB 2.411 40.396 38.000 -0.024 0.000 1.235 424 I HN 0.816 nan 8.210 nan 0.000 0.423 425 I N 1.170 121.574 120.570 -0.277 0.000 3.042 425 I HA 0.769 4.944 4.170 0.008 0.000 0.310 425 I C -0.474 175.411 176.117 -0.387 0.000 1.117 425 I CA -0.645 60.438 61.300 -0.360 0.000 1.003 425 I CB 2.354 40.144 38.000 -0.350 0.000 1.228 425 I HN 0.672 nan 8.210 nan 0.000 0.443 426 S N 3.889 119.374 115.700 -0.358 0.000 2.680 426 S HA 0.433 4.908 4.470 0.008 0.000 0.153 426 S C -2.820 171.675 174.600 -0.176 0.000 1.224 426 S CA -0.759 57.303 58.200 -0.231 0.000 1.197 426 S CB 0.279 63.292 63.200 -0.312 0.000 1.634 426 S HN 0.636 nan 8.310 nan 0.000 0.422 427 P HA 0.394 nan 4.420 nan 0.000 0.274 427 P C -2.871 174.379 177.300 -0.084 0.000 1.246 427 P CA -1.521 61.503 63.100 -0.126 0.000 0.795 427 P CB -0.657 30.974 31.700 -0.117 0.000 1.006 428 P HA 0.017 nan 4.420 nan 0.000 0.263 428 P C 1.241 178.524 177.300 -0.028 0.000 1.175 428 P CA 0.455 63.513 63.100 -0.070 0.000 0.761 428 P CB 0.058 31.706 31.700 -0.087 0.000 0.794 429 L N 3.180 124.395 121.223 -0.013 0.000 2.189 429 L HA -0.164 4.181 4.340 0.008 0.000 0.214 429 L C 1.872 178.810 176.870 0.114 0.000 1.097 429 L CA 1.352 56.207 54.840 0.025 0.000 0.764 429 L CB -0.914 41.147 42.059 0.002 0.000 0.900 429 L HN 0.313 nan 8.230 nan 0.000 0.436 430 V N -2.633 117.306 119.914 0.041 0.000 3.646 430 V HA 0.127 4.251 4.120 0.008 0.000 0.277 430 V C 1.157 177.260 176.094 0.015 0.000 1.274 430 V CA -0.363 61.914 62.300 -0.038 0.000 1.164 430 V CB -0.860 30.899 31.823 -0.107 0.000 0.926 430 V HN 0.217 nan 8.190 nan 0.000 0.442 431 I N 3.148 123.772 120.570 0.090 0.000 2.815 431 I HA 0.157 4.332 4.170 0.008 0.000 0.291 431 I C 0.994 177.212 176.117 0.168 0.000 1.209 431 I CA 0.722 62.066 61.300 0.073 0.000 1.431 431 I CB 1.007 39.024 38.000 0.029 0.000 1.351 431 I HN 0.577 nan 8.210 nan 0.000 0.585 432 T N 3.693 118.303 114.554 0.094 0.000 2.934 432 T HA 0.418 4.772 4.350 0.008 0.000 0.283 432 T C -1.889 172.810 174.700 -0.001 0.000 1.005 432 T CA -1.666 60.482 62.100 0.080 0.000 1.041 432 T CB 1.389 70.280 68.868 0.038 0.000 1.042 432 T HN 0.382 nan 8.240 nan 0.000 0.505 433 P HA -0.106 nan 4.420 nan 0.000 0.216 433 P C 1.636 178.843 177.300 -0.155 0.000 1.150 433 P CA 1.586 64.403 63.100 -0.471 0.000 0.843 433 P CB -0.257 30.855 31.700 -0.981 0.000 0.787 434 A N -0.264 122.517 122.820 -0.064 0.000 1.902 434 A HA -0.235 4.090 4.320 0.008 0.000 0.217 434 A C 2.142 179.797 177.584 0.119 0.000 1.181 434 A CA 1.748 53.811 52.037 0.044 0.000 0.623 434 A CB -1.201 17.827 19.000 0.046 0.000 0.818 434 A HN 0.179 nan 8.150 nan 0.000 0.443 435 E N -0.334 119.934 120.200 0.114 0.000 2.110 435 E HA -0.126 4.229 4.350 0.008 0.000 0.193 435 E C 1.811 178.493 176.600 0.137 0.000 0.988 435 E CA 1.107 57.585 56.400 0.129 0.000 0.804 435 E CB -0.277 29.461 29.700 0.063 0.000 0.745 435 E HN 0.690 nan 8.360 nan 0.000 0.458 436 I N 1.505 122.183 120.570 0.180 0.000 2.208 436 I HA -0.292 3.883 4.170 0.008 0.000 0.245 436 I C 1.759 178.138 176.117 0.437 0.000 1.097 436 I CA 1.048 62.542 61.300 0.323 0.000 1.363 436 I CB -0.189 38.065 38.000 0.424 0.000 1.051 436 I HN 0.072 nan 8.210 nan 0.000 0.413 437 D N 0.376 120.985 120.400 0.349 0.000 2.123 437 D HA -0.231 4.414 4.640 0.008 0.000 0.196 437 D C 2.052 178.519 176.300 0.280 0.000 0.992 437 D CA 1.279 55.462 54.000 0.306 0.000 0.833 437 D CB -0.209 40.724 40.800 0.222 0.000 0.954 437 D HN 0.289 nan 8.370 nan 0.000 0.455 438 E N 0.544 120.883 120.200 0.231 0.000 2.106 438 E HA -0.121 4.233 4.350 0.008 0.000 0.192 438 E C 2.082 178.783 176.600 0.170 0.000 0.984 438 E CA 0.634 57.159 56.400 0.208 0.000 0.806 438 E CB -0.352 29.503 29.700 0.258 0.000 0.750 438 E HN 0.224 nan 8.360 nan 0.000 0.458 439 M N -0.821 118.859 119.600 0.133 0.000 2.082 439 M HA -0.199 4.286 4.480 0.008 0.000 0.258 439 M C 1.553 177.846 176.300 -0.011 0.000 1.069 439 M CA 1.796 57.107 55.300 0.018 0.000 1.102 439 M CB -0.216 32.364 32.600 -0.033 0.000 1.336 439 M HN 0.188 nan 8.290 nan 0.000 0.404 440 F N -0.582 119.414 119.950 0.077 0.000 2.234 440 F HA -0.164 4.369 4.527 0.009 0.000 0.299 440 F C 2.204 178.025 175.800 0.036 0.000 1.087 440 F CA 1.114 59.148 58.000 0.055 0.000 1.340 440 F CB -0.837 38.196 39.000 0.054 0.000 1.031 440 F HN -0.060 nan 8.300 nan 0.000 0.500 441 V N 0.291 120.334 119.914 0.216 0.000 2.282 441 V HA -0.349 3.776 4.120 0.008 0.000 0.249 441 V C 2.374 178.514 176.094 0.077 0.000 1.057 441 V CA 2.119 64.498 62.300 0.131 0.000 1.032 441 V CB -0.560 31.335 31.823 0.121 0.000 0.645 441 V HN 0.263 nan 8.190 nan 0.000 0.447 442 R N -0.705 119.829 120.500 0.056 0.000 2.092 442 R HA -0.020 4.325 4.340 0.008 0.000 0.231 442 R C 2.212 178.493 176.300 -0.031 0.000 1.119 442 R CA 1.343 57.452 56.100 0.015 0.000 0.970 442 R CB -0.363 29.946 30.300 0.015 0.000 0.864 442 R HN 0.447 nan 8.270 nan 0.000 0.440 443 I N 0.585 121.110 120.570 -0.076 0.000 2.142 443 I HA -0.291 3.884 4.170 0.008 0.000 0.240 443 I C 2.442 178.493 176.117 -0.111 0.000 1.078 443 I CA 1.474 62.688 61.300 -0.142 0.000 1.343 443 I CB -0.179 37.641 38.000 -0.300 0.000 1.046 443 I HN 0.110 nan 8.210 nan 0.000 0.405 444 R N 0.488 120.966 120.500 -0.038 0.000 2.096 444 R HA -0.193 4.151 4.340 0.008 0.000 0.235 444 R C 2.328 178.628 176.300 0.000 0.000 1.127 444 R CA 1.227 57.322 56.100 -0.009 0.000 0.968 444 R CB -0.357 29.991 30.300 0.079 0.000 0.861 444 R HN 0.334 nan 8.270 nan 0.000 0.440 445 K N 0.670 121.075 120.400 0.009 0.000 2.026 445 K HA -0.113 4.212 4.320 0.008 0.000 0.208 445 K C 2.066 178.659 176.600 -0.011 0.000 1.048 445 K CA 1.807 58.102 56.287 0.013 0.000 0.929 445 K CB 0.038 32.547 32.500 0.015 0.000 0.713 445 K HN 0.008 nan 8.250 nan 0.000 0.439 446 S N 1.347 117.023 115.700 -0.040 0.000 2.382 446 S HA -0.111 4.364 4.470 0.008 0.000 0.228 446 S C 1.897 176.446 174.600 -0.085 0.000 1.027 446 S CA 1.182 59.347 58.200 -0.058 0.000 0.991 446 S CB -0.223 62.937 63.200 -0.067 0.000 0.823 446 S HN 0.251 nan 8.310 nan 0.000 0.469 447 L N 1.325 122.459 121.223 -0.148 0.000 2.046 447 L HA -0.151 4.193 4.340 0.008 0.000 0.208 447 L C 2.181 179.017 176.870 -0.057 0.000 1.077 447 L CA 1.112 55.797 54.840 -0.258 0.000 0.747 447 L CB -0.678 40.957 42.059 -0.707 0.000 0.896 447 L HN 0.185 nan 8.230 nan 0.000 0.432 448 D N 0.150 120.597 120.400 0.078 0.000 2.097 448 D HA -0.189 4.456 4.640 0.008 0.000 0.195 448 D C 2.105 178.447 176.300 0.070 0.000 0.989 448 D CA 1.265 55.362 54.000 0.161 0.000 0.827 448 D CB -0.156 40.719 40.800 0.125 0.000 0.966 448 D HN 0.390 nan 8.370 nan 0.000 0.456 449 E N 0.554 120.770 120.200 0.026 0.000 2.153 449 E HA -0.096 4.259 4.350 0.008 0.000 0.194 449 E C 2.044 178.641 176.600 -0.005 0.000 0.988 449 E CA 0.845 57.249 56.400 0.007 0.000 0.811 449 E CB -0.018 29.678 29.700 -0.006 0.000 0.746 449 E HN 0.204 nan 8.360 nan 0.000 0.466 450 A N 1.387 124.197 122.820 -0.017 0.000 1.873 450 A HA -0.262 4.063 4.320 0.008 0.000 0.215 450 A C 2.157 179.736 177.584 -0.007 0.000 1.186 450 A CA 1.532 53.547 52.037 -0.036 0.000 0.616 450 A CB -0.527 18.434 19.000 -0.066 0.000 0.823 450 A HN 0.215 nan 8.150 nan 0.000 0.442 451 Q N -0.464 119.362 119.800 0.044 0.000 2.096 451 Q HA -0.194 4.151 4.340 0.008 0.000 0.204 451 Q C 2.161 178.187 176.000 0.043 0.000 0.982 451 Q CA 1.874 57.724 55.803 0.078 0.000 0.850 451 Q CB -0.342 28.484 28.738 0.147 0.000 0.901 451 Q HN 0.609 nan 8.270 nan 0.000 0.422 452 A N 0.323 123.162 122.820 0.032 0.000 1.898 452 A HA -0.205 4.120 4.320 0.008 0.000 0.216 452 A C 1.862 179.450 177.584 0.007 0.000 1.181 452 A CA 1.661 53.709 52.037 0.018 0.000 0.620 452 A CB -0.579 18.430 19.000 0.015 0.000 0.819 452 A HN 0.493 nan 8.150 nan 0.000 0.442 453 E N 0.405 120.603 120.200 -0.003 0.000 2.072 453 E HA -0.123 4.232 4.350 0.008 0.000 0.191 453 E C 1.674 178.263 176.600 -0.019 0.000 0.985 453 E CA 1.370 57.762 56.400 -0.012 0.000 0.801 453 E CB -0.437 29.250 29.700 -0.021 0.000 0.750 453 E HN 0.618 nan 8.360 nan 0.000 0.452 454 I N 1.013 121.564 120.570 -0.031 0.000 2.151 454 I HA -0.286 3.889 4.170 0.008 0.000 0.243 454 I C 2.315 178.427 176.117 -0.008 0.000 1.080 454 I CA 1.499 62.771 61.300 -0.046 0.000 1.339 454 I CB -0.371 37.586 38.000 -0.071 0.000 1.039 454 I HN 0.156 nan 8.210 nan 0.000 0.409 455 E N 0.813 121.020 120.200 0.012 0.000 2.085 455 E HA -0.283 4.072 4.350 0.008 0.000 0.194 455 E C 2.109 178.714 176.600 0.009 0.000 0.994 455 E CA 1.237 57.647 56.400 0.017 0.000 0.801 455 E CB -0.301 29.411 29.700 0.020 0.000 0.743 455 E HN 0.469 nan 8.360 nan 0.000 0.453 456 K N 0.933 121.336 120.400 0.004 0.000 2.057 456 K HA -0.165 4.160 4.320 0.008 0.000 0.207 456 K C 2.001 178.602 176.600 0.002 0.000 1.049 456 K CA 1.293 57.581 56.287 0.003 0.000 0.931 456 K CB 0.055 32.556 32.500 0.002 0.000 0.714 456 K HN 0.082 nan 8.250 nan 0.000 0.440 457 Q N -0.872 118.926 119.800 -0.002 0.000 2.488 457 Q HA 0.019 4.363 4.340 0.008 0.000 0.211 457 Q C 0.665 176.667 176.000 0.003 0.000 0.967 457 Q CA 0.653 56.454 55.803 -0.003 0.000 0.926 457 Q CB 0.403 29.134 28.738 -0.012 0.000 0.992 457 Q HN 0.641 nan 8.270 nan 0.000 0.506 458 G N 1.054 109.858 108.800 0.006 0.000 2.160 458 G HA2 -0.253 3.712 3.960 0.008 0.000 0.244 458 G HA3 -0.253 3.712 3.960 0.008 0.000 0.244 458 G C 0.399 175.309 174.900 0.017 0.000 1.022 458 G CA 0.085 45.194 45.100 0.013 0.000 0.741 458 G HN 0.369 nan 8.290 nan 0.000 0.508 459 L N -1.037 120.193 121.223 0.011 0.000 2.667 459 L HA 0.427 4.772 4.340 0.008 0.000 0.232 459 L C 1.577 178.504 176.870 0.095 0.000 1.138 459 L CA -0.239 54.609 54.840 0.012 0.000 0.921 459 L CB 0.276 42.303 42.059 -0.054 0.000 1.180 459 L HN 0.303 nan 8.230 nan 0.000 0.487 460 M N 1.894 121.560 119.600 0.111 0.000 3.436 460 M HA 0.179 4.664 4.480 0.008 0.000 0.240 460 M C -0.555 175.824 176.300 0.132 0.000 1.469 460 M CA 0.570 55.989 55.300 0.198 0.000 1.622 460 M CB -0.816 31.864 32.600 0.132 0.000 1.098 460 M HN -0.072 nan 8.290 nan 0.000 0.568 461 K N 0.154 120.647 120.400 0.155 0.000 2.469 461 K HA 0.623 4.948 4.320 0.008 0.000 0.254 461 K C -0.508 176.113 176.600 0.036 0.000 0.939 461 K CA -0.816 55.501 56.287 0.050 0.000 0.812 461 K CB 1.856 34.344 32.500 -0.020 0.000 1.301 461 K HN 0.445 nan 8.250 nan 0.000 0.433 462 S N -0.133 115.574 115.700 0.013 0.000 2.693 462 S HA 0.166 4.641 4.470 0.008 0.000 0.276 462 S C -0.088 174.510 174.600 -0.004 0.000 1.192 462 S CA -0.936 57.255 58.200 -0.014 0.000 0.994 462 S CB 1.160 64.370 63.200 0.016 0.000 1.012 462 S HN 0.686 nan 8.310 nan 0.000 0.550 463 E N -0.094 120.082 120.200 -0.040 0.000 2.414 463 E HA 0.344 4.698 4.350 0.008 0.000 0.263 463 E C 1.114 177.601 176.600 -0.189 0.000 1.000 463 E CA 0.495 56.860 56.400 -0.058 0.000 0.914 463 E CB -0.418 29.262 29.700 -0.033 0.000 0.948 463 E HN 1.224 nan 8.360 nan 0.000 0.444 464 G N 4.217 112.909 108.800 -0.179 0.000 2.175 464 G HA2 -0.233 3.731 3.960 0.008 0.000 0.244 464 G HA3 -0.233 3.731 3.960 0.008 0.000 0.244 464 G C 0.210 174.783 174.900 -0.546 0.000 0.982 464 G CA 0.315 45.184 45.100 -0.384 0.000 0.641 464 G HN 0.730 nan 8.290 nan 0.000 0.527 465 H N -0.756 118.347 119.070 0.055 0.000 2.767 465 H HA 0.274 4.834 4.556 0.007 0.000 0.235 465 H C 1.340 176.680 175.328 0.020 0.000 1.256 465 H CA -0.212 55.856 56.048 0.034 0.000 0.957 465 H CB -0.161 29.591 29.762 -0.016 0.000 2.117 465 H HN 0.491 nan 8.280 nan 0.000 0.602 466 H N 0.192 119.324 119.070 0.104 0.000 2.387 466 H HA -0.119 4.442 4.556 0.009 0.000 0.299 466 H C 1.183 176.570 175.328 0.099 0.000 1.099 466 H CA 1.464 57.566 56.048 0.091 0.000 1.315 466 H CB 0.363 30.169 29.762 0.073 0.000 1.380 466 H HN 0.480 nan 8.280 nan 0.000 0.513 467 H N 0.000 119.178 119.070 0.181 0.000 2.539 467 H HA 0.000 4.561 4.556 0.008 0.000 0.296 467 H CA 0.000 56.115 56.048 0.112 0.000 1.023 467 H CB 0.000 29.814 29.762 0.086 0.000 1.292 467 H HN 0.000 nan 8.280 nan 0.000 0.496