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 1b3k_1_A DATA FIRST_RESID 7 DATA SEQUENCE YVAHLASDFG VRVFQQVAQA SKDRNVVFSP YGVASVLAML QLTTGGETQQ DATA SEQUENCE QIQAAMGFKI DDKGMAPALR HLYKELMGPW NKDEISTTDA IFVQRDLKLV DATA SEQUENCE QGFMPHFFRL FRSTVKQVDF SEVERARFII NDWVKTHTKG MISHLLGTGA DATA SEQUENCE VDQLTRLVLV NALYFNGQWK TPFPDSSTHR RLFHKSDGST VSVPMMAQTN DATA SEQUENCE KFNYTEFTTP DGHYYDILEL PYHGDTLSMF IAAPYEKEVP LSALTNILSA DATA SEQUENCE QLISHWKGNM TRLPRLLVLP KFSLETEVDL RKPLENLGMT DMFRQFQADF DATA SEQUENCE TSLSDQEPLH VALALQKVKI EVNESGTVAS SSTAVIVSAR MAPEEIIIDR DATA SEQUENCE PFLFVVRHNP TGTVLFMGQV MEP 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.837 175.900 -0.106 0.000 1.272 7 Y CA 0.000 58.048 58.100 -0.086 0.000 1.940 7 Y CB 0.000 38.398 38.460 -0.103 0.000 1.050 8 V N 1.648 121.538 119.914 -0.040 0.000 2.323 8 V HA -0.124 3.782 4.120 -0.357 0.000 0.244 8 V C 2.616 178.584 176.094 -0.209 0.000 1.041 8 V CA 2.150 64.304 62.300 -0.244 0.000 1.025 8 V CB -1.350 30.373 31.823 -0.167 0.000 0.656 8 V HN 0.507 nan 8.190 nan 0.000 0.451 9 A N -0.747 122.033 122.820 -0.066 0.000 1.978 9 A HA -0.298 3.808 4.320 -0.357 0.000 0.220 9 A C 2.255 179.817 177.584 -0.036 0.000 1.170 9 A CA 2.028 54.061 52.037 -0.006 0.000 0.636 9 A CB -0.855 18.158 19.000 0.023 0.000 0.810 9 A HN 0.676 nan 8.150 nan 0.000 0.448 10 H N -0.167 118.806 119.070 -0.160 0.000 2.389 10 H HA 0.041 4.388 4.556 -0.350 0.000 0.299 10 H C 1.859 177.073 175.328 -0.191 0.000 1.081 10 H CA 1.658 57.598 56.048 -0.179 0.000 1.345 10 H CB -0.085 29.539 29.762 -0.231 0.000 1.393 10 H HN 0.438 nan 8.280 nan 0.000 0.520 11 L N -0.208 120.939 121.223 -0.127 0.000 2.072 11 L HA -0.057 4.069 4.340 -0.357 0.000 0.205 11 L C 2.980 179.888 176.870 0.064 0.000 1.079 11 L CA 0.854 55.638 54.840 -0.094 0.000 0.752 11 L CB -0.483 41.392 42.059 -0.306 0.000 0.906 11 L HN 0.219 nan 8.230 nan 0.000 0.436 12 A N -0.614 122.213 122.820 0.011 0.000 1.933 12 A HA -0.176 3.930 4.320 -0.357 0.000 0.218 12 A C 2.493 180.197 177.584 0.200 0.000 1.175 12 A CA 1.950 54.106 52.037 0.199 0.000 0.628 12 A CB -0.499 18.596 19.000 0.158 0.000 0.814 12 A HN 0.362 nan 8.150 nan 0.000 0.444 13 S N 0.196 115.935 115.700 0.064 0.000 2.348 13 S HA -0.160 4.096 4.470 -0.357 0.000 0.221 13 S C 1.682 176.281 174.600 -0.001 0.000 1.033 13 S CA 1.498 59.697 58.200 -0.001 0.000 1.010 13 S CB -0.438 62.670 63.200 -0.153 0.000 0.891 13 S HN 0.610 nan 8.310 nan 0.000 0.442 14 D N 0.642 121.030 120.400 -0.019 0.000 2.097 14 D HA -0.066 4.360 4.640 -0.357 0.000 0.195 14 D C 1.599 177.948 176.300 0.081 0.000 0.989 14 D CA 0.708 54.711 54.000 0.005 0.000 0.827 14 D CB -0.443 40.370 40.800 0.022 0.000 0.966 14 D HN 0.336 nan 8.370 nan 0.000 0.456 15 F N 1.548 121.538 119.950 0.068 0.000 2.120 15 F HA -0.146 4.165 4.527 -0.360 0.000 0.300 15 F C 2.201 178.068 175.800 0.113 0.000 1.095 15 F CA 2.059 60.120 58.000 0.101 0.000 1.249 15 F CB -0.560 38.530 39.000 0.150 0.000 0.995 15 F HN -0.022 nan 8.300 nan 0.000 0.480 16 G N -0.525 108.288 108.800 0.022 0.000 2.443 16 G HA2 -0.133 3.613 3.960 -0.357 0.000 0.219 16 G HA3 -0.133 3.613 3.960 -0.357 0.000 0.219 16 G C 1.665 176.584 174.900 0.032 0.000 1.131 16 G CA 0.985 46.108 45.100 0.039 0.000 0.775 16 G HN 0.366 nan 8.290 nan 0.000 0.547 17 V N 0.288 120.197 119.914 -0.009 0.000 2.379 17 V HA -0.043 3.863 4.120 -0.357 0.000 0.245 17 V C 2.685 178.755 176.094 -0.040 0.000 1.044 17 V CA 1.686 63.990 62.300 0.006 0.000 1.036 17 V CB -0.403 31.401 31.823 -0.032 0.000 0.664 17 V HN 0.332 nan 8.190 nan 0.000 0.453 18 R N -0.152 120.277 120.500 -0.118 0.000 2.152 18 R HA -0.108 4.018 4.340 -0.357 0.000 0.232 18 R C 2.049 178.206 176.300 -0.239 0.000 1.117 18 R CA 1.219 57.226 56.100 -0.155 0.000 0.981 18 R CB -0.101 30.117 30.300 -0.136 0.000 0.870 18 R HN 0.425 nan 8.270 nan 0.000 0.451 19 V N 0.202 119.921 119.914 -0.325 0.000 2.649 19 V HA -0.152 3.754 4.120 -0.357 0.000 0.248 19 V C 1.733 177.565 176.094 -0.437 0.000 1.054 19 V CA 1.161 63.265 62.300 -0.326 0.000 1.073 19 V CB -0.480 31.197 31.823 -0.244 0.000 0.699 19 V HN 0.288 nan 8.190 nan 0.000 0.463 20 F N 1.431 120.993 119.950 -0.646 0.000 2.146 20 F HA -0.157 4.158 4.527 -0.354 0.000 0.298 20 F C 2.414 177.942 175.800 -0.454 0.000 1.096 20 F CA 1.684 59.176 58.000 -0.846 0.000 1.275 20 F CB -0.395 38.253 39.000 -0.587 0.000 1.008 20 F HN 0.150 nan 8.300 nan 0.000 0.480 21 Q N -0.169 119.344 119.800 -0.479 0.000 2.152 21 Q HA -0.262 3.864 4.340 -0.357 0.000 0.206 21 Q C 2.167 177.904 176.000 -0.439 0.000 0.985 21 Q CA 1.793 57.327 55.803 -0.448 0.000 0.863 21 Q CB -0.319 28.295 28.738 -0.206 0.000 0.904 21 Q HN 0.483 nan 8.270 nan 0.000 0.422 22 Q N -0.120 119.460 119.800 -0.367 0.000 2.020 22 Q HA -0.131 3.995 4.340 -0.357 0.000 0.202 22 Q C 2.460 178.278 176.000 -0.302 0.000 0.982 22 Q CA 1.835 57.473 55.803 -0.274 0.000 0.838 22 Q CB -0.784 27.832 28.738 -0.203 0.000 0.899 22 Q HN 0.505 nan 8.270 nan 0.000 0.423 23 V N -1.279 118.402 119.914 -0.388 0.000 2.594 23 V HA -0.086 3.819 4.120 -0.357 0.000 0.253 23 V C 2.161 178.047 176.094 -0.347 0.000 1.069 23 V CA 1.641 63.763 62.300 -0.296 0.000 1.082 23 V CB -1.234 30.450 31.823 -0.231 0.000 0.680 23 V HN 0.196 nan 8.190 nan 0.000 0.469 24 A N 0.469 122.922 122.820 -0.612 0.000 1.825 24 A HA -0.188 3.917 4.320 -0.357 0.000 0.214 24 A C 2.203 179.616 177.584 -0.286 0.000 1.206 24 A CA 1.739 53.454 52.037 -0.537 0.000 0.609 24 A CB -0.847 17.647 19.000 -0.844 0.000 0.851 24 A HN 0.595 nan 8.150 nan 0.000 0.445 25 Q N -0.565 119.072 119.800 -0.272 0.000 2.449 25 Q HA -0.096 4.030 4.340 -0.357 0.000 0.214 25 Q C 1.648 177.574 176.000 -0.122 0.000 0.986 25 Q CA 0.931 56.638 55.803 -0.160 0.000 0.893 25 Q CB -0.385 28.266 28.738 -0.144 0.000 0.940 25 Q HN 0.662 nan 8.270 nan 0.000 0.477 26 A N -0.203 122.534 122.820 -0.138 0.000 2.348 26 A HA 0.179 4.285 4.320 -0.357 0.000 0.224 26 A C 0.560 178.103 177.584 -0.068 0.000 1.227 26 A CA -0.121 51.861 52.037 -0.093 0.000 0.885 26 A CB 0.719 19.663 19.000 -0.093 0.000 0.933 26 A HN 0.057 nan 8.150 nan 0.000 0.506 27 S N 0.322 115.977 115.700 -0.075 0.000 2.512 27 S HA 0.220 4.476 4.470 -0.357 0.000 0.161 27 S C -0.418 174.163 174.600 -0.032 0.000 1.383 27 S CA -0.780 57.395 58.200 -0.041 0.000 1.248 27 S CB 0.314 63.497 63.200 -0.029 0.000 1.488 27 S HN 0.406 nan 8.310 nan 0.000 0.382 28 K N 2.519 122.903 120.400 -0.027 0.000 2.485 28 K HA 0.096 4.202 4.320 -0.357 0.000 0.277 28 K C -0.344 176.258 176.600 0.003 0.000 0.990 28 K CA 0.694 56.973 56.287 -0.013 0.000 0.994 28 K CB -0.058 32.437 32.500 -0.009 0.000 0.906 28 K HN 0.317 nan 8.250 nan 0.000 0.488 29 D N 2.455 122.863 120.400 0.013 0.000 2.812 29 D HA -0.221 4.205 4.640 -0.357 0.000 0.237 29 D C -1.013 175.303 176.300 0.027 0.000 1.162 29 D CA 0.992 55.007 54.000 0.025 0.000 0.740 29 D CB -0.808 40.007 40.800 0.025 0.000 1.000 29 D HN 0.575 nan 8.370 nan 0.000 0.416 30 R N 0.080 120.596 120.500 0.026 0.000 2.563 30 R HA 0.280 4.406 4.340 -0.357 0.000 0.262 30 R C -0.738 175.584 176.300 0.036 0.000 1.128 30 R CA -0.927 55.190 56.100 0.030 0.000 0.969 30 R CB 0.974 31.289 30.300 0.024 0.000 1.251 30 R HN -0.120 nan 8.270 nan 0.000 0.442 31 N N 0.982 119.705 118.700 0.038 0.000 2.447 31 N HA 0.199 4.725 4.740 -0.357 0.000 0.263 31 N C -1.131 174.436 175.510 0.096 0.000 1.226 31 N CA 0.271 53.347 53.050 0.045 0.000 0.906 31 N CB 1.109 39.616 38.487 0.033 0.000 1.060 31 N HN 0.292 nan 8.380 nan 0.000 0.468 32 V N 3.706 123.705 119.914 0.141 0.000 2.697 32 V HA 0.418 4.324 4.120 -0.357 0.000 0.300 32 V C -1.275 175.001 176.094 0.303 0.000 1.115 32 V CA -0.600 61.832 62.300 0.219 0.000 0.912 32 V CB 1.599 33.547 31.823 0.208 0.000 1.024 32 V HN 0.269 nan 8.190 nan 0.000 0.431 33 V N 7.709 127.824 119.914 0.336 0.000 2.483 33 V HA 0.714 4.620 4.120 -0.357 0.000 0.295 33 V C -0.490 175.869 176.094 0.442 0.000 1.035 33 V CA -0.414 62.119 62.300 0.389 0.000 0.896 33 V CB 1.573 33.646 31.823 0.417 0.000 0.986 33 V HN 0.830 nan 8.190 nan 0.000 0.447 34 F N 2.741 122.809 119.950 0.197 0.000 2.645 34 F HA 0.649 5.257 4.527 0.135 0.000 0.310 34 F C -0.322 175.584 175.800 0.177 0.000 1.102 34 F CA -0.464 57.660 58.000 0.207 0.000 0.952 34 F CB 2.304 41.474 39.000 0.285 0.000 1.326 34 F HN 0.342 nan 8.300 nan 0.000 0.456 35 S N 4.840 120.393 115.700 -0.244 0.000 2.667 35 S HA 0.439 4.695 4.470 -0.357 0.000 0.304 35 S C -2.333 172.225 174.600 -0.070 0.000 1.135 35 S CA -1.561 56.563 58.200 -0.127 0.000 1.125 35 S CB 1.174 64.255 63.200 -0.197 0.000 0.996 35 S HN 0.436 nan 8.310 nan 0.000 0.474 36 P HA -0.142 nan 4.420 nan 0.000 0.215 36 P C 0.967 178.361 177.300 0.157 0.000 1.153 36 P CA 0.845 64.101 63.100 0.259 0.000 0.853 36 P CB -0.050 31.732 31.700 0.136 0.000 0.788 37 Y N 0.721 120.987 120.300 -0.056 0.000 2.097 37 Y HA -0.162 4.147 4.550 -0.401 0.000 0.282 37 Y C 2.430 178.322 175.900 -0.014 0.000 1.152 37 Y CA 2.133 60.202 58.100 -0.052 0.000 1.136 37 Y CB -1.246 37.116 38.460 -0.163 0.000 0.975 37 Y HN -0.139 nan 8.280 nan 0.000 0.498 38 G N -0.270 108.392 108.800 -0.231 0.000 2.514 38 G HA2 -0.320 3.426 3.960 -0.357 0.000 0.217 38 G HA3 -0.320 3.426 3.960 -0.357 0.000 0.217 38 G C 1.833 176.625 174.900 -0.180 0.000 1.198 38 G CA 1.460 46.396 45.100 -0.273 0.000 0.780 38 G HN 0.447 nan 8.290 nan 0.000 0.565 39 V N 1.280 121.140 119.914 -0.091 0.000 2.594 39 V HA 0.023 3.929 4.120 -0.357 0.000 0.253 39 V C 3.088 179.304 176.094 0.203 0.000 1.069 39 V CA 2.305 64.647 62.300 0.070 0.000 1.082 39 V CB -0.544 31.383 31.823 0.175 0.000 0.680 39 V HN 0.460 nan 8.190 nan 0.000 0.469 40 A N -1.064 121.867 122.820 0.185 0.000 1.930 40 A HA -0.174 3.932 4.320 -0.357 0.000 0.217 40 A C 2.523 180.129 177.584 0.036 0.000 1.175 40 A CA 2.133 54.332 52.037 0.269 0.000 0.627 40 A CB -0.824 18.335 19.000 0.265 0.000 0.815 40 A HN 0.580 nan 8.150 nan 0.000 0.443 41 S N -0.233 115.369 115.700 -0.164 0.000 2.335 41 S HA -0.150 4.106 4.470 -0.357 0.000 0.216 41 S C 2.121 176.618 174.600 -0.171 0.000 1.032 41 S CA 2.195 60.269 58.200 -0.211 0.000 1.000 41 S CB -0.975 61.992 63.200 -0.388 0.000 0.928 41 S HN 0.937 nan 8.310 nan 0.000 0.434 42 V N 1.517 121.351 119.914 -0.134 0.000 2.278 42 V HA -0.199 3.707 4.120 -0.357 0.000 0.251 42 V C 2.360 178.397 176.094 -0.094 0.000 1.062 42 V CA 2.239 64.476 62.300 -0.105 0.000 1.038 42 V CB -1.378 30.429 31.823 -0.026 0.000 0.646 42 V HN 0.549 nan 8.190 nan 0.000 0.447 43 L N 0.422 121.621 121.223 -0.040 0.000 2.201 43 L HA -0.008 4.118 4.340 -0.357 0.000 0.212 43 L C 2.944 179.728 176.870 -0.144 0.000 1.105 43 L CA 1.265 56.068 54.840 -0.062 0.000 0.775 43 L CB -0.816 41.219 42.059 -0.040 0.000 0.913 43 L HN 0.465 nan 8.230 nan 0.000 0.440 44 A N -0.266 122.465 122.820 -0.148 0.000 2.015 44 A HA -0.163 3.943 4.320 -0.357 0.000 0.219 44 A C 2.265 179.791 177.584 -0.096 0.000 1.163 44 A CA 1.386 53.360 52.037 -0.105 0.000 0.646 44 A CB -0.247 18.785 19.000 0.053 0.000 0.806 44 A HN 0.353 nan 8.150 nan 0.000 0.448 45 M N -1.689 117.695 119.600 -0.361 0.000 2.299 45 M HA 0.073 4.339 4.480 -0.357 0.000 0.264 45 M C 2.005 178.322 176.300 0.028 0.000 1.095 45 M CA 0.760 55.712 55.300 -0.580 0.000 1.165 45 M CB -0.318 31.793 32.600 -0.816 0.000 1.349 45 M HN 0.378 nan 8.290 nan 0.000 0.446 46 L N 1.111 122.339 121.223 0.008 0.000 2.351 46 L HA -0.211 3.915 4.340 -0.357 0.000 0.220 46 L C 2.271 179.204 176.870 0.105 0.000 1.127 46 L CA 1.797 56.699 54.840 0.104 0.000 0.786 46 L CB -0.632 41.467 42.059 0.068 0.000 0.914 46 L HN 0.343 nan 8.230 nan 0.000 0.443 47 Q N -1.364 118.461 119.800 0.041 0.000 2.050 47 Q HA -0.224 3.902 4.340 -0.357 0.000 0.202 47 Q C 2.168 178.220 176.000 0.087 0.000 0.980 47 Q CA 1.729 57.532 55.803 -0.001 0.000 0.840 47 Q CB -0.261 28.439 28.738 -0.063 0.000 0.898 47 Q HN 0.479 nan 8.270 nan 0.000 0.424 48 L N 0.613 121.972 121.223 0.226 0.000 2.131 48 L HA -0.158 3.968 4.340 -0.357 0.000 0.210 48 L C 2.472 179.616 176.870 0.456 0.000 1.092 48 L CA 2.199 57.219 54.840 0.301 0.000 0.759 48 L CB -0.682 41.587 42.059 0.350 0.000 0.903 48 L HN 0.341 nan 8.230 nan 0.000 0.435 49 T N -4.980 109.832 114.554 0.431 0.000 2.985 49 T HA -0.074 4.062 4.350 -0.357 0.000 0.266 49 T C 1.204 175.966 174.700 0.104 0.000 1.076 49 T CA 0.906 63.169 62.100 0.271 0.000 1.135 49 T CB -0.674 68.356 68.868 0.270 0.000 0.890 49 T HN 0.332 nan 8.240 nan 0.000 0.480 50 T N 0.906 115.424 114.554 -0.059 0.000 2.889 50 T HA 0.588 4.724 4.350 -0.357 0.000 0.291 50 T C 0.048 174.626 174.700 -0.202 0.000 0.995 50 T CA -0.188 61.672 62.100 -0.401 0.000 1.092 50 T CB 0.647 69.172 68.868 -0.572 0.000 0.954 50 T HN 0.592 nan 8.240 nan 0.000 0.506 51 G N 1.488 110.157 108.800 -0.219 0.000 2.605 51 G HA2 0.652 4.398 3.960 -0.357 0.000 0.296 51 G HA3 0.652 4.398 3.960 -0.357 0.000 0.296 51 G C 0.326 175.158 174.900 -0.114 0.000 1.304 51 G CA 0.062 45.096 45.100 -0.110 0.000 0.941 51 G HN 1.264 nan 8.290 nan 0.000 0.475 52 G N 0.370 109.129 108.800 -0.069 0.000 2.581 52 G HA2 -0.251 3.495 3.960 -0.357 0.000 0.291 52 G HA3 -0.251 3.495 3.960 -0.357 0.000 0.291 52 G C 1.083 175.939 174.900 -0.074 0.000 1.277 52 G CA 0.766 45.832 45.100 -0.057 0.000 0.959 52 G HN 0.864 nan 8.290 nan 0.000 0.554 53 E N -0.677 119.488 120.200 -0.058 0.000 2.237 53 E HA -0.321 3.815 4.350 -0.357 0.000 0.249 53 E C 2.611 179.164 176.600 -0.079 0.000 1.035 53 E CA 2.637 59.005 56.400 -0.053 0.000 0.992 53 E CB -1.597 28.081 29.700 -0.037 0.000 0.899 53 E HN 0.765 nan 8.360 nan 0.000 0.525 54 T N 1.740 116.225 114.554 -0.115 0.000 2.649 54 T HA -0.301 3.835 4.350 -0.357 0.000 0.268 54 T C 1.945 176.539 174.700 -0.177 0.000 1.036 54 T CA 2.261 64.264 62.100 -0.161 0.000 1.157 54 T CB -0.404 68.289 68.868 -0.292 0.000 0.861 54 T HN 0.363 nan 8.240 nan 0.000 0.445 55 Q N 0.672 120.355 119.800 -0.195 0.000 2.077 55 Q HA -0.248 3.878 4.340 -0.357 0.000 0.206 55 Q C 2.407 178.335 176.000 -0.119 0.000 0.989 55 Q CA 1.791 57.495 55.803 -0.166 0.000 0.853 55 Q CB -0.191 28.467 28.738 -0.133 0.000 0.907 55 Q HN 0.634 nan 8.270 nan 0.000 0.418 56 Q N -0.326 119.422 119.800 -0.087 0.000 2.124 56 Q HA -0.211 3.915 4.340 -0.357 0.000 0.202 56 Q C 2.225 178.191 176.000 -0.057 0.000 0.977 56 Q CA 1.574 57.339 55.803 -0.064 0.000 0.850 56 Q CB -0.017 28.696 28.738 -0.041 0.000 0.901 56 Q HN 0.530 nan 8.270 nan 0.000 0.429 57 Q N 0.424 120.194 119.800 -0.050 0.000 2.045 57 Q HA -0.205 3.921 4.340 -0.357 0.000 0.206 57 Q C 2.196 178.178 176.000 -0.030 0.000 0.991 57 Q CA 1.425 57.217 55.803 -0.020 0.000 0.851 57 Q CB -0.304 28.433 28.738 -0.002 0.000 0.911 57 Q HN 0.444 nan 8.270 nan 0.000 0.418 58 I N 0.835 121.361 120.570 -0.072 0.000 2.118 58 I HA -0.356 3.600 4.170 -0.357 0.000 0.241 58 I C 2.565 178.562 176.117 -0.199 0.000 1.070 58 I CA 1.566 62.792 61.300 -0.124 0.000 1.327 58 I CB -0.505 37.396 38.000 -0.165 0.000 1.034 58 I HN 0.317 nan 8.210 nan 0.000 0.405 59 Q N 0.665 120.351 119.800 -0.189 0.000 2.045 59 Q HA -0.246 3.880 4.340 -0.357 0.000 0.206 59 Q C 2.483 178.402 176.000 -0.134 0.000 0.991 59 Q CA 2.068 57.744 55.803 -0.212 0.000 0.851 59 Q CB -0.406 28.243 28.738 -0.147 0.000 0.911 59 Q HN 0.604 nan 8.270 nan 0.000 0.418 60 A N 1.240 124.023 122.820 -0.062 0.000 1.873 60 A HA -0.229 3.877 4.320 -0.357 0.000 0.218 60 A C 2.344 179.942 177.584 0.024 0.000 1.193 60 A CA 1.983 54.016 52.037 -0.006 0.000 0.629 60 A CB -1.103 17.902 19.000 0.008 0.000 0.826 60 A HN 0.449 nan 8.150 nan 0.000 0.447 61 A N -1.062 121.777 122.820 0.032 0.000 1.978 61 A HA -0.099 4.007 4.320 -0.357 0.000 0.220 61 A C 2.189 179.869 177.584 0.160 0.000 1.170 61 A CA 1.864 53.984 52.037 0.139 0.000 0.636 61 A CB -0.486 18.642 19.000 0.212 0.000 0.810 61 A HN 0.569 nan 8.150 nan 0.000 0.448 62 M N -2.337 117.179 119.600 -0.141 0.000 2.501 62 M HA 0.177 4.443 4.480 -0.357 0.000 0.261 62 M C 1.500 177.873 176.300 0.121 0.000 1.129 62 M CA 0.840 55.982 55.300 -0.264 0.000 1.126 62 M CB 0.294 32.417 32.600 -0.796 0.000 1.359 62 M HN 0.627 nan 8.290 nan 0.000 0.471 63 G N 2.125 110.984 108.800 0.097 0.000 2.157 63 G HA2 -0.275 3.471 3.960 -0.357 0.000 0.248 63 G HA3 -0.275 3.471 3.960 -0.357 0.000 0.248 63 G C -0.128 174.991 174.900 0.365 0.000 0.979 63 G CA 0.341 45.575 45.100 0.225 0.000 0.650 63 G HN 0.562 nan 8.290 nan 0.000 0.529 64 F N -1.905 118.056 119.950 0.018 0.000 2.688 64 F HA 0.726 5.033 4.527 -0.367 0.000 0.308 64 F C -0.835 174.969 175.800 0.007 0.000 1.117 64 F CA -2.289 55.737 58.000 0.043 0.000 0.976 64 F CB 0.697 39.755 39.000 0.097 0.000 1.291 64 F HN -0.020 nan 8.300 nan 0.000 0.439 65 K N 3.140 123.546 120.400 0.010 0.000 2.234 65 K HA 0.367 4.473 4.320 -0.357 0.000 0.277 65 K C 0.634 177.248 176.600 0.023 0.000 1.038 65 K CA -0.723 55.518 56.287 -0.076 0.000 0.888 65 K CB 2.296 34.786 32.500 -0.017 0.000 1.091 65 K HN 0.782 nan 8.250 nan 0.000 0.467 66 I N 2.361 122.899 120.570 -0.053 0.000 2.248 66 I HA -0.272 3.684 4.170 -0.357 0.000 0.248 66 I C 1.272 177.408 176.117 0.033 0.000 1.107 66 I CA 1.904 63.245 61.300 0.069 0.000 1.373 66 I CB -0.080 37.965 38.000 0.076 0.000 1.055 66 I HN 0.660 nan 8.210 nan 0.000 0.418 67 D N 0.319 120.722 120.400 0.004 0.000 2.363 67 D HA -0.050 4.376 4.640 -0.357 0.000 0.226 67 D C 0.130 176.443 176.300 0.021 0.000 1.020 67 D CA 0.217 54.219 54.000 0.002 0.000 0.892 67 D CB -0.197 40.618 40.800 0.027 0.000 0.900 67 D HN 0.368 nan 8.370 nan 0.000 0.531 68 D N 0.714 121.137 120.400 0.038 0.000 2.345 68 D HA 0.015 4.441 4.640 -0.357 0.000 0.247 68 D C 0.393 176.705 176.300 0.020 0.000 1.108 68 D CA -0.208 53.811 54.000 0.032 0.000 0.894 68 D CB 0.985 41.814 40.800 0.049 0.000 1.203 68 D HN -0.105 nan 8.370 nan 0.000 0.430 69 K N 0.455 120.855 120.400 -0.000 0.000 2.511 69 K HA 0.177 4.283 4.320 -0.357 0.000 0.280 69 K C 1.047 177.636 176.600 -0.017 0.000 1.008 69 K CA 1.022 57.301 56.287 -0.013 0.000 1.050 69 K CB 0.044 32.531 32.500 -0.021 0.000 0.889 69 K HN 0.599 nan 8.250 nan 0.000 0.484 70 G N 3.721 112.510 108.800 -0.018 0.000 2.358 70 G HA2 -0.313 3.433 3.960 -0.357 0.000 0.224 70 G HA3 -0.313 3.433 3.960 -0.357 0.000 0.224 70 G C 0.956 175.856 174.900 -0.000 0.000 1.073 70 G CA 0.334 45.422 45.100 -0.021 0.000 0.635 70 G HN 0.463 nan 8.290 nan 0.000 0.509 71 M N 1.171 120.790 119.600 0.031 0.000 2.200 71 M HA 0.076 4.342 4.480 -0.357 0.000 0.261 71 M C 3.107 179.451 176.300 0.072 0.000 1.074 71 M CA 2.787 58.136 55.300 0.082 0.000 1.098 71 M CB -1.909 30.813 32.600 0.203 0.000 1.268 71 M HN 0.876 nan 8.290 nan 0.000 0.432 72 A N 1.333 124.173 122.820 0.034 0.000 1.896 72 A HA -0.175 3.931 4.320 -0.357 0.000 0.220 72 A C -0.030 177.541 177.584 -0.021 0.000 1.206 72 A CA 2.471 54.485 52.037 -0.038 0.000 0.647 72 A CB -2.410 16.441 19.000 -0.248 0.000 0.828 72 A HN 0.473 nan 8.150 nan 0.000 0.455 73 P HA -0.151 nan 4.420 nan 0.000 0.218 73 P C 1.586 178.924 177.300 0.063 0.000 1.149 73 P CA 1.922 65.023 63.100 0.003 0.000 0.817 73 P CB -0.181 31.514 31.700 -0.008 0.000 0.785 74 A N 0.750 123.600 122.820 0.050 0.000 1.865 74 A HA -0.159 3.947 4.320 -0.357 0.000 0.217 74 A C 2.511 180.169 177.584 0.124 0.000 1.191 74 A CA 1.615 53.683 52.037 0.052 0.000 0.623 74 A CB -1.649 17.358 19.000 0.012 0.000 0.826 74 A HN 0.124 nan 8.150 nan 0.000 0.444 75 L N -1.032 120.270 121.223 0.133 0.000 2.042 75 L HA -0.230 3.896 4.340 -0.357 0.000 0.210 75 L C 2.894 179.904 176.870 0.234 0.000 1.076 75 L CA 1.556 56.515 54.840 0.199 0.000 0.749 75 L CB -0.585 41.602 42.059 0.215 0.000 0.893 75 L HN 0.386 nan 8.230 nan 0.000 0.432 76 R N -1.133 119.471 120.500 0.173 0.000 2.083 76 R HA -0.217 3.909 4.340 -0.357 0.000 0.237 76 R C 2.376 178.809 176.300 0.222 0.000 1.137 76 R CA 1.528 57.724 56.100 0.161 0.000 0.951 76 R CB -0.805 29.532 30.300 0.062 0.000 0.851 76 R HN 0.461 nan 8.270 nan 0.000 0.434 77 H N 1.576 120.706 119.070 0.101 0.000 2.251 77 H HA -0.181 4.159 4.556 -0.360 0.000 0.294 77 H C 2.071 177.458 175.328 0.099 0.000 1.078 77 H CA 2.084 58.185 56.048 0.088 0.000 1.246 77 H CB -0.361 29.439 29.762 0.063 0.000 1.358 77 H HN 0.124 nan 8.280 nan 0.000 0.488 78 L N 0.612 122.101 121.223 0.444 0.000 2.043 78 L HA -0.228 3.898 4.340 -0.357 0.000 0.212 78 L C 2.615 179.549 176.870 0.108 0.000 1.075 78 L CA 2.253 57.253 54.840 0.266 0.000 0.752 78 L CB -1.460 40.717 42.059 0.196 0.000 0.891 78 L HN 0.359 nan 8.230 nan 0.000 0.432 79 Y N 0.401 120.773 120.300 0.119 0.000 2.128 79 Y HA -0.319 4.010 4.550 -0.368 0.000 0.284 79 Y C 2.723 178.647 175.900 0.040 0.000 1.154 79 Y CA 2.535 60.705 58.100 0.117 0.000 1.149 79 Y CB -0.239 38.311 38.460 0.151 0.000 0.976 79 Y HN 0.289 nan 8.280 nan 0.000 0.505 80 K N 0.320 120.768 120.400 0.079 0.000 2.002 80 K HA -0.261 3.845 4.320 -0.357 0.000 0.209 80 K C 2.228 178.766 176.600 -0.103 0.000 1.048 80 K CA 1.859 58.133 56.287 -0.022 0.000 0.930 80 K CB -0.357 32.147 32.500 0.007 0.000 0.714 80 K HN 0.470 nan 8.250 nan 0.000 0.438 81 E N 0.385 120.528 120.200 -0.095 0.000 2.265 81 E HA -0.172 3.964 4.350 -0.357 0.000 0.196 81 E C 1.879 178.570 176.600 0.151 0.000 0.996 81 E CA 0.640 57.052 56.400 0.020 0.000 0.832 81 E CB 0.084 29.798 29.700 0.023 0.000 0.756 81 E HN 0.341 nan 8.360 nan 0.000 0.491 82 L N -0.223 120.951 121.223 -0.082 0.000 2.102 82 L HA -0.055 4.071 4.340 -0.357 0.000 0.202 82 L C 1.996 178.769 176.870 -0.163 0.000 1.076 82 L CA 0.461 55.282 54.840 -0.032 0.000 0.761 82 L CB -0.135 41.743 42.059 -0.303 0.000 0.921 82 L HN 0.201 nan 8.230 nan 0.000 0.444 83 M N 0.655 120.044 119.600 -0.353 0.000 2.654 83 M HA 0.126 4.392 4.480 -0.357 0.000 0.217 83 M C 1.159 177.273 176.300 -0.311 0.000 1.183 83 M CA -0.028 55.048 55.300 -0.373 0.000 0.991 83 M CB -1.695 30.664 32.600 -0.401 0.000 1.749 83 M HN 0.103 nan 8.290 nan 0.000 0.475 84 G N 1.885 110.520 108.800 -0.275 0.000 2.443 84 G HA2 0.079 3.825 3.960 -0.357 0.000 0.286 84 G HA3 0.079 3.825 3.960 -0.357 0.000 0.286 84 G C -1.622 173.081 174.900 -0.328 0.000 1.393 84 G CA -0.498 44.494 45.100 -0.179 0.000 1.080 84 G HN 0.241 nan 8.290 nan 0.000 0.566 85 P HA -0.003 nan 4.420 nan 0.000 0.217 85 P C 1.853 179.076 177.300 -0.128 0.000 1.154 85 P CA 1.372 64.412 63.100 -0.101 0.000 0.841 85 P CB -0.060 31.656 31.700 0.027 0.000 0.790 86 W N 0.677 121.998 121.300 0.034 0.000 2.342 86 W HA -0.146 4.292 4.660 -0.370 0.000 0.297 86 W C 1.383 178.006 176.519 0.174 0.000 1.213 86 W CA 0.803 58.183 57.345 0.059 0.000 1.251 86 W CB -2.225 27.225 29.460 -0.017 0.000 1.136 86 W HN -0.015 nan 8.180 nan 0.000 0.526 87 N N 2.405 120.197 118.700 -1.514 0.000 2.112 87 N HA -0.345 4.181 4.740 -0.357 0.000 0.200 87 N C 1.027 176.297 175.510 -0.401 0.000 1.011 87 N CA 3.251 55.492 53.050 -1.349 0.000 0.891 87 N CB -0.782 37.066 38.487 -1.064 0.000 1.060 87 N HN 0.305 nan 8.380 nan 0.000 0.478 88 K N -0.064 120.192 120.400 -0.241 0.000 3.077 88 K HA -0.243 3.863 4.320 -0.357 0.000 0.264 88 K C -0.917 175.607 176.600 -0.127 0.000 1.008 88 K CA 0.984 57.211 56.287 -0.101 0.000 0.740 88 K CB -1.357 31.156 32.500 0.022 0.000 1.273 88 K HN 0.449 nan 8.250 nan 0.000 0.477 89 D N -1.218 119.098 120.400 -0.141 0.000 3.012 89 D HA -0.192 4.234 4.640 -0.357 0.000 0.222 89 D C 0.360 176.614 176.300 -0.077 0.000 1.167 89 D CA 1.776 55.721 54.000 -0.093 0.000 0.854 89 D CB -0.567 40.188 40.800 -0.076 0.000 1.107 89 D HN 0.764 nan 8.370 nan 0.000 0.421 90 E N -0.491 119.634 120.200 -0.126 0.000 2.250 90 E HA 0.200 4.336 4.350 -0.357 0.000 0.192 90 E C 1.001 177.560 176.600 -0.070 0.000 0.986 90 E CA 0.437 56.719 56.400 -0.196 0.000 0.849 90 E CB 1.104 30.682 29.700 -0.203 0.000 0.797 90 E HN 0.503 nan 8.360 nan 0.000 0.482 91 I N 0.252 120.876 120.570 0.089 0.000 2.692 91 I HA 0.255 4.210 4.170 -0.357 0.000 0.293 91 I C -1.490 174.738 176.117 0.185 0.000 1.200 91 I CA -0.500 60.959 61.300 0.265 0.000 1.036 91 I CB 2.040 40.306 38.000 0.444 0.000 1.258 91 I HN -0.185 nan 8.210 nan 0.000 0.421 92 S N 4.080 119.947 115.700 0.279 0.000 2.566 92 S HA 0.773 5.029 4.470 -0.357 0.000 0.298 92 S C -0.701 174.068 174.600 0.281 0.000 1.083 92 S CA -0.522 57.816 58.200 0.230 0.000 0.978 92 S CB 2.049 65.389 63.200 0.234 0.000 1.073 92 S HN 0.722 nan 8.310 nan 0.000 0.491 93 T N 0.496 115.203 114.554 0.256 0.000 2.889 93 T HA 0.724 4.860 4.350 -0.357 0.000 0.315 93 T C -1.487 173.407 174.700 0.324 0.000 1.291 93 T CA -0.285 61.998 62.100 0.305 0.000 1.028 93 T CB 1.947 71.029 68.868 0.357 0.000 1.235 93 T HN 0.624 nan 8.240 nan 0.000 0.491 94 T N 2.553 117.277 114.554 0.283 0.000 2.977 94 T HA 0.535 4.671 4.350 -0.357 0.000 0.345 94 T C -2.086 172.750 174.700 0.226 0.000 1.562 94 T CA -0.531 61.739 62.100 0.284 0.000 1.090 94 T CB 1.405 70.441 68.868 0.279 0.000 1.383 94 T HN 0.745 nan 8.240 nan 0.000 0.484 95 D N 1.010 121.530 120.400 0.200 0.000 2.585 95 D HA 0.924 5.350 4.640 -0.357 0.000 0.254 95 D C -0.856 175.471 176.300 0.046 0.000 1.067 95 D CA -0.324 53.726 54.000 0.083 0.000 1.090 95 D CB 1.897 42.675 40.800 -0.037 0.000 1.408 95 D HN 0.851 nan 8.370 nan 0.000 0.554 96 A N 0.313 123.064 122.820 -0.115 0.000 2.449 96 A HA 0.433 4.538 4.320 -0.357 0.000 0.304 96 A C -1.849 175.511 177.584 -0.372 0.000 1.004 96 A CA -0.624 51.147 52.037 -0.443 0.000 0.871 96 A CB 0.079 18.587 19.000 -0.821 0.000 1.092 96 A HN 0.427 nan 8.150 nan 0.000 0.364 97 I N 2.226 122.472 120.570 -0.539 0.000 2.406 97 I HA 0.578 4.533 4.170 -0.357 0.000 0.290 97 I C -1.186 174.620 176.117 -0.518 0.000 0.999 97 I CA -0.488 60.613 61.300 -0.332 0.000 1.124 97 I CB 1.581 39.426 38.000 -0.259 0.000 1.289 97 I HN 0.527 nan 8.210 nan 0.000 0.441 98 F N 6.034 125.873 119.950 -0.185 0.000 2.444 98 F HA 0.621 4.929 4.527 -0.364 0.000 0.342 98 F C 0.038 175.818 175.800 -0.034 0.000 1.121 98 F CA -0.936 56.977 58.000 -0.145 0.000 0.997 98 F CB 1.693 40.650 39.000 -0.072 0.000 1.130 98 F HN 0.088 nan 8.300 nan 0.000 0.454 99 V N 2.951 122.885 119.914 0.033 0.000 2.914 99 V HA 0.478 4.384 4.120 -0.357 0.000 0.314 99 V C -0.781 175.319 176.094 0.009 0.000 1.084 99 V CA -0.857 61.463 62.300 0.033 0.000 0.963 99 V CB 2.039 33.784 31.823 -0.129 0.000 1.025 99 V HN 0.699 nan 8.190 nan 0.000 0.432 100 Q N 3.973 123.827 119.800 0.090 0.000 2.239 100 Q HA 0.057 4.183 4.340 -0.357 0.000 0.286 100 Q C 1.471 177.435 176.000 -0.061 0.000 1.102 100 Q CA 1.212 57.032 55.803 0.030 0.000 0.936 100 Q CB 0.631 29.421 28.738 0.087 0.000 1.127 100 Q HN 0.809 nan 8.270 nan 0.000 0.380 101 R N 3.847 124.284 120.500 -0.105 0.000 2.154 101 R HA -0.257 3.869 4.340 -0.357 0.000 0.236 101 R C 0.930 177.192 176.300 -0.062 0.000 1.121 101 R CA 2.105 58.150 56.100 -0.091 0.000 0.915 101 R CB -1.148 29.096 30.300 -0.093 0.000 0.856 101 R HN 0.770 nan 8.270 nan 0.000 0.431 102 D N 1.009 121.380 120.400 -0.048 0.000 2.421 102 D HA -0.151 4.275 4.640 -0.357 0.000 0.223 102 D C 0.037 176.316 176.300 -0.034 0.000 0.979 102 D CA 0.570 54.549 54.000 -0.035 0.000 0.959 102 D CB -0.258 40.528 40.800 -0.025 0.000 0.874 102 D HN 0.185 nan 8.370 nan 0.000 0.513 103 L N 1.134 122.331 121.223 -0.044 0.000 2.360 103 L HA 0.073 4.199 4.340 -0.357 0.000 0.276 103 L C 1.039 177.881 176.870 -0.046 0.000 1.121 103 L CA -0.143 54.668 54.840 -0.048 0.000 0.845 103 L CB 0.794 42.812 42.059 -0.068 0.000 1.143 103 L HN -0.116 nan 8.230 nan 0.000 0.452 104 K N 5.145 125.524 120.400 -0.035 0.000 2.062 104 K HA 0.095 4.201 4.320 -0.357 0.000 0.251 104 K C -0.561 176.018 176.600 -0.034 0.000 1.113 104 K CA -0.118 56.154 56.287 -0.025 0.000 1.096 104 K CB -0.379 32.111 32.500 -0.015 0.000 1.099 104 K HN 0.518 nan 8.250 nan 0.000 0.350 105 L N 4.363 125.563 121.223 -0.039 0.000 2.426 105 L HA 0.069 4.195 4.340 -0.357 0.000 0.271 105 L C 0.676 177.543 176.870 -0.004 0.000 1.169 105 L CA -0.779 54.028 54.840 -0.056 0.000 0.836 105 L CB 0.806 42.833 42.059 -0.053 0.000 1.112 105 L HN 0.337 nan 8.230 nan 0.000 0.465 106 V N 0.997 120.907 119.914 -0.008 0.000 2.644 106 V HA -0.044 3.862 4.120 -0.357 0.000 0.305 106 V C 0.477 176.642 176.094 0.119 0.000 1.053 106 V CA -0.491 61.842 62.300 0.055 0.000 1.186 106 V CB 0.282 32.147 31.823 0.070 0.000 0.895 106 V HN 0.966 nan 8.190 nan 0.000 0.490 107 Q N 3.976 123.829 119.800 0.087 0.000 2.398 107 Q HA 0.158 4.284 4.340 -0.357 0.000 0.329 107 Q C 1.298 177.369 176.000 0.119 0.000 1.079 107 Q CA 1.087 56.941 55.803 0.085 0.000 1.041 107 Q CB -0.181 28.590 28.738 0.055 0.000 1.084 107 Q HN 2.021 nan 8.270 nan 0.000 0.386 108 G N 3.989 112.857 108.800 0.112 0.000 2.168 108 G HA2 -0.342 3.404 3.960 -0.357 0.000 0.257 108 G HA3 -0.342 3.404 3.960 -0.357 0.000 0.257 108 G C 0.042 175.046 174.900 0.173 0.000 0.997 108 G CA 0.466 45.632 45.100 0.110 0.000 0.708 108 G HN 0.789 nan 8.290 nan 0.000 0.520 109 F N 0.480 120.492 119.950 0.102 0.000 2.074 109 F HA 0.119 4.431 4.527 -0.360 0.000 0.293 109 F C 2.678 178.590 175.800 0.186 0.000 1.116 109 F CA 2.071 60.162 58.000 0.151 0.000 1.212 109 F CB -0.201 38.857 39.000 0.097 0.000 0.998 109 F HN 0.147 nan 8.300 nan 0.000 0.471 110 M N 1.342 121.091 119.600 0.250 0.000 2.088 110 M HA -0.183 4.083 4.480 -0.357 0.000 0.256 110 M C -0.270 176.096 176.300 0.110 0.000 1.071 110 M CA 2.205 57.593 55.300 0.147 0.000 1.097 110 M CB -2.852 29.833 32.600 0.141 0.000 1.315 110 M HN 0.131 nan 8.290 nan 0.000 0.406 111 P HA -0.199 nan 4.420 nan 0.000 0.216 111 P C 1.522 178.916 177.300 0.156 0.000 1.150 111 P CA 1.702 64.865 63.100 0.105 0.000 0.837 111 P CB -0.424 31.309 31.700 0.055 0.000 0.786 112 H N -1.366 117.670 119.070 -0.058 0.000 2.299 112 H HA -0.138 4.205 4.556 -0.354 0.000 0.302 112 H C 2.118 177.342 175.328 -0.173 0.000 1.078 112 H CA 0.995 56.966 56.048 -0.128 0.000 1.323 112 H CB -0.428 29.222 29.762 -0.186 0.000 1.381 112 H HN -0.081 nan 8.280 nan 0.000 0.498 113 F N 0.836 120.537 119.950 -0.415 0.000 2.043 113 F HA -0.327 3.983 4.527 -0.361 0.000 0.297 113 F C 2.322 178.063 175.800 -0.098 0.000 1.118 113 F CA 2.017 59.790 58.000 -0.378 0.000 1.202 113 F CB -0.841 37.939 39.000 -0.367 0.000 0.965 113 F HN 0.220 nan 8.300 nan 0.000 0.482 114 F N 1.077 121.085 119.950 0.097 0.000 2.250 114 F HA -0.194 4.120 4.527 -0.355 0.000 0.301 114 F C 2.568 178.323 175.800 -0.074 0.000 1.077 114 F CA 1.809 59.838 58.000 0.048 0.000 1.348 114 F CB -0.520 38.533 39.000 0.089 0.000 1.040 114 F HN -0.057 nan 8.300 nan 0.000 0.509 115 R N -0.042 120.472 120.500 0.023 0.000 2.070 115 R HA -0.178 3.948 4.340 -0.357 0.000 0.232 115 R C 1.986 178.113 176.300 -0.289 0.000 1.138 115 R CA 2.128 58.193 56.100 -0.058 0.000 0.936 115 R CB -0.467 29.864 30.300 0.051 0.000 0.839 115 R HN 0.318 nan 8.270 nan 0.000 0.429 116 L N -0.614 120.317 121.223 -0.486 0.000 2.131 116 L HA -0.025 4.100 4.340 -0.357 0.000 0.206 116 L C 1.559 177.910 176.870 -0.864 0.000 1.087 116 L CA 1.509 55.888 54.840 -0.769 0.000 0.767 116 L CB -0.287 41.038 42.059 -1.222 0.000 0.917 116 L HN 0.154 nan 8.230 nan 0.000 0.441 117 F N -1.528 118.106 119.950 -0.525 0.000 2.678 117 F HA 0.293 4.611 4.527 -0.349 0.000 0.305 117 F C 0.858 176.380 175.800 -0.465 0.000 1.090 117 F CA -0.625 57.070 58.000 -0.509 0.000 1.272 117 F CB -0.038 38.530 39.000 -0.721 0.000 1.060 117 F HN -0.135 nan 8.300 nan 0.000 0.576 118 R N 0.247 120.438 120.500 -0.513 0.000 3.847 118 R HA -0.185 3.941 4.340 -0.357 0.000 0.304 118 R C -0.337 175.744 176.300 -0.365 0.000 1.203 118 R CA 0.808 56.462 56.100 -0.744 0.000 0.835 118 R CB -2.609 27.451 30.300 -0.400 0.000 1.253 118 R HN 0.311 nan 8.270 nan 0.000 0.516 119 S N -1.112 114.541 115.700 -0.077 0.000 2.704 119 S HA 0.710 4.966 4.470 -0.357 0.000 0.296 119 S C -0.024 174.891 174.600 0.525 0.000 1.138 119 S CA -0.307 58.040 58.200 0.244 0.000 0.875 119 S CB 2.746 66.072 63.200 0.210 0.000 1.151 119 S HN 0.255 nan 8.310 nan 0.000 0.500 120 T N -1.416 113.360 114.554 0.371 0.000 2.900 120 T HA 0.587 4.723 4.350 -0.357 0.000 0.295 120 T C -0.703 173.909 174.700 -0.146 0.000 1.044 120 T CA -0.698 61.534 62.100 0.220 0.000 0.995 120 T CB 1.062 70.012 68.868 0.137 0.000 1.072 120 T HN 0.281 nan 8.240 nan 0.000 0.473 121 V N 4.369 124.042 119.914 -0.401 0.000 2.403 121 V HA 0.149 4.055 4.120 -0.357 0.000 0.265 121 V C 0.606 176.445 176.094 -0.425 0.000 1.034 121 V CA -0.593 61.380 62.300 -0.546 0.000 1.036 121 V CB -0.555 30.941 31.823 -0.544 0.000 1.032 121 V HN 0.723 nan 8.190 nan 0.000 0.478 122 K N 5.181 125.218 120.400 -0.605 0.000 2.511 122 K HA 0.065 4.171 4.320 -0.357 0.000 0.280 122 K C 0.026 176.414 176.600 -0.353 0.000 1.008 122 K CA 0.421 56.357 56.287 -0.586 0.000 1.050 122 K CB 0.254 32.067 32.500 -1.145 0.000 0.889 122 K HN 0.645 nan 8.250 nan 0.000 0.484 123 Q N 1.833 121.495 119.800 -0.229 0.000 2.372 123 Q HA 0.320 4.446 4.340 -0.357 0.000 0.259 123 Q C -0.186 175.705 176.000 -0.182 0.000 0.993 123 Q CA -0.703 54.994 55.803 -0.176 0.000 0.854 123 Q CB 1.492 30.149 28.738 -0.135 0.000 1.231 123 Q HN 0.503 nan 8.270 nan 0.000 0.462 124 V N -1.062 118.683 119.914 -0.282 0.000 3.046 124 V HA 0.552 4.458 4.120 -0.357 0.000 0.316 124 V C -0.738 175.077 176.094 -0.466 0.000 1.104 124 V CA -1.096 60.978 62.300 -0.377 0.000 1.006 124 V CB 2.275 33.789 31.823 -0.516 0.000 1.058 124 V HN 0.548 nan 8.190 nan 0.000 0.440 125 D N 1.147 121.343 120.400 -0.340 0.000 2.467 125 D HA 0.367 4.793 4.640 -0.357 0.000 0.220 125 D C 0.260 176.440 176.300 -0.200 0.000 1.103 125 D CA -0.599 53.272 54.000 -0.216 0.000 0.886 125 D CB 0.414 41.153 40.800 -0.101 0.000 1.025 125 D HN 0.445 nan 8.370 nan 0.000 0.514 126 F N 1.567 121.492 119.950 -0.042 0.000 2.724 126 F HA -0.043 4.268 4.527 -0.359 0.000 0.297 126 F C 2.304 178.083 175.800 -0.036 0.000 1.200 126 F CA 0.273 58.244 58.000 -0.049 0.000 1.468 126 F CB -0.248 38.709 39.000 -0.071 0.000 1.116 126 F HN 0.292 nan 8.300 nan 0.000 0.599 127 S N -1.198 114.561 115.700 0.098 0.000 2.436 127 S HA -0.038 4.218 4.470 -0.357 0.000 0.228 127 S C 1.046 175.675 174.600 0.049 0.000 1.014 127 S CA 0.576 58.813 58.200 0.062 0.000 0.950 127 S CB -0.062 63.157 63.200 0.032 0.000 0.784 127 S HN 0.205 nan 8.310 nan 0.000 0.504 128 E N 2.166 122.387 120.200 0.036 0.000 2.201 128 E HA 0.191 4.327 4.350 -0.357 0.000 0.272 128 E C 0.976 177.609 176.600 0.054 0.000 1.228 128 E CA -0.145 56.275 56.400 0.032 0.000 1.305 128 E CB 0.320 30.028 29.700 0.013 0.000 1.381 128 E HN 0.114 nan 8.360 nan 0.000 0.475 129 V N 1.160 121.116 119.914 0.070 0.000 2.278 129 V HA -0.304 3.602 4.120 -0.357 0.000 0.251 129 V C 2.278 178.418 176.094 0.075 0.000 1.062 129 V CA 1.767 64.118 62.300 0.084 0.000 1.038 129 V CB -0.159 31.700 31.823 0.061 0.000 0.646 129 V HN 0.400 nan 8.190 nan 0.000 0.447 130 E N -0.294 119.942 120.200 0.060 0.000 2.077 130 E HA -0.212 3.924 4.350 -0.357 0.000 0.193 130 E C 2.329 178.989 176.600 0.100 0.000 0.989 130 E CA 1.311 57.749 56.400 0.064 0.000 0.800 130 E CB -0.272 29.450 29.700 0.037 0.000 0.746 130 E HN 0.463 nan 8.360 nan 0.000 0.452 131 R N 0.927 121.484 120.500 0.095 0.000 2.062 131 R HA -0.004 4.122 4.340 -0.357 0.000 0.231 131 R C 2.132 178.513 176.300 0.135 0.000 1.136 131 R CA 1.904 58.092 56.100 0.145 0.000 0.948 131 R CB -0.960 29.393 30.300 0.087 0.000 0.845 131 R HN 0.097 nan 8.270 nan 0.000 0.430 132 A N 0.886 123.729 122.820 0.039 0.000 1.865 132 A HA -0.216 3.890 4.320 -0.357 0.000 0.217 132 A C 2.277 179.848 177.584 -0.022 0.000 1.191 132 A CA 1.872 53.880 52.037 -0.050 0.000 0.623 132 A CB -0.772 18.187 19.000 -0.069 0.000 0.826 132 A HN 0.458 nan 8.150 nan 0.000 0.444 133 R N -1.768 118.763 120.500 0.052 0.000 2.154 133 R HA -0.221 3.905 4.340 -0.357 0.000 0.248 133 R C 1.873 178.201 176.300 0.047 0.000 1.155 133 R CA 2.146 58.263 56.100 0.029 0.000 0.979 133 R CB -0.414 29.924 30.300 0.062 0.000 0.869 133 R HN 0.573 nan 8.270 nan 0.000 0.452 134 F N 0.720 120.643 119.950 -0.045 0.000 2.179 134 F HA 0.047 4.360 4.527 -0.356 0.000 0.292 134 F C 1.810 177.603 175.800 -0.012 0.000 1.089 134 F CA 0.858 58.846 58.000 -0.019 0.000 1.295 134 F CB -0.459 38.547 39.000 0.011 0.000 1.041 134 F HN -0.083 nan 8.300 nan 0.000 0.487 135 I N 0.530 120.916 120.570 -0.307 0.000 2.185 135 I HA -0.378 3.578 4.170 -0.357 0.000 0.246 135 I C 2.449 178.433 176.117 -0.222 0.000 1.088 135 I CA 1.772 62.859 61.300 -0.355 0.000 1.347 135 I CB -0.574 37.334 38.000 -0.153 0.000 1.041 135 I HN 0.209 nan 8.210 nan 0.000 0.415 136 I N 0.640 121.028 120.570 -0.304 0.000 2.113 136 I HA -0.317 3.639 4.170 -0.357 0.000 0.238 136 I C 2.188 178.234 176.117 -0.118 0.000 1.070 136 I CA 1.921 62.965 61.300 -0.426 0.000 1.332 136 I CB -0.654 36.973 38.000 -0.621 0.000 1.044 136 I HN 0.309 nan 8.210 nan 0.000 0.402 137 N N 0.580 119.202 118.700 -0.129 0.000 2.061 137 N HA -0.275 4.251 4.740 -0.357 0.000 0.193 137 N C 1.448 176.972 175.510 0.023 0.000 1.030 137 N CA 1.724 54.746 53.050 -0.046 0.000 0.856 137 N CB -0.267 38.193 38.487 -0.045 0.000 1.023 137 N HN 0.345 nan 8.380 nan 0.000 0.424 138 D N 0.442 120.779 120.400 -0.105 0.000 2.221 138 D HA -0.186 4.240 4.640 -0.357 0.000 0.204 138 D C 1.609 177.935 176.300 0.042 0.000 0.982 138 D CA 0.715 54.644 54.000 -0.119 0.000 0.857 138 D CB -0.020 40.430 40.800 -0.584 0.000 0.934 138 D HN 0.394 nan 8.370 nan 0.000 0.475 139 W N 0.506 121.769 121.300 -0.061 0.000 2.407 139 W HA -0.123 4.315 4.660 -0.370 0.000 0.305 139 W C 1.534 178.072 176.519 0.032 0.000 1.196 139 W CA 0.697 58.044 57.345 0.003 0.000 1.311 139 W CB -0.471 29.012 29.460 0.037 0.000 1.135 139 W HN -0.154 nan 8.180 nan 0.000 0.514 140 V N 1.848 121.900 119.914 0.230 0.000 2.594 140 V HA -0.302 3.604 4.120 -0.357 0.000 0.253 140 V C 2.476 178.612 176.094 0.071 0.000 1.069 140 V CA 2.344 64.735 62.300 0.151 0.000 1.082 140 V CB -0.973 30.954 31.823 0.173 0.000 0.680 140 V HN 0.165 nan 8.190 nan 0.000 0.469 141 K N 0.868 121.306 120.400 0.064 0.000 2.021 141 K HA -0.152 3.954 4.320 -0.357 0.000 0.205 141 K C 2.161 178.763 176.600 0.004 0.000 1.047 141 K CA 1.804 58.117 56.287 0.044 0.000 0.943 141 K CB -0.319 32.220 32.500 0.066 0.000 0.725 141 K HN 0.598 nan 8.250 nan 0.000 0.439 142 T N -1.767 112.788 114.554 0.001 0.000 3.098 142 T HA -0.056 4.080 4.350 -0.357 0.000 0.266 142 T C 0.835 175.403 174.700 -0.221 0.000 1.145 142 T CA 0.986 63.037 62.100 -0.082 0.000 1.092 142 T CB -0.288 68.522 68.868 -0.096 0.000 0.908 142 T HN 0.352 nan 8.240 nan 0.000 0.526 143 H N 0.468 119.353 119.070 -0.309 0.000 2.986 143 H HA 0.264 4.605 4.556 -0.358 0.000 0.267 143 H C 1.798 177.066 175.328 -0.100 0.000 1.072 143 H CA 0.750 56.634 56.048 -0.272 0.000 1.202 143 H CB 0.529 30.015 29.762 -0.460 0.000 1.535 143 H HN 0.547 nan 8.280 nan 0.000 0.522 144 T N -1.312 113.268 114.554 0.043 0.000 3.214 144 T HA 0.158 4.294 4.350 -0.357 0.000 0.264 144 T C 0.390 175.074 174.700 -0.028 0.000 1.012 144 T CA -0.561 61.576 62.100 0.062 0.000 0.901 144 T CB -0.034 68.890 68.868 0.094 0.000 1.070 144 T HN -0.009 nan 8.240 nan 0.000 0.561 145 K N 0.664 121.027 120.400 -0.062 0.000 3.160 145 K HA -0.210 3.896 4.320 -0.357 0.000 0.280 145 K C 1.289 177.813 176.600 -0.126 0.000 1.154 145 K CA 0.810 57.034 56.287 -0.105 0.000 0.822 145 K CB -2.281 30.147 32.500 -0.120 0.000 1.239 145 K HN 1.139 nan 8.250 nan 0.000 0.489 146 G N -0.081 108.667 108.800 -0.087 0.000 2.189 146 G HA2 -0.394 3.352 3.960 -0.357 0.000 0.267 146 G HA3 -0.394 3.352 3.960 -0.357 0.000 0.267 146 G C 0.886 175.723 174.900 -0.106 0.000 0.975 146 G CA 0.669 45.726 45.100 -0.073 0.000 0.644 146 G HN 0.239 nan 8.290 nan 0.000 0.537 147 M N -0.258 119.227 119.600 -0.192 0.000 2.394 147 M HA 0.292 4.558 4.480 -0.357 0.000 0.264 147 M C 1.276 177.529 176.300 -0.077 0.000 1.073 147 M CA 0.985 56.115 55.300 -0.283 0.000 1.111 147 M CB -0.353 31.781 32.600 -0.776 0.000 1.401 147 M HN 0.394 nan 8.290 nan 0.000 0.448 148 I N 0.412 120.984 120.570 0.003 0.000 2.563 148 I HA 0.090 4.046 4.170 -0.357 0.000 0.276 148 I C 0.744 176.912 176.117 0.086 0.000 1.074 148 I CA -0.222 61.124 61.300 0.078 0.000 1.124 148 I CB 1.179 39.254 38.000 0.125 0.000 1.225 148 I HN 0.035 nan 8.210 nan 0.000 0.482 149 S N 2.767 118.525 115.700 0.097 0.000 2.548 149 S HA 0.137 4.393 4.470 -0.357 0.000 0.215 149 S C 0.453 175.175 174.600 0.204 0.000 0.976 149 S CA 0.241 58.516 58.200 0.126 0.000 0.908 149 S CB 0.044 63.308 63.200 0.107 0.000 0.781 149 S HN 0.679 nan 8.310 nan 0.000 0.519 150 H N -0.205 118.913 119.070 0.079 0.000 3.086 150 H HA 0.473 4.814 4.556 -0.358 0.000 0.353 150 H C -2.070 173.303 175.328 0.075 0.000 1.134 150 H CA -0.723 55.374 56.048 0.082 0.000 1.248 150 H CB 1.291 31.098 29.762 0.075 0.000 1.878 150 H HN 0.166 nan 8.280 nan 0.000 0.527 151 L N 5.512 126.692 121.223 -0.072 0.000 2.313 151 L HA 0.159 4.285 4.340 -0.357 0.000 0.283 151 L C 0.980 177.896 176.870 0.076 0.000 1.013 151 L CA -0.828 54.040 54.840 0.046 0.000 0.816 151 L CB 1.668 43.717 42.059 -0.017 0.000 1.236 151 L HN 0.477 nan 8.230 nan 0.000 0.419 152 L N 2.862 124.216 121.223 0.219 0.000 2.191 152 L HA -0.055 4.071 4.340 -0.357 0.000 0.212 152 L C 2.383 179.321 176.870 0.115 0.000 1.103 152 L CA 1.643 56.617 54.840 0.223 0.000 0.769 152 L CB -0.838 41.314 42.059 0.156 0.000 0.908 152 L HN 0.846 nan 8.230 nan 0.000 0.438 153 G N -0.685 108.153 108.800 0.063 0.000 2.440 153 G HA2 -0.324 3.422 3.960 -0.357 0.000 0.218 153 G HA3 -0.324 3.422 3.960 -0.357 0.000 0.218 153 G C 1.643 176.540 174.900 -0.004 0.000 1.154 153 G CA 1.421 46.538 45.100 0.029 0.000 0.767 153 G HN 0.470 nan 8.290 nan 0.000 0.552 154 T N -0.825 113.702 114.554 -0.045 0.000 2.869 154 T HA -0.036 4.100 4.350 -0.357 0.000 0.270 154 T C 2.373 177.063 174.700 -0.018 0.000 1.082 154 T CA 1.524 63.581 62.100 -0.073 0.000 1.123 154 T CB -0.727 68.049 68.868 -0.152 0.000 0.856 154 T HN 0.306 nan 8.240 nan 0.000 0.499 155 G N 0.995 109.815 108.800 0.033 0.000 2.537 155 G HA2 0.069 3.815 3.960 -0.357 0.000 0.220 155 G HA3 0.069 3.815 3.960 -0.357 0.000 0.220 155 G C 1.395 176.310 174.900 0.025 0.000 1.111 155 G CA 0.596 45.731 45.100 0.059 0.000 0.748 155 G HN 0.854 nan 8.290 nan 0.000 0.564 156 A N -0.250 122.570 122.820 0.001 0.000 2.390 156 A HA 0.522 4.628 4.320 -0.357 0.000 0.232 156 A C 0.971 178.524 177.584 -0.051 0.000 1.233 156 A CA 0.376 52.402 52.037 -0.017 0.000 0.907 156 A CB 0.070 19.061 19.000 -0.015 0.000 0.967 156 A HN 0.704 nan 8.150 nan 0.000 0.512 157 V N 0.384 120.262 119.914 -0.059 0.000 2.614 157 V HA 0.536 4.441 4.120 -0.357 0.000 0.291 157 V C -0.567 175.494 176.094 -0.055 0.000 1.049 157 V CA -0.359 61.877 62.300 -0.107 0.000 1.038 157 V CB 0.844 32.630 31.823 -0.062 0.000 0.980 157 V HN 0.472 nan 8.190 nan 0.000 0.481 158 D N 2.792 123.137 120.400 -0.090 0.000 2.664 158 D HA 0.168 4.594 4.640 -0.357 0.000 0.292 158 D C 0.750 177.037 176.300 -0.022 0.000 1.214 158 D CA -0.183 53.799 54.000 -0.030 0.000 0.932 158 D CB 1.584 42.365 40.800 -0.032 0.000 1.420 158 D HN 0.549 nan 8.370 nan 0.000 0.471 159 Q N -0.402 119.405 119.800 0.012 0.000 2.376 159 Q HA -0.093 4.033 4.340 -0.357 0.000 0.211 159 Q C 1.517 177.517 176.000 -0.000 0.000 0.986 159 Q CA 1.342 57.165 55.803 0.032 0.000 0.886 159 Q CB -0.359 28.395 28.738 0.027 0.000 0.927 159 Q HN 0.464 nan 8.270 nan 0.000 0.457 160 L N 1.067 122.259 121.223 -0.050 0.000 2.567 160 L HA 0.139 4.265 4.340 -0.357 0.000 0.225 160 L C 0.473 177.237 176.870 -0.177 0.000 1.119 160 L CA -0.234 54.559 54.840 -0.078 0.000 0.871 160 L CB -0.043 41.982 42.059 -0.056 0.000 1.036 160 L HN 0.076 nan 8.230 nan 0.000 0.459 161 T N 0.354 114.733 114.554 -0.292 0.000 2.946 161 T HA 0.051 4.187 4.350 -0.357 0.000 0.311 161 T C 1.074 175.430 174.700 -0.573 0.000 1.063 161 T CA 0.124 61.858 62.100 -0.610 0.000 1.139 161 T CB 1.435 69.598 68.868 -1.175 0.000 0.994 161 T HN 0.168 nan 8.240 nan 0.000 0.547 162 R N 0.728 120.895 120.500 -0.555 0.000 2.437 162 R HA 0.321 4.447 4.340 -0.357 0.000 0.184 162 R C -0.476 175.674 176.300 -0.249 0.000 0.850 162 R CA -0.029 55.884 56.100 -0.311 0.000 1.073 162 R CB -0.113 29.972 30.300 -0.359 0.000 1.336 162 R HN 0.433 nan 8.270 nan 0.000 0.640 163 L N 1.266 122.241 121.223 -0.413 0.000 2.406 163 L HA 0.519 4.645 4.340 -0.357 0.000 0.272 163 L C -1.362 175.346 176.870 -0.271 0.000 0.980 163 L CA -0.758 53.886 54.840 -0.328 0.000 0.831 163 L CB 2.173 43.900 42.059 -0.554 0.000 1.253 163 L HN -0.234 nan 8.230 nan 0.000 0.406 164 V N 5.546 125.412 119.914 -0.080 0.000 2.680 164 V HA 0.566 4.472 4.120 -0.357 0.000 0.309 164 V C -0.556 175.587 176.094 0.082 0.000 1.052 164 V CA -0.695 61.595 62.300 -0.016 0.000 0.908 164 V CB 1.989 33.824 31.823 0.020 0.000 1.001 164 V HN 0.734 nan 8.190 nan 0.000 0.431 165 L N 4.801 126.057 121.223 0.055 0.000 2.362 165 L HA 0.927 5.053 4.340 -0.357 0.000 0.271 165 L C -1.460 175.469 176.870 0.098 0.000 1.002 165 L CA -0.399 54.483 54.840 0.070 0.000 0.818 165 L CB 2.008 44.092 42.059 0.041 0.000 1.298 165 L HN 0.509 nan 8.230 nan 0.000 0.420 166 V N 3.134 123.115 119.914 0.111 0.000 3.012 166 V HA 0.534 4.440 4.120 -0.357 0.000 0.307 166 V C -1.256 174.902 176.094 0.106 0.000 1.166 166 V CA -0.733 61.639 62.300 0.120 0.000 0.974 166 V CB 2.276 34.204 31.823 0.175 0.000 1.040 166 V HN 0.832 nan 8.190 nan 0.000 0.428 167 N N 1.817 120.577 118.700 0.099 0.000 2.397 167 N HA 0.791 5.317 4.740 -0.357 0.000 0.291 167 N C -1.119 174.456 175.510 0.107 0.000 1.065 167 N CA 0.053 53.155 53.050 0.086 0.000 0.884 167 N CB 2.133 40.633 38.487 0.021 0.000 1.551 167 N HN 1.118 nan 8.380 nan 0.000 0.487 168 A N 3.028 125.939 122.820 0.152 0.000 2.422 168 A HA 0.825 4.931 4.320 -0.357 0.000 0.302 168 A C -1.576 176.141 177.584 0.221 0.000 1.041 168 A CA -0.512 51.630 52.037 0.176 0.000 0.708 168 A CB 0.878 19.989 19.000 0.184 0.000 1.257 168 A HN 0.553 nan 8.150 nan 0.000 0.414 169 L N 1.204 122.586 121.223 0.265 0.000 2.424 169 L HA 0.612 4.738 4.340 -0.357 0.000 0.258 169 L C -1.297 175.798 176.870 0.375 0.000 0.995 169 L CA -0.814 54.246 54.840 0.367 0.000 0.821 169 L CB 2.319 44.683 42.059 0.509 0.000 1.383 169 L HN 0.819 nan 8.230 nan 0.000 0.410 170 Y N 2.044 122.483 120.300 0.232 0.000 2.421 170 Y HA 0.698 5.036 4.550 -0.354 0.000 0.339 170 Y C -1.906 174.057 175.900 0.104 0.000 0.996 170 Y CA -1.069 57.094 58.100 0.105 0.000 1.046 170 Y CB 1.865 40.358 38.460 0.056 0.000 1.226 170 Y HN 0.421 nan 8.280 nan 0.000 0.445 171 F N 6.671 125.931 119.950 -1.148 0.000 2.581 171 F HA 0.498 4.819 4.527 -0.343 0.000 0.311 171 F C -1.446 173.734 175.800 -1.032 0.000 1.113 171 F CA -0.755 56.646 58.000 -0.997 0.000 0.935 171 F CB 1.738 40.097 39.000 -1.069 0.000 1.232 171 F HN 0.683 nan 8.300 nan 0.000 0.445 172 N N 4.108 121.782 118.700 -1.710 0.000 2.785 172 N HA 0.259 4.785 4.740 -0.357 0.000 0.224 172 N C -0.474 174.263 175.510 -1.288 0.000 1.448 172 N CA -0.352 51.929 53.050 -1.281 0.000 0.748 172 N CB 0.545 38.629 38.487 -0.672 0.000 1.385 172 N HN 0.904 nan 8.380 nan 0.000 0.538 173 G N 0.850 108.484 108.800 -1.943 0.000 2.664 173 G HA2 0.085 3.831 3.960 -0.357 0.000 0.242 173 G HA3 0.085 3.831 3.960 -0.357 0.000 0.242 173 G C -0.310 174.191 174.900 -0.665 0.000 1.225 173 G CA -0.027 44.302 45.100 -1.286 0.000 0.849 173 G HN 0.528 nan 8.290 nan 0.000 0.581 174 Q N -0.004 119.566 119.800 -0.383 0.000 2.340 174 Q HA 0.170 4.296 4.340 -0.357 0.000 0.259 174 Q C -0.681 175.399 176.000 0.133 0.000 0.964 174 Q CA -0.339 55.335 55.803 -0.215 0.000 0.900 174 Q CB 1.508 30.047 28.738 -0.332 0.000 1.228 174 Q HN 0.610 nan 8.270 nan 0.000 0.449 175 W N 2.500 123.942 121.300 0.236 0.000 2.209 175 W HA -0.045 4.403 4.660 -0.353 0.000 0.344 175 W C 1.550 178.153 176.519 0.140 0.000 1.285 175 W CA -0.122 57.319 57.345 0.160 0.000 1.267 175 W CB 0.631 30.166 29.460 0.126 0.000 1.167 175 W HN 0.661 nan 8.180 nan 0.000 0.574 176 K N 0.492 121.148 120.400 0.426 0.000 2.025 176 K HA -0.079 4.027 4.320 -0.357 0.000 0.207 176 K C 0.291 176.979 176.600 0.147 0.000 1.049 176 K CA 1.179 57.616 56.287 0.251 0.000 0.933 176 K CB -0.080 32.519 32.500 0.164 0.000 0.714 176 K HN 0.334 nan 8.250 nan 0.000 0.438 177 T N 3.766 118.362 114.554 0.071 0.000 2.963 177 T HA 0.335 4.471 4.350 -0.357 0.000 0.343 177 T C -2.664 171.997 174.700 -0.064 0.000 1.146 177 T CA -1.564 60.499 62.100 -0.062 0.000 1.016 177 T CB 1.710 70.434 68.868 -0.239 0.000 1.046 177 T HN 0.080 nan 8.240 nan 0.000 0.496 178 P HA 0.212 nan 4.420 nan 0.000 0.269 178 P C -0.513 176.817 177.300 0.049 0.000 1.209 178 P CA -0.465 62.749 63.100 0.191 0.000 0.776 178 P CB 0.328 32.145 31.700 0.196 0.000 0.876 179 F N 3.002 122.923 119.950 -0.047 0.000 2.427 179 F HA 0.270 4.583 4.527 -0.356 0.000 0.352 179 F C -1.606 174.179 175.800 -0.026 0.000 1.100 179 F CA -2.036 55.922 58.000 -0.071 0.000 1.191 179 F CB -0.413 38.533 39.000 -0.090 0.000 1.128 179 F HN 0.186 nan 8.300 nan 0.000 0.533 180 P HA 0.015 nan 4.420 nan 0.000 0.267 180 P C 0.310 177.652 177.300 0.070 0.000 1.205 180 P CA 0.122 63.254 63.100 0.053 0.000 0.765 180 P CB 0.719 32.420 31.700 0.003 0.000 0.828 181 D N 1.398 121.831 120.400 0.055 0.000 2.117 181 D HA -0.121 4.305 4.640 -0.357 0.000 0.197 181 D C 1.381 177.693 176.300 0.019 0.000 0.987 181 D CA 1.585 55.611 54.000 0.042 0.000 0.829 181 D CB -0.315 40.505 40.800 0.034 0.000 0.961 181 D HN 0.410 nan 8.370 nan 0.000 0.460 182 S N -0.185 115.520 115.700 0.009 0.000 2.795 182 S HA 0.008 4.264 4.470 -0.357 0.000 0.236 182 S C 1.519 176.103 174.600 -0.027 0.000 0.973 182 S CA 0.296 58.493 58.200 -0.005 0.000 0.982 182 S CB 0.061 63.257 63.200 -0.006 0.000 0.786 182 S HN -0.014 nan 8.310 nan 0.000 0.538 183 S N 0.138 115.817 115.700 -0.036 0.000 2.741 183 S HA 0.130 4.386 4.470 -0.357 0.000 0.245 183 S C 0.503 175.005 174.600 -0.163 0.000 1.083 183 S CA -0.217 57.917 58.200 -0.111 0.000 0.873 183 S CB -0.023 63.127 63.200 -0.084 0.000 0.814 183 S HN 0.549 nan 8.310 nan 0.000 0.476 184 T N 4.795 119.323 114.554 -0.043 0.000 2.758 184 T HA -0.002 4.134 4.350 -0.357 0.000 0.249 184 T C 0.273 175.031 174.700 0.096 0.000 1.011 184 T CA 0.454 62.567 62.100 0.021 0.000 1.301 184 T CB -0.977 67.912 68.868 0.034 0.000 0.992 184 T HN 0.557 nan 8.240 nan 0.000 0.549 185 H N 1.330 120.415 119.070 0.025 0.000 2.497 185 H HA 0.483 4.824 4.556 -0.358 0.000 0.331 185 H C 0.636 175.979 175.328 0.025 0.000 1.457 185 H CA -1.481 54.581 56.048 0.023 0.000 1.459 185 H CB 1.159 30.935 29.762 0.023 0.000 1.728 185 H HN 0.278 nan 8.280 nan 0.000 0.691 186 R N 1.170 121.735 120.500 0.109 0.000 3.559 186 R HA 0.185 4.311 4.340 -0.357 0.000 0.273 186 R C -0.437 175.823 176.300 -0.066 0.000 1.423 186 R CA -0.401 55.713 56.100 0.024 0.000 1.581 186 R CB -0.025 30.293 30.300 0.030 0.000 1.338 186 R HN 0.594 nan 8.270 nan 0.000 0.667 187 R N 0.399 120.801 120.500 -0.163 0.000 2.822 187 R HA 0.069 4.195 4.340 -0.357 0.000 0.277 187 R C -0.099 176.192 176.300 -0.014 0.000 1.102 187 R CA -0.352 55.648 56.100 -0.166 0.000 1.207 187 R CB 0.396 30.556 30.300 -0.234 0.000 1.139 187 R HN 0.171 nan 8.270 nan 0.000 0.557 188 L N 1.047 122.276 121.223 0.011 0.000 2.334 188 L HA 0.399 4.525 4.340 -0.357 0.000 0.277 188 L C -1.142 175.834 176.870 0.177 0.000 1.075 188 L CA 0.038 54.911 54.840 0.056 0.000 0.804 188 L CB 0.937 42.987 42.059 -0.015 0.000 1.174 188 L HN 0.388 nan 8.230 nan 0.000 0.438 189 F N 2.933 122.890 119.950 0.013 0.000 2.520 189 F HA 0.493 4.806 4.527 -0.356 0.000 0.322 189 F C -0.742 175.088 175.800 0.050 0.000 1.103 189 F CA -0.467 57.591 58.000 0.097 0.000 0.926 189 F CB 1.058 40.109 39.000 0.084 0.000 1.154 189 F HN 0.562 nan 8.300 nan 0.000 0.453 190 H N 4.411 123.107 119.070 -0.624 0.000 2.519 190 H HA 0.378 4.719 4.556 -0.358 0.000 0.316 190 H C -0.446 174.597 175.328 -0.474 0.000 1.065 190 H CA -0.657 55.152 56.048 -0.399 0.000 1.264 190 H CB 0.932 30.507 29.762 -0.312 0.000 1.413 190 H HN 0.444 nan 8.280 nan 0.000 0.465 191 K N 0.858 121.224 120.400 -0.057 0.000 2.102 191 K HA 0.121 4.227 4.320 -0.357 0.000 0.244 191 K C 1.084 177.687 176.600 0.006 0.000 1.021 191 K CA -0.009 56.300 56.287 0.038 0.000 0.913 191 K CB 0.911 33.471 32.500 0.099 0.000 1.062 191 K HN 0.681 nan 8.250 nan 0.000 0.485 192 S N -0.279 115.439 115.700 0.030 0.000 2.423 192 S HA -0.196 4.060 4.470 -0.357 0.000 0.231 192 S C 1.569 176.178 174.600 0.017 0.000 1.014 192 S CA 1.296 59.505 58.200 0.015 0.000 0.965 192 S CB -0.183 63.033 63.200 0.026 0.000 0.785 192 S HN 0.729 nan 8.310 nan 0.000 0.495 193 D N 2.026 122.442 120.400 0.028 0.000 2.149 193 D HA -0.134 4.292 4.640 -0.357 0.000 0.194 193 D C 1.630 177.938 176.300 0.014 0.000 1.001 193 D CA 2.294 56.308 54.000 0.023 0.000 0.849 193 D CB -0.629 40.190 40.800 0.031 0.000 0.939 193 D HN 0.656 nan 8.370 nan 0.000 0.449 194 G N -0.546 108.262 108.800 0.012 0.000 2.699 194 G HA2 -0.237 3.509 3.960 -0.357 0.000 0.198 194 G HA3 -0.237 3.509 3.960 -0.357 0.000 0.198 194 G C 0.665 175.563 174.900 -0.004 0.000 1.033 194 G CA 0.724 45.829 45.100 0.008 0.000 0.728 194 G HN 0.666 nan 8.290 nan 0.000 0.484 195 S N 0.333 116.029 115.700 -0.007 0.000 2.629 195 S HA 0.634 4.890 4.470 -0.357 0.000 0.250 195 S C 0.552 175.113 174.600 -0.065 0.000 1.318 195 S CA 1.506 59.691 58.200 -0.025 0.000 0.970 195 S CB 0.698 63.897 63.200 -0.003 0.000 0.996 195 S HN 2.079 nan 8.310 nan 0.000 0.563 196 T N -3.465 111.050 114.554 -0.066 0.000 2.739 196 T HA 0.673 4.809 4.350 -0.357 0.000 0.303 196 T C -0.912 173.785 174.700 -0.004 0.000 1.389 196 T CA -0.367 61.673 62.100 -0.101 0.000 1.001 196 T CB 0.809 69.522 68.868 -0.257 0.000 1.436 196 T HN 2.001 nan 8.240 nan 0.000 0.500 197 V N -2.402 117.538 119.914 0.044 0.000 3.023 197 V HA 0.737 4.643 4.120 -0.357 0.000 0.294 197 V C -0.678 175.465 176.094 0.082 0.000 1.324 197 V CA -0.977 61.363 62.300 0.068 0.000 0.979 197 V CB 1.554 33.437 31.823 0.099 0.000 1.093 197 V HN 1.043 nan 8.190 nan 0.000 0.434 198 S N 2.693 118.419 115.700 0.044 0.000 2.399 198 S HA 0.703 4.959 4.470 -0.357 0.000 0.301 198 S C -0.003 174.621 174.600 0.041 0.000 1.093 198 S CA -0.248 57.975 58.200 0.039 0.000 1.077 198 S CB 0.777 63.985 63.200 0.014 0.000 0.980 198 S HN 1.543 nan 8.310 nan 0.000 0.494 199 V N 2.452 122.397 119.914 0.052 0.000 2.919 199 V HA 0.747 4.653 4.120 -0.357 0.000 0.316 199 V C -3.041 173.076 176.094 0.037 0.000 1.077 199 V CA -3.237 59.081 62.300 0.030 0.000 0.977 199 V CB 1.209 33.026 31.823 -0.009 0.000 1.039 199 V HN 0.387 nan 8.190 nan 0.000 0.441 200 P HA 0.400 nan 4.420 nan 0.000 0.268 200 P C -0.705 176.636 177.300 0.068 0.000 1.205 200 P CA 0.223 63.356 63.100 0.055 0.000 0.771 200 P CB 0.304 32.029 31.700 0.041 0.000 0.858 201 M N 3.252 122.921 119.600 0.116 0.000 2.122 201 M HA 0.309 4.575 4.480 -0.357 0.000 0.269 201 M C 0.027 176.423 176.300 0.160 0.000 0.954 201 M CA -0.525 54.850 55.300 0.125 0.000 0.998 201 M CB 1.318 34.001 32.600 0.138 0.000 1.755 201 M HN 0.316 nan 8.290 nan 0.000 0.459 202 M N 1.662 121.273 119.600 0.019 0.000 2.157 202 M HA 0.863 5.129 4.480 -0.357 0.000 0.304 202 M C -0.293 176.068 176.300 0.101 0.000 1.171 202 M CA -0.040 55.259 55.300 -0.002 0.000 1.157 202 M CB 0.591 33.075 32.600 -0.194 0.000 1.403 202 M HN 0.675 nan 8.290 nan 0.000 0.473 203 A N 1.425 124.399 122.820 0.256 0.000 2.565 203 A HA 0.565 4.670 4.320 -0.357 0.000 0.298 203 A C -1.525 176.161 177.584 0.170 0.000 1.062 203 A CA -0.846 51.348 52.037 0.262 0.000 0.723 203 A CB 1.550 20.592 19.000 0.070 0.000 1.282 203 A HN 0.944 nan 8.150 nan 0.000 0.400 204 Q N 0.198 120.003 119.800 0.008 0.000 2.421 204 Q HA 0.829 4.955 4.340 -0.357 0.000 0.280 204 Q C -1.117 174.898 176.000 0.025 0.000 1.085 204 Q CA -0.817 54.905 55.803 -0.136 0.000 0.807 204 Q CB 2.083 30.510 28.738 -0.519 0.000 1.405 204 Q HN 0.437 nan 8.270 nan 0.000 0.419 205 T N 2.454 117.008 114.554 -0.001 0.000 2.771 205 T HA 0.610 4.746 4.350 -0.357 0.000 0.281 205 T C -0.842 173.836 174.700 -0.037 0.000 0.982 205 T CA -0.525 61.616 62.100 0.067 0.000 0.978 205 T CB 0.703 69.568 68.868 -0.004 0.000 0.930 205 T HN 0.613 nan 8.240 nan 0.000 0.447 206 N N 1.315 120.004 118.700 -0.017 0.000 3.355 206 N HA 0.111 4.637 4.740 -0.357 0.000 0.238 206 N C -1.562 173.772 175.510 -0.292 0.000 1.466 206 N CA -0.673 52.145 53.050 -0.386 0.000 0.882 206 N CB 1.501 39.437 38.487 -0.918 0.000 1.406 206 N HN 0.360 nan 8.380 nan 0.000 0.500 207 K N 1.793 122.014 120.400 -0.299 0.000 2.187 207 K HA 0.239 4.345 4.320 -0.357 0.000 0.242 207 K C -0.504 176.007 176.600 -0.148 0.000 1.179 207 K CA -0.177 56.036 56.287 -0.123 0.000 1.097 207 K CB -0.471 31.977 32.500 -0.088 0.000 1.634 207 K HN 0.208 nan 8.250 nan 0.000 0.335 208 F N 1.003 120.904 119.950 -0.083 0.000 2.563 208 F HA -0.028 4.284 4.527 -0.358 0.000 0.363 208 F C 1.252 177.047 175.800 -0.008 0.000 1.123 208 F CA -0.590 57.365 58.000 -0.075 0.000 1.307 208 F CB 0.069 39.013 39.000 -0.094 0.000 1.115 208 F HN 0.321 nan 8.300 nan 0.000 0.592 209 N N 2.570 121.354 118.700 0.141 0.000 2.416 209 N HA 0.027 4.553 4.740 -0.357 0.000 0.271 209 N C -1.208 174.400 175.510 0.163 0.000 1.245 209 N CA 0.112 53.224 53.050 0.103 0.000 0.940 209 N CB -0.137 38.367 38.487 0.028 0.000 1.175 209 N HN 0.486 nan 8.380 nan 0.000 0.483 210 Y N 2.471 122.806 120.300 0.058 0.000 2.549 210 Y HA 0.679 5.014 4.550 -0.358 0.000 0.339 210 Y C -0.356 175.583 175.900 0.065 0.000 1.053 210 Y CA -0.641 57.489 58.100 0.051 0.000 1.105 210 Y CB 1.905 40.392 38.460 0.044 0.000 1.258 210 Y HN 0.367 nan 8.280 nan 0.000 0.478 211 T N 3.552 117.301 114.554 -1.341 0.000 3.087 211 T HA 0.207 4.343 4.350 -0.357 0.000 0.351 211 T C -2.052 172.088 174.700 -0.933 0.000 1.520 211 T CA -0.749 60.793 62.100 -0.931 0.000 1.111 211 T CB 1.062 69.750 68.868 -0.300 0.000 1.353 211 T HN 0.817 nan 8.240 nan 0.000 0.481 212 E N 2.726 122.693 120.200 -0.389 0.000 2.216 212 E HA 0.625 4.761 4.350 -0.357 0.000 0.279 212 E C -1.431 175.263 176.600 0.156 0.000 0.997 212 E CA -0.694 55.731 56.400 0.041 0.000 0.817 212 E CB 0.890 30.740 29.700 0.249 0.000 1.096 212 E HN 0.451 nan 8.360 nan 0.000 0.393 213 F N 1.895 121.884 119.950 0.065 0.000 2.563 213 F HA 0.477 4.793 4.527 -0.353 0.000 0.316 213 F C -1.127 174.742 175.800 0.115 0.000 1.076 213 F CA -0.439 57.614 58.000 0.089 0.000 0.921 213 F CB 2.273 41.291 39.000 0.030 0.000 1.209 213 F HN 0.234 nan 8.300 nan 0.000 0.462 214 T N 2.986 116.898 114.554 -1.069 0.000 2.840 214 T HA 0.348 4.484 4.350 -0.357 0.000 0.287 214 T C -0.502 173.483 174.700 -1.192 0.000 0.991 214 T CA -0.661 60.846 62.100 -0.989 0.000 0.964 214 T CB 0.981 69.406 68.868 -0.739 0.000 0.954 214 T HN 0.779 nan 8.240 nan 0.000 0.438 215 T N 1.331 115.465 114.554 -0.700 0.000 2.926 215 T HA 0.205 4.341 4.350 -0.357 0.000 0.307 215 T C -1.997 172.518 174.700 -0.308 0.000 1.059 215 T CA -1.469 60.427 62.100 -0.340 0.000 1.122 215 T CB 0.344 69.181 68.868 -0.052 0.000 0.972 215 T HN 0.124 nan 8.240 nan 0.000 0.545 216 P HA 0.020 nan 4.420 nan 0.000 0.261 216 P C 0.258 177.459 177.300 -0.165 0.000 1.277 216 P CA 0.713 63.725 63.100 -0.147 0.000 0.748 216 P CB -0.197 31.455 31.700 -0.079 0.000 1.062 217 D N -3.563 116.689 120.400 -0.247 0.000 2.712 217 D HA 0.158 4.584 4.640 -0.357 0.000 0.300 217 D C 0.888 177.023 176.300 -0.276 0.000 1.521 217 D CA -0.249 53.589 54.000 -0.270 0.000 0.790 217 D CB -0.311 40.285 40.800 -0.341 0.000 1.155 217 D HN 0.098 nan 8.370 nan 0.000 0.456 218 G N 1.070 109.745 108.800 -0.209 0.000 2.132 218 G HA2 -0.230 3.515 3.960 -0.357 0.000 0.228 218 G HA3 -0.230 3.515 3.960 -0.357 0.000 0.228 218 G C -0.374 174.638 174.900 0.187 0.000 1.000 218 G CA -0.230 44.868 45.100 -0.004 0.000 0.693 218 G HN 0.624 nan 8.290 nan 0.000 0.515 219 H N -0.782 118.152 119.070 -0.227 0.000 2.504 219 H HA 0.509 4.850 4.556 -0.358 0.000 0.322 219 H C -0.845 174.369 175.328 -0.190 0.000 1.055 219 H CA -0.820 55.215 56.048 -0.022 0.000 1.231 219 H CB 0.908 30.800 29.762 0.216 0.000 1.417 219 H HN 0.230 nan 8.280 nan 0.000 0.472 220 Y N 2.853 123.239 120.300 0.143 0.000 2.342 220 Y HA 0.222 4.559 4.550 -0.356 0.000 0.338 220 Y C -0.629 175.384 175.900 0.188 0.000 0.965 220 Y CA -0.845 57.327 58.100 0.121 0.000 1.159 220 Y CB 0.257 38.646 38.460 -0.119 0.000 1.157 220 Y HN 0.531 nan 8.280 nan 0.000 0.486 221 Y N 0.743 121.233 120.300 0.316 0.000 2.587 221 Y HA 0.445 4.781 4.550 -0.356 0.000 0.337 221 Y C -0.034 176.053 175.900 0.312 0.000 1.065 221 Y CA -1.601 56.689 58.100 0.316 0.000 1.126 221 Y CB 1.268 39.877 38.460 0.248 0.000 1.279 221 Y HN 0.455 nan 8.280 nan 0.000 0.489 222 D N 1.917 122.548 120.400 0.385 0.000 2.217 222 D HA 0.393 4.818 4.640 -0.357 0.000 0.243 222 D C -0.821 175.555 176.300 0.127 0.000 1.054 222 D CA -0.062 54.131 54.000 0.322 0.000 0.838 222 D CB 1.714 42.672 40.800 0.263 0.000 1.162 222 D HN 0.231 nan 8.370 nan 0.000 0.472 223 I N 3.311 123.850 120.570 -0.051 0.000 2.389 223 I HA 0.368 4.324 4.170 -0.357 0.000 0.288 223 I C 0.134 176.228 176.117 -0.040 0.000 0.999 223 I CA -0.443 60.723 61.300 -0.222 0.000 1.129 223 I CB 1.338 38.979 38.000 -0.600 0.000 1.288 223 I HN 0.187 nan 8.210 nan 0.000 0.444 224 L N 4.758 126.005 121.223 0.040 0.000 2.303 224 L HA 0.574 4.700 4.340 -0.357 0.000 0.266 224 L C -0.107 176.722 176.870 -0.069 0.000 1.011 224 L CA -0.652 54.220 54.840 0.054 0.000 0.818 224 L CB 2.676 44.744 42.059 0.015 0.000 1.326 224 L HN 0.591 nan 8.230 nan 0.000 0.435 225 E N 1.889 122.003 120.200 -0.143 0.000 2.241 225 E HA 0.429 4.565 4.350 -0.357 0.000 0.263 225 E C -1.806 174.688 176.600 -0.176 0.000 0.882 225 E CA -0.550 55.586 56.400 -0.440 0.000 0.769 225 E CB 1.614 30.913 29.700 -0.668 0.000 1.185 225 E HN 0.447 nan 8.360 nan 0.000 0.415 226 L N 6.803 127.945 121.223 -0.136 0.000 2.295 226 L HA 0.467 4.593 4.340 -0.357 0.000 0.281 226 L C -2.159 174.713 176.870 0.003 0.000 1.018 226 L CA -2.083 52.719 54.840 -0.063 0.000 0.841 226 L CB 1.367 43.328 42.059 -0.163 0.000 1.218 226 L HN 0.383 nan 8.230 nan 0.000 0.424 227 P HA 0.076 nan 4.420 nan 0.000 0.276 227 P C -1.164 176.274 177.300 0.230 0.000 1.230 227 P CA -0.039 63.122 63.100 0.101 0.000 0.776 227 P CB 0.766 32.496 31.700 0.049 0.000 0.888 228 Y N 1.203 121.720 120.300 0.360 0.000 2.374 228 Y HA 0.154 4.492 4.550 -0.354 0.000 0.322 228 Y C 1.777 177.897 175.900 0.367 0.000 1.275 228 Y CA 0.017 58.347 58.100 0.383 0.000 1.307 228 Y CB 0.045 38.698 38.460 0.323 0.000 1.282 228 Y HN 0.527 nan 8.280 nan 0.000 0.509 229 H N -0.597 118.683 119.070 0.350 0.000 3.163 229 H HA 0.093 4.434 4.556 -0.359 0.000 0.321 229 H C 1.203 176.639 175.328 0.179 0.000 1.006 229 H CA 0.141 56.324 56.048 0.226 0.000 1.344 229 H CB 0.046 29.929 29.762 0.202 0.000 1.272 229 H HN 0.928 nan 8.280 nan 0.000 0.594 230 G N 2.590 111.409 108.800 0.031 0.000 2.180 230 G HA2 -0.435 3.311 3.960 -0.357 0.000 0.263 230 G HA3 -0.435 3.311 3.960 -0.357 0.000 0.263 230 G C 0.250 175.109 174.900 -0.067 0.000 0.989 230 G CA 0.762 45.806 45.100 -0.093 0.000 0.692 230 G HN 1.112 nan 8.290 nan 0.000 0.526 231 D N -2.156 118.257 120.400 0.022 0.000 2.997 231 D HA -0.217 4.209 4.640 -0.357 0.000 0.226 231 D C 1.649 177.910 176.300 -0.065 0.000 1.189 231 D CA 1.975 55.985 54.000 0.016 0.000 0.834 231 D CB -1.474 39.320 40.800 -0.010 0.000 1.105 231 D HN 0.589 nan 8.370 nan 0.000 0.415 232 T N -0.581 113.886 114.554 -0.145 0.000 2.614 232 T HA -0.042 4.094 4.350 -0.357 0.000 0.263 232 T C 1.173 175.701 174.700 -0.286 0.000 1.055 232 T CA 0.718 62.580 62.100 -0.396 0.000 1.162 232 T CB 0.120 68.545 68.868 -0.738 0.000 0.863 232 T HN 0.215 nan 8.240 nan 0.000 0.414 233 L N 0.681 121.886 121.223 -0.029 0.000 2.344 233 L HA 0.558 4.684 4.340 -0.357 0.000 0.272 233 L C -0.336 176.794 176.870 0.432 0.000 1.035 233 L CA -0.620 54.328 54.840 0.179 0.000 0.807 233 L CB 1.820 44.022 42.059 0.238 0.000 1.237 233 L HN 0.060 nan 8.230 nan 0.000 0.442 234 S N 1.892 117.866 115.700 0.457 0.000 2.547 234 S HA 0.567 4.823 4.470 -0.357 0.000 0.281 234 S C -0.830 174.107 174.600 0.562 0.000 1.118 234 S CA -0.570 57.889 58.200 0.432 0.000 0.947 234 S CB 2.027 65.392 63.200 0.275 0.000 1.053 234 S HN 0.515 nan 8.310 nan 0.000 0.482 235 M N 3.789 123.646 119.600 0.429 0.000 2.088 235 M HA 0.599 4.865 4.480 -0.357 0.000 0.346 235 M C -2.012 174.490 176.300 0.336 0.000 1.111 235 M CA -0.149 55.474 55.300 0.538 0.000 1.017 235 M CB -0.211 32.715 32.600 0.543 0.000 1.568 235 M HN 0.453 nan 8.290 nan 0.000 0.445 236 F N 5.880 126.063 119.950 0.389 0.000 2.436 236 F HA 0.606 4.918 4.527 -0.360 0.000 0.340 236 F C -0.345 175.653 175.800 0.329 0.000 1.113 236 F CA -0.451 57.738 58.000 0.316 0.000 1.022 236 F CB 1.106 40.317 39.000 0.352 0.000 1.128 236 F HN 0.442 nan 8.300 nan 0.000 0.466 237 I N 3.118 123.888 120.570 0.333 0.000 2.436 237 I HA 0.660 4.616 4.170 -0.357 0.000 0.289 237 I C -0.676 175.542 176.117 0.169 0.000 1.010 237 I CA -0.829 60.650 61.300 0.297 0.000 1.098 237 I CB 1.794 39.885 38.000 0.152 0.000 1.266 237 I HN 0.639 nan 8.210 nan 0.000 0.434 238 A N 5.262 128.207 122.820 0.209 0.000 2.343 238 A HA 0.940 5.046 4.320 -0.357 0.000 0.308 238 A C -0.916 176.862 177.584 0.323 0.000 1.092 238 A CA -0.452 51.656 52.037 0.119 0.000 0.751 238 A CB 1.557 20.476 19.000 -0.135 0.000 1.203 238 A HN 0.817 nan 8.150 nan 0.000 0.452 239 A N 3.832 126.841 122.820 0.315 0.000 2.520 239 A HA 0.928 5.034 4.320 -0.357 0.000 0.298 239 A C -3.147 174.523 177.584 0.143 0.000 1.051 239 A CA -1.636 50.572 52.037 0.285 0.000 0.690 239 A CB 1.500 20.627 19.000 0.212 0.000 1.281 239 A HN 0.573 nan 8.150 nan 0.000 0.402 240 P HA 0.064 nan 4.420 nan 0.000 0.270 240 P C -0.067 177.210 177.300 -0.037 0.000 1.223 240 P CA 0.261 63.173 63.100 -0.313 0.000 0.785 240 P CB 0.669 32.078 31.700 -0.485 0.000 0.923 241 Y N 0.128 120.361 120.300 -0.112 0.000 2.084 241 Y HA -0.119 4.216 4.550 -0.358 0.000 0.279 241 Y C 1.854 177.695 175.900 -0.098 0.000 1.119 241 Y CA 1.695 59.758 58.100 -0.062 0.000 1.101 241 Y CB -0.517 37.923 38.460 -0.033 0.000 0.989 241 Y HN 0.323 nan 8.280 nan 0.000 0.484 242 E N 0.799 121.052 120.200 0.089 0.000 2.605 242 E HA 0.086 4.222 4.350 -0.357 0.000 0.255 242 E C 0.030 176.586 176.600 -0.074 0.000 1.369 242 E CA -0.027 56.365 56.400 -0.013 0.000 1.017 242 E CB 0.398 30.085 29.700 -0.022 0.000 1.086 242 E HN 0.258 nan 8.360 nan 0.000 0.605 243 K N 0.273 120.620 120.400 -0.089 0.000 2.842 243 K HA 0.067 4.173 4.320 -0.357 0.000 0.310 243 K C 0.654 177.204 176.600 -0.084 0.000 0.992 243 K CA -0.701 55.525 56.287 -0.103 0.000 1.207 243 K CB 0.307 32.745 32.500 -0.105 0.000 1.478 243 K HN 0.266 nan 8.250 nan 0.000 0.601 244 E N -1.195 118.964 120.200 -0.069 0.000 4.510 244 E HA -0.254 3.882 4.350 -0.357 0.000 0.189 244 E C 0.276 176.828 176.600 -0.081 0.000 1.322 244 E CA 1.608 57.972 56.400 -0.060 0.000 2.269 244 E CB -1.911 27.756 29.700 -0.055 0.000 1.885 244 E HN 0.330 nan 8.360 nan 0.000 0.337 245 V N 5.016 124.856 119.914 -0.123 0.000 2.810 245 V HA -0.118 3.788 4.120 -0.357 0.000 0.290 245 V C -1.940 174.073 176.094 -0.134 0.000 1.029 245 V CA 0.583 62.762 62.300 -0.201 0.000 1.219 245 V CB -0.814 30.852 31.823 -0.262 0.000 0.829 245 V HN 0.129 nan 8.190 nan 0.000 0.457 246 P HA 0.037 nan 4.420 nan 0.000 0.267 246 P C 0.587 177.959 177.300 0.121 0.000 1.209 246 P CA -0.313 62.801 63.100 0.024 0.000 0.763 246 P CB 0.654 32.384 31.700 0.051 0.000 0.816 247 L N 3.877 125.186 121.223 0.143 0.000 2.353 247 L HA -0.150 3.976 4.340 -0.357 0.000 0.220 247 L C 2.172 179.218 176.870 0.295 0.000 1.133 247 L CA 1.679 56.684 54.840 0.275 0.000 0.798 247 L CB -1.078 41.103 42.059 0.204 0.000 0.922 247 L HN 0.327 nan 8.230 nan 0.000 0.445 248 S N -0.396 115.421 115.700 0.196 0.000 2.365 248 S HA -0.307 3.949 4.470 -0.357 0.000 0.221 248 S C 2.282 177.004 174.600 0.205 0.000 1.037 248 S CA 1.787 60.078 58.200 0.152 0.000 1.060 248 S CB -0.645 62.616 63.200 0.103 0.000 0.974 248 S HN 0.691 nan 8.310 nan 0.000 0.427 249 A N 1.517 124.514 122.820 0.295 0.000 1.957 249 A HA -0.234 3.872 4.320 -0.357 0.000 0.224 249 A C 2.195 179.926 177.584 0.244 0.000 1.287 249 A CA 2.305 54.559 52.037 0.362 0.000 0.682 249 A CB -1.331 18.120 19.000 0.751 0.000 0.833 249 A HN 0.611 nan 8.150 nan 0.000 0.482 250 L N -0.029 121.307 121.223 0.188 0.000 1.948 250 L HA -0.133 3.993 4.340 -0.357 0.000 0.212 250 L C 2.926 179.849 176.870 0.087 0.000 1.074 250 L CA 3.241 58.072 54.840 -0.015 0.000 0.753 250 L CB -1.279 40.593 42.059 -0.312 0.000 0.888 250 L HN 0.637 nan 8.230 nan 0.000 0.432 251 T N -2.641 111.987 114.554 0.124 0.000 2.896 251 T HA -0.212 3.924 4.350 -0.357 0.000 0.270 251 T C 1.678 176.412 174.700 0.058 0.000 1.104 251 T CA 1.581 63.757 62.100 0.127 0.000 1.115 251 T CB -0.811 68.156 68.868 0.163 0.000 0.843 251 T HN 0.420 nan 8.240 nan 0.000 0.523 252 N N 1.648 120.377 118.700 0.049 0.000 2.300 252 N HA 0.053 4.579 4.740 -0.357 0.000 0.179 252 N C 1.284 176.798 175.510 0.007 0.000 1.016 252 N CA 1.308 54.367 53.050 0.016 0.000 0.876 252 N CB -0.066 38.439 38.487 0.029 0.000 0.979 252 N HN 0.702 nan 8.380 nan 0.000 0.432 253 I N -1.621 118.962 120.570 0.021 0.000 3.856 253 I HA 0.284 4.240 4.170 -0.357 0.000 0.330 253 I C -0.151 175.946 176.117 -0.033 0.000 1.546 253 I CA -0.785 60.516 61.300 0.001 0.000 1.132 253 I CB -0.210 37.805 38.000 0.025 0.000 1.157 253 I HN -0.232 nan 8.210 nan 0.000 0.440 254 L N 1.811 123.014 121.223 -0.034 0.000 2.433 254 L HA 0.571 4.697 4.340 -0.357 0.000 0.275 254 L C -0.004 176.780 176.870 -0.143 0.000 1.128 254 L CA 0.824 55.603 54.840 -0.101 0.000 0.875 254 L CB 0.122 42.175 42.059 -0.010 0.000 1.171 254 L HN 0.361 nan 8.230 nan 0.000 0.463 255 S N 2.769 118.322 115.700 -0.244 0.000 2.661 255 S HA 0.658 4.914 4.470 -0.357 0.000 0.285 255 S C 0.882 175.296 174.600 -0.310 0.000 1.138 255 S CA -0.203 57.865 58.200 -0.219 0.000 0.855 255 S CB 1.639 64.742 63.200 -0.163 0.000 1.136 255 S HN 0.726 nan 8.310 nan 0.000 0.484 256 A N 0.607 123.250 122.820 -0.295 0.000 1.978 256 A HA -0.158 3.948 4.320 -0.357 0.000 0.220 256 A C 1.975 179.346 177.584 -0.356 0.000 1.170 256 A CA 2.017 53.810 52.037 -0.406 0.000 0.636 256 A CB -0.667 17.936 19.000 -0.663 0.000 0.810 256 A HN 0.692 nan 8.150 nan 0.000 0.448 257 Q N -0.692 118.971 119.800 -0.230 0.000 2.016 257 Q HA -0.107 4.019 4.340 -0.357 0.000 0.200 257 Q C 1.882 177.716 176.000 -0.276 0.000 0.978 257 Q CA 1.598 57.317 55.803 -0.140 0.000 0.833 257 Q CB -0.543 28.149 28.738 -0.077 0.000 0.895 257 Q HN 0.461 nan 8.270 nan 0.000 0.427 258 L N 0.391 121.374 121.223 -0.400 0.000 2.010 258 L HA -0.249 3.877 4.340 -0.357 0.000 0.219 258 L C 2.069 178.326 176.870 -1.021 0.000 1.077 258 L CA 1.983 56.424 54.840 -0.666 0.000 0.773 258 L CB -0.753 40.833 42.059 -0.788 0.000 0.892 258 L HN 0.456 nan 8.230 nan 0.000 0.436 259 I N -1.334 118.629 120.570 -1.011 0.000 2.163 259 I HA -0.345 3.611 4.170 -0.357 0.000 0.243 259 I C 2.315 178.130 176.117 -0.503 0.000 1.085 259 I CA 1.633 62.362 61.300 -0.952 0.000 1.347 259 I CB -0.645 36.907 38.000 -0.747 0.000 1.044 259 I HN 0.219 nan 8.210 nan 0.000 0.408 260 S N -0.709 114.794 115.700 -0.328 0.000 2.469 260 S HA -0.243 4.013 4.470 -0.357 0.000 0.238 260 S C 1.859 176.440 174.600 -0.032 0.000 0.998 260 S CA 1.288 59.410 58.200 -0.130 0.000 0.957 260 S CB -0.469 62.688 63.200 -0.072 0.000 0.764 260 S HN 0.512 nan 8.310 nan 0.000 0.514 261 H N -0.150 118.794 119.070 -0.209 0.000 2.415 261 H HA 0.042 4.383 4.556 -0.358 0.000 0.297 261 H C 1.648 177.004 175.328 0.046 0.000 1.048 261 H CA 1.179 57.167 56.048 -0.099 0.000 1.365 261 H CB -0.116 29.552 29.762 -0.155 0.000 1.421 261 H HN 0.318 nan 8.280 nan 0.000 0.533 262 W N 1.516 122.729 121.300 -0.145 0.000 2.354 262 W HA -0.077 4.365 4.660 -0.363 0.000 0.315 262 W C 2.309 178.807 176.519 -0.036 0.000 1.206 262 W CA 1.100 58.357 57.345 -0.146 0.000 1.290 262 W CB -1.020 28.376 29.460 -0.107 0.000 1.152 262 W HN 0.225 nan 8.180 nan 0.000 0.489 263 K N 0.494 121.070 120.400 0.294 0.000 2.442 263 K HA -0.098 4.008 4.320 -0.357 0.000 0.199 263 K C 1.997 178.671 176.600 0.124 0.000 1.044 263 K CA 1.235 57.686 56.287 0.273 0.000 0.941 263 K CB -0.443 32.219 32.500 0.269 0.000 0.759 263 K HN 0.092 nan 8.250 nan 0.000 0.472 264 G N 1.723 110.552 108.800 0.048 0.000 2.556 264 G HA2 -0.243 3.503 3.960 -0.357 0.000 0.215 264 G HA3 -0.243 3.503 3.960 -0.357 0.000 0.215 264 G C 0.782 175.679 174.900 -0.006 0.000 1.258 264 G CA 0.772 45.871 45.100 -0.002 0.000 0.811 264 G HN 0.509 nan 8.290 nan 0.000 0.557 265 N N 0.618 119.287 118.700 -0.052 0.000 2.451 265 N HA 0.189 4.715 4.740 -0.357 0.000 0.264 265 N C 0.240 175.749 175.510 -0.002 0.000 1.167 265 N CA -0.096 52.943 53.050 -0.018 0.000 0.898 265 N CB 0.282 38.752 38.487 -0.028 0.000 1.176 265 N HN 0.297 nan 8.380 nan 0.000 0.507 266 M N 0.863 120.476 119.600 0.021 0.000 2.227 266 M HA 0.235 4.500 4.480 -0.357 0.000 0.316 266 M C 0.056 176.379 176.300 0.039 0.000 1.144 266 M CA 0.065 55.376 55.300 0.018 0.000 1.121 266 M CB 1.341 33.975 32.600 0.056 0.000 1.440 266 M HN 0.159 nan 8.290 nan 0.000 0.473 267 T N -0.865 113.724 114.554 0.059 0.000 3.172 267 T HA 0.441 4.577 4.350 -0.357 0.000 0.320 267 T C -0.677 174.084 174.700 0.102 0.000 1.085 267 T CA -1.146 60.998 62.100 0.074 0.000 1.052 267 T CB 0.950 69.865 68.868 0.078 0.000 1.107 267 T HN 0.640 nan 8.240 nan 0.000 0.458 268 R N 2.229 122.768 120.500 0.066 0.000 2.480 268 R HA 0.445 4.571 4.340 -0.357 0.000 0.303 268 R C -0.415 175.925 176.300 0.066 0.000 0.985 268 R CA 0.081 56.213 56.100 0.053 0.000 1.051 268 R CB -0.018 30.283 30.300 0.003 0.000 0.935 268 R HN 0.560 nan 8.270 nan 0.000 0.410 269 L N 5.057 126.337 121.223 0.094 0.000 2.445 269 L HA 0.467 4.593 4.340 -0.357 0.000 0.262 269 L C -2.279 174.630 176.870 0.065 0.000 0.974 269 L CA -2.671 52.215 54.840 0.077 0.000 0.822 269 L CB 2.765 44.886 42.059 0.104 0.000 1.339 269 L HN 0.438 nan 8.230 nan 0.000 0.409 270 P HA 0.242 nan 4.420 nan 0.000 0.271 270 P C -1.133 176.184 177.300 0.028 0.000 1.226 270 P CA -0.064 63.049 63.100 0.023 0.000 0.765 270 P CB 0.887 32.585 31.700 -0.004 0.000 0.835 271 R N 1.633 122.181 120.500 0.079 0.000 2.690 271 R HA 0.408 4.534 4.340 -0.357 0.000 0.269 271 R C -1.155 175.169 176.300 0.039 0.000 1.037 271 R CA -1.194 54.914 56.100 0.013 0.000 0.877 271 R CB 1.118 31.368 30.300 -0.083 0.000 1.255 271 R HN 0.314 nan 8.270 nan 0.000 0.467 272 L N 2.664 123.857 121.223 -0.050 0.000 2.255 272 L HA 0.387 4.513 4.340 -0.357 0.000 0.289 272 L C -1.171 175.606 176.870 -0.154 0.000 1.046 272 L CA -0.412 54.397 54.840 -0.052 0.000 0.816 272 L CB 0.829 42.863 42.059 -0.041 0.000 1.197 272 L HN 0.487 nan 8.230 nan 0.000 0.427 273 L N 6.732 127.812 121.223 -0.238 0.000 2.264 273 L HA 0.535 4.661 4.340 -0.357 0.000 0.289 273 L C -0.882 175.921 176.870 -0.112 0.000 1.044 273 L CA 0.033 54.652 54.840 -0.370 0.000 0.807 273 L CB 1.395 42.927 42.059 -0.878 0.000 1.192 273 L HN 0.418 nan 8.230 nan 0.000 0.425 274 V N 6.967 126.833 119.914 -0.081 0.000 2.313 274 V HA 0.433 4.339 4.120 -0.357 0.000 0.278 274 V C -0.618 175.463 176.094 -0.021 0.000 1.017 274 V CA -0.495 61.820 62.300 0.026 0.000 0.823 274 V CB 1.260 33.127 31.823 0.073 0.000 1.010 274 V HN 0.648 nan 8.190 nan 0.000 0.443 275 L N 9.170 130.381 121.223 -0.021 0.000 2.372 275 L HA 0.716 4.842 4.340 -0.357 0.000 0.274 275 L C -2.459 174.378 176.870 -0.057 0.000 0.988 275 L CA -1.956 52.821 54.840 -0.106 0.000 0.833 275 L CB 2.375 44.331 42.059 -0.171 0.000 1.236 275 L HN 0.340 nan 8.230 nan 0.000 0.410 276 P HA 0.027 nan 4.420 nan 0.000 0.266 276 P C -1.006 176.393 177.300 0.165 0.000 1.195 276 P CA 0.021 63.180 63.100 0.098 0.000 0.768 276 P CB 0.564 32.328 31.700 0.107 0.000 0.838 277 K N 2.792 123.238 120.400 0.077 0.000 2.258 277 K HA 0.445 4.551 4.320 -0.357 0.000 0.264 277 K C 0.054 176.759 176.600 0.176 0.000 1.007 277 K CA 0.076 56.375 56.287 0.019 0.000 0.941 277 K CB 0.166 32.645 32.500 -0.035 0.000 0.966 277 K HN 0.521 nan 8.250 nan 0.000 0.480 278 F N -2.539 117.393 119.950 -0.031 0.000 2.639 278 F HA 0.345 4.650 4.527 -0.370 0.000 0.320 278 F C -1.259 174.514 175.800 -0.045 0.000 1.128 278 F CA -0.879 57.103 58.000 -0.029 0.000 1.037 278 F CB 1.311 40.311 39.000 -0.000 0.000 1.288 278 F HN 0.184 nan 8.300 nan 0.000 0.463 279 S N 4.866 120.630 115.700 0.106 0.000 2.733 279 S HA 0.744 5.000 4.470 -0.357 0.000 0.307 279 S C -0.706 173.974 174.600 0.133 0.000 1.127 279 S CA -0.602 57.620 58.200 0.037 0.000 1.097 279 S CB 0.772 63.970 63.200 -0.004 0.000 1.003 279 S HN 0.620 nan 8.310 nan 0.000 0.477 280 L N 2.366 123.701 121.223 0.185 0.000 2.313 280 L HA 0.706 4.832 4.340 -0.357 0.000 0.268 280 L C 0.079 177.045 176.870 0.161 0.000 1.010 280 L CA -0.734 54.220 54.840 0.190 0.000 0.814 280 L CB 1.524 43.740 42.059 0.262 0.000 1.304 280 L HN 0.502 nan 8.230 nan 0.000 0.441 281 E N 0.287 120.579 120.200 0.153 0.000 2.308 281 E HA 0.569 4.705 4.350 -0.357 0.000 0.275 281 E C -1.768 174.927 176.600 0.157 0.000 0.890 281 E CA -0.398 56.092 56.400 0.150 0.000 0.754 281 E CB 2.430 32.205 29.700 0.125 0.000 1.207 281 E HN 0.610 nan 8.360 nan 0.000 0.426 282 T N 2.872 117.530 114.554 0.173 0.000 2.933 282 T HA 0.338 4.474 4.350 -0.357 0.000 0.305 282 T C -1.476 173.324 174.700 0.167 0.000 1.092 282 T CA -0.754 61.453 62.100 0.179 0.000 1.008 282 T CB 1.615 70.621 68.868 0.231 0.000 1.102 282 T HN 0.517 nan 8.240 nan 0.000 0.469 283 E N 2.132 122.424 120.200 0.153 0.000 2.283 283 E HA 0.554 4.690 4.350 -0.357 0.000 0.258 283 E C -1.018 175.665 176.600 0.139 0.000 0.893 283 E CA -0.796 55.687 56.400 0.138 0.000 0.798 283 E CB 1.218 30.991 29.700 0.121 0.000 1.242 283 E HN 0.529 nan 8.360 nan 0.000 0.414 284 V N 1.411 121.419 119.914 0.157 0.000 2.547 284 V HA 0.540 4.446 4.120 -0.357 0.000 0.299 284 V C -0.415 175.756 176.094 0.128 0.000 1.040 284 V CA -0.772 61.625 62.300 0.162 0.000 0.913 284 V CB 1.777 33.755 31.823 0.259 0.000 0.992 284 V HN 0.733 nan 8.190 nan 0.000 0.449 285 D N 3.384 123.840 120.400 0.093 0.000 2.500 285 D HA 0.331 4.757 4.640 -0.357 0.000 0.219 285 D C 1.059 177.396 176.300 0.062 0.000 1.137 285 D CA -0.228 53.814 54.000 0.070 0.000 0.946 285 D CB 0.385 41.206 40.800 0.035 0.000 1.022 285 D HN 0.630 nan 8.370 nan 0.000 0.518 286 L N 2.346 123.638 121.223 0.116 0.000 2.683 286 L HA -0.197 3.929 4.340 -0.357 0.000 0.236 286 L C 2.571 179.453 176.870 0.021 0.000 1.179 286 L CA 0.450 55.371 54.840 0.135 0.000 0.822 286 L CB -0.508 41.683 42.059 0.220 0.000 0.952 286 L HN 0.431 nan 8.230 nan 0.000 0.455 287 R N 1.058 121.480 120.500 -0.129 0.000 2.088 287 R HA -0.203 3.923 4.340 -0.357 0.000 0.232 287 R C 2.204 178.189 176.300 -0.525 0.000 1.136 287 R CA 1.937 57.676 56.100 -0.600 0.000 0.926 287 R CB -0.267 29.749 30.300 -0.472 0.000 0.837 287 R HN 0.343 nan 8.270 nan 0.000 0.429 288 K N -0.467 119.774 120.400 -0.265 0.000 2.025 288 K HA -0.064 4.042 4.320 -0.357 0.000 0.207 288 K C -0.770 175.756 176.600 -0.123 0.000 1.049 288 K CA 1.128 57.304 56.287 -0.184 0.000 0.933 288 K CB -0.788 31.642 32.500 -0.116 0.000 0.714 288 K HN 0.156 nan 8.250 nan 0.000 0.438 289 P HA -0.168 nan 4.420 nan 0.000 0.216 289 P C 1.124 178.412 177.300 -0.020 0.000 1.150 289 P CA 1.261 64.327 63.100 -0.057 0.000 0.843 289 P CB 0.069 31.752 31.700 -0.029 0.000 0.787 290 L N -0.935 120.303 121.223 0.024 0.000 2.156 290 L HA -0.113 4.013 4.340 -0.357 0.000 0.208 290 L C 2.329 179.277 176.870 0.129 0.000 1.095 290 L CA 1.317 56.244 54.840 0.146 0.000 0.770 290 L CB -0.768 41.496 42.059 0.342 0.000 0.914 290 L HN 0.012 nan 8.230 nan 0.000 0.439 291 E N 0.379 120.588 120.200 0.015 0.000 2.106 291 E HA -0.190 3.946 4.350 -0.357 0.000 0.192 291 E C 1.735 178.350 176.600 0.024 0.000 0.984 291 E CA 1.101 57.517 56.400 0.027 0.000 0.806 291 E CB -0.142 29.517 29.700 -0.069 0.000 0.750 291 E HN 0.570 nan 8.360 nan 0.000 0.458 292 N N 0.400 119.096 118.700 -0.008 0.000 2.364 292 N HA -0.107 4.419 4.740 -0.357 0.000 0.183 292 N C 1.165 176.680 175.510 0.010 0.000 1.022 292 N CA 0.418 53.461 53.050 -0.012 0.000 0.883 292 N CB 0.073 38.536 38.487 -0.040 0.000 0.965 292 N HN 0.114 nan 8.380 nan 0.000 0.438 293 L N -0.459 120.787 121.223 0.039 0.000 2.653 293 L HA 0.240 4.366 4.340 -0.357 0.000 0.231 293 L C 1.420 178.349 176.870 0.099 0.000 1.153 293 L CA -0.085 54.796 54.840 0.068 0.000 0.933 293 L CB 0.204 42.319 42.059 0.093 0.000 1.175 293 L HN 0.221 nan 8.230 nan 0.000 0.473 294 G N 0.177 109.027 108.800 0.083 0.000 2.345 294 G HA2 -0.312 3.434 3.960 -0.357 0.000 0.218 294 G HA3 -0.312 3.434 3.960 -0.357 0.000 0.218 294 G C 0.464 175.426 174.900 0.104 0.000 1.058 294 G CA -0.258 44.890 45.100 0.081 0.000 0.632 294 G HN 0.244 nan 8.290 nan 0.000 0.508 295 M N 3.310 122.999 119.600 0.148 0.000 3.102 295 M HA 0.315 4.581 4.480 -0.357 0.000 0.269 295 M C 1.668 178.132 176.300 0.275 0.000 1.551 295 M CA 1.168 56.575 55.300 0.178 0.000 1.629 295 M CB 0.124 32.855 32.600 0.218 0.000 1.324 295 M HN 0.473 nan 8.290 nan 0.000 0.509 296 T N -3.847 110.829 114.554 0.203 0.000 2.978 296 T HA 0.071 4.207 4.350 -0.357 0.000 0.248 296 T C 1.097 175.936 174.700 0.231 0.000 1.018 296 T CA 0.020 62.273 62.100 0.255 0.000 1.026 296 T CB 0.139 69.088 68.868 0.134 0.000 1.032 296 T HN 0.335 nan 8.240 nan 0.000 0.485 297 D N 2.802 123.272 120.400 0.117 0.000 2.123 297 D HA -0.104 4.322 4.640 -0.357 0.000 0.196 297 D C 2.186 178.521 176.300 0.059 0.000 0.992 297 D CA 1.743 55.783 54.000 0.067 0.000 0.833 297 D CB -0.539 40.267 40.800 0.010 0.000 0.954 297 D HN 0.657 nan 8.370 nan 0.000 0.455 298 M N -1.352 118.243 119.600 -0.008 0.000 2.195 298 M HA -0.149 4.117 4.480 -0.357 0.000 0.260 298 M C 1.236 177.465 176.300 -0.119 0.000 1.066 298 M CA 1.609 56.870 55.300 -0.064 0.000 1.089 298 M CB -0.702 31.741 32.600 -0.262 0.000 1.377 298 M HN -0.097 nan 8.290 nan 0.000 0.411 299 F N -0.014 120.012 119.950 0.126 0.000 2.776 299 F HA 0.331 4.639 4.527 -0.365 0.000 0.300 299 F C 0.929 176.695 175.800 -0.056 0.000 1.116 299 F CA -0.405 57.642 58.000 0.078 0.000 1.375 299 F CB 0.006 39.038 39.000 0.052 0.000 1.109 299 F HN 0.026 nan 8.300 nan 0.000 0.585 300 R N 1.457 121.999 120.500 0.070 0.000 2.221 300 R HA 0.132 4.258 4.340 -0.357 0.000 0.327 300 R C 1.292 177.439 176.300 -0.256 0.000 1.033 300 R CA -0.087 55.969 56.100 -0.073 0.000 0.887 300 R CB 0.634 30.948 30.300 0.024 0.000 1.057 300 R HN 0.226 nan 8.270 nan 0.000 0.455 301 Q N 2.997 122.461 119.800 -0.559 0.000 2.112 301 Q HA -0.174 3.952 4.340 -0.357 0.000 0.206 301 Q C -0.117 175.564 176.000 -0.532 0.000 0.987 301 Q CA 1.817 57.159 55.803 -0.769 0.000 0.858 301 Q CB 0.043 28.252 28.738 -0.882 0.000 0.905 301 Q HN 0.668 nan 8.270 nan 0.000 0.420 302 F N -0.512 119.408 119.950 -0.050 0.000 2.750 302 F HA 0.277 4.591 4.527 -0.355 0.000 0.297 302 F C 1.073 176.875 175.800 0.004 0.000 1.138 302 F CA -0.151 57.847 58.000 -0.003 0.000 1.346 302 F CB 0.644 39.641 39.000 -0.005 0.000 0.965 302 F HN 0.078 nan 8.300 nan 0.000 0.514 303 Q N -0.205 119.657 119.800 0.103 0.000 2.279 303 Q HA 0.361 4.487 4.340 -0.357 0.000 0.261 303 Q C 0.931 176.961 176.000 0.050 0.000 0.796 303 Q CA -0.076 55.773 55.803 0.078 0.000 0.971 303 Q CB 0.670 29.447 28.738 0.066 0.000 1.179 303 Q HN 0.213 nan 8.270 nan 0.000 0.505 304 A N 1.884 124.741 122.820 0.062 0.000 2.520 304 A HA 0.083 4.189 4.320 -0.357 0.000 0.235 304 A C -0.252 177.379 177.584 0.078 0.000 1.065 304 A CA 0.534 52.633 52.037 0.102 0.000 0.764 304 A CB 0.186 19.357 19.000 0.285 0.000 1.002 304 A HN 0.150 nan 8.150 nan 0.000 0.502 305 D N 1.811 122.160 120.400 -0.084 0.000 2.389 305 D HA 0.400 4.826 4.640 -0.357 0.000 0.256 305 D C -1.329 174.782 176.300 -0.315 0.000 1.239 305 D CA -0.199 53.732 54.000 -0.114 0.000 0.925 305 D CB 0.225 40.948 40.800 -0.127 0.000 1.145 305 D HN 0.280 nan 8.370 nan 0.000 0.542 306 F N 1.560 121.469 119.950 -0.067 0.000 2.923 306 F HA 0.088 4.398 4.527 -0.361 0.000 0.314 306 F C 2.302 178.035 175.800 -0.112 0.000 1.196 306 F CA -0.270 57.669 58.000 -0.101 0.000 1.320 306 F CB 0.604 39.522 39.000 -0.138 0.000 0.953 306 F HN 0.239 nan 8.300 nan 0.000 0.505 307 T N -4.001 110.564 114.554 0.019 0.000 2.897 307 T HA -0.176 3.960 4.350 -0.357 0.000 0.271 307 T C 2.025 176.720 174.700 -0.009 0.000 1.084 307 T CA 1.740 63.843 62.100 0.004 0.000 1.123 307 T CB -0.311 68.558 68.868 0.002 0.000 0.865 307 T HN 0.172 nan 8.240 nan 0.000 0.496 308 S N 0.688 116.382 115.700 -0.010 0.000 2.481 308 S HA 0.182 4.438 4.470 -0.357 0.000 0.231 308 S C 1.552 176.106 174.600 -0.076 0.000 0.996 308 S CA 0.652 58.877 58.200 0.041 0.000 0.942 308 S CB -0.195 63.065 63.200 0.100 0.000 0.768 308 S HN 0.476 nan 8.310 nan 0.000 0.520 309 L N -0.029 121.027 121.223 -0.278 0.000 2.433 309 L HA 0.436 4.562 4.340 -0.357 0.000 0.200 309 L C 0.446 177.081 176.870 -0.391 0.000 1.059 309 L CA 0.862 55.264 54.840 -0.731 0.000 0.835 309 L CB 0.453 42.127 42.059 -0.642 0.000 1.076 309 L HN 0.090 nan 8.230 nan 0.000 0.481 310 S N 0.053 115.641 115.700 -0.187 0.000 2.423 310 S HA 0.247 4.503 4.470 -0.357 0.000 0.213 310 S C -0.700 173.872 174.600 -0.047 0.000 1.131 310 S CA -0.399 57.735 58.200 -0.111 0.000 1.155 310 S CB -0.123 63.002 63.200 -0.124 0.000 1.202 310 S HN 0.457 nan 8.310 nan 0.000 0.441 311 D N 2.270 122.655 120.400 -0.026 0.000 2.396 311 D HA 0.046 4.472 4.640 -0.357 0.000 0.255 311 D C 0.754 177.054 176.300 -0.000 0.000 1.224 311 D CA 0.149 54.148 54.000 -0.003 0.000 0.894 311 D CB 0.172 40.976 40.800 0.006 0.000 0.939 311 D HN 0.630 nan 8.370 nan 0.000 0.506 312 Q N 0.232 120.026 119.800 -0.011 0.000 3.072 312 Q HA 0.079 4.205 4.340 -0.357 0.000 0.231 312 Q C 0.167 176.165 176.000 -0.004 0.000 1.167 312 Q CA -0.694 55.104 55.803 -0.008 0.000 0.318 312 Q CB 0.238 28.965 28.738 -0.018 0.000 5.789 312 Q HN 0.228 nan 8.270 nan 0.000 0.322 313 E N 1.126 121.318 120.200 -0.013 0.000 2.467 313 E HA -0.010 4.126 4.350 -0.357 0.000 0.264 313 E C -2.192 174.399 176.600 -0.014 0.000 1.020 313 E CA -1.236 55.157 56.400 -0.012 0.000 0.945 313 E CB 0.424 30.107 29.700 -0.028 0.000 0.942 313 E HN 0.203 nan 8.360 nan 0.000 0.449 314 P HA 0.056 nan 4.420 nan 0.000 0.270 314 P C -0.811 176.466 177.300 -0.038 0.000 1.242 314 P CA 0.422 63.522 63.100 -0.000 0.000 0.768 314 P CB 0.371 32.068 31.700 -0.004 0.000 0.820 315 L N 4.516 125.726 121.223 -0.021 0.000 2.397 315 L HA 0.728 4.854 4.340 -0.357 0.000 0.266 315 L C 0.144 177.000 176.870 -0.024 0.000 1.040 315 L CA -0.735 54.022 54.840 -0.137 0.000 0.800 315 L CB 1.217 43.150 42.059 -0.212 0.000 1.324 315 L HN 0.644 nan 8.230 nan 0.000 0.469 316 H N -2.872 116.006 119.070 -0.320 0.000 2.967 316 H HA 0.165 4.506 4.556 -0.358 0.000 0.279 316 H C -1.506 173.582 175.328 -0.400 0.000 1.227 316 H CA -0.984 54.909 56.048 -0.258 0.000 1.549 316 H CB -0.158 29.548 29.762 -0.092 0.000 1.984 316 H HN 0.119 nan 8.280 nan 0.000 0.505 317 V N 2.510 122.252 119.914 -0.286 0.000 2.420 317 V HA 0.256 4.162 4.120 -0.357 0.000 0.274 317 V C 1.493 177.568 176.094 -0.031 0.000 1.003 317 V CA 0.961 63.094 62.300 -0.278 0.000 1.092 317 V CB -0.285 31.333 31.823 -0.342 0.000 1.002 317 V HN 1.011 nan 8.190 nan 0.000 0.473 318 A N 5.603 128.329 122.820 -0.157 0.000 2.218 318 A HA 0.465 4.571 4.320 -0.357 0.000 0.209 318 A C 0.353 177.931 177.584 -0.010 0.000 1.168 318 A CA 0.322 52.318 52.037 -0.068 0.000 0.804 318 A CB 0.052 18.887 19.000 -0.275 0.000 0.834 318 A HN 0.823 nan 8.150 nan 0.000 0.482 319 L N -1.852 119.377 121.223 0.010 0.000 3.111 319 L HA 0.560 4.686 4.340 -0.357 0.000 0.259 319 L C -1.273 175.643 176.870 0.077 0.000 0.946 319 L CA 0.054 54.923 54.840 0.048 0.000 1.119 319 L CB 0.549 42.585 42.059 -0.038 0.000 1.698 319 L HN 0.282 nan 8.230 nan 0.000 0.540 320 A N 6.275 129.199 122.820 0.174 0.000 2.335 320 A HA 0.928 5.034 4.320 -0.357 0.000 0.304 320 A C -1.244 176.434 177.584 0.157 0.000 1.118 320 A CA -0.347 51.793 52.037 0.172 0.000 0.757 320 A CB 1.070 20.226 19.000 0.260 0.000 1.188 320 A HN 1.249 nan 8.150 nan 0.000 0.460 321 L N -0.590 120.702 121.223 0.114 0.000 2.479 321 L HA 0.834 4.960 4.340 -0.357 0.000 0.255 321 L C -0.966 175.956 176.870 0.087 0.000 1.026 321 L CA -0.898 54.005 54.840 0.105 0.000 0.842 321 L CB 2.052 44.163 42.059 0.087 0.000 1.444 321 L HN 0.717 nan 8.230 nan 0.000 0.409 322 Q N 1.540 121.386 119.800 0.077 0.000 2.347 322 Q HA 0.521 4.647 4.340 -0.357 0.000 0.271 322 Q C -1.804 174.235 176.000 0.066 0.000 1.064 322 Q CA -0.792 55.033 55.803 0.037 0.000 0.800 322 Q CB 2.981 31.668 28.738 -0.085 0.000 1.304 322 Q HN 0.714 nan 8.270 nan 0.000 0.438 323 K N 2.722 123.175 120.400 0.088 0.000 2.426 323 K HA 0.603 4.709 4.320 -0.357 0.000 0.254 323 K C -1.886 174.804 176.600 0.151 0.000 0.936 323 K CA -0.619 55.743 56.287 0.124 0.000 0.801 323 K CB 1.953 34.532 32.500 0.132 0.000 1.139 323 K HN 0.437 nan 8.250 nan 0.000 0.424 324 V N 4.267 124.284 119.914 0.172 0.000 2.569 324 V HA 0.342 4.248 4.120 -0.357 0.000 0.301 324 V C -0.962 175.244 176.094 0.186 0.000 1.044 324 V CA -0.945 61.480 62.300 0.209 0.000 0.874 324 V CB 1.749 33.727 31.823 0.257 0.000 1.002 324 V HN 0.721 nan 8.190 nan 0.000 0.424 325 K N 4.171 124.677 120.400 0.176 0.000 2.263 325 K HA 0.638 4.744 4.320 -0.357 0.000 0.272 325 K C -0.991 175.588 176.600 -0.036 0.000 1.033 325 K CA -0.597 55.779 56.287 0.150 0.000 0.884 325 K CB 1.970 34.647 32.500 0.294 0.000 1.107 325 K HN 0.530 nan 8.250 nan 0.000 0.460 326 I N 2.166 122.711 120.570 -0.041 0.000 2.474 326 I HA 0.219 4.175 4.170 -0.357 0.000 0.294 326 I C -1.092 174.889 176.117 -0.225 0.000 1.005 326 I CA -0.330 60.857 61.300 -0.188 0.000 1.113 326 I CB 1.531 39.528 38.000 -0.005 0.000 1.289 326 I HN 0.555 nan 8.210 nan 0.000 0.436 327 E N 5.835 125.784 120.200 -0.418 0.000 2.256 327 E HA 0.564 4.700 4.350 -0.357 0.000 0.268 327 E C -1.576 174.683 176.600 -0.569 0.000 0.877 327 E CA -0.792 55.350 56.400 -0.430 0.000 0.757 327 E CB 2.607 32.117 29.700 -0.317 0.000 1.183 327 E HN 0.325 nan 8.360 nan 0.000 0.418 328 V N 4.730 124.239 119.914 -0.676 0.000 2.443 328 V HA 0.352 4.258 4.120 -0.357 0.000 0.293 328 V C -0.113 175.755 176.094 -0.377 0.000 1.021 328 V CA -0.709 61.219 62.300 -0.620 0.000 0.848 328 V CB 1.114 32.280 31.823 -1.096 0.000 0.998 328 V HN 0.709 nan 8.190 nan 0.000 0.424 329 N N 2.915 121.504 118.700 -0.185 0.000 3.229 329 N HA 0.360 4.885 4.740 -0.357 0.000 0.315 329 N C 0.487 176.027 175.510 0.049 0.000 1.520 329 N CA -0.644 52.347 53.050 -0.098 0.000 0.769 329 N CB 1.586 40.016 38.487 -0.095 0.000 1.766 329 N HN 0.195 nan 8.380 nan 0.000 0.618 330 E N 0.513 120.734 120.200 0.035 0.000 2.048 330 E HA -0.173 3.963 4.350 -0.357 0.000 0.202 330 E C 1.011 177.874 176.600 0.438 0.000 1.021 330 E CA 2.681 59.165 56.400 0.140 0.000 0.825 330 E CB -0.236 29.535 29.700 0.119 0.000 0.756 330 E HN 0.721 nan 8.360 nan 0.000 0.454 331 S N -2.593 113.312 115.700 0.342 0.000 4.302 331 S HA 0.530 4.785 4.470 -0.357 0.000 0.218 331 S C 1.521 176.176 174.600 0.091 0.000 1.068 331 S CA -0.270 58.178 58.200 0.413 0.000 1.744 331 S CB 0.364 63.692 63.200 0.212 0.000 0.931 331 S HN 0.180 nan 8.310 nan 0.000 0.734 332 G N 0.404 109.192 108.800 -0.020 0.000 2.986 332 G HA2 0.420 4.165 3.960 -0.357 0.000 0.213 332 G HA3 0.420 4.165 3.960 -0.357 0.000 0.213 332 G C 0.015 174.828 174.900 -0.145 0.000 1.156 332 G CA 0.484 45.472 45.100 -0.187 0.000 0.763 332 G HN 1.914 nan 8.290 nan 0.000 0.547 333 T N -2.988 111.530 114.554 -0.060 0.000 3.242 333 T HA 0.156 4.292 4.350 -0.357 0.000 0.371 333 T C -0.694 173.995 174.700 -0.019 0.000 0.770 333 T CA -0.370 61.705 62.100 -0.043 0.000 1.470 333 T CB -1.706 67.120 68.868 -0.068 0.000 1.478 333 T HN 1.491 nan 8.240 nan 0.000 0.461 334 V N 0.111 120.027 119.914 0.004 0.000 3.167 334 V HA 1.094 5.000 4.120 -0.357 0.000 0.310 334 V C 0.680 176.779 176.094 0.008 0.000 1.207 334 V CA -0.715 61.591 62.300 0.009 0.000 1.059 334 V CB 1.307 33.144 31.823 0.025 0.000 1.079 334 V HN 2.031 nan 8.190 nan 0.000 0.446 335 A N 1.142 123.966 122.820 0.007 0.000 2.336 335 A HA 0.988 5.094 4.320 -0.357 0.000 0.278 335 A C 0.477 178.068 177.584 0.012 0.000 1.371 335 A CA 0.300 52.340 52.037 0.006 0.000 0.842 335 A CB 0.358 19.360 19.000 0.003 0.000 1.363 335 A HN 2.581 nan 8.150 nan 0.000 0.517 336 S N -2.256 113.450 115.700 0.009 0.000 2.627 336 S HA 0.494 4.750 4.470 -0.357 0.000 0.268 336 S C -0.436 174.169 174.600 0.008 0.000 1.130 336 S CA 0.068 58.275 58.200 0.012 0.000 0.819 336 S CB 0.462 63.671 63.200 0.015 0.000 1.100 336 S HN 1.531 nan 8.310 nan 0.000 0.465 337 S N 0.108 115.813 115.700 0.008 0.000 2.576 337 S HA 0.443 4.699 4.470 -0.357 0.000 0.276 337 S C 0.921 175.525 174.600 0.007 0.000 1.339 337 S CA -0.179 58.025 58.200 0.006 0.000 1.039 337 S CB 0.511 63.714 63.200 0.005 0.000 0.902 337 S HN 0.706 nan 8.310 nan 0.000 0.516 338 S N 2.034 117.737 115.700 0.006 0.000 2.528 338 S HA 0.170 4.426 4.470 -0.357 0.000 0.219 338 S C -0.126 174.478 174.600 0.007 0.000 0.985 338 S CA 0.113 58.317 58.200 0.006 0.000 0.914 338 S CB 0.293 63.496 63.200 0.005 0.000 0.776 338 S HN 0.777 nan 8.310 nan 0.000 0.526 339 T N 1.946 116.503 114.554 0.006 0.000 3.509 339 T HA 0.431 4.567 4.350 -0.357 0.000 0.330 339 T C -0.926 173.777 174.700 0.005 0.000 0.851 339 T CA -0.549 61.554 62.100 0.006 0.000 1.057 339 T CB 1.201 70.072 68.868 0.006 0.000 1.023 339 T HN 0.123 nan 8.240 nan 0.000 0.470 340 A N 3.150 125.973 122.820 0.005 0.000 2.269 340 A HA 0.626 4.732 4.320 -0.357 0.000 0.302 340 A C 1.386 178.972 177.584 0.003 0.000 1.266 340 A CA -0.514 51.525 52.037 0.003 0.000 0.894 340 A CB 0.154 19.155 19.000 0.002 0.000 1.147 340 A HN 0.688 nan 8.150 nan 0.000 0.537 341 V N 3.612 123.527 119.914 0.002 0.000 2.261 341 V HA -0.132 3.774 4.120 -0.357 0.000 0.246 341 V C 1.191 177.286 176.094 0.000 0.000 1.047 341 V CA 1.266 63.567 62.300 0.002 0.000 1.015 341 V CB -0.940 30.883 31.823 0.001 0.000 0.642 341 V HN 0.715 nan 8.190 nan 0.000 0.446 342 I N -0.445 120.124 120.570 -0.002 0.000 2.918 342 I HA 0.466 4.422 4.170 -0.357 0.000 0.316 342 I C -0.252 175.860 176.117 -0.008 0.000 1.001 342 I CA -0.607 60.690 61.300 -0.005 0.000 1.142 342 I CB 1.373 39.369 38.000 -0.006 0.000 1.356 342 I HN -0.084 nan 8.210 nan 0.000 0.524 343 V N 2.229 122.136 119.914 -0.012 0.000 3.029 343 V HA 0.165 4.071 4.120 -0.357 0.000 0.253 343 V C -0.286 175.794 176.094 -0.023 0.000 0.859 343 V CA -0.296 61.991 62.300 -0.020 0.000 0.970 343 V CB 1.013 32.821 31.823 -0.025 0.000 1.003 343 V HN 0.837 nan 8.190 nan 0.000 0.507 344 S N 1.932 117.618 115.700 -0.023 0.000 2.718 344 S HA 1.004 5.260 4.470 -0.357 0.000 0.300 344 S C 0.006 174.588 174.600 -0.030 0.000 1.117 344 S CA -0.043 58.144 58.200 -0.023 0.000 1.002 344 S CB 2.284 65.472 63.200 -0.019 0.000 1.092 344 S HN 1.382 nan 8.310 nan 0.000 0.542 345 A N 1.144 123.946 122.820 -0.029 0.000 2.586 345 A HA 0.597 4.703 4.320 -0.357 0.000 0.296 345 A C -1.419 176.146 177.584 -0.031 0.000 1.040 345 A CA -1.052 50.964 52.037 -0.035 0.000 0.701 345 A CB 0.605 19.581 19.000 -0.040 0.000 1.277 345 A HN 0.637 nan 8.150 nan 0.000 0.413 346 R N 0.851 121.330 120.500 -0.034 0.000 2.570 346 R HA 0.394 4.520 4.340 -0.357 0.000 0.277 346 R C 0.356 176.640 176.300 -0.026 0.000 1.039 346 R CA 0.495 56.577 56.100 -0.030 0.000 1.065 346 R CB 0.019 30.298 30.300 -0.034 0.000 0.964 346 R HN 0.726 nan 8.270 nan 0.000 0.428 347 M N 1.982 121.570 119.600 -0.021 0.000 2.243 347 M HA 0.247 4.513 4.480 -0.357 0.000 0.341 347 M C 0.243 176.531 176.300 -0.020 0.000 1.130 347 M CA 0.274 55.562 55.300 -0.019 0.000 1.162 347 M CB 1.122 33.712 32.600 -0.016 0.000 1.497 347 M HN 0.685 nan 8.290 nan 0.000 0.456 348 A N 3.664 126.473 122.820 -0.019 0.000 2.350 348 A HA 0.776 4.882 4.320 -0.357 0.000 0.318 348 A C -1.761 175.809 177.584 -0.023 0.000 1.132 348 A CA -1.344 50.681 52.037 -0.019 0.000 0.811 348 A CB 0.493 19.484 19.000 -0.015 0.000 1.313 348 A HN 0.711 nan 8.150 nan 0.000 0.454 349 P HA -0.055 nan 4.420 nan 0.000 0.210 349 P C -0.114 177.163 177.300 -0.038 0.000 1.189 349 P CA 1.281 64.366 63.100 -0.026 0.000 0.920 349 P CB 0.082 31.769 31.700 -0.021 0.000 0.782 350 E N 0.066 120.232 120.200 -0.056 0.000 2.264 350 E HA 0.347 4.483 4.350 -0.357 0.000 0.260 350 E C 0.059 176.600 176.600 -0.098 0.000 0.961 350 E CA -0.539 55.812 56.400 -0.081 0.000 0.834 350 E CB 1.659 31.294 29.700 -0.108 0.000 1.230 350 E HN 0.442 nan 8.360 nan 0.000 0.412 351 E N 0.138 120.268 120.200 -0.117 0.000 2.317 351 E HA 0.623 4.759 4.350 -0.357 0.000 0.270 351 E C -0.759 175.736 176.600 -0.175 0.000 0.885 351 E CA -0.705 55.618 56.400 -0.127 0.000 0.760 351 E CB 1.553 31.204 29.700 -0.082 0.000 1.227 351 E HN 0.259 nan 8.360 nan 0.000 0.434 352 I N 2.899 123.343 120.570 -0.210 0.000 2.382 352 I HA 0.285 4.241 4.170 -0.357 0.000 0.286 352 I C -0.742 175.268 176.117 -0.178 0.000 1.002 352 I CA -1.117 60.042 61.300 -0.235 0.000 1.135 352 I CB 1.240 39.058 38.000 -0.305 0.000 1.288 352 I HN 0.481 nan 8.210 nan 0.000 0.448 353 I N 7.325 127.809 120.570 -0.144 0.000 2.330 353 I HA 0.254 4.210 4.170 -0.357 0.000 0.286 353 I C 0.174 176.244 176.117 -0.078 0.000 1.025 353 I CA -0.574 60.673 61.300 -0.088 0.000 1.197 353 I CB 1.308 39.270 38.000 -0.062 0.000 1.358 353 I HN 0.382 nan 8.210 nan 0.000 0.467 354 I N 6.697 127.231 120.570 -0.060 0.000 2.213 354 I HA 0.057 4.013 4.170 -0.357 0.000 0.295 354 I C 0.747 176.957 176.117 0.155 0.000 1.172 354 I CA 0.087 61.374 61.300 -0.022 0.000 1.443 354 I CB -0.805 37.081 38.000 -0.189 0.000 1.491 354 I HN 0.511 nan 8.210 nan 0.000 0.652 355 D N 3.237 123.703 120.400 0.111 0.000 2.402 355 D HA 0.089 4.515 4.640 -0.357 0.000 0.216 355 D C 0.674 176.793 176.300 -0.302 0.000 1.128 355 D CA -0.396 53.695 54.000 0.153 0.000 0.833 355 D CB 0.401 41.249 40.800 0.080 0.000 0.971 355 D HN 0.487 nan 8.370 nan 0.000 0.503 356 R N -1.083 119.318 120.500 -0.166 0.000 2.919 356 R HA 0.687 4.813 4.340 -0.357 0.000 0.260 356 R C -3.003 173.356 176.300 0.097 0.000 1.067 356 R CA -2.250 53.633 56.100 -0.362 0.000 1.003 356 R CB 0.089 30.280 30.300 -0.183 0.000 1.192 356 R HN -0.281 nan 8.270 nan 0.000 0.488 357 P HA -0.017 nan 4.420 nan 0.000 0.265 357 P C -1.216 176.265 177.300 0.302 0.000 1.193 357 P CA 0.239 63.533 63.100 0.324 0.000 0.765 357 P CB 0.181 31.975 31.700 0.157 0.000 0.823 358 F N 2.166 122.253 119.950 0.228 0.000 2.679 358 F HA 0.833 5.146 4.527 -0.358 0.000 0.341 358 F C -1.452 174.477 175.800 0.215 0.000 1.095 358 F CA -1.582 56.541 58.000 0.204 0.000 1.004 358 F CB 0.623 39.740 39.000 0.195 0.000 1.388 358 F HN 0.040 nan 8.300 nan 0.000 0.505 359 L N 1.954 123.472 121.223 0.492 0.000 2.386 359 L HA 0.704 4.830 4.340 -0.357 0.000 0.271 359 L C -1.249 175.934 176.870 0.520 0.000 0.993 359 L CA -1.007 54.038 54.840 0.342 0.000 0.819 359 L CB 1.743 43.973 42.059 0.285 0.000 1.294 359 L HN 0.710 nan 8.230 nan 0.000 0.414 360 F N 3.533 123.688 119.950 0.342 0.000 2.593 360 F HA 0.930 5.238 4.527 -0.366 0.000 0.320 360 F C -1.417 174.576 175.800 0.321 0.000 1.060 360 F CA -1.200 57.047 58.000 0.411 0.000 0.940 360 F CB 1.727 41.050 39.000 0.539 0.000 1.268 360 F HN 0.153 nan 8.300 nan 0.000 0.475 361 V N 3.020 123.278 119.914 0.573 0.000 2.655 361 V HA 0.396 4.302 4.120 -0.357 0.000 0.301 361 V C -1.169 175.257 176.094 0.552 0.000 1.082 361 V CA -0.746 61.784 62.300 0.385 0.000 0.899 361 V CB 1.883 33.849 31.823 0.239 0.000 1.014 361 V HN 0.828 nan 8.190 nan 0.000 0.429 362 V N 6.676 126.875 119.914 0.475 0.000 2.350 362 V HA 0.601 4.507 4.120 -0.357 0.000 0.276 362 V C 0.221 176.451 176.094 0.227 0.000 1.028 362 V CA -0.509 62.043 62.300 0.419 0.000 0.860 362 V CB 1.503 33.515 31.823 0.316 0.000 0.990 362 V HN 0.949 nan 8.190 nan 0.000 0.453 363 R N 2.655 123.303 120.500 0.246 0.000 2.803 363 R HA 0.559 4.685 4.340 -0.357 0.000 0.276 363 R C -0.746 175.617 176.300 0.104 0.000 0.978 363 R CA -0.939 55.227 56.100 0.111 0.000 0.939 363 R CB 1.503 31.835 30.300 0.053 0.000 1.179 363 R HN 0.683 nan 8.270 nan 0.000 0.472 364 H N 2.036 121.063 119.070 -0.072 0.000 3.008 364 H HA 0.194 4.536 4.556 -0.357 0.000 0.268 364 H C 0.183 175.460 175.328 -0.084 0.000 1.323 364 H CA 0.116 56.092 56.048 -0.121 0.000 1.401 364 H CB -0.016 29.646 29.762 -0.167 0.000 1.556 364 H HN 0.815 nan 8.280 nan 0.000 0.502 365 N N 4.131 122.675 118.700 -0.260 0.000 2.133 365 N HA -0.201 4.325 4.740 -0.357 0.000 0.193 365 N C -0.889 174.470 175.510 -0.251 0.000 1.012 365 N CA 1.459 54.399 53.050 -0.184 0.000 0.871 365 N CB -0.307 38.116 38.487 -0.106 0.000 1.011 365 N HN 0.557 nan 8.380 nan 0.000 0.435 366 P HA -0.146 nan 4.420 nan 0.000 0.214 366 P C 1.641 178.882 177.300 -0.097 0.000 1.163 366 P CA 1.696 64.621 63.100 -0.291 0.000 0.883 366 P CB -0.141 31.320 31.700 -0.397 0.000 0.788 367 T N -5.692 108.868 114.554 0.009 0.000 3.009 367 T HA 0.270 4.406 4.350 -0.357 0.000 0.258 367 T C 1.663 176.382 174.700 0.031 0.000 1.063 367 T CA 1.022 63.176 62.100 0.090 0.000 1.139 367 T CB -0.611 68.377 68.868 0.201 0.000 0.890 367 T HN 0.259 nan 8.240 nan 0.000 0.471 368 G N 0.754 109.555 108.800 0.002 0.000 2.195 368 G HA2 -0.209 3.537 3.960 -0.357 0.000 0.224 368 G HA3 -0.209 3.537 3.960 -0.357 0.000 0.224 368 G C 0.269 175.133 174.900 -0.061 0.000 0.990 368 G CA -0.025 45.051 45.100 -0.040 0.000 0.639 368 G HN 0.740 nan 8.290 nan 0.000 0.514 369 T N 1.149 115.692 114.554 -0.017 0.000 2.923 369 T HA 0.287 4.423 4.350 -0.357 0.000 0.304 369 T C 0.902 175.559 174.700 -0.073 0.000 1.044 369 T CA 0.699 62.768 62.100 -0.051 0.000 1.141 369 T CB 1.669 70.478 68.868 -0.099 0.000 1.023 369 T HN 0.611 nan 8.240 nan 0.000 0.533 370 V N 6.555 126.420 119.914 -0.081 0.000 2.222 370 V HA 0.097 4.003 4.120 -0.357 0.000 0.253 370 V C 1.654 177.686 176.094 -0.103 0.000 1.210 370 V CA -0.003 62.247 62.300 -0.084 0.000 1.079 370 V CB -0.638 31.127 31.823 -0.096 0.000 1.265 370 V HN 0.829 nan 8.190 nan 0.000 0.494 371 L N 2.547 123.660 121.223 -0.183 0.000 1.971 371 L HA -0.086 4.040 4.340 -0.357 0.000 0.215 371 L C 0.485 176.920 176.870 -0.725 0.000 1.072 371 L CA 2.138 56.700 54.840 -0.463 0.000 0.758 371 L CB -0.170 41.595 42.059 -0.491 0.000 0.889 371 L HN 0.394 nan 8.230 nan 0.000 0.433 372 F N -2.072 117.870 119.950 -0.014 0.000 2.588 372 F HA 0.603 4.903 4.527 -0.379 0.000 0.314 372 F C 0.001 175.782 175.800 -0.032 0.000 1.069 372 F CA -0.623 57.400 58.000 0.039 0.000 0.931 372 F CB 1.849 40.927 39.000 0.131 0.000 1.260 372 F HN -0.220 nan 8.300 nan 0.000 0.465 373 M N 1.122 120.716 119.600 -0.010 0.000 2.520 373 M HA 0.809 5.075 4.480 -0.357 0.000 0.280 373 M C -1.227 174.545 176.300 -0.880 0.000 1.232 373 M CA -0.116 54.854 55.300 -0.549 0.000 0.892 373 M CB 2.751 34.938 32.600 -0.689 0.000 1.728 373 M HN 0.823 nan 8.290 nan 0.000 0.475 374 G N 1.968 110.028 108.800 -1.233 0.000 2.328 374 G HA2 0.414 4.160 3.960 -0.357 0.000 0.295 374 G HA3 0.414 4.160 3.960 -0.357 0.000 0.295 374 G C -2.601 172.052 174.900 -0.411 0.000 1.413 374 G CA -0.771 43.909 45.100 -0.700 0.000 0.817 374 G HN 0.871 nan 8.290 nan 0.000 0.546 375 Q N -0.559 119.246 119.800 0.007 0.000 2.321 375 Q HA 0.673 4.799 4.340 -0.357 0.000 0.270 375 Q C -1.351 174.588 176.000 -0.103 0.000 1.032 375 Q CA -1.029 54.772 55.803 -0.003 0.000 0.784 375 Q CB 2.752 31.547 28.738 0.095 0.000 1.264 375 Q HN 0.397 nan 8.270 nan 0.000 0.448 376 V N 4.758 124.413 119.914 -0.432 0.000 2.320 376 V HA 0.120 4.026 4.120 -0.357 0.000 0.265 376 V C 0.560 176.412 176.094 -0.403 0.000 1.048 376 V CA -0.417 61.497 62.300 -0.644 0.000 0.865 376 V CB 0.724 31.647 31.823 -1.499 0.000 1.043 376 V HN 0.949 nan 8.190 nan 0.000 0.474 377 M N 2.232 121.746 119.600 -0.143 0.000 2.510 377 M HA 0.272 4.538 4.480 -0.357 0.000 0.256 377 M C 0.692 177.094 176.300 0.170 0.000 1.132 377 M CA 0.684 56.011 55.300 0.045 0.000 1.105 377 M CB -0.174 32.454 32.600 0.047 0.000 1.375 377 M HN 0.733 nan 8.290 nan 0.000 0.477 378 E N 1.630 121.800 120.200 -0.049 0.000 2.639 378 E HA 0.202 4.338 4.350 -0.357 0.000 0.378 378 E C -2.554 173.887 176.600 -0.265 0.000 1.002 378 E CA -0.862 55.466 56.400 -0.119 0.000 0.747 378 E CB 1.783 31.516 29.700 0.055 0.000 1.571 378 E HN -0.012 nan 8.360 nan 0.000 0.382 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.951 63.100 -0.248 0.000 0.800 379 P CB 0.000 31.537 31.700 -0.272 0.000 0.726