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 3hfv_1_A DATA FIRST_RESID 11 DATA SEQUENCE PGSVVELLGK SYPQDDHSNL TRKVLTRVGR NLHNQQHHPL WLIKERVKEH DATA SEQUENCE FYKQYVGRFG TPLFSVYDNL SPVVTTWQNF DSLLIPADHP SRKKGDNYYL DATA SEQUENCE NRTHMLRAHT SAHQWDLLHA GLDAFLVVGD VYRRDQIDSQ HYPIFHQLEA DATA SEQUENCE VRLFSKHELF AGIKDGESLQ LFEQSSRSAH KQETHTMEAV KLVEFDLKQT DATA SEQUENCE LTRLMAHLFG DELEIRWVDC YFPFTHPSFE MEINFHGEWL EVLGCGVMEQ DATA SEQUENCE QLVNSAGAQD RIGWAFGLGL ERLAMILYDI PDIRLFWCED ERFLKQFCVS DATA SEQUENCE NINQKVKFQP LSKYPAVIND ISFWLPSENY AENDFYDLVR TIGGDLVEKV DATA SEQUENCE DLIDKFVHPK THKTSHCYRI TYRHMERTLS QREVRHIHQA LQEAAVQLLG DATA SEQUENCE VEGRF 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 11 P HA 0.000 nan 4.420 nan 0.000 0.216 11 P C 0.000 177.311 177.300 0.018 0.000 1.155 11 P CA 0.000 63.110 63.100 0.017 0.000 0.800 11 P CB 0.000 31.712 31.700 0.019 0.000 0.726 12 G N -0.747 108.067 108.800 0.022 0.000 2.336 12 G HA2 0.425 4.377 3.960 -0.013 0.000 0.286 12 G HA3 0.425 4.377 3.960 -0.013 0.000 0.286 12 G C -0.017 174.900 174.900 0.028 0.000 1.269 12 G CA 0.893 46.006 45.100 0.022 0.000 0.873 12 G HN 0.635 nan 8.290 nan 0.000 0.494 13 S N -2.078 113.638 115.700 0.027 0.000 2.655 13 S HA 0.453 4.915 4.470 -0.013 0.000 0.231 13 S C 0.574 175.196 174.600 0.035 0.000 1.044 13 S CA 1.307 59.523 58.200 0.027 0.000 0.910 13 S CB 0.043 63.253 63.200 0.018 0.000 0.833 13 S HN 1.004 nan 8.310 nan 0.000 0.581 14 V N 2.096 122.031 119.914 0.034 0.000 2.715 14 V HA 0.672 4.784 4.120 -0.013 0.000 0.310 14 V C -0.784 175.346 176.094 0.060 0.000 1.054 14 V CA -0.751 61.575 62.300 0.043 0.000 0.928 14 V CB 1.808 33.643 31.823 0.020 0.000 1.007 14 V HN 0.254 nan 8.190 nan 0.000 0.437 15 V N 3.032 123.008 119.914 0.103 0.000 2.555 15 V HA 0.493 4.605 4.120 -0.013 0.000 0.302 15 V C -0.410 175.783 176.094 0.165 0.000 1.038 15 V CA -0.652 61.717 62.300 0.115 0.000 0.887 15 V CB 1.911 33.800 31.823 0.110 0.000 0.991 15 V HN 0.984 nan 8.190 nan 0.000 0.434 16 E N 4.676 124.941 120.200 0.108 0.000 2.155 16 E HA 0.623 4.965 4.350 -0.013 0.000 0.264 16 E C -1.431 175.233 176.600 0.106 0.000 0.886 16 E CA -0.806 55.654 56.400 0.100 0.000 0.752 16 E CB 2.643 32.366 29.700 0.038 0.000 1.133 16 E HN 0.328 nan 8.360 nan 0.000 0.414 17 L N 4.090 125.417 121.223 0.173 0.000 2.409 17 L HA 0.314 4.647 4.340 -0.013 0.000 0.272 17 L C -0.358 176.580 176.870 0.114 0.000 0.980 17 L CA -0.470 54.443 54.840 0.121 0.000 0.826 17 L CB 1.253 43.365 42.059 0.088 0.000 1.268 17 L HN 0.736 nan 8.230 nan 0.000 0.407 18 L N 6.131 127.390 121.223 0.060 0.000 3.742 18 L HA -0.264 4.068 4.340 -0.013 0.000 0.431 18 L C 1.183 178.078 176.870 0.042 0.000 1.220 18 L CA 0.910 55.780 54.840 0.050 0.000 0.863 18 L CB -1.878 40.215 42.059 0.056 0.000 1.751 18 L HN 1.131 nan 8.230 nan 0.000 0.922 19 G N -1.458 107.359 108.800 0.030 0.000 2.159 19 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.256 19 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.256 19 G C 0.263 175.151 174.900 -0.020 0.000 0.977 19 G CA 0.684 45.788 45.100 0.006 0.000 0.652 19 G HN 0.454 nan 8.290 nan 0.000 0.531 20 K N -0.255 120.138 120.400 -0.012 0.000 2.340 20 K HA 0.675 4.987 4.320 -0.013 0.000 0.244 20 K C -0.810 175.637 176.600 -0.256 0.000 0.973 20 K CA -0.570 55.631 56.287 -0.145 0.000 0.828 20 K CB 2.112 34.510 32.500 -0.170 0.000 1.226 20 K HN 0.076 nan 8.250 nan 0.000 0.437 21 S N 1.171 116.567 115.700 -0.507 0.000 2.454 21 S HA 0.529 4.991 4.470 -0.013 0.000 0.306 21 S C -1.667 172.512 174.600 -0.703 0.000 1.100 21 S CA -0.569 57.398 58.200 -0.389 0.000 1.087 21 S CB 0.305 63.375 63.200 -0.217 0.000 1.019 21 S HN 0.409 nan 8.310 nan 0.000 0.480 22 Y N 4.538 124.806 120.300 -0.053 0.000 2.363 22 Y HA 0.370 4.912 4.550 -0.013 0.000 0.325 22 Y C -2.152 173.742 175.900 -0.009 0.000 0.984 22 Y CA -2.273 55.799 58.100 -0.047 0.000 1.248 22 Y CB 1.418 39.852 38.460 -0.043 0.000 1.116 22 Y HN 0.489 nan 8.280 nan 0.000 0.470 23 P HA -0.020 nan 4.420 nan 0.000 0.265 23 P C -0.591 176.773 177.300 0.106 0.000 1.193 23 P CA 0.013 63.155 63.100 0.070 0.000 0.765 23 P CB 1.000 32.727 31.700 0.045 0.000 0.823 24 Q N 2.486 122.337 119.800 0.085 0.000 2.260 24 Q HA 0.399 4.731 4.340 -0.013 0.000 0.238 24 Q C 0.276 176.321 176.000 0.076 0.000 0.948 24 Q CA 0.226 56.083 55.803 0.089 0.000 0.895 24 Q CB 1.120 29.901 28.738 0.071 0.000 1.218 24 Q HN 0.611 nan 8.270 nan 0.000 0.470 25 D N -1.878 118.571 120.400 0.083 0.000 2.779 25 D HA -0.005 4.627 4.640 -0.013 0.000 0.331 25 D C 0.019 176.363 176.300 0.074 0.000 1.331 25 D CA -0.412 53.632 54.000 0.073 0.000 0.866 25 D CB -0.093 40.754 40.800 0.077 0.000 1.409 25 D HN 0.446 nan 8.370 nan 0.000 0.486 26 D N -0.855 119.584 120.400 0.064 0.000 2.322 26 D HA -0.267 4.365 4.640 -0.013 0.000 0.210 26 D C 0.841 177.115 176.300 -0.044 0.000 0.983 26 D CA 1.476 55.488 54.000 0.019 0.000 0.902 26 D CB -0.290 40.525 40.800 0.026 0.000 0.905 26 D HN 0.438 nan 8.370 nan 0.000 0.483 27 H N 0.187 119.220 119.070 -0.061 0.000 2.486 27 H HA 0.171 4.720 4.556 -0.013 0.000 0.287 27 H C 0.677 176.012 175.328 0.011 0.000 1.010 27 H CA 0.395 56.373 56.048 -0.116 0.000 1.324 27 H CB 0.351 29.947 29.762 -0.277 0.000 1.446 27 H HN -0.048 nan 8.280 nan 0.000 0.537 28 S N 1.741 117.538 115.700 0.161 0.000 2.552 28 S HA -0.006 4.456 4.470 -0.013 0.000 0.289 28 S C 0.661 175.342 174.600 0.135 0.000 1.304 28 S CA 0.404 58.705 58.200 0.168 0.000 1.063 28 S CB 0.204 63.477 63.200 0.122 0.000 0.848 28 S HN 0.709 nan 8.310 nan 0.000 0.499 29 N N 0.892 119.691 118.700 0.165 0.000 2.228 29 N HA 0.060 4.792 4.740 -0.013 0.000 0.237 29 N C -0.788 174.832 175.510 0.184 0.000 1.382 29 N CA -0.297 52.836 53.050 0.139 0.000 0.787 29 N CB -0.556 38.004 38.487 0.123 0.000 1.320 29 N HN 0.484 nan 8.380 nan 0.000 0.507 30 L N 2.183 123.495 121.223 0.149 0.000 2.410 30 L HA 0.262 4.594 4.340 -0.013 0.000 0.273 30 L C 0.420 177.306 176.870 0.027 0.000 1.144 30 L CA 0.047 54.940 54.840 0.087 0.000 0.863 30 L CB 0.686 42.730 42.059 -0.025 0.000 1.140 30 L HN 0.361 nan 8.230 nan 0.000 0.463 31 T N 1.198 115.750 114.554 -0.002 0.000 2.909 31 T HA 0.184 4.527 4.350 -0.013 0.000 0.289 31 T C 1.131 175.783 174.700 -0.081 0.000 1.005 31 T CA -0.673 61.410 62.100 -0.027 0.000 1.084 31 T CB 1.411 70.272 68.868 -0.013 0.000 0.975 31 T HN 0.692 nan 8.240 nan 0.000 0.509 32 R N 1.132 121.602 120.500 -0.051 0.000 2.117 32 R HA -0.184 4.148 4.340 -0.013 0.000 0.243 32 R C 2.135 178.395 176.300 -0.067 0.000 1.143 32 R CA 1.941 58.011 56.100 -0.051 0.000 0.968 32 R CB -0.334 29.951 30.300 -0.025 0.000 0.863 32 R HN 0.744 nan 8.270 nan 0.000 0.444 33 K N 0.057 120.414 120.400 -0.071 0.000 2.103 33 K HA -0.104 4.208 4.320 -0.013 0.000 0.207 33 K C 1.726 178.253 176.600 -0.121 0.000 1.048 33 K CA 1.732 57.971 56.287 -0.080 0.000 0.930 33 K CB -0.198 32.253 32.500 -0.081 0.000 0.716 33 K HN 0.090 nan 8.250 nan 0.000 0.444 34 V N 1.142 120.948 119.914 -0.179 0.000 2.302 34 V HA -0.155 3.957 4.120 -0.013 0.000 0.243 34 V C 2.246 178.222 176.094 -0.197 0.000 1.036 34 V CA 1.449 63.598 62.300 -0.251 0.000 1.020 34 V CB -0.681 30.846 31.823 -0.493 0.000 0.657 34 V HN 0.501 nan 8.190 nan 0.000 0.453 35 L N 1.519 122.628 121.223 -0.190 0.000 2.113 35 L HA -0.296 4.036 4.340 -0.013 0.000 0.221 35 L C 2.472 179.304 176.870 -0.064 0.000 1.084 35 L CA 3.156 57.916 54.840 -0.133 0.000 0.787 35 L CB -1.387 40.619 42.059 -0.089 0.000 0.893 35 L HN 0.569 nan 8.230 nan 0.000 0.440 36 T N -4.169 110.360 114.554 -0.043 0.000 3.098 36 T HA -0.078 4.264 4.350 -0.013 0.000 0.266 36 T C 1.830 176.556 174.700 0.044 0.000 1.145 36 T CA 0.998 63.100 62.100 0.004 0.000 1.092 36 T CB -0.324 68.546 68.868 0.004 0.000 0.908 36 T HN 0.334 nan 8.240 nan 0.000 0.526 37 R N 0.411 120.935 120.500 0.040 0.000 2.237 37 R HA 0.397 4.729 4.340 -0.013 0.000 0.195 37 R C 0.317 176.753 176.300 0.227 0.000 0.956 37 R CA -0.179 55.999 56.100 0.130 0.000 1.029 37 R CB -0.320 29.999 30.300 0.030 0.000 0.972 37 R HN 0.317 nan 8.270 nan 0.000 0.493 38 V N 0.515 120.512 119.914 0.139 0.000 2.585 38 V HA 0.254 4.366 4.120 -0.013 0.000 0.296 38 V C 1.443 177.620 176.094 0.138 0.000 1.035 38 V CA 1.349 63.733 62.300 0.139 0.000 1.084 38 V CB 0.783 32.582 31.823 -0.041 0.000 0.953 38 V HN 0.728 nan 8.190 nan 0.000 0.483 39 G N 4.971 113.876 108.800 0.175 0.000 2.258 39 G HA2 -0.336 3.616 3.960 -0.013 0.000 0.233 39 G HA3 -0.336 3.616 3.960 -0.013 0.000 0.233 39 G C 1.060 176.046 174.900 0.145 0.000 1.006 39 G CA 0.615 45.795 45.100 0.134 0.000 0.620 39 G HN 0.741 nan 8.290 nan 0.000 0.511 40 R N 1.429 122.048 120.500 0.198 0.000 2.200 40 R HA -0.022 4.310 4.340 -0.013 0.000 0.234 40 R C 1.145 177.524 176.300 0.130 0.000 1.127 40 R CA 1.356 57.574 56.100 0.196 0.000 0.989 40 R CB -0.705 29.793 30.300 0.331 0.000 0.869 40 R HN 0.435 nan 8.270 nan 0.000 0.459 41 N N 0.677 119.486 118.700 0.181 0.000 2.696 41 N HA -0.219 4.513 4.740 -0.013 0.000 0.271 41 N C 0.261 175.677 175.510 -0.157 0.000 0.997 41 N CA 1.015 54.108 53.050 0.072 0.000 0.801 41 N CB -1.109 37.319 38.487 -0.099 0.000 0.913 41 N HN 0.363 nan 8.380 nan 0.000 0.557 42 L N 0.015 121.124 121.223 -0.191 0.000 2.187 42 L HA -0.226 4.106 4.340 -0.013 0.000 0.213 42 L C 2.394 178.941 176.870 -0.539 0.000 1.100 42 L CA 1.434 55.913 54.840 -0.600 0.000 0.765 42 L CB -0.478 40.906 42.059 -1.124 0.000 0.904 42 L HN 0.629 nan 8.230 nan 0.000 0.437 43 H N -1.651 117.169 119.070 -0.417 0.000 2.524 43 H HA -0.001 4.548 4.556 -0.013 0.000 0.282 43 H C 0.848 176.228 175.328 0.087 0.000 1.016 43 H CA 0.670 56.599 56.048 -0.199 0.000 1.270 43 H CB -0.378 29.297 29.762 -0.144 0.000 1.394 43 H HN 0.337 nan 8.280 nan 0.000 0.568 44 N N 0.793 119.257 118.700 -0.393 0.000 2.235 44 N HA -0.009 4.723 4.740 -0.013 0.000 0.209 44 N C 0.012 175.440 175.510 -0.136 0.000 1.122 44 N CA 0.037 53.013 53.050 -0.123 0.000 0.845 44 N CB 0.765 39.081 38.487 -0.284 0.000 1.004 44 N HN 0.582 nan 8.380 nan 0.000 0.499 45 Q N 1.120 120.794 119.800 -0.211 0.000 2.331 45 Q HA 0.158 4.491 4.340 -0.013 0.000 0.257 45 Q C -0.383 175.194 176.000 -0.705 0.000 0.957 45 Q CA -0.508 55.089 55.803 -0.344 0.000 0.923 45 Q CB 0.863 29.459 28.738 -0.236 0.000 1.212 45 Q HN 0.100 nan 8.270 nan 0.000 0.443 46 Q N 3.427 122.639 119.800 -0.980 0.000 2.262 46 Q HA -0.144 4.188 4.340 -0.013 0.000 0.298 46 Q C -0.576 174.771 176.000 -1.089 0.000 1.083 46 Q CA 0.889 55.712 55.803 -1.634 0.000 0.962 46 Q CB 0.167 28.274 28.738 -1.052 0.000 1.104 46 Q HN 0.954 nan 8.270 nan 0.000 0.376 47 H N -0.008 118.523 119.070 -0.899 0.000 4.059 47 H HA -0.217 4.331 4.556 -0.013 0.000 0.139 47 H C -0.176 175.142 175.328 -0.016 0.000 0.756 47 H CA 1.109 57.044 56.048 -0.188 0.000 1.257 47 H CB -1.329 28.338 29.762 -0.158 0.000 0.775 47 H HN 0.775 nan 8.280 nan 0.000 0.511 48 H N 4.467 123.498 119.070 -0.064 0.000 2.848 48 H HA 0.019 4.567 4.556 -0.013 0.000 0.341 48 H C -1.373 173.901 175.328 -0.089 0.000 1.060 48 H CA -0.549 55.446 56.048 -0.088 0.000 1.444 48 H CB 1.295 30.997 29.762 -0.099 0.000 1.446 48 H HN 0.080 nan 8.280 nan 0.000 0.583 49 P HA -0.174 nan 4.420 nan 0.000 0.216 49 P C 1.830 179.136 177.300 0.009 0.000 1.150 49 P CA 1.037 63.844 63.100 -0.489 0.000 0.843 49 P CB 0.346 31.469 31.700 -0.961 0.000 0.787 50 L N -2.454 118.874 121.223 0.175 0.000 2.093 50 L HA -0.105 4.227 4.340 -0.013 0.000 0.208 50 L C 2.748 179.662 176.870 0.072 0.000 1.085 50 L CA 1.497 56.343 54.840 0.010 0.000 0.755 50 L CB -1.026 40.895 42.059 -0.230 0.000 0.904 50 L HN 0.062 nan 8.230 nan 0.000 0.435 51 W N 1.002 122.281 121.300 -0.036 0.000 2.355 51 W HA -0.260 4.394 4.660 -0.011 0.000 0.309 51 W C 2.343 178.853 176.519 -0.015 0.000 1.206 51 W CA 1.388 58.705 57.345 -0.047 0.000 1.284 51 W CB -0.234 29.183 29.460 -0.071 0.000 1.145 51 W HN 0.031 nan 8.180 nan 0.000 0.502 52 L N 1.339 122.643 121.223 0.134 0.000 1.989 52 L HA -0.249 4.083 4.340 -0.013 0.000 0.211 52 L C 2.344 179.131 176.870 -0.139 0.000 1.071 52 L CA 2.104 56.913 54.840 -0.051 0.000 0.749 52 L CB -1.417 40.766 42.059 0.206 0.000 0.890 52 L HN 0.102 nan 8.230 nan 0.000 0.431 53 I N -0.064 120.488 120.570 -0.031 0.000 2.118 53 I HA -0.373 3.789 4.170 -0.013 0.000 0.241 53 I C 2.547 178.606 176.117 -0.097 0.000 1.070 53 I CA 1.939 63.202 61.300 -0.061 0.000 1.327 53 I CB -1.230 36.744 38.000 -0.043 0.000 1.034 53 I HN 0.473 nan 8.210 nan 0.000 0.405 54 K N 0.891 121.218 120.400 -0.121 0.000 2.034 54 K HA -0.253 4.059 4.320 -0.013 0.000 0.214 54 K C 2.035 178.522 176.600 -0.188 0.000 1.051 54 K CA 1.865 58.078 56.287 -0.124 0.000 0.931 54 K CB 0.001 32.424 32.500 -0.129 0.000 0.715 54 K HN 0.215 nan 8.250 nan 0.000 0.446 55 E N 0.629 120.582 120.200 -0.411 0.000 2.038 55 E HA -0.201 4.142 4.350 -0.013 0.000 0.195 55 E C 2.163 178.676 176.600 -0.144 0.000 1.000 55 E CA 1.358 57.522 56.400 -0.394 0.000 0.803 55 E CB -0.254 29.011 29.700 -0.724 0.000 0.750 55 E HN 0.383 nan 8.360 nan 0.000 0.448 56 R N 0.331 120.768 120.500 -0.104 0.000 2.091 56 R HA -0.099 4.233 4.340 -0.013 0.000 0.238 56 R C 2.496 178.885 176.300 0.148 0.000 1.136 56 R CA 1.298 57.425 56.100 0.046 0.000 0.959 56 R CB -0.523 29.752 30.300 -0.042 0.000 0.856 56 R HN 0.052 nan 8.270 nan 0.000 0.437 57 V N 1.296 121.267 119.914 0.095 0.000 2.427 57 V HA -0.231 3.881 4.120 -0.013 0.000 0.248 57 V C 2.214 178.480 176.094 0.287 0.000 1.051 57 V CA 1.642 64.058 62.300 0.193 0.000 1.048 57 V CB -0.375 31.570 31.823 0.204 0.000 0.666 57 V HN 0.277 nan 8.190 nan 0.000 0.456 58 K N -0.215 120.286 120.400 0.169 0.000 2.057 58 K HA -0.220 4.092 4.320 -0.013 0.000 0.207 58 K C 2.268 178.990 176.600 0.204 0.000 1.049 58 K CA 1.726 58.115 56.287 0.170 0.000 0.931 58 K CB -0.140 32.382 32.500 0.035 0.000 0.714 58 K HN 0.505 nan 8.250 nan 0.000 0.440 59 E N -0.228 120.063 120.200 0.152 0.000 2.058 59 E HA -0.279 4.063 4.350 -0.013 0.000 0.194 59 E C 1.949 178.601 176.600 0.087 0.000 0.997 59 E CA 1.473 57.970 56.400 0.161 0.000 0.801 59 E CB -0.056 29.728 29.700 0.141 0.000 0.746 59 E HN 0.334 nan 8.360 nan 0.000 0.450 60 H N -0.872 118.128 119.070 -0.117 0.000 2.353 60 H HA -0.179 4.368 4.556 -0.016 0.000 0.298 60 H C 1.569 176.718 175.328 -0.298 0.000 1.103 60 H CA 2.258 58.083 56.048 -0.372 0.000 1.293 60 H CB -0.253 29.222 29.762 -0.478 0.000 1.372 60 H HN 0.174 nan 8.280 nan 0.000 0.501 61 F N -1.343 118.574 119.950 -0.056 0.000 2.293 61 F HA -0.048 4.469 4.527 -0.017 0.000 0.297 61 F C 2.214 178.062 175.800 0.081 0.000 1.089 61 F CA 0.996 58.945 58.000 -0.084 0.000 1.377 61 F CB -0.649 38.254 39.000 -0.162 0.000 1.051 61 F HN 0.238 nan 8.300 nan 0.000 0.511 62 Y N 1.227 121.627 120.300 0.166 0.000 2.184 62 Y HA -0.115 4.427 4.550 -0.013 0.000 0.290 62 Y C 2.147 178.140 175.900 0.155 0.000 1.129 62 Y CA 1.545 59.746 58.100 0.168 0.000 1.144 62 Y CB -0.592 37.925 38.460 0.095 0.000 0.995 62 Y HN -0.112 nan 8.280 nan 0.000 0.513 63 K N -0.399 119.872 120.400 -0.215 0.000 2.147 63 K HA -0.197 4.115 4.320 -0.013 0.000 0.205 63 K C 1.984 178.417 176.600 -0.279 0.000 1.049 63 K CA 1.341 57.420 56.287 -0.346 0.000 0.936 63 K CB -0.101 32.257 32.500 -0.236 0.000 0.722 63 K HN 0.223 nan 8.250 nan 0.000 0.446 64 Q N -0.591 119.045 119.800 -0.274 0.000 2.436 64 Q HA -0.114 4.218 4.340 -0.013 0.000 0.209 64 Q C 1.255 177.231 176.000 -0.040 0.000 0.965 64 Q CA 0.965 56.627 55.803 -0.235 0.000 0.910 64 Q CB -0.021 28.465 28.738 -0.419 0.000 0.980 64 Q HN 0.437 nan 8.270 nan 0.000 0.491 65 Y N -1.739 118.506 120.300 -0.092 0.000 2.476 65 Y HA 0.079 4.620 4.550 -0.015 0.000 0.283 65 Y C 1.365 177.217 175.900 -0.080 0.000 1.109 65 Y CA 0.501 58.591 58.100 -0.017 0.000 1.246 65 Y CB 0.307 38.826 38.460 0.098 0.000 1.068 65 Y HN -0.088 nan 8.280 nan 0.000 0.552 66 V N 0.099 119.795 119.914 -0.363 0.000 2.426 66 V HA -0.020 4.093 4.120 -0.013 0.000 0.242 66 V C 2.656 178.598 176.094 -0.254 0.000 1.036 66 V CA 1.549 63.612 62.300 -0.394 0.000 1.044 66 V CB -1.386 30.222 31.823 -0.358 0.000 0.688 66 V HN 0.528 nan 8.190 nan 0.000 0.462 67 G N 1.605 110.286 108.800 -0.200 0.000 2.606 67 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.221 67 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.221 67 G C 0.836 175.685 174.900 -0.085 0.000 1.152 67 G CA 0.915 45.938 45.100 -0.128 0.000 0.765 67 G HN 0.579 nan 8.290 nan 0.000 0.595 68 R N -1.734 118.715 120.500 -0.086 0.000 2.750 68 R HA 0.522 4.854 4.340 -0.013 0.000 0.281 68 R C 0.090 176.379 176.300 -0.018 0.000 0.972 68 R CA -0.935 55.152 56.100 -0.022 0.000 0.912 68 R CB 1.243 31.545 30.300 0.003 0.000 1.187 68 R HN 0.011 nan 8.270 nan 0.000 0.464 69 F N 1.778 121.690 119.950 -0.065 0.000 2.325 69 F HA 0.086 4.605 4.527 -0.013 0.000 0.299 69 F C 1.821 177.609 175.800 -0.020 0.000 1.090 69 F CA 1.619 59.580 58.000 -0.065 0.000 1.392 69 F CB -0.295 38.680 39.000 -0.041 0.000 1.053 69 F HN 0.816 nan 8.300 nan 0.000 0.521 70 G N 0.054 108.786 108.800 -0.113 0.000 2.721 70 G HA2 -0.315 3.637 3.960 -0.013 0.000 0.218 70 G HA3 -0.315 3.637 3.960 -0.013 0.000 0.218 70 G C 0.583 175.360 174.900 -0.204 0.000 1.265 70 G CA 1.288 46.312 45.100 -0.127 0.000 0.796 70 G HN 0.379 nan 8.290 nan 0.000 0.620 71 T N 3.560 118.068 114.554 -0.077 0.000 2.908 71 T HA 0.362 4.704 4.350 -0.013 0.000 0.301 71 T C -1.831 172.886 174.700 0.028 0.000 1.019 71 T CA -0.696 61.421 62.100 0.028 0.000 1.152 71 T CB 1.422 70.382 68.868 0.154 0.000 0.966 71 T HN 0.260 nan 8.240 nan 0.000 0.540 72 P HA 0.326 nan 4.420 nan 0.000 0.277 72 P C -0.524 176.797 177.300 0.035 0.000 1.271 72 P CA -0.911 62.154 63.100 -0.058 0.000 0.795 72 P CB 0.766 32.248 31.700 -0.364 0.000 1.101 73 L N 0.806 121.920 121.223 -0.182 0.000 2.281 73 L HA 0.337 4.669 4.340 -0.013 0.000 0.285 73 L C -0.542 176.144 176.870 -0.306 0.000 1.074 73 L CA -0.281 54.344 54.840 -0.359 0.000 0.817 73 L CB -0.620 41.130 42.059 -0.515 0.000 1.168 73 L HN 0.096 nan 8.230 nan 0.000 0.434 74 F N 3.684 123.527 119.950 -0.177 0.000 2.413 74 F HA 0.293 4.810 4.527 -0.017 0.000 0.359 74 F C 0.860 176.551 175.800 -0.180 0.000 1.122 74 F CA -0.052 57.839 58.000 -0.182 0.000 1.160 74 F CB 0.715 39.562 39.000 -0.254 0.000 1.146 74 F HN 0.480 nan 8.300 nan 0.000 0.514 75 S N 2.904 118.574 115.700 -0.049 0.000 2.545 75 S HA 0.498 4.960 4.470 -0.013 0.000 0.275 75 S C -0.258 174.164 174.600 -0.295 0.000 1.299 75 S CA -0.861 57.216 58.200 -0.205 0.000 1.048 75 S CB 1.407 64.461 63.200 -0.244 0.000 0.938 75 S HN 0.300 nan 8.310 nan 0.000 0.496 76 V N 3.456 123.103 119.914 -0.446 0.000 2.417 76 V HA 0.368 4.481 4.120 -0.013 0.000 0.291 76 V C -1.367 174.410 176.094 -0.528 0.000 1.024 76 V CA -0.681 61.422 62.300 -0.329 0.000 0.861 76 V CB 0.646 32.374 31.823 -0.157 0.000 0.985 76 V HN 0.832 nan 8.190 nan 0.000 0.436 77 Y N 3.104 123.411 120.300 0.011 0.000 2.388 77 Y HA 0.444 4.985 4.550 -0.014 0.000 0.328 77 Y C 0.307 176.212 175.900 0.007 0.000 0.963 77 Y CA -1.388 56.701 58.100 -0.019 0.000 1.240 77 Y CB 1.310 39.727 38.460 -0.071 0.000 1.118 77 Y HN 0.821 nan 8.280 nan 0.000 0.484 78 D N -0.951 119.545 120.400 0.159 0.000 2.571 78 D HA 0.136 4.768 4.640 -0.013 0.000 0.239 78 D C 0.116 176.580 176.300 0.274 0.000 1.267 78 D CA -0.087 54.044 54.000 0.218 0.000 0.823 78 D CB 0.154 41.086 40.800 0.221 0.000 1.056 78 D HN 0.356 nan 8.370 nan 0.000 0.494 79 N N 0.215 119.022 118.700 0.178 0.000 2.527 79 N HA 0.165 4.897 4.740 -0.013 0.000 0.279 79 N C -1.158 174.405 175.510 0.087 0.000 1.571 79 N CA -0.226 52.911 53.050 0.144 0.000 0.858 79 N CB 0.270 38.812 38.487 0.092 0.000 1.422 79 N HN 0.059 nan 8.380 nan 0.000 0.491 80 L N 0.332 121.577 121.223 0.038 0.000 2.418 80 L HA 0.378 4.710 4.340 -0.013 0.000 0.265 80 L C 0.966 177.866 176.870 0.049 0.000 1.143 80 L CA -0.575 54.238 54.840 -0.045 0.000 0.809 80 L CB 1.090 42.958 42.059 -0.318 0.000 1.124 80 L HN 0.150 nan 8.230 nan 0.000 0.456 81 S N 2.273 118.016 115.700 0.072 0.000 2.549 81 S HA 0.209 4.671 4.470 -0.013 0.000 0.279 81 S C -1.433 173.257 174.600 0.150 0.000 1.321 81 S CA -1.168 57.096 58.200 0.107 0.000 1.054 81 S CB 0.824 64.079 63.200 0.093 0.000 0.899 81 S HN 0.447 nan 8.310 nan 0.000 0.497 82 P HA 0.065 nan 4.420 nan 0.000 0.242 82 P C -0.123 177.200 177.300 0.038 0.000 1.197 82 P CA 0.171 63.352 63.100 0.136 0.000 0.765 82 P CB -0.109 31.708 31.700 0.195 0.000 0.936 83 V N 2.259 122.191 119.914 0.029 0.000 2.455 83 V HA 0.210 4.322 4.120 -0.013 0.000 0.273 83 V C 0.748 176.889 176.094 0.078 0.000 1.045 83 V CA -0.147 62.154 62.300 0.001 0.000 0.976 83 V CB 1.012 32.835 31.823 -0.000 0.000 0.993 83 V HN -0.009 nan 8.190 nan 0.000 0.475 84 V N 2.114 122.054 119.914 0.043 0.000 3.182 84 V HA 0.847 4.959 4.120 -0.013 0.000 0.308 84 V C -0.176 175.914 176.094 -0.008 0.000 1.240 84 V CA -0.660 61.657 62.300 0.029 0.000 1.063 84 V CB 2.184 33.946 31.823 -0.101 0.000 1.076 84 V HN 0.755 nan 8.190 nan 0.000 0.446 85 T N -1.933 112.584 114.554 -0.062 0.000 2.907 85 T HA 0.384 4.726 4.350 -0.013 0.000 0.284 85 T C 1.308 175.971 174.700 -0.061 0.000 1.004 85 T CA 0.344 62.353 62.100 -0.152 0.000 1.063 85 T CB 1.127 69.927 68.868 -0.114 0.000 0.992 85 T HN 1.563 nan 8.240 nan 0.000 0.483 86 T N -1.493 113.068 114.554 0.012 0.000 2.822 86 T HA -0.203 4.139 4.350 -0.013 0.000 0.270 86 T C 1.411 176.178 174.700 0.112 0.000 1.064 86 T CA 1.173 63.360 62.100 0.145 0.000 1.131 86 T CB -0.885 68.168 68.868 0.309 0.000 0.858 86 T HN 0.778 nan 8.240 nan 0.000 0.483 87 W N 1.831 123.088 121.300 -0.073 0.000 2.358 87 W HA -0.015 4.638 4.660 -0.012 0.000 0.303 87 W C 2.498 178.912 176.519 -0.174 0.000 1.208 87 W CA 1.291 58.564 57.345 -0.120 0.000 1.274 87 W CB -0.214 29.135 29.460 -0.186 0.000 1.138 87 W HN 0.305 nan 8.180 nan 0.000 0.515 88 Q N -0.533 119.208 119.800 -0.098 0.000 2.049 88 Q HA -0.212 4.120 4.340 -0.013 0.000 0.198 88 Q C 2.201 177.956 176.000 -0.408 0.000 0.971 88 Q CA 1.508 57.146 55.803 -0.275 0.000 0.833 88 Q CB -0.707 27.974 28.738 -0.095 0.000 0.896 88 Q HN 0.322 nan 8.270 nan 0.000 0.434 89 N N -0.795 117.675 118.700 -0.383 0.000 2.354 89 N HA -0.079 4.653 4.740 -0.013 0.000 0.179 89 N C 0.635 175.796 175.510 -0.582 0.000 1.021 89 N CA 1.016 53.756 53.050 -0.517 0.000 0.887 89 N CB 0.311 38.368 38.487 -0.716 0.000 0.974 89 N HN 0.082 nan 8.380 nan 0.000 0.437 90 F N 0.475 120.312 119.950 -0.189 0.000 2.199 90 F HA 0.263 4.782 4.527 -0.014 0.000 0.244 90 F C 1.911 177.537 175.800 -0.289 0.000 1.027 90 F CA -0.134 57.765 58.000 -0.167 0.000 1.207 90 F CB -0.773 38.178 39.000 -0.081 0.000 1.500 90 F HN -0.167 nan 8.300 nan 0.000 0.622 91 D N 0.670 120.983 120.400 -0.144 0.000 2.157 91 D HA -0.227 4.405 4.640 -0.013 0.000 0.191 91 D C 2.196 178.109 176.300 -0.646 0.000 1.004 91 D CA 2.426 56.202 54.000 -0.374 0.000 0.854 91 D CB -0.430 40.105 40.800 -0.441 0.000 0.936 91 D HN 0.263 nan 8.370 nan 0.000 0.446 92 S N -0.085 114.883 115.700 -1.219 0.000 2.423 92 S HA -0.074 4.388 4.470 -0.013 0.000 0.231 92 S C 1.668 175.988 174.600 -0.468 0.000 1.014 92 S CA 0.525 57.998 58.200 -1.212 0.000 0.965 92 S CB -0.381 61.804 63.200 -1.691 0.000 0.785 92 S HN 0.257 nan 8.310 nan 0.000 0.495 93 L N 1.304 122.317 121.223 -0.351 0.000 2.653 93 L HA 0.406 4.739 4.340 -0.013 0.000 0.232 93 L C 0.207 177.111 176.870 0.057 0.000 1.169 93 L CA -0.105 54.646 54.840 -0.149 0.000 0.951 93 L CB -0.496 41.350 42.059 -0.355 0.000 1.181 93 L HN 0.270 nan 8.230 nan 0.000 0.460 94 L N -1.174 120.042 121.223 -0.011 0.000 4.496 94 L HA -0.241 4.091 4.340 -0.013 0.000 0.419 94 L C 0.211 177.121 176.870 0.066 0.000 1.139 94 L CA 0.289 55.157 54.840 0.047 0.000 0.975 94 L CB -2.029 40.088 42.059 0.096 0.000 2.099 94 L HN 0.209 nan 8.230 nan 0.000 0.818 95 I N 1.956 122.563 120.570 0.062 0.000 2.436 95 I HA 0.189 4.351 4.170 -0.013 0.000 0.289 95 I C -1.429 174.697 176.117 0.015 0.000 1.083 95 I CA -1.431 59.885 61.300 0.026 0.000 1.372 95 I CB 0.501 38.550 38.000 0.082 0.000 1.408 95 I HN -0.189 nan 8.210 nan 0.000 0.516 96 P HA -0.028 nan 4.420 nan 0.000 0.267 96 P C 0.463 177.786 177.300 0.038 0.000 1.200 96 P CA -0.048 63.090 63.100 0.063 0.000 0.772 96 P CB 0.781 32.545 31.700 0.107 0.000 0.855 97 A N 2.920 125.751 122.820 0.017 0.000 2.032 97 A HA -0.201 4.111 4.320 -0.013 0.000 0.221 97 A C 1.332 178.907 177.584 -0.016 0.000 1.165 97 A CA 2.128 54.158 52.037 -0.012 0.000 0.645 97 A CB -1.024 17.975 19.000 -0.002 0.000 0.807 97 A HN 0.674 nan 8.150 nan 0.000 0.453 98 D N -2.027 118.382 120.400 0.016 0.000 2.388 98 D HA 0.089 4.721 4.640 -0.013 0.000 0.221 98 D C 0.266 176.575 176.300 0.014 0.000 1.133 98 D CA -0.448 53.555 54.000 0.004 0.000 0.831 98 D CB -1.067 39.735 40.800 0.003 0.000 0.962 98 D HN 0.563 nan 8.370 nan 0.000 0.502 99 H N 1.551 120.587 119.070 -0.057 0.000 2.683 99 H HA 0.174 4.722 4.556 -0.013 0.000 0.339 99 H C -1.270 174.032 175.328 -0.044 0.000 1.081 99 H CA -1.125 54.905 56.048 -0.029 0.000 1.432 99 H CB 1.435 31.194 29.762 -0.005 0.000 1.462 99 H HN -0.230 nan 8.280 nan 0.000 0.557 100 P HA -0.182 nan 4.420 nan 0.000 0.221 100 P C 1.041 178.322 177.300 -0.032 0.000 1.145 100 P CA 1.369 64.356 63.100 -0.188 0.000 0.795 100 P CB 0.097 31.669 31.700 -0.212 0.000 0.775 101 S N -0.711 115.067 115.700 0.130 0.000 2.595 101 S HA -0.018 4.444 4.470 -0.013 0.000 0.235 101 S C 1.771 176.469 174.600 0.163 0.000 0.974 101 S CA 0.259 58.617 58.200 0.264 0.000 0.942 101 S CB -0.765 62.732 63.200 0.495 0.000 0.766 101 S HN 0.177 nan 8.310 nan 0.000 0.536 102 R N 0.707 121.178 120.500 -0.048 0.000 2.312 102 R HA 0.238 4.570 4.340 -0.013 0.000 0.205 102 R C 0.047 176.411 176.300 0.107 0.000 0.904 102 R CA -0.069 55.911 56.100 -0.200 0.000 1.052 102 R CB 0.094 30.139 30.300 -0.427 0.000 1.014 102 R HN 0.384 nan 8.270 nan 0.000 0.503 103 K N 1.665 122.115 120.400 0.083 0.000 2.511 103 K HA -0.091 4.221 4.320 -0.013 0.000 0.280 103 K C 0.787 177.500 176.600 0.189 0.000 1.008 103 K CA 0.407 56.747 56.287 0.088 0.000 1.050 103 K CB 0.518 33.045 32.500 0.046 0.000 0.889 103 K HN 0.022 nan 8.250 nan 0.000 0.484 104 K N 1.476 121.968 120.400 0.154 0.000 2.189 104 K HA -0.219 4.093 4.320 -0.013 0.000 0.207 104 K C 1.871 178.529 176.600 0.098 0.000 1.046 104 K CA 1.668 58.060 56.287 0.174 0.000 0.928 104 K CB -0.158 32.297 32.500 -0.075 0.000 0.720 104 K HN 0.840 nan 8.250 nan 0.000 0.458 105 G N 0.590 109.412 108.800 0.036 0.000 2.744 105 G HA2 -0.148 3.804 3.960 -0.013 0.000 0.211 105 G HA3 -0.148 3.804 3.960 -0.013 0.000 0.211 105 G C 0.673 175.564 174.900 -0.015 0.000 1.143 105 G CA 0.436 45.533 45.100 -0.005 0.000 0.788 105 G HN 0.177 nan 8.290 nan 0.000 0.534 106 D N -0.442 119.963 120.400 0.008 0.000 2.441 106 D HA 0.125 4.757 4.640 -0.013 0.000 0.210 106 D C 0.351 176.589 176.300 -0.102 0.000 1.102 106 D CA 0.003 53.994 54.000 -0.014 0.000 0.840 106 D CB 0.559 41.393 40.800 0.057 0.000 0.990 106 D HN 0.151 nan 8.370 nan 0.000 0.505 107 N N 0.031 118.638 118.700 -0.155 0.000 2.321 107 N HA 0.195 4.928 4.740 -0.013 0.000 0.290 107 N C -1.274 173.984 175.510 -0.420 0.000 1.212 107 N CA -0.462 52.410 53.050 -0.297 0.000 0.767 107 N CB 1.601 39.864 38.487 -0.372 0.000 1.494 107 N HN -0.163 nan 8.380 nan 0.000 0.479 108 Y N 1.117 121.298 120.300 -0.199 0.000 2.595 108 Y HA 0.305 4.847 4.550 -0.013 0.000 0.336 108 Y C -0.552 175.220 175.900 -0.213 0.000 0.996 108 Y CA -0.424 57.592 58.100 -0.140 0.000 1.260 108 Y CB -0.024 38.355 38.460 -0.134 0.000 1.108 108 Y HN 0.351 nan 8.280 nan 0.000 0.509 109 Y N 3.376 123.758 120.300 0.136 0.000 2.341 109 Y HA 0.121 4.663 4.550 -0.013 0.000 0.340 109 Y C 0.816 176.754 175.900 0.063 0.000 0.997 109 Y CA -0.700 57.463 58.100 0.106 0.000 1.149 109 Y CB 0.958 39.515 38.460 0.163 0.000 1.171 109 Y HN 0.477 nan 8.280 nan 0.000 0.494 110 L N 2.771 124.077 121.223 0.139 0.000 2.217 110 L HA -0.091 4.241 4.340 -0.013 0.000 0.211 110 L C 0.393 177.359 176.870 0.160 0.000 1.107 110 L CA 1.236 56.094 54.840 0.031 0.000 0.783 110 L CB -1.540 40.358 42.059 -0.269 0.000 0.919 110 L HN 0.874 nan 8.230 nan 0.000 0.442 111 N N -3.042 115.803 118.700 0.241 0.000 3.485 111 N HA 0.054 4.786 4.740 -0.013 0.000 0.364 111 N C 0.531 176.115 175.510 0.123 0.000 1.437 111 N CA -0.642 52.528 53.050 0.200 0.000 0.853 111 N CB 0.257 38.854 38.487 0.184 0.000 2.213 111 N HN -0.316 nan 8.380 nan 0.000 0.471 112 R N -1.030 119.456 120.500 -0.023 0.000 2.148 112 R HA 0.030 4.362 4.340 -0.013 0.000 0.223 112 R C 1.132 177.366 176.300 -0.109 0.000 1.088 112 R CA 2.037 57.962 56.100 -0.293 0.000 0.985 112 R CB -0.309 29.849 30.300 -0.237 0.000 0.880 112 R HN 0.812 nan 8.270 nan 0.000 0.451 113 T N -3.287 111.291 114.554 0.040 0.000 3.018 113 T HA 0.087 4.429 4.350 -0.013 0.000 0.246 113 T C 0.334 174.958 174.700 -0.125 0.000 1.026 113 T CA -0.091 61.998 62.100 -0.019 0.000 1.081 113 T CB 0.156 69.010 68.868 -0.023 0.000 0.970 113 T HN 0.067 nan 8.240 nan 0.000 0.475 114 H N 1.382 120.533 119.070 0.136 0.000 2.573 114 H HA 0.785 5.334 4.556 -0.013 0.000 0.351 114 H C -0.014 175.342 175.328 0.048 0.000 1.163 114 H CA -0.790 55.305 56.048 0.079 0.000 1.205 114 H CB 1.669 31.462 29.762 0.052 0.000 1.605 114 H HN 0.507 nan 8.280 nan 0.000 0.525 115 M N 0.329 119.960 119.600 0.051 0.000 2.880 115 M HA 0.434 4.906 4.480 -0.013 0.000 0.269 115 M C -1.907 174.309 176.300 -0.141 0.000 1.248 115 M CA -0.987 54.267 55.300 -0.075 0.000 0.821 115 M CB 1.845 34.327 32.600 -0.196 0.000 1.650 115 M HN 0.304 nan 8.290 nan 0.000 0.479 116 L N 2.913 124.030 121.223 -0.178 0.000 2.290 116 L HA 0.486 4.818 4.340 -0.013 0.000 0.284 116 L C 0.413 177.228 176.870 -0.091 0.000 1.078 116 L CA -0.834 53.889 54.840 -0.195 0.000 0.815 116 L CB 0.839 42.643 42.059 -0.425 0.000 1.162 116 L HN 0.765 nan 8.230 nan 0.000 0.435 117 R N 2.614 123.083 120.500 -0.053 0.000 2.640 117 R HA 0.166 4.498 4.340 -0.013 0.000 0.270 117 R C 0.482 176.747 176.300 -0.057 0.000 1.024 117 R CA 0.291 56.332 56.100 -0.098 0.000 1.085 117 R CB 0.495 30.736 30.300 -0.098 0.000 0.963 117 R HN 0.710 nan 8.270 nan 0.000 0.426 118 A N 2.323 125.049 122.820 -0.157 0.000 2.267 118 A HA 0.108 4.420 4.320 -0.013 0.000 0.213 118 A C -0.303 177.223 177.584 -0.097 0.000 1.192 118 A CA 0.342 52.281 52.037 -0.163 0.000 0.851 118 A CB -0.349 18.505 19.000 -0.245 0.000 0.881 118 A HN 0.984 nan 8.150 nan 0.000 0.494 119 H N -4.248 114.718 119.070 -0.173 0.000 3.068 119 H HA 0.278 4.826 4.556 -0.013 0.000 0.342 119 H C 0.208 175.444 175.328 -0.154 0.000 1.284 119 H CA -0.440 55.533 56.048 -0.125 0.000 1.181 119 H CB -0.420 29.308 29.762 -0.056 0.000 1.898 119 H HN -0.001 nan 8.280 nan 0.000 0.540 120 T N -1.486 113.048 114.554 -0.034 0.000 3.113 120 T HA -0.048 4.294 4.350 -0.013 0.000 0.263 120 T C 1.254 175.823 174.700 -0.218 0.000 1.143 120 T CA 1.015 63.084 62.100 -0.052 0.000 1.090 120 T CB -0.415 68.473 68.868 0.033 0.000 0.922 120 T HN 0.432 nan 8.240 nan 0.000 0.521 121 S N 1.581 116.930 115.700 -0.585 0.000 2.469 121 S HA 0.132 4.594 4.470 -0.013 0.000 0.238 121 S C 2.404 176.601 174.600 -0.671 0.000 0.998 121 S CA 0.630 58.381 58.200 -0.748 0.000 0.957 121 S CB -0.570 61.817 63.200 -1.355 0.000 0.764 121 S HN 0.787 nan 8.310 nan 0.000 0.514 122 A N 0.936 123.358 122.820 -0.663 0.000 2.125 122 A HA -0.132 4.180 4.320 -0.013 0.000 0.219 122 A C 1.410 178.710 177.584 -0.474 0.000 1.156 122 A CA 1.096 52.810 52.037 -0.538 0.000 0.671 122 A CB -0.472 18.211 19.000 -0.528 0.000 0.794 122 A HN 0.576 nan 8.150 nan 0.000 0.459 123 H N -1.153 117.839 119.070 -0.130 0.000 2.586 123 H HA 0.143 4.691 4.556 -0.014 0.000 0.273 123 H C 1.572 176.898 175.328 -0.004 0.000 0.997 123 H CA 0.388 56.403 56.048 -0.055 0.000 1.177 123 H CB 0.119 29.845 29.762 -0.060 0.000 1.471 123 H HN 0.692 nan 8.280 nan 0.000 0.538 124 Q N -0.020 119.837 119.800 0.095 0.000 1.990 124 Q HA -0.178 4.155 4.340 -0.013 0.000 0.200 124 Q C 1.925 178.033 176.000 0.179 0.000 0.980 124 Q CA 1.478 57.400 55.803 0.199 0.000 0.832 124 Q CB -0.112 28.680 28.738 0.090 0.000 0.897 124 Q HN 0.415 nan 8.270 nan 0.000 0.427 125 W N 2.379 123.660 121.300 -0.030 0.000 2.302 125 W HA -0.279 4.373 4.660 -0.014 0.000 0.320 125 W C 1.617 178.163 176.519 0.045 0.000 1.241 125 W CA 1.974 59.323 57.345 0.006 0.000 1.264 125 W CB -0.182 29.248 29.460 -0.049 0.000 1.154 125 W HN 0.193 nan 8.180 nan 0.000 0.483 126 D N -0.079 120.527 120.400 0.343 0.000 2.104 126 D HA -0.215 4.417 4.640 -0.013 0.000 0.194 126 D C 2.273 178.507 176.300 -0.110 0.000 0.994 126 D CA 2.044 56.154 54.000 0.183 0.000 0.830 126 D CB -0.795 40.116 40.800 0.185 0.000 0.959 126 D HN 0.267 nan 8.370 nan 0.000 0.452 127 L N 0.063 121.121 121.223 -0.275 0.000 2.093 127 L HA -0.143 4.189 4.340 -0.013 0.000 0.208 127 L C 2.420 178.971 176.870 -0.531 0.000 1.085 127 L CA 0.263 54.724 54.840 -0.632 0.000 0.755 127 L CB -0.166 41.120 42.059 -1.290 0.000 0.904 127 L HN 0.042 nan 8.230 nan 0.000 0.435 128 L N -0.569 120.466 121.223 -0.313 0.000 2.072 128 L HA -0.210 4.122 4.340 -0.013 0.000 0.205 128 L C 2.556 179.280 176.870 -0.244 0.000 1.079 128 L CA 1.762 56.505 54.840 -0.161 0.000 0.752 128 L CB -0.740 41.280 42.059 -0.064 0.000 0.906 128 L HN 0.235 nan 8.230 nan 0.000 0.436 129 H N -0.407 118.355 119.070 -0.513 0.000 2.422 129 H HA -0.059 4.488 4.556 -0.014 0.000 0.298 129 H C 1.793 176.922 175.328 -0.332 0.000 1.098 129 H CA 1.270 56.976 56.048 -0.571 0.000 1.315 129 H CB 0.084 29.295 29.762 -0.918 0.000 1.382 129 H HN 0.328 nan 8.280 nan 0.000 0.523 130 A N -0.663 122.000 122.820 -0.262 0.000 2.258 130 A HA 0.282 4.594 4.320 -0.013 0.000 0.206 130 A C 2.049 179.496 177.584 -0.228 0.000 1.222 130 A CA 0.887 52.772 52.037 -0.253 0.000 0.822 130 A CB -1.164 17.705 19.000 -0.218 0.000 0.804 130 A HN 0.784 nan 8.150 nan 0.000 0.483 131 G N -1.330 107.332 108.800 -0.229 0.000 2.179 131 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.260 131 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.260 131 G C 0.238 175.060 174.900 -0.130 0.000 0.977 131 G CA 0.327 45.327 45.100 -0.167 0.000 0.641 131 G HN 0.478 nan 8.290 nan 0.000 0.533 132 L N 0.319 121.456 121.223 -0.144 0.000 2.461 132 L HA 0.311 4.643 4.340 -0.013 0.000 0.272 132 L C 1.143 178.010 176.870 -0.004 0.000 1.197 132 L CA 0.019 54.812 54.840 -0.078 0.000 0.836 132 L CB 0.494 42.480 42.059 -0.122 0.000 1.105 132 L HN -0.009 nan 8.230 nan 0.000 0.477 133 D N 0.625 120.990 120.400 -0.059 0.000 2.455 133 D HA 0.248 4.881 4.640 -0.013 0.000 0.228 133 D C 0.013 176.111 176.300 -0.337 0.000 1.070 133 D CA 0.447 54.342 54.000 -0.175 0.000 0.881 133 D CB 0.853 41.512 40.800 -0.236 0.000 1.087 133 D HN 0.536 nan 8.370 nan 0.000 0.498 134 A N 0.620 123.222 122.820 -0.364 0.000 2.429 134 A HA 0.595 4.907 4.320 -0.013 0.000 0.289 134 A C -1.358 175.965 177.584 -0.435 0.000 1.043 134 A CA -0.743 50.790 52.037 -0.840 0.000 0.722 134 A CB 0.397 18.438 19.000 -1.599 0.000 1.243 134 A HN 0.071 nan 8.150 nan 0.000 0.415 135 F N 0.337 120.158 119.950 -0.214 0.000 2.654 135 F HA 0.801 5.322 4.527 -0.009 0.000 0.308 135 F C -1.598 174.267 175.800 0.110 0.000 1.108 135 F CA -1.279 56.736 58.000 0.026 0.000 0.957 135 F CB 1.152 40.188 39.000 0.061 0.000 1.309 135 F HN 0.398 nan 8.300 nan 0.000 0.446 136 L N 2.851 124.202 121.223 0.214 0.000 2.331 136 L HA 0.860 5.192 4.340 -0.013 0.000 0.275 136 L C -0.850 176.143 176.870 0.205 0.000 1.022 136 L CA -1.405 53.456 54.840 0.036 0.000 0.812 136 L CB 1.925 43.930 42.059 -0.090 0.000 1.257 136 L HN 0.595 nan 8.230 nan 0.000 0.435 137 V N 2.788 122.785 119.914 0.138 0.000 2.656 137 V HA 0.565 4.677 4.120 -0.013 0.000 0.307 137 V C -0.402 175.736 176.094 0.072 0.000 1.051 137 V CA -0.620 61.773 62.300 0.155 0.000 0.893 137 V CB 2.508 34.433 31.823 0.170 0.000 0.999 137 V HN 0.452 nan 8.190 nan 0.000 0.426 138 V N 2.803 122.752 119.914 0.059 0.000 2.623 138 V HA 1.006 5.118 4.120 -0.013 0.000 0.304 138 V C 0.287 176.281 176.094 -0.166 0.000 1.054 138 V CA -0.035 62.258 62.300 -0.011 0.000 0.882 138 V CB 1.585 33.443 31.823 0.058 0.000 1.002 138 V HN 1.141 nan 8.190 nan 0.000 0.424 139 G N 2.311 110.913 108.800 -0.330 0.000 2.576 139 G HA2 0.560 4.512 3.960 -0.013 0.000 0.290 139 G HA3 0.560 4.512 3.960 -0.013 0.000 0.290 139 G C -1.897 172.801 174.900 -0.337 0.000 1.442 139 G CA -0.757 44.075 45.100 -0.447 0.000 0.792 139 G HN 0.651 nan 8.290 nan 0.000 0.491 140 D N 0.074 120.347 120.400 -0.212 0.000 2.390 140 D HA 0.368 5.000 4.640 -0.013 0.000 0.249 140 D C 0.851 176.861 176.300 -0.483 0.000 1.144 140 D CA -0.192 53.502 54.000 -0.510 0.000 0.880 140 D CB 1.602 42.257 40.800 -0.242 0.000 1.182 140 D HN 0.739 nan 8.370 nan 0.000 0.451 141 V N -0.351 119.079 119.914 -0.806 0.000 2.919 141 V HA 0.716 4.828 4.120 -0.013 0.000 0.316 141 V C -1.272 174.218 176.094 -1.006 0.000 1.077 141 V CA -1.012 60.888 62.300 -0.666 0.000 0.977 141 V CB 1.352 32.836 31.823 -0.565 0.000 1.039 141 V HN 0.497 nan 8.190 nan 0.000 0.441 142 Y N 1.224 121.317 120.300 -0.344 0.000 2.373 142 Y HA 0.831 5.374 4.550 -0.013 0.000 0.336 142 Y C 0.184 176.090 175.900 0.009 0.000 0.979 142 Y CA -0.704 57.323 58.100 -0.123 0.000 1.080 142 Y CB 2.382 40.839 38.460 -0.004 0.000 1.190 142 Y HN 0.614 nan 8.280 nan 0.000 0.446 143 R N 2.043 122.691 120.500 0.246 0.000 2.584 143 R HA 0.467 4.799 4.340 -0.013 0.000 0.276 143 R C -1.156 175.210 176.300 0.109 0.000 1.046 143 R CA -1.146 55.046 56.100 0.154 0.000 0.906 143 R CB 2.382 32.840 30.300 0.263 0.000 1.215 143 R HN 0.679 nan 8.270 nan 0.000 0.449 144 R N 1.766 122.152 120.500 -0.190 0.000 2.248 144 R HA 0.174 4.506 4.340 -0.013 0.000 0.337 144 R C -0.453 175.853 176.300 0.009 0.000 1.085 144 R CA -0.192 55.801 56.100 -0.179 0.000 0.934 144 R CB 0.304 30.389 30.300 -0.358 0.000 1.034 144 R HN 0.460 nan 8.270 nan 0.000 0.465 145 D N 0.721 121.163 120.400 0.070 0.000 2.904 145 D HA 0.095 4.727 4.640 -0.013 0.000 0.290 145 D C -0.473 175.788 176.300 -0.066 0.000 1.180 145 D CA -0.514 53.516 54.000 0.050 0.000 1.065 145 D CB 1.037 41.918 40.800 0.135 0.000 1.386 145 D HN 0.440 nan 8.370 nan 0.000 0.599 146 Q N -0.085 119.559 119.800 -0.260 0.000 2.272 146 Q HA 0.481 4.814 4.340 -0.013 0.000 0.192 146 Q C -0.285 175.453 176.000 -0.436 0.000 1.059 146 Q CA -0.443 55.022 55.803 -0.563 0.000 1.084 146 Q CB 1.043 29.451 28.738 -0.550 0.000 1.139 146 Q HN 0.407 nan 8.270 nan 0.000 0.593 147 I N 1.651 121.932 120.570 -0.481 0.000 2.411 147 I HA 0.365 4.527 4.170 -0.013 0.000 0.284 147 I C -1.385 174.662 176.117 -0.116 0.000 1.012 147 I CA -0.623 60.543 61.300 -0.223 0.000 1.119 147 I CB 1.229 39.098 38.000 -0.218 0.000 1.261 147 I HN 0.800 nan 8.210 nan 0.000 0.448 148 D N 2.312 122.720 120.400 0.015 0.000 2.779 148 D HA 0.076 4.708 4.640 -0.013 0.000 0.331 148 D C 0.455 176.832 176.300 0.129 0.000 1.331 148 D CA -0.514 53.522 54.000 0.061 0.000 0.866 148 D CB 0.678 41.515 40.800 0.061 0.000 1.409 148 D HN 0.236 nan 8.370 nan 0.000 0.486 149 S N -1.506 114.261 115.700 0.111 0.000 2.595 149 S HA -0.103 4.359 4.470 -0.013 0.000 0.235 149 S C 0.595 175.265 174.600 0.116 0.000 0.974 149 S CA 0.757 59.019 58.200 0.104 0.000 0.942 149 S CB -0.547 62.701 63.200 0.080 0.000 0.766 149 S HN 0.477 nan 8.310 nan 0.000 0.536 150 Q N -0.176 119.712 119.800 0.146 0.000 2.149 150 Q HA 0.282 4.614 4.340 -0.013 0.000 0.221 150 Q C -0.628 175.305 176.000 -0.111 0.000 0.807 150 Q CA -0.099 55.730 55.803 0.044 0.000 1.000 150 Q CB 0.669 29.409 28.738 0.003 0.000 1.157 150 Q HN 0.675 nan 8.270 nan 0.000 0.487 151 H N -0.698 118.420 119.070 0.080 0.000 2.717 151 H HA 0.402 4.950 4.556 -0.013 0.000 0.366 151 H C -1.762 173.704 175.328 0.230 0.000 1.132 151 H CA -0.567 55.532 56.048 0.085 0.000 1.180 151 H CB 2.217 31.991 29.762 0.021 0.000 1.678 151 H HN -0.030 nan 8.280 nan 0.000 0.537 152 Y N 1.765 122.187 120.300 0.203 0.000 2.552 152 Y HA 0.188 4.730 4.550 -0.014 0.000 0.337 152 Y C -2.189 173.864 175.900 0.256 0.000 1.094 152 Y CA -2.061 56.156 58.100 0.195 0.000 1.028 152 Y CB 2.136 40.740 38.460 0.240 0.000 1.321 152 Y HN 0.322 nan 8.280 nan 0.000 0.456 153 P HA 0.052 nan 4.420 nan 0.000 0.221 153 P C -0.553 176.820 177.300 0.122 0.000 1.150 153 P CA 1.586 64.716 63.100 0.050 0.000 0.800 153 P CB 0.441 32.094 31.700 -0.079 0.000 0.787 154 I N -0.608 120.016 120.570 0.090 0.000 2.404 154 I HA 0.365 4.527 4.170 -0.013 0.000 0.293 154 I C -0.086 176.203 176.117 0.287 0.000 0.992 154 I CA -1.118 60.129 61.300 -0.087 0.000 1.149 154 I CB 1.280 39.218 38.000 -0.104 0.000 1.315 154 I HN -0.156 nan 8.210 nan 0.000 0.446 155 F N 2.470 122.318 119.950 -0.170 0.000 2.894 155 F HA 0.692 5.211 4.527 -0.014 0.000 0.332 155 F C -1.125 174.364 175.800 -0.518 0.000 1.192 155 F CA -1.114 56.825 58.000 -0.102 0.000 0.980 155 F CB 1.015 40.039 39.000 0.041 0.000 1.448 155 F HN 0.249 nan 8.300 nan 0.000 0.514 156 H N -0.650 118.508 119.070 0.147 0.000 2.717 156 H HA 0.583 5.131 4.556 -0.014 0.000 0.366 156 H C -1.350 174.008 175.328 0.050 0.000 1.132 156 H CA -0.780 55.244 56.048 -0.041 0.000 1.180 156 H CB 1.962 31.650 29.762 -0.123 0.000 1.678 156 H HN 0.505 nan 8.280 nan 0.000 0.537 157 Q N 1.375 121.221 119.800 0.077 0.000 2.387 157 Q HA 0.472 4.804 4.340 -0.013 0.000 0.273 157 Q C -1.110 174.931 176.000 0.068 0.000 1.089 157 Q CA -1.107 54.761 55.803 0.109 0.000 0.824 157 Q CB 3.397 32.205 28.738 0.116 0.000 1.367 157 Q HN 0.445 nan 8.270 nan 0.000 0.443 158 L N 1.584 122.872 121.223 0.110 0.000 2.305 158 L HA 0.464 4.796 4.340 -0.013 0.000 0.284 158 L C -0.848 176.076 176.870 0.090 0.000 1.013 158 L CA -0.422 54.477 54.840 0.099 0.000 0.819 158 L CB 1.370 43.513 42.059 0.140 0.000 1.227 158 L HN 0.604 nan 8.230 nan 0.000 0.417 159 E N 3.494 123.687 120.200 -0.011 0.000 2.283 159 E HA 0.779 5.121 4.350 -0.013 0.000 0.271 159 E C -1.209 175.164 176.600 -0.377 0.000 1.031 159 E CA -0.337 55.977 56.400 -0.142 0.000 0.868 159 E CB 1.804 31.465 29.700 -0.064 0.000 1.094 159 E HN 0.674 nan 8.360 nan 0.000 0.401 160 A N 2.569 124.973 122.820 -0.694 0.000 2.459 160 A HA 0.607 4.920 4.320 -0.013 0.000 0.296 160 A C -1.549 175.711 177.584 -0.541 0.000 1.039 160 A CA -0.642 50.959 52.037 -0.726 0.000 0.698 160 A CB 1.335 19.664 19.000 -1.118 0.000 1.261 160 A HN 0.371 nan 8.150 nan 0.000 0.405 161 V N 2.566 122.032 119.914 -0.747 0.000 2.680 161 V HA 0.786 4.898 4.120 -0.013 0.000 0.309 161 V C -0.244 175.332 176.094 -0.863 0.000 1.052 161 V CA -0.773 61.062 62.300 -0.775 0.000 0.908 161 V CB 1.977 33.140 31.823 -1.098 0.000 1.001 161 V HN 0.873 nan 8.190 nan 0.000 0.431 162 R N 3.295 123.204 120.500 -0.984 0.000 2.512 162 R HA 0.499 4.831 4.340 -0.013 0.000 0.291 162 R C -2.094 173.667 176.300 -0.898 0.000 1.097 162 R CA -0.577 54.840 56.100 -1.140 0.000 0.940 162 R CB 1.694 30.902 30.300 -1.819 0.000 1.198 162 R HN 0.504 nan 8.270 nan 0.000 0.429 163 L N 4.190 125.007 121.223 -0.677 0.000 2.375 163 L HA 0.629 4.961 4.340 -0.013 0.000 0.268 163 L C -0.401 176.113 176.870 -0.592 0.000 1.058 163 L CA -0.319 54.266 54.840 -0.426 0.000 0.803 163 L CB 0.636 42.557 42.059 -0.230 0.000 1.212 163 L HN 0.428 nan 8.230 nan 0.000 0.451 164 F N -0.373 119.469 119.950 -0.181 0.000 2.556 164 F HA 0.500 5.036 4.527 0.014 0.000 0.314 164 F C 0.342 176.066 175.800 -0.127 0.000 1.106 164 F CA -0.683 57.218 58.000 -0.166 0.000 0.911 164 F CB 2.136 41.018 39.000 -0.197 0.000 1.190 164 F HN 0.451 nan 8.300 nan 0.000 0.448 165 S N 2.132 117.882 115.700 0.082 0.000 2.672 165 S HA 0.329 4.791 4.470 -0.013 0.000 0.276 165 S C 1.146 175.737 174.600 -0.016 0.000 1.207 165 S CA -0.694 57.550 58.200 0.072 0.000 1.002 165 S CB 1.704 64.991 63.200 0.146 0.000 0.998 165 S HN 0.821 nan 8.310 nan 0.000 0.542 166 K N 0.531 120.870 120.400 -0.102 0.000 2.034 166 K HA -0.230 4.083 4.320 -0.013 0.000 0.214 166 K C 1.890 178.389 176.600 -0.169 0.000 1.051 166 K CA 2.253 58.402 56.287 -0.230 0.000 0.931 166 K CB -0.534 31.741 32.500 -0.375 0.000 0.715 166 K HN 0.814 nan 8.250 nan 0.000 0.446 167 H N -0.572 118.563 119.070 0.108 0.000 2.423 167 H HA -0.095 4.455 4.556 -0.010 0.000 0.297 167 H C 2.096 177.474 175.328 0.083 0.000 1.075 167 H CA 1.431 57.553 56.048 0.123 0.000 1.342 167 H CB -0.027 29.796 29.762 0.101 0.000 1.395 167 H HN 0.516 nan 8.280 nan 0.000 0.530 168 E N 1.050 121.348 120.200 0.163 0.000 2.047 168 E HA -0.131 4.211 4.350 -0.013 0.000 0.191 168 E C 2.214 178.837 176.600 0.039 0.000 0.987 168 E CA 0.389 56.860 56.400 0.118 0.000 0.799 168 E CB 0.071 29.840 29.700 0.115 0.000 0.752 168 E HN 0.147 nan 8.360 nan 0.000 0.449 169 L N 0.048 121.187 121.223 -0.140 0.000 2.046 169 L HA -0.112 4.220 4.340 -0.013 0.000 0.208 169 L C 1.266 177.843 176.870 -0.489 0.000 1.077 169 L CA 1.573 56.137 54.840 -0.461 0.000 0.747 169 L CB -0.208 41.293 42.059 -0.930 0.000 0.896 169 L HN 0.162 nan 8.230 nan 0.000 0.432 170 F N -1.008 118.925 119.950 -0.028 0.000 2.660 170 F HA 0.369 4.876 4.527 -0.032 0.000 0.297 170 F C 1.883 177.692 175.800 0.015 0.000 1.132 170 F CA 0.151 58.134 58.000 -0.029 0.000 1.372 170 F CB -1.337 37.630 39.000 -0.054 0.000 1.003 170 F HN 0.040 nan 8.300 nan 0.000 0.524 171 A N 0.289 123.198 122.820 0.148 0.000 2.019 171 A HA 0.016 4.328 4.320 -0.013 0.000 0.219 171 A C 2.325 179.982 177.584 0.120 0.000 1.164 171 A CA 1.559 53.684 52.037 0.147 0.000 0.644 171 A CB -0.922 18.165 19.000 0.144 0.000 0.805 171 A HN 0.412 nan 8.150 nan 0.000 0.449 172 G N -0.873 107.989 108.800 0.103 0.000 3.609 172 G HA2 0.459 4.412 3.960 -0.013 0.000 0.280 172 G HA3 0.459 4.412 3.960 -0.013 0.000 0.280 172 G C -0.018 174.917 174.900 0.059 0.000 1.155 172 G CA -0.142 45.003 45.100 0.075 0.000 0.876 172 G HN 0.228 nan 8.290 nan 0.000 0.535 173 I N -0.408 120.203 120.570 0.068 0.000 2.689 173 I HA 0.348 4.510 4.170 -0.013 0.000 0.299 173 I C 0.906 177.040 176.117 0.029 0.000 1.059 173 I CA -1.224 60.100 61.300 0.040 0.000 1.055 173 I CB 1.694 39.717 38.000 0.039 0.000 1.243 173 I HN -0.072 nan 8.210 nan 0.000 0.425 174 K N 1.464 121.870 120.400 0.010 0.000 2.384 174 K HA -0.270 4.042 4.320 -0.013 0.000 0.230 174 K C 0.681 177.281 176.600 -0.001 0.000 0.752 174 K CA 2.205 58.493 56.287 0.002 0.000 0.942 174 K CB -0.138 32.357 32.500 -0.009 0.000 0.457 174 K HN 0.659 nan 8.250 nan 0.000 0.903 175 D N 0.596 120.985 120.400 -0.018 0.000 2.355 175 D HA 0.006 4.638 4.640 -0.013 0.000 0.253 175 D C 1.381 177.654 176.300 -0.045 0.000 1.187 175 D CA 0.496 54.479 54.000 -0.028 0.000 0.900 175 D CB -0.528 40.248 40.800 -0.041 0.000 0.915 175 D HN 0.468 nan 8.370 nan 0.000 0.516 176 G N 1.062 109.846 108.800 -0.026 0.000 2.703 176 G HA2 -0.331 3.621 3.960 -0.013 0.000 0.222 176 G HA3 -0.331 3.621 3.960 -0.013 0.000 0.222 176 G C 1.378 176.230 174.900 -0.081 0.000 1.183 176 G CA 0.569 45.648 45.100 -0.035 0.000 0.775 176 G HN 0.324 nan 8.290 nan 0.000 0.615 177 E N 0.743 120.941 120.200 -0.003 0.000 2.515 177 E HA -0.054 4.288 4.350 -0.013 0.000 0.201 177 E C 2.659 179.234 176.600 -0.041 0.000 1.071 177 E CA 0.906 57.318 56.400 0.019 0.000 0.880 177 E CB -0.087 29.671 29.700 0.096 0.000 0.828 177 E HN 0.611 nan 8.360 nan 0.000 0.540 178 S N -0.464 115.185 115.700 -0.084 0.000 2.593 178 S HA 0.076 4.538 4.470 -0.013 0.000 0.217 178 S C 0.924 175.413 174.600 -0.186 0.000 0.966 178 S CA -0.231 57.910 58.200 -0.098 0.000 0.914 178 S CB -0.033 63.122 63.200 -0.075 0.000 0.776 178 S HN 0.032 nan 8.310 nan 0.000 0.523 179 L N 1.407 122.424 121.223 -0.342 0.000 2.399 179 L HA 0.542 4.875 4.340 -0.013 0.000 0.265 179 L C 0.234 176.790 176.870 -0.524 0.000 1.089 179 L CA -0.693 53.784 54.840 -0.605 0.000 0.802 179 L CB 1.183 42.487 42.059 -1.257 0.000 1.180 179 L HN 0.300 nan 8.230 nan 0.000 0.454 180 Q N 0.905 120.477 119.800 -0.380 0.000 2.495 180 Q HA 0.386 4.718 4.340 -0.013 0.000 0.287 180 Q C 0.321 176.350 176.000 0.048 0.000 1.078 180 Q CA -0.841 54.919 55.803 -0.073 0.000 0.793 180 Q CB 2.656 31.382 28.738 -0.020 0.000 1.459 180 Q HN 0.540 nan 8.270 nan 0.000 0.422 181 L N -0.235 120.916 121.223 -0.121 0.000 2.162 181 L HA 0.146 4.479 4.340 -0.013 0.000 0.205 181 L C 0.129 176.625 176.870 -0.623 0.000 1.086 181 L CA 1.112 55.617 54.840 -0.558 0.000 0.778 181 L CB 0.137 41.501 42.059 -1.159 0.000 0.928 181 L HN 0.408 nan 8.230 nan 0.000 0.446 182 F N -0.440 119.573 119.950 0.106 0.000 2.594 182 F HA 0.538 5.064 4.527 -0.002 0.000 0.335 182 F C 0.247 176.106 175.800 0.098 0.000 1.058 182 F CA -1.088 56.990 58.000 0.130 0.000 0.981 182 F CB 1.349 40.423 39.000 0.123 0.000 1.289 182 F HN -0.034 nan 8.300 nan 0.000 0.490 183 E N -0.701 119.696 120.200 0.328 0.000 2.368 183 E HA 0.281 4.623 4.350 -0.013 0.000 0.267 183 E C -2.000 174.696 176.600 0.160 0.000 1.216 183 E CA -1.066 55.447 56.400 0.188 0.000 0.891 183 E CB 1.067 30.848 29.700 0.134 0.000 1.524 183 E HN 0.359 nan 8.360 nan 0.000 0.445 184 Q N 1.233 121.099 119.800 0.109 0.000 2.932 184 Q HA 0.365 4.697 4.340 -0.013 0.000 0.248 184 Q C -0.852 175.193 176.000 0.075 0.000 0.982 184 Q CA -0.191 55.665 55.803 0.088 0.000 0.730 184 Q CB 1.620 30.398 28.738 0.067 0.000 1.249 184 Q HN 0.673 nan 8.270 nan 0.000 0.476 185 S N 0.030 115.780 115.700 0.083 0.000 2.702 185 S HA 0.718 5.180 4.470 -0.013 0.000 0.272 185 S C 0.412 175.054 174.600 0.070 0.000 1.068 185 S CA -0.465 57.777 58.200 0.071 0.000 0.964 185 S CB 0.945 64.189 63.200 0.074 0.000 1.307 185 S HN 0.358 nan 8.310 nan 0.000 0.567 186 S N -0.508 115.234 115.700 0.071 0.000 2.648 186 S HA 0.616 5.078 4.470 -0.013 0.000 0.305 186 S C -0.456 174.197 174.600 0.088 0.000 1.094 186 S CA -0.942 57.298 58.200 0.067 0.000 0.983 186 S CB 1.293 64.526 63.200 0.055 0.000 1.101 186 S HN 0.859 nan 8.310 nan 0.000 0.514 187 R N 0.739 121.289 120.500 0.085 0.000 2.543 187 R HA 0.482 4.814 4.340 -0.013 0.000 0.277 187 R C 0.143 176.523 176.300 0.134 0.000 1.074 187 R CA 0.211 56.385 56.100 0.123 0.000 1.076 187 R CB 0.410 30.752 30.300 0.069 0.000 0.993 187 R HN 0.957 nan 8.270 nan 0.000 0.459 188 S N 2.340 118.166 115.700 0.209 0.000 2.851 188 S HA 0.500 4.963 4.470 -0.013 0.000 0.317 188 S C 0.697 175.428 174.600 0.219 0.000 1.144 188 S CA -0.373 57.936 58.200 0.182 0.000 0.862 188 S CB 1.232 64.559 63.200 0.211 0.000 1.259 188 S HN 0.631 nan 8.310 nan 0.000 0.564 189 A N -0.091 122.775 122.820 0.076 0.000 2.067 189 A HA 0.040 4.352 4.320 -0.013 0.000 0.219 189 A C 1.481 178.932 177.584 -0.221 0.000 1.158 189 A CA 1.534 53.518 52.037 -0.087 0.000 0.661 189 A CB -1.182 17.628 19.000 -0.316 0.000 0.801 189 A HN 0.880 nan 8.150 nan 0.000 0.452 190 H N -0.893 118.211 119.070 0.056 0.000 2.622 190 H HA 0.278 4.825 4.556 -0.015 0.000 0.269 190 H C 0.168 175.429 175.328 -0.111 0.000 0.977 190 H CA 0.895 56.930 56.048 -0.022 0.000 1.179 190 H CB 0.230 30.007 29.762 0.024 0.000 1.458 190 H HN 0.653 nan 8.280 nan 0.000 0.531 191 K N -0.653 119.738 120.400 -0.015 0.000 2.660 191 K HA 0.228 4.540 4.320 -0.013 0.000 0.285 191 K C -1.411 175.286 176.600 0.162 0.000 0.997 191 K CA -0.933 55.346 56.287 -0.013 0.000 0.861 191 K CB 1.535 34.109 32.500 0.123 0.000 1.469 191 K HN -0.056 nan 8.250 nan 0.000 0.395 192 Q N 1.064 120.956 119.800 0.154 0.000 2.443 192 Q HA -0.007 4.325 4.340 -0.013 0.000 0.232 192 Q C 0.993 177.047 176.000 0.090 0.000 1.026 192 Q CA -0.063 55.829 55.803 0.147 0.000 0.924 192 Q CB 0.876 29.522 28.738 -0.154 0.000 1.256 192 Q HN 0.773 nan 8.270 nan 0.000 0.519 193 E N 0.196 120.437 120.200 0.069 0.000 2.150 193 E HA -0.163 4.179 4.350 -0.013 0.000 0.193 193 E C 1.057 177.716 176.600 0.099 0.000 0.985 193 E CA 1.799 58.247 56.400 0.079 0.000 0.814 193 E CB -0.216 29.521 29.700 0.061 0.000 0.752 193 E HN 0.700 nan 8.360 nan 0.000 0.466 194 T N -1.641 112.963 114.554 0.083 0.000 3.244 194 T HA 0.177 4.519 4.350 -0.013 0.000 0.254 194 T C 0.069 175.028 174.700 0.433 0.000 1.024 194 T CA -0.500 61.724 62.100 0.206 0.000 0.920 194 T CB -0.667 68.310 68.868 0.181 0.000 1.042 194 T HN 0.192 nan 8.240 nan 0.000 0.572 195 H N 1.139 120.329 119.070 0.200 0.000 2.569 195 H HA 0.502 5.049 4.556 -0.014 0.000 0.357 195 H C 0.161 175.541 175.328 0.086 0.000 1.153 195 H CA -1.119 55.013 56.048 0.140 0.000 1.193 195 H CB 1.906 31.732 29.762 0.107 0.000 1.602 195 H HN 0.334 nan 8.280 nan 0.000 0.523 196 T N -0.260 114.375 114.554 0.136 0.000 2.909 196 T HA 0.088 4.430 4.350 -0.013 0.000 0.289 196 T C 1.214 175.952 174.700 0.063 0.000 1.005 196 T CA -0.820 61.326 62.100 0.077 0.000 1.084 196 T CB 1.352 70.237 68.868 0.028 0.000 0.975 196 T HN 0.515 nan 8.240 nan 0.000 0.509 197 M N 1.169 120.800 119.600 0.052 0.000 2.229 197 M HA 0.035 4.507 4.480 -0.013 0.000 0.264 197 M C 1.787 178.100 176.300 0.022 0.000 1.063 197 M CA 1.577 56.900 55.300 0.038 0.000 1.114 197 M CB -0.962 31.649 32.600 0.017 0.000 1.387 197 M HN 0.811 nan 8.290 nan 0.000 0.420 198 E N 0.431 120.645 120.200 0.023 0.000 2.049 198 E HA -0.173 4.169 4.350 -0.013 0.000 0.198 198 E C 2.083 178.746 176.600 0.104 0.000 1.007 198 E CA 2.021 58.454 56.400 0.055 0.000 0.809 198 E CB -0.931 28.786 29.700 0.028 0.000 0.749 198 E HN 0.615 nan 8.360 nan 0.000 0.450 199 A N 0.454 123.331 122.820 0.095 0.000 1.877 199 A HA -0.171 4.142 4.320 -0.013 0.000 0.216 199 A C 2.540 180.044 177.584 -0.134 0.000 1.186 199 A CA 1.711 53.712 52.037 -0.059 0.000 0.620 199 A CB -0.817 18.088 19.000 -0.157 0.000 0.822 199 A HN 0.154 nan 8.150 nan 0.000 0.443 200 V N 0.548 120.423 119.914 -0.064 0.000 2.358 200 V HA -0.231 3.881 4.120 -0.013 0.000 0.246 200 V C 2.500 178.594 176.094 -0.001 0.000 1.047 200 V CA 2.082 64.371 62.300 -0.018 0.000 1.035 200 V CB -0.621 31.240 31.823 0.063 0.000 0.658 200 V HN 0.444 nan 8.190 nan 0.000 0.452 201 K N 0.164 120.564 120.400 -0.001 0.000 2.063 201 K HA -0.097 4.215 4.320 -0.013 0.000 0.208 201 K C 2.084 178.679 176.600 -0.008 0.000 1.048 201 K CA 1.403 57.691 56.287 0.002 0.000 0.928 201 K CB -0.586 31.905 32.500 -0.015 0.000 0.713 201 K HN 0.408 nan 8.250 nan 0.000 0.442 202 L N 0.639 121.823 121.223 -0.064 0.000 2.072 202 L HA -0.114 4.219 4.340 -0.013 0.000 0.205 202 L C 2.494 179.300 176.870 -0.107 0.000 1.079 202 L CA 0.601 55.383 54.840 -0.096 0.000 0.752 202 L CB -0.645 41.294 42.059 -0.200 0.000 0.906 202 L HN -0.131 nan 8.230 nan 0.000 0.436 203 V N 0.294 120.093 119.914 -0.191 0.000 2.343 203 V HA -0.298 3.814 4.120 -0.013 0.000 0.247 203 V C 2.513 178.661 176.094 0.090 0.000 1.051 203 V CA 2.101 64.331 62.300 -0.118 0.000 1.036 203 V CB -0.520 31.263 31.823 -0.067 0.000 0.654 203 V HN 0.532 nan 8.190 nan 0.000 0.451 204 E N -0.374 119.857 120.200 0.052 0.000 2.106 204 E HA -0.251 4.091 4.350 -0.013 0.000 0.192 204 E C 2.100 178.623 176.600 -0.128 0.000 0.984 204 E CA 1.339 57.737 56.400 -0.003 0.000 0.806 204 E CB -0.183 29.538 29.700 0.036 0.000 0.750 204 E HN 0.577 nan 8.360 nan 0.000 0.458 205 F N 1.749 121.598 119.950 -0.168 0.000 2.134 205 F HA -0.142 4.359 4.527 -0.044 0.000 0.299 205 F C 1.857 177.575 175.800 -0.136 0.000 1.097 205 F CA 2.101 59.997 58.000 -0.173 0.000 1.264 205 F CB -0.296 38.634 39.000 -0.116 0.000 1.001 205 F HN 0.064 nan 8.300 nan 0.000 0.479 206 D N 0.010 120.425 120.400 0.025 0.000 2.097 206 D HA -0.208 4.424 4.640 -0.013 0.000 0.195 206 D C 2.186 178.396 176.300 -0.150 0.000 0.989 206 D CA 1.338 55.383 54.000 0.075 0.000 0.827 206 D CB -0.262 40.794 40.800 0.425 0.000 0.966 206 D HN 0.273 nan 8.370 nan 0.000 0.456 207 L N 1.111 122.094 121.223 -0.399 0.000 1.971 207 L HA -0.179 4.153 4.340 -0.013 0.000 0.215 207 L C 1.960 178.446 176.870 -0.640 0.000 1.072 207 L CA 1.973 56.267 54.840 -0.910 0.000 0.758 207 L CB -0.590 41.041 42.059 -0.713 0.000 0.889 207 L HN -0.057 nan 8.230 nan 0.000 0.433 208 K N -1.177 118.818 120.400 -0.674 0.000 2.147 208 K HA -0.177 4.135 4.320 -0.013 0.000 0.205 208 K C 2.140 178.523 176.600 -0.362 0.000 1.049 208 K CA 1.332 57.175 56.287 -0.739 0.000 0.936 208 K CB -0.151 31.701 32.500 -1.080 0.000 0.722 208 K HN 0.453 nan 8.250 nan 0.000 0.446 209 Q N -0.006 119.514 119.800 -0.465 0.000 2.049 209 Q HA -0.072 4.260 4.340 -0.013 0.000 0.198 209 Q C 2.233 178.128 176.000 -0.175 0.000 0.971 209 Q CA 1.569 57.151 55.803 -0.369 0.000 0.833 209 Q CB -0.385 28.021 28.738 -0.553 0.000 0.896 209 Q HN 0.326 nan 8.270 nan 0.000 0.434 210 T N 2.369 116.839 114.554 -0.140 0.000 2.635 210 T HA -0.147 4.195 4.350 -0.013 0.000 0.267 210 T C 2.083 176.730 174.700 -0.088 0.000 1.040 210 T CA 1.138 63.227 62.100 -0.019 0.000 1.156 210 T CB -0.405 68.500 68.868 0.062 0.000 0.863 210 T HN 0.166 nan 8.240 nan 0.000 0.430 211 L N 0.556 121.678 121.223 -0.168 0.000 2.131 211 L HA -0.119 4.213 4.340 -0.013 0.000 0.210 211 L C 2.905 179.697 176.870 -0.130 0.000 1.092 211 L CA 1.184 55.907 54.840 -0.195 0.000 0.759 211 L CB -0.930 41.051 42.059 -0.130 0.000 0.903 211 L HN 0.337 nan 8.230 nan 0.000 0.435 212 T N -0.985 113.545 114.554 -0.039 0.000 2.770 212 T HA -0.113 4.229 4.350 -0.013 0.000 0.263 212 T C 2.018 176.669 174.700 -0.081 0.000 1.039 212 T CA 0.881 62.958 62.100 -0.038 0.000 1.142 212 T CB -0.084 68.801 68.868 0.029 0.000 0.868 212 T HN 0.263 nan 8.240 nan 0.000 0.435 213 R N 0.473 120.929 120.500 -0.073 0.000 2.080 213 R HA -0.078 4.254 4.340 -0.013 0.000 0.236 213 R C 2.450 178.634 176.300 -0.193 0.000 1.137 213 R CA 1.321 57.393 56.100 -0.047 0.000 0.943 213 R CB -0.803 29.536 30.300 0.066 0.000 0.846 213 R HN 0.245 nan 8.270 nan 0.000 0.431 214 L N 0.500 121.439 121.223 -0.474 0.000 1.989 214 L HA -0.195 4.137 4.340 -0.013 0.000 0.211 214 L C 2.276 178.960 176.870 -0.309 0.000 1.071 214 L CA 1.831 56.164 54.840 -0.845 0.000 0.749 214 L CB -0.386 41.230 42.059 -0.738 0.000 0.890 214 L HN 0.102 nan 8.230 nan 0.000 0.431 215 M N -0.287 119.203 119.600 -0.183 0.000 2.159 215 M HA -0.058 4.414 4.480 -0.013 0.000 0.263 215 M C 2.192 178.535 176.300 0.072 0.000 1.063 215 M CA 1.800 57.084 55.300 -0.025 0.000 1.110 215 M CB -1.067 31.462 32.600 -0.118 0.000 1.374 215 M HN 0.428 nan 8.290 nan 0.000 0.411 216 A N -2.047 120.768 122.820 -0.008 0.000 2.014 216 A HA -0.164 4.148 4.320 -0.013 0.000 0.218 216 A C 1.988 179.604 177.584 0.053 0.000 1.163 216 A CA 1.734 53.788 52.037 0.029 0.000 0.652 216 A CB -0.988 18.015 19.000 0.005 0.000 0.808 216 A HN 0.642 nan 8.150 nan 0.000 0.449 217 H N 0.374 119.386 119.070 -0.097 0.000 2.293 217 H HA -0.028 4.520 4.556 -0.014 0.000 0.300 217 H C 1.649 176.913 175.328 -0.105 0.000 1.082 217 H CA 2.133 58.123 56.048 -0.095 0.000 1.308 217 H CB -0.363 29.303 29.762 -0.160 0.000 1.375 217 H HN 0.342 nan 8.280 nan 0.000 0.495 218 L N -1.265 119.788 121.223 -0.284 0.000 2.056 218 L HA -0.098 4.234 4.340 -0.013 0.000 0.207 218 L C 1.401 177.952 176.870 -0.532 0.000 1.078 218 L CA 1.243 55.782 54.840 -0.502 0.000 0.749 218 L CB -0.227 41.527 42.059 -0.509 0.000 0.901 218 L HN 0.251 nan 8.230 nan 0.000 0.433 219 F N -0.635 119.210 119.950 -0.176 0.000 2.661 219 F HA 0.401 4.920 4.527 -0.013 0.000 0.306 219 F C 1.397 177.144 175.800 -0.088 0.000 1.094 219 F CA 0.046 57.966 58.000 -0.133 0.000 1.254 219 F CB 0.062 38.986 39.000 -0.128 0.000 1.040 219 F HN 0.085 nan 8.300 nan 0.000 0.562 220 G N 1.717 110.554 108.800 0.063 0.000 2.894 220 G HA2 -0.365 3.587 3.960 -0.013 0.000 0.247 220 G HA3 -0.365 3.587 3.960 -0.013 0.000 0.247 220 G C 0.124 175.055 174.900 0.053 0.000 1.442 220 G CA -0.015 45.112 45.100 0.045 0.000 0.897 220 G HN 0.546 nan 8.290 nan 0.000 0.550 221 D N -0.607 119.812 120.400 0.032 0.000 2.370 221 D HA 0.135 4.768 4.640 -0.013 0.000 0.256 221 D C 1.364 177.671 176.300 0.012 0.000 1.197 221 D CA 1.129 55.141 54.000 0.019 0.000 0.922 221 D CB 0.385 41.195 40.800 0.017 0.000 0.911 221 D HN 0.365 nan 8.370 nan 0.000 0.517 222 E N -0.005 120.206 120.200 0.019 0.000 2.340 222 E HA 0.133 4.475 4.350 -0.013 0.000 0.194 222 E C 1.047 177.631 176.600 -0.026 0.000 0.996 222 E CA -0.014 56.390 56.400 0.006 0.000 0.869 222 E CB 0.122 29.837 29.700 0.025 0.000 0.835 222 E HN 0.629 nan 8.360 nan 0.000 0.493 223 L N -0.176 121.014 121.223 -0.056 0.000 2.439 223 L HA 0.397 4.729 4.340 -0.013 0.000 0.261 223 L C 0.109 176.899 176.870 -0.132 0.000 1.153 223 L CA -0.546 54.208 54.840 -0.143 0.000 0.808 223 L CB 0.852 42.720 42.059 -0.318 0.000 1.126 223 L HN -0.332 nan 8.230 nan 0.000 0.460 224 E N 4.064 124.171 120.200 -0.156 0.000 2.081 224 E HA 0.434 4.777 4.350 -0.013 0.000 0.276 224 E C -0.408 176.172 176.600 -0.034 0.000 0.950 224 E CA -0.231 56.118 56.400 -0.084 0.000 0.776 224 E CB 1.808 31.419 29.700 -0.148 0.000 1.094 224 E HN 0.701 nan 8.360 nan 0.000 0.402 225 I N -0.006 120.570 120.570 0.010 0.000 3.133 225 I HA 0.692 4.854 4.170 -0.013 0.000 0.311 225 I C -0.302 175.786 176.117 -0.049 0.000 1.072 225 I CA -1.119 60.166 61.300 -0.026 0.000 1.015 225 I CB 2.385 40.179 38.000 -0.343 0.000 1.233 225 I HN 0.276 nan 8.210 nan 0.000 0.473 226 R N 2.372 122.683 120.500 -0.315 0.000 2.594 226 R HA 0.340 4.672 4.340 -0.013 0.000 0.265 226 R C -2.715 173.268 176.300 -0.529 0.000 1.070 226 R CA -0.639 55.174 56.100 -0.478 0.000 0.909 226 R CB 0.984 30.841 30.300 -0.738 0.000 1.243 226 R HN 0.836 nan 8.270 nan 0.000 0.455 227 W N 2.210 123.417 121.300 -0.156 0.000 2.365 227 W HA 0.540 5.219 4.660 0.032 0.000 0.316 227 W C -0.230 176.256 176.519 -0.055 0.000 1.164 227 W CA -0.629 56.653 57.345 -0.106 0.000 1.204 227 W CB 1.745 31.094 29.460 -0.184 0.000 1.213 227 W HN 0.144 nan 8.180 nan 0.000 0.539 228 V N 3.492 123.570 119.914 0.273 0.000 2.540 228 V HA 0.182 4.294 4.120 -0.013 0.000 0.302 228 V C -0.435 175.819 176.094 0.267 0.000 1.035 228 V CA -1.020 61.383 62.300 0.171 0.000 0.873 228 V CB 1.597 33.461 31.823 0.068 0.000 0.992 228 V HN 0.362 nan 8.190 nan 0.000 0.428 229 D N 3.440 123.956 120.400 0.192 0.000 2.351 229 D HA 0.507 5.139 4.640 -0.013 0.000 0.251 229 D C 0.100 176.414 176.300 0.023 0.000 1.137 229 D CA 0.189 54.263 54.000 0.122 0.000 0.879 229 D CB 1.235 42.077 40.800 0.071 0.000 1.181 229 D HN 0.871 nan 8.370 nan 0.000 0.448 230 C N 1.338 120.606 119.300 -0.054 0.000 3.275 230 C HA 0.760 5.212 4.460 -0.013 0.000 0.373 230 C C -1.265 173.622 174.990 -0.172 0.000 1.934 230 C CA -1.080 57.866 59.018 -0.120 0.000 1.228 230 C CB 0.767 28.398 27.740 -0.182 0.000 2.317 230 C HN 0.593 nan 8.230 nan 0.000 0.437 231 Y N 0.361 120.365 120.300 -0.492 0.000 2.457 231 Y HA 0.797 5.338 4.550 -0.015 0.000 0.343 231 Y C -1.774 173.643 175.900 -0.804 0.000 0.994 231 Y CA -1.047 56.785 58.100 -0.446 0.000 1.031 231 Y CB 1.557 39.863 38.460 -0.257 0.000 1.246 231 Y HN 0.702 nan 8.280 nan 0.000 0.449 232 F N 5.932 125.210 119.950 -1.120 0.000 2.591 232 F HA 0.444 4.960 4.527 -0.019 0.000 0.309 232 F C -2.063 172.881 175.800 -1.426 0.000 1.098 232 F CA -2.292 55.015 58.000 -1.155 0.000 0.937 232 F CB 1.998 40.282 39.000 -1.193 0.000 1.250 232 F HN 0.299 nan 8.300 nan 0.000 0.447 233 P HA -0.084 nan 4.420 nan 0.000 0.226 233 P C 0.626 177.861 177.300 -0.108 0.000 1.153 233 P CA 1.198 64.113 63.100 -0.309 0.000 0.777 233 P CB -0.119 31.591 31.700 0.017 0.000 0.794 234 F N -1.923 118.004 119.950 -0.040 0.000 2.641 234 F HA 0.418 4.938 4.527 -0.011 0.000 0.302 234 F C 0.199 176.023 175.800 0.039 0.000 1.098 234 F CA -0.534 57.469 58.000 0.005 0.000 1.318 234 F CB -0.932 38.066 39.000 -0.003 0.000 1.035 234 F HN -0.226 nan 8.300 nan 0.000 0.551 235 T N -2.173 112.316 114.554 -0.107 0.000 2.853 235 T HA 0.583 4.925 4.350 -0.013 0.000 0.311 235 T C -1.886 172.848 174.700 0.058 0.000 1.307 235 T CA -0.780 61.337 62.100 0.029 0.000 1.019 235 T CB 2.374 71.256 68.868 0.022 0.000 1.264 235 T HN 0.343 nan 8.240 nan 0.000 0.497 236 H N 0.698 119.760 119.070 -0.014 0.000 3.143 236 H HA 0.434 4.992 4.556 0.003 0.000 0.303 236 H C -3.244 172.102 175.328 0.030 0.000 1.109 236 H CA -0.611 55.414 56.048 -0.038 0.000 1.494 236 H CB 1.785 31.536 29.762 -0.018 0.000 2.132 236 H HN 0.552 nan 8.280 nan 0.000 0.433 237 P HA 0.247 nan 4.420 nan 0.000 0.273 237 P C -0.781 176.245 177.300 -0.457 0.000 1.250 237 P CA -0.316 62.481 63.100 -0.505 0.000 0.793 237 P CB 1.063 32.466 31.700 -0.494 0.000 1.011 238 S N -0.380 114.967 115.700 -0.588 0.000 2.570 238 S HA 0.780 5.242 4.470 -0.013 0.000 0.286 238 S C -0.805 173.335 174.600 -0.766 0.000 1.099 238 S CA -0.312 57.614 58.200 -0.457 0.000 0.913 238 S CB 0.912 64.143 63.200 0.051 0.000 1.085 238 S HN 0.333 nan 8.310 nan 0.000 0.480 239 F N 0.300 120.395 119.950 0.241 0.000 2.613 239 F HA 0.584 5.095 4.527 -0.027 0.000 0.314 239 F C 0.075 176.077 175.800 0.337 0.000 1.075 239 F CA -0.956 57.190 58.000 0.244 0.000 0.945 239 F CB 1.468 40.605 39.000 0.227 0.000 1.310 239 F HN 0.409 nan 8.300 nan 0.000 0.467 240 E N 1.532 122.007 120.200 0.459 0.000 2.195 240 E HA 0.474 4.816 4.350 -0.013 0.000 0.271 240 E C -1.090 175.668 176.600 0.262 0.000 0.923 240 E CA -0.919 55.689 56.400 0.346 0.000 0.790 240 E CB 2.336 32.181 29.700 0.242 0.000 1.155 240 E HN 0.529 nan 8.360 nan 0.000 0.402 241 M N 2.544 122.209 119.600 0.110 0.000 2.238 241 M HA 0.290 4.762 4.480 -0.013 0.000 0.350 241 M C -1.048 175.159 176.300 -0.154 0.000 1.138 241 M CA -0.253 54.925 55.300 -0.205 0.000 1.040 241 M CB 0.898 33.215 32.600 -0.472 0.000 1.639 241 M HN 0.491 nan 8.290 nan 0.000 0.451 242 E N 4.490 124.592 120.200 -0.162 0.000 2.195 242 E HA 0.540 4.882 4.350 -0.013 0.000 0.271 242 E C -1.231 175.413 176.600 0.074 0.000 0.923 242 E CA -0.645 55.768 56.400 0.021 0.000 0.790 242 E CB 2.679 32.463 29.700 0.141 0.000 1.155 242 E HN 0.655 nan 8.360 nan 0.000 0.402 243 I N 2.088 122.676 120.570 0.030 0.000 2.441 243 I HA 0.181 4.343 4.170 -0.013 0.000 0.295 243 I C 0.074 176.101 176.117 -0.149 0.000 0.994 243 I CA -0.722 60.522 61.300 -0.093 0.000 1.144 243 I CB 1.473 39.288 38.000 -0.308 0.000 1.314 243 I HN 0.367 nan 8.210 nan 0.000 0.445 244 N N 5.907 124.314 118.700 -0.487 0.000 2.430 244 N HA 0.271 5.003 4.740 -0.013 0.000 0.265 244 N C -1.652 173.672 175.510 -0.310 0.000 1.100 244 N CA 0.114 52.699 53.050 -0.774 0.000 0.961 244 N CB 0.912 38.594 38.487 -1.341 0.000 1.075 244 N HN 0.360 nan 8.380 nan 0.000 0.478 245 F N 2.657 122.385 119.950 -0.369 0.000 2.588 245 F HA 0.239 4.758 4.527 -0.014 0.000 0.314 245 F C 0.221 175.938 175.800 -0.138 0.000 1.134 245 F CA -0.389 57.454 58.000 -0.263 0.000 0.961 245 F CB 0.678 39.505 39.000 -0.288 0.000 1.239 245 F HN 0.685 nan 8.300 nan 0.000 0.448 246 H N 3.596 122.229 119.070 -0.729 0.000 2.690 246 H HA -0.180 4.369 4.556 -0.013 0.000 0.309 246 H C 1.205 176.369 175.328 -0.272 0.000 1.138 246 H CA 0.748 56.485 56.048 -0.517 0.000 1.142 246 H CB -1.039 28.403 29.762 -0.534 0.000 1.410 246 H HN 1.324 nan 8.280 nan 0.000 0.409 247 G N 0.338 109.043 108.800 -0.159 0.000 2.149 247 G HA2 -0.274 3.678 3.960 -0.013 0.000 0.235 247 G HA3 -0.274 3.678 3.960 -0.013 0.000 0.235 247 G C -0.211 174.595 174.900 -0.157 0.000 1.018 247 G CA 0.508 45.511 45.100 -0.162 0.000 0.728 247 G HN 0.636 nan 8.290 nan 0.000 0.508 248 E N -1.592 118.487 120.200 -0.201 0.000 2.335 248 E HA 0.447 4.789 4.350 -0.013 0.000 0.280 248 E C -0.913 175.578 176.600 -0.182 0.000 0.918 248 E CA -1.075 55.257 56.400 -0.112 0.000 0.765 248 E CB 1.186 30.893 29.700 0.010 0.000 1.218 248 E HN 0.239 nan 8.360 nan 0.000 0.425 249 W N 5.122 126.429 121.300 0.011 0.000 2.507 249 W HA 0.297 4.953 4.660 -0.008 0.000 0.334 249 W C -0.490 176.023 176.519 -0.010 0.000 1.165 249 W CA -0.377 56.960 57.345 -0.013 0.000 1.460 249 W CB 0.315 29.761 29.460 -0.022 0.000 1.404 249 W HN 0.212 nan 8.180 nan 0.000 0.435 250 L N 5.108 126.421 121.223 0.149 0.000 2.289 250 L HA 0.274 4.606 4.340 -0.013 0.000 0.285 250 L C 0.796 177.702 176.870 0.061 0.000 1.049 250 L CA -1.042 53.848 54.840 0.083 0.000 0.804 250 L CB 0.740 42.808 42.059 0.015 0.000 1.195 250 L HN 0.348 nan 8.230 nan 0.000 0.428 251 E N 3.828 124.062 120.200 0.057 0.000 2.316 251 E HA 0.102 4.444 4.350 -0.013 0.000 0.275 251 E C 0.349 176.953 176.600 0.007 0.000 1.029 251 E CA -0.366 56.059 56.400 0.043 0.000 0.871 251 E CB 1.936 31.683 29.700 0.079 0.000 1.022 251 E HN 0.474 nan 8.360 nan 0.000 0.418 252 V N 0.606 120.509 119.914 -0.017 0.000 3.477 252 V HA 0.299 4.412 4.120 -0.013 0.000 0.297 252 V C 0.057 176.159 176.094 0.012 0.000 1.433 252 V CA 0.152 62.435 62.300 -0.028 0.000 1.052 252 V CB -0.696 31.082 31.823 -0.075 0.000 0.895 252 V HN 0.579 nan 8.190 nan 0.000 0.438 253 L N -2.602 118.653 121.223 0.052 0.000 2.794 253 L HA 1.025 5.358 4.340 -0.013 0.000 0.261 253 L C -0.538 176.440 176.870 0.180 0.000 0.989 253 L CA -0.139 54.765 54.840 0.106 0.000 0.900 253 L CB 0.845 42.926 42.059 0.037 0.000 1.473 253 L HN 0.101 nan 8.230 nan 0.000 0.414 254 G N -0.675 108.236 108.800 0.185 0.000 2.432 254 G HA2 0.848 4.800 3.960 -0.013 0.000 0.331 254 G HA3 0.848 4.800 3.960 -0.013 0.000 0.331 254 G C -0.588 174.392 174.900 0.133 0.000 1.170 254 G CA -0.163 45.025 45.100 0.147 0.000 0.943 254 G HN 1.806 nan 8.290 nan 0.000 0.483 255 C N -1.288 118.124 119.300 0.186 0.000 3.211 255 C HA 1.036 5.489 4.460 -0.013 0.000 0.350 255 C C 0.280 175.439 174.990 0.283 0.000 1.413 255 C CA 0.092 59.271 59.018 0.268 0.000 1.203 255 C CB 1.281 29.238 27.740 0.361 0.000 1.506 255 C HN 2.337 nan 8.230 nan 0.000 0.448 256 G N -0.484 108.498 108.800 0.304 0.000 2.327 256 G HA2 0.538 4.490 3.960 -0.013 0.000 0.291 256 G HA3 0.538 4.490 3.960 -0.013 0.000 0.291 256 G C -1.759 173.319 174.900 0.297 0.000 1.290 256 G CA 0.023 45.276 45.100 0.255 0.000 0.857 256 G HN 1.745 nan 8.290 nan 0.000 0.520 257 V N 1.628 121.683 119.914 0.234 0.000 2.461 257 V HA 0.392 4.504 4.120 -0.013 0.000 0.275 257 V C 1.045 177.295 176.094 0.261 0.000 1.047 257 V CA -0.147 62.319 62.300 0.277 0.000 0.955 257 V CB 1.030 33.001 31.823 0.246 0.000 0.988 257 V HN 0.634 nan 8.190 nan 0.000 0.471 258 M N 3.750 123.520 119.600 0.283 0.000 2.252 258 M HA 0.142 4.614 4.480 -0.013 0.000 0.348 258 M C 0.491 176.945 176.300 0.257 0.000 1.334 258 M CA 0.050 55.502 55.300 0.254 0.000 1.071 258 M CB -0.010 32.723 32.600 0.221 0.000 1.763 258 M HN 0.506 nan 8.290 nan 0.000 0.452 259 E N 2.567 122.895 120.200 0.212 0.000 2.585 259 E HA -0.125 4.217 4.350 -0.013 0.000 0.252 259 E C 0.549 177.257 176.600 0.181 0.000 0.981 259 E CA 0.353 56.854 56.400 0.170 0.000 0.943 259 E CB 0.662 30.455 29.700 0.156 0.000 0.923 259 E HN 0.503 nan 8.360 nan 0.000 0.486 260 Q N 3.277 123.168 119.800 0.150 0.000 2.170 260 Q HA -0.214 4.118 4.340 -0.013 0.000 0.203 260 Q C 1.814 177.905 176.000 0.151 0.000 0.976 260 Q CA 1.734 57.660 55.803 0.206 0.000 0.858 260 Q CB -0.010 28.862 28.738 0.222 0.000 0.907 260 Q HN 0.619 nan 8.270 nan 0.000 0.433 261 Q N -0.634 119.237 119.800 0.119 0.000 2.224 261 Q HA -0.137 4.195 4.340 -0.013 0.000 0.203 261 Q C 1.935 178.033 176.000 0.163 0.000 0.970 261 Q CA 0.937 56.811 55.803 0.118 0.000 0.865 261 Q CB -0.120 28.678 28.738 0.100 0.000 0.922 261 Q HN 0.562 nan 8.270 nan 0.000 0.445 262 L N -0.088 121.242 121.223 0.178 0.000 1.994 262 L HA -0.164 4.168 4.340 -0.013 0.000 0.208 262 L C 2.154 179.153 176.870 0.216 0.000 1.071 262 L CA 1.120 56.094 54.840 0.224 0.000 0.745 262 L CB -0.231 41.951 42.059 0.206 0.000 0.892 262 L HN 0.138 nan 8.230 nan 0.000 0.431 263 V N 0.546 120.563 119.914 0.171 0.000 2.427 263 V HA -0.241 3.871 4.120 -0.013 0.000 0.248 263 V C 2.245 178.399 176.094 0.099 0.000 1.051 263 V CA 1.751 64.126 62.300 0.126 0.000 1.048 263 V CB -0.858 31.058 31.823 0.155 0.000 0.666 263 V HN 0.516 nan 8.190 nan 0.000 0.456 264 N N 0.981 119.750 118.700 0.115 0.000 2.142 264 N HA -0.123 4.609 4.740 -0.013 0.000 0.186 264 N C 2.058 177.644 175.510 0.127 0.000 1.023 264 N CA 1.794 54.895 53.050 0.086 0.000 0.852 264 N CB -0.507 38.017 38.487 0.061 0.000 0.998 264 N HN 0.631 nan 8.380 nan 0.000 0.424 265 S N -0.410 115.419 115.700 0.217 0.000 2.555 265 S HA 0.148 4.610 4.470 -0.013 0.000 0.230 265 S C 1.710 176.535 174.600 0.375 0.000 0.978 265 S CA 0.642 59.058 58.200 0.361 0.000 0.934 265 S CB -0.043 63.462 63.200 0.508 0.000 0.766 265 S HN 0.324 nan 8.310 nan 0.000 0.533 266 A N 0.786 123.630 122.820 0.039 0.000 2.147 266 A HA 0.614 4.926 4.320 -0.013 0.000 0.211 266 A C 1.667 179.173 177.584 -0.131 0.000 1.160 266 A CA 0.446 52.245 52.037 -0.395 0.000 0.781 266 A CB -0.584 18.116 19.000 -0.500 0.000 0.842 266 A HN 1.473 nan 8.150 nan 0.000 0.475 267 G N -2.315 106.470 108.800 -0.025 0.000 2.143 267 G HA2 0.205 4.157 3.960 -0.013 0.000 0.175 267 G HA3 0.205 4.157 3.960 -0.013 0.000 0.175 267 G C 0.243 175.121 174.900 -0.038 0.000 1.004 267 G CA -0.002 45.080 45.100 -0.030 0.000 0.671 267 G HN 1.557 nan 8.290 nan 0.000 0.512 268 A N 0.908 123.719 122.820 -0.015 0.000 3.218 268 A HA 0.606 4.918 4.320 -0.013 0.000 0.321 268 A C 1.414 179.027 177.584 0.048 0.000 1.012 268 A CA 0.548 52.590 52.037 0.007 0.000 0.948 268 A CB 0.134 19.134 19.000 -0.000 0.000 1.050 268 A HN 0.493 nan 8.150 nan 0.000 0.492 269 Q N 0.726 120.543 119.800 0.027 0.000 2.541 269 Q HA -0.124 4.208 4.340 -0.013 0.000 0.215 269 Q C -0.162 175.855 176.000 0.030 0.000 0.977 269 Q CA 1.107 56.904 55.803 -0.009 0.000 0.934 269 Q CB -0.197 28.501 28.738 -0.067 0.000 0.988 269 Q HN 0.789 nan 8.270 nan 0.000 0.521 270 D N -0.311 120.170 120.400 0.135 0.000 2.402 270 D HA 0.111 4.743 4.640 -0.013 0.000 0.216 270 D C 0.021 176.489 176.300 0.281 0.000 1.128 270 D CA -0.241 53.906 54.000 0.245 0.000 0.833 270 D CB 0.416 41.311 40.800 0.159 0.000 0.971 270 D HN -0.116 nan 8.370 nan 0.000 0.503 271 R N 0.438 121.102 120.500 0.273 0.000 2.854 271 R HA 0.630 4.962 4.340 -0.013 0.000 0.271 271 R C -0.736 175.705 176.300 0.235 0.000 0.996 271 R CA -0.903 55.309 56.100 0.185 0.000 0.961 271 R CB 2.068 32.417 30.300 0.082 0.000 1.182 271 R HN 0.127 nan 8.270 nan 0.000 0.479 272 I N -0.134 120.506 120.570 0.115 0.000 2.608 272 I HA 0.716 4.878 4.170 -0.013 0.000 0.295 272 I C -0.519 175.686 176.117 0.147 0.000 1.049 272 I CA -0.457 60.892 61.300 0.082 0.000 1.063 272 I CB 2.268 40.162 38.000 -0.176 0.000 1.248 272 I HN 0.679 nan 8.210 nan 0.000 0.424 273 G N 6.198 115.092 108.800 0.156 0.000 2.642 273 G HA2 0.510 4.462 3.960 -0.013 0.000 0.293 273 G HA3 0.510 4.462 3.960 -0.013 0.000 0.293 273 G C -1.811 173.228 174.900 0.231 0.000 1.341 273 G CA -0.723 44.441 45.100 0.107 0.000 0.916 273 G HN 0.764 nan 8.290 nan 0.000 0.474 274 W N -0.525 120.901 121.300 0.209 0.000 2.671 274 W HA 0.835 5.483 4.660 -0.020 0.000 0.360 274 W C -0.523 176.058 176.519 0.103 0.000 1.128 274 W CA -1.187 56.269 57.345 0.184 0.000 1.184 274 W CB 1.634 31.235 29.460 0.234 0.000 1.415 274 W HN 0.898 nan 8.180 nan 0.000 0.604 275 A N 1.957 125.167 122.820 0.649 0.000 2.539 275 A HA 0.892 5.204 4.320 -0.013 0.000 0.296 275 A C -1.837 176.010 177.584 0.438 0.000 1.073 275 A CA -0.715 51.572 52.037 0.417 0.000 0.700 275 A CB 1.821 20.927 19.000 0.178 0.000 1.296 275 A HN 0.916 nan 8.150 nan 0.000 0.405 276 F N -0.750 119.364 119.950 0.274 0.000 2.645 276 F HA 0.881 5.397 4.527 -0.017 0.000 0.310 276 F C -0.103 175.755 175.800 0.096 0.000 1.102 276 F CA -1.025 57.061 58.000 0.144 0.000 0.952 276 F CB 1.369 40.432 39.000 0.106 0.000 1.326 276 F HN 0.926 nan 8.300 nan 0.000 0.456 277 G N 2.004 111.061 108.800 0.428 0.000 2.683 277 G HA2 0.642 4.594 3.960 -0.013 0.000 0.299 277 G HA3 0.642 4.594 3.960 -0.013 0.000 0.299 277 G C -2.069 173.035 174.900 0.339 0.000 1.432 277 G CA -0.951 44.326 45.100 0.295 0.000 0.978 277 G HN 0.970 nan 8.290 nan 0.000 0.513 278 L N 0.968 122.391 121.223 0.334 0.000 2.346 278 L HA 0.932 5.264 4.340 -0.013 0.000 0.274 278 L C 0.411 177.377 176.870 0.160 0.000 1.007 278 L CA -1.275 53.689 54.840 0.208 0.000 0.818 278 L CB 1.929 44.081 42.059 0.154 0.000 1.284 278 L HN 0.473 nan 8.230 nan 0.000 0.424 279 G N 2.602 111.471 108.800 0.116 0.000 2.351 279 G HA2 0.404 4.356 3.960 -0.013 0.000 0.287 279 G HA3 0.404 4.356 3.960 -0.013 0.000 0.287 279 G C 0.630 175.561 174.900 0.052 0.000 1.159 279 G CA -0.547 44.617 45.100 0.107 0.000 0.929 279 G HN 0.831 nan 8.290 nan 0.000 0.435 280 L N 1.868 123.130 121.223 0.065 0.000 2.046 280 L HA -0.117 4.215 4.340 -0.013 0.000 0.208 280 L C 2.744 179.554 176.870 -0.101 0.000 1.077 280 L CA 1.226 56.058 54.840 -0.013 0.000 0.747 280 L CB -0.167 41.880 42.059 -0.019 0.000 0.896 280 L HN 0.449 nan 8.230 nan 0.000 0.432 281 E N -0.205 119.916 120.200 -0.131 0.000 2.047 281 E HA -0.229 4.113 4.350 -0.013 0.000 0.191 281 E C 2.139 178.712 176.600 -0.045 0.000 0.987 281 E CA 0.924 57.184 56.400 -0.233 0.000 0.799 281 E CB -0.139 29.476 29.700 -0.142 0.000 0.752 281 E HN 0.177 nan 8.360 nan 0.000 0.449 282 R N 0.337 120.800 120.500 -0.062 0.000 2.091 282 R HA -0.118 4.214 4.340 -0.013 0.000 0.238 282 R C 1.949 178.195 176.300 -0.090 0.000 1.136 282 R CA 1.048 57.101 56.100 -0.078 0.000 0.959 282 R CB -0.632 29.612 30.300 -0.094 0.000 0.856 282 R HN 0.194 nan 8.270 nan 0.000 0.437 283 L N 0.029 121.214 121.223 -0.063 0.000 2.072 283 L HA 0.153 4.485 4.340 -0.013 0.000 0.205 283 L C 2.178 178.992 176.870 -0.093 0.000 1.079 283 L CA 1.996 56.806 54.840 -0.049 0.000 0.752 283 L CB -0.971 41.073 42.059 -0.024 0.000 0.906 283 L HN 0.311 nan 8.230 nan 0.000 0.436 284 A N -0.812 121.974 122.820 -0.057 0.000 1.883 284 A HA -0.271 4.041 4.320 -0.013 0.000 0.217 284 A C 2.272 179.903 177.584 0.078 0.000 1.186 284 A CA 2.244 54.303 52.037 0.037 0.000 0.624 284 A CB -0.571 18.558 19.000 0.216 0.000 0.822 284 A HN 0.474 nan 8.150 nan 0.000 0.444 285 M N -0.833 118.815 119.600 0.080 0.000 2.279 285 M HA -0.079 4.393 4.480 -0.013 0.000 0.264 285 M C 1.875 178.021 176.300 -0.256 0.000 1.062 285 M CA 1.311 56.606 55.300 -0.008 0.000 1.099 285 M CB -0.423 32.179 32.600 0.003 0.000 1.394 285 M HN 0.425 nan 8.290 nan 0.000 0.426 286 I N -0.735 119.573 120.570 -0.437 0.000 2.494 286 I HA -0.185 3.977 4.170 -0.013 0.000 0.250 286 I C 2.249 178.165 176.117 -0.335 0.000 1.112 286 I CA 0.512 61.269 61.300 -0.905 0.000 1.438 286 I CB -0.253 37.266 38.000 -0.803 0.000 1.111 286 I HN 0.213 nan 8.210 nan 0.000 0.431 287 L N 0.110 121.203 121.223 -0.217 0.000 2.141 287 L HA -0.161 4.171 4.340 -0.013 0.000 0.209 287 L C 1.533 178.194 176.870 -0.349 0.000 1.094 287 L CA 2.075 56.666 54.840 -0.415 0.000 0.763 287 L CB -0.314 41.146 42.059 -0.998 0.000 0.908 287 L HN 0.194 nan 8.230 nan 0.000 0.437 288 Y N -1.533 118.783 120.300 0.028 0.000 2.500 288 Y HA 0.288 4.831 4.550 -0.012 0.000 0.246 288 Y C 0.549 176.540 175.900 0.151 0.000 1.146 288 Y CA -0.934 57.234 58.100 0.112 0.000 1.230 288 Y CB -0.121 38.421 38.460 0.137 0.000 1.214 288 Y HN 0.070 nan 8.280 nan 0.000 0.526 289 D N 1.412 121.963 120.400 0.251 0.000 2.737 289 D HA -0.216 4.416 4.640 -0.013 0.000 0.238 289 D C -0.544 175.907 176.300 0.251 0.000 1.157 289 D CA 0.552 54.757 54.000 0.342 0.000 0.694 289 D CB -0.955 40.122 40.800 0.462 0.000 1.021 289 D HN 0.338 nan 8.370 nan 0.000 0.420 290 I N 1.830 122.418 120.570 0.031 0.000 2.304 290 I HA 0.147 4.309 4.170 -0.013 0.000 0.291 290 I C -0.792 175.317 176.117 -0.013 0.000 1.018 290 I CA -1.771 59.434 61.300 -0.158 0.000 1.260 290 I CB 1.489 39.305 38.000 -0.307 0.000 1.390 290 I HN -0.043 nan 8.210 nan 0.000 0.475 291 P HA -0.063 nan 4.420 nan 0.000 0.220 291 P C 0.034 177.358 177.300 0.041 0.000 1.152 291 P CA 1.142 64.299 63.100 0.096 0.000 0.812 291 P CB 0.529 32.305 31.700 0.126 0.000 0.792 292 D N -0.819 119.558 120.400 -0.039 0.000 2.863 292 D HA 0.147 4.779 4.640 -0.013 0.000 0.245 292 D C 0.800 177.039 176.300 -0.101 0.000 1.211 292 D CA -0.727 53.254 54.000 -0.032 0.000 0.888 292 D CB 2.280 43.069 40.800 -0.020 0.000 1.483 292 D HN -0.206 nan 8.370 nan 0.000 0.533 293 I N 3.764 124.345 120.570 0.019 0.000 2.423 293 I HA -0.247 3.915 4.170 -0.013 0.000 0.254 293 I C 2.205 178.337 176.117 0.025 0.000 1.151 293 I CA 1.045 62.420 61.300 0.125 0.000 1.421 293 I CB 0.184 38.319 38.000 0.225 0.000 1.079 293 I HN 0.360 nan 8.210 nan 0.000 0.431 294 R N 0.193 120.656 120.500 -0.061 0.000 2.117 294 R HA -0.193 4.139 4.340 -0.013 0.000 0.243 294 R C 2.176 178.392 176.300 -0.141 0.000 1.143 294 R CA 1.397 57.442 56.100 -0.092 0.000 0.968 294 R CB -0.473 29.800 30.300 -0.045 0.000 0.863 294 R HN 0.407 nan 8.270 nan 0.000 0.444 295 L N -0.235 120.749 121.223 -0.398 0.000 2.263 295 L HA -0.209 4.123 4.340 -0.013 0.000 0.216 295 L C 1.761 178.085 176.870 -0.910 0.000 1.111 295 L CA 1.098 55.449 54.840 -0.816 0.000 0.773 295 L CB -0.374 40.976 42.059 -1.183 0.000 0.906 295 L HN 0.125 nan 8.230 nan 0.000 0.439 296 F N -1.910 117.832 119.950 -0.346 0.000 2.451 296 F HA -0.170 4.350 4.527 -0.013 0.000 0.299 296 F C 1.438 177.025 175.800 -0.356 0.000 1.101 296 F CA 1.016 58.818 58.000 -0.330 0.000 1.436 296 F CB -0.449 38.324 39.000 -0.378 0.000 1.074 296 F HN 0.118 nan 8.300 nan 0.000 0.553 297 W N -1.412 119.927 121.300 0.066 0.000 3.008 297 W HA 0.281 4.932 4.660 -0.014 0.000 0.355 297 W C 0.850 177.411 176.519 0.070 0.000 1.095 297 W CA -0.763 56.639 57.345 0.095 0.000 1.738 297 W CB -0.568 28.899 29.460 0.012 0.000 1.091 297 W HN -0.119 nan 8.180 nan 0.000 0.574 298 C N 0.462 119.865 119.300 0.172 0.000 2.534 298 C HA 0.407 4.859 4.460 -0.013 0.000 0.385 298 C C 1.046 176.151 174.990 0.192 0.000 1.264 298 C CA -0.273 58.832 59.018 0.146 0.000 2.342 298 C CB 1.015 28.780 27.740 0.041 0.000 2.564 298 C HN 0.452 nan 8.230 nan 0.000 0.603 299 E N -0.095 120.218 120.200 0.189 0.000 2.499 299 E HA 0.115 4.457 4.350 -0.013 0.000 0.199 299 E C -0.313 176.391 176.600 0.173 0.000 1.016 299 E CA -0.202 56.309 56.400 0.186 0.000 0.933 299 E CB -0.011 29.782 29.700 0.154 0.000 1.050 299 E HN 0.717 nan 8.360 nan 0.000 0.462 300 D N 1.884 122.395 120.400 0.186 0.000 2.472 300 D HA -0.074 4.558 4.640 -0.013 0.000 0.248 300 D C 0.884 177.303 176.300 0.199 0.000 1.174 300 D CA 0.307 54.414 54.000 0.177 0.000 0.883 300 D CB 0.871 41.782 40.800 0.185 0.000 1.149 300 D HN -0.024 nan 8.370 nan 0.000 0.488 301 E N 4.043 124.320 120.200 0.128 0.000 2.110 301 E HA -0.177 4.165 4.350 -0.013 0.000 0.193 301 E C 1.919 178.569 176.600 0.083 0.000 0.988 301 E CA 0.708 57.161 56.400 0.088 0.000 0.804 301 E CB -0.038 29.688 29.700 0.043 0.000 0.745 301 E HN 0.576 nan 8.360 nan 0.000 0.458 302 R N -0.572 119.989 120.500 0.102 0.000 2.154 302 R HA -0.192 4.141 4.340 -0.013 0.000 0.248 302 R C 2.167 178.543 176.300 0.127 0.000 1.155 302 R CA 1.643 57.792 56.100 0.081 0.000 0.979 302 R CB -0.359 30.000 30.300 0.097 0.000 0.869 302 R HN 0.182 nan 8.270 nan 0.000 0.452 303 F N 0.607 120.607 119.950 0.084 0.000 2.135 303 F HA 0.052 4.571 4.527 -0.014 0.000 0.280 303 F C 1.958 177.875 175.800 0.195 0.000 1.109 303 F CA 0.747 58.860 58.000 0.190 0.000 1.163 303 F CB -0.568 38.550 39.000 0.197 0.000 1.062 303 F HN -0.209 nan 8.300 nan 0.000 0.496 304 L N 1.415 122.662 121.223 0.041 0.000 2.021 304 L HA -0.334 3.999 4.340 -0.013 0.000 0.215 304 L C 2.654 179.478 176.870 -0.077 0.000 1.074 304 L CA 2.376 57.174 54.840 -0.071 0.000 0.760 304 L CB -1.176 40.933 42.059 0.083 0.000 0.889 304 L HN 0.307 nan 8.230 nan 0.000 0.433 305 K N 0.379 120.734 120.400 -0.075 0.000 2.089 305 K HA -0.282 4.030 4.320 -0.013 0.000 0.210 305 K C 1.771 178.248 176.600 -0.205 0.000 1.048 305 K CA 1.936 58.152 56.287 -0.118 0.000 0.926 305 K CB -0.533 31.910 32.500 -0.095 0.000 0.714 305 K HN 0.445 nan 8.250 nan 0.000 0.448 306 Q N -0.444 119.161 119.800 -0.323 0.000 2.508 306 Q HA -0.093 4.239 4.340 -0.013 0.000 0.214 306 Q C 0.762 176.320 176.000 -0.737 0.000 0.979 306 Q CA 0.964 56.448 55.803 -0.532 0.000 0.911 306 Q CB -0.088 28.255 28.738 -0.657 0.000 0.969 306 Q HN 0.436 nan 8.270 nan 0.000 0.504 307 F N -1.557 118.239 119.950 -0.257 0.000 2.682 307 F HA 0.154 4.673 4.527 -0.013 0.000 0.308 307 F C 0.602 176.344 175.800 -0.096 0.000 1.093 307 F CA -0.774 57.094 58.000 -0.219 0.000 1.244 307 F CB 0.506 39.321 39.000 -0.308 0.000 1.052 307 F HN -0.120 nan 8.300 nan 0.000 0.573 308 C N 3.373 122.628 119.300 -0.076 0.000 2.595 308 C HA 0.496 4.948 4.460 -0.013 0.000 0.374 308 C C 0.636 175.563 174.990 -0.105 0.000 1.250 308 C CA -0.870 57.996 59.018 -0.253 0.000 1.595 308 C CB -1.797 25.727 27.740 -0.361 0.000 2.257 308 C HN 0.180 nan 8.230 nan 0.000 0.568 309 V N 2.601 122.544 119.914 0.049 0.000 2.962 309 V HA 0.586 4.699 4.120 -0.013 0.000 0.313 309 V C 0.537 176.700 176.094 0.115 0.000 1.099 309 V CA -0.445 61.895 62.300 0.067 0.000 0.971 309 V CB 1.651 33.531 31.823 0.095 0.000 1.028 309 V HN 0.565 nan 8.190 nan 0.000 0.430 310 S N 1.810 117.554 115.700 0.073 0.000 2.356 310 S HA -0.054 4.408 4.470 -0.013 0.000 0.223 310 S C 0.798 175.465 174.600 0.110 0.000 1.032 310 S CA 1.717 59.965 58.200 0.081 0.000 1.005 310 S CB -0.476 62.753 63.200 0.048 0.000 0.867 310 S HN 1.047 nan 8.310 nan 0.000 0.449 311 N N 0.339 119.102 118.700 0.104 0.000 2.262 311 N HA 0.211 4.944 4.740 -0.013 0.000 0.295 311 N C 0.601 176.182 175.510 0.117 0.000 1.161 311 N CA -0.653 52.464 53.050 0.111 0.000 0.767 311 N CB 1.342 39.880 38.487 0.084 0.000 1.499 311 N HN 0.242 nan 8.380 nan 0.000 0.476 312 I N -2.029 118.609 120.570 0.113 0.000 2.700 312 I HA -0.110 4.052 4.170 -0.013 0.000 0.261 312 I C 0.306 176.462 176.117 0.065 0.000 1.219 312 I CA 1.022 62.377 61.300 0.092 0.000 1.463 312 I CB -0.355 37.653 38.000 0.014 0.000 1.092 312 I HN 0.308 nan 8.210 nan 0.000 0.452 313 N N 1.419 120.156 118.700 0.062 0.000 2.280 313 N HA -0.042 4.690 4.740 -0.013 0.000 0.192 313 N C 0.663 176.193 175.510 0.033 0.000 1.109 313 N CA 0.201 53.272 53.050 0.034 0.000 0.855 313 N CB 0.110 38.629 38.487 0.053 0.000 0.974 313 N HN 0.580 nan 8.380 nan 0.000 0.482 314 Q N 2.331 122.163 119.800 0.052 0.000 3.107 314 Q HA -0.009 4.323 4.340 -0.013 0.000 0.268 314 Q C -0.322 175.704 176.000 0.044 0.000 1.382 314 Q CA -0.051 55.778 55.803 0.043 0.000 0.927 314 Q CB -0.396 28.370 28.738 0.047 0.000 1.755 314 Q HN 0.034 nan 8.270 nan 0.000 0.545 315 K N 1.583 122.005 120.400 0.036 0.000 2.356 315 K HA -0.168 4.144 4.320 -0.013 0.000 0.252 315 K C -0.431 176.204 176.600 0.059 0.000 1.187 315 K CA 0.045 56.361 56.287 0.048 0.000 1.227 315 K CB -0.058 32.455 32.500 0.022 0.000 0.758 315 K HN 0.389 nan 8.250 nan 0.000 0.510 316 V N 4.409 124.384 119.914 0.102 0.000 2.732 316 V HA 0.177 4.289 4.120 -0.013 0.000 0.297 316 V C -0.512 175.616 176.094 0.056 0.000 1.060 316 V CA -0.282 62.030 62.300 0.019 0.000 1.038 316 V CB 0.986 32.745 31.823 -0.106 0.000 1.003 316 V HN 0.712 nan 8.190 nan 0.000 0.481 317 K N 7.011 127.397 120.400 -0.023 0.000 2.385 317 K HA 0.329 4.642 4.320 -0.013 0.000 0.229 317 K C -0.622 175.972 176.600 -0.011 0.000 1.089 317 K CA -0.133 56.163 56.287 0.014 0.000 1.060 317 K CB 0.354 32.839 32.500 -0.024 0.000 1.698 317 K HN 0.602 nan 8.250 nan 0.000 0.469 318 F N 2.665 122.583 119.950 -0.054 0.000 2.538 318 F HA -0.029 4.490 4.527 -0.013 0.000 0.382 318 F C 0.197 175.981 175.800 -0.026 0.000 1.069 318 F CA 0.332 58.272 58.000 -0.100 0.000 1.138 318 F CB 0.440 39.451 39.000 0.019 0.000 1.068 318 F HN 0.323 nan 8.300 nan 0.000 0.556 319 Q N 8.605 127.894 119.800 -0.852 0.000 2.406 319 Q HA 0.259 4.591 4.340 -0.013 0.000 0.242 319 Q C -2.179 173.330 176.000 -0.818 0.000 1.036 319 Q CA -1.924 53.506 55.803 -0.622 0.000 0.904 319 Q CB 0.879 29.386 28.738 -0.385 0.000 1.244 319 Q HN 0.441 nan 8.270 nan 0.000 0.478 320 P HA -0.071 nan 4.420 nan 0.000 0.265 320 P C -0.222 176.996 177.300 -0.136 0.000 1.187 320 P CA 0.016 63.022 63.100 -0.156 0.000 0.766 320 P CB 0.489 32.215 31.700 0.044 0.000 0.820 321 L N 1.372 122.586 121.223 -0.014 0.000 2.479 321 L HA 0.165 4.497 4.340 -0.013 0.000 0.248 321 L C 0.986 177.806 176.870 -0.084 0.000 1.205 321 L CA 0.441 55.271 54.840 -0.017 0.000 0.817 321 L CB -0.233 41.879 42.059 0.087 0.000 1.162 321 L HN 0.309 nan 8.230 nan 0.000 0.486 322 S N -0.348 115.246 115.700 -0.178 0.000 2.576 322 S HA 0.205 4.668 4.470 -0.013 0.000 0.276 322 S C -0.115 174.181 174.600 -0.507 0.000 1.339 322 S CA -0.505 57.498 58.200 -0.328 0.000 1.039 322 S CB 0.457 63.423 63.200 -0.391 0.000 0.902 322 S HN 0.391 nan 8.310 nan 0.000 0.516 323 K N 1.938 122.121 120.400 -0.362 0.000 2.211 323 K HA 0.316 4.628 4.320 -0.013 0.000 0.275 323 K C -1.411 174.996 176.600 -0.322 0.000 1.024 323 K CA -0.364 55.759 56.287 -0.274 0.000 0.887 323 K CB 0.357 32.806 32.500 -0.085 0.000 1.084 323 K HN 0.511 nan 8.250 nan 0.000 0.463 324 Y N 3.606 123.941 120.300 0.059 0.000 2.374 324 Y HA 0.310 4.852 4.550 -0.013 0.000 0.322 324 Y C -1.817 174.118 175.900 0.058 0.000 1.275 324 Y CA -2.430 55.705 58.100 0.057 0.000 1.307 324 Y CB 0.205 38.709 38.460 0.073 0.000 1.282 324 Y HN 0.593 nan 8.280 nan 0.000 0.509 325 P HA 0.284 nan 4.420 nan 0.000 0.274 325 P C -1.181 176.205 177.300 0.143 0.000 1.231 325 P CA -0.285 62.897 63.100 0.138 0.000 0.790 325 P CB 0.737 32.500 31.700 0.106 0.000 0.951 326 A N 1.852 124.742 122.820 0.116 0.000 2.311 326 A HA 0.650 4.962 4.320 -0.013 0.000 0.334 326 A C -0.824 176.826 177.584 0.111 0.000 1.139 326 A CA -0.595 51.520 52.037 0.129 0.000 0.830 326 A CB 0.899 19.970 19.000 0.117 0.000 1.234 326 A HN 0.333 nan 8.150 nan 0.000 0.483 327 V N 2.633 122.632 119.914 0.141 0.000 2.495 327 V HA 0.419 4.531 4.120 -0.013 0.000 0.298 327 V C -0.660 175.543 176.094 0.183 0.000 1.031 327 V CA -0.504 61.858 62.300 0.104 0.000 0.871 327 V CB 1.431 33.271 31.823 0.028 0.000 0.988 327 V HN 0.657 nan 8.190 nan 0.000 0.432 328 I N 4.244 124.884 120.570 0.117 0.000 2.404 328 I HA 0.554 4.716 4.170 -0.013 0.000 0.293 328 I C -0.489 175.673 176.117 0.076 0.000 0.992 328 I CA -0.544 60.833 61.300 0.128 0.000 1.149 328 I CB 1.741 39.791 38.000 0.083 0.000 1.315 328 I HN 0.570 nan 8.210 nan 0.000 0.446 329 N N 4.435 123.192 118.700 0.095 0.000 2.371 329 N HA 0.315 5.047 4.740 -0.013 0.000 0.291 329 N C -0.994 174.583 175.510 0.112 0.000 1.053 329 N CA -0.594 52.419 53.050 -0.060 0.000 0.870 329 N CB 2.195 40.295 38.487 -0.645 0.000 1.503 329 N HN 0.413 nan 8.380 nan 0.000 0.485 330 D N 1.194 121.676 120.400 0.137 0.000 2.358 330 D HA 0.411 5.043 4.640 -0.013 0.000 0.244 330 D C 0.143 176.658 176.300 0.358 0.000 1.163 330 D CA 0.097 54.225 54.000 0.214 0.000 0.945 330 D CB 1.603 42.480 40.800 0.128 0.000 1.152 330 D HN 0.431 nan 8.370 nan 0.000 0.451 331 I N -0.277 120.490 120.570 0.329 0.000 2.611 331 I HA 0.203 4.365 4.170 -0.013 0.000 0.287 331 I C -1.431 174.735 176.117 0.082 0.000 1.184 331 I CA -0.105 61.401 61.300 0.344 0.000 1.054 331 I CB 0.971 39.249 38.000 0.464 0.000 1.257 331 I HN 0.146 nan 8.210 nan 0.000 0.435 332 S N 6.719 122.418 115.700 -0.002 0.000 2.607 332 S HA 0.953 5.415 4.470 -0.013 0.000 0.303 332 S C -1.025 173.372 174.600 -0.339 0.000 1.086 332 S CA -0.469 57.520 58.200 -0.352 0.000 0.995 332 S CB 1.836 64.878 63.200 -0.264 0.000 1.084 332 S HN 0.589 nan 8.310 nan 0.000 0.507 333 F N -2.387 117.352 119.950 -0.351 0.000 2.842 333 F HA 0.583 5.102 4.527 -0.013 0.000 0.319 333 F C -2.490 173.001 175.800 -0.514 0.000 1.159 333 F CA -2.114 55.635 58.000 -0.419 0.000 0.902 333 F CB 0.333 39.178 39.000 -0.259 0.000 1.311 333 F HN 0.545 nan 8.300 nan 0.000 0.453 334 W N 2.424 123.763 121.300 0.065 0.000 2.361 334 W HA 0.688 5.340 4.660 -0.013 0.000 0.309 334 W C -0.763 175.687 176.519 -0.114 0.000 1.122 334 W CA -0.755 56.529 57.345 -0.102 0.000 1.208 334 W CB 1.353 30.729 29.460 -0.140 0.000 1.246 334 W HN 0.295 nan 8.180 nan 0.000 0.490 335 L N 6.138 127.340 121.223 -0.035 0.000 2.456 335 L HA 0.191 4.523 4.340 -0.013 0.000 0.272 335 L C -1.533 175.293 176.870 -0.073 0.000 1.189 335 L CA -1.465 53.234 54.840 -0.235 0.000 0.846 335 L CB -0.519 41.259 42.059 -0.468 0.000 1.111 335 L HN 0.167 nan 8.230 nan 0.000 0.475 336 P HA -0.003 nan 4.420 nan 0.000 0.270 336 P C -0.641 176.652 177.300 -0.011 0.000 1.216 336 P CA -0.113 62.980 63.100 -0.012 0.000 0.788 336 P CB 0.257 31.970 31.700 0.021 0.000 0.883 337 S N 1.322 117.014 115.700 -0.013 0.000 2.962 337 S HA 0.055 4.517 4.470 -0.013 0.000 0.320 337 S C -0.017 174.585 174.600 0.004 0.000 1.186 337 S CA -0.029 58.166 58.200 -0.008 0.000 1.180 337 S CB -1.282 61.910 63.200 -0.013 0.000 1.491 337 S HN 0.476 nan 8.310 nan 0.000 0.556 338 E N 0.852 121.059 120.200 0.011 0.000 2.287 338 E HA -0.202 4.140 4.350 -0.013 0.000 0.229 338 E C -1.107 175.513 176.600 0.033 0.000 1.194 338 E CA 0.138 56.551 56.400 0.021 0.000 0.704 338 E CB -1.689 28.017 29.700 0.011 0.000 1.216 338 E HN 0.698 nan 8.360 nan 0.000 0.381 339 N N 1.167 119.903 118.700 0.060 0.000 2.701 339 N HA 0.510 5.242 4.740 -0.013 0.000 0.258 339 N C -1.682 173.928 175.510 0.166 0.000 1.262 339 N CA -0.497 52.595 53.050 0.070 0.000 0.780 339 N CB 0.967 39.478 38.487 0.040 0.000 1.380 339 N HN 0.305 nan 8.380 nan 0.000 0.548 340 Y N 0.882 121.166 120.300 -0.027 0.000 2.575 340 Y HA 0.542 5.085 4.550 -0.013 0.000 0.346 340 Y C -2.020 173.876 175.900 -0.007 0.000 1.260 340 Y CA -0.996 57.089 58.100 -0.025 0.000 1.317 340 Y CB 0.721 39.153 38.460 -0.046 0.000 1.352 340 Y HN 0.452 nan 8.280 nan 0.000 0.492 341 A N 4.445 126.853 122.820 -0.688 0.000 2.427 341 A HA 0.484 4.797 4.320 -0.013 0.000 0.298 341 A C 0.401 177.543 177.584 -0.737 0.000 1.036 341 A CA -0.128 51.650 52.037 -0.431 0.000 0.701 341 A CB 1.634 20.493 19.000 -0.235 0.000 1.250 341 A HN 0.976 nan 8.150 nan 0.000 0.412 342 E N 1.746 121.811 120.200 -0.226 0.000 2.097 342 E HA -0.251 4.091 4.350 -0.013 0.000 0.196 342 E C 1.060 177.390 176.600 -0.449 0.000 1.000 342 E CA 1.950 58.294 56.400 -0.094 0.000 0.804 342 E CB 0.023 29.848 29.700 0.208 0.000 0.740 342 E HN 0.730 nan 8.360 nan 0.000 0.454 343 N N 0.924 119.536 118.700 -0.146 0.000 2.381 343 N HA -0.124 4.608 4.740 -0.013 0.000 0.182 343 N C 1.068 176.510 175.510 -0.113 0.000 1.025 343 N CA 1.010 54.072 53.050 0.020 0.000 0.888 343 N CB -0.239 38.296 38.487 0.081 0.000 0.965 343 N HN 0.234 nan 8.380 nan 0.000 0.438 344 D N -0.087 120.173 120.400 -0.233 0.000 2.149 344 D HA -0.147 4.485 4.640 -0.013 0.000 0.198 344 D C 1.601 177.818 176.300 -0.139 0.000 0.990 344 D CA 0.619 54.500 54.000 -0.198 0.000 0.839 344 D CB -0.343 40.271 40.800 -0.309 0.000 0.948 344 D HN 0.243 nan 8.370 nan 0.000 0.460 345 F N 0.428 120.141 119.950 -0.394 0.000 2.187 345 F HA -0.148 4.371 4.527 -0.013 0.000 0.295 345 F C 1.785 177.447 175.800 -0.231 0.000 1.091 345 F CA 0.902 58.714 58.000 -0.313 0.000 1.308 345 F CB -0.511 38.279 39.000 -0.350 0.000 1.030 345 F HN -0.107 nan 8.300 nan 0.000 0.487 346 Y N 0.651 120.795 120.300 -0.259 0.000 2.274 346 Y HA -0.192 4.350 4.550 -0.013 0.000 0.290 346 Y C 2.416 178.164 175.900 -0.254 0.000 1.145 346 Y CA 1.148 59.053 58.100 -0.325 0.000 1.203 346 Y CB -1.375 36.997 38.460 -0.147 0.000 0.984 346 Y HN 0.089 nan 8.280 nan 0.000 0.533 347 D N -0.348 120.035 120.400 -0.027 0.000 2.117 347 D HA -0.136 4.496 4.640 -0.013 0.000 0.197 347 D C 2.219 178.471 176.300 -0.080 0.000 0.987 347 D CA 0.832 54.819 54.000 -0.022 0.000 0.829 347 D CB -0.317 40.497 40.800 0.023 0.000 0.961 347 D HN 0.219 nan 8.370 nan 0.000 0.460 348 L N 0.552 121.699 121.223 -0.127 0.000 2.141 348 L HA -0.105 4.227 4.340 -0.013 0.000 0.209 348 L C 2.163 178.935 176.870 -0.162 0.000 1.094 348 L CA 1.131 55.904 54.840 -0.112 0.000 0.763 348 L CB -0.331 41.690 42.059 -0.064 0.000 0.908 348 L HN -0.121 nan 8.230 nan 0.000 0.437 349 V N -0.599 119.129 119.914 -0.311 0.000 2.667 349 V HA -0.143 3.969 4.120 -0.013 0.000 0.252 349 V C 2.662 178.674 176.094 -0.137 0.000 1.065 349 V CA 1.056 63.196 62.300 -0.266 0.000 1.083 349 V CB -0.784 30.788 31.823 -0.420 0.000 0.692 349 V HN 0.378 nan 8.190 nan 0.000 0.468 350 R N 0.046 120.472 120.500 -0.124 0.000 2.075 350 R HA -0.036 4.296 4.340 -0.013 0.000 0.226 350 R C 2.403 178.662 176.300 -0.070 0.000 1.114 350 R CA 1.601 57.639 56.100 -0.103 0.000 0.972 350 R CB -1.163 29.059 30.300 -0.130 0.000 0.869 350 R HN 0.474 nan 8.270 nan 0.000 0.437 351 T N 2.416 116.934 114.554 -0.060 0.000 2.622 351 T HA -0.091 4.251 4.350 -0.013 0.000 0.266 351 T C 1.956 176.653 174.700 -0.006 0.000 1.047 351 T CA 1.333 63.413 62.100 -0.033 0.000 1.159 351 T CB -0.085 68.767 68.868 -0.027 0.000 0.863 351 T HN -0.002 nan 8.240 nan 0.000 0.422 352 I N 1.105 121.675 120.570 0.001 0.000 2.162 352 I HA 0.036 4.198 4.170 -0.013 0.000 0.238 352 I C 2.929 179.090 176.117 0.072 0.000 1.076 352 I CA 1.502 62.826 61.300 0.040 0.000 1.353 352 I CB -1.867 36.165 38.000 0.053 0.000 1.063 352 I HN 0.343 nan 8.210 nan 0.000 0.408 353 G N -0.444 108.401 108.800 0.074 0.000 2.511 353 G HA2 0.240 4.192 3.960 -0.013 0.000 0.217 353 G HA3 0.240 4.192 3.960 -0.013 0.000 0.217 353 G C 1.210 176.162 174.900 0.088 0.000 1.133 353 G CA 0.748 45.927 45.100 0.131 0.000 0.792 353 G HN 0.637 nan 8.290 nan 0.000 0.539 354 G N 0.744 109.565 108.800 0.035 0.000 2.596 354 G HA2 -0.343 3.609 3.960 -0.013 0.000 0.295 354 G HA3 -0.343 3.609 3.960 -0.013 0.000 0.295 354 G C 0.554 175.475 174.900 0.035 0.000 1.240 354 G CA 0.529 45.647 45.100 0.030 0.000 0.985 354 G HN 0.223 nan 8.290 nan 0.000 0.555 355 D N 0.380 120.808 120.400 0.047 0.000 2.340 355 D HA 0.228 4.860 4.640 -0.013 0.000 0.220 355 D C 2.394 178.662 176.300 -0.053 0.000 1.039 355 D CA 0.012 54.025 54.000 0.021 0.000 0.866 355 D CB 0.203 41.011 40.800 0.014 0.000 0.913 355 D HN 0.202 nan 8.370 nan 0.000 0.523 356 L N 0.054 121.294 121.223 0.028 0.000 2.275 356 L HA -0.029 4.304 4.340 -0.013 0.000 0.215 356 L C 0.610 177.540 176.870 0.100 0.000 1.119 356 L CA 0.740 55.641 54.840 0.101 0.000 0.790 356 L CB 0.067 42.283 42.059 0.262 0.000 0.919 356 L HN -0.183 nan 8.230 nan 0.000 0.443 357 V N -0.452 119.473 119.914 0.019 0.000 2.465 357 V HA 0.070 4.182 4.120 -0.013 0.000 0.279 357 V C 1.207 177.274 176.094 -0.046 0.000 1.045 357 V CA -0.229 62.015 62.300 -0.093 0.000 0.938 357 V CB 1.546 33.273 31.823 -0.160 0.000 0.986 357 V HN 0.292 nan 8.190 nan 0.000 0.467 358 E N 4.433 124.607 120.200 -0.044 0.000 2.162 358 E HA 0.114 4.456 4.350 -0.013 0.000 0.193 358 E C 0.425 177.022 176.600 -0.004 0.000 0.953 358 E CA 0.346 56.747 56.400 0.003 0.000 0.849 358 E CB 0.481 30.200 29.700 0.032 0.000 0.810 358 E HN 0.776 nan 8.360 nan 0.000 0.470 359 K N -0.774 119.605 120.400 -0.034 0.000 2.568 359 K HA 0.494 4.806 4.320 -0.013 0.000 0.273 359 K C -1.551 175.029 176.600 -0.034 0.000 0.951 359 K CA -0.962 55.307 56.287 -0.031 0.000 0.854 359 K CB 2.281 34.782 32.500 0.001 0.000 1.424 359 K HN -0.110 nan 8.250 nan 0.000 0.427 360 V N 1.741 121.639 119.914 -0.027 0.000 2.483 360 V HA 0.326 4.438 4.120 -0.013 0.000 0.297 360 V C -1.264 174.915 176.094 0.142 0.000 1.027 360 V CA -0.644 61.704 62.300 0.080 0.000 0.855 360 V CB 1.652 33.538 31.823 0.105 0.000 0.995 360 V HN 0.765 nan 8.190 nan 0.000 0.424 361 D N 3.245 123.773 120.400 0.213 0.000 2.256 361 D HA 0.405 5.038 4.640 -0.013 0.000 0.246 361 D C -0.465 176.009 176.300 0.290 0.000 1.042 361 D CA -0.426 53.689 54.000 0.191 0.000 0.841 361 D CB 2.482 43.345 40.800 0.104 0.000 1.223 361 D HN 0.377 nan 8.370 nan 0.000 0.470 362 L N 4.299 125.662 121.223 0.234 0.000 2.356 362 L HA 0.224 4.557 4.340 -0.013 0.000 0.282 362 L C 1.112 177.907 176.870 -0.124 0.000 1.132 362 L CA 0.077 54.896 54.840 -0.035 0.000 0.923 362 L CB -0.521 41.491 42.059 -0.078 0.000 1.278 362 L HN 0.453 nan 8.230 nan 0.000 0.436 363 I N -0.255 120.238 120.570 -0.128 0.000 2.333 363 I HA 0.179 4.341 4.170 -0.013 0.000 0.246 363 I C 0.077 176.111 176.117 -0.139 0.000 1.106 363 I CA 0.568 61.812 61.300 -0.093 0.000 1.411 363 I CB 0.024 37.999 38.000 -0.042 0.000 1.082 363 I HN 0.464 nan 8.210 nan 0.000 0.420 364 D N 1.320 121.587 120.400 -0.222 0.000 2.738 364 D HA 0.485 5.117 4.640 -0.013 0.000 0.237 364 D C -1.339 174.804 176.300 -0.261 0.000 1.123 364 D CA -0.633 53.265 54.000 -0.170 0.000 0.856 364 D CB 1.938 42.691 40.800 -0.078 0.000 1.552 364 D HN 0.434 nan 8.370 nan 0.000 0.480 365 K N 1.145 121.471 120.400 -0.123 0.000 2.498 365 K HA 0.748 5.060 4.320 -0.013 0.000 0.254 365 K C -1.313 175.366 176.600 0.132 0.000 0.933 365 K CA -1.013 55.218 56.287 -0.094 0.000 0.806 365 K CB 1.890 34.293 32.500 -0.163 0.000 1.301 365 K HN 0.364 nan 8.250 nan 0.000 0.432 366 F N -1.620 118.311 119.950 -0.032 0.000 2.725 366 F HA 0.498 5.017 4.527 -0.013 0.000 0.309 366 F C -2.073 173.782 175.800 0.093 0.000 1.132 366 F CA -1.247 56.761 58.000 0.014 0.000 0.957 366 F CB 0.874 39.870 39.000 -0.007 0.000 1.286 366 F HN 0.183 nan 8.300 nan 0.000 0.440 367 V N 2.106 122.170 119.914 0.251 0.000 2.439 367 V HA 0.284 4.396 4.120 -0.013 0.000 0.282 367 V C -0.553 175.769 176.094 0.380 0.000 1.039 367 V CA -0.442 61.982 62.300 0.207 0.000 0.913 367 V CB 1.063 32.983 31.823 0.162 0.000 0.983 367 V HN 0.928 nan 8.190 nan 0.000 0.460 368 H N 7.926 127.170 119.070 0.291 0.000 2.668 368 H HA 0.285 4.833 4.556 -0.013 0.000 0.303 368 H C -1.504 173.923 175.328 0.166 0.000 1.074 368 H CA -1.417 54.818 56.048 0.312 0.000 1.406 368 H CB 1.712 31.608 29.762 0.223 0.000 1.442 368 H HN 0.381 nan 8.280 nan 0.000 0.482 369 P HA -0.212 nan 4.420 nan 0.000 0.214 369 P C 0.845 178.182 177.300 0.061 0.000 1.163 369 P CA 1.583 64.695 63.100 0.021 0.000 0.883 369 P CB 0.402 32.058 31.700 -0.074 0.000 0.788 370 K N -0.994 119.448 120.400 0.070 0.000 2.063 370 K HA -0.113 4.199 4.320 -0.013 0.000 0.208 370 K C 2.313 178.820 176.600 -0.155 0.000 1.048 370 K CA 2.031 58.344 56.287 0.043 0.000 0.928 370 K CB -0.700 31.887 32.500 0.145 0.000 0.713 370 K HN 0.186 nan 8.250 nan 0.000 0.442 371 T N -1.554 112.939 114.554 -0.102 0.000 2.990 371 T HA 0.002 4.345 4.350 -0.013 0.000 0.250 371 T C -0.095 174.383 174.700 -0.370 0.000 1.041 371 T CA -0.004 61.883 62.100 -0.354 0.000 1.010 371 T CB 0.083 68.695 68.868 -0.426 0.000 1.003 371 T HN 0.288 nan 8.240 nan 0.000 0.499 372 H N -0.107 118.962 119.070 -0.002 0.000 3.641 372 H HA -0.097 4.451 4.556 -0.013 0.000 0.193 372 H C 0.151 175.470 175.328 -0.016 0.000 1.013 372 H CA 0.852 56.901 56.048 0.002 0.000 1.212 372 H CB -1.996 27.756 29.762 -0.016 0.000 1.089 372 H HN 0.486 nan 8.280 nan 0.000 0.339 373 K N 1.471 121.866 120.400 -0.008 0.000 2.202 373 K HA 0.384 4.696 4.320 -0.013 0.000 0.264 373 K C 0.547 177.278 176.600 0.218 0.000 1.010 373 K CA 0.165 56.443 56.287 -0.015 0.000 0.940 373 K CB 0.860 33.151 32.500 -0.350 0.000 0.983 373 K HN 0.010 nan 8.250 nan 0.000 0.475 374 T N 0.610 115.270 114.554 0.177 0.000 2.902 374 T HA 0.209 4.552 4.350 -0.013 0.000 0.283 374 T C -0.396 174.242 174.700 -0.104 0.000 1.009 374 T CA -0.655 61.462 62.100 0.029 0.000 1.051 374 T CB 1.418 70.235 68.868 -0.084 0.000 0.999 374 T HN 0.499 nan 8.240 nan 0.000 0.474 375 S N 1.934 117.329 115.700 -0.507 0.000 2.552 375 S HA 0.489 4.951 4.470 -0.013 0.000 0.314 375 S C -1.393 172.910 174.600 -0.495 0.000 1.099 375 S CA -0.748 56.932 58.200 -0.866 0.000 1.070 375 S CB 0.298 62.493 63.200 -1.675 0.000 0.998 375 S HN 0.657 nan 8.310 nan 0.000 0.474 376 H N 2.046 120.653 119.070 -0.773 0.000 2.457 376 H HA 0.591 5.139 4.556 -0.013 0.000 0.335 376 H C -0.458 174.306 175.328 -0.939 0.000 1.115 376 H CA -0.824 54.717 56.048 -0.844 0.000 1.219 376 H CB 1.475 30.706 29.762 -0.885 0.000 1.471 376 H HN 0.716 nan 8.280 nan 0.000 0.491 377 C N 6.020 124.894 119.300 -0.709 0.000 2.364 377 C HA 0.605 5.058 4.460 -0.013 0.000 0.324 377 C C -1.309 173.381 174.990 -0.499 0.000 1.234 377 C CA -0.535 58.189 59.018 -0.491 0.000 1.417 377 C CB -1.380 26.209 27.740 -0.252 0.000 2.101 377 C HN 0.732 nan 8.230 nan 0.000 0.466 378 Y N 3.340 123.574 120.300 -0.110 0.000 2.409 378 Y HA 0.637 5.179 4.550 -0.013 0.000 0.339 378 Y C 0.370 176.349 175.900 0.131 0.000 1.033 378 Y CA -0.595 57.547 58.100 0.071 0.000 1.094 378 Y CB 1.084 39.700 38.460 0.258 0.000 1.210 378 Y HN 0.655 nan 8.280 nan 0.000 0.456 379 R N 3.142 123.809 120.500 0.279 0.000 2.338 379 R HA 0.637 4.969 4.340 -0.013 0.000 0.317 379 R C -1.667 174.751 176.300 0.198 0.000 0.968 379 R CA -0.279 55.942 56.100 0.201 0.000 0.849 379 R CB 0.446 30.820 30.300 0.123 0.000 1.128 379 R HN 0.758 nan 8.270 nan 0.000 0.448 380 I N 3.801 124.476 120.570 0.176 0.000 2.362 380 I HA 0.234 4.396 4.170 -0.013 0.000 0.289 380 I C -0.333 175.758 176.117 -0.042 0.000 0.994 380 I CA -0.637 60.679 61.300 0.026 0.000 1.158 380 I CB 2.238 40.225 38.000 -0.021 0.000 1.315 380 I HN 0.581 nan 8.210 nan 0.000 0.451 381 T N 5.841 120.343 114.554 -0.086 0.000 2.753 381 T HA 0.380 4.722 4.350 -0.013 0.000 0.297 381 T C -0.591 174.066 174.700 -0.073 0.000 0.981 381 T CA -0.271 61.828 62.100 -0.003 0.000 0.956 381 T CB -0.088 68.797 68.868 0.028 0.000 0.936 381 T HN 0.159 nan 8.240 nan 0.000 0.463 382 Y N 2.942 123.282 120.300 0.068 0.000 2.350 382 Y HA 0.522 5.064 4.550 -0.013 0.000 0.340 382 Y C 0.904 176.851 175.900 0.078 0.000 1.006 382 Y CA -0.715 57.428 58.100 0.072 0.000 1.166 382 Y CB 0.825 39.327 38.460 0.069 0.000 1.168 382 Y HN 0.399 nan 8.280 nan 0.000 0.502 383 R N 2.852 123.472 120.500 0.201 0.000 2.542 383 R HA 0.180 4.513 4.340 -0.013 0.000 0.284 383 R C -1.825 174.578 176.300 0.171 0.000 1.167 383 R CA -0.620 55.592 56.100 0.187 0.000 1.000 383 R CB 0.903 31.293 30.300 0.149 0.000 1.229 383 R HN 0.735 nan 8.270 nan 0.000 0.416 384 H N 5.662 124.807 119.070 0.126 0.000 2.548 384 H HA 0.145 4.693 4.556 -0.013 0.000 0.331 384 H C 0.976 176.387 175.328 0.138 0.000 1.093 384 H CA -0.010 56.092 56.048 0.090 0.000 1.367 384 H CB 1.356 31.123 29.762 0.009 0.000 1.455 384 H HN 0.586 nan 8.280 nan 0.000 0.519 385 M N 3.280 122.932 119.600 0.086 0.000 2.296 385 M HA -0.095 4.377 4.480 -0.013 0.000 0.265 385 M C 0.972 177.528 176.300 0.426 0.000 1.064 385 M CA 1.454 56.884 55.300 0.216 0.000 1.109 385 M CB -0.469 32.155 32.600 0.039 0.000 1.396 385 M HN 0.648 nan 8.290 nan 0.000 0.430 386 E N 0.088 120.580 120.200 0.487 0.000 2.526 386 E HA 0.142 4.485 4.350 -0.013 0.000 0.208 386 E C 0.247 176.601 176.600 -0.410 0.000 0.997 386 E CA -0.127 56.398 56.400 0.207 0.000 0.961 386 E CB 0.652 30.447 29.700 0.158 0.000 1.030 386 E HN 0.414 nan 8.360 nan 0.000 0.483 387 R N -1.584 118.326 120.500 -0.984 0.000 2.780 387 R HA 0.275 4.607 4.340 -0.013 0.000 0.280 387 R C -1.297 174.479 176.300 -0.872 0.000 1.016 387 R CA -0.824 54.472 56.100 -1.339 0.000 0.854 387 R CB 0.282 30.213 30.300 -0.615 0.000 1.293 387 R HN -0.220 nan 8.270 nan 0.000 0.483 388 T N 2.082 116.349 114.554 -0.477 0.000 2.851 388 T HA 0.306 4.648 4.350 -0.013 0.000 0.298 388 T C 0.251 174.894 174.700 -0.095 0.000 0.977 388 T CA -0.280 61.757 62.100 -0.106 0.000 1.126 388 T CB 0.333 69.201 68.868 -0.001 0.000 0.916 388 T HN 0.229 nan 8.240 nan 0.000 0.529 389 L N 3.294 124.511 121.223 -0.011 0.000 2.312 389 L HA 0.360 4.692 4.340 -0.013 0.000 0.281 389 L C 1.035 177.889 176.870 -0.026 0.000 1.070 389 L CA -0.672 54.161 54.840 -0.010 0.000 0.805 389 L CB 1.124 43.215 42.059 0.053 0.000 1.174 389 L HN 0.735 nan 8.230 nan 0.000 0.434 390 S N 1.981 117.651 115.700 -0.050 0.000 2.592 390 S HA 0.141 4.603 4.470 -0.013 0.000 0.271 390 S C 0.761 175.308 174.600 -0.087 0.000 1.326 390 S CA -0.761 57.404 58.200 -0.059 0.000 1.024 390 S CB 1.479 64.642 63.200 -0.062 0.000 0.921 390 S HN 0.600 nan 8.310 nan 0.000 0.527 391 Q N 1.285 121.033 119.800 -0.086 0.000 2.096 391 Q HA -0.177 4.155 4.340 -0.013 0.000 0.204 391 Q C 2.203 178.093 176.000 -0.183 0.000 0.982 391 Q CA 1.803 57.535 55.803 -0.117 0.000 0.850 391 Q CB -0.522 28.163 28.738 -0.089 0.000 0.901 391 Q HN 0.867 nan 8.270 nan 0.000 0.422 392 R N 1.477 121.865 120.500 -0.187 0.000 2.082 392 R HA -0.192 4.140 4.340 -0.013 0.000 0.234 392 R C 2.175 178.207 176.300 -0.447 0.000 1.136 392 R CA 2.173 58.086 56.100 -0.312 0.000 0.935 392 R CB -0.334 29.853 30.300 -0.188 0.000 0.842 392 R HN 0.522 nan 8.270 nan 0.000 0.430 393 E N -0.503 119.556 120.200 -0.235 0.000 2.110 393 E HA -0.147 4.195 4.350 -0.013 0.000 0.193 393 E C 1.770 178.270 176.600 -0.168 0.000 0.988 393 E CA 1.587 57.900 56.400 -0.144 0.000 0.804 393 E CB -0.332 29.341 29.700 -0.044 0.000 0.745 393 E HN 0.236 nan 8.360 nan 0.000 0.458 394 V N 1.449 121.220 119.914 -0.238 0.000 2.427 394 V HA -0.234 3.878 4.120 -0.013 0.000 0.248 394 V C 2.707 178.606 176.094 -0.325 0.000 1.051 394 V CA 2.074 64.135 62.300 -0.399 0.000 1.048 394 V CB -0.805 30.721 31.823 -0.494 0.000 0.666 394 V HN 0.296 nan 8.190 nan 0.000 0.456 395 R N -0.445 119.892 120.500 -0.273 0.000 2.083 395 R HA -0.197 4.135 4.340 -0.013 0.000 0.237 395 R C 2.341 178.625 176.300 -0.026 0.000 1.137 395 R CA 2.233 58.231 56.100 -0.170 0.000 0.951 395 R CB -0.380 29.774 30.300 -0.242 0.000 0.851 395 R HN 0.676 nan 8.270 nan 0.000 0.434 396 H N -0.254 118.802 119.070 -0.023 0.000 2.293 396 H HA -0.113 4.435 4.556 -0.013 0.000 0.300 396 H C 2.205 177.546 175.328 0.022 0.000 1.082 396 H CA 1.209 57.257 56.048 0.000 0.000 1.308 396 H CB 0.070 29.830 29.762 -0.003 0.000 1.375 396 H HN 0.155 nan 8.280 nan 0.000 0.495 397 I N 0.638 121.290 120.570 0.136 0.000 2.151 397 I HA -0.302 3.860 4.170 -0.013 0.000 0.243 397 I C 2.361 178.578 176.117 0.167 0.000 1.080 397 I CA 1.716 63.094 61.300 0.130 0.000 1.339 397 I CB -1.075 36.992 38.000 0.111 0.000 1.039 397 I HN 0.378 nan 8.210 nan 0.000 0.409 398 H N 1.083 120.175 119.070 0.037 0.000 2.353 398 H HA -0.168 4.380 4.556 -0.013 0.000 0.300 398 H C 2.296 177.697 175.328 0.123 0.000 1.090 398 H CA 1.887 58.009 56.048 0.124 0.000 1.327 398 H CB 0.075 29.861 29.762 0.041 0.000 1.383 398 H HN 0.383 nan 8.280 nan 0.000 0.508 399 Q N -0.624 119.231 119.800 0.092 0.000 2.167 399 Q HA -0.040 4.292 4.340 -0.013 0.000 0.202 399 Q C 2.512 178.534 176.000 0.036 0.000 0.970 399 Q CA 1.019 56.834 55.803 0.021 0.000 0.855 399 Q CB 0.011 28.773 28.738 0.039 0.000 0.911 399 Q HN 0.567 nan 8.270 nan 0.000 0.438 400 A N 0.901 123.759 122.820 0.064 0.000 1.902 400 A HA -0.176 4.137 4.320 -0.013 0.000 0.217 400 A C 2.046 179.669 177.584 0.064 0.000 1.181 400 A CA 1.118 53.193 52.037 0.063 0.000 0.623 400 A CB -0.624 18.419 19.000 0.071 0.000 0.818 400 A HN 0.352 nan 8.150 nan 0.000 0.443 401 L N -0.039 121.224 121.223 0.067 0.000 2.012 401 L HA -0.240 4.092 4.340 -0.013 0.000 0.210 401 L C 2.502 179.430 176.870 0.098 0.000 1.073 401 L CA 2.432 57.319 54.840 0.079 0.000 0.748 401 L CB -0.830 41.281 42.059 0.086 0.000 0.891 401 L HN 0.526 nan 8.230 nan 0.000 0.431 402 Q N -0.505 119.335 119.800 0.066 0.000 2.014 402 Q HA -0.292 4.040 4.340 -0.013 0.000 0.207 402 Q C 2.135 178.254 176.000 0.199 0.000 0.993 402 Q CA 2.422 58.343 55.803 0.195 0.000 0.850 402 Q CB -0.302 28.556 28.738 0.202 0.000 0.916 402 Q HN 0.625 nan 8.270 nan 0.000 0.417 403 E N 0.372 120.659 120.200 0.145 0.000 2.033 403 E HA -0.256 4.087 4.350 -0.013 0.000 0.199 403 E C 1.975 178.614 176.600 0.065 0.000 1.011 403 E CA 1.204 57.670 56.400 0.110 0.000 0.815 403 E CB -0.265 29.483 29.700 0.080 0.000 0.755 403 E HN 0.406 nan 8.360 nan 0.000 0.451 404 A N 1.342 124.196 122.820 0.057 0.000 1.917 404 A HA -0.233 4.079 4.320 -0.013 0.000 0.219 404 A C 2.406 180.001 177.584 0.018 0.000 1.182 404 A CA 2.026 54.085 52.037 0.037 0.000 0.633 404 A CB -0.925 18.100 19.000 0.041 0.000 0.819 404 A HN 0.330 nan 8.150 nan 0.000 0.448 405 A N -0.662 122.171 122.820 0.021 0.000 1.892 405 A HA -0.080 4.232 4.320 -0.013 0.000 0.218 405 A C 2.280 179.776 177.584 -0.147 0.000 1.188 405 A CA 2.150 54.146 52.037 -0.069 0.000 0.631 405 A CB -1.022 17.900 19.000 -0.129 0.000 0.822 405 A HN 0.450 nan 8.150 nan 0.000 0.447 406 V N -0.198 119.659 119.914 -0.095 0.000 2.255 406 V HA -0.239 3.873 4.120 -0.013 0.000 0.243 406 V C 2.743 178.809 176.094 -0.047 0.000 1.038 406 V CA 1.934 64.182 62.300 -0.086 0.000 1.008 406 V CB -0.879 30.922 31.823 -0.037 0.000 0.645 406 V HN 0.550 nan 8.190 nan 0.000 0.449 407 Q N -0.109 119.682 119.800 -0.015 0.000 2.045 407 Q HA -0.187 4.145 4.340 -0.013 0.000 0.206 407 Q C 2.234 178.226 176.000 -0.012 0.000 0.991 407 Q CA 1.930 57.729 55.803 -0.007 0.000 0.851 407 Q CB -0.452 28.289 28.738 0.006 0.000 0.911 407 Q HN 0.563 nan 8.270 nan 0.000 0.418 408 L N -0.868 120.347 121.223 -0.012 0.000 2.202 408 L HA -0.045 4.287 4.340 -0.013 0.000 0.205 408 L C 1.776 178.638 176.870 -0.014 0.000 1.083 408 L CA 0.196 55.031 54.840 -0.009 0.000 0.790 408 L CB -0.114 41.945 42.059 -0.001 0.000 0.942 408 L HN 0.131 nan 8.230 nan 0.000 0.452 409 L N 0.032 121.238 121.223 -0.029 0.000 2.592 409 L HA 0.263 4.595 4.340 -0.013 0.000 0.227 409 L C 1.415 178.270 176.870 -0.024 0.000 1.127 409 L CA 0.572 55.403 54.840 -0.016 0.000 0.884 409 L CB -0.714 41.340 42.059 -0.007 0.000 1.065 409 L HN 0.331 nan 8.230 nan 0.000 0.457 410 G N 0.459 109.229 108.800 -0.049 0.000 2.283 410 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.280 410 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.280 410 G C 0.439 175.293 174.900 -0.077 0.000 1.029 410 G CA 0.514 45.586 45.100 -0.048 0.000 0.840 410 G HN 0.401 nan 8.290 nan 0.000 0.505 411 V N -3.000 116.815 119.914 -0.165 0.000 2.904 411 V HA 0.779 4.891 4.120 -0.013 0.000 0.305 411 V C 0.423 176.441 176.094 -0.128 0.000 1.067 411 V CA -0.758 61.410 62.300 -0.220 0.000 1.044 411 V CB 2.046 33.462 31.823 -0.679 0.000 1.050 411 V HN 0.395 nan 8.190 nan 0.000 0.475 412 E N 2.649 122.847 120.200 -0.005 0.000 2.109 412 E HA 0.472 4.814 4.350 -0.013 0.000 0.278 412 E C 0.476 177.068 176.600 -0.013 0.000 0.954 412 E CA -0.534 55.881 56.400 0.026 0.000 0.779 412 E CB 0.964 30.737 29.700 0.121 0.000 1.093 412 E HN 1.169 nan 8.360 nan 0.000 0.401 413 G N 4.451 113.109 108.800 -0.237 0.000 2.369 413 G HA2 -0.128 3.824 3.960 -0.013 0.000 0.287 413 G HA3 -0.128 3.824 3.960 -0.013 0.000 0.287 413 G C 0.613 175.107 174.900 -0.676 0.000 1.009 413 G CA 0.015 44.694 45.100 -0.702 0.000 1.393 413 G HN 0.667 nan 8.290 nan 0.000 0.432 414 R N 2.390 122.664 120.500 -0.376 0.000 2.246 414 R HA 0.183 4.515 4.340 -0.013 0.000 0.199 414 R C 0.428 176.676 176.300 -0.086 0.000 0.984 414 R CA -0.318 55.648 56.100 -0.223 0.000 1.015 414 R CB -0.203 29.862 30.300 -0.392 0.000 0.930 414 R HN 0.428 nan 8.270 nan 0.000 0.475 415 F N 0.000 119.995 119.950 0.075 0.000 2.286 415 F HA 0.000 4.519 4.527 -0.013 0.000 0.279 415 F CA 0.000 58.056 58.000 0.094 0.000 1.383 415 F CB 0.000 39.062 39.000 0.103 0.000 1.145 415 F HN 0.000 nan 8.300 nan 0.000 0.574