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 1y64_1_A DATA FIRST_RESID 4 DATA SEQUENCE ETTALVCDNG SGLVKAGFAG DDAPRAVFPS IVGRPRXXXX XXXXXXXXSY DATA SEQUENCE VGDEAQSKRG ILTLKYPIEX GIITNWDDME KIWHHTFYNE LRVAPEEHPT DATA SEQUENCE LLTEAPLNPK ANREKMTQIM FETFNVPAMY VAIQAVLSLY ASGRTTGIVL DATA SEQUENCE DSGDGVTHNV PIYEGYALPH AIMRLDLAGR DLTDYLMKIL TERGYSFVTT DATA SEQUENCE AEREIVRDIK EKLCYVALDF ENEMATAASS SSLEKSYELP DGQVITIGNE DATA SEQUENCE RFRCPETLFQ PSFIGMESAG IHETTYNSIM KCDIDIRKDL YANNVMSGGT DATA SEQUENCE TMYPGIADRM QKEITALAPS TMKIKIIAPP ERKYSVWIGG SILASLSTFQ DATA SEQUENCE QMWITKQEYD EAGPSIVHR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.596 176.600 -0.006 0.000 1.382 4 E CA 0.000 56.402 56.400 0.003 0.000 0.976 4 E CB 0.000 29.703 29.700 0.005 0.000 0.812 5 T N 0.788 115.342 114.554 0.001 0.000 2.840 5 T HA 0.685 5.035 4.350 -0.000 0.000 0.317 5 T C -1.300 173.408 174.700 0.012 0.000 1.401 5 T CA -0.537 61.557 62.100 -0.011 0.000 1.028 5 T CB 2.139 71.012 68.868 0.009 0.000 1.317 5 T HN 0.451 nan 8.240 nan 0.000 0.495 6 T N 0.904 115.451 114.554 -0.012 0.000 2.786 6 T HA 0.796 5.146 4.350 -0.000 0.000 0.316 6 T C -1.748 173.019 174.700 0.111 0.000 1.503 6 T CA -0.760 61.395 62.100 0.093 0.000 1.019 6 T CB 1.792 70.787 68.868 0.211 0.000 1.415 6 T HN 1.036 nan 8.240 nan 0.000 0.496 7 A N 1.895 124.874 122.820 0.267 0.000 2.480 7 A HA 0.709 5.029 4.320 -0.000 0.000 0.289 7 A C -1.303 176.429 177.584 0.246 0.000 1.044 7 A CA -0.636 51.548 52.037 0.245 0.000 0.761 7 A CB 0.749 19.885 19.000 0.226 0.000 1.289 7 A HN 0.720 nan 8.150 nan 0.000 0.401 8 L N 1.514 122.842 121.223 0.174 0.000 2.421 8 L HA 0.679 5.019 4.340 -0.000 0.000 0.263 8 L C -0.374 176.499 176.870 0.005 0.000 1.122 8 L CA -0.900 53.949 54.840 0.016 0.000 0.804 8 L CB 1.625 43.620 42.059 -0.107 0.000 1.150 8 L HN 0.432 nan 8.230 nan 0.000 0.457 9 V N 1.524 121.408 119.914 -0.050 0.000 2.447 9 V HA 0.215 4.335 4.120 -0.000 0.000 0.292 9 V C -0.967 175.108 176.094 -0.031 0.000 1.021 9 V CA -0.479 61.738 62.300 -0.137 0.000 0.850 9 V CB 1.782 33.312 31.823 -0.487 0.000 1.005 9 V HN 0.853 nan 8.190 nan 0.000 0.426 10 C N 4.722 124.008 119.300 -0.022 0.000 2.291 10 C HA 0.533 4.993 4.460 -0.000 0.000 0.322 10 C C -0.044 174.980 174.990 0.057 0.000 1.205 10 C CA -0.733 58.305 59.018 0.033 0.000 1.495 10 C CB 0.033 27.759 27.740 -0.024 0.000 2.127 10 C HN 0.979 nan 8.230 nan 0.000 0.452 11 D N 4.368 124.834 120.400 0.110 0.000 2.441 11 D HA 0.249 4.889 4.640 -0.000 0.000 0.221 11 D C -0.049 176.252 176.300 0.001 0.000 1.156 11 D CA 0.091 54.128 54.000 0.062 0.000 0.896 11 D CB 0.268 41.136 40.800 0.114 0.000 1.028 11 D HN 0.655 nan 8.370 nan 0.000 0.509 12 N N 2.103 120.820 118.700 0.027 0.000 2.470 12 N HA 0.502 5.242 4.740 -0.000 0.000 0.268 12 N C 0.068 175.534 175.510 -0.073 0.000 1.136 12 N CA -0.104 52.933 53.050 -0.022 0.000 0.961 12 N CB 1.690 40.215 38.487 0.063 0.000 1.067 12 N HN 0.399 nan 8.380 nan 0.000 0.468 13 G N -0.266 108.455 108.800 -0.131 0.000 2.658 13 G HA2 0.327 4.287 3.960 -0.000 0.000 0.292 13 G HA3 0.327 4.287 3.960 -0.000 0.000 0.292 13 G C 0.347 175.151 174.900 -0.160 0.000 1.320 13 G CA -0.613 44.406 45.100 -0.135 0.000 0.933 13 G HN 0.467 nan 8.290 nan 0.000 0.476 14 S N 0.018 115.638 115.700 -0.133 0.000 2.363 14 S HA -0.111 4.359 4.470 -0.000 0.000 0.218 14 S C 2.436 176.932 174.600 -0.172 0.000 1.035 14 S CA 1.846 59.977 58.200 -0.115 0.000 1.043 14 S CB -0.622 62.544 63.200 -0.056 0.000 0.986 14 S HN 0.878 nan 8.310 nan 0.000 0.423 15 G N 0.680 109.399 108.800 -0.134 0.000 2.411 15 G HA2 0.274 4.234 3.960 -0.000 0.000 0.213 15 G HA3 0.274 4.234 3.960 -0.000 0.000 0.213 15 G C 0.140 174.921 174.900 -0.197 0.000 1.166 15 G CA 0.235 45.242 45.100 -0.155 0.000 0.802 15 G HN 0.346 nan 8.290 nan 0.000 0.533 16 L N 1.084 122.196 121.223 -0.185 0.000 2.404 16 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 16 L C -0.183 176.532 176.870 -0.260 0.000 0.980 16 L CA -0.675 54.042 54.840 -0.204 0.000 0.836 16 L CB 2.477 44.410 42.059 -0.210 0.000 1.238 16 L HN -0.169 nan 8.230 nan 0.000 0.408 17 V N 2.887 122.629 119.914 -0.288 0.000 3.287 17 V HA 0.176 4.296 4.120 -0.000 0.000 0.306 17 V C 0.129 175.902 176.094 -0.534 0.000 1.103 17 V CA -0.243 61.816 62.300 -0.402 0.000 1.159 17 V CB 0.921 32.421 31.823 -0.538 0.000 1.036 17 V HN 0.724 nan 8.190 nan 0.000 0.487 18 K N 1.937 122.065 120.400 -0.453 0.000 2.793 18 K HA 0.679 4.999 4.320 -0.000 0.000 0.269 18 K C -1.013 175.405 176.600 -0.303 0.000 1.124 18 K CA -0.018 55.990 56.287 -0.463 0.000 1.074 18 K CB 1.717 33.956 32.500 -0.435 0.000 1.322 18 K HN 0.863 nan 8.250 nan 0.000 0.532 19 A N 1.048 123.660 122.820 -0.347 0.000 2.549 19 A HA 0.942 5.262 4.320 -0.000 0.000 0.297 19 A C -0.541 177.003 177.584 -0.068 0.000 1.061 19 A CA -0.310 51.707 52.037 -0.034 0.000 0.690 19 A CB 1.810 20.794 19.000 -0.026 0.000 1.287 19 A HN 0.642 nan 8.150 nan 0.000 0.402 20 G N -0.309 108.630 108.800 0.233 0.000 2.933 20 G HA2 0.657 4.617 3.960 -0.000 0.000 0.203 20 G HA3 0.657 4.617 3.960 -0.000 0.000 0.203 20 G C -1.010 173.786 174.900 -0.173 0.000 1.170 20 G CA -0.475 44.593 45.100 -0.054 0.000 0.880 20 G HN 0.578 nan 8.290 nan 0.000 0.573 21 F N 0.779 120.932 119.950 0.339 0.000 2.403 21 F HA 0.779 5.306 4.527 -0.000 0.000 0.326 21 F C 1.210 177.122 175.800 0.187 0.000 1.099 21 F CA -0.288 57.848 58.000 0.227 0.000 1.036 21 F CB 0.568 39.671 39.000 0.172 0.000 1.336 21 F HN 0.597 nan 8.300 nan 0.000 0.497 22 A N 0.072 123.089 122.820 0.329 0.000 2.245 22 A HA 0.407 4.727 4.320 -0.000 0.000 0.279 22 A C 1.184 178.868 177.584 0.168 0.000 1.290 22 A CA -0.127 52.009 52.037 0.165 0.000 0.819 22 A CB -1.209 17.894 19.000 0.171 0.000 1.173 22 A HN 1.366 nan 8.150 nan 0.000 0.508 23 G N 0.206 109.066 108.800 0.099 0.000 2.064 23 G HA2 0.034 3.994 3.960 -0.000 0.000 0.243 23 G HA3 0.034 3.994 3.960 -0.000 0.000 0.243 23 G C -0.333 174.653 174.900 0.144 0.000 0.594 23 G CA 1.401 46.558 45.100 0.094 0.000 1.003 23 G HN 0.808 nan 8.290 nan 0.000 0.403 24 D N -0.701 119.826 120.400 0.212 0.000 2.566 24 D HA 0.404 5.044 4.640 -0.000 0.000 0.254 24 D C 0.854 177.327 176.300 0.288 0.000 1.090 24 D CA -0.650 53.521 54.000 0.285 0.000 1.034 24 D CB 1.306 42.399 40.800 0.488 0.000 1.434 24 D HN 0.008 nan 8.370 nan 0.000 0.509 25 D N -0.864 119.667 120.400 0.218 0.000 2.271 25 D HA 0.420 5.060 4.640 -0.000 0.000 0.206 25 D C -0.416 175.980 176.300 0.160 0.000 0.967 25 D CA 0.462 54.549 54.000 0.146 0.000 0.867 25 D CB 0.474 41.301 40.800 0.045 0.000 0.960 25 D HN 0.372 nan 8.370 nan 0.000 0.509 26 A N -0.736 122.139 122.820 0.091 0.000 2.438 26 A HA 0.457 4.776 4.320 -0.000 0.000 0.301 26 A C -2.718 174.278 177.584 -0.978 0.000 1.101 26 A CA -1.035 50.751 52.037 -0.418 0.000 0.621 26 A CB 0.342 19.097 19.000 -0.409 0.000 1.350 26 A HN -0.078 nan 8.150 nan 0.000 0.496 27 P HA 0.205 nan 4.420 nan 0.000 0.271 27 P C -0.342 176.765 177.300 -0.321 0.000 1.226 27 P CA 0.192 62.684 63.100 -1.014 0.000 0.765 27 P CB 0.653 31.672 31.700 -1.135 0.000 0.835 28 R N 2.254 122.726 120.500 -0.046 0.000 2.541 28 R HA 0.394 4.734 4.340 -0.000 0.000 0.245 28 R C -0.212 176.103 176.300 0.025 0.000 1.154 28 R CA 0.075 56.223 56.100 0.080 0.000 1.179 28 R CB -0.367 30.145 30.300 0.352 0.000 1.189 28 R HN 0.640 nan 8.270 nan 0.000 0.526 29 A N -0.876 121.883 122.820 -0.102 0.000 2.585 29 A HA 0.484 4.804 4.320 -0.000 0.000 0.299 29 A C -1.669 175.738 177.584 -0.295 0.000 1.047 29 A CA -0.652 51.307 52.037 -0.128 0.000 0.723 29 A CB 1.500 20.444 19.000 -0.093 0.000 1.275 29 A HN 0.015 nan 8.150 nan 0.000 0.408 30 V N 1.932 121.671 119.914 -0.292 0.000 2.950 30 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 30 V C -0.859 175.068 176.094 -0.278 0.000 1.297 30 V CA -0.187 61.849 62.300 -0.440 0.000 0.962 30 V CB 1.735 33.377 31.823 -0.302 0.000 1.081 30 V HN 1.678 nan 8.190 nan 0.000 0.432 31 F N 2.689 122.524 119.950 -0.191 0.000 3.052 31 F HA 0.912 5.439 4.527 -0.000 0.000 0.323 31 F C -3.121 172.550 175.800 -0.214 0.000 1.178 31 F CA -2.242 55.646 58.000 -0.186 0.000 0.892 31 F CB 1.637 40.508 39.000 -0.214 0.000 1.416 31 F HN 0.314 nan 8.300 nan 0.000 0.488 32 P HA 0.237 nan 4.420 nan 0.000 0.293 32 P C -1.142 176.116 177.300 -0.070 0.000 1.291 32 P CA -0.472 62.622 63.100 -0.010 0.000 0.867 32 P CB 1.937 33.589 31.700 -0.080 0.000 1.074 33 S N 3.036 118.594 115.700 -0.236 0.000 2.670 33 S HA 0.265 4.735 4.470 -0.000 0.000 0.328 33 S C 0.438 174.715 174.600 -0.538 0.000 1.179 33 S CA 0.089 58.089 58.200 -0.333 0.000 1.194 33 S CB -1.199 61.771 63.200 -0.383 0.000 1.359 33 S HN 0.315 nan 8.310 nan 0.000 0.555 34 I N 2.801 123.170 120.570 -0.335 0.000 2.722 34 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 34 I C -1.066 174.981 176.117 -0.117 0.000 1.267 34 I CA -0.733 60.435 61.300 -0.220 0.000 1.036 34 I CB 2.348 40.268 38.000 -0.132 0.000 1.281 34 I HN 0.170 nan 8.210 nan 0.000 0.423 35 V N 3.454 123.348 119.914 -0.034 0.000 2.709 35 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 35 V C 0.225 176.334 176.094 0.026 0.000 1.062 35 V CA -0.602 61.688 62.300 -0.017 0.000 0.901 35 V CB 2.008 33.812 31.823 -0.032 0.000 1.003 35 V HN 0.889 nan 8.190 nan 0.000 0.425 36 G N 3.640 112.468 108.800 0.047 0.000 2.384 36 G HA2 0.695 4.655 3.960 -0.000 0.000 0.316 36 G HA3 0.695 4.655 3.960 -0.000 0.000 0.316 36 G C -0.498 174.428 174.900 0.044 0.000 1.160 36 G CA -0.559 44.584 45.100 0.072 0.000 0.936 36 G HN 0.611 nan 8.290 nan 0.000 0.455 37 R N 2.978 123.494 120.500 0.026 0.000 2.621 37 R HA 0.353 4.693 4.340 -0.000 0.000 0.284 37 R C -2.857 173.450 176.300 0.011 0.000 0.998 37 R CA -1.733 54.366 56.100 -0.003 0.000 0.895 37 R CB 2.894 33.188 30.300 -0.010 0.000 1.195 37 R HN 0.321 nan 8.270 nan 0.000 0.450 38 P HA 0.018 nan 4.420 nan 0.000 0.269 38 P C -0.179 177.126 177.300 0.008 0.000 1.215 38 P CA -0.144 62.963 63.100 0.012 0.000 0.780 38 P CB 0.583 32.285 31.700 0.005 0.000 0.898 53 Y N 1.894 122.199 120.300 0.007 0.000 2.373 53 Y HA 0.566 5.116 4.550 -0.000 0.000 0.327 53 Y C 0.074 175.974 175.900 -0.001 0.000 1.036 53 Y CA -1.056 57.048 58.100 0.008 0.000 1.265 53 Y CB 1.626 40.087 38.460 0.002 0.000 1.108 53 Y HN 0.700 nan 8.280 nan 0.000 0.471 54 V N 2.249 122.263 119.914 0.167 0.000 3.234 54 V HA 0.795 4.915 4.120 -0.000 0.000 0.317 54 V C 0.783 176.823 176.094 -0.090 0.000 1.081 54 V CA 0.750 63.069 62.300 0.031 0.000 1.037 54 V CB 1.390 33.228 31.823 0.025 0.000 1.148 54 V HN 1.016 nan 8.190 nan 0.000 0.453 55 G N 1.855 110.435 108.800 -0.367 0.000 2.523 55 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.271 55 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.271 55 G C 0.600 175.331 174.900 -0.282 0.000 1.146 55 G CA 0.587 45.305 45.100 -0.636 0.000 0.961 55 G HN 0.620 nan 8.290 nan 0.000 0.549 56 D N 1.776 122.061 120.400 -0.192 0.000 2.259 56 D HA 0.055 4.695 4.640 -0.000 0.000 0.216 56 D C 1.849 178.126 176.300 -0.037 0.000 0.961 56 D CA 1.126 55.088 54.000 -0.063 0.000 0.878 56 D CB -0.056 40.738 40.800 -0.010 0.000 1.009 56 D HN 0.723 nan 8.370 nan 0.000 0.490 57 E N 0.376 120.555 120.200 -0.035 0.000 2.467 57 E HA 0.306 4.656 4.350 -0.000 0.000 0.321 57 E C 0.223 176.796 176.600 -0.045 0.000 1.388 57 E CA -0.165 56.206 56.400 -0.048 0.000 1.508 57 E CB 0.297 29.952 29.700 -0.075 0.000 1.250 57 E HN 0.006 nan 8.360 nan 0.000 0.500 58 A N 1.297 124.103 122.820 -0.024 0.000 2.701 58 A HA 0.116 4.436 4.320 -0.000 0.000 0.241 58 A C 1.353 178.945 177.584 0.014 0.000 1.231 58 A CA -0.263 51.776 52.037 0.004 0.000 1.003 58 A CB 0.513 19.513 19.000 0.000 0.000 1.281 58 A HN 0.228 nan 8.150 nan 0.000 0.600 59 Q N 0.140 119.944 119.800 0.006 0.000 2.388 59 Q HA 0.191 4.531 4.340 -0.000 0.000 0.204 59 Q C 0.933 176.939 176.000 0.009 0.000 0.946 59 Q CA 1.326 57.140 55.803 0.018 0.000 0.880 59 Q CB 0.088 28.838 28.738 0.020 0.000 0.997 59 Q HN 0.373 nan 8.270 nan 0.000 0.552 60 S N 1.260 116.957 115.700 -0.005 0.000 3.864 60 S HA 0.198 4.668 4.470 -0.000 0.000 0.202 60 S C 0.226 174.808 174.600 -0.031 0.000 1.402 60 S CA 0.226 58.416 58.200 -0.016 0.000 1.072 60 S CB -0.383 62.802 63.200 -0.025 0.000 1.383 60 S HN 0.186 nan 8.310 nan 0.000 0.458 61 K N 0.816 121.210 120.400 -0.010 0.000 3.109 61 K HA 0.032 4.352 4.320 -0.000 0.000 0.115 61 K C -0.337 176.280 176.600 0.028 0.000 0.976 61 K CA -0.220 56.067 56.287 -0.001 0.000 1.044 61 K CB 0.354 32.844 32.500 -0.017 0.000 0.724 61 K HN 0.153 nan 8.250 nan 0.000 0.350 62 R N -0.011 120.503 120.500 0.023 0.000 2.500 62 R HA 0.423 4.763 4.340 -0.000 0.000 0.275 62 R C 0.763 177.078 176.300 0.024 0.000 1.051 62 R CA 1.925 58.041 56.100 0.027 0.000 1.088 62 R CB 1.127 31.442 30.300 0.024 0.000 1.063 62 R HN 0.364 nan 8.270 nan 0.000 0.511 63 G N 3.854 112.668 108.800 0.024 0.000 3.922 63 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.208 63 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.208 63 G C 1.161 176.075 174.900 0.024 0.000 1.491 63 G CA 0.341 45.453 45.100 0.020 0.000 1.017 63 G HN 0.617 nan 8.290 nan 0.000 0.603 64 I N 0.572 121.160 120.570 0.031 0.000 2.090 64 I HA 0.243 4.413 4.170 -0.000 0.000 0.236 64 I C 1.427 177.568 176.117 0.040 0.000 1.064 64 I CA 0.948 62.270 61.300 0.036 0.000 1.324 64 I CB -0.762 37.267 38.000 0.049 0.000 1.044 64 I HN 0.202 nan 8.210 nan 0.000 0.399 65 L N 2.584 123.840 121.223 0.055 0.000 2.313 65 L HA 0.250 4.590 4.340 -0.000 0.000 0.282 65 L C 0.053 176.947 176.870 0.040 0.000 1.092 65 L CA -0.294 54.578 54.840 0.054 0.000 0.831 65 L CB 0.837 42.949 42.059 0.088 0.000 1.159 65 L HN 0.246 nan 8.230 nan 0.000 0.442 66 T N 3.421 117.992 114.554 0.028 0.000 2.899 66 T HA 0.435 4.785 4.350 -0.000 0.000 0.295 66 T C 0.086 174.803 174.700 0.029 0.000 1.033 66 T CA -0.587 61.526 62.100 0.021 0.000 1.084 66 T CB 0.940 69.814 68.868 0.011 0.000 0.979 66 T HN 0.287 nan 8.240 nan 0.000 0.532 67 L N 2.469 123.710 121.223 0.030 0.000 2.307 67 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 67 L C 0.380 177.293 176.870 0.071 0.000 1.023 67 L CA -1.063 53.811 54.840 0.057 0.000 0.810 67 L CB 1.129 43.235 42.059 0.077 0.000 1.231 67 L HN 0.428 nan 8.230 nan 0.000 0.423 68 K N 2.039 122.501 120.400 0.102 0.000 2.238 68 K HA 0.446 4.766 4.320 -0.000 0.000 0.239 68 K C -1.236 175.531 176.600 0.279 0.000 0.987 68 K CA -0.704 55.656 56.287 0.122 0.000 0.857 68 K CB 2.074 34.597 32.500 0.040 0.000 1.154 68 K HN 0.271 nan 8.250 nan 0.000 0.439 69 Y N 1.036 121.286 120.300 -0.084 0.000 2.658 69 Y HA 0.235 4.785 4.550 -0.000 0.000 0.362 69 Y C -1.805 174.009 175.900 -0.143 0.000 1.017 69 Y CA -2.685 55.354 58.100 -0.102 0.000 1.134 69 Y CB 0.862 39.272 38.460 -0.083 0.000 1.144 69 Y HN 0.440 nan 8.280 nan 0.000 0.655 70 P HA -0.219 nan 4.420 nan 0.000 0.220 70 P C -0.108 177.034 177.300 -0.264 0.000 1.149 70 P CA 1.818 64.780 63.100 -0.230 0.000 0.829 70 P CB 0.332 31.840 31.700 -0.319 0.000 0.772 71 I N -1.089 119.362 120.570 -0.198 0.000 2.406 71 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 71 I C 0.538 176.618 176.117 -0.061 0.000 0.999 71 I CA -0.647 60.551 61.300 -0.170 0.000 1.124 71 I CB 2.156 40.046 38.000 -0.184 0.000 1.289 71 I HN -0.170 nan 8.210 nan 0.000 0.441 75 I N 3.305 123.866 120.570 -0.016 0.000 2.365 75 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 75 I C 0.542 176.604 176.117 -0.092 0.000 1.004 75 I CA -0.746 60.549 61.300 -0.009 0.000 1.311 75 I CB 1.462 39.484 38.000 0.037 0.000 1.401 75 I HN 0.077 nan 8.210 nan 0.000 0.491 76 I N 5.164 125.632 120.570 -0.171 0.000 2.710 76 I HA 0.031 4.201 4.170 -0.000 0.000 0.286 76 I C 1.220 177.073 176.117 -0.439 0.000 1.181 76 I CA 0.366 61.392 61.300 -0.458 0.000 1.430 76 I CB 0.384 37.829 38.000 -0.924 0.000 1.367 76 I HN 0.837 nan 8.210 nan 0.000 0.577 77 T N 0.146 114.436 114.554 -0.440 0.000 2.986 77 T HA 0.080 4.430 4.350 -0.000 0.000 0.264 77 T C 0.334 174.867 174.700 -0.278 0.000 0.964 77 T CA -0.307 61.640 62.100 -0.255 0.000 0.895 77 T CB 0.133 68.930 68.868 -0.118 0.000 1.163 77 T HN 0.592 nan 8.240 nan 0.000 0.517 78 N N -0.189 118.248 118.700 -0.437 0.000 2.504 78 N HA 0.229 4.969 4.740 -0.000 0.000 0.280 78 N C -0.849 174.442 175.510 -0.365 0.000 1.052 78 N CA -0.766 52.133 53.050 -0.252 0.000 0.887 78 N CB 1.193 39.591 38.487 -0.148 0.000 1.323 78 N HN 0.277 nan 8.380 nan 0.000 0.509 79 W N 1.860 123.164 121.300 0.008 0.000 2.737 79 W HA 0.186 4.846 4.660 0.000 0.000 0.262 79 W C 1.513 178.047 176.519 0.025 0.000 1.282 79 W CA -0.039 57.320 57.345 0.023 0.000 1.386 79 W CB 0.423 29.923 29.460 0.067 0.000 1.099 79 W HN 0.483 nan 8.180 nan 0.000 0.621 80 D N 0.880 121.390 120.400 0.183 0.000 2.078 80 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 80 D C 1.136 177.478 176.300 0.070 0.000 0.990 80 D CA 1.723 55.795 54.000 0.120 0.000 0.827 80 D CB -0.547 40.299 40.800 0.076 0.000 0.975 80 D HN 0.127 nan 8.370 nan 0.000 0.451 81 D N 0.656 121.059 120.400 0.004 0.000 2.078 81 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 81 D C 2.065 178.299 176.300 -0.109 0.000 0.990 81 D CA 0.620 54.593 54.000 -0.045 0.000 0.827 81 D CB -0.474 40.282 40.800 -0.074 0.000 0.975 81 D HN 0.023 nan 8.370 nan 0.000 0.451 82 M N 1.308 120.770 119.600 -0.229 0.000 2.103 82 M HA -0.259 4.221 4.480 -0.000 0.000 0.255 82 M C 1.861 177.941 176.300 -0.367 0.000 1.074 82 M CA 1.768 56.785 55.300 -0.472 0.000 1.090 82 M CB -0.414 31.787 32.600 -0.666 0.000 1.325 82 M HN 0.077 nan 8.290 nan 0.000 0.403 83 E N -0.561 119.657 120.200 0.029 0.000 2.130 83 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 83 E C 1.824 178.634 176.600 0.350 0.000 0.998 83 E CA 1.351 57.966 56.400 0.359 0.000 0.806 83 E CB 0.009 29.912 29.700 0.337 0.000 0.738 83 E HN 0.419 nan 8.360 nan 0.000 0.459 84 K N 0.551 121.056 120.400 0.175 0.000 2.009 84 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 84 K C 2.262 178.997 176.600 0.225 0.000 1.049 84 K CA 1.382 57.786 56.287 0.195 0.000 0.929 84 K CB -0.620 31.927 32.500 0.079 0.000 0.714 84 K HN 0.310 nan 8.250 nan 0.000 0.440 85 I N -0.199 120.385 120.570 0.024 0.000 2.052 85 I HA -0.334 3.836 4.170 -0.000 0.000 0.235 85 I C 2.448 178.609 176.117 0.073 0.000 1.046 85 I CA 1.428 62.700 61.300 -0.047 0.000 1.308 85 I CB -0.577 37.276 38.000 -0.244 0.000 1.031 85 I HN 0.223 nan 8.210 nan 0.000 0.395 86 W N 1.061 122.412 121.300 0.084 0.000 2.292 86 W HA -0.282 4.378 4.660 -0.000 0.000 0.304 86 W C 2.678 179.151 176.519 -0.076 0.000 1.228 86 W CA 1.985 59.280 57.345 -0.084 0.000 1.241 86 W CB -1.526 28.047 29.460 0.188 0.000 1.142 86 W HN 0.447 nan 8.180 nan 0.000 0.520 87 H N -0.791 118.599 119.070 0.533 0.000 2.253 87 H HA -0.216 4.340 4.556 -0.000 0.000 0.299 87 H C 2.332 177.899 175.328 0.397 0.000 1.064 87 H CA 2.381 58.791 56.048 0.603 0.000 1.264 87 H CB -0.955 29.182 29.762 0.625 0.000 1.371 87 H HN 0.010 nan 8.280 nan 0.000 0.493 88 H N 0.728 119.883 119.070 0.143 0.000 2.314 88 H HA -0.188 4.368 4.556 -0.000 0.000 0.288 88 H C 1.941 177.218 175.328 -0.085 0.000 1.091 88 H CA 2.840 58.900 56.048 0.020 0.000 1.155 88 H CB -0.789 28.946 29.762 -0.045 0.000 1.362 88 H HN 0.459 nan 8.280 nan 0.000 0.530 89 T N 1.401 116.098 114.554 0.238 0.000 2.634 89 T HA -0.293 4.057 4.350 -0.000 0.000 0.256 89 T C 1.837 176.411 174.700 -0.209 0.000 1.131 89 T CA 2.502 64.618 62.100 0.027 0.000 1.149 89 T CB -0.843 67.838 68.868 -0.312 0.000 0.849 89 T HN 0.196 nan 8.240 nan 0.000 0.457 90 F N 0.440 120.260 119.950 -0.216 0.000 1.980 90 F HA 0.083 4.610 4.527 -0.000 0.000 0.297 90 F C 2.278 177.878 175.800 -0.333 0.000 1.285 90 F CA 0.716 58.439 58.000 -0.461 0.000 1.168 90 F CB -1.587 36.840 39.000 -0.955 0.000 0.959 90 F HN 0.091 nan 8.300 nan 0.000 0.503 91 Y N 0.545 120.864 120.300 0.033 0.000 2.265 91 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 91 Y C 1.934 177.816 175.900 -0.031 0.000 1.222 91 Y CA 1.721 59.800 58.100 -0.035 0.000 1.226 91 Y CB -1.641 36.753 38.460 -0.110 0.000 0.968 91 Y HN 0.281 nan 8.280 nan 0.000 0.540 92 N N -0.399 118.343 118.700 0.070 0.000 2.349 92 N HA -0.050 4.690 4.740 -0.000 0.000 0.216 92 N C 0.848 176.430 175.510 0.119 0.000 1.025 92 N CA 0.344 53.410 53.050 0.026 0.000 1.074 92 N CB -0.080 38.256 38.487 -0.253 0.000 1.323 92 N HN 0.174 nan 8.380 nan 0.000 0.560 93 E N 1.282 121.619 120.200 0.229 0.000 2.357 93 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 93 E C 0.654 177.316 176.600 0.104 0.000 1.177 93 E CA 0.420 56.943 56.400 0.205 0.000 0.998 93 E CB 0.189 30.078 29.700 0.315 0.000 1.106 93 E HN 0.446 nan 8.360 nan 0.000 0.470 94 L N -1.110 120.164 121.223 0.085 0.000 3.174 94 L HA 0.103 4.443 4.340 -0.000 0.000 0.313 94 L C 0.616 177.559 176.870 0.120 0.000 1.021 94 L CA -0.033 54.846 54.840 0.065 0.000 1.269 94 L CB 0.491 42.491 42.059 -0.098 0.000 2.173 94 L HN 0.073 nan 8.230 nan 0.000 0.591 95 R N -0.301 120.253 120.500 0.090 0.000 4.010 95 R HA -0.153 4.187 4.340 -0.000 0.000 0.409 95 R C 0.093 176.441 176.300 0.080 0.000 1.120 95 R CA 0.802 56.967 56.100 0.108 0.000 1.244 95 R CB -2.421 27.948 30.300 0.115 0.000 1.799 95 R HN 0.218 nan 8.270 nan 0.000 0.559 96 V N 0.608 120.520 119.914 -0.004 0.000 2.785 96 V HA 0.631 4.751 4.120 -0.000 0.000 0.300 96 V C 0.827 176.794 176.094 -0.212 0.000 1.062 96 V CA -0.107 62.129 62.300 -0.107 0.000 1.029 96 V CB 1.761 33.393 31.823 -0.317 0.000 1.024 96 V HN 0.274 nan 8.190 nan 0.000 0.477 97 A N 4.881 127.623 122.820 -0.130 0.000 2.508 97 A HA 0.759 5.079 4.320 -0.000 0.000 0.336 97 A C -1.612 175.864 177.584 -0.179 0.000 1.360 97 A CA -1.489 50.480 52.037 -0.114 0.000 0.841 97 A CB 0.235 19.448 19.000 0.355 0.000 1.136 97 A HN 0.728 nan 8.150 nan 0.000 0.489 98 P HA -0.358 nan 4.420 nan 0.000 0.271 98 P C 0.968 178.198 177.300 -0.118 0.000 1.272 98 P CA 1.868 64.691 63.100 -0.461 0.000 1.296 98 P CB -0.002 31.435 31.700 -0.438 0.000 0.698 99 E N -1.736 118.428 120.200 -0.061 0.000 4.202 99 E HA -0.342 4.008 4.350 -0.000 0.000 0.204 99 E C 1.280 177.875 176.600 -0.008 0.000 1.313 99 E CA 2.606 59.004 56.400 -0.003 0.000 2.172 99 E CB -1.729 27.995 29.700 0.039 0.000 1.910 99 E HN 0.605 nan 8.360 nan 0.000 0.262 100 E N 0.530 120.758 120.200 0.046 0.000 2.482 100 E HA 0.017 4.367 4.350 -0.000 0.000 0.200 100 E C -0.591 175.889 176.600 -0.201 0.000 1.147 100 E CA 0.542 56.939 56.400 -0.005 0.000 0.912 100 E CB -0.047 29.707 29.700 0.091 0.000 0.938 100 E HN 0.327 nan 8.360 nan 0.000 0.519 101 H N -1.548 117.450 119.070 -0.120 0.000 2.966 101 H HA 0.281 4.836 4.556 -0.000 0.000 0.347 101 H C -2.617 172.576 175.328 -0.225 0.000 1.048 101 H CA -2.174 53.789 56.048 -0.141 0.000 1.295 101 H CB 1.519 31.206 29.762 -0.125 0.000 1.744 101 H HN -0.096 nan 8.280 nan 0.000 0.513 102 P HA 0.222 nan 4.420 nan 0.000 0.280 102 P C -0.733 176.401 177.300 -0.277 0.000 1.244 102 P CA -0.367 62.463 63.100 -0.450 0.000 0.784 102 P CB 1.122 32.398 31.700 -0.708 0.000 0.913 103 T N 3.252 117.623 114.554 -0.305 0.000 2.841 103 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 103 T C -0.546 174.174 174.700 0.034 0.000 1.000 103 T CA -0.488 61.550 62.100 -0.103 0.000 0.977 103 T CB 0.785 69.576 68.868 -0.129 0.000 0.979 103 T HN 0.144 nan 8.240 nan 0.000 0.446 104 L N 4.134 125.421 121.223 0.106 0.000 2.262 104 L HA 0.550 4.890 4.340 -0.000 0.000 0.288 104 L C -0.957 175.918 176.870 0.008 0.000 1.035 104 L CA -0.418 54.504 54.840 0.136 0.000 0.820 104 L CB 0.189 42.310 42.059 0.105 0.000 1.204 104 L HN 0.547 nan 8.230 nan 0.000 0.424 105 L N 3.338 124.548 121.223 -0.022 0.000 2.332 105 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 105 L C 0.271 177.116 176.870 -0.042 0.000 1.016 105 L CA -0.726 54.089 54.840 -0.041 0.000 0.809 105 L CB 2.008 44.011 42.059 -0.092 0.000 1.280 105 L HN 0.572 nan 8.230 nan 0.000 0.447 106 T N -1.596 112.957 114.554 -0.002 0.000 2.940 106 T HA 0.722 5.072 4.350 -0.000 0.000 0.288 106 T C -0.814 173.893 174.700 0.012 0.000 1.045 106 T CA -0.826 61.260 62.100 -0.023 0.000 1.018 106 T CB 2.317 71.173 68.868 -0.019 0.000 1.151 106 T HN 0.772 nan 8.240 nan 0.000 0.529 107 E N -0.146 120.051 120.200 -0.006 0.000 2.375 107 E HA 0.600 4.950 4.350 -0.000 0.000 0.280 107 E C -0.945 175.668 176.600 0.022 0.000 0.972 107 E CA -1.487 54.928 56.400 0.025 0.000 0.782 107 E CB 1.374 31.088 29.700 0.023 0.000 1.229 107 E HN 0.898 nan 8.360 nan 0.000 0.439 108 A N 2.697 125.547 122.820 0.051 0.000 2.406 108 A HA 0.437 4.757 4.320 -0.000 0.000 0.243 108 A C -2.230 175.401 177.584 0.078 0.000 1.082 108 A CA -0.988 51.106 52.037 0.096 0.000 0.786 108 A CB -0.435 18.656 19.000 0.151 0.000 1.029 108 A HN 0.511 nan 8.150 nan 0.000 0.495 109 P HA 0.260 nan 4.420 nan 0.000 0.268 109 P C 0.007 177.256 177.300 -0.086 0.000 1.205 109 P CA 0.360 63.426 63.100 -0.056 0.000 0.771 109 P CB 0.216 31.815 31.700 -0.168 0.000 0.858 110 L N -1.309 119.872 121.223 -0.071 0.000 4.351 110 L HA -0.245 4.095 4.340 -0.000 0.000 0.410 110 L C 0.362 177.239 176.870 0.013 0.000 1.150 110 L CA -0.127 54.685 54.840 -0.048 0.000 0.961 110 L CB -2.068 39.934 42.059 -0.094 0.000 2.130 110 L HN 0.469 nan 8.230 nan 0.000 0.787 111 N N 2.307 121.030 118.700 0.038 0.000 2.438 111 N HA 0.241 4.981 4.740 -0.000 0.000 0.267 111 N C -2.143 173.420 175.510 0.087 0.000 1.222 111 N CA -1.188 51.907 53.050 0.076 0.000 0.930 111 N CB 0.664 39.203 38.487 0.087 0.000 1.083 111 N HN 0.002 nan 8.380 nan 0.000 0.476 112 P HA -0.032 nan 4.420 nan 0.000 0.261 112 P C 0.542 177.922 177.300 0.133 0.000 1.183 112 P CA 0.107 63.268 63.100 0.102 0.000 0.761 112 P CB 0.466 32.230 31.700 0.106 0.000 0.785 113 K N 3.236 123.723 120.400 0.145 0.000 2.127 113 K HA -0.315 4.005 4.320 -0.000 0.000 0.212 113 K C 1.934 178.676 176.600 0.237 0.000 1.050 113 K CA 2.094 58.539 56.287 0.263 0.000 0.929 113 K CB -0.648 31.971 32.500 0.198 0.000 0.715 113 K HN 0.522 nan 8.250 nan 0.000 0.457 114 A N 2.646 125.555 122.820 0.147 0.000 1.894 114 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 114 A C 1.768 179.386 177.584 0.057 0.000 1.237 114 A CA 2.438 54.533 52.037 0.097 0.000 0.660 114 A CB -0.894 18.156 19.000 0.085 0.000 0.835 114 A HN 0.475 nan 8.150 nan 0.000 0.461 115 N N -0.898 117.875 118.700 0.121 0.000 2.270 115 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 115 N C 1.873 177.451 175.510 0.114 0.000 1.016 115 N CA 1.221 54.369 53.050 0.163 0.000 0.870 115 N CB -0.367 38.401 38.487 0.469 0.000 0.979 115 N HN 0.587 nan 8.380 nan 0.000 0.431 116 R N 1.353 121.906 120.500 0.088 0.000 2.159 116 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 116 R C 1.728 177.970 176.300 -0.096 0.000 1.131 116 R CA 1.194 57.291 56.100 -0.005 0.000 0.982 116 R CB 0.172 30.429 30.300 -0.072 0.000 0.868 116 R HN 0.408 nan 8.270 nan 0.000 0.453 117 E N -0.121 120.027 120.200 -0.087 0.000 2.021 117 E HA -0.180 4.170 4.350 -0.000 0.000 0.189 117 E C 1.867 178.392 176.600 -0.125 0.000 0.980 117 E CA 0.797 57.147 56.400 -0.082 0.000 0.803 117 E CB -0.104 29.609 29.700 0.021 0.000 0.766 117 E HN 0.176 nan 8.360 nan 0.000 0.449 118 K N 0.755 121.011 120.400 -0.239 0.000 2.211 118 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 118 K C 2.134 178.484 176.600 -0.417 0.000 1.047 118 K CA 0.986 56.975 56.287 -0.496 0.000 0.935 118 K CB -0.007 31.883 32.500 -1.018 0.000 0.728 118 K HN 0.072 nan 8.250 nan 0.000 0.452 119 M N -0.403 119.097 119.600 -0.167 0.000 2.101 119 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 119 M C 2.238 178.489 176.300 -0.082 0.000 1.083 119 M CA 2.261 57.648 55.300 0.145 0.000 1.114 119 M CB -0.574 32.156 32.600 0.218 0.000 1.281 119 M HN 0.172 nan 8.290 nan 0.000 0.422 120 T N 0.176 114.650 114.554 -0.134 0.000 2.592 120 T HA -0.303 4.047 4.350 -0.000 0.000 0.267 120 T C 1.644 176.212 174.700 -0.219 0.000 1.060 120 T CA 2.547 64.520 62.100 -0.212 0.000 1.167 120 T CB -0.478 68.326 68.868 -0.107 0.000 0.863 120 T HN 0.580 nan 8.240 nan 0.000 0.431 121 Q N 0.033 119.748 119.800 -0.142 0.000 2.084 121 Q HA -0.188 4.152 4.340 -0.000 0.000 0.215 121 Q C 2.389 178.341 176.000 -0.080 0.000 1.020 121 Q CA 2.326 58.076 55.803 -0.089 0.000 0.887 121 Q CB -0.551 28.175 28.738 -0.020 0.000 0.975 121 Q HN 0.529 nan 8.270 nan 0.000 0.413 122 I N 0.246 120.784 120.570 -0.055 0.000 2.143 122 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 122 I C 2.317 178.376 176.117 -0.097 0.000 1.068 122 I CA 1.596 62.898 61.300 0.004 0.000 1.326 122 I CB -0.976 37.164 38.000 0.234 0.000 1.028 122 I HN 0.358 nan 8.210 nan 0.000 0.412 123 M N 0.171 119.664 119.600 -0.177 0.000 2.494 123 M HA -0.175 4.305 4.480 -0.000 0.000 0.270 123 M C 2.426 178.613 176.300 -0.189 0.000 1.092 123 M CA 1.632 56.819 55.300 -0.188 0.000 1.085 123 M CB -1.558 30.719 32.600 -0.538 0.000 1.211 123 M HN 0.009 nan 8.290 nan 0.000 0.481 124 F N 1.181 121.007 119.950 -0.205 0.000 2.079 124 F HA -0.296 4.231 4.527 -0.000 0.000 0.296 124 F C 2.602 178.380 175.800 -0.037 0.000 1.084 124 F CA 1.768 59.657 58.000 -0.184 0.000 1.236 124 F CB -1.154 37.504 39.000 -0.569 0.000 0.984 124 F HN 0.350 nan 8.300 nan 0.000 0.488 125 E N -0.716 119.563 120.200 0.132 0.000 2.028 125 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 125 E C 2.337 178.922 176.600 -0.024 0.000 0.984 125 E CA 1.831 58.292 56.400 0.103 0.000 0.800 125 E CB -0.825 28.925 29.700 0.083 0.000 0.758 125 E HN 0.329 nan 8.360 nan 0.000 0.448 126 T N 0.295 114.739 114.554 -0.183 0.000 3.043 126 T HA 0.023 4.373 4.350 -0.000 0.000 0.263 126 T C -0.095 174.254 174.700 -0.586 0.000 1.094 126 T CA 0.552 62.383 62.100 -0.448 0.000 1.127 126 T CB 0.014 68.454 68.868 -0.713 0.000 0.905 126 T HN -0.082 nan 8.240 nan 0.000 0.490 127 F N 1.301 121.266 119.950 0.026 0.000 2.579 127 F HA 0.372 4.899 4.527 -0.000 0.000 0.325 127 F C 0.105 175.868 175.800 -0.061 0.000 1.162 127 F CA -1.791 56.187 58.000 -0.036 0.000 0.946 127 F CB 0.285 39.164 39.000 -0.202 0.000 1.211 127 F HN -0.101 nan 8.300 nan 0.000 0.447 128 N N 1.816 120.599 118.700 0.138 0.000 3.026 128 N HA 0.043 4.783 4.740 -0.000 0.000 0.320 128 N C -0.098 175.451 175.510 0.066 0.000 1.260 128 N CA -0.321 52.795 53.050 0.110 0.000 1.139 128 N CB -0.008 38.535 38.487 0.092 0.000 1.416 128 N HN 0.426 nan 8.380 nan 0.000 0.565 129 V N -0.689 119.230 119.914 0.008 0.000 2.450 129 V HA 0.089 4.209 4.120 -0.000 0.000 0.281 129 V C -0.940 175.168 176.094 0.024 0.000 1.019 129 V CA -1.383 60.843 62.300 -0.125 0.000 1.062 129 V CB 0.904 32.511 31.823 -0.360 0.000 0.979 129 V HN 0.216 nan 8.190 nan 0.000 0.477 130 P HA 0.035 nan 4.420 nan 0.000 0.215 130 P C 0.491 177.824 177.300 0.055 0.000 1.153 130 P CA 2.085 65.199 63.100 0.023 0.000 0.853 130 P CB 0.406 32.057 31.700 -0.080 0.000 0.788 131 A N -1.078 121.658 122.820 -0.141 0.000 2.610 131 A HA 0.794 5.114 4.320 -0.000 0.000 0.291 131 A C -1.244 176.065 177.584 -0.459 0.000 1.086 131 A CA -0.576 51.326 52.037 -0.225 0.000 0.677 131 A CB 1.245 19.886 19.000 -0.599 0.000 1.278 131 A HN 0.147 nan 8.150 nan 0.000 0.414 132 M N -0.365 119.111 119.600 -0.206 0.000 2.569 132 M HA 0.637 5.117 4.480 -0.000 0.000 0.287 132 M C -1.466 175.103 176.300 0.448 0.000 1.130 132 M CA -0.284 54.978 55.300 -0.063 0.000 0.885 132 M CB 0.818 33.228 32.600 -0.316 0.000 1.759 132 M HN 1.019 nan 8.290 nan 0.000 0.515 133 Y N 0.815 121.378 120.300 0.440 0.000 2.512 133 Y HA 0.889 5.439 4.550 -0.000 0.000 0.348 133 Y C -1.689 174.294 175.900 0.138 0.000 0.990 133 Y CA -1.292 56.987 58.100 0.299 0.000 1.033 133 Y CB 2.146 40.757 38.460 0.252 0.000 1.259 133 Y HN 0.742 nan 8.280 nan 0.000 0.461 134 V N 5.380 124.912 119.914 -0.638 0.000 2.334 134 V HA 0.626 4.746 4.120 -0.000 0.000 0.281 134 V C -0.224 175.441 176.094 -0.714 0.000 1.016 134 V CA -0.543 61.465 62.300 -0.486 0.000 0.832 134 V CB 0.809 32.467 31.823 -0.276 0.000 0.999 134 V HN 0.828 nan 8.190 nan 0.000 0.439 135 A N 5.845 128.425 122.820 -0.399 0.000 2.310 135 A HA 0.810 5.130 4.320 -0.000 0.000 0.299 135 A C -0.399 177.091 177.584 -0.156 0.000 1.147 135 A CA -0.521 51.363 52.037 -0.256 0.000 0.818 135 A CB 0.423 19.346 19.000 -0.127 0.000 1.096 135 A HN 0.649 nan 8.150 nan 0.000 0.495 136 I N 1.709 122.205 120.570 -0.123 0.000 2.588 136 I HA 0.006 4.176 4.170 -0.000 0.000 0.283 136 I C 1.692 177.755 176.117 -0.089 0.000 1.119 136 I CA 0.570 61.819 61.300 -0.084 0.000 1.419 136 I CB 0.353 38.312 38.000 -0.070 0.000 1.394 136 I HN 0.850 nan 8.210 nan 0.000 0.562 137 Q N 4.145 123.914 119.800 -0.051 0.000 2.020 137 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 137 Q C 1.678 177.644 176.000 -0.057 0.000 0.982 137 Q CA 1.868 57.643 55.803 -0.046 0.000 0.838 137 Q CB -0.153 28.575 28.738 -0.017 0.000 0.899 137 Q HN 0.885 nan 8.270 nan 0.000 0.423 138 A N 0.445 123.241 122.820 -0.039 0.000 3.343 138 A HA -0.068 4.252 4.320 -0.000 0.000 0.151 138 A C 1.782 179.303 177.584 -0.104 0.000 0.831 138 A CA 0.779 52.788 52.037 -0.046 0.000 1.197 138 A CB -0.973 18.010 19.000 -0.028 0.000 0.961 138 A HN 0.188 nan 8.150 nan 0.000 0.538 139 V N -0.953 118.889 119.914 -0.120 0.000 0.670 139 V HA -0.440 3.680 4.120 -0.000 0.000 0.092 139 V C 2.271 178.080 176.094 -0.474 0.000 1.222 139 V CA 2.733 64.878 62.300 -0.258 0.000 3.193 139 V CB -1.741 29.920 31.823 -0.271 0.000 0.429 139 V HN 0.690 nan 8.190 nan 0.000 0.411 140 L N -0.665 120.292 121.223 -0.442 0.000 2.089 140 L HA -0.254 4.085 4.340 -0.000 0.000 0.213 140 L C 2.535 179.312 176.870 -0.155 0.000 1.079 140 L CA 2.239 56.852 54.840 -0.377 0.000 0.758 140 L CB -0.606 41.329 42.059 -0.207 0.000 0.891 140 L HN 0.603 nan 8.230 nan 0.000 0.433 141 S N 0.168 115.810 115.700 -0.097 0.000 2.380 141 S HA -0.242 4.228 4.470 -0.000 0.000 0.217 141 S C 1.874 176.492 174.600 0.030 0.000 1.036 141 S CA 1.638 59.830 58.200 -0.014 0.000 1.050 141 S CB -0.416 62.773 63.200 -0.018 0.000 1.016 141 S HN 0.460 nan 8.310 nan 0.000 0.419 142 L N 0.347 121.589 121.223 0.033 0.000 2.450 142 L HA -0.165 4.175 4.340 -0.000 0.000 0.225 142 L C 1.829 178.841 176.870 0.237 0.000 1.145 142 L CA 1.373 56.276 54.840 0.105 0.000 0.801 142 L CB -0.303 41.815 42.059 0.099 0.000 0.924 142 L HN 0.358 nan 8.230 nan 0.000 0.447 143 Y N 0.545 120.831 120.300 -0.024 0.000 2.200 143 Y HA 0.071 4.620 4.550 -0.000 0.000 0.290 143 Y C 1.878 177.754 175.900 -0.039 0.000 1.137 143 Y CA 0.151 58.224 58.100 -0.046 0.000 1.163 143 Y CB -0.798 37.618 38.460 -0.074 0.000 0.988 143 Y HN 0.252 nan 8.280 nan 0.000 0.518 144 A N -0.035 122.871 122.820 0.143 0.000 2.923 144 A HA 0.514 4.834 4.320 -0.000 0.000 0.306 144 A C 0.705 178.327 177.584 0.063 0.000 1.542 144 A CA 0.591 52.675 52.037 0.077 0.000 1.225 144 A CB -0.658 18.389 19.000 0.079 0.000 1.147 144 A HN 0.330 nan 8.150 nan 0.000 0.542 145 S N -0.055 115.673 115.700 0.046 0.000 2.436 145 S HA 0.311 4.781 4.470 -0.000 0.000 0.207 145 S C 1.297 175.906 174.600 0.015 0.000 0.847 145 S CA 0.986 59.206 58.200 0.034 0.000 1.623 145 S CB -1.027 62.200 63.200 0.044 0.000 1.267 145 S HN 2.348 nan 8.310 nan 0.000 0.591 146 G N 3.508 112.309 108.800 0.002 0.000 3.078 146 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.227 146 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.227 146 G C 0.402 175.269 174.900 -0.056 0.000 1.306 146 G CA 0.455 45.534 45.100 -0.035 0.000 0.841 146 G HN 1.135 nan 8.290 nan 0.000 0.530 147 R N 1.045 121.530 120.500 -0.024 0.000 2.971 147 R HA 0.388 4.728 4.340 -0.000 0.000 0.278 147 R C 0.213 176.491 176.300 -0.036 0.000 1.022 147 R CA 1.334 57.416 56.100 -0.030 0.000 1.187 147 R CB -0.385 29.915 30.300 -0.002 0.000 1.126 147 R HN 1.023 nan 8.270 nan 0.000 0.510 148 T N -2.854 111.677 114.554 -0.038 0.000 3.905 148 T HA 0.312 4.662 4.350 -0.000 0.000 0.227 148 T C -0.893 173.814 174.700 0.012 0.000 1.055 148 T CA -0.588 61.508 62.100 -0.005 0.000 1.607 148 T CB 0.127 68.898 68.868 -0.162 0.000 0.781 148 T HN 0.727 nan 8.240 nan 0.000 0.639 149 T N 0.150 114.726 114.554 0.037 0.000 3.041 149 T HA 0.587 4.937 4.350 -0.000 0.000 0.359 149 T C -0.210 174.510 174.700 0.033 0.000 1.846 149 T CA 0.243 62.349 62.100 0.010 0.000 1.066 149 T CB 0.685 69.466 68.868 -0.145 0.000 1.774 149 T HN 1.863 nan 8.240 nan 0.000 0.509 150 G N 1.283 110.119 108.800 0.060 0.000 2.785 150 G HA2 0.017 3.977 3.960 -0.000 0.000 0.686 150 G HA3 0.017 3.977 3.960 -0.000 0.000 0.686 150 G C -0.414 174.506 174.900 0.032 0.000 1.155 150 G CA -0.642 44.488 45.100 0.050 0.000 0.760 150 G HN 1.110 nan 8.290 nan 0.000 0.624 151 I N 1.010 121.585 120.570 0.008 0.000 2.906 151 I HA 0.108 4.278 4.170 -0.000 0.000 0.301 151 I C 0.986 177.095 176.117 -0.012 0.000 1.221 151 I CA 0.405 61.695 61.300 -0.017 0.000 1.435 151 I CB 0.142 38.109 38.000 -0.056 0.000 1.345 151 I HN 0.453 nan 8.210 nan 0.000 0.558 152 V N 8.190 128.096 119.914 -0.013 0.000 2.975 152 V HA 0.377 4.497 4.120 -0.000 0.000 0.318 152 V C -0.231 175.852 176.094 -0.019 0.000 1.077 152 V CA -0.775 61.519 62.300 -0.011 0.000 1.000 152 V CB 1.894 33.712 31.823 -0.009 0.000 1.066 152 V HN 0.543 nan 8.190 nan 0.000 0.452 153 L N 2.638 123.847 121.223 -0.024 0.000 2.470 153 L HA 0.475 4.815 4.340 -0.000 0.000 0.253 153 L C -0.434 176.407 176.870 -0.048 0.000 1.163 153 L CA -0.037 54.780 54.840 -0.039 0.000 0.932 153 L CB 0.816 42.844 42.059 -0.053 0.000 1.213 153 L HN 0.635 nan 8.230 nan 0.000 0.485 154 D N 0.946 121.323 120.400 -0.039 0.000 2.341 154 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 154 D C -0.053 176.191 176.300 -0.094 0.000 1.106 154 D CA 0.442 54.407 54.000 -0.058 0.000 0.905 154 D CB 1.806 42.580 40.800 -0.044 0.000 1.202 154 D HN 0.369 nan 8.370 nan 0.000 0.426 155 S N 1.734 117.362 115.700 -0.120 0.000 2.586 155 S HA 0.278 4.748 4.470 -0.000 0.000 0.218 155 S C 0.533 175.039 174.600 -0.156 0.000 0.761 155 S CA 0.062 58.173 58.200 -0.149 0.000 0.999 155 S CB -0.638 62.466 63.200 -0.160 0.000 1.634 155 S HN 0.531 nan 8.310 nan 0.000 0.482 156 G N 1.647 110.361 108.800 -0.142 0.000 2.519 156 G HA2 0.022 3.982 3.960 -0.000 0.000 0.161 156 G HA3 0.022 3.982 3.960 -0.000 0.000 0.161 156 G C 0.699 175.530 174.900 -0.115 0.000 1.671 156 G CA 0.950 45.970 45.100 -0.133 0.000 1.028 156 G HN 0.486 nan 8.290 nan 0.000 0.486 157 D N -0.400 119.944 120.400 -0.093 0.000 2.121 157 D HA -0.023 4.617 4.640 -0.000 0.000 0.209 157 D C 2.687 178.957 176.300 -0.050 0.000 0.981 157 D CA 1.623 55.590 54.000 -0.055 0.000 0.875 157 D CB -0.952 39.829 40.800 -0.031 0.000 1.016 157 D HN 0.311 nan 8.370 nan 0.000 0.452 158 G N 0.479 109.248 108.800 -0.051 0.000 2.421 158 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 158 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 158 G C 0.810 175.659 174.900 -0.085 0.000 1.171 158 G CA 1.112 46.184 45.100 -0.046 0.000 0.775 158 G HN 0.324 nan 8.290 nan 0.000 0.543 159 V N -1.179 118.648 119.914 -0.145 0.000 3.130 159 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 159 V C -1.257 174.677 176.094 -0.268 0.000 1.158 159 V CA -0.605 61.567 62.300 -0.214 0.000 1.029 159 V CB 2.554 34.192 31.823 -0.308 0.000 1.057 159 V HN 0.064 nan 8.190 nan 0.000 0.436 160 T N 3.457 117.854 114.554 -0.263 0.000 2.906 160 T HA 0.557 4.907 4.350 -0.000 0.000 0.302 160 T C -0.998 173.624 174.700 -0.130 0.000 1.002 160 T CA -0.186 61.794 62.100 -0.201 0.000 0.988 160 T CB 0.323 69.105 68.868 -0.144 0.000 0.972 160 T HN 0.799 nan 8.240 nan 0.000 0.447 161 H N 2.015 121.042 119.070 -0.073 0.000 2.533 161 H HA 0.485 5.041 4.556 -0.000 0.000 0.343 161 H C -0.038 175.247 175.328 -0.071 0.000 1.160 161 H CA -1.107 54.901 56.048 -0.066 0.000 1.218 161 H CB 1.247 30.974 29.762 -0.058 0.000 1.566 161 H HN 0.275 nan 8.280 nan 0.000 0.522 162 N N 1.954 120.699 118.700 0.074 0.000 2.518 162 N HA 0.173 4.913 4.740 -0.000 0.000 0.254 162 N C -1.527 173.966 175.510 -0.027 0.000 0.979 162 N CA -0.254 52.794 53.050 -0.002 0.000 0.930 162 N CB 1.517 39.987 38.487 -0.027 0.000 1.152 162 N HN 0.237 nan 8.380 nan 0.000 0.505 163 V N 5.347 125.244 119.914 -0.028 0.000 2.304 163 V HA 0.362 4.482 4.120 -0.000 0.000 0.278 163 V C -2.192 173.872 176.094 -0.049 0.000 1.018 163 V CA -1.836 60.433 62.300 -0.052 0.000 0.814 163 V CB 1.530 33.325 31.823 -0.047 0.000 1.021 163 V HN 0.447 nan 8.190 nan 0.000 0.440 164 P HA 0.310 nan 4.420 nan 0.000 0.271 164 P C -0.392 176.890 177.300 -0.030 0.000 1.226 164 P CA 0.474 63.550 63.100 -0.040 0.000 0.765 164 P CB 0.617 32.286 31.700 -0.052 0.000 0.835 165 I N 2.756 123.343 120.570 0.029 0.000 3.170 165 I HA 0.525 4.695 4.170 -0.000 0.000 0.312 165 I C -0.803 175.440 176.117 0.209 0.000 1.085 165 I CA -0.982 60.362 61.300 0.072 0.000 0.999 165 I CB 2.201 40.246 38.000 0.074 0.000 1.233 165 I HN 0.302 nan 8.210 nan 0.000 0.467 166 Y N 2.208 122.553 120.300 0.075 0.000 2.269 166 Y HA 0.095 4.645 4.550 -0.000 0.000 0.316 166 Y C -1.191 174.807 175.900 0.163 0.000 1.183 166 Y CA -0.442 57.723 58.100 0.110 0.000 1.534 166 Y CB 0.262 38.787 38.460 0.110 0.000 1.244 166 Y HN 0.716 nan 8.280 nan 0.000 0.425 167 E N 2.815 123.094 120.200 0.132 0.000 2.484 167 E HA -0.198 4.152 4.350 -0.000 0.000 0.181 167 E C 1.055 177.828 176.600 0.289 0.000 1.458 167 E CA 0.769 57.260 56.400 0.152 0.000 0.667 167 E CB -1.350 28.459 29.700 0.181 0.000 1.125 167 E HN 1.378 nan 8.360 nan 0.000 0.384 168 G N 1.097 110.093 108.800 0.327 0.000 2.271 168 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.277 168 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.277 168 G C -0.064 175.044 174.900 0.347 0.000 1.004 168 G CA 1.341 46.703 45.100 0.436 0.000 0.679 168 G HN 0.620 nan 8.290 nan 0.000 0.540 169 Y N 1.745 122.161 120.300 0.194 0.000 2.504 169 Y HA 0.649 5.199 4.550 -0.000 0.000 0.339 169 Y C 0.540 176.504 175.900 0.107 0.000 0.974 169 Y CA -1.313 56.871 58.100 0.140 0.000 1.232 169 Y CB 0.153 38.696 38.460 0.138 0.000 1.108 169 Y HN 0.473 nan 8.280 nan 0.000 0.509 170 A N 4.987 127.635 122.820 -0.287 0.000 2.406 170 A HA 0.434 4.754 4.320 -0.000 0.000 0.243 170 A C -0.966 176.215 177.584 -0.671 0.000 1.082 170 A CA -0.364 51.465 52.037 -0.347 0.000 0.786 170 A CB 0.173 19.050 19.000 -0.205 0.000 1.029 170 A HN 0.715 nan 8.150 nan 0.000 0.495 171 L N 3.210 124.191 121.223 -0.403 0.000 2.314 171 L HA 0.324 4.664 4.340 -0.000 0.000 0.275 171 L C -1.715 175.005 176.870 -0.250 0.000 1.068 171 L CA -1.077 53.550 54.840 -0.354 0.000 0.894 171 L CB 0.765 42.708 42.059 -0.194 0.000 1.275 171 L HN 0.456 nan 8.230 nan 0.000 0.432 172 P HA -0.249 nan 4.420 nan 0.000 0.220 172 P C 1.179 178.330 177.300 -0.249 0.000 1.155 172 P CA 1.626 64.553 63.100 -0.288 0.000 0.880 172 P CB 0.099 31.580 31.700 -0.365 0.000 0.790 173 H N -2.322 116.703 119.070 -0.075 0.000 2.548 173 H HA 0.323 4.879 4.556 -0.000 0.000 0.268 173 H C 1.264 176.552 175.328 -0.066 0.000 0.975 173 H CA 1.008 57.021 56.048 -0.059 0.000 1.195 173 H CB -0.084 29.653 29.762 -0.041 0.000 1.397 173 H HN 0.102 nan 8.280 nan 0.000 0.572 174 A N 0.689 123.514 122.820 0.009 0.000 2.574 174 A HA 0.272 4.592 4.320 -0.000 0.000 0.283 174 A C 0.560 178.109 177.584 -0.060 0.000 1.270 174 A CA -0.307 51.716 52.037 -0.023 0.000 0.945 174 A CB -0.056 18.926 19.000 -0.030 0.000 1.127 174 A HN 0.073 nan 8.150 nan 0.000 0.522 175 I N 1.449 121.969 120.570 -0.083 0.000 2.428 175 I HA 0.245 4.415 4.170 -0.000 0.000 0.289 175 I C -0.189 175.866 176.117 -0.102 0.000 1.019 175 I CA -0.093 61.138 61.300 -0.115 0.000 1.351 175 I CB 1.275 39.168 38.000 -0.179 0.000 1.412 175 I HN 0.209 nan 8.210 nan 0.000 0.513 176 M N 6.712 126.263 119.600 -0.081 0.000 2.238 176 M HA 0.401 4.881 4.480 -0.000 0.000 0.350 176 M C -0.317 175.972 176.300 -0.017 0.000 1.138 176 M CA -0.352 54.920 55.300 -0.047 0.000 1.040 176 M CB 1.457 34.039 32.600 -0.029 0.000 1.639 176 M HN 0.535 nan 8.290 nan 0.000 0.451 177 R N 3.624 124.132 120.500 0.014 0.000 2.437 177 R HA 0.772 5.112 4.340 -0.000 0.000 0.310 177 R C -1.978 174.391 176.300 0.116 0.000 0.955 177 R CA -0.621 55.600 56.100 0.203 0.000 0.851 177 R CB 1.692 32.054 30.300 0.104 0.000 1.161 177 R HN 0.794 nan 8.270 nan 0.000 0.446 178 L N 3.000 124.286 121.223 0.105 0.000 2.381 178 L HA 0.502 4.842 4.340 -0.000 0.000 0.268 178 L C -0.844 176.021 176.870 -0.009 0.000 0.997 178 L CA -0.431 54.419 54.840 0.015 0.000 0.818 178 L CB 2.367 44.409 42.059 -0.029 0.000 1.310 178 L HN 0.655 nan 8.230 nan 0.000 0.416 179 D N 4.926 125.318 120.400 -0.013 0.000 2.561 179 D HA 0.211 4.851 4.640 -0.000 0.000 0.232 179 D C -0.429 175.850 176.300 -0.034 0.000 1.198 179 D CA 0.435 54.420 54.000 -0.024 0.000 0.826 179 D CB 0.449 41.245 40.800 -0.007 0.000 0.992 179 D HN 0.372 nan 8.370 nan 0.000 0.490 180 L N 0.224 121.417 121.223 -0.049 0.000 2.322 180 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 180 L C -0.463 176.367 176.870 -0.067 0.000 1.014 180 L CA -0.132 54.678 54.840 -0.048 0.000 0.815 180 L CB 1.546 43.572 42.059 -0.055 0.000 1.247 180 L HN 0.053 nan 8.230 nan 0.000 0.421 181 A N 3.295 126.087 122.820 -0.046 0.000 5.534 181 A HA 0.476 4.796 4.320 -0.000 0.000 0.112 181 A C 0.674 178.251 177.584 -0.012 0.000 1.126 181 A CA 0.284 52.289 52.037 -0.054 0.000 1.849 181 A CB -0.806 18.141 19.000 -0.088 0.000 2.644 181 A HN 0.786 nan 8.150 nan 0.000 1.204 182 G N 0.738 109.525 108.800 -0.020 0.000 2.982 182 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.193 182 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.193 182 G C 1.311 176.236 174.900 0.041 0.000 1.431 182 G CA 2.060 47.169 45.100 0.015 0.000 0.787 182 G HN 1.253 nan 8.290 nan 0.000 0.720 183 R N 0.212 120.735 120.500 0.038 0.000 2.244 183 R HA -0.130 4.210 4.340 -0.000 0.000 0.252 183 R C 1.694 178.016 176.300 0.037 0.000 1.177 183 R CA 1.830 57.954 56.100 0.040 0.000 1.004 183 R CB -0.792 29.534 30.300 0.043 0.000 0.873 183 R HN 0.337 nan 8.270 nan 0.000 0.469 184 D N 1.241 121.661 120.400 0.033 0.000 2.104 184 D HA -0.087 4.553 4.640 -0.000 0.000 0.194 184 D C 2.079 178.424 176.300 0.075 0.000 0.994 184 D CA 1.172 55.197 54.000 0.041 0.000 0.830 184 D CB -0.009 40.804 40.800 0.022 0.000 0.959 184 D HN 0.268 nan 8.370 nan 0.000 0.452 185 L N 0.331 121.601 121.223 0.079 0.000 2.068 185 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 185 L C 2.477 179.410 176.870 0.105 0.000 1.076 185 L CA 0.931 55.833 54.840 0.104 0.000 0.753 185 L CB -0.568 41.559 42.059 0.113 0.000 0.910 185 L HN -0.022 nan 8.230 nan 0.000 0.439 186 T N -0.548 114.050 114.554 0.073 0.000 2.836 186 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 186 T C 1.161 175.886 174.700 0.042 0.000 1.080 186 T CA 1.724 63.848 62.100 0.039 0.000 1.128 186 T CB -0.258 68.628 68.868 0.030 0.000 0.839 186 T HN 0.318 nan 8.240 nan 0.000 0.507 187 D N -0.530 119.913 120.400 0.070 0.000 2.144 187 D HA 0.033 4.673 4.640 -0.000 0.000 0.207 187 D C 1.537 177.898 176.300 0.103 0.000 0.970 187 D CA 0.502 54.542 54.000 0.068 0.000 0.853 187 D CB -0.314 40.524 40.800 0.062 0.000 1.007 187 D HN 0.504 nan 8.370 nan 0.000 0.469 188 Y N 1.359 121.678 120.300 0.032 0.000 2.384 188 Y HA -0.186 4.364 4.550 -0.000 0.000 0.289 188 Y C 1.699 177.617 175.900 0.031 0.000 1.152 188 Y CA 0.758 58.888 58.100 0.049 0.000 1.258 188 Y CB -0.023 38.501 38.460 0.105 0.000 0.979 188 Y HN 0.028 nan 8.280 nan 0.000 0.549 189 L N -0.484 120.869 121.223 0.216 0.000 1.973 189 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 189 L C 2.164 179.016 176.870 -0.030 0.000 1.073 189 L CA 1.959 56.859 54.840 0.100 0.000 0.746 189 L CB -1.468 40.605 42.059 0.024 0.000 0.891 189 L HN 0.187 nan 8.230 nan 0.000 0.433 190 M N -0.067 119.515 119.600 -0.031 0.000 2.192 190 M HA -0.267 4.213 4.480 -0.000 0.000 0.256 190 M C 2.244 178.530 176.300 -0.024 0.000 1.076 190 M CA 2.340 57.633 55.300 -0.012 0.000 1.075 190 M CB -0.514 32.091 32.600 0.009 0.000 1.368 190 M HN 0.526 nan 8.290 nan 0.000 0.406 191 K N 1.780 122.119 120.400 -0.102 0.000 1.977 191 K HA -0.217 4.103 4.320 -0.000 0.000 0.218 191 K C 1.446 177.940 176.600 -0.176 0.000 1.051 191 K CA 2.389 58.565 56.287 -0.184 0.000 0.953 191 K CB -0.661 31.604 32.500 -0.392 0.000 0.727 191 K HN 0.398 nan 8.250 nan 0.000 0.445 192 I N -0.338 120.083 120.570 -0.249 0.000 2.315 192 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 192 I C 2.067 178.170 176.117 -0.023 0.000 1.117 192 I CA 1.305 62.515 61.300 -0.150 0.000 1.404 192 I CB -0.738 37.176 38.000 -0.143 0.000 1.071 192 I HN 0.147 nan 8.210 nan 0.000 0.419 193 L N 0.619 121.843 121.223 0.001 0.000 2.043 193 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 193 L C 2.505 179.511 176.870 0.228 0.000 1.075 193 L CA 2.325 57.201 54.840 0.059 0.000 0.752 193 L CB -1.302 40.770 42.059 0.022 0.000 0.891 193 L HN 0.380 nan 8.230 nan 0.000 0.432 194 T N -1.246 113.416 114.554 0.180 0.000 3.023 194 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 194 T C 1.407 176.164 174.700 0.094 0.000 1.093 194 T CA 0.652 62.852 62.100 0.165 0.000 1.129 194 T CB -0.148 68.781 68.868 0.101 0.000 0.899 194 T HN 0.428 nan 8.240 nan 0.000 0.491 195 E N 1.052 121.282 120.200 0.050 0.000 2.515 195 E HA 0.000 4.350 4.350 -0.000 0.000 0.201 195 E C 1.481 178.106 176.600 0.041 0.000 1.071 195 E CA 0.277 56.684 56.400 0.012 0.000 0.880 195 E CB 0.066 29.744 29.700 -0.037 0.000 0.828 195 E HN 0.284 nan 8.360 nan 0.000 0.540 196 R N 0.416 120.982 120.500 0.110 0.000 2.688 196 R HA 0.138 4.478 4.340 -0.000 0.000 0.396 196 R C -0.277 176.136 176.300 0.189 0.000 1.081 196 R CA -0.012 56.181 56.100 0.156 0.000 1.093 196 R CB 0.282 30.723 30.300 0.235 0.000 1.338 196 R HN 0.123 nan 8.270 nan 0.000 0.613 197 G N 2.016 110.863 108.800 0.079 0.000 2.318 197 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 197 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 197 G C -1.032 173.815 174.900 -0.088 0.000 0.329 197 G CA 0.645 45.740 45.100 -0.008 0.000 1.034 197 G HN 0.433 nan 8.290 nan 0.000 0.438 198 Y N -0.061 120.209 120.300 -0.051 0.000 2.615 198 Y HA 0.471 5.021 4.550 -0.000 0.000 0.341 198 Y C 1.354 177.092 175.900 -0.270 0.000 1.089 198 Y CA -0.315 57.698 58.100 -0.145 0.000 1.049 198 Y CB 1.725 40.168 38.460 -0.028 0.000 1.296 198 Y HN 0.524 nan 8.280 nan 0.000 0.470 199 S N -0.313 115.175 115.700 -0.352 0.000 2.660 199 S HA 0.055 4.525 4.470 -0.000 0.000 0.228 199 S C -0.216 174.145 174.600 -0.399 0.000 0.966 199 S CA 0.209 58.162 58.200 -0.413 0.000 0.940 199 S CB -1.016 61.922 63.200 -0.437 0.000 0.773 199 S HN 0.371 nan 8.310 nan 0.000 0.535 200 F N 2.124 122.144 119.950 0.116 0.000 2.377 200 F HA 0.468 4.995 4.527 -0.000 0.000 0.360 200 F C 1.098 176.920 175.800 0.037 0.000 1.147 200 F CA -0.857 57.181 58.000 0.063 0.000 1.170 200 F CB 0.931 39.956 39.000 0.042 0.000 1.339 200 F HN 0.078 nan 8.300 nan 0.000 0.552 201 V N -1.791 118.223 119.914 0.168 0.000 3.744 201 V HA 0.086 4.206 4.120 -0.000 0.000 0.183 201 V C 0.948 177.091 176.094 0.080 0.000 1.397 201 V CA 0.359 62.715 62.300 0.094 0.000 1.244 201 V CB 0.008 31.860 31.823 0.049 0.000 1.227 201 V HN 0.519 nan 8.190 nan 0.000 0.569 202 T N 0.763 115.361 114.554 0.073 0.000 2.576 202 T HA 0.086 4.436 4.350 -0.000 0.000 0.351 202 T C 1.137 175.882 174.700 0.075 0.000 1.066 202 T CA 1.665 63.800 62.100 0.060 0.000 1.046 202 T CB 0.381 69.280 68.868 0.052 0.000 0.999 202 T HN 0.569 nan 8.240 nan 0.000 0.544 203 T N 1.405 115.993 114.554 0.057 0.000 2.673 203 T HA 0.164 4.514 4.350 -0.000 0.000 0.248 203 T C 2.498 177.242 174.700 0.073 0.000 1.080 203 T CA 1.159 63.292 62.100 0.055 0.000 1.203 203 T CB -1.221 67.670 68.868 0.038 0.000 0.893 203 T HN 0.834 nan 8.240 nan 0.000 0.404 204 A N 1.898 124.759 122.820 0.068 0.000 1.971 204 A HA -0.177 4.143 4.320 -0.000 0.000 0.222 204 A C 1.637 179.294 177.584 0.123 0.000 1.182 204 A CA 1.419 53.502 52.037 0.078 0.000 0.649 204 A CB -0.583 18.456 19.000 0.065 0.000 0.818 204 A HN 0.538 nan 8.150 nan 0.000 0.458 205 E N -0.815 119.483 120.200 0.165 0.000 2.528 205 E HA 0.044 4.394 4.350 -0.000 0.000 0.237 205 E C 1.026 177.817 176.600 0.318 0.000 1.408 205 E CA 0.138 56.736 56.400 0.330 0.000 1.571 205 E CB -0.062 29.805 29.700 0.278 0.000 1.395 205 E HN 0.721 nan 8.360 nan 0.000 0.438 206 R N 0.008 120.589 120.500 0.136 0.000 3.730 206 R HA -0.064 4.276 4.340 -0.000 0.000 0.089 206 R C 1.513 177.815 176.300 0.005 0.000 0.744 206 R CA 0.275 56.400 56.100 0.041 0.000 1.870 206 R CB 0.090 30.421 30.300 0.052 0.000 1.596 206 R HN 0.032 nan 8.270 nan 0.000 0.447 207 E N 1.821 122.043 120.200 0.036 0.000 2.013 207 E HA -0.161 4.189 4.350 -0.000 0.000 0.202 207 E C 1.216 177.830 176.600 0.024 0.000 1.018 207 E CA 2.285 58.706 56.400 0.034 0.000 0.834 207 E CB -0.357 29.372 29.700 0.047 0.000 0.770 207 E HN 0.465 nan 8.360 nan 0.000 0.459 208 I N -0.473 120.125 120.570 0.046 0.000 3.205 208 I HA 0.108 4.278 4.170 -0.000 0.000 0.283 208 I C 0.113 176.233 176.117 0.006 0.000 1.157 208 I CA 0.247 61.590 61.300 0.072 0.000 1.675 208 I CB 0.180 38.246 38.000 0.111 0.000 1.241 208 I HN -0.008 nan 8.210 nan 0.000 0.669 209 V N 0.897 120.752 119.914 -0.097 0.000 3.406 209 V HA 0.045 4.165 4.120 -0.000 0.000 0.266 209 V C 2.130 178.107 176.094 -0.196 0.000 1.697 209 V CA 0.490 62.623 62.300 -0.279 0.000 1.046 209 V CB -0.107 31.419 31.823 -0.496 0.000 0.879 209 V HN 0.603 nan 8.190 nan 0.000 0.399 210 R N 1.134 121.575 120.500 -0.098 0.000 2.073 210 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 210 R C 1.807 178.057 176.300 -0.082 0.000 1.120 210 R CA 1.687 57.751 56.100 -0.060 0.000 0.967 210 R CB -0.772 29.522 30.300 -0.011 0.000 0.862 210 R HN 0.401 nan 8.270 nan 0.000 0.436 211 D N 0.920 121.276 120.400 -0.073 0.000 2.244 211 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 211 D C 1.600 177.768 176.300 -0.220 0.000 1.006 211 D CA 1.289 55.235 54.000 -0.091 0.000 0.888 211 D CB 0.033 40.828 40.800 -0.009 0.000 0.912 211 D HN 0.278 nan 8.370 nan 0.000 0.452 212 I N 1.320 121.732 120.570 -0.263 0.000 2.072 212 I HA -0.232 3.938 4.170 -0.000 0.000 0.235 212 I C 2.662 178.635 176.117 -0.240 0.000 1.058 212 I CA 1.268 62.365 61.300 -0.339 0.000 1.320 212 I CB -0.552 37.270 38.000 -0.296 0.000 1.047 212 I HN -0.055 nan 8.210 nan 0.000 0.397 213 K N 0.023 120.312 120.400 -0.184 0.000 2.097 213 K HA -0.314 4.006 4.320 -0.000 0.000 0.214 213 K C 1.997 178.543 176.600 -0.089 0.000 1.052 213 K CA 2.455 58.642 56.287 -0.166 0.000 0.932 213 K CB -0.238 32.194 32.500 -0.114 0.000 0.716 213 K HN 0.459 nan 8.250 nan 0.000 0.455 214 E N 0.179 120.356 120.200 -0.038 0.000 2.015 214 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 214 E C 0.399 176.989 176.600 -0.017 0.000 0.991 214 E CA 0.997 57.409 56.400 0.020 0.000 0.802 214 E CB 0.099 29.808 29.700 0.015 0.000 0.759 214 E HN 0.123 nan 8.360 nan 0.000 0.447 215 K N 1.205 121.548 120.400 -0.095 0.000 2.518 215 K HA 0.300 4.620 4.320 -0.000 0.000 0.244 215 K C -0.577 175.928 176.600 -0.158 0.000 1.232 215 K CA 0.043 56.262 56.287 -0.114 0.000 1.189 215 K CB 0.016 32.422 32.500 -0.157 0.000 1.737 215 K HN 0.069 nan 8.250 nan 0.000 0.333 216 L N -1.862 119.306 121.223 -0.090 0.000 2.569 216 L HA -0.156 4.184 4.340 -0.000 0.000 0.306 216 L C -0.773 176.047 176.870 -0.082 0.000 0.662 216 L CA -1.214 53.580 54.840 -0.076 0.000 1.177 216 L CB -0.313 41.665 42.059 -0.136 0.000 1.789 216 L HN 0.417 nan 8.230 nan 0.000 0.362 217 C N 1.687 120.901 119.300 -0.145 0.000 3.348 217 C HA -0.144 4.316 4.460 -0.000 0.000 0.289 217 C C 0.233 175.104 174.990 -0.199 0.000 1.167 217 C CA 0.767 59.641 59.018 -0.241 0.000 2.406 217 C CB -2.795 24.761 27.740 -0.308 0.000 1.487 217 C HN 0.618 nan 8.230 nan 0.000 0.520 218 Y N 0.359 120.644 120.300 -0.026 0.000 2.540 218 Y HA 0.815 5.365 4.550 -0.000 0.000 0.371 218 Y C 0.227 176.187 175.900 0.100 0.000 1.337 218 Y CA -0.833 57.285 58.100 0.029 0.000 1.590 218 Y CB 0.243 38.700 38.460 -0.006 0.000 1.676 218 Y HN 0.295 nan 8.280 nan 0.000 0.614 219 V N -0.369 119.870 119.914 0.542 0.000 2.610 219 V HA 0.649 4.769 4.120 -0.000 0.000 0.298 219 V C 0.514 176.832 176.094 0.373 0.000 1.067 219 V CA -0.964 61.549 62.300 0.354 0.000 0.894 219 V CB 0.096 31.997 31.823 0.130 0.000 1.015 219 V HN 1.287 nan 8.190 nan 0.000 0.432 220 A N 3.462 126.575 122.820 0.488 0.000 3.282 220 A HA 0.201 4.521 4.320 -0.000 0.000 0.169 220 A C 1.215 178.805 177.584 0.009 0.000 0.727 220 A CA 2.636 54.850 52.037 0.295 0.000 1.213 220 A CB -0.296 18.956 19.000 0.420 0.000 0.810 220 A HN 1.250 nan 8.150 nan 0.000 0.513 221 L N -3.999 117.181 121.223 -0.071 0.000 3.927 221 L HA 0.362 4.702 4.340 -0.000 0.000 0.388 221 L C -1.123 175.632 176.870 -0.191 0.000 1.022 221 L CA 0.811 55.564 54.840 -0.146 0.000 1.497 221 L CB 0.844 42.854 42.059 -0.082 0.000 2.031 221 L HN 0.653 nan 8.230 nan 0.000 0.625 222 D N -2.845 117.474 120.400 -0.136 0.000 2.787 222 D HA 0.303 4.943 4.640 -0.000 0.000 0.215 222 D C -0.129 176.183 176.300 0.020 0.000 1.246 222 D CA -0.373 53.560 54.000 -0.112 0.000 0.798 222 D CB 1.014 41.785 40.800 -0.049 0.000 1.649 222 D HN -0.215 nan 8.370 nan 0.000 0.507 223 F N 0.802 120.716 119.950 -0.061 0.000 2.473 223 F HA 0.174 4.701 4.527 -0.000 0.000 0.294 223 F C 1.834 177.628 175.800 -0.010 0.000 1.103 223 F CA 0.470 58.434 58.000 -0.059 0.000 1.442 223 F CB 0.052 38.988 39.000 -0.107 0.000 1.097 223 F HN 0.422 nan 8.300 nan 0.000 0.547 224 E N -0.094 120.213 120.200 0.177 0.000 2.438 224 E HA -0.010 4.340 4.350 -0.000 0.000 0.192 224 E C 0.792 177.445 176.600 0.088 0.000 1.110 224 E CA 0.337 56.798 56.400 0.101 0.000 0.893 224 E CB -0.364 29.374 29.700 0.063 0.000 0.990 224 E HN 0.235 nan 8.360 nan 0.000 0.490 225 N N -1.204 117.569 118.700 0.123 0.000 1.899 225 N HA -0.018 4.722 4.740 -0.000 0.000 0.223 225 N C 0.298 175.901 175.510 0.156 0.000 1.411 225 N CA 0.226 53.340 53.050 0.105 0.000 0.737 225 N CB 0.672 39.198 38.487 0.065 0.000 1.100 225 N HN 0.059 nan 8.380 nan 0.000 0.527 226 E N -0.447 119.910 120.200 0.261 0.000 2.639 226 E HA 0.275 4.625 4.350 -0.000 0.000 0.225 226 E C 0.997 177.887 176.600 0.484 0.000 0.921 226 E CA 0.013 56.647 56.400 0.390 0.000 1.184 226 E CB 0.488 30.516 29.700 0.547 0.000 1.160 226 E HN -0.100 nan 8.360 nan 0.000 0.547 227 M N 0.355 120.141 119.600 0.310 0.000 2.618 227 M HA 0.265 4.745 4.480 -0.000 0.000 0.240 227 M C 1.038 177.396 176.300 0.097 0.000 1.123 227 M CA 0.416 55.774 55.300 0.095 0.000 1.060 227 M CB 0.102 32.569 32.600 -0.222 0.000 1.535 227 M HN 0.196 nan 8.290 nan 0.000 0.507 228 A N -0.667 122.230 122.820 0.128 0.000 2.532 228 A HA 0.275 4.595 4.320 -0.000 0.000 0.273 228 A C 0.754 178.394 177.584 0.093 0.000 1.342 228 A CA 0.103 52.191 52.037 0.086 0.000 0.929 228 A CB -0.522 18.521 19.000 0.071 0.000 1.051 228 A HN 0.299 nan 8.150 nan 0.000 0.521 229 T N -0.655 113.975 114.554 0.127 0.000 3.415 229 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 229 T C 0.554 175.308 174.700 0.090 0.000 1.007 229 T CA 0.614 62.774 62.100 0.100 0.000 0.958 229 T CB 0.429 69.361 68.868 0.106 0.000 1.171 229 T HN 0.848 nan 8.240 nan 0.000 0.500 230 A N 0.077 122.946 122.820 0.082 0.000 2.390 230 A HA 0.622 4.942 4.320 -0.000 0.000 0.210 230 A C 1.181 178.796 177.584 0.051 0.000 2.777 230 A CA 0.343 52.421 52.037 0.068 0.000 1.456 230 A CB -0.536 18.519 19.000 0.091 0.000 0.539 230 A HN 0.423 nan 8.150 nan 0.000 0.506 231 A N -0.768 122.080 122.820 0.047 0.000 2.508 231 A HA 0.680 5.000 4.320 -0.000 0.000 0.257 231 A C 0.845 178.443 177.584 0.025 0.000 1.226 231 A CA 1.102 53.154 52.037 0.025 0.000 0.947 231 A CB 0.058 19.064 19.000 0.010 0.000 1.079 231 A HN 0.676 nan 8.150 nan 0.000 0.531 232 S N -1.437 114.282 115.700 0.033 0.000 2.933 232 S HA 0.336 4.806 4.470 -0.000 0.000 0.236 232 S C -0.145 174.473 174.600 0.030 0.000 0.836 232 S CA 0.498 58.716 58.200 0.029 0.000 1.298 232 S CB 0.030 63.249 63.200 0.032 0.000 1.243 232 S HN 0.511 nan 8.310 nan 0.000 0.607 233 S N -0.085 115.635 115.700 0.034 0.000 2.761 233 S HA 0.693 5.163 4.470 -0.000 0.000 0.290 233 S C -0.944 173.675 174.600 0.032 0.000 1.222 233 S CA 0.461 58.679 58.200 0.031 0.000 0.954 233 S CB 1.237 64.458 63.200 0.035 0.000 1.281 233 S HN 0.179 nan 8.310 nan 0.000 0.527 234 S N 0.096 115.813 115.700 0.029 0.000 2.883 234 S HA 0.199 4.669 4.470 -0.000 0.000 0.227 234 S C 0.393 175.008 174.600 0.025 0.000 0.779 234 S CA 0.687 58.904 58.200 0.029 0.000 1.232 234 S CB -0.701 62.514 63.200 0.025 0.000 1.314 234 S HN 0.895 nan 8.310 nan 0.000 0.554 235 S N 0.622 116.335 115.700 0.021 0.000 2.535 235 S HA 0.324 4.794 4.470 -0.000 0.000 0.214 235 S C 1.189 175.793 174.600 0.007 0.000 0.980 235 S CA -0.149 58.058 58.200 0.012 0.000 0.907 235 S CB -0.380 62.823 63.200 0.005 0.000 0.790 235 S HN 0.515 nan 8.310 nan 0.000 0.510 236 L N 1.471 122.701 121.223 0.011 0.000 2.592 236 L HA 0.250 4.590 4.340 -0.000 0.000 0.227 236 L C 0.982 177.861 176.870 0.014 0.000 1.127 236 L CA 0.021 54.861 54.840 0.001 0.000 0.884 236 L CB -0.382 41.660 42.059 -0.027 0.000 1.065 236 L HN 0.293 nan 8.230 nan 0.000 0.457 237 E N 1.373 121.590 120.200 0.027 0.000 2.718 237 E HA 0.267 4.617 4.350 -0.000 0.000 0.263 237 E C -0.250 176.371 176.600 0.035 0.000 1.434 237 E CA 0.057 56.479 56.400 0.037 0.000 1.106 237 E CB 0.683 30.411 29.700 0.047 0.000 1.029 237 E HN 0.054 nan 8.360 nan 0.000 0.631 238 K N -1.318 119.109 120.400 0.045 0.000 3.191 238 K HA 0.194 4.514 4.320 -0.000 0.000 0.325 238 K C -1.671 174.970 176.600 0.069 0.000 1.105 238 K CA -0.259 56.057 56.287 0.047 0.000 0.843 238 K CB 1.340 33.860 32.500 0.032 0.000 1.452 238 K HN 0.453 nan 8.250 nan 0.000 0.393 239 S N -0.048 115.705 115.700 0.089 0.000 2.697 239 S HA 0.667 5.137 4.470 -0.000 0.000 0.289 239 S C -1.976 172.749 174.600 0.208 0.000 1.149 239 S CA -0.699 57.583 58.200 0.136 0.000 0.850 239 S CB 1.477 64.751 63.200 0.125 0.000 1.151 239 S HN 0.466 nan 8.310 nan 0.000 0.491 240 Y N 1.131 121.466 120.300 0.057 0.000 2.524 240 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 240 Y C -1.114 174.828 175.900 0.070 0.000 1.005 240 Y CA -1.372 56.758 58.100 0.050 0.000 1.025 240 Y CB 1.637 40.116 38.460 0.032 0.000 1.275 240 Y HN 0.664 nan 8.280 nan 0.000 0.460 241 E N 3.948 124.026 120.200 -0.203 0.000 2.014 241 E HA 0.403 4.753 4.350 -0.000 0.000 0.275 241 E C -1.501 174.815 176.600 -0.472 0.000 0.997 241 E CA -0.338 55.919 56.400 -0.237 0.000 0.804 241 E CB 0.028 29.650 29.700 -0.130 0.000 1.090 241 E HN 0.513 nan 8.360 nan 0.000 0.401 242 L N 6.550 127.617 121.223 -0.260 0.000 2.426 242 L HA 0.208 4.548 4.340 -0.000 0.000 0.271 242 L C -1.393 175.405 176.870 -0.120 0.000 1.169 242 L CA -1.469 53.265 54.840 -0.177 0.000 0.836 242 L CB 0.373 42.451 42.059 0.032 0.000 1.112 242 L HN 0.551 nan 8.230 nan 0.000 0.465 243 P HA -0.222 nan 4.420 nan 0.000 0.219 243 P C 0.519 177.801 177.300 -0.029 0.000 1.145 243 P CA 1.418 64.488 63.100 -0.050 0.000 0.813 243 P CB 0.073 31.764 31.700 -0.015 0.000 0.771 244 D N -3.179 117.209 120.400 -0.020 0.000 2.348 244 D HA 0.099 4.739 4.640 -0.000 0.000 0.211 244 D C 1.572 177.861 176.300 -0.019 0.000 0.998 244 D CA 0.904 54.895 54.000 -0.014 0.000 0.873 244 D CB -0.526 40.270 40.800 -0.007 0.000 0.925 244 D HN 0.230 nan 8.370 nan 0.000 0.524 245 G N 0.653 109.436 108.800 -0.028 0.000 3.400 245 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.209 245 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.209 245 G C 0.194 175.085 174.900 -0.014 0.000 1.411 245 G CA 0.036 45.121 45.100 -0.025 0.000 0.917 245 G HN 0.656 nan 8.290 nan 0.000 0.570 246 Q N 2.064 121.860 119.800 -0.007 0.000 2.804 246 Q HA 0.232 4.572 4.340 -0.000 0.000 0.334 246 Q C 0.817 176.838 176.000 0.034 0.000 1.105 246 Q CA 0.444 56.250 55.803 0.005 0.000 1.128 246 Q CB -0.053 28.680 28.738 -0.008 0.000 0.972 246 Q HN 1.476 nan 8.270 nan 0.000 0.403 247 V N 3.051 122.992 119.914 0.045 0.000 2.686 247 V HA 0.408 4.528 4.120 -0.000 0.000 0.295 247 V C 0.097 176.285 176.094 0.157 0.000 1.055 247 V CA -0.664 61.686 62.300 0.084 0.000 1.050 247 V CB 0.603 32.469 31.823 0.071 0.000 0.984 247 V HN 0.658 nan 8.190 nan 0.000 0.482 248 I N 1.413 122.126 120.570 0.238 0.000 2.354 248 I HA 0.674 4.844 4.170 -0.000 0.000 0.292 248 I C 0.147 176.431 176.117 0.277 0.000 0.989 248 I CA -0.240 61.282 61.300 0.370 0.000 1.188 248 I CB 1.534 39.819 38.000 0.475 0.000 1.342 248 I HN 0.552 nan 8.210 nan 0.000 0.457 249 T N 7.908 122.634 114.554 0.288 0.000 2.744 249 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 249 T C -0.138 174.667 174.700 0.174 0.000 0.957 249 T CA -0.233 61.981 62.100 0.189 0.000 1.002 249 T CB 0.544 69.501 68.868 0.147 0.000 0.919 249 T HN 0.682 nan 8.240 nan 0.000 0.468 250 I N 2.882 123.509 120.570 0.094 0.000 2.353 250 I HA 0.679 4.849 4.170 -0.000 0.000 0.293 250 I C 0.721 176.868 176.117 0.049 0.000 0.992 250 I CA -0.236 61.088 61.300 0.040 0.000 1.268 250 I CB 0.920 38.908 38.000 -0.020 0.000 1.387 250 I HN 0.669 nan 8.210 nan 0.000 0.478 251 G N 5.313 114.148 108.800 0.059 0.000 3.199 251 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.184 251 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.184 251 G C 0.534 175.480 174.900 0.076 0.000 1.974 251 G CA -0.067 45.074 45.100 0.068 0.000 0.885 251 G HN 0.780 nan 8.290 nan 0.000 0.575 252 N N 1.128 119.911 118.700 0.138 0.000 2.484 252 N HA 0.025 4.765 4.740 -0.000 0.000 0.245 252 N C 0.481 176.226 175.510 0.391 0.000 1.184 252 N CA 0.165 53.409 53.050 0.324 0.000 0.884 252 N CB 0.480 39.170 38.487 0.338 0.000 1.182 252 N HN 0.332 nan 8.380 nan 0.000 0.493 253 E N 1.562 121.870 120.200 0.180 0.000 2.065 253 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 253 E C 1.709 178.355 176.600 0.075 0.000 0.960 253 E CA 0.307 56.783 56.400 0.126 0.000 0.824 253 E CB -0.480 29.235 29.700 0.026 0.000 0.793 253 E HN 0.349 nan 8.360 nan 0.000 0.459 254 R N 0.636 121.069 120.500 -0.110 0.000 2.227 254 R HA -0.204 4.136 4.340 -0.000 0.000 0.259 254 R C 2.340 178.458 176.300 -0.304 0.000 1.139 254 R CA 2.483 58.399 56.100 -0.307 0.000 0.969 254 R CB -0.729 29.245 30.300 -0.542 0.000 0.903 254 R HN 0.410 nan 8.270 nan 0.000 0.452 255 F N -1.759 117.828 119.950 -0.605 0.000 2.695 255 F HA 0.309 4.836 4.527 -0.000 0.000 0.303 255 F C 2.014 177.844 175.800 0.050 0.000 1.091 255 F CA -0.693 57.083 58.000 -0.373 0.000 1.300 255 F CB 0.033 38.801 39.000 -0.387 0.000 1.071 255 F HN -0.185 nan 8.300 nan 0.000 0.578 256 R N 1.119 121.798 120.500 0.299 0.000 2.057 256 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 256 R C 2.538 178.999 176.300 0.268 0.000 1.136 256 R CA 2.144 58.433 56.100 0.316 0.000 0.952 256 R CB -0.627 29.813 30.300 0.232 0.000 0.848 256 R HN 0.632 nan 8.270 nan 0.000 0.430 257 C N 0.415 119.784 119.300 0.115 0.000 2.496 257 C HA 0.127 4.587 4.460 -0.000 0.000 0.281 257 C C -0.343 174.548 174.990 -0.166 0.000 1.250 257 C CA 0.507 59.499 59.018 -0.044 0.000 1.717 257 C CB -1.593 26.178 27.740 0.050 0.000 2.082 257 C HN 0.302 nan 8.230 nan 0.000 0.472 258 P HA -0.210 nan 4.420 nan 0.000 0.220 258 P C 1.142 178.441 177.300 -0.001 0.000 1.142 258 P CA 2.219 65.301 63.100 -0.030 0.000 0.801 258 P CB -0.296 31.332 31.700 -0.121 0.000 0.764 259 E N 0.552 120.639 120.200 -0.189 0.000 2.118 259 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 259 E C 2.083 178.402 176.600 -0.469 0.000 0.992 259 E CA 2.089 58.276 56.400 -0.355 0.000 0.804 259 E CB -1.391 27.990 29.700 -0.532 0.000 0.741 259 E HN 0.400 nan 8.360 nan 0.000 0.458 260 T N -0.845 113.339 114.554 -0.616 0.000 2.653 260 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 260 T C 2.044 176.586 174.700 -0.263 0.000 1.035 260 T CA 1.958 63.762 62.100 -0.494 0.000 1.154 260 T CB -0.759 67.930 68.868 -0.298 0.000 0.862 260 T HN 0.225 nan 8.240 nan 0.000 0.441 261 L N -0.299 120.794 121.223 -0.217 0.000 1.978 261 L HA -0.078 4.262 4.340 -0.000 0.000 0.218 261 L C 2.784 179.448 176.870 -0.342 0.000 1.075 261 L CA 2.126 56.765 54.840 -0.334 0.000 0.767 261 L CB -0.961 40.772 42.059 -0.543 0.000 0.890 261 L HN 0.215 nan 8.230 nan 0.000 0.434 262 F N -0.836 119.096 119.950 -0.031 0.000 2.146 262 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 262 F C 1.560 177.390 175.800 0.050 0.000 1.096 262 F CA 0.703 58.836 58.000 0.221 0.000 1.275 262 F CB -0.275 38.759 39.000 0.056 0.000 1.008 262 F HN 0.109 nan 8.300 nan 0.000 0.480 263 Q N 1.312 121.098 119.800 -0.023 0.000 2.569 263 Q HA 0.162 4.502 4.340 -0.000 0.000 0.226 263 Q C -2.026 173.862 176.000 -0.186 0.000 1.136 263 Q CA -1.520 54.173 55.803 -0.183 0.000 0.947 263 Q CB 0.928 29.278 28.738 -0.647 0.000 1.218 263 Q HN 0.146 nan 8.270 nan 0.000 0.547 264 P HA -0.213 nan 4.420 nan 0.000 0.215 264 P C 1.697 179.025 177.300 0.046 0.000 1.157 264 P CA 1.543 64.620 63.100 -0.039 0.000 0.863 264 P CB 0.187 31.870 31.700 -0.029 0.000 0.787 265 S N -0.391 115.371 115.700 0.102 0.000 2.426 265 S HA -0.340 4.130 4.470 -0.000 0.000 0.253 265 S C 1.796 176.566 174.600 0.283 0.000 1.104 265 S CA 1.940 60.249 58.200 0.181 0.000 1.158 265 S CB -2.092 61.235 63.200 0.211 0.000 1.043 265 S HN -0.070 nan 8.310 nan 0.000 0.443 266 F N 2.267 122.237 119.950 0.034 0.000 2.213 266 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 266 F C 1.633 177.590 175.800 0.261 0.000 1.036 266 F CA 1.459 59.506 58.000 0.077 0.000 1.335 266 F CB -0.720 38.117 39.000 -0.272 0.000 1.082 266 F HN 0.587 nan 8.300 nan 0.000 0.518 267 I N -4.511 116.261 120.570 0.337 0.000 3.083 267 I HA 0.579 4.749 4.170 -0.000 0.000 0.336 267 I C 1.145 177.350 176.117 0.147 0.000 1.497 267 I CA 0.294 61.747 61.300 0.255 0.000 0.936 267 I CB 0.470 38.613 38.000 0.238 0.000 1.671 267 I HN 0.086 nan 8.210 nan 0.000 0.535 268 G N 1.926 110.807 108.800 0.134 0.000 2.609 268 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.235 268 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.235 268 G C 0.645 175.593 174.900 0.080 0.000 1.177 268 G CA 0.339 45.492 45.100 0.089 0.000 0.707 268 G HN 0.419 nan 8.290 nan 0.000 0.513 269 M N 2.643 122.289 119.600 0.078 0.000 2.734 269 M HA -0.081 4.399 4.480 -0.000 0.000 0.486 269 M C 1.626 177.953 176.300 0.045 0.000 1.615 269 M CA 1.704 57.035 55.300 0.052 0.000 1.064 269 M CB -0.723 31.902 32.600 0.042 0.000 1.926 269 M HN 0.776 nan 8.290 nan 0.000 0.505 270 E N 0.303 120.524 120.200 0.036 0.000 2.520 270 E HA 0.042 4.392 4.350 -0.000 0.000 0.201 270 E C 0.163 176.774 176.600 0.018 0.000 1.122 270 E CA -0.031 56.388 56.400 0.031 0.000 0.896 270 E CB 0.022 29.738 29.700 0.027 0.000 0.891 270 E HN 0.386 nan 8.360 nan 0.000 0.533 271 S N 0.898 116.602 115.700 0.008 0.000 2.576 271 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 271 S C 0.185 174.769 174.600 -0.028 0.000 1.339 271 S CA -0.340 57.852 58.200 -0.013 0.000 1.039 271 S CB 0.944 64.129 63.200 -0.026 0.000 0.902 271 S HN 0.502 nan 8.310 nan 0.000 0.516 272 A N 2.672 125.470 122.820 -0.037 0.000 2.450 272 A HA 0.559 4.879 4.320 -0.000 0.000 0.255 272 A C 0.857 178.368 177.584 -0.122 0.000 1.096 272 A CA -0.224 51.780 52.037 -0.056 0.000 0.778 272 A CB -0.173 18.804 19.000 -0.038 0.000 1.031 272 A HN 0.885 nan 8.150 nan 0.000 0.494 273 G N 0.789 109.471 108.800 -0.197 0.000 2.527 273 G HA2 0.354 4.314 3.960 -0.000 0.000 0.248 273 G HA3 0.354 4.314 3.960 -0.000 0.000 0.248 273 G C 1.059 175.640 174.900 -0.532 0.000 1.231 273 G CA 0.015 44.892 45.100 -0.372 0.000 0.838 273 G HN 1.088 nan 8.290 nan 0.000 0.570 274 I N 0.752 121.032 120.570 -0.484 0.000 2.147 274 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 274 I C 2.540 178.461 176.117 -0.327 0.000 1.059 274 I CA 2.458 63.523 61.300 -0.391 0.000 1.320 274 I CB -0.106 37.624 38.000 -0.451 0.000 1.021 274 I HN 0.786 nan 8.210 nan 0.000 0.415 275 H N 0.005 119.008 119.070 -0.113 0.000 2.363 275 H HA -0.066 4.490 4.556 -0.000 0.000 0.301 275 H C 1.850 177.190 175.328 0.021 0.000 1.074 275 H CA 1.197 57.249 56.048 0.006 0.000 1.354 275 H CB -0.868 28.978 29.762 0.141 0.000 1.397 275 H HN 0.511 nan 8.280 nan 0.000 0.516 276 E N 0.818 120.773 120.200 -0.409 0.000 2.085 276 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 276 E C 2.414 179.008 176.600 -0.009 0.000 0.994 276 E CA 2.259 58.591 56.400 -0.113 0.000 0.801 276 E CB 0.036 29.627 29.700 -0.182 0.000 0.743 276 E HN 0.723 nan 8.360 nan 0.000 0.453 277 T N -0.773 113.719 114.554 -0.103 0.000 2.701 277 T HA -0.142 4.208 4.350 -0.000 0.000 0.263 277 T C 2.113 176.806 174.700 -0.012 0.000 1.040 277 T CA 1.681 63.752 62.100 -0.048 0.000 1.147 277 T CB -0.962 67.856 68.868 -0.083 0.000 0.865 277 T HN 0.013 nan 8.240 nan 0.000 0.426 278 T N 1.038 115.579 114.554 -0.022 0.000 2.714 278 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 278 T C 1.446 176.145 174.700 -0.003 0.000 1.036 278 T CA 1.833 63.919 62.100 -0.023 0.000 1.148 278 T CB -0.697 68.165 68.868 -0.010 0.000 0.856 278 T HN 0.469 nan 8.240 nan 0.000 0.462 279 Y N 3.745 123.996 120.300 -0.082 0.000 2.113 279 Y HA -0.182 4.368 4.550 -0.000 0.000 0.269 279 Y C 2.484 178.355 175.900 -0.049 0.000 1.098 279 Y CA 1.683 59.746 58.100 -0.061 0.000 1.083 279 Y CB -0.719 37.748 38.460 0.011 0.000 0.997 279 Y HN 0.300 nan 8.280 nan 0.000 0.476 280 N N -0.326 118.429 118.700 0.092 0.000 2.060 280 N HA -0.293 4.447 4.740 -0.000 0.000 0.195 280 N C 2.160 177.631 175.510 -0.066 0.000 1.028 280 N CA 1.656 54.694 53.050 -0.020 0.000 0.861 280 N CB -1.025 37.486 38.487 0.040 0.000 1.029 280 N HN 0.438 nan 8.380 nan 0.000 0.428 281 S N 1.714 117.385 115.700 -0.048 0.000 2.389 281 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 281 S C 2.101 176.651 174.600 -0.083 0.000 1.048 281 S CA 1.382 59.546 58.200 -0.060 0.000 1.117 281 S CB -0.561 62.603 63.200 -0.060 0.000 1.020 281 S HN 0.368 nan 8.310 nan 0.000 0.430 282 I N 1.588 122.085 120.570 -0.122 0.000 2.151 282 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 282 I C 2.241 178.296 176.117 -0.104 0.000 1.080 282 I CA 1.505 62.723 61.300 -0.136 0.000 1.339 282 I CB -0.283 37.561 38.000 -0.261 0.000 1.039 282 I HN 0.401 nan 8.210 nan 0.000 0.409 283 M N -0.158 119.355 119.600 -0.146 0.000 2.623 283 M HA -0.156 4.324 4.480 -0.000 0.000 0.258 283 M C 1.748 178.007 176.300 -0.067 0.000 1.067 283 M CA 1.286 56.516 55.300 -0.118 0.000 1.068 283 M CB -1.178 31.312 32.600 -0.183 0.000 1.409 283 M HN 0.151 nan 8.290 nan 0.000 0.504 284 K N 0.494 120.859 120.400 -0.058 0.000 2.128 284 K HA 0.054 4.374 4.320 -0.000 0.000 0.202 284 K C 1.131 177.718 176.600 -0.023 0.000 1.050 284 K CA 0.627 56.892 56.287 -0.036 0.000 0.966 284 K CB -0.374 32.108 32.500 -0.030 0.000 0.759 284 K HN 0.570 nan 8.250 nan 0.000 0.454 285 C N 1.702 120.988 119.300 -0.024 0.000 2.500 285 C HA 0.361 4.821 4.460 -0.000 0.000 0.367 285 C C 0.780 175.767 174.990 -0.006 0.000 1.283 285 C CA -1.846 57.163 59.018 -0.014 0.000 2.456 285 C CB 0.217 27.945 27.740 -0.021 0.000 2.457 285 C HN 0.520 nan 8.230 nan 0.000 0.632 286 D N 0.087 120.484 120.400 -0.005 0.000 2.515 286 D HA -0.081 4.559 4.640 -0.000 0.000 0.230 286 D C 0.949 177.264 176.300 0.024 0.000 1.181 286 D CA 0.248 54.250 54.000 0.003 0.000 0.875 286 D CB 0.423 41.219 40.800 -0.008 0.000 1.213 286 D HN 0.555 nan 8.370 nan 0.000 0.478 287 I N 1.219 121.804 120.570 0.026 0.000 2.202 287 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 287 I C 1.473 177.625 176.117 0.059 0.000 1.091 287 I CA 0.957 62.282 61.300 0.041 0.000 1.368 287 I CB -0.433 37.582 38.000 0.025 0.000 1.058 287 I HN 0.488 nan 8.210 nan 0.000 0.410 288 D N 1.086 121.516 120.400 0.050 0.000 2.369 288 D HA -0.201 4.439 4.640 -0.000 0.000 0.213 288 D C 1.797 178.164 176.300 0.112 0.000 0.982 288 D CA 1.296 55.336 54.000 0.066 0.000 0.931 288 D CB -0.200 40.631 40.800 0.052 0.000 0.889 288 D HN 0.623 nan 8.370 nan 0.000 0.487 289 I N -3.813 116.836 120.570 0.133 0.000 4.139 289 I HA 0.172 4.342 4.170 -0.000 0.000 0.320 289 I C 1.775 178.002 176.117 0.183 0.000 1.290 289 I CA -0.355 61.069 61.300 0.206 0.000 1.253 289 I CB 0.147 38.307 38.000 0.267 0.000 1.122 289 I HN -0.260 nan 8.210 nan 0.000 0.421 290 R N 2.086 122.690 120.500 0.174 0.000 2.159 290 R HA -0.194 4.146 4.340 -0.000 0.000 0.252 290 R C 2.019 178.533 176.300 0.357 0.000 1.144 290 R CA 1.769 58.035 56.100 0.277 0.000 0.961 290 R CB -0.763 29.713 30.300 0.293 0.000 0.877 290 R HN 0.363 nan 8.270 nan 0.000 0.444 291 K N 1.000 121.500 120.400 0.167 0.000 2.015 291 K HA -0.191 4.129 4.320 -0.000 0.000 0.220 291 K C 1.672 178.373 176.600 0.168 0.000 1.055 291 K CA 1.779 58.124 56.287 0.097 0.000 0.951 291 K CB -0.747 31.779 32.500 0.042 0.000 0.725 291 K HN 0.354 nan 8.250 nan 0.000 0.449 292 D N 0.743 121.224 120.400 0.135 0.000 2.219 292 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 292 D C 2.146 178.523 176.300 0.128 0.000 0.970 292 D CA 0.501 54.565 54.000 0.106 0.000 0.851 292 D CB 0.002 40.836 40.800 0.056 0.000 0.943 292 D HN 0.138 nan 8.370 nan 0.000 0.488 293 L N 0.105 121.427 121.223 0.165 0.000 1.970 293 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 293 L C 2.539 179.460 176.870 0.086 0.000 1.071 293 L CA 1.476 56.373 54.840 0.095 0.000 0.751 293 L CB -0.679 41.410 42.059 0.050 0.000 0.889 293 L HN 0.071 nan 8.230 nan 0.000 0.432 294 Y N -0.307 120.019 120.300 0.044 0.000 2.114 294 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 294 Y C 2.558 178.483 175.900 0.042 0.000 1.165 294 Y CA 1.206 59.337 58.100 0.051 0.000 1.148 294 Y CB -0.570 37.923 38.460 0.053 0.000 0.972 294 Y HN 0.209 nan 8.280 nan 0.000 0.504 295 A N -0.490 122.461 122.820 0.218 0.000 2.216 295 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 295 A C 0.785 178.419 177.584 0.082 0.000 1.160 295 A CA 1.119 53.228 52.037 0.121 0.000 0.725 295 A CB -0.356 18.696 19.000 0.086 0.000 0.784 295 A HN 0.462 nan 8.150 nan 0.000 0.472 296 N N 1.003 119.750 118.700 0.078 0.000 2.664 296 N HA 0.059 4.799 4.740 -0.000 0.000 0.287 296 N C -1.383 174.148 175.510 0.035 0.000 1.869 296 N CA -0.228 52.851 53.050 0.048 0.000 0.832 296 N CB 0.387 38.896 38.487 0.037 0.000 1.293 296 N HN 0.243 nan 8.380 nan 0.000 0.498 297 N N 1.433 120.154 118.700 0.035 0.000 2.739 297 N HA 0.084 4.824 4.740 -0.000 0.000 0.266 297 N C 0.308 175.830 175.510 0.020 0.000 1.168 297 N CA 0.169 53.231 53.050 0.019 0.000 1.055 297 N CB 1.136 39.637 38.487 0.023 0.000 1.393 297 N HN 0.069 nan 8.380 nan 0.000 0.514 298 V N 2.140 122.065 119.914 0.018 0.000 3.003 298 V HA 0.308 4.428 4.120 -0.000 0.000 0.305 298 V C 0.832 176.931 176.094 0.008 0.000 1.078 298 V CA -0.144 62.168 62.300 0.019 0.000 1.083 298 V CB 1.073 32.912 31.823 0.027 0.000 1.039 298 V HN 0.431 nan 8.190 nan 0.000 0.481 299 M N 2.278 121.882 119.600 0.006 0.000 2.591 299 M HA 0.511 4.991 4.480 -0.000 0.000 0.306 299 M C -0.570 175.723 176.300 -0.012 0.000 1.190 299 M CA -0.261 55.033 55.300 -0.010 0.000 0.889 299 M CB 2.243 34.837 32.600 -0.011 0.000 1.728 299 M HN 0.667 nan 8.290 nan 0.000 0.458 300 S N 0.394 116.075 115.700 -0.031 0.000 2.536 300 S HA 0.747 5.217 4.470 -0.000 0.000 0.287 300 S C 0.116 174.682 174.600 -0.057 0.000 1.101 300 S CA 0.006 58.188 58.200 -0.029 0.000 0.950 300 S CB 1.543 64.727 63.200 -0.027 0.000 1.056 300 S HN 1.008 nan 8.310 nan 0.000 0.481 301 G N 2.781 111.558 108.800 -0.039 0.000 3.586 301 G HA2 0.176 4.136 3.960 -0.000 0.000 0.989 301 G HA3 0.176 4.136 3.960 -0.000 0.000 0.989 301 G C 1.058 175.891 174.900 -0.112 0.000 1.362 301 G CA 0.327 45.393 45.100 -0.056 0.000 0.932 301 G HN 2.079 nan 8.290 nan 0.000 0.563 302 G N -0.902 107.827 108.800 -0.118 0.000 2.651 302 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.315 302 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.315 302 G C 1.504 176.227 174.900 -0.295 0.000 1.258 302 G CA 1.803 46.809 45.100 -0.156 0.000 1.002 302 G HN 1.914 nan 8.290 nan 0.000 0.551 303 T N 1.544 115.874 114.554 -0.374 0.000 2.987 303 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 303 T C 2.300 176.583 174.700 -0.696 0.000 1.158 303 T CA 2.841 64.541 62.100 -0.666 0.000 1.094 303 T CB -0.712 67.966 68.868 -0.317 0.000 0.818 303 T HN 1.221 nan 8.240 nan 0.000 0.574 304 T N -0.707 113.597 114.554 -0.417 0.000 3.015 304 T HA 0.263 4.613 4.350 -0.000 0.000 0.250 304 T C 1.088 175.672 174.700 -0.192 0.000 1.057 304 T CA -0.241 61.708 62.100 -0.252 0.000 1.066 304 T CB -0.261 68.520 68.868 -0.144 0.000 0.959 304 T HN 0.536 nan 8.240 nan 0.000 0.488 305 M N 0.955 120.421 119.600 -0.223 0.000 3.428 305 M HA 0.525 5.005 4.480 -0.000 0.000 0.229 305 M C -1.661 174.618 176.300 -0.036 0.000 1.299 305 M CA -0.903 54.344 55.300 -0.089 0.000 1.405 305 M CB -0.161 32.417 32.600 -0.036 0.000 1.119 305 M HN -0.112 nan 8.290 nan 0.000 0.613 306 Y N 0.757 121.082 120.300 0.043 0.000 2.360 306 Y HA 0.662 5.212 4.550 -0.000 0.000 0.337 306 Y C -2.424 173.519 175.900 0.072 0.000 1.039 306 Y CA -2.901 55.229 58.100 0.050 0.000 1.109 306 Y CB 1.054 39.550 38.460 0.060 0.000 1.201 306 Y HN 0.427 nan 8.280 nan 0.000 0.458 307 P HA 0.174 nan 4.420 nan 0.000 0.266 307 P C 0.540 177.961 177.300 0.201 0.000 1.195 307 P CA 1.398 64.600 63.100 0.170 0.000 0.768 307 P CB 0.641 32.422 31.700 0.134 0.000 0.838 308 G N 2.705 111.584 108.800 0.131 0.000 2.157 308 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 308 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 308 G C 0.572 175.546 174.900 0.125 0.000 0.979 308 G CA 0.156 45.325 45.100 0.115 0.000 0.650 308 G HN 0.609 nan 8.290 nan 0.000 0.529 309 I N -0.152 120.515 120.570 0.162 0.000 3.708 309 I HA 0.442 4.612 4.170 -0.000 0.000 0.302 309 I C 2.358 178.566 176.117 0.151 0.000 1.255 309 I CA 1.630 63.054 61.300 0.206 0.000 1.362 309 I CB -0.578 37.594 38.000 0.288 0.000 1.100 309 I HN 0.283 nan 8.210 nan 0.000 0.434 310 A N 2.352 125.229 122.820 0.096 0.000 1.859 310 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 310 A C 1.681 179.299 177.584 0.058 0.000 1.209 310 A CA 2.719 54.796 52.037 0.066 0.000 0.639 310 A CB -1.032 17.994 19.000 0.044 0.000 0.835 310 A HN 0.657 nan 8.150 nan 0.000 0.450 311 D N -1.824 118.597 120.400 0.035 0.000 2.354 311 D HA -0.008 4.632 4.640 -0.000 0.000 0.209 311 D C 1.740 178.030 176.300 -0.017 0.000 1.015 311 D CA 0.786 54.792 54.000 0.011 0.000 0.867 311 D CB -0.386 40.412 40.800 -0.002 0.000 0.933 311 D HN 0.359 nan 8.370 nan 0.000 0.520 312 R N 0.602 121.084 120.500 -0.029 0.000 2.075 312 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 312 R C 1.780 178.001 176.300 -0.131 0.000 1.126 312 R CA 1.045 57.054 56.100 -0.152 0.000 0.963 312 R CB -0.909 29.259 30.300 -0.221 0.000 0.858 312 R HN 0.248 nan 8.270 nan 0.000 0.435 313 M N 0.751 120.400 119.600 0.082 0.000 2.697 313 M HA -0.165 4.315 4.480 -0.000 0.000 0.276 313 M C 2.040 178.386 176.300 0.075 0.000 1.078 313 M CA 2.538 57.966 55.300 0.214 0.000 1.079 313 M CB -1.084 31.642 32.600 0.209 0.000 1.207 313 M HN 0.308 nan 8.290 nan 0.000 0.506 314 Q N 0.390 120.229 119.800 0.066 0.000 2.263 314 Q HA -0.381 3.959 4.340 -0.000 0.000 0.221 314 Q C 1.862 177.871 176.000 0.015 0.000 1.071 314 Q CA 3.573 59.402 55.803 0.043 0.000 0.966 314 Q CB -0.771 27.985 28.738 0.029 0.000 1.094 314 Q HN 0.652 nan 8.270 nan 0.000 0.454 315 K N -0.667 119.717 120.400 -0.027 0.000 1.969 315 K HA -0.234 4.086 4.320 -0.000 0.000 0.216 315 K C 1.924 178.483 176.600 -0.069 0.000 1.048 315 K CA 1.698 57.950 56.287 -0.059 0.000 0.948 315 K CB -0.301 32.134 32.500 -0.108 0.000 0.726 315 K HN 0.301 nan 8.250 nan 0.000 0.442 316 E N 0.961 121.090 120.200 -0.118 0.000 2.049 316 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 316 E C 2.203 178.768 176.600 -0.058 0.000 1.007 316 E CA 1.546 57.854 56.400 -0.154 0.000 0.809 316 E CB -0.320 29.199 29.700 -0.302 0.000 0.749 316 E HN 0.448 nan 8.360 nan 0.000 0.450 317 I N 1.175 121.759 120.570 0.024 0.000 2.099 317 I HA -0.223 3.947 4.170 -0.000 0.000 0.239 317 I C 2.371 178.526 176.117 0.065 0.000 1.066 317 I CA 1.567 62.909 61.300 0.070 0.000 1.324 317 I CB -1.838 36.234 38.000 0.120 0.000 1.037 317 I HN 0.075 nan 8.210 nan 0.000 0.401 318 T N 1.462 116.054 114.554 0.064 0.000 2.822 318 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 318 T C 2.006 176.724 174.700 0.031 0.000 1.064 318 T CA 1.404 63.544 62.100 0.067 0.000 1.131 318 T CB -0.368 68.525 68.868 0.042 0.000 0.858 318 T HN 0.509 nan 8.240 nan 0.000 0.483 319 A N 1.764 124.575 122.820 -0.014 0.000 1.825 319 A HA 0.055 4.375 4.320 -0.000 0.000 0.214 319 A C 2.294 179.833 177.584 -0.074 0.000 1.206 319 A CA 1.150 53.160 52.037 -0.045 0.000 0.609 319 A CB -0.930 18.025 19.000 -0.074 0.000 0.851 319 A HN 0.451 nan 8.150 nan 0.000 0.445 320 L N -0.160 120.958 121.223 -0.175 0.000 2.013 320 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 320 L C 1.886 178.602 176.870 -0.257 0.000 1.073 320 L CA 0.668 55.257 54.840 -0.419 0.000 0.753 320 L CB -1.175 40.334 42.059 -0.917 0.000 0.890 320 L HN 0.417 nan 8.230 nan 0.000 0.432 321 A N 0.105 122.935 122.820 0.017 0.000 2.466 321 A HA 0.272 4.592 4.320 -0.000 0.000 0.238 321 A C -2.058 175.652 177.584 0.210 0.000 1.074 321 A CA -0.922 51.365 52.037 0.417 0.000 0.774 321 A CB -0.622 18.664 19.000 0.476 0.000 1.015 321 A HN 0.018 nan 8.150 nan 0.000 0.498 322 P HA 0.060 nan 4.420 nan 0.000 0.270 322 P C 0.008 177.322 177.300 0.024 0.000 1.227 322 P CA 0.231 63.369 63.100 0.063 0.000 0.788 322 P CB 0.383 32.082 31.700 -0.002 0.000 0.926 323 S N -1.211 114.496 115.700 0.012 0.000 3.208 323 S HA 0.351 4.821 4.470 -0.000 0.000 0.195 323 S C 0.400 174.994 174.600 -0.009 0.000 1.394 323 S CA -0.066 58.137 58.200 0.004 0.000 1.127 323 S CB -0.706 62.498 63.200 0.008 0.000 1.282 323 S HN 0.592 nan 8.310 nan 0.000 0.513 324 T N 0.266 114.806 114.554 -0.024 0.000 4.722 324 T HA 0.184 4.534 4.350 -0.000 0.000 0.321 324 T C -0.706 173.958 174.700 -0.059 0.000 0.886 324 T CA -0.254 61.826 62.100 -0.033 0.000 0.714 324 T CB -0.382 68.468 68.868 -0.031 0.000 0.929 324 T HN 0.421 nan 8.240 nan 0.000 0.537 325 M N 3.821 123.378 119.600 -0.073 0.000 2.268 325 M HA 0.548 5.028 4.480 -0.000 0.000 0.344 325 M C -0.220 176.047 176.300 -0.055 0.000 1.106 325 M CA -0.811 54.411 55.300 -0.129 0.000 1.010 325 M CB 1.274 33.727 32.600 -0.244 0.000 1.649 325 M HN 0.180 nan 8.290 nan 0.000 0.443 326 K N 4.801 125.176 120.400 -0.041 0.000 2.382 326 K HA 0.268 4.588 4.320 -0.000 0.000 0.275 326 K C -0.501 176.142 176.600 0.073 0.000 1.009 326 K CA -0.213 56.084 56.287 0.017 0.000 0.970 326 K CB 0.770 33.283 32.500 0.022 0.000 0.934 326 K HN 0.691 nan 8.250 nan 0.000 0.479 327 I N 1.055 121.680 120.570 0.092 0.000 3.578 327 I HA 0.060 4.230 4.170 -0.000 0.000 0.321 327 I C -0.049 176.132 176.117 0.107 0.000 1.510 327 I CA -0.481 60.906 61.300 0.145 0.000 1.002 327 I CB 0.057 38.144 38.000 0.146 0.000 1.427 327 I HN 0.775 nan 8.210 nan 0.000 0.575 328 K N 2.697 123.145 120.400 0.081 0.000 2.477 328 K HA 0.067 4.387 4.320 -0.000 0.000 0.275 328 K C -0.300 176.337 176.600 0.062 0.000 1.054 328 K CA 0.685 57.007 56.287 0.059 0.000 1.135 328 K CB 0.526 33.054 32.500 0.047 0.000 0.854 328 K HN 0.270 nan 8.250 nan 0.000 0.484 329 I N 7.239 127.840 120.570 0.052 0.000 2.460 329 I HA 0.107 4.277 4.170 -0.000 0.000 0.277 329 I C -0.246 175.893 176.117 0.038 0.000 1.057 329 I CA -0.959 60.370 61.300 0.049 0.000 1.179 329 I CB 0.718 38.752 38.000 0.057 0.000 1.329 329 I HN 0.503 nan 8.210 nan 0.000 0.478 330 I N 4.760 125.350 120.570 0.033 0.000 3.246 330 I HA 0.240 4.410 4.170 -0.000 0.000 0.280 330 I C 0.847 176.979 176.117 0.025 0.000 1.239 330 I CA 0.383 61.699 61.300 0.027 0.000 1.336 330 I CB 0.433 38.448 38.000 0.026 0.000 1.383 330 I HN 0.653 nan 8.210 nan 0.000 0.617 331 A N 2.898 125.731 122.820 0.022 0.000 2.001 331 A HA 0.485 4.805 4.320 -0.000 0.000 0.259 331 A C -2.279 175.317 177.584 0.020 0.000 1.410 331 A CA -0.965 51.084 52.037 0.020 0.000 1.208 331 A CB -1.198 17.815 19.000 0.022 0.000 1.163 331 A HN 0.523 nan 8.150 nan 0.000 0.651 332 P HA -0.024 nan 4.420 nan 0.000 0.277 332 P C -1.560 175.750 177.300 0.017 0.000 1.276 332 P CA -0.275 62.839 63.100 0.024 0.000 0.870 332 P CB 0.221 31.942 31.700 0.035 0.000 0.921 333 P HA -0.157 nan 4.420 nan 0.000 0.211 333 P C 0.158 177.453 177.300 -0.008 0.000 1.181 333 P CA 1.776 64.873 63.100 -0.005 0.000 0.929 333 P CB -0.076 31.617 31.700 -0.012 0.000 0.789 334 E N -0.765 119.431 120.200 -0.006 0.000 3.117 334 E HA 0.083 4.433 4.350 -0.000 0.000 0.262 334 E C 0.464 177.119 176.600 0.091 0.000 1.202 334 E CA -0.448 55.959 56.400 0.011 0.000 0.853 334 E CB 0.008 29.662 29.700 -0.076 0.000 1.426 334 E HN 0.251 nan 8.360 nan 0.000 0.387 335 R N 2.072 122.617 120.500 0.075 0.000 2.332 335 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 335 R C 1.249 177.614 176.300 0.108 0.000 1.160 335 R CA 1.557 57.707 56.100 0.083 0.000 1.020 335 R CB -0.823 29.499 30.300 0.036 0.000 0.859 335 R HN 0.285 nan 8.270 nan 0.000 0.478 336 K N -0.656 119.834 120.400 0.149 0.000 2.665 336 K HA -0.092 4.228 4.320 -0.000 0.000 0.196 336 K C -0.274 176.426 176.600 0.166 0.000 1.021 336 K CA 0.853 57.215 56.287 0.125 0.000 1.066 336 K CB 0.041 32.628 32.500 0.144 0.000 0.849 336 K HN 0.307 nan 8.250 nan 0.000 0.500 337 Y N -1.441 118.856 120.300 -0.004 0.000 2.861 337 Y HA 0.131 4.681 4.550 -0.000 0.000 0.284 337 Y C 1.775 177.749 175.900 0.124 0.000 1.006 337 Y CA -0.599 57.527 58.100 0.044 0.000 1.245 337 Y CB 0.193 38.648 38.460 -0.010 0.000 1.415 337 Y HN 0.116 nan 8.280 nan 0.000 0.586 338 S N 0.332 116.155 115.700 0.205 0.000 2.414 338 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 338 S C 2.275 176.955 174.600 0.132 0.000 1.041 338 S CA 2.300 60.585 58.200 0.141 0.000 1.114 338 S CB -0.717 62.528 63.200 0.075 0.000 1.064 338 S HN 0.355 nan 8.310 nan 0.000 0.420 339 V N 0.497 120.460 119.914 0.082 0.000 2.250 339 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 339 V C 1.832 177.979 176.094 0.087 0.000 1.060 339 V CA 2.850 65.175 62.300 0.042 0.000 1.030 339 V CB -0.813 31.013 31.823 0.006 0.000 0.643 339 V HN 0.837 nan 8.190 nan 0.000 0.445 340 W N 0.079 121.365 121.300 -0.023 0.000 2.335 340 W HA -0.186 4.474 4.660 -0.000 0.000 0.311 340 W C 2.232 178.772 176.519 0.034 0.000 1.213 340 W CA 2.343 59.682 57.345 -0.010 0.000 1.274 340 W CB -0.257 29.190 29.460 -0.021 0.000 1.148 340 W HN 0.279 nan 8.180 nan 0.000 0.498 341 I N 0.807 121.692 120.570 0.525 0.000 2.069 341 I HA -0.315 3.855 4.170 -0.000 0.000 0.237 341 I C 2.675 178.797 176.117 0.007 0.000 1.053 341 I CA 1.971 63.489 61.300 0.362 0.000 1.311 341 I CB -1.326 36.872 38.000 0.331 0.000 1.030 341 I HN 0.223 nan 8.210 nan 0.000 0.398 342 G N 0.110 108.929 108.800 0.032 0.000 2.507 342 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.221 342 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.221 342 G C 1.608 176.450 174.900 -0.098 0.000 1.119 342 G CA 0.989 46.091 45.100 0.004 0.000 0.751 342 G HN 0.564 nan 8.290 nan 0.000 0.574 343 G N 0.160 108.832 108.800 -0.213 0.000 2.446 343 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 343 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 343 G C 2.007 176.673 174.900 -0.390 0.000 1.168 343 G CA 1.436 46.338 45.100 -0.330 0.000 0.771 343 G HN 0.509 nan 8.290 nan 0.000 0.551 344 S N -0.425 114.930 115.700 -0.576 0.000 2.515 344 S HA 0.126 4.596 4.470 -0.000 0.000 0.231 344 S C 2.173 176.671 174.600 -0.170 0.000 0.987 344 S CA 0.264 58.212 58.200 -0.419 0.000 0.936 344 S CB -0.215 62.689 63.200 -0.494 0.000 0.766 344 S HN 0.388 nan 8.310 nan 0.000 0.528 345 I N 0.440 120.929 120.570 -0.135 0.000 2.260 345 I HA 0.017 4.187 4.170 -0.000 0.000 0.237 345 I C 1.803 177.864 176.117 -0.095 0.000 1.075 345 I CA 0.436 61.691 61.300 -0.076 0.000 1.376 345 I CB -0.337 37.639 38.000 -0.040 0.000 1.107 345 I HN 0.259 nan 8.210 nan 0.000 0.420 346 L N 0.935 122.105 121.223 -0.088 0.000 2.814 346 L HA -0.069 4.271 4.340 -0.000 0.000 0.248 346 L C 1.364 178.151 176.870 -0.137 0.000 1.169 346 L CA 1.289 56.042 54.840 -0.145 0.000 0.872 346 L CB -0.860 41.185 42.059 -0.023 0.000 1.029 346 L HN 0.269 nan 8.230 nan 0.000 0.452 347 A N -2.506 120.261 122.820 -0.089 0.000 1.937 347 A HA 0.098 4.418 4.320 -0.000 0.000 0.198 347 A C 2.052 179.650 177.584 0.024 0.000 1.635 347 A CA 0.499 52.516 52.037 -0.034 0.000 1.111 347 A CB -0.383 18.640 19.000 0.039 0.000 1.165 347 A HN 0.415 nan 8.150 nan 0.000 0.460 348 S N 0.239 115.942 115.700 0.005 0.000 2.423 348 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 348 S C 1.446 176.051 174.600 0.008 0.000 1.014 348 S CA 1.266 59.481 58.200 0.026 0.000 0.965 348 S CB -0.474 62.736 63.200 0.018 0.000 0.785 348 S HN 0.634 nan 8.310 nan 0.000 0.495 349 L N 2.438 123.643 121.223 -0.031 0.000 2.786 349 L HA 0.184 4.524 4.340 -0.000 0.000 0.250 349 L C 1.458 178.321 176.870 -0.012 0.000 1.151 349 L CA 0.371 55.179 54.840 -0.053 0.000 0.910 349 L CB -1.683 40.291 42.059 -0.141 0.000 1.082 349 L HN 0.558 nan 8.230 nan 0.000 0.433 350 S N 0.011 115.723 115.700 0.019 0.000 3.905 350 S HA -0.537 3.933 4.470 -0.000 0.000 0.537 350 S C 2.008 176.637 174.600 0.048 0.000 0.934 350 S CA 4.476 62.703 58.200 0.044 0.000 3.401 350 S CB -1.669 61.559 63.200 0.046 0.000 2.340 350 S HN 1.018 nan 8.310 nan 0.000 0.480 351 T N -0.352 114.234 114.554 0.054 0.000 2.708 351 T HA -0.370 3.980 4.350 -0.000 0.000 0.227 351 T C 1.344 176.089 174.700 0.075 0.000 1.277 351 T CA 2.997 65.138 62.100 0.068 0.000 1.075 351 T CB -1.824 67.101 68.868 0.095 0.000 0.791 351 T HN 0.612 nan 8.240 nan 0.000 0.495 352 F N 3.050 122.918 119.950 -0.137 0.000 2.411 352 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 352 F C 2.759 178.372 175.800 -0.313 0.000 1.077 352 F CA 0.983 58.861 58.000 -0.204 0.000 1.439 352 F CB -0.832 38.038 39.000 -0.216 0.000 1.085 352 F HN 0.392 nan 8.300 nan 0.000 0.564 353 Q N 0.705 120.410 119.800 -0.159 0.000 2.421 353 Q HA -0.290 4.050 4.340 -0.000 0.000 0.215 353 Q C 1.298 177.143 176.000 -0.258 0.000 0.994 353 Q CA 1.447 57.078 55.803 -0.288 0.000 0.909 353 Q CB -0.367 28.380 28.738 0.016 0.000 0.920 353 Q HN 0.497 nan 8.270 nan 0.000 0.451 354 Q N -0.871 118.792 119.800 -0.228 0.000 2.265 354 Q HA 0.114 4.454 4.340 -0.000 0.000 0.217 354 Q C 0.825 176.669 176.000 -0.260 0.000 0.916 354 Q CA -0.049 55.645 55.803 -0.181 0.000 0.948 354 Q CB 0.224 28.858 28.738 -0.172 0.000 1.020 354 Q HN 0.372 nan 8.270 nan 0.000 0.462 355 M N -1.508 117.862 119.600 -0.382 0.000 2.306 355 M HA 0.145 4.625 4.480 -0.000 0.000 0.292 355 M C -0.532 175.580 176.300 -0.314 0.000 1.018 355 M CA -0.131 54.876 55.300 -0.487 0.000 1.007 355 M CB 0.732 32.885 32.600 -0.744 0.000 1.510 355 M HN 0.211 nan 8.290 nan 0.000 0.537 356 W N 1.464 122.700 121.300 -0.106 0.000 2.129 356 W HA 0.294 4.954 4.660 0.000 0.000 0.349 356 W C 0.034 176.589 176.519 0.061 0.000 1.279 356 W CA -0.710 56.643 57.345 0.012 0.000 1.306 356 W CB 0.870 30.351 29.460 0.035 0.000 1.140 356 W HN -0.099 nan 8.180 nan 0.000 0.613 357 I N 2.538 123.391 120.570 0.472 0.000 2.466 357 I HA 0.122 4.292 4.170 -0.000 0.000 0.279 357 I C -0.163 176.121 176.117 0.278 0.000 1.033 357 I CA -0.614 60.880 61.300 0.323 0.000 1.123 357 I CB 0.373 38.604 38.000 0.385 0.000 1.237 357 I HN 0.280 nan 8.210 nan 0.000 0.460 358 T N 4.397 119.028 114.554 0.128 0.000 2.918 358 T HA 0.067 4.417 4.350 -0.000 0.000 0.302 358 T C 1.314 175.960 174.700 -0.091 0.000 1.045 358 T CA -0.465 61.672 62.100 0.061 0.000 1.114 358 T CB 1.694 70.578 68.868 0.026 0.000 0.965 358 T HN 0.566 nan 8.240 nan 0.000 0.540 359 K N 2.028 122.404 120.400 -0.039 0.000 2.127 359 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 359 K C 1.960 178.452 176.600 -0.180 0.000 1.047 359 K CA 1.751 57.898 56.287 -0.233 0.000 0.927 359 K CB -0.308 32.262 32.500 0.116 0.000 0.716 359 K HN 0.525 nan 8.250 nan 0.000 0.450 360 Q N 0.895 120.642 119.800 -0.088 0.000 1.858 360 Q HA -0.224 4.116 4.340 -0.000 0.000 0.240 360 Q C 1.894 177.828 176.000 -0.110 0.000 1.014 360 Q CA 2.696 58.452 55.803 -0.078 0.000 0.884 360 Q CB -0.429 28.285 28.738 -0.041 0.000 0.957 360 Q HN 0.550 nan 8.270 nan 0.000 0.419 361 E N -0.800 119.353 120.200 -0.078 0.000 2.200 361 E HA -0.335 4.015 4.350 -0.000 0.000 0.211 361 E C 1.915 178.458 176.600 -0.096 0.000 1.048 361 E CA 1.723 58.086 56.400 -0.062 0.000 0.851 361 E CB -0.623 29.069 29.700 -0.014 0.000 0.747 361 E HN 0.432 nan 8.360 nan 0.000 0.462 362 Y N 2.445 122.542 120.300 -0.338 0.000 2.114 362 Y HA -0.208 4.342 4.550 0.000 0.000 0.284 362 Y C 1.829 177.575 175.900 -0.257 0.000 1.143 362 Y CA 1.886 59.736 58.100 -0.416 0.000 1.135 362 Y CB -0.388 37.471 38.460 -1.001 0.000 0.980 362 Y HN -0.099 nan 8.280 nan 0.000 0.499 363 D N 0.113 120.202 120.400 -0.518 0.000 2.190 363 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 363 D C 1.823 177.921 176.300 -0.336 0.000 0.992 363 D CA 1.761 55.473 54.000 -0.479 0.000 0.854 363 D CB 0.000 40.658 40.800 -0.237 0.000 0.936 363 D HN 0.525 nan 8.370 nan 0.000 0.462 364 E N -0.134 119.925 120.200 -0.235 0.000 2.086 364 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 364 E C 1.848 178.365 176.600 -0.139 0.000 0.975 364 E CA 0.987 57.296 56.400 -0.153 0.000 0.813 364 E CB -0.034 29.607 29.700 -0.098 0.000 0.768 364 E HN 0.202 nan 8.360 nan 0.000 0.457 365 A N -0.392 122.347 122.820 -0.135 0.000 1.993 365 A HA 0.558 4.878 4.320 -0.000 0.000 0.207 365 A C 1.322 178.853 177.584 -0.088 0.000 1.224 365 A CA 0.902 52.893 52.037 -0.077 0.000 0.749 365 A CB -0.248 18.742 19.000 -0.017 0.000 0.884 365 A HN 0.292 nan 8.150 nan 0.000 0.467 366 G N -1.049 107.653 108.800 -0.163 0.000 2.568 366 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.222 366 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.222 366 G C -1.409 173.671 174.900 0.300 0.000 1.321 366 G CA -0.154 44.869 45.100 -0.128 0.000 0.893 366 G HN 0.149 nan 8.290 nan 0.000 0.569 367 P HA -0.171 nan 4.420 nan 0.000 0.212 367 P C 2.085 179.498 177.300 0.188 0.000 1.128 367 P CA 2.914 66.159 63.100 0.242 0.000 0.961 367 P CB -0.390 31.410 31.700 0.167 0.000 0.782 368 S N -1.400 114.436 115.700 0.226 0.000 2.523 368 S HA -0.206 4.264 4.470 -0.000 0.000 0.264 368 S C 1.696 176.500 174.600 0.341 0.000 0.978 368 S CA 0.731 59.150 58.200 0.365 0.000 0.963 368 S CB -1.202 62.110 63.200 0.187 0.000 0.737 368 S HN 0.218 nan 8.310 nan 0.000 0.528 369 I N -0.089 120.605 120.570 0.206 0.000 3.035 369 I HA 0.013 4.183 4.170 -0.000 0.000 0.271 369 I C 1.949 178.153 176.117 0.145 0.000 1.190 369 I CA 0.425 61.824 61.300 0.166 0.000 1.472 369 I CB -0.022 38.058 38.000 0.133 0.000 1.116 369 I HN 0.123 nan 8.210 nan 0.000 0.443 370 V N 1.874 121.824 119.914 0.060 0.000 2.546 370 V HA -0.315 3.805 4.120 -0.000 0.000 0.254 370 V C 2.331 178.423 176.094 -0.004 0.000 1.076 370 V CA 1.932 64.238 62.300 0.010 0.000 1.087 370 V CB -0.833 30.914 31.823 -0.127 0.000 0.674 370 V HN 0.483 nan 8.190 nan 0.000 0.470 371 H N -0.283 118.860 119.070 0.122 0.000 2.256 371 H HA 0.035 4.591 4.556 -0.000 0.000 0.301 371 H C 1.627 177.028 175.328 0.121 0.000 1.062 371 H CA 0.995 57.106 56.048 0.105 0.000 1.283 371 H CB -0.271 29.537 29.762 0.077 0.000 1.379 371 H HN 0.291 nan 8.280 nan 0.000 0.493 372 R N 0.000 120.651 120.500 0.251 0.000 2.786 372 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 372 R CA 0.000 56.194 56.100 0.157 0.000 0.921 372 R CB 0.000 30.368 30.300 0.114 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535