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 1m06_1_F DATA FIRST_RESID 10 DATA SEQUENCE REIVDLSHLA FDCGMLGRLK TVSWTPVIAG DSFELDAVGA LRLSPLRRGL DATA SEQUENCE AIDSKVDFFT FYIPHRHVYG DQWIQFMRDG VNAQPLPSVT CNRYPDHAGY DATA SEQUENCE VGTIVPANNR IPKFLHQSYL NIYNNYFRAP WMPERTEANP SNLNEDDARY DATA SEQUENCE GFRCCHLKNI WSAPLPPETK LAEEMGIESN SIDIMGLQAA YAQLHTEQER DATA SEQUENCE TYFMQRYRDV ISSFGGSTSY DADNRPLLVM HTDFWASGYD VDGTDQSSLG DATA SEQUENCE QFSGRVQQTF KHSVPRFFVP EHGVMMTLAL IRFPPISPLE HHYLAGKSQL DATA SEQUENCE TYTDLAGDPA LIGNLPPREI SYRDLFRDGR SGIKIKVAES IWYRTHPDYV DATA SEQUENCE NFKYHDLHGF PFLDDAPGTS TGDNLQEAIL VRHQDYDACF QSQQLLQWNK DATA SEQUENCE QARYNVSVYR HMPTVRDSIM TS 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.244 176.300 -0.093 0.000 0.893 10 R CA 0.000 55.900 56.100 -0.334 0.000 0.921 10 R CB 0.000 30.146 30.300 -0.256 0.000 0.687 11 E N 0.892 121.036 120.200 -0.093 0.000 2.259 11 E HA 0.385 4.735 4.350 -0.000 0.000 0.257 11 E C -0.114 176.396 176.600 -0.150 0.000 0.998 11 E CA -0.920 55.420 56.400 -0.101 0.000 0.866 11 E CB 1.395 31.049 29.700 -0.077 0.000 1.220 11 E HN 0.022 nan 8.360 nan 0.000 0.415 12 I N 1.149 121.580 120.570 -0.232 0.000 2.474 12 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 12 I C 0.059 176.093 176.117 -0.139 0.000 1.048 12 I CA -0.776 60.357 61.300 -0.279 0.000 1.383 12 I CB 0.876 38.666 38.000 -0.350 0.000 1.412 12 I HN 0.256 nan 8.210 nan 0.000 0.531 13 V N 5.096 124.951 119.914 -0.099 0.000 2.487 13 V HA 0.239 4.359 4.120 -0.000 0.000 0.298 13 V C -0.230 175.838 176.094 -0.043 0.000 1.028 13 V CA -0.704 61.570 62.300 -0.043 0.000 0.860 13 V CB 2.065 33.889 31.823 0.002 0.000 0.991 13 V HN 0.636 nan 8.190 nan 0.000 0.427 14 D N 4.654 125.033 120.400 -0.035 0.000 2.396 14 D HA 0.344 4.984 4.640 -0.000 0.000 0.225 14 D C 0.356 176.656 176.300 -0.000 0.000 1.121 14 D CA -0.111 53.873 54.000 -0.026 0.000 0.853 14 D CB 1.308 42.092 40.800 -0.027 0.000 1.043 14 D HN 0.472 nan 8.370 nan 0.000 0.500 15 L N 2.180 123.412 121.223 0.014 0.000 2.818 15 L HA 0.204 4.544 4.340 -0.000 0.000 0.243 15 L C 0.860 177.814 176.870 0.139 0.000 1.185 15 L CA -0.385 54.474 54.840 0.032 0.000 0.988 15 L CB 0.055 42.130 42.059 0.027 0.000 1.292 15 L HN 0.129 nan 8.230 nan 0.000 0.519 16 S N 1.023 116.804 115.700 0.135 0.000 2.569 16 S HA 0.176 4.646 4.470 -0.000 0.000 0.274 16 S C -0.162 174.632 174.600 0.324 0.000 1.353 16 S CA 0.118 58.438 58.200 0.200 0.000 1.023 16 S CB 0.162 63.405 63.200 0.073 0.000 0.876 16 S HN 0.512 nan 8.310 nan 0.000 0.540 17 H N -1.322 117.789 119.070 0.069 0.000 2.951 17 H HA 0.333 4.889 4.556 -0.000 0.000 0.292 17 H C -1.833 173.564 175.328 0.115 0.000 1.412 17 H CA -0.901 55.184 56.048 0.062 0.000 1.206 17 H CB -0.366 29.403 29.762 0.012 0.000 1.862 17 H HN 0.459 nan 8.280 nan 0.000 0.502 18 L N 0.877 122.153 121.223 0.089 0.000 2.431 18 L HA 0.799 5.139 4.340 -0.000 0.000 0.260 18 L C 0.244 177.161 176.870 0.079 0.000 1.098 18 L CA -0.664 54.214 54.840 0.063 0.000 0.800 18 L CB 1.448 43.611 42.059 0.173 0.000 1.210 18 L HN 0.899 nan 8.230 nan 0.000 0.465 19 A N 1.559 124.394 122.820 0.025 0.000 2.485 19 A HA 0.625 4.945 4.320 -0.000 0.000 0.285 19 A C -1.474 176.104 177.584 -0.010 0.000 1.045 19 A CA -0.399 51.683 52.037 0.075 0.000 0.792 19 A CB 0.573 19.548 19.000 -0.042 0.000 1.307 19 A HN 0.389 nan 8.150 nan 0.000 0.406 20 F N 2.008 122.027 119.950 0.115 0.000 2.411 20 F HA 0.621 5.147 4.527 -0.000 0.000 0.352 20 F C 0.371 176.233 175.800 0.104 0.000 1.123 20 F CA -0.026 58.044 58.000 0.118 0.000 1.044 20 F CB 1.713 40.760 39.000 0.079 0.000 1.135 20 F HN 0.623 nan 8.300 nan 0.000 0.461 21 D N 1.684 122.227 120.400 0.238 0.000 2.636 21 D HA 0.765 5.405 4.640 -0.000 0.000 0.275 21 D C -1.419 174.878 176.300 -0.004 0.000 1.130 21 D CA -0.210 53.877 54.000 0.145 0.000 1.031 21 D CB 2.347 43.276 40.800 0.215 0.000 1.451 21 D HN 0.642 nan 8.370 nan 0.000 0.505 22 C N -0.751 118.339 119.300 -0.351 0.000 3.289 22 C HA 0.997 5.457 4.460 -0.000 0.000 0.354 22 C C -0.142 174.037 174.990 -1.352 0.000 1.201 22 C CA -0.286 58.164 59.018 -0.946 0.000 1.199 22 C CB 1.054 28.507 27.740 -0.479 0.000 1.511 22 C HN 0.720 nan 8.230 nan 0.000 0.506 23 G N 1.196 108.649 108.800 -2.246 0.000 2.619 23 G HA2 0.686 4.645 3.960 -0.000 0.000 0.305 23 G HA3 0.686 4.645 3.960 -0.000 0.000 0.305 23 G C -1.488 172.783 174.900 -1.048 0.000 1.330 23 G CA -0.815 43.504 45.100 -1.302 0.000 0.789 23 G HN 0.790 nan 8.290 nan 0.000 0.487 24 M N 0.762 120.085 119.600 -0.461 0.000 2.368 24 M HA 0.432 4.912 4.480 -0.000 0.000 0.311 24 M C 1.241 177.651 176.300 0.183 0.000 1.168 24 M CA -0.903 54.199 55.300 -0.329 0.000 1.044 24 M CB 1.034 33.219 32.600 -0.691 0.000 1.506 24 M HN 0.314 nan 8.290 nan 0.000 0.475 25 L N 1.829 123.174 121.223 0.204 0.000 1.886 25 L HA -0.092 4.247 4.340 -0.000 0.000 0.226 25 L C 2.150 179.110 176.870 0.150 0.000 1.091 25 L CA 2.440 57.389 54.840 0.182 0.000 0.799 25 L CB -2.070 40.035 42.059 0.075 0.000 0.889 25 L HN 0.984 nan 8.230 nan 0.000 0.429 26 G N 0.096 109.018 108.800 0.205 0.000 2.568 26 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.220 26 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.220 26 G C 0.914 175.903 174.900 0.149 0.000 1.104 26 G CA 0.324 45.514 45.100 0.150 0.000 0.738 26 G HN 0.371 nan 8.290 nan 0.000 0.574 27 R N -0.730 119.880 120.500 0.183 0.000 2.404 27 R HA 0.439 4.778 4.340 -0.000 0.000 0.291 27 R C -0.815 175.573 176.300 0.146 0.000 1.025 27 R CA -0.955 55.256 56.100 0.185 0.000 0.991 27 R CB 1.524 31.955 30.300 0.218 0.000 1.053 27 R HN 0.111 nan 8.270 nan 0.000 0.479 28 L N 3.206 124.484 121.223 0.092 0.000 2.283 28 L HA 0.240 4.580 4.340 -0.000 0.000 0.287 28 L C -0.369 176.561 176.870 0.100 0.000 1.073 28 L CA 0.500 55.322 54.840 -0.029 0.000 0.822 28 L CB 0.192 42.059 42.059 -0.319 0.000 1.186 28 L HN 0.465 nan 8.230 nan 0.000 0.436 29 K N 3.169 123.643 120.400 0.124 0.000 2.207 29 K HA 0.501 4.821 4.320 -0.000 0.000 0.255 29 K C -0.656 176.033 176.600 0.149 0.000 0.941 29 K CA -0.612 55.788 56.287 0.188 0.000 0.825 29 K CB 1.352 34.019 32.500 0.277 0.000 1.119 29 K HN 0.621 nan 8.250 nan 0.000 0.430 30 T N 2.318 116.971 114.554 0.165 0.000 2.851 30 T HA 0.120 4.470 4.350 -0.000 0.000 0.298 30 T C 0.843 175.644 174.700 0.168 0.000 0.977 30 T CA -0.566 61.632 62.100 0.163 0.000 1.126 30 T CB 1.124 70.082 68.868 0.151 0.000 0.916 30 T HN 0.417 nan 8.240 nan 0.000 0.529 31 V N 1.274 121.291 119.914 0.172 0.000 3.635 31 V HA 0.357 4.477 4.120 -0.000 0.000 0.266 31 V C 0.692 176.828 176.094 0.068 0.000 1.316 31 V CA -0.184 62.215 62.300 0.165 0.000 1.060 31 V CB 0.542 32.504 31.823 0.231 0.000 0.820 31 V HN 0.870 nan 8.190 nan 0.000 0.447 32 S N 1.389 117.160 115.700 0.118 0.000 2.602 32 S HA 0.463 4.933 4.470 -0.000 0.000 0.301 32 S C -2.263 172.476 174.600 0.232 0.000 1.091 32 S CA -0.800 57.420 58.200 0.033 0.000 0.895 32 S CB 0.949 63.952 63.200 -0.329 0.000 1.090 32 S HN 0.492 nan 8.310 nan 0.000 0.449 33 W N 2.352 123.705 121.300 0.088 0.000 2.936 33 W HA 0.750 5.409 4.660 -0.000 0.000 0.338 33 W C -1.673 174.904 176.519 0.098 0.000 1.121 33 W CA -0.974 56.433 57.345 0.104 0.000 1.209 33 W CB 0.874 30.393 29.460 0.098 0.000 1.420 33 W HN 0.556 nan 8.180 nan 0.000 0.516 34 T N 4.158 118.889 114.554 0.295 0.000 2.928 34 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 34 T C -2.706 172.135 174.700 0.235 0.000 1.000 34 T CA -1.174 61.016 62.100 0.149 0.000 0.989 34 T CB 2.469 71.485 68.868 0.246 0.000 1.005 34 T HN 0.120 nan 8.240 nan 0.000 0.442 35 P HA 0.419 nan 4.420 nan 0.000 0.280 35 P C -0.588 176.775 177.300 0.105 0.000 1.244 35 P CA -0.443 62.756 63.100 0.165 0.000 0.784 35 P CB 1.171 33.021 31.700 0.250 0.000 0.913 36 V N 1.522 121.451 119.914 0.024 0.000 3.113 36 V HA 0.691 4.811 4.120 -0.000 0.000 0.316 36 V C -0.275 175.794 176.094 -0.041 0.000 1.125 36 V CA -1.179 61.136 62.300 0.024 0.000 1.026 36 V CB 1.956 33.783 31.823 0.006 0.000 1.080 36 V HN 0.329 nan 8.190 nan 0.000 0.444 37 I N 0.933 121.443 120.570 -0.099 0.000 2.785 37 I HA 0.730 4.900 4.170 -0.000 0.000 0.302 37 I C 0.635 176.525 176.117 -0.378 0.000 1.069 37 I CA -1.051 60.047 61.300 -0.337 0.000 1.045 37 I CB 1.972 39.825 38.000 -0.245 0.000 1.236 37 I HN 0.974 nan 8.210 nan 0.000 0.429 38 A N 3.078 125.537 122.820 -0.602 0.000 2.567 38 A HA 0.420 4.740 4.320 -0.000 0.000 0.240 38 A C 1.159 178.635 177.584 -0.181 0.000 1.053 38 A CA 0.997 52.883 52.037 -0.252 0.000 0.755 38 A CB -0.585 18.422 19.000 0.010 0.000 0.978 38 A HN 1.350 nan 8.150 nan 0.000 0.507 39 G N 2.183 110.860 108.800 -0.205 0.000 2.213 39 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 39 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 39 G C -0.065 174.882 174.900 0.078 0.000 0.992 39 G CA 0.242 45.358 45.100 0.027 0.000 0.632 39 G HN 0.826 nan 8.290 nan 0.000 0.511 40 D N 0.894 121.253 120.400 -0.069 0.000 2.399 40 D HA 0.524 5.164 4.640 -0.000 0.000 0.241 40 D C 0.142 176.453 176.300 0.017 0.000 1.133 40 D CA 0.596 54.611 54.000 0.025 0.000 0.890 40 D CB 1.314 42.128 40.800 0.024 0.000 1.201 40 D HN 0.065 nan 8.370 nan 0.000 0.432 41 S N 1.331 117.114 115.700 0.137 0.000 2.520 41 S HA 0.316 4.786 4.470 -0.000 0.000 0.324 41 S C -0.940 173.797 174.600 0.228 0.000 1.069 41 S CA -0.677 57.594 58.200 0.118 0.000 1.121 41 S CB 0.007 63.187 63.200 -0.035 0.000 0.971 41 S HN 0.309 nan 8.310 nan 0.000 0.463 42 F N 4.006 124.005 119.950 0.083 0.000 2.411 42 F HA 0.565 5.092 4.527 -0.000 0.000 0.352 42 F C -0.099 175.809 175.800 0.181 0.000 1.123 42 F CA -0.766 57.330 58.000 0.161 0.000 1.044 42 F CB 0.795 39.912 39.000 0.195 0.000 1.135 42 F HN 0.494 nan 8.300 nan 0.000 0.461 43 E N 6.488 126.496 120.200 -0.319 0.000 2.222 43 E HA 0.580 4.930 4.350 -0.000 0.000 0.267 43 E C -2.267 174.037 176.600 -0.494 0.000 0.884 43 E CA -1.100 55.167 56.400 -0.222 0.000 0.764 43 E CB 1.925 31.594 29.700 -0.052 0.000 1.169 43 E HN 0.724 nan 8.360 nan 0.000 0.413 44 L N 3.842 124.915 121.223 -0.250 0.000 2.439 44 L HA 0.531 4.871 4.340 -0.000 0.000 0.270 44 L C -1.990 174.836 176.870 -0.073 0.000 0.972 44 L CA -0.329 54.417 54.840 -0.157 0.000 0.836 44 L CB 2.042 44.132 42.059 0.052 0.000 1.255 44 L HN 0.459 nan 8.230 nan 0.000 0.404 45 D N 5.439 125.778 120.400 -0.101 0.000 2.454 45 D HA 0.605 5.244 4.640 -0.000 0.000 0.247 45 D C -0.712 175.464 176.300 -0.207 0.000 1.129 45 D CA -0.063 53.851 54.000 -0.144 0.000 0.877 45 D CB 2.114 42.831 40.800 -0.138 0.000 1.082 45 D HN 0.767 nan 8.370 nan 0.000 0.537 46 A N 1.733 124.388 122.820 -0.275 0.000 2.312 46 A HA 0.727 5.047 4.320 -0.000 0.000 0.328 46 A C -0.522 176.735 177.584 -0.544 0.000 1.158 46 A CA -0.727 50.992 52.037 -0.529 0.000 0.821 46 A CB 1.718 20.237 19.000 -0.801 0.000 1.170 46 A HN 0.353 nan 8.150 nan 0.000 0.490 47 V N 1.380 120.915 119.914 -0.632 0.000 2.891 47 V HA 0.853 4.973 4.120 -0.000 0.000 0.304 47 V C -0.061 175.585 176.094 -0.747 0.000 1.171 47 V CA 0.801 62.677 62.300 -0.707 0.000 0.943 47 V CB 1.718 33.263 31.823 -0.464 0.000 1.037 47 V HN 2.033 nan 8.190 nan 0.000 0.427 48 G N 3.880 112.039 108.800 -1.069 0.000 2.435 48 G HA2 0.885 4.845 3.960 -0.000 0.000 0.296 48 G HA3 0.885 4.845 3.960 -0.000 0.000 0.296 48 G C -1.082 173.481 174.900 -0.561 0.000 1.240 48 G CA 0.032 44.726 45.100 -0.678 0.000 0.872 48 G HN 1.826 nan 8.290 nan 0.000 0.480 49 A N -0.796 122.022 122.820 -0.004 0.000 2.475 49 A HA 0.833 5.153 4.320 -0.000 0.000 0.301 49 A C -1.354 176.511 177.584 0.469 0.000 1.059 49 A CA -0.508 51.686 52.037 0.261 0.000 0.710 49 A CB 1.816 20.886 19.000 0.117 0.000 1.288 49 A HN 1.680 nan 8.150 nan 0.000 0.408 50 L N 1.708 123.184 121.223 0.423 0.000 2.365 50 L HA 0.847 5.187 4.340 -0.000 0.000 0.273 50 L C -0.345 176.674 176.870 0.247 0.000 1.000 50 L CA -0.533 54.490 54.840 0.305 0.000 0.819 50 L CB 1.590 43.749 42.059 0.166 0.000 1.284 50 L HN 0.915 nan 8.230 nan 0.000 0.418 51 R N 3.315 123.962 120.500 0.245 0.000 2.905 51 R HA 0.741 5.081 4.340 -0.000 0.000 0.260 51 R C -1.768 174.667 176.300 0.225 0.000 1.086 51 R CA -0.940 55.288 56.100 0.212 0.000 0.978 51 R CB 1.922 32.335 30.300 0.189 0.000 1.215 51 R HN 0.390 nan 8.270 nan 0.000 0.480 52 L N -0.118 121.230 121.223 0.208 0.000 2.354 52 L HA 0.420 4.760 4.340 -0.000 0.000 0.264 52 L C -0.123 176.862 176.870 0.192 0.000 1.008 52 L CA -0.277 54.707 54.840 0.240 0.000 0.819 52 L CB 2.177 44.454 42.059 0.363 0.000 1.339 52 L HN 0.587 nan 8.230 nan 0.000 0.420 53 S N 2.070 117.804 115.700 0.057 0.000 2.563 53 S HA 0.144 4.614 4.470 -0.000 0.000 0.269 53 S C -2.333 172.430 174.600 0.271 0.000 1.364 53 S CA -0.416 57.805 58.200 0.034 0.000 1.010 53 S CB -0.039 63.005 63.200 -0.260 0.000 0.877 53 S HN 0.408 nan 8.310 nan 0.000 0.549 54 P HA 0.087 nan 4.420 nan 0.000 0.262 54 P C -0.720 176.702 177.300 0.202 0.000 1.182 54 P CA 0.301 63.493 63.100 0.153 0.000 0.761 54 P CB 0.248 32.001 31.700 0.088 0.000 0.795 55 L N 4.080 125.359 121.223 0.094 0.000 2.399 55 L HA 0.291 4.631 4.340 -0.000 0.000 0.266 55 L C 1.917 178.755 176.870 -0.055 0.000 1.114 55 L CA -0.710 54.117 54.840 -0.022 0.000 0.804 55 L CB 0.840 42.840 42.059 -0.097 0.000 1.146 55 L HN 0.396 nan 8.230 nan 0.000 0.451 56 R N 1.324 121.757 120.500 -0.112 0.000 2.092 56 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 56 R C 0.684 176.909 176.300 -0.126 0.000 1.119 56 R CA 1.159 57.203 56.100 -0.095 0.000 0.970 56 R CB -0.093 30.149 30.300 -0.096 0.000 0.864 56 R HN 0.642 nan 8.270 nan 0.000 0.440 57 R N -1.199 119.166 120.500 -0.223 0.000 3.173 57 R HA 0.454 4.794 4.340 -0.000 0.000 0.225 57 R C 0.600 176.814 176.300 -0.144 0.000 1.587 57 R CA -0.494 55.476 56.100 -0.217 0.000 1.033 57 R CB 0.024 30.044 30.300 -0.466 0.000 1.804 57 R HN 0.047 nan 8.270 nan 0.000 0.526 58 G N 0.506 109.257 108.800 -0.082 0.000 2.611 58 G HA2 0.301 4.261 3.960 -0.000 0.000 0.273 58 G HA3 0.301 4.261 3.960 -0.000 0.000 0.273 58 G C -0.153 174.708 174.900 -0.066 0.000 1.305 58 G CA -0.759 44.328 45.100 -0.020 0.000 1.010 58 G HN 0.202 nan 8.290 nan 0.000 0.509 59 L N 0.205 121.419 121.223 -0.015 0.000 2.426 59 L HA 0.361 4.701 4.340 -0.000 0.000 0.271 59 L C 1.268 178.167 176.870 0.049 0.000 1.169 59 L CA -0.078 54.767 54.840 0.009 0.000 0.836 59 L CB 1.264 43.347 42.059 0.041 0.000 1.112 59 L HN 0.674 nan 8.230 nan 0.000 0.465 60 A N 4.810 127.660 122.820 0.051 0.000 2.068 60 A HA 0.452 4.772 4.320 -0.000 0.000 0.206 60 A C 0.400 178.034 177.584 0.084 0.000 1.822 60 A CA 0.125 52.229 52.037 0.112 0.000 0.899 60 A CB 0.401 19.477 19.000 0.125 0.000 1.251 60 A HN 0.646 nan 8.150 nan 0.000 0.599 61 I N -2.064 118.545 120.570 0.065 0.000 2.828 61 I HA 0.576 4.746 4.170 -0.000 0.000 0.302 61 I C -2.020 174.257 176.117 0.266 0.000 1.101 61 I CA -1.003 60.380 61.300 0.138 0.000 1.031 61 I CB 2.116 40.223 38.000 0.178 0.000 1.231 61 I HN -0.048 nan 8.210 nan 0.000 0.427 62 D N 3.473 124.023 120.400 0.250 0.000 2.255 62 D HA 0.315 4.955 4.640 -0.000 0.000 0.249 62 D C -0.069 176.535 176.300 0.507 0.000 1.078 62 D CA -0.021 54.186 54.000 0.345 0.000 0.896 62 D CB 1.966 42.930 40.800 0.272 0.000 1.194 62 D HN 0.704 nan 8.370 nan 0.000 0.429 63 S N 1.054 116.906 115.700 0.253 0.000 2.601 63 S HA 0.304 4.774 4.470 -0.000 0.000 0.271 63 S C 0.104 174.652 174.600 -0.088 0.000 1.305 63 S CA -0.852 57.236 58.200 -0.188 0.000 1.022 63 S CB 1.720 64.422 63.200 -0.830 0.000 0.940 63 S HN 0.368 nan 8.310 nan 0.000 0.525 64 K N 1.364 121.564 120.400 -0.333 0.000 2.235 64 K HA 0.538 4.857 4.320 -0.000 0.000 0.266 64 K C -1.490 174.701 176.600 -0.681 0.000 0.980 64 K CA -0.669 55.194 56.287 -0.708 0.000 0.849 64 K CB 0.907 32.838 32.500 -0.948 0.000 1.098 64 K HN 0.551 nan 8.250 nan 0.000 0.445 65 V N 3.906 123.264 119.914 -0.927 0.000 2.483 65 V HA 0.331 4.451 4.120 -0.000 0.000 0.295 65 V C -0.502 175.137 176.094 -0.760 0.000 1.035 65 V CA -0.714 61.005 62.300 -0.967 0.000 0.896 65 V CB 1.655 32.575 31.823 -1.504 0.000 0.986 65 V HN 0.843 nan 8.190 nan 0.000 0.447 66 D N 3.205 123.338 120.400 -0.446 0.000 2.649 66 D HA 0.506 5.145 4.640 -0.000 0.000 0.249 66 D C -1.332 174.791 176.300 -0.295 0.000 1.112 66 D CA -0.133 53.686 54.000 -0.303 0.000 0.850 66 D CB 2.526 43.281 40.800 -0.076 0.000 1.399 66 D HN 0.273 nan 8.370 nan 0.000 0.503 67 F N 1.652 121.273 119.950 -0.548 0.000 2.495 67 F HA 0.501 5.028 4.527 -0.000 0.000 0.327 67 F C -0.340 175.126 175.800 -0.557 0.000 1.103 67 F CA -0.590 57.146 58.000 -0.440 0.000 0.949 67 F CB 1.268 39.961 39.000 -0.511 0.000 1.142 67 F HN 0.194 nan 8.300 nan 0.000 0.457 68 F N 0.193 120.157 119.950 0.024 0.000 2.603 68 F HA 0.700 5.227 4.527 -0.000 0.000 0.317 68 F C -0.264 175.450 175.800 -0.143 0.000 1.066 68 F CA -0.922 57.035 58.000 -0.072 0.000 0.941 68 F CB 2.471 41.359 39.000 -0.186 0.000 1.291 68 F HN 0.114 nan 8.300 nan 0.000 0.472 69 T N 2.268 116.744 114.554 -0.130 0.000 3.050 69 T HA 0.526 4.876 4.350 -0.000 0.000 0.310 69 T C -1.234 173.262 174.700 -0.340 0.000 0.978 69 T CA -0.506 61.561 62.100 -0.055 0.000 1.013 69 T CB 0.401 69.385 68.868 0.193 0.000 1.000 69 T HN 0.215 nan 8.240 nan 0.000 0.447 70 F N 1.948 121.931 119.950 0.056 0.000 2.523 70 F HA 0.684 5.210 4.527 -0.000 0.000 0.329 70 F C -0.290 175.459 175.800 -0.085 0.000 1.061 70 F CA -1.320 56.659 58.000 -0.036 0.000 0.967 70 F CB 1.171 40.163 39.000 -0.012 0.000 1.218 70 F HN 0.516 nan 8.300 nan 0.000 0.480 71 Y N 2.114 122.368 120.300 -0.078 0.000 2.364 71 Y HA 0.755 5.304 4.550 -0.000 0.000 0.340 71 Y C -1.698 174.081 175.900 -0.202 0.000 0.975 71 Y CA -1.697 56.271 58.100 -0.219 0.000 1.089 71 Y CB 1.037 39.284 38.460 -0.354 0.000 1.192 71 Y HN 0.434 nan 8.280 nan 0.000 0.454 72 I N 8.758 128.794 120.570 -0.890 0.000 2.468 72 I HA 0.423 4.593 4.170 -0.000 0.000 0.285 72 I C -2.576 172.914 176.117 -1.046 0.000 1.039 72 I CA -2.422 58.356 61.300 -0.870 0.000 1.074 72 I CB 1.951 39.721 38.000 -0.384 0.000 1.228 72 I HN 0.524 nan 8.210 nan 0.000 0.436 73 P HA 0.137 nan 4.420 nan 0.000 0.268 73 P C 0.389 177.367 177.300 -0.538 0.000 1.204 73 P CA 0.103 62.734 63.100 -0.781 0.000 0.768 73 P CB 0.359 31.692 31.700 -0.612 0.000 0.842 74 H N 1.652 120.362 119.070 -0.601 0.000 2.457 74 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 74 H C 2.106 177.103 175.328 -0.552 0.000 1.092 74 H CA 0.747 56.391 56.048 -0.674 0.000 1.309 74 H CB 0.211 29.173 29.762 -1.334 0.000 1.382 74 H HN 0.387 nan 8.280 nan 0.000 0.535 75 R N 0.453 120.669 120.500 -0.473 0.000 2.105 75 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 75 R C 1.638 178.037 176.300 0.165 0.000 1.135 75 R CA 1.498 57.582 56.100 -0.026 0.000 0.967 75 R CB -0.192 30.225 30.300 0.196 0.000 0.861 75 R HN 0.604 nan 8.270 nan 0.000 0.442 76 H N -1.125 117.912 119.070 -0.054 0.000 2.456 76 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 76 H C 1.940 177.231 175.328 -0.061 0.000 1.079 76 H CA 1.237 57.260 56.048 -0.042 0.000 1.322 76 H CB 0.418 30.131 29.762 -0.081 0.000 1.388 76 H HN 0.093 nan 8.280 nan 0.000 0.538 77 V N -0.291 119.648 119.914 0.041 0.000 2.326 77 V HA -0.190 3.930 4.120 -0.000 0.000 0.238 77 V C 1.455 177.425 176.094 -0.206 0.000 1.038 77 V CA 1.293 63.511 62.300 -0.137 0.000 1.032 77 V CB -0.461 31.198 31.823 -0.273 0.000 0.675 77 V HN 0.332 nan 8.190 nan 0.000 0.467 78 Y N 1.151 121.487 120.300 0.060 0.000 2.583 78 Y HA 0.354 4.904 4.550 -0.000 0.000 0.293 78 Y C 1.749 177.738 175.900 0.148 0.000 1.157 78 Y CA 0.583 58.749 58.100 0.110 0.000 1.315 78 Y CB -0.781 37.780 38.460 0.169 0.000 1.021 78 Y HN 0.405 nan 8.280 nan 0.000 0.536 79 G N 0.495 109.439 108.800 0.241 0.000 2.564 79 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.273 79 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.273 79 G C 0.886 175.939 174.900 0.255 0.000 1.242 79 G CA 0.359 45.578 45.100 0.199 0.000 0.951 79 G HN 0.324 nan 8.290 nan 0.000 0.564 80 D N -0.058 120.448 120.400 0.176 0.000 2.182 80 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 80 D C 2.337 178.742 176.300 0.175 0.000 0.986 80 D CA 1.792 55.886 54.000 0.157 0.000 0.847 80 D CB -0.123 40.736 40.800 0.100 0.000 0.942 80 D HN 0.565 nan 8.370 nan 0.000 0.467 81 Q N -0.418 119.498 119.800 0.193 0.000 2.197 81 Q HA -0.174 4.166 4.340 -0.000 0.000 0.207 81 Q C 2.106 178.245 176.000 0.231 0.000 0.984 81 Q CA 1.282 57.201 55.803 0.193 0.000 0.869 81 Q CB -0.270 28.596 28.738 0.214 0.000 0.906 81 Q HN 0.523 nan 8.270 nan 0.000 0.426 82 W N 0.569 121.952 121.300 0.138 0.000 2.408 82 W HA -0.158 4.502 4.660 -0.000 0.000 0.311 82 W C 1.576 178.187 176.519 0.153 0.000 1.190 82 W CA 0.875 58.284 57.345 0.106 0.000 1.321 82 W CB -0.400 29.148 29.460 0.146 0.000 1.143 82 W HN 0.138 nan 8.180 nan 0.000 0.501 83 I N 1.418 122.068 120.570 0.133 0.000 2.145 83 I HA -0.427 3.743 4.170 -0.000 0.000 0.244 83 I C 2.839 178.895 176.117 -0.101 0.000 1.075 83 I CA 1.667 62.966 61.300 -0.002 0.000 1.332 83 I CB -0.587 37.481 38.000 0.114 0.000 1.033 83 I HN 0.062 nan 8.210 nan 0.000 0.410 84 Q N -0.033 119.753 119.800 -0.023 0.000 2.030 84 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 84 Q C 2.113 178.053 176.000 -0.100 0.000 0.986 84 Q CA 1.871 57.651 55.803 -0.039 0.000 0.843 84 Q CB -0.904 27.842 28.738 0.013 0.000 0.904 84 Q HN 0.485 nan 8.270 nan 0.000 0.420 85 F N 1.126 120.902 119.950 -0.290 0.000 2.032 85 F HA -0.347 4.180 4.527 -0.000 0.000 0.297 85 F C 2.184 177.688 175.800 -0.493 0.000 1.125 85 F CA 1.876 59.637 58.000 -0.398 0.000 1.202 85 F CB -0.190 38.489 39.000 -0.535 0.000 0.958 85 F HN 0.058 nan 8.300 nan 0.000 0.491 86 M N 0.168 119.439 119.600 -0.548 0.000 2.149 86 M HA -0.198 4.281 4.480 -0.000 0.000 0.261 86 M C 2.188 178.291 176.300 -0.328 0.000 1.064 86 M CA 1.658 56.639 55.300 -0.532 0.000 1.102 86 M CB -1.330 30.936 32.600 -0.556 0.000 1.369 86 M HN 0.242 nan 8.290 nan 0.000 0.408 87 R N 0.115 120.469 120.500 -0.243 0.000 2.061 87 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 87 R C 1.658 177.860 176.300 -0.163 0.000 1.140 87 R CA 1.342 57.350 56.100 -0.154 0.000 0.940 87 R CB -0.412 29.830 30.300 -0.097 0.000 0.839 87 R HN 0.392 nan 8.270 nan 0.000 0.429 88 D N -0.035 120.255 120.400 -0.183 0.000 2.351 88 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 88 D C 1.300 177.466 176.300 -0.223 0.000 0.968 88 D CA 1.118 55.015 54.000 -0.172 0.000 0.899 88 D CB -0.227 40.480 40.800 -0.156 0.000 0.907 88 D HN 0.408 nan 8.370 nan 0.000 0.514 89 G N 1.085 109.702 108.800 -0.304 0.000 2.651 89 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.315 89 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.315 89 G C 1.031 175.730 174.900 -0.335 0.000 1.258 89 G CA 0.458 45.368 45.100 -0.316 0.000 1.002 89 G HN 0.367 nan 8.290 nan 0.000 0.551 90 V N 1.828 121.612 119.914 -0.216 0.000 3.546 90 V HA 0.095 4.215 4.120 -0.000 0.000 0.272 90 V C 1.544 177.548 176.094 -0.150 0.000 1.228 90 V CA 2.574 64.770 62.300 -0.173 0.000 1.184 90 V CB -1.128 30.632 31.823 -0.106 0.000 0.886 90 V HN 0.571 nan 8.190 nan 0.000 0.508 91 N N -0.085 118.512 118.700 -0.171 0.000 2.159 91 N HA 0.384 5.124 4.740 -0.000 0.000 0.217 91 N C 0.485 175.914 175.510 -0.136 0.000 1.223 91 N CA 0.282 53.258 53.050 -0.124 0.000 0.896 91 N CB 0.624 39.054 38.487 -0.095 0.000 1.064 91 N HN 0.447 nan 8.380 nan 0.000 0.518 92 A N 1.005 123.689 122.820 -0.226 0.000 2.498 92 A HA 0.079 4.399 4.320 -0.000 0.000 0.239 92 A C 0.313 177.853 177.584 -0.073 0.000 1.068 92 A CA 0.139 52.049 52.037 -0.212 0.000 0.766 92 A CB 0.326 19.017 19.000 -0.514 0.000 1.003 92 A HN 0.135 nan 8.150 nan 0.000 0.497 93 Q N 2.756 122.563 119.800 0.012 0.000 2.286 93 Q HA 0.207 4.547 4.340 -0.000 0.000 0.267 93 Q C -1.975 174.108 176.000 0.139 0.000 1.028 93 Q CA -1.481 54.354 55.803 0.054 0.000 0.901 93 Q CB 0.393 29.160 28.738 0.048 0.000 1.183 93 Q HN 0.588 nan 8.270 nan 0.000 0.392 94 P HA -0.092 nan 4.420 nan 0.000 0.264 94 P C -0.196 177.165 177.300 0.102 0.000 1.179 94 P CA 0.286 63.491 63.100 0.176 0.000 0.763 94 P CB 0.693 32.453 31.700 0.101 0.000 0.806 95 L N 4.544 125.763 121.223 -0.006 0.000 2.456 95 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 95 L C -1.127 175.739 176.870 -0.006 0.000 1.189 95 L CA -1.691 53.070 54.840 -0.131 0.000 0.846 95 L CB -0.311 41.412 42.059 -0.561 0.000 1.111 95 L HN 0.366 nan 8.230 nan 0.000 0.475 96 P HA 0.194 nan 4.420 nan 0.000 0.277 96 P C -0.847 176.489 177.300 0.060 0.000 1.240 96 P CA -0.432 62.707 63.100 0.065 0.000 0.798 96 P CB 1.510 33.254 31.700 0.073 0.000 0.979 97 S N 0.174 115.875 115.700 0.001 0.000 2.651 97 S HA 0.417 4.887 4.470 -0.000 0.000 0.291 97 S C -0.226 174.336 174.600 -0.063 0.000 1.141 97 S CA -0.692 57.481 58.200 -0.044 0.000 1.027 97 S CB 1.508 64.672 63.200 -0.061 0.000 1.043 97 S HN 0.409 nan 8.310 nan 0.000 0.530 98 V N 2.321 122.169 119.914 -0.108 0.000 2.850 98 V HA 0.723 4.843 4.120 -0.000 0.000 0.315 98 V C 0.078 176.091 176.094 -0.135 0.000 1.064 98 V CA -0.446 61.774 62.300 -0.133 0.000 0.979 98 V CB 1.914 33.621 31.823 -0.194 0.000 1.039 98 V HN 1.060 nan 8.190 nan 0.000 0.452 99 T N 2.813 117.288 114.554 -0.132 0.000 2.907 99 T HA 0.629 4.979 4.350 -0.000 0.000 0.284 99 T C -0.267 174.370 174.700 -0.106 0.000 1.004 99 T CA -0.575 61.461 62.100 -0.107 0.000 1.063 99 T CB 0.900 69.716 68.868 -0.086 0.000 0.992 99 T HN 0.811 nan 8.240 nan 0.000 0.483 100 C N 2.223 121.480 119.300 -0.073 0.000 2.771 100 C HA 0.592 5.052 4.460 -0.000 0.000 0.333 100 C C 0.543 175.510 174.990 -0.037 0.000 1.267 100 C CA -1.195 57.806 59.018 -0.029 0.000 1.721 100 C CB 1.165 28.905 27.740 0.001 0.000 2.222 100 C HN 0.928 nan 8.230 nan 0.000 0.485 101 N N 0.650 119.356 118.700 0.010 0.000 2.482 101 N HA 0.137 4.877 4.740 -0.000 0.000 0.260 101 N C -0.098 175.268 175.510 -0.240 0.000 1.236 101 N CA -0.027 52.978 53.050 -0.075 0.000 0.938 101 N CB 0.530 39.057 38.487 0.066 0.000 1.128 101 N HN 0.508 nan 8.380 nan 0.000 0.448 102 R N 1.946 122.163 120.500 -0.472 0.000 4.559 102 R HA 0.071 4.411 4.340 -0.000 0.000 0.177 102 R C -0.830 174.979 176.300 -0.819 0.000 1.875 102 R CA 0.400 56.177 56.100 -0.539 0.000 1.509 102 R CB -0.631 29.381 30.300 -0.480 0.000 1.395 102 R HN 0.428 nan 8.270 nan 0.000 0.830 103 Y N -1.078 119.100 120.300 -0.203 0.000 2.470 103 Y HA 0.238 4.787 4.550 -0.000 0.000 0.341 103 Y C -1.821 174.032 175.900 -0.078 0.000 1.021 103 Y CA -2.990 54.985 58.100 -0.209 0.000 1.025 103 Y CB 1.924 40.087 38.460 -0.495 0.000 1.266 103 Y HN 0.043 nan 8.280 nan 0.000 0.448 104 P HA -0.202 nan 4.420 nan 0.000 0.214 104 P C 0.904 178.268 177.300 0.108 0.000 1.169 104 P CA 2.329 65.481 63.100 0.087 0.000 0.908 104 P CB 0.332 32.073 31.700 0.069 0.000 0.791 105 D N -2.123 118.359 120.400 0.137 0.000 2.269 105 D HA -0.175 4.465 4.640 -0.000 0.000 0.208 105 D C 1.137 177.519 176.300 0.137 0.000 0.963 105 D CA 0.888 54.953 54.000 0.108 0.000 0.864 105 D CB -1.856 38.975 40.800 0.052 0.000 0.936 105 D HN 0.375 nan 8.370 nan 0.000 0.505 106 H N 0.144 119.227 119.070 0.022 0.000 2.711 106 H HA 0.263 4.819 4.556 -0.000 0.000 0.288 106 H C 0.582 175.954 175.328 0.074 0.000 1.102 106 H CA 0.417 56.481 56.048 0.026 0.000 1.212 106 H CB 0.190 30.001 29.762 0.081 0.000 1.282 106 H HN 0.314 nan 8.280 nan 0.000 0.642 107 A N -0.597 122.305 122.820 0.136 0.000 2.600 107 A HA 0.234 4.554 4.320 -0.000 0.000 0.252 107 A C 2.341 179.907 177.584 -0.029 0.000 1.200 107 A CA 0.405 52.487 52.037 0.074 0.000 0.981 107 A CB 0.067 19.071 19.000 0.006 0.000 1.207 107 A HN 0.428 nan 8.150 nan 0.000 0.577 108 G N 0.670 109.483 108.800 0.021 0.000 2.547 108 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.221 108 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.221 108 G C 1.442 176.318 174.900 -0.040 0.000 1.140 108 G CA 1.728 46.822 45.100 -0.010 0.000 0.760 108 G HN 0.940 nan 8.290 nan 0.000 0.583 109 Y N 0.807 120.956 120.300 -0.252 0.000 2.207 109 Y HA -0.042 4.508 4.550 -0.000 0.000 0.287 109 Y C 2.040 177.724 175.900 -0.359 0.000 1.156 109 Y CA 1.047 58.896 58.100 -0.418 0.000 1.182 109 Y CB -0.650 37.316 38.460 -0.824 0.000 0.979 109 Y HN 0.156 nan 8.280 nan 0.000 0.521 110 V N -1.242 118.076 119.914 -0.995 0.000 3.189 110 V HA 0.583 4.703 4.120 -0.000 0.000 0.366 110 V C 1.191 177.143 176.094 -0.237 0.000 1.313 110 V CA -0.322 61.578 62.300 -0.667 0.000 1.302 110 V CB -0.576 30.708 31.823 -0.898 0.000 1.260 110 V HN 0.694 nan 8.190 nan 0.000 0.484 111 G N -0.025 108.737 108.800 -0.063 0.000 2.356 111 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.296 111 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.296 111 G C 0.132 175.168 174.900 0.227 0.000 1.022 111 G CA 0.974 46.156 45.100 0.136 0.000 0.961 111 G HN 1.119 nan 8.290 nan 0.000 0.510 112 T N -1.223 113.399 114.554 0.112 0.000 2.889 112 T HA 0.557 4.907 4.350 -0.000 0.000 0.315 112 T C -0.027 174.717 174.700 0.074 0.000 1.291 112 T CA -0.214 61.980 62.100 0.156 0.000 1.028 112 T CB 1.523 70.526 68.868 0.225 0.000 1.235 112 T HN 0.888 nan 8.240 nan 0.000 0.491 113 I N 3.363 123.981 120.570 0.081 0.000 2.581 113 I HA 0.517 4.687 4.170 -0.000 0.000 0.288 113 I C -0.067 176.079 176.117 0.047 0.000 1.047 113 I CA -0.601 60.734 61.300 0.058 0.000 1.374 113 I CB 1.007 39.039 38.000 0.053 0.000 1.423 113 I HN 0.375 nan 8.210 nan 0.000 0.549 114 V N 9.610 129.549 119.914 0.042 0.000 2.446 114 V HA 0.124 4.244 4.120 -0.000 0.000 0.276 114 V C -1.656 174.446 176.094 0.014 0.000 1.030 114 V CA -1.022 61.292 62.300 0.024 0.000 1.033 114 V CB -0.103 31.737 31.823 0.030 0.000 0.993 114 V HN 0.700 nan 8.190 nan 0.000 0.477 115 P HA 0.059 nan 4.420 nan 0.000 0.270 115 P C 0.852 178.148 177.300 -0.007 0.000 1.227 115 P CA 0.108 63.213 63.100 0.009 0.000 0.788 115 P CB 0.867 32.574 31.700 0.012 0.000 0.926 116 A N 2.829 125.647 122.820 -0.004 0.000 1.971 116 A HA -0.284 4.035 4.320 -0.000 0.000 0.222 116 A C 1.648 179.217 177.584 -0.025 0.000 1.182 116 A CA 2.650 54.679 52.037 -0.013 0.000 0.649 116 A CB -1.742 17.254 19.000 -0.006 0.000 0.818 116 A HN 0.805 nan 8.150 nan 0.000 0.458 117 N N -1.707 116.978 118.700 -0.024 0.000 2.398 117 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 117 N C 0.101 175.583 175.510 -0.046 0.000 1.122 117 N CA 0.590 53.621 53.050 -0.033 0.000 0.866 117 N CB -0.246 38.225 38.487 -0.026 0.000 0.970 117 N HN 0.400 nan 8.380 nan 0.000 0.462 118 N N -0.008 118.663 118.700 -0.048 0.000 2.754 118 N HA -0.179 4.560 4.740 -0.000 0.000 0.248 118 N C -1.198 174.275 175.510 -0.062 0.000 1.093 118 N CA 0.732 53.745 53.050 -0.061 0.000 0.699 118 N CB -1.067 37.368 38.487 -0.086 0.000 1.016 118 N HN 0.637 nan 8.380 nan 0.000 0.552 119 R N 0.136 120.600 120.500 -0.059 0.000 2.626 119 R HA 0.700 5.040 4.340 -0.000 0.000 0.274 119 R C -0.061 176.186 176.300 -0.089 0.000 1.031 119 R CA -0.819 55.236 56.100 -0.076 0.000 0.898 119 R CB 1.857 32.115 30.300 -0.070 0.000 1.222 119 R HN 0.229 nan 8.270 nan 0.000 0.455 120 I N -1.523 118.969 120.570 -0.129 0.000 2.785 120 I HA 0.642 4.812 4.170 -0.000 0.000 0.302 120 I C -2.492 173.463 176.117 -0.269 0.000 1.069 120 I CA -3.099 58.091 61.300 -0.183 0.000 1.045 120 I CB 2.418 40.298 38.000 -0.201 0.000 1.236 120 I HN 0.355 nan 8.210 nan 0.000 0.429 121 P HA -0.029 nan 4.420 nan 0.000 0.262 121 P C 0.074 177.009 177.300 -0.609 0.000 1.182 121 P CA 0.125 62.858 63.100 -0.612 0.000 0.761 121 P CB 1.132 32.127 31.700 -1.175 0.000 0.795 122 K N 3.333 123.532 120.400 -0.335 0.000 2.074 122 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 122 K C 1.873 178.297 176.600 -0.292 0.000 1.048 122 K CA 1.848 57.966 56.287 -0.282 0.000 0.926 122 K CB -0.591 31.692 32.500 -0.362 0.000 0.713 122 K HN 0.456 nan 8.250 nan 0.000 0.444 123 F N 0.300 120.147 119.950 -0.172 0.000 2.250 123 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 123 F C 1.475 177.171 175.800 -0.174 0.000 1.077 123 F CA 0.884 58.796 58.000 -0.147 0.000 1.348 123 F CB -0.786 38.236 39.000 0.035 0.000 1.040 123 F HN -0.044 nan 8.300 nan 0.000 0.509 124 L N -0.255 120.865 121.223 -0.172 0.000 2.007 124 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 124 L C 2.818 179.596 176.870 -0.154 0.000 1.073 124 L CA 1.931 56.633 54.840 -0.230 0.000 0.744 124 L CB -0.963 40.766 42.059 -0.551 0.000 0.898 124 L HN 0.257 nan 8.230 nan 0.000 0.435 125 H N -0.394 118.535 119.070 -0.235 0.000 2.265 125 H HA -0.224 4.331 4.556 -0.000 0.000 0.295 125 H C 2.351 177.689 175.328 0.016 0.000 1.084 125 H CA 1.937 57.938 56.048 -0.078 0.000 1.261 125 H CB 0.029 29.764 29.762 -0.045 0.000 1.360 125 H HN 0.131 nan 8.280 nan 0.000 0.487 126 Q N 0.143 119.897 119.800 -0.076 0.000 2.135 126 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 126 Q C 2.633 178.570 176.000 -0.105 0.000 0.981 126 Q CA 1.556 57.280 55.803 -0.132 0.000 0.856 126 Q CB -0.315 28.360 28.738 -0.105 0.000 0.902 126 Q HN 0.477 nan 8.270 nan 0.000 0.425 127 S N 0.002 115.664 115.700 -0.064 0.000 2.348 127 S HA -0.171 4.298 4.470 -0.000 0.000 0.221 127 S C 1.678 176.227 174.600 -0.085 0.000 1.033 127 S CA 1.189 59.349 58.200 -0.066 0.000 1.010 127 S CB -0.529 62.649 63.200 -0.037 0.000 0.891 127 S HN 0.463 nan 8.310 nan 0.000 0.442 128 Y N 2.275 122.466 120.300 -0.182 0.000 2.102 128 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 128 Y C 1.940 177.729 175.900 -0.185 0.000 1.178 128 Y CA 1.507 59.482 58.100 -0.208 0.000 1.146 128 Y CB -0.511 37.801 38.460 -0.247 0.000 0.968 128 Y HN 0.156 nan 8.280 nan 0.000 0.504 129 L N 0.123 121.351 121.223 0.008 0.000 1.955 129 L HA -0.334 4.006 4.340 -0.000 0.000 0.213 129 L C 2.231 179.094 176.870 -0.012 0.000 1.072 129 L CA 2.185 57.054 54.840 0.048 0.000 0.755 129 L CB -0.885 41.153 42.059 -0.035 0.000 0.888 129 L HN 0.339 nan 8.230 nan 0.000 0.432 130 N N -0.056 118.596 118.700 -0.080 0.000 2.091 130 N HA -0.258 4.482 4.740 -0.000 0.000 0.193 130 N C 1.877 177.274 175.510 -0.188 0.000 1.021 130 N CA 1.458 54.436 53.050 -0.120 0.000 0.862 130 N CB -0.221 38.199 38.487 -0.111 0.000 1.018 130 N HN 0.310 nan 8.380 nan 0.000 0.429 131 I N 0.015 120.441 120.570 -0.241 0.000 2.127 131 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 131 I C 2.271 178.334 176.117 -0.090 0.000 1.075 131 I CA 1.233 62.339 61.300 -0.324 0.000 1.334 131 I CB -0.432 37.287 38.000 -0.468 0.000 1.040 131 I HN 0.195 nan 8.210 nan 0.000 0.405 132 Y N 2.369 122.526 120.300 -0.239 0.000 2.097 132 Y HA -0.292 4.258 4.550 -0.000 0.000 0.282 132 Y C 2.449 178.353 175.900 0.006 0.000 1.152 132 Y CA 1.829 59.899 58.100 -0.049 0.000 1.136 132 Y CB -0.435 38.004 38.460 -0.035 0.000 0.975 132 Y HN 0.202 nan 8.280 nan 0.000 0.498 133 N N 0.176 118.862 118.700 -0.023 0.000 2.381 133 N HA -0.157 4.582 4.740 -0.000 0.000 0.182 133 N C 0.928 176.266 175.510 -0.287 0.000 1.025 133 N CA 1.074 54.035 53.050 -0.149 0.000 0.888 133 N CB -0.284 38.170 38.487 -0.055 0.000 0.965 133 N HN 0.502 nan 8.380 nan 0.000 0.438 134 N N -0.675 117.783 118.700 -0.403 0.000 2.325 134 N HA 0.045 4.785 4.740 -0.000 0.000 0.182 134 N C 0.211 175.133 175.510 -0.981 0.000 1.088 134 N CA 0.408 53.026 53.050 -0.719 0.000 0.879 134 N CB 0.444 38.358 38.487 -0.956 0.000 0.983 134 N HN 0.313 nan 8.380 nan 0.000 0.471 135 Y N -2.518 117.576 120.300 -0.343 0.000 2.449 135 Y HA 0.249 4.798 4.550 -0.000 0.000 0.283 135 Y C 1.002 176.467 175.900 -0.725 0.000 1.079 135 Y CA -0.438 57.350 58.100 -0.520 0.000 1.099 135 Y CB -0.037 38.022 38.460 -0.668 0.000 1.354 135 Y HN -0.151 nan 8.280 nan 0.000 0.569 136 F N 1.185 120.956 119.950 -0.299 0.000 2.446 136 F HA 0.172 4.699 4.527 -0.000 0.000 0.292 136 F C 1.211 176.721 175.800 -0.485 0.000 1.096 136 F CA -0.191 57.586 58.000 -0.372 0.000 1.438 136 F CB 0.007 38.804 39.000 -0.338 0.000 1.107 136 F HN -0.220 nan 8.300 nan 0.000 0.546 137 R N 1.066 121.209 120.500 -0.596 0.000 2.577 137 R HA 0.654 4.993 4.340 -0.000 0.000 0.269 137 R C -0.135 175.939 176.300 -0.376 0.000 1.084 137 R CA -0.481 55.309 56.100 -0.516 0.000 1.163 137 R CB 0.242 30.182 30.300 -0.600 0.000 1.100 137 R HN -0.026 nan 8.270 nan 0.000 0.547 138 A N 2.255 124.817 122.820 -0.430 0.000 2.477 138 A HA 0.217 4.537 4.320 -0.000 0.000 0.246 138 A C -1.628 175.665 177.584 -0.486 0.000 1.078 138 A CA -1.432 50.289 52.037 -0.528 0.000 0.770 138 A CB -0.103 18.284 19.000 -1.023 0.000 1.011 138 A HN 0.746 nan 8.150 nan 0.000 0.494 139 P HA -0.155 nan 4.420 nan 0.000 0.219 139 P C 1.242 178.514 177.300 -0.048 0.000 1.146 139 P CA 1.635 64.661 63.100 -0.124 0.000 0.808 139 P CB 0.006 31.705 31.700 -0.002 0.000 0.779 140 W N -2.530 118.767 121.300 -0.005 0.000 2.863 140 W HA 0.261 4.921 4.660 -0.000 0.000 0.258 140 W C 0.319 176.840 176.519 0.003 0.000 1.298 140 W CA -0.273 57.072 57.345 -0.000 0.000 1.451 140 W CB -1.318 28.148 29.460 0.012 0.000 1.107 140 W HN -0.101 nan 8.180 nan 0.000 0.641 141 M N 2.102 121.467 119.600 -0.392 0.000 2.232 141 M HA 0.186 4.666 4.480 -0.000 0.000 0.321 141 M C -1.909 174.355 176.300 -0.059 0.000 1.101 141 M CA -1.300 53.837 55.300 -0.272 0.000 1.181 141 M CB -0.222 32.080 32.600 -0.497 0.000 1.432 141 M HN -0.455 nan 8.290 nan 0.000 0.457 142 P HA -0.038 nan 4.420 nan 0.000 0.264 142 P C -0.918 176.379 177.300 -0.004 0.000 1.193 142 P CA 0.172 63.282 63.100 0.017 0.000 0.763 142 P CB 0.291 32.005 31.700 0.024 0.000 0.810 143 E N 2.738 122.937 120.200 -0.002 0.000 2.415 143 E HA -0.019 4.331 4.350 -0.000 0.000 0.263 143 E C -0.017 176.596 176.600 0.022 0.000 0.995 143 E CA -0.421 55.979 56.400 0.001 0.000 0.915 143 E CB 0.364 30.058 29.700 -0.010 0.000 0.951 143 E HN 0.111 nan 8.360 nan 0.000 0.449 144 R N 2.398 122.941 120.500 0.071 0.000 2.370 144 R HA 0.057 4.397 4.340 -0.000 0.000 0.309 144 R C 0.036 176.361 176.300 0.043 0.000 1.059 144 R CA 0.538 56.668 56.100 0.049 0.000 0.981 144 R CB 0.564 30.946 30.300 0.137 0.000 0.972 144 R HN 0.399 nan 8.270 nan 0.000 0.437 145 T N 2.597 117.156 114.554 0.008 0.000 3.442 145 T HA 0.226 4.576 4.350 -0.000 0.000 0.295 145 T C -0.760 173.964 174.700 0.040 0.000 1.007 145 T CA -0.510 61.604 62.100 0.023 0.000 0.962 145 T CB -0.116 68.758 68.868 0.010 0.000 1.187 145 T HN 0.546 nan 8.240 nan 0.000 0.490 146 E N 0.834 121.069 120.200 0.058 0.000 2.414 146 E HA 0.458 4.808 4.350 -0.000 0.000 0.263 146 E C 1.115 177.835 176.600 0.200 0.000 1.000 146 E CA 0.343 56.801 56.400 0.098 0.000 0.914 146 E CB 0.839 30.605 29.700 0.110 0.000 0.948 146 E HN 0.415 nan 8.360 nan 0.000 0.444 147 A N 3.743 126.632 122.820 0.114 0.000 1.935 147 A HA 0.032 4.351 4.320 -0.000 0.000 0.214 147 A C 0.184 177.771 177.584 0.004 0.000 1.178 147 A CA 0.796 52.888 52.037 0.093 0.000 0.640 147 A CB 0.002 19.015 19.000 0.021 0.000 0.825 147 A HN 0.574 nan 8.150 nan 0.000 0.447 148 N N -2.042 116.579 118.700 -0.130 0.000 2.229 148 N HA 0.448 5.188 4.740 -0.000 0.000 0.298 148 N C -2.630 172.631 175.510 -0.414 0.000 1.114 148 N CA -1.661 51.156 53.050 -0.388 0.000 0.776 148 N CB 1.613 39.980 38.487 -0.201 0.000 1.501 148 N HN -0.284 nan 8.380 nan 0.000 0.474 149 P HA -0.165 nan 4.420 nan 0.000 0.220 149 P C 0.622 177.883 177.300 -0.065 0.000 1.144 149 P CA 1.322 64.335 63.100 -0.144 0.000 0.800 149 P CB 0.166 31.870 31.700 0.006 0.000 0.772 150 S N -2.365 113.287 115.700 -0.081 0.000 2.561 150 S HA -0.007 4.463 4.470 -0.000 0.000 0.225 150 S C 1.423 176.009 174.600 -0.024 0.000 0.977 150 S CA 0.589 58.772 58.200 -0.028 0.000 0.926 150 S CB -1.154 62.018 63.200 -0.046 0.000 0.769 150 S HN 0.284 nan 8.310 nan 0.000 0.533 151 N N 0.467 119.141 118.700 -0.044 0.000 2.353 151 N HA 0.295 5.035 4.740 -0.000 0.000 0.185 151 N C -0.240 175.246 175.510 -0.040 0.000 1.098 151 N CA -0.128 52.903 53.050 -0.032 0.000 0.872 151 N CB 0.113 38.585 38.487 -0.024 0.000 0.970 151 N HN 0.348 nan 8.380 nan 0.000 0.467 152 L N 1.528 122.718 121.223 -0.054 0.000 2.418 152 L HA 0.167 4.507 4.340 -0.000 0.000 0.265 152 L C 0.296 177.111 176.870 -0.090 0.000 1.143 152 L CA -0.754 54.023 54.840 -0.104 0.000 0.809 152 L CB 0.532 42.479 42.059 -0.187 0.000 1.124 152 L HN 0.222 nan 8.230 nan 0.000 0.456 153 N N -0.532 118.097 118.700 -0.119 0.000 2.495 153 N HA 0.079 4.819 4.740 -0.000 0.000 0.280 153 N C 0.544 175.961 175.510 -0.155 0.000 1.168 153 N CA -0.662 52.333 53.050 -0.091 0.000 0.978 153 N CB 0.869 39.309 38.487 -0.077 0.000 1.191 153 N HN 0.656 nan 8.380 nan 0.000 0.497 154 E N 0.319 120.446 120.200 -0.121 0.000 2.160 154 E HA -0.431 3.918 4.350 -0.000 0.000 0.237 154 E C 0.466 176.844 176.600 -0.370 0.000 1.069 154 E CA 2.510 58.765 56.400 -0.241 0.000 0.950 154 E CB -0.213 29.432 29.700 -0.092 0.000 0.832 154 E HN 0.713 nan 8.360 nan 0.000 0.496 155 D N 0.342 120.640 120.400 -0.171 0.000 2.103 155 D HA -0.182 4.458 4.640 -0.000 0.000 0.190 155 D C 1.730 177.938 176.300 -0.154 0.000 0.997 155 D CA 1.408 55.360 54.000 -0.081 0.000 0.833 155 D CB -0.686 40.234 40.800 0.199 0.000 0.961 155 D HN 0.270 nan 8.370 nan 0.000 0.447 156 D N 0.744 121.085 120.400 -0.099 0.000 2.137 156 D HA -0.179 4.461 4.640 -0.000 0.000 0.189 156 D C 2.055 178.208 176.300 -0.246 0.000 0.998 156 D CA 1.719 55.676 54.000 -0.070 0.000 0.839 156 D CB -0.498 40.253 40.800 -0.082 0.000 0.962 156 D HN 0.161 nan 8.370 nan 0.000 0.446 157 A N 0.825 123.414 122.820 -0.385 0.000 1.986 157 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 157 A C 2.171 179.562 177.584 -0.321 0.000 1.171 157 A CA 1.736 53.502 52.037 -0.451 0.000 0.640 157 A CB -0.421 18.329 19.000 -0.417 0.000 0.811 157 A HN 0.221 nan 8.150 nan 0.000 0.451 158 R N -2.783 117.389 120.500 -0.546 0.000 2.156 158 R HA 0.068 4.408 4.340 -0.000 0.000 0.207 158 R C 1.118 177.152 176.300 -0.442 0.000 1.040 158 R CA 1.195 56.928 56.100 -0.613 0.000 1.013 158 R CB -0.078 29.566 30.300 -1.094 0.000 0.931 158 R HN 0.660 nan 8.270 nan 0.000 0.465 159 Y N -0.576 119.660 120.300 -0.106 0.000 2.430 159 Y HA 0.416 4.965 4.550 -0.000 0.000 0.248 159 Y C 0.957 176.850 175.900 -0.013 0.000 1.108 159 Y CA -0.092 57.959 58.100 -0.082 0.000 1.264 159 Y CB 0.759 39.140 38.460 -0.131 0.000 1.172 159 Y HN 0.166 nan 8.280 nan 0.000 0.520 160 G N 0.074 108.921 108.800 0.078 0.000 2.612 160 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.686 160 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.686 160 G C -0.756 174.269 174.900 0.208 0.000 1.274 160 G CA -1.317 43.807 45.100 0.040 0.000 0.849 160 G HN -0.105 nan 8.290 nan 0.000 0.595 161 F N 0.477 120.433 119.950 0.010 0.000 2.435 161 F HA 0.572 5.098 4.527 -0.000 0.000 0.316 161 F C 1.762 177.553 175.800 -0.016 0.000 1.220 161 F CA -0.532 57.380 58.000 -0.148 0.000 1.241 161 F CB 0.357 39.009 39.000 -0.579 0.000 1.234 161 F HN 0.507 nan 8.300 nan 0.000 0.569 162 R N -0.024 120.600 120.500 0.206 0.000 2.457 162 R HA 0.575 4.915 4.340 -0.000 0.000 0.284 162 R C -0.925 175.554 176.300 0.300 0.000 1.024 162 R CA -0.466 55.763 56.100 0.216 0.000 1.025 162 R CB 0.836 31.235 30.300 0.164 0.000 1.063 162 R HN 0.506 nan 8.270 nan 0.000 0.493 163 C N 0.438 119.879 119.300 0.234 0.000 2.710 163 C HA 0.499 4.959 4.460 -0.000 0.000 0.367 163 C C 0.418 175.492 174.990 0.140 0.000 1.315 163 C CA -0.877 58.285 59.018 0.241 0.000 1.764 163 C CB 1.406 29.287 27.740 0.235 0.000 2.182 163 C HN 0.811 nan 8.230 nan 0.000 0.491 164 C N 0.875 120.244 119.300 0.115 0.000 2.605 164 C HA 0.287 4.746 4.460 -0.000 0.000 0.404 164 C C 0.676 175.727 174.990 0.100 0.000 1.284 164 C CA -0.033 59.045 59.018 0.101 0.000 2.199 164 C CB -1.257 26.521 27.740 0.064 0.000 2.647 164 C HN 0.859 nan 8.230 nan 0.000 0.604 165 H N 0.813 119.957 119.070 0.124 0.000 2.822 165 H HA 0.173 4.729 4.556 -0.000 0.000 0.373 165 H C 0.428 175.773 175.328 0.029 0.000 1.223 165 H CA 0.008 56.124 56.048 0.112 0.000 1.436 165 H CB 0.358 30.179 29.762 0.099 0.000 1.439 165 H HN 0.379 nan 8.280 nan 0.000 0.618 166 L N 1.666 123.007 121.223 0.196 0.000 2.499 166 L HA -0.029 4.311 4.340 -0.000 0.000 0.281 166 L C 0.388 177.254 176.870 -0.007 0.000 1.234 166 L CA 0.565 55.458 54.840 0.087 0.000 0.839 166 L CB 0.028 42.153 42.059 0.110 0.000 1.104 166 L HN 0.639 nan 8.230 nan 0.000 0.500 167 K N 2.630 123.017 120.400 -0.020 0.000 2.368 167 K HA 0.158 4.478 4.320 -0.000 0.000 0.282 167 K C -0.223 176.298 176.600 -0.131 0.000 1.035 167 K CA -0.099 56.145 56.287 -0.072 0.000 0.973 167 K CB 0.314 32.799 32.500 -0.024 0.000 0.957 167 K HN 0.669 nan 8.250 nan 0.000 0.474 168 N N 1.230 119.781 118.700 -0.248 0.000 3.039 168 N HA 0.091 4.831 4.740 -0.000 0.000 0.257 168 N C 0.370 175.726 175.510 -0.257 0.000 1.497 168 N CA -0.901 51.981 53.050 -0.280 0.000 0.861 168 N CB 0.220 38.431 38.487 -0.460 0.000 1.479 168 N HN 0.488 nan 8.380 nan 0.000 0.547 169 I N -0.355 120.116 120.570 -0.166 0.000 2.248 169 I HA -0.145 4.024 4.170 -0.000 0.000 0.248 169 I C 0.718 176.857 176.117 0.037 0.000 1.107 169 I CA 1.427 62.696 61.300 -0.051 0.000 1.373 169 I CB 0.009 38.001 38.000 -0.013 0.000 1.055 169 I HN 0.750 nan 8.210 nan 0.000 0.418 170 W N 0.561 121.866 121.300 0.008 0.000 3.290 170 W HA 0.275 4.935 4.660 -0.000 0.000 0.287 170 W C 1.508 178.125 176.519 0.163 0.000 1.288 170 W CA 0.519 57.886 57.345 0.036 0.000 1.725 170 W CB -0.990 28.375 29.460 -0.158 0.000 1.103 170 W HN 0.378 nan 8.180 nan 0.000 0.670 171 S N 0.015 115.598 115.700 -0.196 0.000 2.701 171 S HA 0.522 4.992 4.470 -0.000 0.000 0.242 171 S C 0.693 175.323 174.600 0.052 0.000 1.025 171 S CA 0.229 58.380 58.200 -0.081 0.000 1.016 171 S CB 0.166 63.031 63.200 -0.558 0.000 0.977 171 S HN 0.170 nan 8.310 nan 0.000 0.546 172 A N 2.599 125.454 122.820 0.058 0.000 2.806 172 A HA 0.532 4.851 4.320 -0.000 0.000 0.266 172 A C -2.408 175.258 177.584 0.138 0.000 0.926 172 A CA -0.945 51.153 52.037 0.102 0.000 1.068 172 A CB 0.070 19.085 19.000 0.025 0.000 1.189 172 A HN 0.507 nan 8.150 nan 0.000 0.481 173 P HA 0.293 nan 4.420 nan 0.000 0.272 173 P C -0.319 177.063 177.300 0.137 0.000 1.230 173 P CA -0.235 62.956 63.100 0.150 0.000 0.788 173 P CB 0.763 32.566 31.700 0.172 0.000 0.949 174 L N 2.710 123.988 121.223 0.092 0.000 2.485 174 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 174 L C -1.658 175.208 176.870 -0.006 0.000 1.207 174 L CA -1.647 53.262 54.840 0.115 0.000 0.855 174 L CB -1.475 40.679 42.059 0.158 0.000 1.114 174 L HN 0.366 nan 8.230 nan 0.000 0.485 175 P HA -0.071 nan 4.420 nan 0.000 0.259 175 P C -1.896 175.128 177.300 -0.460 0.000 1.163 175 P CA -0.766 62.076 63.100 -0.429 0.000 0.760 175 P CB -0.161 31.469 31.700 -0.117 0.000 0.762 176 P HA -0.217 nan 4.420 nan 0.000 0.218 176 P C 0.911 178.047 177.300 -0.273 0.000 1.147 176 P CA 1.737 64.544 63.100 -0.487 0.000 0.827 176 P CB -0.029 31.278 31.700 -0.654 0.000 0.778 177 E N -0.446 119.608 120.200 -0.243 0.000 2.419 177 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 177 E C -0.288 176.240 176.600 -0.120 0.000 1.040 177 E CA -0.084 56.229 56.400 -0.144 0.000 0.900 177 E CB -1.064 28.570 29.700 -0.110 0.000 1.054 177 E HN 0.010 nan 8.360 nan 0.000 0.462 178 T N 2.376 116.861 114.554 -0.115 0.000 2.902 178 T HA 0.033 4.383 4.350 -0.000 0.000 0.301 178 T C 0.220 174.886 174.700 -0.056 0.000 1.012 178 T CA 0.213 62.262 62.100 -0.085 0.000 1.151 178 T CB 0.697 69.578 68.868 0.020 0.000 0.946 178 T HN 0.091 nan 8.240 nan 0.000 0.542 179 K N 3.025 123.379 120.400 -0.077 0.000 2.451 179 K HA 0.131 4.451 4.320 -0.000 0.000 0.280 179 K C 0.773 177.379 176.600 0.010 0.000 1.020 179 K CA -0.101 56.163 56.287 -0.039 0.000 1.008 179 K CB 0.460 32.928 32.500 -0.052 0.000 0.917 179 K HN 0.546 nan 8.250 nan 0.000 0.478 180 L N 1.745 122.976 121.223 0.014 0.000 2.664 180 L HA 0.253 4.592 4.340 -0.000 0.000 0.233 180 L C 0.130 177.022 176.870 0.036 0.000 1.113 180 L CA -0.177 54.683 54.840 0.034 0.000 0.896 180 L CB 0.636 42.712 42.059 0.029 0.000 1.163 180 L HN 0.684 nan 8.230 nan 0.000 0.497 181 A N -0.233 122.600 122.820 0.023 0.000 2.583 181 A HA 0.540 4.860 4.320 -0.000 0.000 0.298 181 A C -1.322 176.265 177.584 0.005 0.000 1.055 181 A CA -0.536 51.514 52.037 0.022 0.000 0.714 181 A CB 1.473 20.484 19.000 0.018 0.000 1.277 181 A HN -0.093 nan 8.150 nan 0.000 0.406 182 E N 1.616 121.816 120.200 -0.001 0.000 2.185 182 E HA 0.375 4.724 4.350 -0.000 0.000 0.261 182 E C -0.841 175.733 176.600 -0.043 0.000 0.879 182 E CA -0.436 55.949 56.400 -0.025 0.000 0.756 182 E CB 1.600 31.282 29.700 -0.029 0.000 1.152 182 E HN 0.636 nan 8.360 nan 0.000 0.416 183 E N 2.433 122.609 120.200 -0.040 0.000 2.319 183 E HA 0.319 4.669 4.350 -0.000 0.000 0.268 183 E C -0.077 176.487 176.600 -0.060 0.000 1.050 183 E CA -0.308 56.066 56.400 -0.043 0.000 0.878 183 E CB 1.556 31.239 29.700 -0.029 0.000 1.066 183 E HN 0.415 nan 8.360 nan 0.000 0.406 184 M N 1.310 120.872 119.600 -0.063 0.000 2.224 184 M HA 0.360 4.839 4.480 -0.000 0.000 0.281 184 M C -0.251 176.021 176.300 -0.047 0.000 1.025 184 M CA -0.502 54.757 55.300 -0.069 0.000 0.954 184 M CB 1.724 34.261 32.600 -0.106 0.000 1.639 184 M HN 0.551 nan 8.290 nan 0.000 0.461 185 G N 5.129 113.907 108.800 -0.037 0.000 2.554 185 G HA2 0.519 4.478 3.960 -0.000 0.000 0.238 185 G HA3 0.519 4.478 3.960 -0.000 0.000 0.238 185 G C -0.526 174.359 174.900 -0.025 0.000 1.259 185 G CA -0.481 44.604 45.100 -0.026 0.000 0.843 185 G HN 0.853 nan 8.290 nan 0.000 0.582 186 I N -1.752 118.807 120.570 -0.018 0.000 2.692 186 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 186 I C -0.814 175.298 176.117 -0.010 0.000 1.200 186 I CA -1.278 60.013 61.300 -0.015 0.000 1.036 186 I CB 2.303 40.295 38.000 -0.014 0.000 1.258 186 I HN 0.346 nan 8.210 nan 0.000 0.421 187 E N 2.491 122.686 120.200 -0.008 0.000 2.437 187 E HA 0.031 4.381 4.350 -0.000 0.000 0.263 187 E C 1.063 177.661 176.600 -0.004 0.000 1.030 187 E CA 0.226 56.623 56.400 -0.005 0.000 0.934 187 E CB 0.755 30.453 29.700 -0.004 0.000 0.943 187 E HN 0.645 nan 8.360 nan 0.000 0.444 188 S N 1.744 117.442 115.700 -0.003 0.000 2.409 188 S HA -0.250 4.220 4.470 -0.000 0.000 0.237 188 S C 0.977 175.576 174.600 -0.001 0.000 1.060 188 S CA 1.934 60.133 58.200 -0.002 0.000 1.052 188 S CB -0.110 63.089 63.200 -0.002 0.000 0.871 188 S HN 0.498 nan 8.310 nan 0.000 0.465 189 N N -0.574 118.126 118.700 -0.001 0.000 2.166 189 N HA 0.163 4.902 4.740 -0.000 0.000 0.213 189 N C -0.322 175.189 175.510 0.001 0.000 1.222 189 N CA 0.463 53.514 53.050 0.000 0.000 0.900 189 N CB 1.185 39.672 38.487 0.001 0.000 1.055 189 N HN 0.487 nan 8.380 nan 0.000 0.515 190 S N -0.062 115.638 115.700 -0.000 0.000 2.667 190 S HA 0.704 5.174 4.470 -0.000 0.000 0.292 190 S C -0.660 173.939 174.600 -0.001 0.000 1.126 190 S CA -0.794 57.407 58.200 0.001 0.000 0.881 190 S CB 2.514 65.715 63.200 0.001 0.000 1.132 190 S HN 0.089 nan 8.310 nan 0.000 0.492 191 I N 1.050 121.620 120.570 0.000 0.000 2.533 191 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 191 I C -1.603 174.514 176.117 -0.000 0.000 1.056 191 I CA -0.535 60.764 61.300 -0.003 0.000 1.057 191 I CB 1.831 39.830 38.000 -0.002 0.000 1.240 191 I HN 0.815 nan 8.210 nan 0.000 0.423 192 D N 7.663 128.061 120.400 -0.003 0.000 2.383 192 D HA 0.104 4.744 4.640 -0.000 0.000 0.245 192 D C 1.477 177.779 176.300 0.004 0.000 1.263 192 D CA -0.225 53.776 54.000 0.000 0.000 0.936 192 D CB 0.568 41.367 40.800 -0.002 0.000 1.053 192 D HN 0.553 nan 8.370 nan 0.000 0.507 193 I N 0.688 121.266 120.570 0.013 0.000 2.530 193 I HA -0.237 3.933 4.170 -0.000 0.000 0.257 193 I C 1.620 177.755 176.117 0.029 0.000 1.179 193 I CA 0.844 62.159 61.300 0.024 0.000 1.440 193 I CB -0.261 37.756 38.000 0.029 0.000 1.087 193 I HN 0.286 nan 8.210 nan 0.000 0.440 194 M N 1.510 121.122 119.600 0.020 0.000 2.236 194 M HA 0.045 4.525 4.480 -0.000 0.000 0.266 194 M C 2.374 178.686 176.300 0.019 0.000 1.070 194 M CA 1.691 57.004 55.300 0.022 0.000 1.137 194 M CB -0.580 32.029 32.600 0.015 0.000 1.378 194 M HN 0.473 nan 8.290 nan 0.000 0.426 195 G N 0.666 109.470 108.800 0.007 0.000 2.402 195 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 195 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 195 G C 1.391 176.282 174.900 -0.015 0.000 1.162 195 G CA 0.561 45.658 45.100 -0.004 0.000 0.777 195 G HN 0.337 nan 8.290 nan 0.000 0.539 196 L N 0.568 121.780 121.223 -0.018 0.000 2.043 196 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 196 L C 2.737 179.616 176.870 0.015 0.000 1.075 196 L CA 2.688 57.496 54.840 -0.053 0.000 0.752 196 L CB -0.743 41.310 42.059 -0.011 0.000 0.891 196 L HN 0.318 nan 8.230 nan 0.000 0.432 197 Q N -0.210 119.646 119.800 0.093 0.000 2.030 197 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 197 Q C 2.200 178.274 176.000 0.123 0.000 0.986 197 Q CA 2.423 58.319 55.803 0.156 0.000 0.843 197 Q CB -0.629 28.163 28.738 0.090 0.000 0.904 197 Q HN 0.620 nan 8.270 nan 0.000 0.420 198 A N 0.415 123.269 122.820 0.057 0.000 1.883 198 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 198 A C 2.340 179.945 177.584 0.035 0.000 1.186 198 A CA 2.144 54.205 52.037 0.040 0.000 0.624 198 A CB -1.376 17.635 19.000 0.018 0.000 0.822 198 A HN 0.556 nan 8.150 nan 0.000 0.444 199 A N -1.244 121.567 122.820 -0.015 0.000 1.927 199 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 199 A C 2.103 179.661 177.584 -0.044 0.000 1.185 199 A CA 1.981 53.972 52.037 -0.077 0.000 0.639 199 A CB -0.899 17.988 19.000 -0.188 0.000 0.820 199 A HN 0.599 nan 8.150 nan 0.000 0.451 200 Y N -0.339 119.974 120.300 0.021 0.000 2.145 200 Y HA -0.068 4.482 4.550 -0.000 0.000 0.286 200 Y C 2.997 178.927 175.900 0.050 0.000 1.145 200 Y CA 0.738 58.859 58.100 0.035 0.000 1.148 200 Y CB -0.943 37.535 38.460 0.030 0.000 0.981 200 Y HN 0.336 nan 8.280 nan 0.000 0.507 201 A N 0.161 123.100 122.820 0.197 0.000 1.873 201 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 201 A C 2.138 179.791 177.584 0.116 0.000 1.193 201 A CA 2.279 54.379 52.037 0.104 0.000 0.629 201 A CB -0.956 18.071 19.000 0.045 0.000 0.826 201 A HN 0.591 nan 8.150 nan 0.000 0.447 202 Q N -1.093 118.756 119.800 0.082 0.000 2.045 202 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 202 Q C 2.142 178.185 176.000 0.071 0.000 0.991 202 Q CA 1.554 57.393 55.803 0.060 0.000 0.851 202 Q CB -0.528 28.227 28.738 0.027 0.000 0.911 202 Q HN 0.598 nan 8.270 nan 0.000 0.418 203 L N 0.812 122.084 121.223 0.080 0.000 1.990 203 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 203 L C 2.456 179.381 176.870 0.092 0.000 1.072 203 L CA 2.158 57.041 54.840 0.071 0.000 0.755 203 L CB -1.027 41.094 42.059 0.104 0.000 0.889 203 L HN 0.366 nan 8.230 nan 0.000 0.432 204 H N -0.637 118.466 119.070 0.054 0.000 2.321 204 H HA -0.230 4.326 4.556 -0.000 0.000 0.295 204 H C 2.186 177.511 175.328 -0.005 0.000 1.102 204 H CA 2.725 58.799 56.048 0.043 0.000 1.266 204 H CB -0.318 29.476 29.762 0.053 0.000 1.363 204 H HN 0.644 nan 8.280 nan 0.000 0.492 205 T N -0.976 113.684 114.554 0.177 0.000 2.746 205 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 205 T C 1.872 176.536 174.700 -0.059 0.000 1.039 205 T CA 1.759 63.902 62.100 0.072 0.000 1.142 205 T CB -0.279 68.636 68.868 0.078 0.000 0.866 205 T HN 0.513 nan 8.240 nan 0.000 0.444 206 E N 0.826 120.990 120.200 -0.059 0.000 2.058 206 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 206 E C 2.736 179.193 176.600 -0.238 0.000 0.997 206 E CA 1.576 57.905 56.400 -0.118 0.000 0.801 206 E CB -0.138 29.510 29.700 -0.088 0.000 0.746 206 E HN 0.712 nan 8.360 nan 0.000 0.450 207 Q N 0.732 120.371 119.800 -0.269 0.000 1.967 207 Q HA -0.212 4.127 4.340 -0.000 0.000 0.202 207 Q C 2.199 177.877 176.000 -0.537 0.000 0.985 207 Q CA 1.184 56.708 55.803 -0.465 0.000 0.839 207 Q CB -0.348 28.248 28.738 -0.236 0.000 0.906 207 Q HN 0.327 nan 8.270 nan 0.000 0.423 208 E N 0.715 120.643 120.200 -0.453 0.000 2.136 208 E HA -0.272 4.077 4.350 -0.000 0.000 0.208 208 E C 2.155 178.212 176.600 -0.904 0.000 1.035 208 E CA 1.367 57.321 56.400 -0.743 0.000 0.838 208 E CB -0.060 29.360 29.700 -0.466 0.000 0.748 208 E HN 0.194 nan 8.360 nan 0.000 0.459 209 R N -0.385 119.824 120.500 -0.486 0.000 2.070 209 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 209 R C 2.539 178.651 176.300 -0.314 0.000 1.138 209 R CA 2.063 57.965 56.100 -0.329 0.000 0.936 209 R CB -0.383 29.807 30.300 -0.183 0.000 0.839 209 R HN 0.124 nan 8.270 nan 0.000 0.429 210 T N 0.029 114.373 114.554 -0.350 0.000 2.684 210 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 210 T C 1.487 176.062 174.700 -0.209 0.000 1.036 210 T CA 1.628 63.547 62.100 -0.303 0.000 1.148 210 T CB -0.377 68.226 68.868 -0.441 0.000 0.863 210 T HN 0.216 nan 8.240 nan 0.000 0.436 211 Y N 0.919 121.109 120.300 -0.183 0.000 2.145 211 Y HA 0.020 4.570 4.550 -0.000 0.000 0.286 211 Y C 1.800 177.752 175.900 0.088 0.000 1.145 211 Y CA 0.377 58.453 58.100 -0.041 0.000 1.148 211 Y CB -0.515 37.970 38.460 0.041 0.000 0.981 211 Y HN 0.520 nan 8.280 nan 0.000 0.507 212 F N -5.452 114.596 119.950 0.163 0.000 2.974 212 F HA 0.415 4.942 4.527 -0.000 0.000 0.357 212 F C 0.253 176.091 175.800 0.062 0.000 1.114 212 F CA -0.469 57.592 58.000 0.101 0.000 1.099 212 F CB -0.441 38.609 39.000 0.084 0.000 1.205 212 F HN -0.280 nan 8.300 nan 0.000 0.535 213 M N 1.735 121.259 119.600 -0.127 0.000 3.136 213 M HA 0.280 4.760 4.480 -0.000 0.000 0.240 213 M C 0.582 176.867 176.300 -0.025 0.000 1.138 213 M CA 0.139 55.427 55.300 -0.020 0.000 0.866 213 M CB 0.836 33.393 32.600 -0.072 0.000 1.340 213 M HN 0.264 nan 8.290 nan 0.000 0.539 214 Q N 0.161 119.969 119.800 0.012 0.000 2.354 214 Q HA 0.149 4.489 4.340 -0.000 0.000 0.203 214 Q C 0.414 176.432 176.000 0.030 0.000 0.933 214 Q CA 0.606 56.418 55.803 0.015 0.000 0.901 214 Q CB 0.710 29.470 28.738 0.036 0.000 1.007 214 Q HN 0.493 nan 8.270 nan 0.000 0.495 215 R N 0.082 120.604 120.500 0.037 0.000 2.357 215 R HA 0.038 4.377 4.340 -0.000 0.000 0.296 215 R C 0.476 176.825 176.300 0.082 0.000 1.052 215 R CA -0.189 55.939 56.100 0.046 0.000 0.988 215 R CB 0.542 30.852 30.300 0.018 0.000 1.025 215 R HN 0.166 nan 8.270 nan 0.000 0.469 216 Y N 5.010 125.304 120.300 -0.011 0.000 2.069 216 Y HA -0.362 4.187 4.550 -0.000 0.000 0.278 216 Y C 2.315 178.223 175.900 0.014 0.000 1.175 216 Y CA 2.343 60.441 58.100 -0.005 0.000 1.134 216 Y CB 0.010 38.457 38.460 -0.021 0.000 0.965 216 Y HN 0.566 nan 8.280 nan 0.000 0.498 217 R N -0.285 120.257 120.500 0.071 0.000 2.117 217 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 217 R C 1.497 177.764 176.300 -0.056 0.000 1.143 217 R CA 1.897 57.987 56.100 -0.017 0.000 0.968 217 R CB -0.904 29.447 30.300 0.086 0.000 0.863 217 R HN 0.324 nan 8.270 nan 0.000 0.444 218 D N 0.683 121.081 120.400 -0.003 0.000 2.224 218 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 218 D C 2.059 178.385 176.300 0.043 0.000 0.965 218 D CA 0.854 54.882 54.000 0.046 0.000 0.852 218 D CB 0.069 40.926 40.800 0.094 0.000 0.947 218 D HN 0.115 nan 8.370 nan 0.000 0.494 219 V N 1.514 121.408 119.914 -0.033 0.000 2.379 219 V HA -0.174 3.945 4.120 -0.000 0.000 0.245 219 V C 2.412 178.524 176.094 0.030 0.000 1.044 219 V CA 0.853 63.159 62.300 0.010 0.000 1.036 219 V CB -0.117 31.673 31.823 -0.054 0.000 0.664 219 V HN 0.174 nan 8.190 nan 0.000 0.453 220 I N 0.091 120.530 120.570 -0.219 0.000 2.286 220 I HA -0.158 4.011 4.170 -0.000 0.000 0.248 220 I C 2.526 178.656 176.117 0.022 0.000 1.115 220 I CA 1.428 62.605 61.300 -0.204 0.000 1.392 220 I CB -1.284 36.485 38.000 -0.385 0.000 1.065 220 I HN 0.284 nan 8.210 nan 0.000 0.418 221 S N 0.511 116.230 115.700 0.031 0.000 2.382 221 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 221 S C 2.220 176.897 174.600 0.128 0.000 1.027 221 S CA 1.561 59.807 58.200 0.076 0.000 0.991 221 S CB -0.253 62.988 63.200 0.068 0.000 0.823 221 S HN 0.518 nan 8.310 nan 0.000 0.469 222 S N 0.864 116.667 115.700 0.171 0.000 2.374 222 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 222 S C 1.380 176.063 174.600 0.138 0.000 1.037 222 S CA 1.252 59.556 58.200 0.173 0.000 1.024 222 S CB -0.474 62.847 63.200 0.201 0.000 0.861 222 S HN 0.472 nan 8.310 nan 0.000 0.456 223 F N 1.480 121.437 119.950 0.011 0.000 2.748 223 F HA 0.301 4.828 4.527 -0.000 0.000 0.299 223 F C 1.968 177.776 175.800 0.013 0.000 1.154 223 F CA 0.383 58.390 58.000 0.012 0.000 1.446 223 F CB -0.429 38.569 39.000 -0.003 0.000 1.112 223 F HN 0.417 nan 8.300 nan 0.000 0.584 224 G N 0.022 108.927 108.800 0.175 0.000 2.142 224 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.225 224 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.225 224 G C 0.539 175.499 174.900 0.100 0.000 1.015 224 G CA -0.154 45.010 45.100 0.107 0.000 0.716 224 G HN 0.768 nan 8.290 nan 0.000 0.508 225 G N -0.900 107.963 108.800 0.104 0.000 2.971 225 G HA2 1.010 4.970 3.960 -0.000 0.000 0.235 225 G HA3 1.010 4.970 3.960 -0.000 0.000 0.235 225 G C 0.092 175.020 174.900 0.046 0.000 1.351 225 G CA 0.490 45.627 45.100 0.062 0.000 1.039 225 G HN 1.835 nan 8.290 nan 0.000 0.563 226 S N -2.224 113.495 115.700 0.032 0.000 2.643 226 S HA 0.787 5.257 4.470 -0.000 0.000 0.270 226 S C -0.869 173.757 174.600 0.043 0.000 1.166 226 S CA 0.055 58.280 58.200 0.041 0.000 0.815 226 S CB 1.589 64.821 63.200 0.053 0.000 1.139 226 S HN 1.606 nan 8.310 nan 0.000 0.472 227 T N -1.061 113.532 114.554 0.065 0.000 2.933 227 T HA 0.737 5.087 4.350 -0.000 0.000 0.305 227 T C 0.001 174.753 174.700 0.087 0.000 1.092 227 T CA -0.243 61.910 62.100 0.087 0.000 1.008 227 T CB 1.150 70.095 68.868 0.128 0.000 1.102 227 T HN 1.460 nan 8.240 nan 0.000 0.469 228 S N 1.724 117.454 115.700 0.049 0.000 2.608 228 S HA 0.233 4.703 4.470 -0.000 0.000 0.261 228 S C 1.090 175.716 174.600 0.044 0.000 1.314 228 S CA -0.434 57.755 58.200 -0.019 0.000 0.992 228 S CB -0.163 62.960 63.200 -0.129 0.000 0.935 228 S HN 0.966 nan 8.310 nan 0.000 0.564 229 Y N -1.245 119.160 120.300 0.175 0.000 2.571 229 Y HA 0.222 4.772 4.550 -0.000 0.000 0.294 229 Y C 1.246 177.265 175.900 0.199 0.000 1.141 229 Y CA 0.310 58.528 58.100 0.197 0.000 1.308 229 Y CB -0.812 37.798 38.460 0.250 0.000 1.002 229 Y HN 0.484 nan 8.280 nan 0.000 0.551 230 D N 0.944 121.379 120.400 0.058 0.000 2.289 230 D HA 0.004 4.643 4.640 -0.000 0.000 0.207 230 D C 2.227 178.531 176.300 0.007 0.000 0.966 230 D CA 1.065 55.137 54.000 0.119 0.000 0.868 230 D CB -0.011 40.814 40.800 0.042 0.000 0.943 230 D HN 0.492 nan 8.370 nan 0.000 0.514 231 A N 1.746 124.576 122.820 0.017 0.000 1.908 231 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 231 A C 1.501 179.057 177.584 -0.045 0.000 1.181 231 A CA 2.091 54.131 52.037 0.006 0.000 0.627 231 A CB -0.144 18.907 19.000 0.085 0.000 0.818 231 A HN 0.255 nan 8.150 nan 0.000 0.445 232 D N -3.700 116.687 120.400 -0.021 0.000 2.513 232 D HA 0.118 4.758 4.640 -0.000 0.000 0.222 232 D C -0.007 176.212 176.300 -0.134 0.000 1.210 232 D CA -0.039 53.920 54.000 -0.069 0.000 0.825 232 D CB -0.963 39.840 40.800 0.005 0.000 1.037 232 D HN 0.217 nan 8.370 nan 0.000 0.506 233 N N 1.063 119.634 118.700 -0.215 0.000 2.754 233 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 233 N C -0.769 174.597 175.510 -0.241 0.000 1.093 233 N CA 0.805 53.538 53.050 -0.528 0.000 0.699 233 N CB -1.027 37.167 38.487 -0.487 0.000 1.016 233 N HN 0.615 nan 8.380 nan 0.000 0.552 234 R N -1.126 119.377 120.500 0.005 0.000 2.390 234 R HA 0.595 4.935 4.340 -0.000 0.000 0.291 234 R C -2.661 173.748 176.300 0.181 0.000 1.070 234 R CA -1.608 54.511 56.100 0.031 0.000 1.014 234 R CB 0.697 31.000 30.300 0.005 0.000 1.007 234 R HN -0.076 nan 8.270 nan 0.000 0.466 235 P HA -0.070 nan 4.420 nan 0.000 0.269 235 P C -0.986 176.396 177.300 0.137 0.000 1.209 235 P CA -0.390 62.721 63.100 0.019 0.000 0.776 235 P CB 0.468 32.083 31.700 -0.142 0.000 0.876 236 L N 4.348 125.577 121.223 0.010 0.000 2.265 236 L HA 0.289 4.629 4.340 -0.000 0.000 0.288 236 L C -0.730 176.274 176.870 0.225 0.000 1.058 236 L CA -0.305 54.568 54.840 0.055 0.000 0.809 236 L CB -0.123 41.815 42.059 -0.202 0.000 1.179 236 L HN 0.269 nan 8.230 nan 0.000 0.429 237 L N 6.361 127.723 121.223 0.232 0.000 2.369 237 L HA 0.172 4.512 4.340 -0.000 0.000 0.279 237 L C 0.424 177.230 176.870 -0.107 0.000 1.108 237 L CA -0.150 54.726 54.840 0.060 0.000 0.852 237 L CB 1.242 43.255 42.059 -0.077 0.000 1.169 237 L HN 0.677 nan 8.230 nan 0.000 0.452 238 V N 5.791 125.570 119.914 -0.225 0.000 2.949 238 V HA 0.178 4.298 4.120 -0.000 0.000 0.245 238 V C 0.653 176.656 176.094 -0.151 0.000 1.086 238 V CA 0.751 62.903 62.300 -0.247 0.000 1.097 238 V CB 0.319 31.880 31.823 -0.437 0.000 0.762 238 V HN 0.695 nan 8.190 nan 0.000 0.470 239 M N -0.167 119.352 119.600 -0.136 0.000 2.333 239 M HA 0.381 4.860 4.480 -0.000 0.000 0.286 239 M C -2.139 174.171 176.300 0.018 0.000 1.113 239 M CA -0.448 54.805 55.300 -0.079 0.000 0.959 239 M CB 1.794 34.303 32.600 -0.152 0.000 1.776 239 M HN 0.378 nan 8.290 nan 0.000 0.492 240 H N 1.907 120.908 119.070 -0.116 0.000 2.727 240 H HA 0.788 5.343 4.556 -0.000 0.000 0.330 240 H C -1.458 173.786 175.328 -0.141 0.000 0.986 240 H CA 0.130 56.072 56.048 -0.177 0.000 1.251 240 H CB 1.258 30.908 29.762 -0.187 0.000 1.493 240 H HN 0.571 nan 8.280 nan 0.000 0.515 241 T N 5.306 119.618 114.554 -0.403 0.000 2.912 241 T HA 0.395 4.745 4.350 -0.000 0.000 0.288 241 T C -1.111 173.299 174.700 -0.483 0.000 1.030 241 T CA -0.845 61.053 62.100 -0.338 0.000 1.020 241 T CB 1.280 70.201 68.868 0.089 0.000 1.056 241 T HN 0.750 nan 8.240 nan 0.000 0.480 242 D N 0.811 121.014 120.400 -0.328 0.000 2.859 242 D HA 0.587 5.227 4.640 -0.000 0.000 0.223 242 D C -1.143 175.081 176.300 -0.126 0.000 1.218 242 D CA -0.670 53.135 54.000 -0.325 0.000 0.850 242 D CB 1.645 42.198 40.800 -0.411 0.000 1.656 242 D HN 0.549 nan 8.370 nan 0.000 0.484 243 F N -2.490 117.254 119.950 -0.344 0.000 2.741 243 F HA 0.706 5.232 4.527 -0.000 0.000 0.311 243 F C -1.968 173.626 175.800 -0.343 0.000 1.149 243 F CA -1.560 56.275 58.000 -0.275 0.000 0.930 243 F CB 0.830 39.754 39.000 -0.127 0.000 1.312 243 F HN 0.245 nan 8.300 nan 0.000 0.450 244 W N 1.593 122.979 121.300 0.143 0.000 2.376 244 W HA 0.722 5.382 4.660 -0.000 0.000 0.322 244 W C -0.323 176.305 176.519 0.182 0.000 1.160 244 W CA -0.822 56.553 57.345 0.050 0.000 1.218 244 W CB 1.866 31.368 29.460 0.070 0.000 1.205 244 W HN 0.807 nan 8.180 nan 0.000 0.559 245 A N 2.929 125.939 122.820 0.316 0.000 2.444 245 A HA 0.551 4.871 4.320 -0.000 0.000 0.332 245 A C -0.234 177.502 177.584 0.253 0.000 1.430 245 A CA -0.294 51.906 52.037 0.273 0.000 0.975 245 A CB 0.531 19.597 19.000 0.110 0.000 1.147 245 A HN 0.443 nan 8.150 nan 0.000 0.524 246 S N 1.305 117.153 115.700 0.248 0.000 2.747 246 S HA 0.934 5.404 4.470 -0.000 0.000 0.300 246 S C 0.571 175.287 174.600 0.195 0.000 1.121 246 S CA 0.250 58.568 58.200 0.198 0.000 0.995 246 S CB 1.579 64.879 63.200 0.166 0.000 1.113 246 S HN 1.455 nan 8.310 nan 0.000 0.547 247 G N 0.001 108.914 108.800 0.190 0.000 2.726 247 G HA2 0.548 4.508 3.960 -0.000 0.000 0.198 247 G HA3 0.548 4.508 3.960 -0.000 0.000 0.198 247 G C -1.915 173.174 174.900 0.315 0.000 1.195 247 G CA -0.052 45.200 45.100 0.253 0.000 0.951 247 G HN 0.955 nan 8.290 nan 0.000 0.532 248 Y N -0.962 119.384 120.300 0.077 0.000 2.677 248 Y HA 0.819 5.369 4.550 -0.000 0.000 0.334 248 Y C -1.490 174.454 175.900 0.074 0.000 1.154 248 Y CA -1.792 56.347 58.100 0.065 0.000 1.070 248 Y CB 0.963 39.459 38.460 0.061 0.000 1.294 248 Y HN 0.338 nan 8.280 nan 0.000 0.475 249 D N 0.663 121.151 120.400 0.146 0.000 2.198 249 D HA 0.533 5.173 4.640 -0.000 0.000 0.247 249 D C -1.055 175.336 176.300 0.153 0.000 1.010 249 D CA -0.355 53.691 54.000 0.076 0.000 0.880 249 D CB 2.669 43.535 40.800 0.109 0.000 1.209 249 D HN 0.445 nan 8.370 nan 0.000 0.451 250 V N 2.507 122.483 119.914 0.104 0.000 2.370 250 V HA 0.155 4.275 4.120 -0.000 0.000 0.283 250 V C -0.206 175.984 176.094 0.160 0.000 1.023 250 V CA -0.886 61.492 62.300 0.131 0.000 0.857 250 V CB 1.672 33.516 31.823 0.034 0.000 0.985 250 V HN 0.367 nan 8.190 nan 0.000 0.443 251 D N 3.760 124.258 120.400 0.163 0.000 2.308 251 D HA 0.325 4.965 4.640 -0.000 0.000 0.251 251 D C 0.540 176.787 176.300 -0.088 0.000 1.127 251 D CA 0.219 54.244 54.000 0.042 0.000 0.876 251 D CB 1.874 42.746 40.800 0.120 0.000 1.176 251 D HN 0.685 nan 8.370 nan 0.000 0.446 252 G N 0.106 108.755 108.800 -0.252 0.000 2.403 252 G HA2 0.338 4.298 3.960 -0.000 0.000 0.259 252 G HA3 0.338 4.298 3.960 -0.000 0.000 0.259 252 G C 0.826 175.643 174.900 -0.139 0.000 1.244 252 G CA -0.382 44.611 45.100 -0.179 0.000 0.849 252 G HN 0.478 nan 8.290 nan 0.000 0.532 253 T N -1.359 113.149 114.554 -0.077 0.000 3.043 253 T HA 0.168 4.517 4.350 -0.000 0.000 0.272 253 T C 0.369 175.045 174.700 -0.039 0.000 0.990 253 T CA 0.271 62.341 62.100 -0.051 0.000 0.897 253 T CB 0.097 68.952 68.868 -0.023 0.000 1.111 253 T HN 0.583 nan 8.240 nan 0.000 0.529 254 D N 0.524 120.899 120.400 -0.042 0.000 2.432 254 D HA 0.218 4.858 4.640 -0.000 0.000 0.258 254 D C 1.459 177.739 176.300 -0.033 0.000 1.146 254 D CA -0.755 53.227 54.000 -0.030 0.000 1.015 254 D CB 0.865 41.650 40.800 -0.025 0.000 1.107 254 D HN 0.030 nan 8.370 nan 0.000 0.529 255 Q N -0.300 119.485 119.800 -0.024 0.000 2.182 255 Q HA -0.295 4.045 4.340 -0.000 0.000 0.213 255 Q C 1.450 177.433 176.000 -0.028 0.000 1.000 255 Q CA 2.872 58.662 55.803 -0.022 0.000 0.889 255 Q CB -0.136 28.593 28.738 -0.015 0.000 0.932 255 Q HN 0.638 nan 8.270 nan 0.000 0.415 256 S N -1.217 114.464 115.700 -0.031 0.000 2.483 256 S HA 0.006 4.475 4.470 -0.000 0.000 0.221 256 S C 1.825 176.394 174.600 -0.052 0.000 1.030 256 S CA 0.418 58.597 58.200 -0.035 0.000 0.925 256 S CB 0.275 63.458 63.200 -0.028 0.000 0.795 256 S HN 0.429 nan 8.310 nan 0.000 0.511 257 S N 1.074 116.737 115.700 -0.062 0.000 2.558 257 S HA 0.232 4.702 4.470 -0.000 0.000 0.217 257 S C 0.449 174.967 174.600 -0.137 0.000 0.975 257 S CA -0.451 57.693 58.200 -0.094 0.000 0.912 257 S CB -0.688 62.462 63.200 -0.084 0.000 0.776 257 S HN 0.340 nan 8.310 nan 0.000 0.526 258 L N 2.909 124.068 121.223 -0.106 0.000 2.562 258 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 258 L C 1.110 177.890 176.870 -0.149 0.000 1.167 258 L CA 1.593 56.362 54.840 -0.118 0.000 0.917 258 L CB -0.244 41.776 42.059 -0.065 0.000 1.187 258 L HN 0.509 nan 8.230 nan 0.000 0.482 259 G N 2.722 111.364 108.800 -0.263 0.000 2.138 259 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.193 259 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.193 259 G C -0.025 174.600 174.900 -0.458 0.000 0.998 259 G CA 0.174 45.117 45.100 -0.260 0.000 0.668 259 G HN 0.733 nan 8.290 nan 0.000 0.516 260 Q N -0.917 118.471 119.800 -0.687 0.000 2.359 260 Q HA 0.852 5.192 4.340 -0.000 0.000 0.275 260 Q C -1.088 174.294 176.000 -1.031 0.000 1.082 260 Q CA -1.027 54.434 55.803 -0.571 0.000 0.849 260 Q CB 1.367 29.951 28.738 -0.257 0.000 1.377 260 Q HN 0.200 nan 8.270 nan 0.000 0.452 261 F N -0.292 119.649 119.950 -0.016 0.000 2.613 261 F HA 0.471 4.997 4.527 -0.000 0.000 0.310 261 F C -0.403 175.370 175.800 -0.045 0.000 1.085 261 F CA -0.816 57.172 58.000 -0.019 0.000 0.945 261 F CB 2.436 41.432 39.000 -0.006 0.000 1.298 261 F HN 0.353 nan 8.300 nan 0.000 0.455 262 S N 0.686 116.460 115.700 0.124 0.000 2.594 262 S HA 0.703 5.173 4.470 -0.000 0.000 0.296 262 S C -0.467 174.130 174.600 -0.005 0.000 1.124 262 S CA -0.518 57.698 58.200 0.027 0.000 1.011 262 S CB 1.085 64.283 63.200 -0.004 0.000 1.016 262 S HN 1.021 nan 8.310 nan 0.000 0.485 263 G N 3.437 112.220 108.800 -0.029 0.000 2.349 263 G HA2 0.396 4.356 3.960 -0.000 0.000 0.281 263 G HA3 0.396 4.356 3.960 -0.000 0.000 0.281 263 G C -0.338 174.517 174.900 -0.075 0.000 1.182 263 G CA -0.512 44.557 45.100 -0.052 0.000 0.899 263 G HN 0.733 nan 8.290 nan 0.000 0.455 264 R N 3.024 123.406 120.500 -0.196 0.000 2.275 264 R HA 0.395 4.735 4.340 -0.000 0.000 0.326 264 R C -0.775 175.461 176.300 -0.106 0.000 0.973 264 R CA -0.577 55.399 56.100 -0.206 0.000 0.854 264 R CB 1.446 31.466 30.300 -0.466 0.000 1.156 264 R HN 0.389 nan 8.270 nan 0.000 0.487 265 V N 4.817 124.760 119.914 0.048 0.000 2.461 265 V HA 0.285 4.405 4.120 -0.000 0.000 0.275 265 V C -0.873 175.316 176.094 0.159 0.000 1.047 265 V CA 0.024 62.400 62.300 0.126 0.000 0.955 265 V CB 1.386 33.308 31.823 0.165 0.000 0.988 265 V HN 0.915 nan 8.190 nan 0.000 0.471 266 Q N 4.675 124.594 119.800 0.199 0.000 2.483 266 Q HA 0.393 4.733 4.340 -0.000 0.000 0.245 266 Q C -1.420 174.702 176.000 0.204 0.000 0.902 266 Q CA -0.522 55.408 55.803 0.211 0.000 0.767 266 Q CB 1.566 30.451 28.738 0.244 0.000 1.341 266 Q HN 0.861 nan 8.270 nan 0.000 0.453 267 Q N 1.627 121.556 119.800 0.214 0.000 2.316 267 Q HA 0.461 4.800 4.340 -0.000 0.000 0.264 267 Q C -1.113 174.996 176.000 0.181 0.000 0.987 267 Q CA -0.207 55.717 55.803 0.201 0.000 0.852 267 Q CB 1.800 30.709 28.738 0.286 0.000 1.287 267 Q HN 0.614 nan 8.270 nan 0.000 0.448 268 T N 2.032 116.625 114.554 0.065 0.000 2.913 268 T HA 0.754 5.104 4.350 -0.000 0.000 0.287 268 T C -0.309 174.301 174.700 -0.150 0.000 1.008 268 T CA -0.502 61.576 62.100 -0.038 0.000 1.067 268 T CB 0.326 69.129 68.868 -0.108 0.000 0.996 268 T HN 0.518 nan 8.240 nan 0.000 0.513 269 F N -1.845 117.823 119.950 -0.470 0.000 2.703 269 F HA 0.722 5.249 4.527 -0.000 0.000 0.308 269 F C -1.478 174.007 175.800 -0.525 0.000 1.126 269 F CA -1.422 56.157 58.000 -0.702 0.000 0.959 269 F CB 1.570 39.773 39.000 -1.327 0.000 1.297 269 F HN 0.396 nan 8.300 nan 0.000 0.441 270 K N 1.155 121.276 120.400 -0.465 0.000 2.259 270 K HA 0.453 4.773 4.320 -0.000 0.000 0.252 270 K C -1.902 174.561 176.600 -0.227 0.000 0.936 270 K CA -1.115 54.924 56.287 -0.413 0.000 0.810 270 K CB 2.070 34.390 32.500 -0.301 0.000 1.143 270 K HN 0.889 nan 8.250 nan 0.000 0.427 271 H N 0.613 119.486 119.070 -0.329 0.000 3.092 271 H HA 0.236 4.792 4.556 -0.000 0.000 0.308 271 H C -1.560 173.663 175.328 -0.174 0.000 1.047 271 H CA -0.483 55.432 56.048 -0.223 0.000 1.466 271 H CB 0.791 30.416 29.762 -0.228 0.000 1.597 271 H HN 0.527 nan 8.280 nan 0.000 0.512 272 S N 3.871 119.320 115.700 -0.419 0.000 2.498 272 S HA 0.497 4.967 4.470 -0.000 0.000 0.317 272 S C -0.751 173.680 174.600 -0.283 0.000 1.090 272 S CA -0.931 57.094 58.200 -0.292 0.000 1.089 272 S CB 1.553 64.634 63.200 -0.198 0.000 0.997 272 S HN 0.319 nan 8.310 nan 0.000 0.470 273 V N 5.491 125.307 119.914 -0.163 0.000 2.364 273 V HA 0.408 4.527 4.120 -0.000 0.000 0.272 273 V C -1.868 174.231 176.094 0.008 0.000 1.036 273 V CA -1.830 60.438 62.300 -0.054 0.000 0.880 273 V CB 0.932 32.823 31.823 0.114 0.000 0.991 273 V HN 0.780 nan 8.190 nan 0.000 0.460 274 P HA 0.097 nan 4.420 nan 0.000 0.271 274 P C -0.100 177.269 177.300 0.114 0.000 1.218 274 P CA -0.618 62.503 63.100 0.034 0.000 0.780 274 P CB 0.674 32.386 31.700 0.020 0.000 0.901 275 R N 2.233 122.786 120.500 0.089 0.000 2.695 275 R HA -0.091 4.249 4.340 -0.000 0.000 0.304 275 R C -0.608 175.822 176.300 0.217 0.000 0.836 275 R CA 0.382 56.554 56.100 0.120 0.000 1.135 275 R CB -0.745 29.568 30.300 0.022 0.000 0.882 275 R HN 0.420 nan 8.270 nan 0.000 0.413 276 F N 6.211 126.240 119.950 0.132 0.000 2.495 276 F HA 0.387 4.914 4.527 -0.000 0.000 0.327 276 F C -1.352 174.522 175.800 0.124 0.000 1.103 276 F CA -1.661 56.408 58.000 0.115 0.000 0.949 276 F CB 1.027 40.090 39.000 0.104 0.000 1.142 276 F HN 0.428 nan 8.300 nan 0.000 0.457 277 F N 6.994 126.371 119.950 -0.954 0.000 2.404 277 F HA 0.535 5.062 4.527 -0.000 0.000 0.358 277 F C -1.050 173.962 175.800 -1.313 0.000 1.120 277 F CA -0.948 56.549 58.000 -0.838 0.000 1.144 277 F CB 0.767 39.498 39.000 -0.449 0.000 1.133 277 F HN 0.221 nan 8.300 nan 0.000 0.495 278 V N 10.294 129.336 119.914 -1.453 0.000 2.356 278 V HA 0.160 4.280 4.120 -0.000 0.000 0.258 278 V C -1.360 173.970 176.094 -1.274 0.000 1.065 278 V CA -0.988 60.572 62.300 -1.234 0.000 0.935 278 V CB 0.676 32.135 31.823 -0.608 0.000 1.061 278 V HN 0.694 nan 8.190 nan 0.000 0.484 279 P HA -0.020 nan 4.420 nan 0.000 0.220 279 P C 0.268 177.485 177.300 -0.139 0.000 1.152 279 P CA 0.938 63.730 63.100 -0.512 0.000 0.812 279 P CB 0.896 32.542 31.700 -0.090 0.000 0.792 280 E N -1.868 118.332 120.200 -0.001 0.000 2.429 280 E HA 0.301 4.651 4.350 -0.000 0.000 0.276 280 E C -0.754 175.930 176.600 0.141 0.000 0.953 280 E CA -0.933 55.569 56.400 0.171 0.000 0.787 280 E CB 0.770 30.619 29.700 0.248 0.000 1.307 280 E HN 0.070 nan 8.360 nan 0.000 0.458 281 H N 0.002 119.111 119.070 0.065 0.000 2.929 281 H HA 0.446 5.002 4.556 -0.000 0.000 0.358 281 H C 0.623 175.599 175.328 -0.586 0.000 1.111 281 H CA 1.505 57.510 56.048 -0.071 0.000 1.409 281 H CB 0.596 30.505 29.762 0.245 0.000 1.373 281 H HN 0.707 nan 8.280 nan 0.000 0.610 282 G N -0.348 107.934 108.800 -0.863 0.000 2.336 282 G HA2 0.359 4.319 3.960 -0.000 0.000 0.286 282 G HA3 0.359 4.319 3.960 -0.000 0.000 0.286 282 G C -1.719 172.731 174.900 -0.751 0.000 1.269 282 G CA -0.325 43.929 45.100 -1.409 0.000 0.873 282 G HN 0.593 nan 8.290 nan 0.000 0.494 283 V N 0.790 120.409 119.914 -0.490 0.000 2.769 283 V HA 0.725 4.845 4.120 -0.000 0.000 0.312 283 V C -0.334 175.716 176.094 -0.072 0.000 1.061 283 V CA -0.842 61.344 62.300 -0.189 0.000 0.931 283 V CB 1.902 33.651 31.823 -0.124 0.000 1.010 283 V HN 0.672 nan 8.190 nan 0.000 0.433 284 M N 4.667 124.264 119.600 -0.006 0.000 2.036 284 M HA 0.533 5.013 4.480 -0.000 0.000 0.337 284 M C -0.752 175.622 176.300 0.124 0.000 1.012 284 M CA -0.023 55.235 55.300 -0.070 0.000 0.962 284 M CB 0.804 33.120 32.600 -0.473 0.000 1.423 284 M HN 0.552 nan 8.290 nan 0.000 0.405 285 M N 1.902 121.602 119.600 0.167 0.000 2.300 285 M HA 0.451 4.931 4.480 -0.000 0.000 0.348 285 M C -0.177 176.282 176.300 0.266 0.000 1.151 285 M CA -0.195 55.261 55.300 0.259 0.000 1.046 285 M CB 1.936 34.672 32.600 0.228 0.000 1.647 285 M HN 0.444 nan 8.290 nan 0.000 0.451 286 T N 4.324 119.049 114.554 0.286 0.000 2.840 286 T HA 0.698 5.048 4.350 -0.000 0.000 0.287 286 T C -0.860 173.972 174.700 0.220 0.000 0.991 286 T CA -0.626 61.639 62.100 0.274 0.000 0.964 286 T CB 0.902 69.994 68.868 0.374 0.000 0.954 286 T HN 0.313 nan 8.240 nan 0.000 0.438 287 L N 2.011 123.340 121.223 0.177 0.000 2.301 287 L HA 0.989 5.329 4.340 -0.000 0.000 0.264 287 L C 0.040 176.850 176.870 -0.101 0.000 1.016 287 L CA -1.029 53.855 54.840 0.073 0.000 0.821 287 L CB 1.378 43.476 42.059 0.066 0.000 1.346 287 L HN 0.724 nan 8.230 nan 0.000 0.429 288 A N 1.112 123.758 122.820 -0.290 0.000 2.386 288 A HA 0.976 5.296 4.320 -0.000 0.000 0.308 288 A C -1.643 175.725 177.584 -0.361 0.000 1.128 288 A CA -0.533 51.109 52.037 -0.657 0.000 0.789 288 A CB 1.759 20.055 19.000 -1.174 0.000 1.325 288 A HN 0.677 nan 8.150 nan 0.000 0.437 289 L N 1.991 122.971 121.223 -0.405 0.000 2.596 289 L HA 0.508 4.848 4.340 -0.000 0.000 0.265 289 L C -1.742 174.879 176.870 -0.416 0.000 0.962 289 L CA -0.259 54.422 54.840 -0.265 0.000 0.891 289 L CB 1.498 43.569 42.059 0.020 0.000 1.248 289 L HN 0.535 nan 8.230 nan 0.000 0.410 290 I N 4.103 124.340 120.570 -0.555 0.000 2.336 290 I HA 0.576 4.746 4.170 -0.000 0.000 0.292 290 I C 0.165 176.038 176.117 -0.406 0.000 0.991 290 I CA -0.355 60.582 61.300 -0.605 0.000 1.227 290 I CB 1.133 38.622 38.000 -0.851 0.000 1.366 290 I HN 0.672 nan 8.210 nan 0.000 0.466 291 R N 4.178 124.443 120.500 -0.391 0.000 2.836 291 R HA 0.666 5.006 4.340 -0.000 0.000 0.269 291 R C -1.619 174.525 176.300 -0.260 0.000 1.010 291 R CA -0.745 55.207 56.100 -0.247 0.000 0.930 291 R CB 2.481 32.731 30.300 -0.082 0.000 1.218 291 R HN 0.245 nan 8.270 nan 0.000 0.473 292 F N 2.230 122.197 119.950 0.028 0.000 2.482 292 F HA 0.385 4.912 4.527 -0.000 0.000 0.331 292 F C -1.787 174.182 175.800 0.281 0.000 1.115 292 F CA -2.524 55.557 58.000 0.134 0.000 0.955 292 F CB 1.555 40.613 39.000 0.097 0.000 1.136 292 F HN 0.217 nan 8.300 nan 0.000 0.452 293 P HA 0.040 nan 4.420 nan 0.000 0.264 293 P C -2.482 175.092 177.300 0.457 0.000 1.193 293 P CA -1.106 62.249 63.100 0.425 0.000 0.763 293 P CB 0.142 32.078 31.700 0.393 0.000 0.810 294 P HA 0.059 nan 4.420 nan 0.000 0.238 294 P C 0.073 177.609 177.300 0.395 0.000 1.729 294 P CA 0.127 63.492 63.100 0.443 0.000 1.055 294 P CB -0.279 31.654 31.700 0.387 0.000 1.980 295 I N 0.739 121.516 120.570 0.345 0.000 2.575 295 I HA 0.232 4.402 4.170 -0.000 0.000 0.285 295 I C 0.999 177.207 176.117 0.152 0.000 1.085 295 I CA -0.066 61.360 61.300 0.209 0.000 1.403 295 I CB 0.737 38.822 38.000 0.141 0.000 1.409 295 I HN 0.170 nan 8.210 nan 0.000 0.557 296 S N 6.920 122.656 115.700 0.059 0.000 2.614 296 S HA 0.474 4.944 4.470 -0.000 0.000 0.275 296 S C -2.075 172.524 174.600 -0.002 0.000 1.161 296 S CA -0.983 57.251 58.200 0.057 0.000 0.969 296 S CB 2.096 65.409 63.200 0.188 0.000 1.059 296 S HN 0.464 nan 8.310 nan 0.000 0.482 297 P HA 0.042 nan 4.420 nan 0.000 0.236 297 P C 0.805 178.230 177.300 0.208 0.000 1.172 297 P CA 0.498 63.599 63.100 0.002 0.000 0.759 297 P CB 0.074 31.760 31.700 -0.023 0.000 0.843 298 L N -1.212 120.141 121.223 0.218 0.000 2.638 298 L HA 0.240 4.580 4.340 -0.000 0.000 0.232 298 L C 1.442 178.453 176.870 0.235 0.000 1.099 298 L CA -0.082 54.927 54.840 0.282 0.000 0.883 298 L CB 0.022 42.252 42.059 0.285 0.000 1.136 298 L HN -0.024 nan 8.230 nan 0.000 0.492 299 E N 1.260 121.520 120.200 0.100 0.000 2.331 299 E HA 0.147 4.497 4.350 -0.000 0.000 0.272 299 E C -0.842 175.654 176.600 -0.173 0.000 1.036 299 E CA -0.404 55.774 56.400 -0.370 0.000 0.864 299 E CB 0.638 30.068 29.700 -0.449 0.000 1.035 299 E HN 0.203 nan 8.360 nan 0.000 0.408 300 H N 1.695 120.628 119.070 -0.228 0.000 2.946 300 H HA 0.223 4.779 4.556 -0.000 0.000 0.365 300 H C -0.558 174.688 175.328 -0.136 0.000 1.197 300 H CA -0.966 55.011 56.048 -0.117 0.000 1.131 300 H CB 0.728 30.431 29.762 -0.099 0.000 1.849 300 H HN 0.565 nan 8.280 nan 0.000 0.555 301 H N 1.192 120.251 119.070 -0.018 0.000 2.928 301 H HA -0.122 4.433 4.556 -0.000 0.000 0.338 301 H C 0.316 175.634 175.328 -0.017 0.000 1.047 301 H CA 0.634 56.623 56.048 -0.098 0.000 1.435 301 H CB 0.548 30.206 29.762 -0.173 0.000 1.428 301 H HN 0.702 nan 8.280 nan 0.000 0.590 302 Y N 4.871 125.012 120.300 -0.265 0.000 2.114 302 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 302 Y C 2.106 177.935 175.900 -0.118 0.000 1.165 302 Y CA 1.977 59.955 58.100 -0.204 0.000 1.148 302 Y CB -0.340 37.895 38.460 -0.376 0.000 0.972 302 Y HN 0.655 nan 8.280 nan 0.000 0.504 303 L N -0.469 120.715 121.223 -0.064 0.000 2.265 303 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 303 L C 2.648 179.334 176.870 -0.307 0.000 1.117 303 L CA 0.917 55.533 54.840 -0.372 0.000 0.782 303 L CB -0.848 41.009 42.059 -0.337 0.000 0.914 303 L HN 0.364 nan 8.230 nan 0.000 0.441 304 A N 0.037 122.761 122.820 -0.160 0.000 2.014 304 A HA -0.027 4.292 4.320 -0.000 0.000 0.218 304 A C 2.316 179.724 177.584 -0.293 0.000 1.163 304 A CA 1.423 53.340 52.037 -0.199 0.000 0.652 304 A CB -0.707 18.216 19.000 -0.129 0.000 0.808 304 A HN 0.421 nan 8.150 nan 0.000 0.449 305 G N -0.801 107.831 108.800 -0.280 0.000 2.603 305 G HA2 0.087 4.047 3.960 -0.000 0.000 0.214 305 G HA3 0.087 4.047 3.960 -0.000 0.000 0.214 305 G C 0.808 175.518 174.900 -0.317 0.000 1.140 305 G CA 0.355 45.269 45.100 -0.309 0.000 0.800 305 G HN 0.423 nan 8.290 nan 0.000 0.533 306 K N 1.139 121.265 120.400 -0.457 0.000 2.448 306 K HA 0.250 4.570 4.320 -0.000 0.000 0.278 306 K C 1.280 177.734 176.600 -0.244 0.000 1.009 306 K CA 0.271 56.316 56.287 -0.402 0.000 0.995 306 K CB 0.971 33.166 32.500 -0.508 0.000 0.917 306 K HN -0.010 nan 8.250 nan 0.000 0.481 307 S N 2.436 118.034 115.700 -0.170 0.000 2.404 307 S HA -0.016 4.454 4.470 -0.000 0.000 0.223 307 S C -0.041 174.501 174.600 -0.097 0.000 1.040 307 S CA 0.443 58.571 58.200 -0.120 0.000 0.957 307 S CB 0.054 63.202 63.200 -0.087 0.000 0.826 307 S HN 0.579 nan 8.310 nan 0.000 0.491 308 Q N 1.273 121.023 119.800 -0.084 0.000 2.462 308 Q HA 0.443 4.783 4.340 -0.000 0.000 0.247 308 Q C -1.321 174.646 176.000 -0.055 0.000 1.044 308 Q CA 0.041 55.812 55.803 -0.053 0.000 0.803 308 Q CB 0.457 29.179 28.738 -0.027 0.000 1.190 308 Q HN 0.322 nan 8.270 nan 0.000 0.507 309 L N 2.455 123.643 121.223 -0.059 0.000 2.433 309 L HA 0.241 4.581 4.340 -0.000 0.000 0.275 309 L C 0.545 177.423 176.870 0.014 0.000 1.128 309 L CA 0.075 54.886 54.840 -0.048 0.000 0.875 309 L CB 0.656 42.680 42.059 -0.059 0.000 1.171 309 L HN 0.509 nan 8.230 nan 0.000 0.463 310 T N 1.325 115.907 114.554 0.047 0.000 2.943 310 T HA 0.133 4.483 4.350 -0.000 0.000 0.284 310 T C 0.945 175.738 174.700 0.155 0.000 1.015 310 T CA -0.353 61.812 62.100 0.107 0.000 1.042 310 T CB 0.908 69.846 68.868 0.118 0.000 1.055 310 T HN 0.473 nan 8.240 nan 0.000 0.500 311 Y N 2.655 122.999 120.300 0.073 0.000 2.139 311 Y HA -0.196 4.353 4.550 -0.000 0.000 0.282 311 Y C 2.506 178.477 175.900 0.119 0.000 1.179 311 Y CA 2.811 60.960 58.100 0.082 0.000 1.161 311 Y CB -0.873 37.623 38.460 0.059 0.000 0.970 311 Y HN 0.795 nan 8.280 nan 0.000 0.511 312 T N 0.036 114.733 114.554 0.238 0.000 2.881 312 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 312 T C 1.119 175.958 174.700 0.232 0.000 1.068 312 T CA 1.476 63.697 62.100 0.201 0.000 1.131 312 T CB -0.259 68.747 68.868 0.231 0.000 0.871 312 T HN 0.434 nan 8.240 nan 0.000 0.479 313 D N 0.794 121.346 120.400 0.252 0.000 2.144 313 D HA 0.123 4.762 4.640 -0.000 0.000 0.207 313 D C 2.124 178.699 176.300 0.458 0.000 0.970 313 D CA 0.502 54.740 54.000 0.396 0.000 0.853 313 D CB -0.492 40.409 40.800 0.169 0.000 1.007 313 D HN 0.254 nan 8.370 nan 0.000 0.469 314 L N 0.696 122.061 121.223 0.238 0.000 2.034 314 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 314 L C 2.471 179.405 176.870 0.107 0.000 1.074 314 L CA 0.894 55.884 54.840 0.251 0.000 0.748 314 L CB -0.437 41.686 42.059 0.105 0.000 0.905 314 L HN -0.035 nan 8.230 nan 0.000 0.439 315 A N 0.074 122.764 122.820 -0.217 0.000 1.929 315 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 315 A C 1.695 179.072 177.584 -0.346 0.000 1.211 315 A CA 1.882 53.641 52.037 -0.463 0.000 0.657 315 A CB -1.408 16.767 19.000 -1.375 0.000 0.827 315 A HN 0.719 nan 8.150 nan 0.000 0.462 316 G N -0.652 107.978 108.800 -0.283 0.000 2.246 316 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.273 316 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.273 316 G C -0.175 174.585 174.900 -0.234 0.000 1.055 316 G CA 0.558 45.459 45.100 -0.331 0.000 0.851 316 G HN 0.816 nan 8.290 nan 0.000 0.500 317 D N 0.068 120.358 120.400 -0.182 0.000 2.339 317 D HA 0.296 4.936 4.640 -0.000 0.000 0.256 317 D C -0.211 176.069 176.300 -0.033 0.000 1.214 317 D CA -1.863 52.099 54.000 -0.063 0.000 0.877 317 D CB 1.074 41.917 40.800 0.072 0.000 1.111 317 D HN 0.149 nan 8.370 nan 0.000 0.478 318 P HA -0.190 nan 4.420 nan 0.000 0.215 318 P C 1.121 178.416 177.300 -0.010 0.000 1.163 318 P CA 1.983 65.061 63.100 -0.036 0.000 0.894 318 P CB 0.130 31.809 31.700 -0.035 0.000 0.791 319 A N -0.883 121.945 122.820 0.013 0.000 1.958 319 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 319 A C 2.215 179.818 177.584 0.033 0.000 1.178 319 A CA 1.833 53.884 52.037 0.024 0.000 0.642 319 A CB -1.659 17.365 19.000 0.040 0.000 0.816 319 A HN 0.140 nan 8.150 nan 0.000 0.453 320 L N -0.946 120.308 121.223 0.050 0.000 2.084 320 L HA -0.041 4.299 4.340 -0.000 0.000 0.202 320 L C 2.412 179.300 176.870 0.029 0.000 1.074 320 L CA 0.967 55.843 54.840 0.061 0.000 0.757 320 L CB -0.578 41.545 42.059 0.106 0.000 0.918 320 L HN 0.342 nan 8.230 nan 0.000 0.444 321 I N 0.433 121.003 120.570 -0.000 0.000 2.399 321 I HA -0.232 3.938 4.170 -0.000 0.000 0.254 321 I C 2.204 178.298 176.117 -0.038 0.000 1.146 321 I CA 1.498 62.776 61.300 -0.037 0.000 1.412 321 I CB -0.765 37.188 38.000 -0.079 0.000 1.076 321 I HN 0.316 nan 8.210 nan 0.000 0.432 322 G N 0.227 109.014 108.800 -0.022 0.000 2.986 322 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.213 322 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.213 322 G C 0.761 175.658 174.900 -0.004 0.000 1.156 322 G CA -0.022 45.066 45.100 -0.021 0.000 0.763 322 G HN 0.398 nan 8.290 nan 0.000 0.547 323 N N -0.562 118.144 118.700 0.010 0.000 2.194 323 N HA 0.303 5.043 4.740 -0.000 0.000 0.231 323 N C -0.042 175.493 175.510 0.041 0.000 1.247 323 N CA -0.223 52.840 53.050 0.023 0.000 0.884 323 N CB 1.000 39.498 38.487 0.018 0.000 1.146 323 N HN 0.134 nan 8.380 nan 0.000 0.516 324 L N 0.672 121.919 121.223 0.041 0.000 2.387 324 L HA 0.623 4.962 4.340 -0.000 0.000 0.266 324 L C -1.880 175.025 176.870 0.059 0.000 1.059 324 L CA -1.808 53.067 54.840 0.058 0.000 0.801 324 L CB 0.479 42.579 42.059 0.068 0.000 1.223 324 L HN -0.098 nan 8.230 nan 0.000 0.456 325 P HA 0.388 nan 4.420 nan 0.000 0.279 325 P C -2.563 174.780 177.300 0.072 0.000 1.276 325 P CA -1.379 61.768 63.100 0.078 0.000 0.801 325 P CB -0.172 31.575 31.700 0.078 0.000 1.127 326 P HA 0.215 nan 4.420 nan 0.000 0.271 326 P C -0.564 176.781 177.300 0.075 0.000 1.238 326 P CA -0.046 63.095 63.100 0.068 0.000 0.794 326 P CB 0.421 32.174 31.700 0.088 0.000 0.959 327 R N 0.791 121.339 120.500 0.080 0.000 2.494 327 R HA 0.289 4.629 4.340 -0.000 0.000 0.305 327 R C -0.541 175.806 176.300 0.079 0.000 0.959 327 R CA -0.524 55.635 56.100 0.099 0.000 0.864 327 R CB 0.960 31.351 30.300 0.151 0.000 1.159 327 R HN 0.397 nan 8.270 nan 0.000 0.446 328 E N 5.831 126.075 120.200 0.074 0.000 2.174 328 E HA 0.343 4.693 4.350 -0.000 0.000 0.282 328 E C -0.653 175.994 176.600 0.078 0.000 0.992 328 E CA -0.584 55.854 56.400 0.064 0.000 0.803 328 E CB 0.761 30.490 29.700 0.048 0.000 1.090 328 E HN 0.582 nan 8.360 nan 0.000 0.396 329 I N 0.214 120.836 120.570 0.087 0.000 3.279 329 I HA 0.620 4.790 4.170 -0.000 0.000 0.315 329 I C -0.746 175.457 176.117 0.143 0.000 1.187 329 I CA -0.952 60.417 61.300 0.115 0.000 0.953 329 I CB 2.183 40.246 38.000 0.106 0.000 1.279 329 I HN 0.447 nan 8.210 nan 0.000 0.465 330 S N 0.629 116.434 115.700 0.174 0.000 2.638 330 S HA 0.481 4.951 4.470 -0.000 0.000 0.302 330 S C 0.370 175.175 174.600 0.343 0.000 1.096 330 S CA -0.600 57.729 58.200 0.214 0.000 0.953 330 S CB 1.220 64.500 63.200 0.133 0.000 1.107 330 S HN 0.652 nan 8.310 nan 0.000 0.503 331 Y N 0.715 121.089 120.300 0.124 0.000 2.298 331 Y HA -0.079 4.470 4.550 -0.000 0.000 0.287 331 Y C 2.627 178.648 175.900 0.202 0.000 1.164 331 Y CA 1.338 59.549 58.100 0.186 0.000 1.229 331 Y CB -0.734 37.778 38.460 0.087 0.000 0.977 331 Y HN 0.751 nan 8.280 nan 0.000 0.538 332 R N 0.702 121.374 120.500 0.286 0.000 2.120 332 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 332 R C 1.347 177.758 176.300 0.185 0.000 1.123 332 R CA 1.610 57.829 56.100 0.199 0.000 0.975 332 R CB -0.304 30.075 30.300 0.131 0.000 0.866 332 R HN 0.199 nan 8.270 nan 0.000 0.446 333 D N -0.531 119.978 120.400 0.182 0.000 2.363 333 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 333 D C 1.115 177.469 176.300 0.091 0.000 1.020 333 D CA 0.751 54.856 54.000 0.175 0.000 0.892 333 D CB 0.405 41.351 40.800 0.244 0.000 0.900 333 D HN 0.341 nan 8.370 nan 0.000 0.531 334 L N -1.592 119.570 121.223 -0.102 0.000 2.766 334 L HA 0.199 4.539 4.340 -0.000 0.000 0.241 334 L C -0.009 176.189 176.870 -1.119 0.000 1.080 334 L CA 0.153 54.589 54.840 -0.673 0.000 0.909 334 L CB 0.620 42.308 42.059 -0.618 0.000 1.277 334 L HN -0.188 nan 8.230 nan 0.000 0.510 335 F N -1.101 118.694 119.950 -0.258 0.000 2.546 335 F HA 0.412 4.939 4.527 -0.000 0.000 0.320 335 F C 1.247 177.088 175.800 0.069 0.000 1.076 335 F CA -0.804 57.119 58.000 -0.129 0.000 0.928 335 F CB 1.541 40.428 39.000 -0.187 0.000 1.189 335 F HN -0.264 nan 8.300 nan 0.000 0.465 336 R N 1.075 121.744 120.500 0.282 0.000 2.073 336 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 336 R C 0.921 177.294 176.300 0.121 0.000 1.134 336 R CA 2.144 58.340 56.100 0.159 0.000 0.952 336 R CB -0.239 30.098 30.300 0.061 0.000 0.850 336 R HN 0.832 nan 8.270 nan 0.000 0.433 337 D N -0.438 120.038 120.400 0.126 0.000 2.395 337 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 337 D C 0.290 176.631 176.300 0.070 0.000 1.146 337 D CA -0.093 53.952 54.000 0.075 0.000 0.830 337 D CB -0.189 40.644 40.800 0.056 0.000 0.958 337 D HN 0.242 nan 8.370 nan 0.000 0.501 338 G N 0.818 109.704 108.800 0.143 0.000 2.414 338 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.236 338 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.236 338 G C -0.093 174.879 174.900 0.119 0.000 1.293 338 G CA -0.586 44.611 45.100 0.162 0.000 0.869 338 G HN 0.254 nan 8.290 nan 0.000 0.556 339 R N 1.131 121.693 120.500 0.103 0.000 2.316 339 R HA 0.168 4.508 4.340 -0.000 0.000 0.314 339 R C 1.724 178.062 176.300 0.063 0.000 1.069 339 R CA 0.304 56.432 56.100 0.047 0.000 0.959 339 R CB 0.488 30.778 30.300 -0.016 0.000 0.987 339 R HN 0.623 nan 8.270 nan 0.000 0.446 340 S N 2.384 118.113 115.700 0.048 0.000 2.481 340 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 340 S C 1.632 176.242 174.600 0.017 0.000 0.996 340 S CA 0.594 58.824 58.200 0.050 0.000 0.942 340 S CB 0.347 63.572 63.200 0.041 0.000 0.768 340 S HN 0.773 nan 8.310 nan 0.000 0.520 341 G N 0.887 109.679 108.800 -0.012 0.000 2.712 341 G HA2 0.272 4.232 3.960 -0.000 0.000 0.212 341 G HA3 0.272 4.232 3.960 -0.000 0.000 0.212 341 G C 0.452 175.309 174.900 -0.072 0.000 1.142 341 G CA -0.199 44.882 45.100 -0.033 0.000 0.789 341 G HN 0.560 nan 8.290 nan 0.000 0.535 342 I N 2.003 122.497 120.570 -0.128 0.000 2.291 342 I HA 0.227 4.396 4.170 -0.000 0.000 0.290 342 I C -0.382 175.641 176.117 -0.158 0.000 1.050 342 I CA -0.529 60.616 61.300 -0.258 0.000 1.245 342 I CB 1.088 38.694 38.000 -0.657 0.000 1.405 342 I HN -0.164 nan 8.210 nan 0.000 0.478 343 K N 8.041 128.391 120.400 -0.083 0.000 2.138 343 K HA 0.675 4.995 4.320 -0.000 0.000 0.263 343 K C -0.465 176.144 176.600 0.015 0.000 0.965 343 K CA -0.580 55.704 56.287 -0.004 0.000 0.868 343 K CB 2.554 35.050 32.500 -0.006 0.000 1.083 343 K HN 0.610 nan 8.250 nan 0.000 0.443 344 I N -2.005 118.617 120.570 0.086 0.000 2.769 344 I HA 0.460 4.630 4.170 -0.000 0.000 0.298 344 I C -0.905 175.257 176.117 0.075 0.000 1.128 344 I CA -1.095 60.267 61.300 0.103 0.000 1.031 344 I CB 2.355 40.497 38.000 0.237 0.000 1.235 344 I HN 0.230 nan 8.210 nan 0.000 0.423 345 K N 5.067 125.495 120.400 0.046 0.000 2.334 345 K HA 0.542 4.862 4.320 -0.000 0.000 0.265 345 K C -0.421 176.212 176.600 0.055 0.000 1.039 345 K CA -0.655 55.659 56.287 0.045 0.000 0.920 345 K CB 1.985 34.501 32.500 0.027 0.000 1.160 345 K HN 0.601 nan 8.250 nan 0.000 0.451 346 V N -0.497 119.448 119.914 0.052 0.000 3.096 346 V HA 0.796 4.916 4.120 -0.000 0.000 0.319 346 V C -0.017 176.079 176.094 0.003 0.000 1.082 346 V CA -1.096 61.222 62.300 0.030 0.000 1.022 346 V CB 1.551 33.392 31.823 0.030 0.000 1.103 346 V HN 0.675 nan 8.190 nan 0.000 0.455 347 A N 0.989 123.776 122.820 -0.054 0.000 2.331 347 A HA 0.524 4.844 4.320 -0.000 0.000 0.283 347 A C 0.341 177.819 177.584 -0.177 0.000 1.142 347 A CA -0.459 51.516 52.037 -0.103 0.000 0.812 347 A CB -0.013 18.903 19.000 -0.141 0.000 1.074 347 A HN 0.908 nan 8.150 nan 0.000 0.497 348 E N 1.265 121.380 120.200 -0.141 0.000 2.565 348 E HA -0.019 4.330 4.350 -0.000 0.000 0.268 348 E C 0.658 176.925 176.600 -0.555 0.000 1.000 348 E CA 0.926 57.197 56.400 -0.214 0.000 0.964 348 E CB 0.221 29.881 29.700 -0.066 0.000 0.955 348 E HN 0.767 nan 8.360 nan 0.000 0.459 349 S N 1.297 116.322 115.700 -1.124 0.000 3.486 349 S HA -0.241 4.229 4.470 -0.000 0.000 0.371 349 S C 1.039 174.934 174.600 -1.175 0.000 1.001 349 S CA 0.702 58.007 58.200 -1.491 0.000 1.164 349 S CB -1.201 61.729 63.200 -0.449 0.000 0.911 349 S HN 0.630 nan 8.310 nan 0.000 0.472 350 I N -0.140 119.731 120.570 -1.165 0.000 2.716 350 I HA -0.077 4.093 4.170 -0.000 0.000 0.259 350 I C 1.790 177.712 176.117 -0.325 0.000 1.172 350 I CA 1.068 62.073 61.300 -0.491 0.000 1.478 350 I CB -0.029 37.815 38.000 -0.261 0.000 1.104 350 I HN 0.757 nan 8.210 nan 0.000 0.439 351 W N -0.618 120.648 121.300 -0.057 0.000 2.538 351 W HA -0.127 4.533 4.660 -0.000 0.000 0.254 351 W C 1.167 177.661 176.519 -0.043 0.000 1.249 351 W CA 0.116 57.386 57.345 -0.125 0.000 1.253 351 W CB -1.228 28.173 29.460 -0.099 0.000 1.130 351 W HN 0.084 nan 8.180 nan 0.000 0.618 352 Y N 0.800 120.987 120.300 -0.188 0.000 2.458 352 Y HA 0.285 4.835 4.550 -0.000 0.000 0.256 352 Y C 1.966 177.837 175.900 -0.049 0.000 1.159 352 Y CA 0.012 58.094 58.100 -0.030 0.000 1.261 352 Y CB -0.106 38.283 38.460 -0.118 0.000 1.119 352 Y HN -0.019 nan 8.280 nan 0.000 0.524 353 R N -1.526 119.002 120.500 0.046 0.000 2.335 353 R HA 0.204 4.544 4.340 -0.000 0.000 0.210 353 R C 0.125 176.450 176.300 0.041 0.000 0.892 353 R CA 0.433 56.545 56.100 0.020 0.000 1.048 353 R CB 0.873 31.142 30.300 -0.051 0.000 1.067 353 R HN -0.042 nan 8.270 nan 0.000 0.524 354 T N -0.458 114.131 114.554 0.057 0.000 2.942 354 T HA 0.155 4.505 4.350 -0.000 0.000 0.327 354 T C -1.987 172.770 174.700 0.096 0.000 1.360 354 T CA -0.601 61.544 62.100 0.075 0.000 1.055 354 T CB 1.566 70.453 68.868 0.031 0.000 1.261 354 T HN 0.085 nan 8.240 nan 0.000 0.485 355 H N 3.640 122.739 119.070 0.047 0.000 2.499 355 H HA 0.667 5.223 4.556 -0.000 0.000 0.340 355 H C -2.205 173.142 175.328 0.032 0.000 1.148 355 H CA -1.485 54.599 56.048 0.060 0.000 1.215 355 H CB 2.093 31.908 29.762 0.089 0.000 1.529 355 H HN 0.477 nan 8.280 nan 0.000 0.510 356 P HA 0.216 nan 4.420 nan 0.000 0.290 356 P C -0.667 176.771 177.300 0.230 0.000 1.283 356 P CA -0.675 62.492 63.100 0.112 0.000 0.869 356 P CB 1.907 33.590 31.700 -0.028 0.000 1.100 357 D N 0.359 120.857 120.400 0.163 0.000 2.368 357 D HA 0.065 4.704 4.640 -0.000 0.000 0.240 357 D C -0.710 175.691 176.300 0.168 0.000 1.169 357 D CA 0.883 54.970 54.000 0.144 0.000 0.906 357 D CB 0.505 41.358 40.800 0.088 0.000 1.187 357 D HN 0.353 nan 8.370 nan 0.000 0.435 358 Y N 0.461 120.747 120.300 -0.023 0.000 2.391 358 Y HA 0.415 4.965 4.550 -0.000 0.000 0.341 358 Y C -1.435 174.358 175.900 -0.179 0.000 0.965 358 Y CA -0.767 57.299 58.100 -0.056 0.000 1.067 358 Y CB 1.295 39.761 38.460 0.010 0.000 1.199 358 Y HN 0.050 nan 8.280 nan 0.000 0.450 359 V N 6.768 126.149 119.914 -0.889 0.000 2.482 359 V HA 0.226 4.346 4.120 -0.000 0.000 0.295 359 V C -0.347 175.175 176.094 -0.953 0.000 1.026 359 V CA -1.302 60.369 62.300 -1.048 0.000 0.856 359 V CB 1.519 32.729 31.823 -1.022 0.000 1.001 359 V HN 0.868 nan 8.190 nan 0.000 0.424 360 N N 3.029 121.243 118.700 -0.811 0.000 2.357 360 N HA -0.076 4.664 4.740 -0.000 0.000 0.257 360 N C 0.900 176.453 175.510 0.071 0.000 1.250 360 N CA 0.272 53.200 53.050 -0.203 0.000 0.862 360 N CB 0.456 38.986 38.487 0.072 0.000 1.066 360 N HN 0.661 nan 8.380 nan 0.000 0.468 361 F N 3.723 123.696 119.950 0.039 0.000 2.380 361 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 361 F C 2.004 177.893 175.800 0.148 0.000 1.064 361 F CA 1.162 59.209 58.000 0.078 0.000 1.432 361 F CB 0.187 39.212 39.000 0.042 0.000 1.089 361 F HN 0.511 nan 8.300 nan 0.000 0.562 362 K N -0.032 120.419 120.400 0.085 0.000 2.057 362 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 362 K C 1.860 178.378 176.600 -0.136 0.000 1.049 362 K CA 1.625 57.883 56.287 -0.048 0.000 0.931 362 K CB -0.908 31.524 32.500 -0.114 0.000 0.714 362 K HN 0.380 nan 8.250 nan 0.000 0.440 363 Y N 0.466 120.661 120.300 -0.176 0.000 2.574 363 Y HA -0.172 4.378 4.550 -0.000 0.000 0.294 363 Y C 2.138 177.967 175.900 -0.119 0.000 1.142 363 Y CA 1.330 59.324 58.100 -0.177 0.000 1.314 363 Y CB -0.893 37.376 38.460 -0.318 0.000 0.991 363 Y HN 0.420 nan 8.280 nan 0.000 0.555 364 H N 0.959 119.928 119.070 -0.170 0.000 2.437 364 H HA -0.201 4.355 4.556 -0.000 0.000 0.296 364 H C 1.018 176.266 175.328 -0.134 0.000 1.121 364 H CA 2.045 57.913 56.048 -0.299 0.000 1.255 364 H CB -0.241 28.925 29.762 -0.994 0.000 1.366 364 H HN 0.454 nan 8.280 nan 0.000 0.512 365 D N -0.327 119.640 120.400 -0.722 0.000 2.599 365 D HA 0.071 4.711 4.640 -0.000 0.000 0.249 365 D C -0.355 175.858 176.300 -0.145 0.000 1.313 365 D CA -0.266 53.406 54.000 -0.546 0.000 0.815 365 D CB -0.445 39.919 40.800 -0.727 0.000 1.077 365 D HN 0.357 nan 8.370 nan 0.000 0.492 366 L N 1.582 122.827 121.223 0.036 0.000 2.265 366 L HA 0.359 4.698 4.340 -0.000 0.000 0.288 366 L C 0.353 177.391 176.870 0.281 0.000 1.058 366 L CA -0.610 54.317 54.840 0.144 0.000 0.809 366 L CB 0.756 43.010 42.059 0.326 0.000 1.179 366 L HN -0.064 nan 8.230 nan 0.000 0.429 367 H N 2.341 121.412 119.070 0.003 0.000 2.683 367 H HA 0.273 4.829 4.556 -0.000 0.000 0.339 367 H C 0.927 176.160 175.328 -0.157 0.000 1.081 367 H CA 0.354 56.372 56.048 -0.050 0.000 1.432 367 H CB 1.188 30.918 29.762 -0.053 0.000 1.462 367 H HN 0.957 nan 8.280 nan 0.000 0.557 368 G N 2.748 111.470 108.800 -0.130 0.000 2.260 368 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.179 368 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.179 368 G C -0.489 174.054 174.900 -0.594 0.000 1.002 368 G CA -0.685 44.187 45.100 -0.380 0.000 0.677 368 G HN 0.427 nan 8.290 nan 0.000 0.486 369 F N 1.837 121.626 119.950 -0.269 0.000 2.436 369 F HA 0.534 5.061 4.527 -0.000 0.000 0.340 369 F C -1.495 173.919 175.800 -0.644 0.000 1.113 369 F CA -2.441 55.218 58.000 -0.567 0.000 1.022 369 F CB 2.066 40.704 39.000 -0.603 0.000 1.128 369 F HN -0.176 nan 8.300 nan 0.000 0.466 370 P HA 0.045 nan 4.420 nan 0.000 0.254 370 P C -0.626 176.507 177.300 -0.278 0.000 1.631 370 P CA 0.274 63.016 63.100 -0.596 0.000 0.861 370 P CB -0.525 30.294 31.700 -1.468 0.000 1.663 371 F N 0.115 120.060 119.950 -0.009 0.000 2.370 371 F HA 0.273 4.800 4.527 -0.000 0.000 0.319 371 F C 1.395 177.208 175.800 0.022 0.000 1.129 371 F CA -1.432 56.578 58.000 0.016 0.000 1.109 371 F CB 0.289 39.272 39.000 -0.029 0.000 1.262 371 F HN -0.222 nan 8.300 nan 0.000 0.534 372 L N 2.688 124.060 121.223 0.248 0.000 2.334 372 L HA 0.195 4.535 4.340 -0.000 0.000 0.286 372 L C 0.389 177.308 176.870 0.081 0.000 1.108 372 L CA -0.183 54.706 54.840 0.081 0.000 0.875 372 L CB 0.030 42.117 42.059 0.047 0.000 1.246 372 L HN 0.525 nan 8.230 nan 0.000 0.439 373 D N 1.266 121.708 120.400 0.070 0.000 2.352 373 D HA 0.028 4.668 4.640 -0.000 0.000 0.232 373 D C -0.058 176.295 176.300 0.089 0.000 1.055 373 D CA 0.858 54.917 54.000 0.099 0.000 0.891 373 D CB 0.337 41.185 40.800 0.079 0.000 0.897 373 D HN 0.448 nan 8.370 nan 0.000 0.529 374 D N -0.369 120.036 120.400 0.009 0.000 2.990 374 D HA 0.302 4.942 4.640 -0.000 0.000 0.227 374 D C -0.480 175.715 176.300 -0.175 0.000 1.249 374 D CA -0.539 53.441 54.000 -0.034 0.000 0.891 374 D CB 2.194 42.973 40.800 -0.036 0.000 1.647 374 D HN -0.091 nan 8.370 nan 0.000 0.530 375 A N 3.803 126.466 122.820 -0.261 0.000 2.598 375 A HA 0.177 4.496 4.320 -0.000 0.000 0.239 375 A C -1.989 175.203 177.584 -0.654 0.000 1.032 375 A CA -0.351 51.261 52.037 -0.709 0.000 0.760 375 A CB -0.447 18.179 19.000 -0.623 0.000 0.946 375 A HN 0.281 nan 8.150 nan 0.000 0.512 376 P HA 0.096 nan 4.420 nan 0.000 0.264 376 P C 0.926 178.105 177.300 -0.202 0.000 1.183 376 P CA 1.559 64.345 63.100 -0.523 0.000 0.763 376 P CB 0.510 31.691 31.700 -0.865 0.000 0.807 377 G N 2.398 111.162 108.800 -0.061 0.000 2.179 377 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.260 377 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.260 377 G C 1.103 175.972 174.900 -0.052 0.000 0.977 377 G CA 0.530 45.618 45.100 -0.019 0.000 0.641 377 G HN 0.489 nan 8.290 nan 0.000 0.533 378 T N 0.663 115.167 114.554 -0.083 0.000 2.849 378 T HA 0.036 4.386 4.350 -0.000 0.000 0.270 378 T C 2.193 176.870 174.700 -0.039 0.000 1.066 378 T CA 2.293 64.353 62.100 -0.066 0.000 1.130 378 T CB -0.220 68.601 68.868 -0.078 0.000 0.864 378 T HN 1.233 nan 8.240 nan 0.000 0.481 379 S N -0.138 115.542 115.700 -0.034 0.000 2.754 379 S HA 0.171 4.640 4.470 -0.000 0.000 0.247 379 S C 1.183 175.772 174.600 -0.018 0.000 1.031 379 S CA -0.009 58.177 58.200 -0.024 0.000 1.014 379 S CB 0.236 63.421 63.200 -0.026 0.000 0.918 379 S HN 0.480 nan 8.310 nan 0.000 0.519 380 T N -2.636 111.909 114.554 -0.015 0.000 3.043 380 T HA 0.589 4.939 4.350 -0.000 0.000 0.272 380 T C 1.037 175.732 174.700 -0.009 0.000 0.990 380 T CA 0.297 62.393 62.100 -0.006 0.000 0.897 380 T CB 0.251 69.125 68.868 0.010 0.000 1.111 380 T HN 1.393 nan 8.240 nan 0.000 0.529 381 G N 1.648 110.438 108.800 -0.018 0.000 2.756 381 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.678 381 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.678 381 G C -0.935 173.943 174.900 -0.035 0.000 1.349 381 G CA -0.480 44.608 45.100 -0.021 0.000 0.847 381 G HN 0.278 nan 8.290 nan 0.000 0.548 382 D N 1.106 121.484 120.400 -0.038 0.000 2.736 382 D HA 0.053 4.693 4.640 -0.000 0.000 0.228 382 D C 0.659 176.928 176.300 -0.052 0.000 1.077 382 D CA 0.857 54.823 54.000 -0.057 0.000 1.096 382 D CB -0.621 40.153 40.800 -0.043 0.000 1.138 382 D HN 0.527 nan 8.370 nan 0.000 0.461 383 N N 1.407 120.078 118.700 -0.049 0.000 2.504 383 N HA 0.052 4.792 4.740 -0.000 0.000 0.280 383 N C 0.859 176.371 175.510 0.003 0.000 1.052 383 N CA -0.649 52.395 53.050 -0.010 0.000 0.887 383 N CB 1.216 39.714 38.487 0.018 0.000 1.323 383 N HN -0.092 nan 8.380 nan 0.000 0.509 384 L N 4.051 125.283 121.223 0.015 0.000 1.971 384 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 384 L C 2.442 179.458 176.870 0.242 0.000 1.072 384 L CA 2.036 56.925 54.840 0.083 0.000 0.758 384 L CB -0.737 41.384 42.059 0.104 0.000 0.889 384 L HN 0.766 nan 8.230 nan 0.000 0.433 385 Q N -0.893 119.095 119.800 0.312 0.000 2.112 385 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 385 Q C 1.987 178.098 176.000 0.186 0.000 0.987 385 Q CA 2.035 58.006 55.803 0.279 0.000 0.858 385 Q CB -0.123 28.742 28.738 0.212 0.000 0.905 385 Q HN 0.578 nan 8.270 nan 0.000 0.420 386 E N -0.459 119.825 120.200 0.141 0.000 2.265 386 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 386 E C 1.609 178.301 176.600 0.155 0.000 0.996 386 E CA 0.944 57.413 56.400 0.114 0.000 0.832 386 E CB -0.007 29.733 29.700 0.066 0.000 0.756 386 E HN 0.467 nan 8.360 nan 0.000 0.491 387 A N 0.733 123.668 122.820 0.192 0.000 1.935 387 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 387 A C 2.226 180.083 177.584 0.456 0.000 1.178 387 A CA 0.332 52.532 52.037 0.272 0.000 0.640 387 A CB -0.302 18.853 19.000 0.258 0.000 0.825 387 A HN 0.104 nan 8.150 nan 0.000 0.447 388 I N 0.170 121.007 120.570 0.446 0.000 2.252 388 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 388 I C 0.358 176.728 176.117 0.421 0.000 1.102 388 I CA 0.460 62.048 61.300 0.481 0.000 1.385 388 I CB -0.309 37.911 38.000 0.368 0.000 1.064 388 I HN 0.163 nan 8.210 nan 0.000 0.414 389 L N 1.615 123.004 121.223 0.277 0.000 2.455 389 L HA 0.057 4.397 4.340 -0.000 0.000 0.272 389 L C -0.133 176.848 176.870 0.185 0.000 1.174 389 L CA -0.339 54.616 54.840 0.193 0.000 0.869 389 L CB 0.531 42.678 42.059 0.146 0.000 1.130 389 L HN -0.113 nan 8.230 nan 0.000 0.474 390 V N 4.060 123.992 119.914 0.030 0.000 2.529 390 V HA 0.017 4.137 4.120 -0.000 0.000 0.292 390 V C 0.639 176.813 176.094 0.133 0.000 1.028 390 V CA -0.089 62.173 62.300 -0.064 0.000 1.074 390 V CB 0.369 32.099 31.823 -0.156 0.000 0.958 390 V HN 0.669 nan 8.190 nan 0.000 0.481 391 R N 3.356 123.957 120.500 0.169 0.000 2.230 391 R HA 0.232 4.572 4.340 -0.000 0.000 0.337 391 R C 1.425 177.783 176.300 0.096 0.000 1.063 391 R CA -0.529 55.612 56.100 0.068 0.000 0.935 391 R CB 0.288 30.599 30.300 0.019 0.000 1.121 391 R HN 0.981 nan 8.270 nan 0.000 0.486 392 H N 1.938 121.140 119.070 0.221 0.000 2.457 392 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 392 H C 0.901 176.392 175.328 0.273 0.000 1.092 392 H CA 1.477 57.721 56.048 0.325 0.000 1.309 392 H CB 0.149 30.027 29.762 0.194 0.000 1.382 392 H HN 0.576 nan 8.280 nan 0.000 0.535 393 Q N 0.651 120.342 119.800 -0.181 0.000 2.170 393 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 393 Q C 1.480 177.477 176.000 -0.004 0.000 0.976 393 Q CA 1.375 57.162 55.803 -0.027 0.000 0.858 393 Q CB -0.143 28.510 28.738 -0.141 0.000 0.907 393 Q HN 0.564 nan 8.270 nan 0.000 0.433 394 D N -0.952 119.371 120.400 -0.129 0.000 2.322 394 D HA -0.179 4.461 4.640 -0.000 0.000 0.210 394 D C 0.640 176.708 176.300 -0.386 0.000 0.983 394 D CA 1.119 54.935 54.000 -0.305 0.000 0.902 394 D CB -0.007 40.515 40.800 -0.463 0.000 0.905 394 D HN 0.442 nan 8.370 nan 0.000 0.483 395 Y N -0.030 120.369 120.300 0.165 0.000 2.462 395 Y HA 0.104 4.654 4.550 -0.000 0.000 0.253 395 Y C 1.760 177.780 175.900 0.199 0.000 1.095 395 Y CA -0.328 57.878 58.100 0.177 0.000 1.283 395 Y CB 0.189 38.864 38.460 0.358 0.000 1.138 395 Y HN -0.181 nan 8.280 nan 0.000 0.522 396 D N 0.970 121.567 120.400 0.328 0.000 2.191 396 D HA -0.274 4.366 4.640 -0.000 0.000 0.195 396 D C 2.243 178.639 176.300 0.161 0.000 1.003 396 D CA 1.644 55.813 54.000 0.281 0.000 0.867 396 D CB -0.271 40.621 40.800 0.153 0.000 0.926 396 D HN 0.384 nan 8.370 nan 0.000 0.450 397 A N 0.742 123.565 122.820 0.005 0.000 1.948 397 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 397 A C 2.390 179.873 177.584 -0.169 0.000 1.177 397 A CA 1.881 53.812 52.037 -0.176 0.000 0.636 397 A CB -0.844 17.975 19.000 -0.302 0.000 0.815 397 A HN 0.548 nan 8.150 nan 0.000 0.449 398 C N -2.756 116.437 119.300 -0.178 0.000 2.625 398 C HA 0.635 5.095 4.460 -0.000 0.000 0.285 398 C C 0.102 174.851 174.990 -0.401 0.000 1.279 398 C CA -1.290 57.540 59.018 -0.314 0.000 1.698 398 C CB -2.200 25.276 27.740 -0.440 0.000 1.821 398 C HN 0.214 nan 8.230 nan 0.000 0.600 399 F N 1.041 120.996 119.950 0.008 0.000 2.469 399 F HA 0.415 4.942 4.527 -0.000 0.000 0.332 399 F C 1.466 177.270 175.800 0.005 0.000 1.103 399 F CA -0.555 57.455 58.000 0.016 0.000 0.979 399 F CB 1.140 40.163 39.000 0.038 0.000 1.137 399 F HN 0.019 nan 8.300 nan 0.000 0.463 400 Q N 1.058 120.980 119.800 0.203 0.000 2.135 400 Q HA -0.096 4.243 4.340 -0.000 0.000 0.204 400 Q C 0.019 176.079 176.000 0.101 0.000 0.981 400 Q CA 1.512 57.382 55.803 0.111 0.000 0.856 400 Q CB 0.122 28.907 28.738 0.078 0.000 0.902 400 Q HN 0.593 nan 8.270 nan 0.000 0.425 401 S N -1.305 114.462 115.700 0.110 0.000 2.605 401 S HA 0.101 4.571 4.470 -0.000 0.000 0.324 401 S C -1.399 173.196 174.600 -0.009 0.000 0.978 401 S CA -0.836 57.395 58.200 0.050 0.000 0.864 401 S CB 0.887 64.106 63.200 0.030 0.000 1.095 401 S HN 0.160 nan 8.310 nan 0.000 0.460 402 Q N 2.513 122.281 119.800 -0.053 0.000 3.254 402 Q HA 0.203 4.543 4.340 -0.000 0.000 0.315 402 Q C 1.087 177.020 176.000 -0.111 0.000 1.405 402 Q CA -0.317 55.396 55.803 -0.149 0.000 0.966 402 Q CB 0.439 29.066 28.738 -0.185 0.000 1.706 402 Q HN 0.680 nan 8.270 nan 0.000 0.525 403 Q N 0.738 120.492 119.800 -0.077 0.000 2.230 403 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 403 Q C 0.180 176.134 176.000 -0.077 0.000 0.963 403 Q CA 1.192 56.962 55.803 -0.055 0.000 0.866 403 Q CB 0.450 29.171 28.738 -0.029 0.000 0.931 403 Q HN 0.526 nan 8.270 nan 0.000 0.452 404 L N 0.906 122.061 121.223 -0.114 0.000 2.999 404 L HA 0.274 4.613 4.340 -0.000 0.000 0.263 404 L C -0.512 176.203 176.870 -0.258 0.000 1.320 404 L CA -0.450 54.304 54.840 -0.144 0.000 0.913 404 L CB 0.074 42.075 42.059 -0.096 0.000 1.296 404 L HN 0.210 nan 8.230 nan 0.000 0.546 405 L N -1.397 119.657 121.223 -0.282 0.000 7.463 405 L HA -0.439 3.901 4.340 -0.000 0.000 0.090 405 L C 1.283 177.856 176.870 -0.495 0.000 1.277 405 L CA 0.866 55.458 54.840 -0.415 0.000 1.534 405 L CB -0.666 41.065 42.059 -0.546 0.000 2.792 405 L HN 0.411 nan 8.230 nan 0.000 1.138 406 Q N -0.683 118.773 119.800 -0.573 0.000 2.123 406 Q HA -0.022 4.318 4.340 -0.000 0.000 0.196 406 Q C 0.337 176.101 176.000 -0.393 0.000 0.958 406 Q CA 2.075 57.454 55.803 -0.705 0.000 0.841 406 Q CB 0.179 28.665 28.738 -0.420 0.000 0.915 406 Q HN 0.583 nan 8.270 nan 0.000 0.455 407 W N 1.006 122.148 121.300 -0.263 0.000 3.164 407 W HA 0.616 5.275 4.660 -0.000 0.000 0.325 407 W C -0.961 175.505 176.519 -0.089 0.000 1.228 407 W CA -0.805 56.457 57.345 -0.139 0.000 1.024 407 W CB 0.470 29.860 29.460 -0.117 0.000 1.534 407 W HN 0.105 nan 8.180 nan 0.000 0.614 408 N N 0.526 119.491 118.700 0.442 0.000 3.521 408 N HA 0.454 5.194 4.740 -0.000 0.000 0.228 408 N C -1.709 174.070 175.510 0.448 0.000 1.328 408 N CA -0.953 52.246 53.050 0.248 0.000 0.907 408 N CB 1.616 40.130 38.487 0.044 0.000 1.487 408 N HN 0.603 nan 8.380 nan 0.000 0.503 409 K N -1.130 119.507 120.400 0.396 0.000 2.615 409 K HA 0.612 4.932 4.320 -0.000 0.000 0.291 409 K C -1.909 174.821 176.600 0.216 0.000 1.017 409 K CA -0.733 55.766 56.287 0.354 0.000 0.882 409 K CB 1.117 33.892 32.500 0.459 0.000 1.522 409 K HN 0.824 nan 8.250 nan 0.000 0.412 410 Q N 0.272 120.135 119.800 0.105 0.000 2.284 410 Q HA 0.857 5.197 4.340 -0.000 0.000 0.269 410 Q C -1.585 174.335 176.000 -0.134 0.000 1.026 410 Q CA -1.224 54.433 55.803 -0.243 0.000 0.831 410 Q CB 2.384 30.730 28.738 -0.655 0.000 1.322 410 Q HN 0.973 nan 8.270 nan 0.000 0.419 411 A N 1.864 124.611 122.820 -0.121 0.000 2.609 411 A HA 0.793 5.113 4.320 -0.000 0.000 0.291 411 A C -1.688 175.848 177.584 -0.080 0.000 1.096 411 A CA -0.947 51.009 52.037 -0.135 0.000 0.684 411 A CB 2.007 20.919 19.000 -0.146 0.000 1.282 411 A HN 0.773 nan 8.150 nan 0.000 0.412 412 R N 0.398 120.780 120.500 -0.196 0.000 2.294 412 R HA 0.576 4.916 4.340 -0.000 0.000 0.319 412 R C -1.911 174.255 176.300 -0.222 0.000 0.984 412 R CA -0.202 55.823 56.100 -0.125 0.000 0.861 412 R CB 0.482 30.701 30.300 -0.135 0.000 1.104 412 R HN 0.617 nan 8.270 nan 0.000 0.451 413 Y N 3.144 123.264 120.300 -0.301 0.000 2.593 413 Y HA 0.268 4.817 4.550 -0.000 0.000 0.331 413 Y C -0.198 175.607 175.900 -0.157 0.000 0.986 413 Y CA -0.675 57.269 58.100 -0.261 0.000 1.262 413 Y CB 1.019 39.204 38.460 -0.457 0.000 1.098 413 Y HN 0.534 nan 8.280 nan 0.000 0.506 414 N N 3.029 121.702 118.700 -0.045 0.000 2.402 414 N HA 0.331 5.071 4.740 -0.000 0.000 0.252 414 N C -1.220 174.272 175.510 -0.031 0.000 1.118 414 N CA -0.259 52.774 53.050 -0.029 0.000 0.945 414 N CB 1.032 39.474 38.487 -0.073 0.000 1.147 414 N HN 0.166 nan 8.380 nan 0.000 0.495 415 V N 1.830 121.745 119.914 0.002 0.000 2.448 415 V HA 0.350 4.469 4.120 -0.000 0.000 0.295 415 V C -0.184 175.851 176.094 -0.099 0.000 1.025 415 V CA -0.608 61.634 62.300 -0.097 0.000 0.859 415 V CB 1.674 33.480 31.823 -0.029 0.000 0.988 415 V HN 0.516 nan 8.190 nan 0.000 0.431 416 S N 3.495 119.105 115.700 -0.151 0.000 2.519 416 S HA 0.759 5.229 4.470 -0.000 0.000 0.309 416 S C -0.643 173.933 174.600 -0.039 0.000 1.100 416 S CA -0.594 57.556 58.200 -0.083 0.000 1.059 416 S CB 1.872 65.041 63.200 -0.051 0.000 1.008 416 S HN 0.462 nan 8.310 nan 0.000 0.478 417 V N 3.973 123.892 119.914 0.008 0.000 2.525 417 V HA 0.384 4.504 4.120 -0.000 0.000 0.299 417 V C -1.492 174.692 176.094 0.149 0.000 1.034 417 V CA -0.799 61.582 62.300 0.136 0.000 0.863 417 V CB 1.157 33.068 31.823 0.146 0.000 0.999 417 V HN 0.818 nan 8.190 nan 0.000 0.423 418 Y N 4.899 125.212 120.300 0.021 0.000 2.304 418 Y HA 0.764 5.314 4.550 -0.000 0.000 0.328 418 Y C 0.697 176.608 175.900 0.019 0.000 1.123 418 Y CA -0.593 57.509 58.100 0.003 0.000 1.218 418 Y CB 0.980 39.440 38.460 -0.001 0.000 1.207 418 Y HN 0.767 nan 8.280 nan 0.000 0.495 419 R N -0.156 120.417 120.500 0.121 0.000 2.765 419 R HA 0.401 4.741 4.340 -0.000 0.000 0.277 419 R C -2.075 174.234 176.300 0.016 0.000 1.028 419 R CA -1.131 55.037 56.100 0.113 0.000 0.860 419 R CB 0.558 30.941 30.300 0.138 0.000 1.270 419 R HN 0.551 nan 8.270 nan 0.000 0.484 420 H N 1.459 120.569 119.070 0.067 0.000 2.944 420 H HA 0.422 4.978 4.556 -0.000 0.000 0.278 420 H C -0.543 174.814 175.328 0.049 0.000 1.083 420 H CA 0.007 56.089 56.048 0.056 0.000 1.479 420 H CB 0.811 30.607 29.762 0.056 0.000 1.486 420 H HN 0.472 nan 8.280 nan 0.000 0.493 421 M N 4.648 124.307 119.600 0.099 0.000 2.213 421 M HA 0.347 4.827 4.480 -0.000 0.000 0.243 421 M C -2.901 173.429 176.300 0.050 0.000 0.979 421 M CA -1.871 53.474 55.300 0.076 0.000 1.037 421 M CB 1.221 33.855 32.600 0.057 0.000 2.200 421 M HN 0.175 nan 8.290 nan 0.000 0.465 422 P HA 0.099 nan 4.420 nan 0.000 0.265 422 P C -0.384 176.932 177.300 0.028 0.000 1.187 422 P CA 0.096 63.219 63.100 0.039 0.000 0.766 422 P CB 0.475 32.201 31.700 0.043 0.000 0.820 423 T N 1.138 115.703 114.554 0.018 0.000 2.903 423 T HA 0.013 4.363 4.350 -0.000 0.000 0.314 423 T C 1.472 176.181 174.700 0.015 0.000 1.078 423 T CA -0.420 61.687 62.100 0.011 0.000 1.114 423 T CB 0.170 69.041 68.868 0.005 0.000 0.987 423 T HN 0.067 nan 8.240 nan 0.000 0.548 424 V N 4.811 124.733 119.914 0.013 0.000 2.453 424 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 424 V C 2.789 178.891 176.094 0.013 0.000 1.068 424 V CA 2.422 64.731 62.300 0.014 0.000 1.070 424 V CB -0.935 30.895 31.823 0.012 0.000 0.664 424 V HN 0.876 nan 8.190 nan 0.000 0.461 425 R N 0.114 120.620 120.500 0.010 0.000 2.083 425 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 425 R C 2.051 178.358 176.300 0.011 0.000 1.137 425 R CA 2.113 58.219 56.100 0.009 0.000 0.951 425 R CB -0.321 29.983 30.300 0.006 0.000 0.851 425 R HN 0.505 nan 8.270 nan 0.000 0.434 426 D N -0.391 120.017 120.400 0.013 0.000 2.178 426 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 426 D C 1.907 178.218 176.300 0.018 0.000 0.980 426 D CA 1.312 55.322 54.000 0.016 0.000 0.842 426 D CB -0.109 40.702 40.800 0.019 0.000 0.948 426 D HN 0.162 nan 8.370 nan 0.000 0.472 427 S N 0.555 116.267 115.700 0.020 0.000 2.345 427 S HA -0.070 4.400 4.470 -0.000 0.000 0.219 427 S C 2.172 176.783 174.600 0.018 0.000 1.031 427 S CA 0.709 58.922 58.200 0.022 0.000 0.984 427 S CB -0.216 63.000 63.200 0.026 0.000 0.874 427 S HN 0.479 nan 8.310 nan 0.000 0.451 428 I N -1.453 119.127 120.570 0.016 0.000 2.830 428 I HA 0.085 4.255 4.170 -0.000 0.000 0.263 428 I C 0.186 176.310 176.117 0.012 0.000 1.230 428 I CA 0.548 61.856 61.300 0.014 0.000 1.480 428 I CB -0.199 37.809 38.000 0.012 0.000 1.095 428 I HN 0.142 nan 8.210 nan 0.000 0.455 429 M N 1.680 121.287 119.600 0.011 0.000 2.188 429 M HA 0.212 4.692 4.480 -0.000 0.000 0.357 429 M C 1.012 177.318 176.300 0.010 0.000 1.204 429 M CA 0.064 55.370 55.300 0.010 0.000 1.095 429 M CB 0.940 33.545 32.600 0.009 0.000 1.604 429 M HN 0.045 nan 8.290 nan 0.000 0.464 430 T N 1.168 115.727 114.554 0.009 0.000 2.735 430 T HA 0.014 4.364 4.350 -0.000 0.000 0.256 430 T C 0.972 175.677 174.700 0.008 0.000 1.042 430 T CA 1.054 63.159 62.100 0.009 0.000 1.147 430 T CB 0.199 69.071 68.868 0.007 0.000 0.865 430 T HN 0.792 nan 8.240 nan 0.000 0.421 431 S N 0.000 115.704 115.700 0.007 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.204 58.200 0.007 0.000 1.107 431 S CB 0.000 63.203 63.200 0.006 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517