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 1tkb_1_B DATA FIRST_RESID 3 DATA SEQUENCE QFTDIDKLAV STIRILAVDT VSKANSGHPG APLGMAPAAH VLWSQMRMNP DATA SEQUENCE TNPDWINRDR FVLSNGHAVA LLYSMLHLTG YDLSIEDLKQ FRQLGSRTPG DATA SEQUENCE HPEFELPGVE VTTGPLGQGI SNAVGMAMAQ ANLAATYNKP GFTLSDNYTY DATA SEQUENCE VFLGDGCLQE GISSEASSLA GHLKLGNLIA IYDDNKITID GATSISFDED DATA SEQUENCE VAKRYEAYGW EVLYVENGNE DLAGIAKAIA QAKLSKDKPT LIKMTTTIGY DATA SEQUENCE GSLHAGSHSV HGAPLKADDV KQLKSKFGFN PDKSFVVPQE VYDHYQKTIL DATA SEQUENCE KPGVEANNKW NKLFSEYQKK FPELGAELAR RLSGQLPANW ESKLPTYTAK DATA SEQUENCE DSAVATRKLS ETVLEDVYNQ LPELIGGSAD LTPSNLTRWK EALDFQPPSS DATA SEQUENCE GSGNYSGRYI RYGIREHAMG AIMNGISAFG ANYKPYGGTF LNFVSYAAGA DATA SEQUENCE VRLSALSGHP VIWVATHDSI GVGEDGPTHQ PIETLAHFRS LPNIQVWRPA DATA SEQUENCE DGNEVSAAYK NSLESKHTPS IIALSRQNLP QLEGSSIESA SKGGYVLQDV DATA SEQUENCE ANPDIILVAT GSEVSLSVEA AKTLAAKNIK ARVVSLPDFF TFDKQPLEYR DATA SEQUENCE LSVLPDNVPI MSVEVLATTC WGKYAHQSFG IDRFGASGKA PEVFKFFGFT DATA SEQUENCE PEGVAERAQK TIAFYKGDKL ISPLKKAF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.645 176.000 -0.591 0.000 1.003 3 Q CA 0.000 55.610 55.803 -0.321 0.000 1.022 3 Q CB 0.000 28.625 28.738 -0.188 0.000 1.108 4 F N 0.482 120.447 119.950 0.025 0.000 2.577 4 F HA 0.761 5.288 4.527 -0.000 0.000 0.318 4 F C 0.901 176.710 175.800 0.016 0.000 1.065 4 F CA -0.374 57.645 58.000 0.032 0.000 0.929 4 F CB 2.279 41.302 39.000 0.039 0.000 1.237 4 F HN 0.434 nan 8.300 nan 0.000 0.468 5 T N -3.324 111.336 114.554 0.176 0.000 2.742 5 T HA 0.305 4.655 4.350 -0.000 0.000 0.282 5 T C 0.292 175.022 174.700 0.050 0.000 1.025 5 T CA -0.720 61.427 62.100 0.078 0.000 1.020 5 T CB 1.392 70.282 68.868 0.037 0.000 1.317 5 T HN 0.368 nan 8.240 nan 0.000 0.538 6 D N -0.145 120.263 120.400 0.014 0.000 2.190 6 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 6 D C 1.730 177.994 176.300 -0.060 0.000 0.992 6 D CA 0.931 54.924 54.000 -0.012 0.000 0.854 6 D CB -0.230 40.564 40.800 -0.010 0.000 0.936 6 D HN 0.458 nan 8.370 nan 0.000 0.462 7 I N 0.944 121.456 120.570 -0.097 0.000 2.546 7 I HA -0.172 3.998 4.170 -0.000 0.000 0.255 7 I C 1.382 177.296 176.117 -0.338 0.000 1.163 7 I CA 1.340 62.514 61.300 -0.211 0.000 1.457 7 I CB -0.035 37.828 38.000 -0.227 0.000 1.092 7 I HN -0.145 nan 8.210 nan 0.000 0.434 8 D N 0.479 120.754 120.400 -0.209 0.000 2.183 8 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 8 D C 1.945 178.106 176.300 -0.231 0.000 0.969 8 D CA 1.059 54.983 54.000 -0.127 0.000 0.842 8 D CB 0.070 41.054 40.800 0.308 0.000 0.957 8 D HN 0.441 nan 8.370 nan 0.000 0.484 9 K N 0.295 120.614 120.400 -0.135 0.000 2.228 9 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 9 K C 2.021 178.533 176.600 -0.148 0.000 1.051 9 K CA 0.080 56.284 56.287 -0.138 0.000 0.960 9 K CB 0.113 32.574 32.500 -0.064 0.000 0.743 9 K HN -0.017 nan 8.250 nan 0.000 0.458 10 L N 1.177 122.325 121.223 -0.126 0.000 2.056 10 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 10 L C 2.194 178.992 176.870 -0.119 0.000 1.078 10 L CA 1.573 56.377 54.840 -0.060 0.000 0.749 10 L CB -0.555 41.469 42.059 -0.058 0.000 0.901 10 L HN 0.106 nan 8.230 nan 0.000 0.433 11 A N -1.159 121.495 122.820 -0.277 0.000 1.933 11 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 11 A C 2.254 179.654 177.584 -0.306 0.000 1.175 11 A CA 1.936 53.791 52.037 -0.304 0.000 0.628 11 A CB -1.035 17.650 19.000 -0.525 0.000 0.814 11 A HN 0.316 nan 8.150 nan 0.000 0.444 12 V N -0.073 119.606 119.914 -0.391 0.000 2.358 12 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 12 V C 2.770 178.671 176.094 -0.322 0.000 1.047 12 V CA 2.268 64.375 62.300 -0.323 0.000 1.035 12 V CB -0.691 30.949 31.823 -0.305 0.000 0.658 12 V HN 0.584 nan 8.190 nan 0.000 0.452 13 S N -0.218 115.280 115.700 -0.336 0.000 2.382 13 S HA -0.203 4.267 4.470 -0.000 0.000 0.228 13 S C 2.049 176.365 174.600 -0.473 0.000 1.027 13 S CA 1.847 59.767 58.200 -0.468 0.000 0.991 13 S CB -0.503 62.494 63.200 -0.339 0.000 0.823 13 S HN 0.667 nan 8.310 nan 0.000 0.469 14 T N 2.679 117.096 114.554 -0.229 0.000 2.759 14 T HA -0.010 4.340 4.350 -0.000 0.000 0.269 14 T C 1.693 176.285 174.700 -0.180 0.000 1.042 14 T CA 1.158 63.180 62.100 -0.131 0.000 1.140 14 T CB -0.428 68.486 68.868 0.078 0.000 0.864 14 T HN 0.355 nan 8.240 nan 0.000 0.455 15 I N 0.235 120.695 120.570 -0.183 0.000 2.353 15 I HA -0.087 4.083 4.170 -0.000 0.000 0.248 15 I C 2.780 178.776 176.117 -0.201 0.000 1.119 15 I CA 1.013 62.209 61.300 -0.173 0.000 1.417 15 I CB -0.284 37.612 38.000 -0.173 0.000 1.078 15 I HN 0.091 nan 8.210 nan 0.000 0.421 16 R N 0.879 121.230 120.500 -0.248 0.000 2.082 16 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 16 R C 2.346 178.519 176.300 -0.212 0.000 1.136 16 R CA 1.694 57.658 56.100 -0.227 0.000 0.935 16 R CB -0.429 29.692 30.300 -0.297 0.000 0.842 16 R HN 0.298 nan 8.270 nan 0.000 0.430 17 I N 0.442 120.838 120.570 -0.290 0.000 2.353 17 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 17 I C 2.302 178.260 176.117 -0.265 0.000 1.119 17 I CA 0.515 61.646 61.300 -0.282 0.000 1.417 17 I CB -0.198 37.536 38.000 -0.445 0.000 1.078 17 I HN 0.135 nan 8.210 nan 0.000 0.421 18 L N 1.430 122.512 121.223 -0.235 0.000 2.012 18 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 18 L C 2.555 179.285 176.870 -0.234 0.000 1.073 18 L CA 2.230 56.940 54.840 -0.217 0.000 0.748 18 L CB -0.850 41.151 42.059 -0.095 0.000 0.891 18 L HN 0.208 nan 8.230 nan 0.000 0.431 19 A N -1.551 121.154 122.820 -0.191 0.000 2.019 19 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 19 A C 2.229 179.705 177.584 -0.179 0.000 1.164 19 A CA 1.723 53.649 52.037 -0.186 0.000 0.644 19 A CB -0.885 18.019 19.000 -0.159 0.000 0.805 19 A HN 0.335 nan 8.150 nan 0.000 0.449 20 V N 0.284 120.095 119.914 -0.172 0.000 2.323 20 V HA -0.191 3.928 4.120 -0.000 0.000 0.244 20 V C 2.129 178.116 176.094 -0.178 0.000 1.041 20 V CA 2.130 64.347 62.300 -0.137 0.000 1.025 20 V CB -0.727 31.027 31.823 -0.115 0.000 0.656 20 V HN 0.454 nan 8.190 nan 0.000 0.451 21 D N 0.102 120.313 120.400 -0.315 0.000 2.144 21 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 21 D C 2.281 178.322 176.300 -0.432 0.000 0.984 21 D CA 1.786 55.486 54.000 -0.500 0.000 0.834 21 D CB -0.328 39.907 40.800 -0.942 0.000 0.955 21 D HN 0.410 nan 8.370 nan 0.000 0.465 22 T N 0.271 114.641 114.554 -0.307 0.000 2.708 22 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 22 T C 2.251 177.022 174.700 0.120 0.000 1.037 22 T CA 0.758 62.857 62.100 -0.001 0.000 1.146 22 T CB -0.325 68.443 68.868 -0.166 0.000 0.865 22 T HN -0.020 nan 8.240 nan 0.000 0.435 23 V N 1.494 121.433 119.914 0.042 0.000 2.270 23 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 23 V C 2.736 178.921 176.094 0.152 0.000 1.043 23 V CA 1.885 64.304 62.300 0.199 0.000 1.014 23 V CB -0.844 31.036 31.823 0.094 0.000 0.645 23 V HN 0.435 nan 8.190 nan 0.000 0.447 24 S N -0.285 115.451 115.700 0.060 0.000 2.387 24 S HA -0.289 4.181 4.470 -0.000 0.000 0.230 24 S C 1.979 176.632 174.600 0.088 0.000 1.035 24 S CA 1.993 60.222 58.200 0.049 0.000 1.014 24 S CB -0.377 62.825 63.200 0.003 0.000 0.836 24 S HN 0.536 nan 8.310 nan 0.000 0.466 25 K N 2.343 122.829 120.400 0.144 0.000 2.009 25 K HA -0.002 4.318 4.320 -0.000 0.000 0.210 25 K C 1.946 178.642 176.600 0.160 0.000 1.049 25 K CA 1.654 58.062 56.287 0.202 0.000 0.929 25 K CB -0.766 31.959 32.500 0.374 0.000 0.714 25 K HN 0.249 nan 8.250 nan 0.000 0.440 26 A N 0.355 123.290 122.820 0.192 0.000 2.066 26 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 26 A C 0.760 178.365 177.584 0.036 0.000 1.157 26 A CA 1.126 53.222 52.037 0.099 0.000 0.670 26 A CB -0.755 18.288 19.000 0.072 0.000 0.804 26 A HN 0.737 nan 8.150 nan 0.000 0.453 27 N N -1.124 117.609 118.700 0.055 0.000 2.727 27 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 27 N C -0.394 175.112 175.510 -0.005 0.000 1.048 27 N CA 0.531 53.596 53.050 0.026 0.000 0.714 27 N CB -0.858 37.641 38.487 0.020 0.000 0.959 27 N HN 0.492 nan 8.380 nan 0.000 0.544 28 S N -0.864 114.828 115.700 -0.014 0.000 2.560 28 S HA 0.710 5.179 4.470 -0.000 0.000 0.283 28 S C -0.364 174.189 174.600 -0.077 0.000 1.141 28 S CA 0.348 58.503 58.200 -0.074 0.000 0.902 28 S CB 1.702 64.834 63.200 -0.114 0.000 1.104 28 S HN 0.951 nan 8.310 nan 0.000 0.454 29 G N 2.898 111.587 108.800 -0.185 0.000 2.347 29 G HA2 0.238 4.198 3.960 -0.000 0.000 0.341 29 G HA3 0.238 4.198 3.960 -0.000 0.000 0.341 29 G C -2.067 172.587 174.900 -0.410 0.000 1.287 29 G CA -0.860 44.082 45.100 -0.263 0.000 0.984 29 G HN 0.975 nan 8.290 nan 0.000 0.526 30 H N 1.089 120.204 119.070 0.074 0.000 2.685 30 H HA 0.522 5.078 4.556 -0.000 0.000 0.307 30 H C -1.581 173.739 175.328 -0.014 0.000 1.017 30 H CA -1.469 54.566 56.048 -0.022 0.000 1.237 30 H CB 2.332 32.068 29.762 -0.043 0.000 1.409 30 H HN 0.359 nan 8.280 nan 0.000 0.488 31 P HA -0.013 nan 4.420 nan 0.000 0.224 31 P C 1.681 178.997 177.300 0.028 0.000 1.159 31 P CA 0.779 63.896 63.100 0.029 0.000 0.824 31 P CB 0.390 32.100 31.700 0.017 0.000 0.833 32 G N 1.143 109.970 108.800 0.045 0.000 2.476 32 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 32 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 32 G C 1.779 176.708 174.900 0.048 0.000 1.164 32 G CA 1.397 46.532 45.100 0.059 0.000 0.768 32 G HN 0.376 nan 8.290 nan 0.000 0.560 33 A N 1.344 124.187 122.820 0.039 0.000 1.874 33 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 33 A C 0.692 178.261 177.584 -0.024 0.000 1.189 33 A CA 1.611 53.652 52.037 0.008 0.000 0.615 33 A CB -1.069 17.925 19.000 -0.011 0.000 0.830 33 A HN 0.342 nan 8.150 nan 0.000 0.443 34 P HA -0.267 nan 4.420 nan 0.000 0.222 34 P C 1.457 178.727 177.300 -0.049 0.000 1.147 34 P CA 1.594 64.666 63.100 -0.046 0.000 0.958 34 P CB -0.211 31.453 31.700 -0.060 0.000 0.788 35 L N -1.778 119.432 121.223 -0.022 0.000 1.994 35 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 35 L C 2.744 179.613 176.870 -0.002 0.000 1.071 35 L CA 2.071 56.911 54.840 -0.001 0.000 0.745 35 L CB -1.627 40.467 42.059 0.059 0.000 0.892 35 L HN 0.108 nan 8.230 nan 0.000 0.431 36 G N -0.765 108.042 108.800 0.011 0.000 2.422 36 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 36 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 36 G C 1.502 176.330 174.900 -0.121 0.000 1.146 36 G CA 0.426 45.509 45.100 -0.028 0.000 0.769 36 G HN 0.234 nan 8.290 nan 0.000 0.547 37 M N 0.995 120.525 119.600 -0.116 0.000 2.563 37 M HA 0.268 4.748 4.480 -0.000 0.000 0.231 37 M C 2.569 178.817 176.300 -0.088 0.000 1.136 37 M CA 0.142 55.348 55.300 -0.156 0.000 1.026 37 M CB 0.370 32.859 32.600 -0.183 0.000 1.597 37 M HN 0.325 nan 8.290 nan 0.000 0.495 38 A N 1.463 124.218 122.820 -0.109 0.000 1.898 38 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 38 A C -0.508 177.021 177.584 -0.091 0.000 1.181 38 A CA 1.163 53.135 52.037 -0.108 0.000 0.620 38 A CB -1.579 17.321 19.000 -0.166 0.000 0.819 38 A HN 0.288 nan 8.150 nan 0.000 0.442 39 P HA -0.143 nan 4.420 nan 0.000 0.214 39 P C 1.779 179.046 177.300 -0.054 0.000 1.163 39 P CA 2.084 65.110 63.100 -0.122 0.000 0.883 39 P CB -0.167 31.415 31.700 -0.197 0.000 0.788 40 A N -0.284 122.519 122.820 -0.029 0.000 1.978 40 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 40 A C 2.287 180.022 177.584 0.253 0.000 1.170 40 A CA 2.089 54.176 52.037 0.084 0.000 0.636 40 A CB -1.586 17.460 19.000 0.077 0.000 0.810 40 A HN 0.203 nan 8.150 nan 0.000 0.448 41 A N -0.832 122.152 122.820 0.273 0.000 1.873 41 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 41 A C 2.040 179.616 177.584 -0.014 0.000 1.186 41 A CA 2.039 54.129 52.037 0.088 0.000 0.616 41 A CB -0.918 18.029 19.000 -0.089 0.000 0.823 41 A HN 0.709 nan 8.150 nan 0.000 0.442 42 H N 0.073 119.098 119.070 -0.074 0.000 2.265 42 H HA -0.127 4.429 4.556 -0.000 0.000 0.295 42 H C 1.906 177.282 175.328 0.079 0.000 1.084 42 H CA 2.339 58.386 56.048 -0.001 0.000 1.261 42 H CB -0.528 29.211 29.762 -0.038 0.000 1.360 42 H HN 0.109 nan 8.280 nan 0.000 0.487 43 V N 0.338 120.140 119.914 -0.187 0.000 2.270 43 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 43 V C 2.739 178.799 176.094 -0.056 0.000 1.043 43 V CA 1.660 63.844 62.300 -0.193 0.000 1.014 43 V CB -0.862 30.837 31.823 -0.207 0.000 0.645 43 V HN 0.389 nan 8.190 nan 0.000 0.447 44 L N -0.865 120.343 121.223 -0.024 0.000 2.017 44 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 44 L C 2.073 178.883 176.870 -0.100 0.000 1.073 44 L CA 2.147 56.922 54.840 -0.109 0.000 0.745 44 L CB -0.673 41.325 42.059 -0.101 0.000 0.894 44 L HN 0.384 nan 8.230 nan 0.000 0.432 45 W N -0.229 120.911 121.300 -0.268 0.000 2.402 45 W HA -0.062 4.598 4.660 -0.000 0.000 0.286 45 W C 2.819 179.281 176.519 -0.095 0.000 1.221 45 W CA 1.413 58.622 57.345 -0.227 0.000 1.257 45 W CB -0.912 28.388 29.460 -0.268 0.000 1.120 45 W HN 0.101 nan 8.180 nan 0.000 0.551 46 S N -0.071 115.720 115.700 0.152 0.000 2.442 46 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 46 S C 1.502 176.153 174.600 0.086 0.000 1.007 46 S CA 1.618 59.908 58.200 0.151 0.000 0.965 46 S CB -0.319 62.944 63.200 0.107 0.000 0.773 46 S HN 0.499 nan 8.310 nan 0.000 0.504 47 Q N -0.101 119.715 119.800 0.026 0.000 2.219 47 Q HA 0.366 4.706 4.340 -0.000 0.000 0.209 47 Q C 0.268 176.270 176.000 0.003 0.000 0.854 47 Q CA 0.013 55.822 55.803 0.009 0.000 0.960 47 Q CB -0.205 28.526 28.738 -0.011 0.000 1.116 47 Q HN 0.324 nan 8.270 nan 0.000 0.500 48 M N 1.137 120.726 119.600 -0.020 0.000 2.255 48 M HA 0.316 4.796 4.480 -0.000 0.000 0.336 48 M C -0.050 176.289 176.300 0.065 0.000 1.135 48 M CA -0.322 54.986 55.300 0.014 0.000 1.145 48 M CB 1.211 33.738 32.600 -0.121 0.000 1.473 48 M HN 0.164 nan 8.290 nan 0.000 0.462 49 R N 4.120 124.681 120.500 0.102 0.000 2.310 49 R HA 0.697 5.037 4.340 -0.000 0.000 0.324 49 R C -1.513 174.893 176.300 0.175 0.000 0.955 49 R CA -0.187 56.008 56.100 0.159 0.000 0.830 49 R CB 0.867 31.269 30.300 0.170 0.000 1.154 49 R HN 0.902 nan 8.270 nan 0.000 0.458 50 M N 1.707 121.460 119.600 0.255 0.000 2.562 50 M HA 0.322 4.802 4.480 -0.000 0.000 0.281 50 M C -1.988 174.449 176.300 0.229 0.000 1.195 50 M CA -0.868 54.590 55.300 0.263 0.000 0.888 50 M CB 2.136 34.805 32.600 0.115 0.000 1.731 50 M HN 0.447 nan 8.290 nan 0.000 0.493 51 N N 1.827 120.655 118.700 0.215 0.000 2.518 51 N HA 0.433 5.173 4.740 -0.000 0.000 0.254 51 N C -2.452 172.963 175.510 -0.158 0.000 0.979 51 N CA -1.748 51.300 53.050 -0.003 0.000 0.930 51 N CB 2.224 40.661 38.487 -0.083 0.000 1.152 51 N HN 0.359 nan 8.380 nan 0.000 0.505 52 P HA -0.118 nan 4.420 nan 0.000 0.217 52 P C 0.971 177.988 177.300 -0.472 0.000 1.148 52 P CA 1.385 63.951 63.100 -0.891 0.000 0.828 52 P CB 0.304 31.567 31.700 -0.727 0.000 0.783 53 T N -1.934 112.473 114.554 -0.246 0.000 2.833 53 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 53 T C 0.864 175.513 174.700 -0.084 0.000 1.054 53 T CA 1.012 63.032 62.100 -0.133 0.000 1.135 53 T CB -0.599 68.200 68.868 -0.116 0.000 0.869 53 T HN 0.206 nan 8.240 nan 0.000 0.466 54 N N 0.633 119.289 118.700 -0.073 0.000 2.640 54 N HA 0.183 4.923 4.740 -0.000 0.000 0.262 54 N C -2.900 172.646 175.510 0.060 0.000 1.174 54 N CA -1.481 51.561 53.050 -0.013 0.000 0.791 54 N CB 1.864 40.325 38.487 -0.042 0.000 1.279 54 N HN -0.054 nan 8.380 nan 0.000 0.535 55 P HA 0.175 nan 4.420 nan 0.000 0.249 55 P C -0.416 176.938 177.300 0.090 0.000 1.229 55 P CA 0.467 63.665 63.100 0.162 0.000 0.788 55 P CB 0.353 32.198 31.700 0.242 0.000 1.072 56 D N -2.302 118.132 120.400 0.056 0.000 2.501 56 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 56 D C -0.356 175.932 176.300 -0.020 0.000 1.202 56 D CA -0.401 53.595 54.000 -0.007 0.000 0.829 56 D CB -0.150 40.640 40.800 -0.016 0.000 1.023 56 D HN 0.115 nan 8.370 nan 0.000 0.499 57 W N 2.094 123.275 121.300 -0.199 0.000 2.397 57 W HA 0.061 4.721 4.660 0.000 0.000 0.327 57 W C 1.204 177.464 176.519 -0.431 0.000 1.421 57 W CA -1.064 56.090 57.345 -0.317 0.000 1.288 57 W CB 0.179 29.480 29.460 -0.264 0.000 1.312 57 W HN -0.084 nan 8.180 nan 0.000 0.559 58 I N 5.136 125.342 120.570 -0.607 0.000 2.423 58 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 58 I C 1.578 177.142 176.117 -0.922 0.000 1.151 58 I CA 1.735 62.581 61.300 -0.756 0.000 1.421 58 I CB -0.427 37.182 38.000 -0.651 0.000 1.079 58 I HN 0.565 nan 8.210 nan 0.000 0.431 59 N N 0.717 118.526 118.700 -1.485 0.000 2.321 59 N HA 0.075 4.815 4.740 -0.000 0.000 0.242 59 N C -0.205 174.458 175.510 -1.412 0.000 1.141 59 N CA -0.267 52.034 53.050 -1.249 0.000 0.864 59 N CB -0.043 37.794 38.487 -1.085 0.000 1.100 59 N HN 0.360 nan 8.380 nan 0.000 0.510 60 R N -0.547 119.197 120.500 -1.260 0.000 2.490 60 R HA 0.251 4.591 4.340 -0.000 0.000 0.280 60 R C -0.855 175.220 176.300 -0.374 0.000 1.077 60 R CA -0.484 55.160 56.100 -0.761 0.000 1.065 60 R CB 0.421 30.522 30.300 -0.331 0.000 1.003 60 R HN -0.049 nan 8.270 nan 0.000 0.470 61 D N 2.269 122.555 120.400 -0.189 0.000 2.458 61 D HA 0.041 4.680 4.640 -0.000 0.000 0.243 61 D C -0.145 176.122 176.300 -0.054 0.000 1.146 61 D CA 0.352 54.317 54.000 -0.058 0.000 0.877 61 D CB 0.644 41.522 40.800 0.130 0.000 1.176 61 D HN 0.321 nan 8.370 nan 0.000 0.461 62 R N 1.683 122.153 120.500 -0.051 0.000 2.312 62 R HA 0.387 4.727 4.340 -0.000 0.000 0.311 62 R C -0.548 175.796 176.300 0.073 0.000 1.004 62 R CA -0.749 55.343 56.100 -0.014 0.000 0.902 62 R CB 1.053 31.341 30.300 -0.020 0.000 1.073 62 R HN 0.319 nan 8.270 nan 0.000 0.457 63 F N 3.523 123.414 119.950 -0.097 0.000 2.444 63 F HA 0.394 4.921 4.527 -0.000 0.000 0.342 63 F C -0.936 174.847 175.800 -0.028 0.000 1.121 63 F CA -0.882 57.067 58.000 -0.085 0.000 0.997 63 F CB 1.241 40.078 39.000 -0.272 0.000 1.130 63 F HN 0.105 nan 8.300 nan 0.000 0.454 64 V N 7.552 127.119 119.914 -0.577 0.000 2.417 64 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 64 V C -0.693 174.912 176.094 -0.815 0.000 1.024 64 V CA -0.834 61.168 62.300 -0.496 0.000 0.861 64 V CB 1.564 33.266 31.823 -0.202 0.000 0.985 64 V HN 0.685 nan 8.190 nan 0.000 0.436 65 L N 4.434 125.318 121.223 -0.564 0.000 2.288 65 L HA 0.397 4.737 4.340 -0.000 0.000 0.283 65 L C 1.252 178.073 176.870 -0.083 0.000 1.072 65 L CA 0.842 55.516 54.840 -0.277 0.000 0.862 65 L CB 1.340 43.369 42.059 -0.050 0.000 1.245 65 L HN 0.678 nan 8.230 nan 0.000 0.432 66 S N 3.273 118.956 115.700 -0.029 0.000 2.395 66 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 66 S C 0.955 175.581 174.600 0.044 0.000 1.027 66 S CA 0.962 59.170 58.200 0.013 0.000 0.965 66 S CB -0.357 62.858 63.200 0.025 0.000 0.812 66 S HN 0.917 nan 8.310 nan 0.000 0.482 67 N N 0.835 119.562 118.700 0.045 0.000 3.027 67 N HA 0.177 4.917 4.740 -0.000 0.000 0.309 67 N C 1.065 176.514 175.510 -0.102 0.000 1.222 67 N CA 0.207 53.265 53.050 0.013 0.000 1.187 67 N CB 0.362 38.836 38.487 -0.022 0.000 1.458 67 N HN 0.272 nan 8.380 nan 0.000 0.535 68 G N 1.555 110.383 108.800 0.047 0.000 2.516 68 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.221 68 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.221 68 G C 1.314 176.278 174.900 0.107 0.000 1.107 68 G CA 0.727 45.883 45.100 0.095 0.000 0.747 68 G HN 0.841 nan 8.290 nan 0.000 0.567 69 H N -0.475 118.668 119.070 0.121 0.000 2.546 69 H HA 0.289 4.845 4.556 -0.000 0.000 0.277 69 H C 2.171 177.475 175.328 -0.039 0.000 1.004 69 H CA 0.782 56.807 56.048 -0.038 0.000 1.231 69 H CB -0.474 29.077 29.762 -0.352 0.000 1.382 69 H HN 0.297 nan 8.280 nan 0.000 0.580 70 A N 1.612 124.184 122.820 -0.414 0.000 2.238 70 A HA 0.146 4.466 4.320 -0.000 0.000 0.208 70 A C 2.391 179.897 177.584 -0.130 0.000 1.177 70 A CA 0.453 52.347 52.037 -0.239 0.000 0.804 70 A CB -0.787 18.065 19.000 -0.246 0.000 0.823 70 A HN 0.266 nan 8.150 nan 0.000 0.482 71 V N 0.006 119.830 119.914 -0.149 0.000 2.495 71 V HA -0.401 3.719 4.120 -0.000 0.000 0.260 71 V C 2.677 178.499 176.094 -0.454 0.000 1.097 71 V CA 2.424 64.537 62.300 -0.311 0.000 1.105 71 V CB -0.804 30.832 31.823 -0.311 0.000 0.678 71 V HN 0.676 nan 8.190 nan 0.000 0.469 72 A N -0.618 122.012 122.820 -0.317 0.000 1.917 72 A HA -0.267 4.052 4.320 -0.000 0.000 0.219 72 A C 2.230 179.654 177.584 -0.265 0.000 1.182 72 A CA 2.402 54.190 52.037 -0.414 0.000 0.633 72 A CB -0.658 18.137 19.000 -0.342 0.000 0.819 72 A HN 0.658 nan 8.150 nan 0.000 0.448 73 L N -1.117 119.989 121.223 -0.195 0.000 2.046 73 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 73 L C 2.416 179.172 176.870 -0.191 0.000 1.077 73 L CA 1.822 56.566 54.840 -0.160 0.000 0.747 73 L CB -0.212 41.800 42.059 -0.080 0.000 0.896 73 L HN 0.444 nan 8.230 nan 0.000 0.432 74 L N -1.239 119.875 121.223 -0.182 0.000 2.093 74 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 74 L C 2.228 179.038 176.870 -0.101 0.000 1.085 74 L CA 1.725 56.484 54.840 -0.134 0.000 0.755 74 L CB -0.765 41.262 42.059 -0.053 0.000 0.904 74 L HN 0.219 nan 8.230 nan 0.000 0.435 75 Y N -0.278 119.970 120.300 -0.086 0.000 2.200 75 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 75 Y C 2.841 178.692 175.900 -0.083 0.000 1.137 75 Y CA 0.887 58.944 58.100 -0.071 0.000 1.163 75 Y CB -1.333 37.070 38.460 -0.096 0.000 0.988 75 Y HN 0.206 nan 8.280 nan 0.000 0.518 76 S N -0.351 115.348 115.700 -0.003 0.000 2.370 76 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 76 S C 2.071 176.600 174.600 -0.117 0.000 1.033 76 S CA 1.555 59.733 58.200 -0.037 0.000 1.011 76 S CB -0.268 62.864 63.200 -0.113 0.000 0.852 76 S HN 0.307 nan 8.310 nan 0.000 0.457 77 M N 0.883 120.277 119.600 -0.344 0.000 2.156 77 M HA 0.114 4.594 4.480 -0.000 0.000 0.264 77 M C 2.099 178.153 176.300 -0.409 0.000 1.067 77 M CA 1.114 56.021 55.300 -0.656 0.000 1.131 77 M CB -1.531 30.156 32.600 -1.522 0.000 1.368 77 M HN 0.271 nan 8.290 nan 0.000 0.416 78 L N -0.824 120.285 121.223 -0.190 0.000 2.127 78 L HA -0.270 4.070 4.340 -0.000 0.000 0.211 78 L C 2.630 179.650 176.870 0.249 0.000 1.089 78 L CA 1.428 56.312 54.840 0.074 0.000 0.757 78 L CB -0.924 41.159 42.059 0.040 0.000 0.899 78 L HN 0.361 nan 8.230 nan 0.000 0.434 79 H N 0.492 119.623 119.070 0.101 0.000 2.261 79 H HA -0.127 4.429 4.556 -0.000 0.000 0.301 79 H C 2.182 177.619 175.328 0.181 0.000 1.067 79 H CA 1.677 57.811 56.048 0.143 0.000 1.297 79 H CB -0.251 29.581 29.762 0.115 0.000 1.377 79 H HN 0.099 nan 8.280 nan 0.000 0.492 80 L N 0.109 121.264 121.223 -0.114 0.000 2.127 80 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 80 L C 2.227 179.066 176.870 -0.051 0.000 1.089 80 L CA 1.828 56.591 54.840 -0.129 0.000 0.757 80 L CB -0.654 41.316 42.059 -0.148 0.000 0.899 80 L HN 0.545 nan 8.230 nan 0.000 0.434 81 T N -3.759 110.766 114.554 -0.049 0.000 3.129 81 T HA 0.275 4.625 4.350 -0.000 0.000 0.251 81 T C 1.275 176.037 174.700 0.104 0.000 1.117 81 T CA 0.398 62.539 62.100 0.067 0.000 1.034 81 T CB 0.501 69.488 68.868 0.197 0.000 0.968 81 T HN 0.483 nan 8.240 nan 0.000 0.526 82 G N 0.167 109.018 108.800 0.085 0.000 2.131 82 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.201 82 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.201 82 G C -0.213 174.661 174.900 -0.043 0.000 1.000 82 G CA -0.473 44.625 45.100 -0.003 0.000 0.680 82 G HN 0.575 nan 8.290 nan 0.000 0.514 83 Y N 0.352 120.696 120.300 0.072 0.000 2.298 83 Y HA 0.427 4.977 4.550 -0.000 0.000 0.329 83 Y C 1.059 177.006 175.900 0.078 0.000 1.293 83 Y CA -0.155 57.997 58.100 0.087 0.000 1.388 83 Y CB 0.604 39.140 38.460 0.128 0.000 1.309 83 Y HN 0.074 nan 8.280 nan 0.000 0.544 84 D N 2.495 123.032 120.400 0.228 0.000 2.606 84 D HA 0.111 4.750 4.640 -0.000 0.000 0.234 84 D C -1.554 174.833 176.300 0.145 0.000 1.140 84 D CA 0.608 54.694 54.000 0.143 0.000 1.182 84 D CB -0.929 39.934 40.800 0.104 0.000 1.130 84 D HN 0.354 nan 8.370 nan 0.000 0.485 85 L N 1.673 123.001 121.223 0.174 0.000 2.565 85 L HA 0.286 4.626 4.340 -0.000 0.000 0.261 85 L C -0.593 176.402 176.870 0.207 0.000 0.932 85 L CA -0.382 54.539 54.840 0.134 0.000 0.878 85 L CB 1.864 43.999 42.059 0.126 0.000 1.333 85 L HN 0.112 nan 8.230 nan 0.000 0.409 86 S N 3.985 119.740 115.700 0.091 0.000 2.747 86 S HA 0.554 5.024 4.470 -0.000 0.000 0.300 86 S C 1.220 175.732 174.600 -0.145 0.000 1.121 86 S CA -0.934 57.307 58.200 0.068 0.000 0.995 86 S CB 1.099 64.323 63.200 0.040 0.000 1.113 86 S HN 0.518 nan 8.310 nan 0.000 0.547 87 I N 0.611 121.035 120.570 -0.243 0.000 2.264 87 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 87 I C 2.590 178.545 176.117 -0.270 0.000 1.111 87 I CA 1.683 62.813 61.300 -0.284 0.000 1.382 87 I CB -1.542 36.352 38.000 -0.176 0.000 1.060 87 I HN 0.807 nan 8.210 nan 0.000 0.418 88 E N 1.572 121.666 120.200 -0.177 0.000 2.017 88 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 88 E C 1.832 178.352 176.600 -0.134 0.000 0.997 88 E CA 1.627 57.932 56.400 -0.159 0.000 0.804 88 E CB -0.176 29.469 29.700 -0.092 0.000 0.757 88 E HN 0.351 nan 8.360 nan 0.000 0.448 89 D N 0.020 120.362 120.400 -0.097 0.000 2.133 89 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 89 D C 2.120 178.370 176.300 -0.085 0.000 0.997 89 D CA 1.110 55.059 54.000 -0.085 0.000 0.840 89 D CB -0.244 40.505 40.800 -0.086 0.000 0.947 89 D HN 0.253 nan 8.370 nan 0.000 0.452 90 L N 0.413 121.578 121.223 -0.098 0.000 2.131 90 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 90 L C 2.139 179.038 176.870 0.049 0.000 1.092 90 L CA 1.086 55.919 54.840 -0.011 0.000 0.759 90 L CB -0.213 41.867 42.059 0.034 0.000 0.903 90 L HN -0.075 nan 8.230 nan 0.000 0.435 91 K N -0.139 120.172 120.400 -0.148 0.000 2.551 91 K HA -0.052 4.268 4.320 -0.000 0.000 0.192 91 K C 0.550 177.144 176.600 -0.010 0.000 1.027 91 K CA 0.411 56.595 56.287 -0.173 0.000 1.059 91 K CB 0.161 32.410 32.500 -0.418 0.000 0.831 91 K HN 0.364 nan 8.250 nan 0.000 0.508 92 Q N -0.119 119.704 119.800 0.038 0.000 2.106 92 Q HA 0.129 4.469 4.340 -0.000 0.000 0.273 92 Q C -0.924 175.141 176.000 0.107 0.000 0.853 92 Q CA -0.481 55.352 55.803 0.050 0.000 1.118 92 Q CB 0.423 29.163 28.738 0.003 0.000 1.240 92 Q HN 0.123 nan 8.270 nan 0.000 0.445 93 F N 1.835 121.793 119.950 0.013 0.000 2.607 93 F HA 0.020 4.546 4.527 -0.000 0.000 0.374 93 F C 0.971 176.804 175.800 0.056 0.000 1.104 93 F CA 0.731 58.760 58.000 0.049 0.000 1.296 93 F CB 0.285 39.353 39.000 0.112 0.000 1.085 93 F HN 0.261 nan 8.300 nan 0.000 0.584 94 R N 0.861 121.121 120.500 -0.399 0.000 3.994 94 R HA -0.199 4.141 4.340 -0.000 0.000 0.403 94 R C -0.494 175.708 176.300 -0.163 0.000 1.126 94 R CA 0.918 56.775 56.100 -0.405 0.000 1.143 94 R CB -1.379 28.525 30.300 -0.660 0.000 1.695 94 R HN 0.645 nan 8.270 nan 0.000 0.555 95 Q N 0.597 120.350 119.800 -0.079 0.000 2.226 95 Q HA 0.323 4.663 4.340 -0.000 0.000 0.256 95 Q C -0.139 175.850 176.000 -0.018 0.000 0.962 95 Q CA -1.083 54.697 55.803 -0.037 0.000 0.887 95 Q CB 0.991 29.720 28.738 -0.016 0.000 1.282 95 Q HN 0.111 nan 8.270 nan 0.000 0.449 96 L N 1.226 122.443 121.223 -0.010 0.000 2.562 96 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 96 L C 1.015 177.888 176.870 0.003 0.000 1.167 96 L CA 1.892 56.731 54.840 -0.000 0.000 0.917 96 L CB -0.352 41.708 42.059 0.001 0.000 1.187 96 L HN 0.900 nan 8.230 nan 0.000 0.482 97 G N 2.388 111.193 108.800 0.010 0.000 2.159 97 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.256 97 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.256 97 G C 0.342 175.246 174.900 0.006 0.000 0.977 97 G CA 0.435 45.541 45.100 0.010 0.000 0.652 97 G HN 1.136 nan 8.290 nan 0.000 0.531 98 S N -0.929 114.774 115.700 0.005 0.000 2.655 98 S HA 0.610 5.080 4.470 -0.000 0.000 0.265 98 S C 1.231 175.827 174.600 -0.007 0.000 1.240 98 S CA -0.122 58.076 58.200 -0.004 0.000 0.986 98 S CB 1.254 64.453 63.200 -0.001 0.000 0.985 98 S HN 0.302 nan 8.310 nan 0.000 0.562 99 R N 0.149 120.628 120.500 -0.034 0.000 2.313 99 R HA 0.053 4.393 4.340 -0.000 0.000 0.199 99 R C 0.237 176.458 176.300 -0.132 0.000 0.958 99 R CA 0.818 56.885 56.100 -0.055 0.000 1.047 99 R CB -0.476 29.786 30.300 -0.065 0.000 0.955 99 R HN 0.855 nan 8.270 nan 0.000 0.481 100 T N 0.265 114.745 114.554 -0.124 0.000 3.368 100 T HA 0.266 4.616 4.350 -0.000 0.000 0.321 100 T C -2.448 172.382 174.700 0.216 0.000 1.830 100 T CA -2.061 59.943 62.100 -0.159 0.000 1.494 100 T CB 0.855 69.635 68.868 -0.148 0.000 1.045 100 T HN -0.074 nan 8.240 nan 0.000 0.729 101 P HA 0.080 nan 4.420 nan 0.000 0.267 101 P C 1.330 178.827 177.300 0.327 0.000 1.201 101 P CA 0.117 63.361 63.100 0.241 0.000 0.775 101 P CB 0.479 32.321 31.700 0.236 0.000 0.854 102 G N 0.597 109.462 108.800 0.109 0.000 2.625 102 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 102 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 102 G C -0.029 174.815 174.900 -0.093 0.000 1.132 102 G CA 0.705 45.794 45.100 -0.018 0.000 0.782 102 G HN 0.633 nan 8.290 nan 0.000 0.538 103 H N -1.111 118.101 119.070 0.236 0.000 2.974 103 H HA 0.368 4.924 4.556 -0.000 0.000 0.366 103 H C -2.570 172.870 175.328 0.187 0.000 1.155 103 H CA -1.467 54.695 56.048 0.190 0.000 1.186 103 H CB 2.359 32.217 29.762 0.161 0.000 1.799 103 H HN -0.121 nan 8.280 nan 0.000 0.541 104 P HA 0.052 nan 4.420 nan 0.000 0.268 104 P C -0.751 176.694 177.300 0.243 0.000 1.205 104 P CA -0.038 63.193 63.100 0.218 0.000 0.771 104 P CB 1.221 32.987 31.700 0.111 0.000 0.858 105 E N 1.411 121.762 120.200 0.252 0.000 2.199 105 E HA 0.142 4.492 4.350 -0.000 0.000 0.269 105 E C 0.442 177.192 176.600 0.251 0.000 0.899 105 E CA -0.661 55.879 56.400 0.233 0.000 0.772 105 E CB 0.952 30.770 29.700 0.195 0.000 1.155 105 E HN 0.312 nan 8.360 nan 0.000 0.408 106 F N 3.378 123.386 119.950 0.096 0.000 2.106 106 F HA -0.287 4.240 4.527 0.000 0.000 0.299 106 F C 1.393 177.238 175.800 0.075 0.000 1.082 106 F CA 2.159 60.211 58.000 0.086 0.000 1.244 106 F CB 0.087 39.112 39.000 0.042 0.000 0.997 106 F HN 0.531 nan 8.300 nan 0.000 0.486 107 E N 0.333 120.499 120.200 -0.055 0.000 2.409 107 E HA -0.044 4.306 4.350 -0.000 0.000 0.198 107 E C 0.444 176.974 176.600 -0.116 0.000 1.024 107 E CA 0.407 56.691 56.400 -0.193 0.000 0.861 107 E CB -0.351 29.329 29.700 -0.033 0.000 0.788 107 E HN 0.355 nan 8.360 nan 0.000 0.521 108 L N 1.255 122.465 121.223 -0.020 0.000 2.349 108 L HA 0.277 4.617 4.340 -0.000 0.000 0.275 108 L C -2.424 174.450 176.870 0.006 0.000 1.115 108 L CA -2.434 52.420 54.840 0.022 0.000 0.820 108 L CB 0.583 42.704 42.059 0.103 0.000 1.135 108 L HN -0.228 nan 8.230 nan 0.000 0.445 109 P HA 0.127 nan 4.420 nan 0.000 0.258 109 P C 0.487 177.835 177.300 0.080 0.000 1.172 109 P CA 1.361 64.509 63.100 0.079 0.000 0.762 109 P CB 0.359 32.136 31.700 0.127 0.000 0.764 110 G N 1.575 110.404 108.800 0.049 0.000 2.194 110 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 110 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 110 G C -0.003 174.882 174.900 -0.026 0.000 0.987 110 G CA -0.257 44.763 45.100 -0.133 0.000 0.635 110 G HN 0.528 nan 8.290 nan 0.000 0.520 111 V N 1.430 121.377 119.914 0.056 0.000 2.370 111 V HA 0.497 4.617 4.120 -0.000 0.000 0.283 111 V C 1.032 177.213 176.094 0.144 0.000 1.023 111 V CA -0.531 61.842 62.300 0.122 0.000 0.857 111 V CB 1.680 33.599 31.823 0.161 0.000 0.985 111 V HN 0.201 nan 8.190 nan 0.000 0.443 112 E N 2.954 123.262 120.200 0.180 0.000 2.122 112 E HA 0.059 4.409 4.350 -0.000 0.000 0.190 112 E C 0.280 177.132 176.600 0.420 0.000 0.977 112 E CA 0.943 57.483 56.400 0.234 0.000 0.820 112 E CB 0.639 30.412 29.700 0.121 0.000 0.770 112 E HN 0.656 nan 8.360 nan 0.000 0.462 113 V N -2.126 117.992 119.914 0.340 0.000 3.178 113 V HA 0.417 4.537 4.120 -0.000 0.000 0.302 113 V C -0.179 176.077 176.094 0.270 0.000 1.262 113 V CA -1.158 61.321 62.300 0.298 0.000 1.030 113 V CB 1.675 33.561 31.823 0.106 0.000 1.074 113 V HN -0.214 nan 8.190 nan 0.000 0.438 114 T N 3.330 118.036 114.554 0.252 0.000 2.814 114 T HA 0.614 4.964 4.350 -0.000 0.000 0.297 114 T C 0.287 175.075 174.700 0.146 0.000 0.956 114 T CA 0.541 62.763 62.100 0.204 0.000 1.123 114 T CB 0.534 69.509 68.868 0.179 0.000 0.902 114 T HN 1.284 nan 8.240 nan 0.000 0.528 115 T N -0.340 114.298 114.554 0.140 0.000 2.838 115 T HA 0.811 5.161 4.350 -0.000 0.000 0.292 115 T C 0.689 175.470 174.700 0.136 0.000 1.113 115 T CA -0.093 62.073 62.100 0.110 0.000 1.008 115 T CB 2.058 70.976 68.868 0.082 0.000 1.259 115 T HN 0.700 nan 8.240 nan 0.000 0.520 116 G N 0.172 109.040 108.800 0.114 0.000 3.709 116 G HA2 0.059 4.019 3.960 -0.000 0.000 0.196 116 G HA3 0.059 4.019 3.960 -0.000 0.000 0.196 116 G C -2.528 172.390 174.900 0.031 0.000 1.177 116 G CA -0.401 44.770 45.100 0.117 0.000 0.906 116 G HN 0.874 nan 8.290 nan 0.000 0.416 117 P HA 0.392 nan 4.420 nan 0.000 0.261 117 P C 0.374 177.696 177.300 0.037 0.000 1.183 117 P CA 0.213 63.327 63.100 0.022 0.000 0.761 117 P CB 0.427 32.151 31.700 0.039 0.000 0.785 118 L N 2.291 123.531 121.223 0.029 0.000 2.439 118 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 118 L C 1.772 178.637 176.870 -0.009 0.000 1.179 118 L CA 0.587 55.440 54.840 0.021 0.000 0.828 118 L CB -0.138 41.925 42.059 0.007 0.000 1.106 118 L HN 0.781 nan 8.230 nan 0.000 0.467 119 G N 0.853 109.643 108.800 -0.016 0.000 2.205 119 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.261 119 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.261 119 G C 0.932 175.796 174.900 -0.061 0.000 0.980 119 G CA 0.197 45.268 45.100 -0.049 0.000 0.632 119 G HN 0.624 nan 8.290 nan 0.000 0.533 120 Q N 0.087 119.868 119.800 -0.031 0.000 2.212 120 Q HA 0.088 4.428 4.340 -0.000 0.000 0.199 120 Q C 2.705 178.696 176.000 -0.015 0.000 0.950 120 Q CA 1.510 57.298 55.803 -0.025 0.000 0.863 120 Q CB -0.452 28.296 28.738 0.016 0.000 0.944 120 Q HN 0.595 nan 8.270 nan 0.000 0.465 121 G N 1.602 110.400 108.800 -0.002 0.000 2.434 121 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 121 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 121 G C 1.511 176.404 174.900 -0.013 0.000 1.202 121 G CA 0.725 45.820 45.100 -0.008 0.000 0.788 121 G HN 0.330 nan 8.290 nan 0.000 0.539 122 I N 1.578 122.151 120.570 0.005 0.000 2.151 122 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 122 I C 2.836 178.969 176.117 0.027 0.000 1.080 122 I CA 2.386 63.706 61.300 0.035 0.000 1.339 122 I CB -0.349 37.679 38.000 0.047 0.000 1.039 122 I HN 0.157 nan 8.210 nan 0.000 0.409 123 S N 0.449 116.146 115.700 -0.005 0.000 2.399 123 S HA -0.166 4.304 4.470 -0.000 0.000 0.231 123 S C 1.711 176.287 174.600 -0.040 0.000 1.022 123 S CA 1.785 59.972 58.200 -0.022 0.000 0.983 123 S CB -0.992 62.175 63.200 -0.056 0.000 0.803 123 S HN 0.629 nan 8.310 nan 0.000 0.480 124 N N 1.855 120.525 118.700 -0.050 0.000 2.216 124 N HA 0.087 4.827 4.740 -0.000 0.000 0.183 124 N C 1.934 177.399 175.510 -0.075 0.000 1.017 124 N CA 0.854 53.856 53.050 -0.080 0.000 0.861 124 N CB -0.313 38.125 38.487 -0.082 0.000 0.986 124 N HN 0.428 nan 8.380 nan 0.000 0.428 125 A N 0.709 123.500 122.820 -0.047 0.000 1.972 125 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 125 A C 2.282 179.828 177.584 -0.063 0.000 1.169 125 A CA 1.094 53.102 52.037 -0.047 0.000 0.635 125 A CB -0.691 18.299 19.000 -0.017 0.000 0.810 125 A HN 0.113 nan 8.150 nan 0.000 0.446 126 V N -0.258 119.631 119.914 -0.041 0.000 2.427 126 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 126 V C 2.755 178.772 176.094 -0.129 0.000 1.051 126 V CA 1.835 64.101 62.300 -0.056 0.000 1.048 126 V CB -1.275 30.550 31.823 0.003 0.000 0.666 126 V HN 0.612 nan 8.190 nan 0.000 0.456 127 G N -0.750 107.964 108.800 -0.142 0.000 2.402 127 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 127 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 127 G C 1.630 176.359 174.900 -0.286 0.000 1.162 127 G CA 0.925 45.896 45.100 -0.215 0.000 0.777 127 G HN 0.405 nan 8.290 nan 0.000 0.539 128 M N 0.852 120.327 119.600 -0.209 0.000 2.108 128 M HA -0.033 4.447 4.480 -0.000 0.000 0.261 128 M C 3.013 179.106 176.300 -0.346 0.000 1.066 128 M CA 1.492 56.676 55.300 -0.195 0.000 1.107 128 M CB -0.208 32.367 32.600 -0.042 0.000 1.356 128 M HN 0.316 nan 8.290 nan 0.000 0.406 129 A N -0.053 122.595 122.820 -0.287 0.000 1.969 129 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 129 A C 2.077 179.426 177.584 -0.393 0.000 1.169 129 A CA 1.409 53.247 52.037 -0.331 0.000 0.635 129 A CB -0.545 18.299 19.000 -0.259 0.000 0.810 129 A HN 0.460 nan 8.150 nan 0.000 0.445 130 M N -0.589 118.779 119.600 -0.387 0.000 2.077 130 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 130 M C 2.568 178.476 176.300 -0.654 0.000 1.070 130 M CA 1.475 56.504 55.300 -0.452 0.000 1.125 130 M CB -0.415 31.868 32.600 -0.528 0.000 1.339 130 M HN 0.430 nan 8.290 nan 0.000 0.409 131 A N -0.206 122.131 122.820 -0.803 0.000 1.940 131 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 131 A C 2.155 179.118 177.584 -1.034 0.000 1.176 131 A CA 1.651 53.048 52.037 -1.067 0.000 0.631 131 A CB -0.821 17.410 19.000 -1.282 0.000 0.814 131 A HN 0.532 nan 8.150 nan 0.000 0.446 132 Q N 0.078 119.204 119.800 -1.122 0.000 2.061 132 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 132 Q C 2.214 177.982 176.000 -0.388 0.000 0.984 132 Q CA 2.120 57.473 55.803 -0.751 0.000 0.846 132 Q CB -0.541 27.880 28.738 -0.528 0.000 0.902 132 Q HN 0.561 nan 8.270 nan 0.000 0.421 133 A N 1.367 123.949 122.820 -0.397 0.000 1.972 133 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 133 A C 1.970 179.489 177.584 -0.109 0.000 1.169 133 A CA 1.572 53.393 52.037 -0.361 0.000 0.635 133 A CB -0.726 17.879 19.000 -0.658 0.000 0.810 133 A HN 0.573 nan 8.150 nan 0.000 0.446 134 N N -0.402 118.272 118.700 -0.043 0.000 2.250 134 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 134 N C 1.734 177.310 175.510 0.109 0.000 1.017 134 N CA 1.259 54.375 53.050 0.109 0.000 0.866 134 N CB -0.138 38.336 38.487 -0.021 0.000 0.985 134 N HN 0.341 nan 8.380 nan 0.000 0.429 135 L N 1.733 123.025 121.223 0.114 0.000 1.994 135 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 135 L C 2.471 179.451 176.870 0.184 0.000 1.071 135 L CA 1.845 56.843 54.840 0.264 0.000 0.745 135 L CB -0.929 41.315 42.059 0.309 0.000 0.892 135 L HN 0.158 nan 8.230 nan 0.000 0.431 136 A N -0.657 122.206 122.820 0.071 0.000 1.917 136 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 136 A C 2.350 179.957 177.584 0.040 0.000 1.182 136 A CA 2.039 54.103 52.037 0.045 0.000 0.633 136 A CB -1.147 17.836 19.000 -0.029 0.000 0.819 136 A HN 0.550 nan 8.150 nan 0.000 0.448 137 A N -1.614 121.225 122.820 0.033 0.000 2.119 137 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 137 A C 2.114 179.681 177.584 -0.028 0.000 1.152 137 A CA 1.801 53.854 52.037 0.026 0.000 0.708 137 A CB -0.623 18.420 19.000 0.071 0.000 0.805 137 A HN 0.443 nan 8.150 nan 0.000 0.460 138 T N -2.102 112.402 114.554 -0.083 0.000 2.976 138 T HA 0.055 4.405 4.350 -0.000 0.000 0.257 138 T C 1.333 175.737 174.700 -0.493 0.000 1.051 138 T CA 1.221 63.131 62.100 -0.317 0.000 1.141 138 T CB -0.234 68.372 68.868 -0.437 0.000 0.881 138 T HN 0.540 nan 8.240 nan 0.000 0.461 139 Y N 0.319 120.648 120.300 0.047 0.000 2.535 139 Y HA 0.407 4.957 4.550 -0.000 0.000 0.264 139 Y C 0.814 176.727 175.900 0.021 0.000 1.087 139 Y CA -1.115 57.018 58.100 0.055 0.000 1.285 139 Y CB -0.136 38.338 38.460 0.024 0.000 1.200 139 Y HN 0.003 nan 8.280 nan 0.000 0.514 140 N N 2.094 120.867 118.700 0.121 0.000 2.412 140 N HA 0.094 4.834 4.740 -0.000 0.000 0.254 140 N C -0.262 175.295 175.510 0.079 0.000 1.232 140 N CA 0.436 53.542 53.050 0.094 0.000 0.880 140 N CB 0.554 39.086 38.487 0.075 0.000 1.076 140 N HN 0.084 nan 8.380 nan 0.000 0.458 141 K N 1.365 121.852 120.400 0.145 0.000 2.378 141 K HA 0.587 4.907 4.320 -0.000 0.000 0.244 141 K C -2.592 174.157 176.600 0.248 0.000 1.039 141 K CA -1.966 54.388 56.287 0.111 0.000 0.863 141 K CB 0.981 33.429 32.500 -0.087 0.000 1.326 141 K HN 0.223 nan 8.250 nan 0.000 0.460 142 P HA 0.115 nan 4.420 nan 0.000 0.265 142 P C 0.070 177.522 177.300 0.254 0.000 1.222 142 P CA 0.814 64.047 63.100 0.222 0.000 0.767 142 P CB 0.487 32.305 31.700 0.197 0.000 0.801 143 G N 2.384 111.225 108.800 0.069 0.000 2.205 143 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.261 143 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.261 143 G C 0.032 174.693 174.900 -0.398 0.000 0.980 143 G CA -0.424 44.560 45.100 -0.193 0.000 0.632 143 G HN 0.445 nan 8.290 nan 0.000 0.533 144 F N 2.086 122.120 119.950 0.141 0.000 2.550 144 F HA 0.452 4.979 4.527 -0.000 0.000 0.348 144 F C 0.480 176.312 175.800 0.052 0.000 1.219 144 F CA -0.470 57.612 58.000 0.138 0.000 1.203 144 F CB 1.351 40.559 39.000 0.345 0.000 1.436 144 F HN -0.076 nan 8.300 nan 0.000 0.541 145 T N 3.407 118.049 114.554 0.147 0.000 3.414 145 T HA 0.210 4.560 4.350 -0.000 0.000 0.304 145 T C 1.586 176.366 174.700 0.132 0.000 1.241 145 T CA -0.077 62.093 62.100 0.116 0.000 1.076 145 T CB 0.032 68.956 68.868 0.092 0.000 1.134 145 T HN 0.457 nan 8.240 nan 0.000 0.759 146 L N 0.821 122.103 121.223 0.099 0.000 2.395 146 L HA 0.135 4.475 4.340 -0.000 0.000 0.218 146 L C 1.417 178.495 176.870 0.347 0.000 1.130 146 L CA 0.493 55.444 54.840 0.185 0.000 0.826 146 L CB 0.082 42.116 42.059 -0.041 0.000 0.941 146 L HN 0.409 nan 8.230 nan 0.000 0.451 147 S N 0.266 116.067 115.700 0.169 0.000 2.672 147 S HA 0.406 4.876 4.470 -0.000 0.000 0.291 147 S C -0.991 173.625 174.600 0.026 0.000 1.145 147 S CA -0.682 57.578 58.200 0.100 0.000 1.013 147 S CB 0.944 64.203 63.200 0.097 0.000 1.017 147 S HN 0.407 nan 8.310 nan 0.000 0.487 148 D N 2.354 122.733 120.400 -0.034 0.000 3.048 148 D HA 0.024 4.664 4.640 -0.000 0.000 0.290 148 D C -0.133 176.045 176.300 -0.203 0.000 1.667 148 D CA -0.473 53.462 54.000 -0.108 0.000 0.835 148 D CB -1.049 39.729 40.800 -0.037 0.000 1.438 148 D HN 0.532 nan 8.370 nan 0.000 0.463 149 N N 0.176 118.748 118.700 -0.214 0.000 2.424 149 N HA 0.096 4.836 4.740 -0.000 0.000 0.257 149 N C -0.748 174.518 175.510 -0.406 0.000 1.250 149 N CA 0.082 52.988 53.050 -0.239 0.000 0.946 149 N CB 0.983 39.341 38.487 -0.214 0.000 1.175 149 N HN -0.028 nan 8.380 nan 0.000 0.477 150 Y N -0.724 119.422 120.300 -0.256 0.000 2.376 150 Y HA 0.234 4.784 4.550 -0.000 0.000 0.325 150 Y C 0.533 176.110 175.900 -0.538 0.000 1.199 150 Y CA -0.241 57.592 58.100 -0.445 0.000 1.206 150 Y CB 1.719 39.783 38.460 -0.661 0.000 1.229 150 Y HN 0.393 nan 8.280 nan 0.000 0.480 151 T N 3.303 117.624 114.554 -0.389 0.000 2.758 151 T HA 0.407 4.757 4.350 -0.000 0.000 0.285 151 T C -1.304 173.203 174.700 -0.322 0.000 0.981 151 T CA -0.537 61.387 62.100 -0.293 0.000 0.965 151 T CB -0.060 68.699 68.868 -0.182 0.000 0.927 151 T HN 0.255 nan 8.240 nan 0.000 0.448 152 Y N 1.333 121.669 120.300 0.061 0.000 2.487 152 Y HA 0.702 5.252 4.550 -0.000 0.000 0.337 152 Y C -0.053 175.856 175.900 0.014 0.000 1.076 152 Y CA -1.160 56.999 58.100 0.098 0.000 1.115 152 Y CB 1.605 40.163 38.460 0.164 0.000 1.235 152 Y HN 0.290 nan 8.280 nan 0.000 0.468 153 V N 3.192 123.241 119.914 0.225 0.000 2.733 153 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 153 V C -1.052 175.202 176.094 0.267 0.000 1.084 153 V CA -1.066 61.267 62.300 0.056 0.000 0.905 153 V CB 1.769 33.652 31.823 0.100 0.000 1.010 153 V HN 0.439 nan 8.190 nan 0.000 0.424 154 F N 5.212 125.114 119.950 -0.079 0.000 2.379 154 F HA 0.886 5.413 4.527 -0.000 0.000 0.332 154 F C 0.169 175.986 175.800 0.029 0.000 1.096 154 F CA -1.193 56.844 58.000 0.061 0.000 1.105 154 F CB 1.682 40.760 39.000 0.129 0.000 1.189 154 F HN 0.549 nan 8.300 nan 0.000 0.515 155 L N 0.371 121.718 121.223 0.206 0.000 2.720 155 L HA 1.055 5.395 4.340 -0.000 0.000 0.261 155 L C -0.913 176.081 176.870 0.207 0.000 1.046 155 L CA -0.735 54.197 54.840 0.153 0.000 0.886 155 L CB 2.106 44.231 42.059 0.110 0.000 1.493 155 L HN 0.637 nan 8.230 nan 0.000 0.407 156 G N -0.741 108.187 108.800 0.213 0.000 2.949 156 G HA2 0.346 4.306 3.960 -0.000 0.000 0.285 156 G HA3 0.346 4.306 3.960 -0.000 0.000 0.285 156 G C -0.513 174.539 174.900 0.253 0.000 1.395 156 G CA 0.063 45.339 45.100 0.293 0.000 0.901 156 G HN 0.733 nan 8.290 nan 0.000 0.519 157 D N 0.068 120.640 120.400 0.287 0.000 2.149 157 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 157 D C 2.427 178.589 176.300 -0.229 0.000 1.001 157 D CA 1.835 55.859 54.000 0.041 0.000 0.849 157 D CB -0.309 40.493 40.800 0.003 0.000 0.939 157 D HN 0.480 nan 8.370 nan 0.000 0.449 158 G N 0.605 109.338 108.800 -0.111 0.000 2.442 158 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 158 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 158 G C 1.895 176.729 174.900 -0.110 0.000 1.141 158 G CA 0.862 45.885 45.100 -0.128 0.000 0.763 158 G HN 0.325 nan 8.290 nan 0.000 0.554 159 C N -0.027 119.240 119.300 -0.056 0.000 2.467 159 C HA 0.234 4.693 4.460 -0.000 0.000 0.279 159 C C 2.825 177.768 174.990 -0.078 0.000 1.347 159 C CA 0.138 59.129 59.018 -0.045 0.000 1.748 159 C CB -0.831 26.906 27.740 -0.006 0.000 1.977 159 C HN 0.426 nan 8.230 nan 0.000 0.501 160 L N 0.181 121.330 121.223 -0.124 0.000 2.217 160 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 160 L C 2.535 179.372 176.870 -0.056 0.000 1.107 160 L CA 1.266 56.061 54.840 -0.075 0.000 0.783 160 L CB -0.573 41.447 42.059 -0.066 0.000 0.919 160 L HN 0.470 nan 8.230 nan 0.000 0.442 161 Q N -0.590 119.083 119.800 -0.212 0.000 2.331 161 Q HA -0.003 4.337 4.340 -0.000 0.000 0.203 161 Q C 0.144 176.101 176.000 -0.072 0.000 0.944 161 Q CA 0.206 55.910 55.803 -0.166 0.000 0.892 161 Q CB 0.310 28.852 28.738 -0.327 0.000 0.983 161 Q HN 0.318 nan 8.270 nan 0.000 0.482 162 E N 0.808 120.965 120.200 -0.072 0.000 2.265 162 E HA 0.004 4.354 4.350 -0.000 0.000 0.272 162 E C 0.907 177.486 176.600 -0.035 0.000 1.067 162 E CA 0.089 56.461 56.400 -0.047 0.000 0.900 162 E CB 1.065 30.732 29.700 -0.055 0.000 1.017 162 E HN 0.337 nan 8.360 nan 0.000 0.431 163 G N 4.147 112.938 108.800 -0.013 0.000 2.517 163 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.222 163 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.222 163 G C 1.381 176.260 174.900 -0.034 0.000 1.109 163 G CA 0.282 45.380 45.100 -0.005 0.000 0.746 163 G HN 0.618 nan 8.290 nan 0.000 0.576 164 I N 1.400 121.918 120.570 -0.086 0.000 2.315 164 I HA -0.192 3.977 4.170 -0.000 0.000 0.248 164 I C 2.920 178.965 176.117 -0.119 0.000 1.117 164 I CA 1.785 62.989 61.300 -0.160 0.000 1.404 164 I CB -0.068 37.657 38.000 -0.458 0.000 1.071 164 I HN 0.332 nan 8.210 nan 0.000 0.419 165 S N -0.478 115.166 115.700 -0.094 0.000 2.428 165 S HA -0.086 4.384 4.470 -0.000 0.000 0.230 165 S C 1.925 176.465 174.600 -0.100 0.000 1.014 165 S CA 1.095 59.254 58.200 -0.068 0.000 0.957 165 S CB -0.334 62.842 63.200 -0.040 0.000 0.784 165 S HN 0.439 nan 8.310 nan 0.000 0.499 166 S N 2.186 117.827 115.700 -0.098 0.000 2.406 166 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 166 S C 1.799 176.258 174.600 -0.236 0.000 1.020 166 S CA 1.123 59.224 58.200 -0.165 0.000 0.965 166 S CB -0.305 62.873 63.200 -0.036 0.000 0.798 166 S HN 0.681 nan 8.310 nan 0.000 0.488 167 E N 1.689 121.810 120.200 -0.132 0.000 2.072 167 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 167 E C 2.386 178.912 176.600 -0.123 0.000 0.985 167 E CA 0.958 57.293 56.400 -0.109 0.000 0.801 167 E CB -0.277 29.401 29.700 -0.038 0.000 0.750 167 E HN 0.505 nan 8.360 nan 0.000 0.452 168 A N 1.227 123.988 122.820 -0.099 0.000 1.858 168 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 168 A C 2.372 179.939 177.584 -0.028 0.000 1.190 168 A CA 1.784 53.796 52.037 -0.041 0.000 0.617 168 A CB -0.639 18.351 19.000 -0.017 0.000 0.827 168 A HN 0.146 nan 8.150 nan 0.000 0.443 169 S N -0.279 115.342 115.700 -0.131 0.000 2.400 169 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 169 S C 2.261 176.650 174.600 -0.353 0.000 1.025 169 S CA 1.458 59.553 58.200 -0.174 0.000 0.993 169 S CB -0.387 62.394 63.200 -0.699 0.000 0.808 169 S HN 0.683 nan 8.310 nan 0.000 0.478 170 S N 1.223 116.536 115.700 -0.646 0.000 2.345 170 S HA -0.017 4.453 4.470 -0.000 0.000 0.220 170 S C 1.827 176.397 174.600 -0.050 0.000 1.031 170 S CA 0.890 58.825 58.200 -0.442 0.000 0.996 170 S CB -0.462 62.523 63.200 -0.358 0.000 0.882 170 S HN 0.352 nan 8.310 nan 0.000 0.445 171 L N 1.833 123.042 121.223 -0.023 0.000 2.127 171 L HA 0.096 4.436 4.340 -0.000 0.000 0.211 171 L C 2.352 179.289 176.870 0.112 0.000 1.089 171 L CA 1.958 56.837 54.840 0.065 0.000 0.757 171 L CB -1.184 40.899 42.059 0.040 0.000 0.899 171 L HN 0.363 nan 8.230 nan 0.000 0.434 172 A N -0.722 122.174 122.820 0.127 0.000 1.872 172 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 172 A C 2.372 179.993 177.584 0.063 0.000 1.187 172 A CA 1.304 53.405 52.037 0.106 0.000 0.614 172 A CB -1.533 17.595 19.000 0.212 0.000 0.826 172 A HN 0.476 nan 8.150 nan 0.000 0.442 173 G N -0.848 108.096 108.800 0.240 0.000 2.476 173 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 173 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 173 G C 1.514 176.492 174.900 0.131 0.000 1.164 173 G CA 1.673 46.905 45.100 0.220 0.000 0.768 173 G HN 0.784 nan 8.290 nan 0.000 0.560 174 H N 0.578 119.686 119.070 0.063 0.000 2.352 174 H HA 0.076 4.632 4.556 -0.000 0.000 0.299 174 H C 2.293 177.614 175.328 -0.013 0.000 1.097 174 H CA 1.428 57.486 56.048 0.017 0.000 1.311 174 H CB -0.329 29.433 29.762 -0.001 0.000 1.377 174 H HN 0.291 nan 8.280 nan 0.000 0.504 175 L N 0.156 121.255 121.223 -0.207 0.000 2.552 175 L HA 0.025 4.365 4.340 -0.000 0.000 0.227 175 L C 0.542 177.336 176.870 -0.126 0.000 1.146 175 L CA 0.523 55.221 54.840 -0.237 0.000 0.858 175 L CB -0.134 41.919 42.059 -0.009 0.000 0.969 175 L HN 0.256 nan 8.230 nan 0.000 0.451 176 K N 0.881 121.207 120.400 -0.123 0.000 3.244 176 K HA -0.172 4.148 4.320 -0.000 0.000 0.270 176 K C -0.452 176.101 176.600 -0.079 0.000 1.016 176 K CA 0.251 56.477 56.287 -0.102 0.000 0.754 176 K CB -1.760 30.680 32.500 -0.100 0.000 1.326 176 K HN 0.277 nan 8.250 nan 0.000 0.465 177 L N 0.629 121.758 121.223 -0.155 0.000 2.375 177 L HA 0.090 4.429 4.340 -0.000 0.000 0.276 177 L C 1.914 178.638 176.870 -0.245 0.000 1.162 177 L CA 0.040 54.757 54.840 -0.206 0.000 0.991 177 L CB 0.455 42.386 42.059 -0.214 0.000 1.315 177 L HN 0.469 nan 8.230 nan 0.000 0.431 178 G N 1.836 110.526 108.800 -0.182 0.000 2.422 178 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 178 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 178 G C 1.130 175.972 174.900 -0.097 0.000 1.146 178 G CA 0.350 45.371 45.100 -0.131 0.000 0.769 178 G HN 0.549 nan 8.290 nan 0.000 0.547 179 N N -0.380 118.212 118.700 -0.180 0.000 2.501 179 N HA 0.131 4.871 4.740 -0.000 0.000 0.195 179 N C -0.169 175.254 175.510 -0.145 0.000 1.213 179 N CA -0.062 52.853 53.050 -0.224 0.000 0.864 179 N CB 0.174 38.324 38.487 -0.562 0.000 0.999 179 N HN 0.310 nan 8.380 nan 0.000 0.454 180 L N 0.808 121.938 121.223 -0.155 0.000 2.287 180 L HA 0.550 4.890 4.340 -0.000 0.000 0.287 180 L C -1.057 175.771 176.870 -0.071 0.000 1.022 180 L CA -0.336 54.413 54.840 -0.152 0.000 0.814 180 L CB 0.656 42.586 42.059 -0.215 0.000 1.217 180 L HN -0.060 nan 8.230 nan 0.000 0.420 181 I N 5.370 125.969 120.570 0.049 0.000 2.478 181 I HA 0.611 4.781 4.170 -0.000 0.000 0.287 181 I C -0.371 175.915 176.117 0.281 0.000 1.042 181 I CA -0.721 60.690 61.300 0.185 0.000 1.067 181 I CB 1.965 40.147 38.000 0.302 0.000 1.233 181 I HN 0.789 nan 8.210 nan 0.000 0.431 182 A N 7.809 130.806 122.820 0.295 0.000 2.288 182 A HA 0.806 5.126 4.320 -0.000 0.000 0.320 182 A C -0.645 177.099 177.584 0.266 0.000 1.217 182 A CA -0.375 51.846 52.037 0.307 0.000 0.840 182 A CB 0.513 19.729 19.000 0.359 0.000 1.179 182 A HN 0.677 nan 8.150 nan 0.000 0.504 183 I N 2.655 123.401 120.570 0.293 0.000 2.354 183 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 183 I C -0.797 175.411 176.117 0.153 0.000 0.989 183 I CA -0.554 60.866 61.300 0.200 0.000 1.188 183 I CB 1.416 39.552 38.000 0.227 0.000 1.342 183 I HN 0.720 nan 8.210 nan 0.000 0.457 184 Y N 5.935 126.199 120.300 -0.061 0.000 2.352 184 Y HA 0.381 4.931 4.550 -0.000 0.000 0.339 184 Y C -0.457 175.376 175.900 -0.113 0.000 0.992 184 Y CA -1.588 56.459 58.100 -0.088 0.000 1.100 184 Y CB 1.255 39.650 38.460 -0.109 0.000 1.192 184 Y HN 0.511 nan 8.280 nan 0.000 0.458 185 D N 4.432 124.635 120.400 -0.328 0.000 2.435 185 D HA 0.055 4.695 4.640 -0.000 0.000 0.230 185 D C -0.981 174.923 176.300 -0.659 0.000 1.215 185 D CA 0.138 53.888 54.000 -0.416 0.000 0.947 185 D CB -0.070 40.601 40.800 -0.215 0.000 1.048 185 D HN 0.581 nan 8.370 nan 0.000 0.512 186 D N 2.704 122.642 120.400 -0.770 0.000 2.563 186 D HA 0.007 4.647 4.640 -0.000 0.000 0.222 186 D C 0.657 176.811 176.300 -0.243 0.000 1.145 186 D CA -0.420 53.186 54.000 -0.656 0.000 1.001 186 D CB -0.132 40.302 40.800 -0.609 0.000 1.049 186 D HN 0.306 nan 8.370 nan 0.000 0.515 187 N N 2.113 120.730 118.700 -0.139 0.000 2.353 187 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 187 N C 0.271 175.791 175.510 0.017 0.000 1.098 187 N CA -0.091 52.934 53.050 -0.040 0.000 0.872 187 N CB 0.067 38.553 38.487 -0.002 0.000 0.970 187 N HN 0.109 nan 8.380 nan 0.000 0.467 188 K N -0.646 119.780 120.400 0.043 0.000 3.209 188 K HA -0.090 4.229 4.320 -0.000 0.000 0.289 188 K C -1.046 175.594 176.600 0.066 0.000 1.191 188 K CA 0.692 57.022 56.287 0.072 0.000 0.851 188 K CB -1.222 31.307 32.500 0.048 0.000 1.242 188 K HN 0.370 nan 8.250 nan 0.000 0.480 189 I N -0.167 120.446 120.570 0.071 0.000 2.752 189 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 189 I C 0.610 176.756 176.117 0.047 0.000 1.219 189 I CA -0.373 60.962 61.300 0.057 0.000 1.030 189 I CB 2.262 40.316 38.000 0.090 0.000 1.259 189 I HN 0.245 nan 8.210 nan 0.000 0.423 190 T N 1.502 116.049 114.554 -0.011 0.000 2.626 190 T HA 0.614 4.964 4.350 -0.000 0.000 0.279 190 T C 1.304 175.904 174.700 -0.167 0.000 0.983 190 T CA -0.648 61.389 62.100 -0.106 0.000 1.059 190 T CB 1.287 70.086 68.868 -0.115 0.000 1.396 190 T HN 0.325 nan 8.240 nan 0.000 0.519 191 I N 0.806 121.206 120.570 -0.284 0.000 2.142 191 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 191 I C 1.960 178.080 176.117 0.004 0.000 1.078 191 I CA 1.697 62.882 61.300 -0.192 0.000 1.343 191 I CB -0.440 37.434 38.000 -0.210 0.000 1.046 191 I HN 0.624 nan 8.210 nan 0.000 0.405 192 D N 0.509 120.894 120.400 -0.025 0.000 2.309 192 D HA 0.042 4.682 4.640 -0.000 0.000 0.212 192 D C 0.926 177.192 176.300 -0.056 0.000 0.968 192 D CA 1.211 55.214 54.000 0.004 0.000 0.882 192 D CB 0.050 40.836 40.800 -0.023 0.000 0.918 192 D HN 0.577 nan 8.370 nan 0.000 0.503 193 G N -0.872 107.839 108.800 -0.149 0.000 2.288 193 G HA2 0.286 4.246 3.960 -0.000 0.000 0.227 193 G HA3 0.286 4.246 3.960 -0.000 0.000 0.227 193 G C -1.008 173.778 174.900 -0.191 0.000 1.339 193 G CA -0.247 44.613 45.100 -0.399 0.000 1.057 193 G HN 0.307 nan 8.290 nan 0.000 0.470 194 A N -0.209 122.520 122.820 -0.152 0.000 2.425 194 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 194 A C 1.888 179.473 177.584 0.002 0.000 1.077 194 A CA 1.492 53.498 52.037 -0.053 0.000 0.781 194 A CB 0.064 19.040 19.000 -0.040 0.000 1.020 194 A HN 2.099 nan 8.150 nan 0.000 0.494 195 T N -0.349 114.239 114.554 0.057 0.000 2.788 195 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 195 T C 1.837 176.613 174.700 0.128 0.000 1.044 195 T CA 1.782 63.965 62.100 0.138 0.000 1.139 195 T CB -0.878 68.132 68.868 0.236 0.000 0.867 195 T HN 1.146 nan 8.240 nan 0.000 0.454 196 S N 1.590 117.332 115.700 0.071 0.000 2.440 196 S HA -0.057 4.413 4.470 -0.000 0.000 0.238 196 S C 1.857 176.480 174.600 0.038 0.000 1.010 196 S CA 0.634 58.861 58.200 0.046 0.000 0.972 196 S CB -0.901 62.312 63.200 0.022 0.000 0.774 196 S HN 0.340 nan 8.310 nan 0.000 0.501 197 I N 2.253 122.839 120.570 0.027 0.000 2.700 197 I HA -0.068 4.102 4.170 -0.000 0.000 0.261 197 I C 1.726 177.862 176.117 0.033 0.000 1.219 197 I CA 1.183 62.493 61.300 0.016 0.000 1.463 197 I CB -0.120 37.876 38.000 -0.008 0.000 1.092 197 I HN 0.661 nan 8.210 nan 0.000 0.452 198 S N -2.266 113.475 115.700 0.067 0.000 2.933 198 S HA 0.173 4.643 4.470 -0.000 0.000 0.236 198 S C -0.195 174.515 174.600 0.183 0.000 0.836 198 S CA -0.636 57.617 58.200 0.088 0.000 1.298 198 S CB -0.848 62.388 63.200 0.060 0.000 1.243 198 S HN 0.057 nan 8.310 nan 0.000 0.607 199 F N 3.147 123.098 119.950 0.001 0.000 3.164 199 F HA 0.544 5.071 4.527 -0.000 0.000 0.375 199 F C -1.552 174.257 175.800 0.015 0.000 1.257 199 F CA -0.900 57.104 58.000 0.008 0.000 1.171 199 F CB 1.380 40.388 39.000 0.014 0.000 1.588 199 F HN 0.180 nan 8.300 nan 0.000 0.604 200 D N 1.980 122.274 120.400 -0.177 0.000 2.651 200 D HA 0.095 4.735 4.640 -0.000 0.000 0.280 200 D C -0.054 176.106 176.300 -0.233 0.000 1.496 200 D CA -0.227 53.651 54.000 -0.203 0.000 0.792 200 D CB -0.389 40.369 40.800 -0.070 0.000 1.144 200 D HN 0.604 nan 8.370 nan 0.000 0.470 201 E N 0.084 120.073 120.200 -0.351 0.000 2.428 201 E HA 0.085 4.435 4.350 -0.000 0.000 0.257 201 E C -0.373 176.067 176.600 -0.266 0.000 1.197 201 E CA -0.424 55.812 56.400 -0.273 0.000 0.974 201 E CB 0.526 30.064 29.700 -0.270 0.000 0.976 201 E HN -0.121 nan 8.360 nan 0.000 0.463 202 D N 1.722 122.027 120.400 -0.159 0.000 2.479 202 D HA 0.080 4.720 4.640 -0.000 0.000 0.218 202 D C 0.615 176.862 176.300 -0.088 0.000 1.131 202 D CA -0.464 53.477 54.000 -0.098 0.000 0.916 202 D CB 0.950 41.718 40.800 -0.054 0.000 1.022 202 D HN 0.373 nan 8.370 nan 0.000 0.515 203 V N 3.852 123.710 119.914 -0.093 0.000 2.231 203 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 203 V C 2.564 178.698 176.094 0.068 0.000 1.054 203 V CA 2.296 64.586 62.300 -0.017 0.000 1.015 203 V CB -0.858 30.939 31.823 -0.043 0.000 0.638 203 V HN 0.652 nan 8.190 nan 0.000 0.444 204 A N -0.287 122.550 122.820 0.029 0.000 1.903 204 A HA -0.352 3.968 4.320 -0.000 0.000 0.219 204 A C 2.375 179.996 177.584 0.061 0.000 1.191 204 A CA 2.646 54.708 52.037 0.042 0.000 0.638 204 A CB -0.605 18.436 19.000 0.068 0.000 0.823 204 A HN 0.559 nan 8.150 nan 0.000 0.451 205 K N -0.768 119.643 120.400 0.019 0.000 2.155 205 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 205 K C 2.304 178.831 176.600 -0.122 0.000 1.052 205 K CA 1.155 57.430 56.287 -0.020 0.000 0.948 205 K CB -0.162 32.325 32.500 -0.022 0.000 0.728 205 K HN 0.458 nan 8.250 nan 0.000 0.448 206 R N -0.633 119.759 120.500 -0.180 0.000 2.092 206 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 206 R C 1.800 177.627 176.300 -0.789 0.000 1.119 206 R CA 1.451 57.301 56.100 -0.416 0.000 0.970 206 R CB -0.214 29.889 30.300 -0.329 0.000 0.864 206 R HN 0.239 nan 8.270 nan 0.000 0.440 207 Y N 0.761 120.812 120.300 -0.415 0.000 2.220 207 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 207 Y C 2.145 177.970 175.900 -0.126 0.000 1.129 207 Y CA 1.623 59.516 58.100 -0.346 0.000 1.161 207 Y CB 0.118 38.446 38.460 -0.220 0.000 0.997 207 Y HN 0.165 nan 8.280 nan 0.000 0.522 208 E N -0.425 119.791 120.200 0.027 0.000 2.110 208 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 208 E C 2.361 178.960 176.600 -0.003 0.000 0.988 208 E CA 0.845 57.290 56.400 0.075 0.000 0.804 208 E CB -0.258 29.480 29.700 0.065 0.000 0.745 208 E HN 0.462 nan 8.360 nan 0.000 0.458 209 A N 0.674 123.404 122.820 -0.151 0.000 1.948 209 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 209 A C 1.618 179.145 177.584 -0.095 0.000 1.177 209 A CA 1.467 53.399 52.037 -0.176 0.000 0.636 209 A CB -0.725 18.084 19.000 -0.317 0.000 0.815 209 A HN 0.296 nan 8.150 nan 0.000 0.449 210 Y N -1.252 119.030 120.300 -0.029 0.000 2.516 210 Y HA 0.323 4.873 4.550 -0.000 0.000 0.291 210 Y C 1.925 177.948 175.900 0.206 0.000 1.131 210 Y CA 0.018 58.146 58.100 0.047 0.000 1.281 210 Y CB -0.522 37.919 38.460 -0.031 0.000 1.013 210 Y HN 0.485 nan 8.280 nan 0.000 0.554 211 G N -2.176 106.827 108.800 0.339 0.000 2.135 211 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.183 211 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.183 211 G C -0.504 174.582 174.900 0.309 0.000 1.004 211 G CA -0.613 44.646 45.100 0.266 0.000 0.677 211 G HN 0.162 nan 8.290 nan 0.000 0.512 212 W N 0.809 122.201 121.300 0.153 0.000 2.449 212 W HA 0.648 5.308 4.660 -0.000 0.000 0.331 212 W C 0.527 177.132 176.519 0.143 0.000 1.119 212 W CA -0.892 56.563 57.345 0.183 0.000 1.240 212 W CB 0.951 30.616 29.460 0.342 0.000 1.251 212 W HN 0.264 nan 8.180 nan 0.000 0.576 213 E N 1.410 121.793 120.200 0.305 0.000 2.249 213 E HA 0.460 4.810 4.350 -0.000 0.000 0.280 213 E C -1.432 175.315 176.600 0.244 0.000 1.016 213 E CA -0.346 56.184 56.400 0.217 0.000 0.830 213 E CB 1.135 30.916 29.700 0.135 0.000 1.081 213 E HN 0.234 nan 8.360 nan 0.000 0.395 214 V N 6.334 126.359 119.914 0.184 0.000 2.407 214 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 214 V C -0.004 176.122 176.094 0.054 0.000 1.018 214 V CA -0.611 61.741 62.300 0.087 0.000 0.842 214 V CB 1.019 32.853 31.823 0.018 0.000 0.996 214 V HN 0.664 nan 8.190 nan 0.000 0.426 215 L N 4.320 125.559 121.223 0.026 0.000 2.365 215 L HA 0.675 5.015 4.340 -0.000 0.000 0.267 215 L C -1.211 175.667 176.870 0.014 0.000 1.033 215 L CA -0.884 54.023 54.840 0.111 0.000 0.802 215 L CB 1.503 43.627 42.059 0.109 0.000 1.267 215 L HN 0.458 nan 8.230 nan 0.000 0.457 216 Y N -0.238 120.089 120.300 0.045 0.000 2.373 216 Y HA 0.455 5.005 4.550 -0.000 0.000 0.336 216 Y C -0.461 175.448 175.900 0.014 0.000 0.979 216 Y CA -0.795 57.323 58.100 0.030 0.000 1.080 216 Y CB 2.100 40.575 38.460 0.026 0.000 1.190 216 Y HN 0.017 nan 8.280 nan 0.000 0.446 217 V N 4.806 124.786 119.914 0.111 0.000 2.284 217 V HA 0.128 4.248 4.120 -0.000 0.000 0.274 217 V C 0.796 176.917 176.094 0.045 0.000 1.023 217 V CA -0.661 61.675 62.300 0.059 0.000 0.808 217 V CB 1.022 32.852 31.823 0.012 0.000 1.035 217 V HN 0.917 nan 8.190 nan 0.000 0.445 218 E N 2.958 123.192 120.200 0.056 0.000 2.204 218 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 218 E C 0.604 177.207 176.600 0.005 0.000 0.990 218 E CA 0.762 57.184 56.400 0.038 0.000 0.821 218 E CB 0.202 29.921 29.700 0.033 0.000 0.750 218 E HN 0.521 nan 8.360 nan 0.000 0.477 219 N N 0.491 119.184 118.700 -0.010 0.000 2.851 219 N HA 0.153 4.893 4.740 -0.000 0.000 0.248 219 N C 0.369 175.836 175.510 -0.073 0.000 1.221 219 N CA 0.021 53.050 53.050 -0.035 0.000 0.847 219 N CB 1.060 39.531 38.487 -0.025 0.000 1.150 219 N HN 0.128 nan 8.380 nan 0.000 0.507 220 G N 1.551 110.294 108.800 -0.095 0.000 2.484 220 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 220 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 220 G C 1.348 176.130 174.900 -0.196 0.000 1.130 220 G CA 0.138 45.158 45.100 -0.134 0.000 0.784 220 G HN 0.404 nan 8.290 nan 0.000 0.543 221 N N 1.091 119.659 118.700 -0.221 0.000 2.244 221 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 221 N C 1.833 177.081 175.510 -0.436 0.000 1.016 221 N CA 1.519 54.319 53.050 -0.418 0.000 0.866 221 N CB 0.019 38.267 38.487 -0.399 0.000 0.980 221 N HN 0.770 nan 8.380 nan 0.000 0.430 222 E N -1.796 118.258 120.200 -0.243 0.000 2.744 222 E HA 0.077 4.427 4.350 -0.000 0.000 0.210 222 E C -0.913 175.614 176.600 -0.122 0.000 0.950 222 E CA -0.207 56.083 56.400 -0.183 0.000 1.282 222 E CB -0.177 29.455 29.700 -0.114 0.000 1.123 222 E HN -0.115 nan 8.360 nan 0.000 0.544 223 D N 1.922 122.259 120.400 -0.104 0.000 2.524 223 D HA 0.214 4.854 4.640 -0.000 0.000 0.222 223 D C 1.032 177.280 176.300 -0.086 0.000 1.142 223 D CA -0.223 53.738 54.000 -0.065 0.000 0.973 223 D CB 0.414 41.193 40.800 -0.034 0.000 1.025 223 D HN 0.154 nan 8.370 nan 0.000 0.519 224 L N 1.812 122.954 121.223 -0.135 0.000 2.012 224 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 224 L C 2.454 179.265 176.870 -0.097 0.000 1.073 224 L CA 1.404 56.069 54.840 -0.291 0.000 0.748 224 L CB -0.566 41.160 42.059 -0.555 0.000 0.891 224 L HN 0.367 nan 8.230 nan 0.000 0.431 225 A N 0.515 123.394 122.820 0.099 0.000 1.892 225 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 225 A C 2.414 180.059 177.584 0.102 0.000 1.188 225 A CA 2.077 54.223 52.037 0.181 0.000 0.631 225 A CB -1.379 17.705 19.000 0.139 0.000 0.822 225 A HN 0.476 nan 8.150 nan 0.000 0.447 226 G N -0.234 108.596 108.800 0.049 0.000 2.402 226 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 226 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 226 G C 1.528 176.449 174.900 0.035 0.000 1.162 226 G CA 1.090 46.213 45.100 0.039 0.000 0.777 226 G HN 0.493 nan 8.290 nan 0.000 0.539 227 I N 1.434 122.009 120.570 0.008 0.000 2.252 227 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 227 I C 3.283 179.420 176.117 0.033 0.000 1.102 227 I CA 0.952 62.254 61.300 0.003 0.000 1.385 227 I CB -0.224 37.748 38.000 -0.045 0.000 1.064 227 I HN 0.226 nan 8.210 nan 0.000 0.414 228 A N 0.561 123.423 122.820 0.070 0.000 1.908 228 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 228 A C 2.369 180.001 177.584 0.079 0.000 1.181 228 A CA 1.494 53.600 52.037 0.116 0.000 0.627 228 A CB -0.424 18.733 19.000 0.262 0.000 0.818 228 A HN 0.211 nan 8.150 nan 0.000 0.445 229 K N -0.298 120.148 120.400 0.077 0.000 2.032 229 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 229 K C 2.334 178.966 176.600 0.053 0.000 1.048 229 K CA 1.439 57.762 56.287 0.059 0.000 0.927 229 K CB -0.581 31.954 32.500 0.058 0.000 0.712 229 K HN 0.455 nan 8.250 nan 0.000 0.441 230 A N 1.173 124.026 122.820 0.055 0.000 1.858 230 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 230 A C 2.249 179.866 177.584 0.056 0.000 1.190 230 A CA 1.571 53.644 52.037 0.060 0.000 0.617 230 A CB -0.610 18.426 19.000 0.059 0.000 0.827 230 A HN 0.237 nan 8.150 nan 0.000 0.443 231 I N 0.078 120.673 120.570 0.043 0.000 2.286 231 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 231 I C 2.865 178.987 176.117 0.009 0.000 1.115 231 I CA 1.146 62.463 61.300 0.027 0.000 1.392 231 I CB -0.278 37.708 38.000 -0.024 0.000 1.065 231 I HN 0.329 nan 8.210 nan 0.000 0.418 232 A N 0.021 122.849 122.820 0.014 0.000 1.902 232 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 232 A C 2.283 179.876 177.584 0.015 0.000 1.181 232 A CA 1.957 53.997 52.037 0.005 0.000 0.623 232 A CB -0.627 18.384 19.000 0.018 0.000 0.818 232 A HN 0.423 nan 8.150 nan 0.000 0.443 233 Q N 0.060 119.880 119.800 0.034 0.000 2.084 233 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 233 Q C 2.024 178.054 176.000 0.050 0.000 0.978 233 Q CA 2.251 58.081 55.803 0.045 0.000 0.844 233 Q CB -0.717 28.054 28.738 0.055 0.000 0.898 233 Q HN 0.530 nan 8.270 nan 0.000 0.426 234 A N 0.652 123.505 122.820 0.055 0.000 1.948 234 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 234 A C 1.915 179.535 177.584 0.059 0.000 1.177 234 A CA 1.969 54.046 52.037 0.066 0.000 0.636 234 A CB -0.513 18.537 19.000 0.084 0.000 0.815 234 A HN 0.457 nan 8.150 nan 0.000 0.449 235 K N -0.508 119.902 120.400 0.017 0.000 2.432 235 K HA 0.185 4.505 4.320 -0.000 0.000 0.196 235 K C 1.477 178.133 176.600 0.093 0.000 1.038 235 K CA 0.479 56.776 56.287 0.017 0.000 0.986 235 K CB -0.153 32.245 32.500 -0.170 0.000 0.782 235 K HN 0.481 nan 8.250 nan 0.000 0.485 236 L N 0.893 122.154 121.223 0.063 0.000 2.131 236 L HA -0.045 4.295 4.340 -0.000 0.000 0.206 236 L C 1.121 178.026 176.870 0.058 0.000 1.087 236 L CA 0.368 55.244 54.840 0.061 0.000 0.767 236 L CB -0.264 41.823 42.059 0.046 0.000 0.917 236 L HN 0.060 nan 8.230 nan 0.000 0.441 237 S N 0.533 116.265 115.700 0.055 0.000 3.829 237 S HA 0.044 4.514 4.470 -0.000 0.000 0.250 237 S C 0.841 175.457 174.600 0.027 0.000 1.263 237 S CA -0.414 57.809 58.200 0.038 0.000 0.955 237 S CB -0.228 62.995 63.200 0.038 0.000 1.611 237 S HN 0.263 nan 8.310 nan 0.000 0.483 238 K N 1.402 121.815 120.400 0.023 0.000 2.519 238 K HA -0.103 4.217 4.320 -0.000 0.000 0.196 238 K C 0.675 177.261 176.600 -0.023 0.000 1.041 238 K CA 1.248 57.537 56.287 0.002 0.000 0.954 238 K CB -0.156 32.345 32.500 0.002 0.000 0.774 238 K HN 0.778 nan 8.250 nan 0.000 0.480 239 D N -0.305 120.080 120.400 -0.024 0.000 2.503 239 D HA 0.058 4.697 4.640 -0.000 0.000 0.218 239 D C -0.209 176.056 176.300 -0.058 0.000 1.183 239 D CA -0.183 53.794 54.000 -0.038 0.000 0.827 239 D CB 0.314 41.096 40.800 -0.030 0.000 1.034 239 D HN -0.129 nan 8.370 nan 0.000 0.510 240 K N 1.557 121.916 120.400 -0.068 0.000 2.397 240 K HA 0.398 4.718 4.320 -0.000 0.000 0.253 240 K C -2.785 173.692 176.600 -0.205 0.000 0.932 240 K CA -2.006 54.223 56.287 -0.097 0.000 0.795 240 K CB 2.853 35.344 32.500 -0.015 0.000 1.159 240 K HN -0.075 nan 8.250 nan 0.000 0.424 241 P HA 0.008 nan 4.420 nan 0.000 0.270 241 P C -0.665 176.371 177.300 -0.441 0.000 1.223 241 P CA -0.122 62.564 63.100 -0.691 0.000 0.785 241 P CB 0.631 31.487 31.700 -1.406 0.000 0.923 242 T N 1.832 116.271 114.554 -0.193 0.000 2.885 242 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 242 T C -0.492 174.413 174.700 0.342 0.000 1.019 242 T CA -0.396 61.777 62.100 0.122 0.000 1.010 242 T CB 1.082 70.008 68.868 0.097 0.000 1.022 242 T HN 0.256 nan 8.240 nan 0.000 0.466 243 L N 3.201 124.655 121.223 0.385 0.000 2.356 243 L HA 0.680 5.019 4.340 -0.000 0.000 0.277 243 L C -1.427 175.493 176.870 0.083 0.000 0.996 243 L CA -0.571 54.409 54.840 0.234 0.000 0.822 243 L CB 0.963 43.000 42.059 -0.037 0.000 1.256 243 L HN 0.654 nan 8.230 nan 0.000 0.413 244 I N 5.169 125.782 120.570 0.072 0.000 2.328 244 I HA 0.326 4.495 4.170 -0.000 0.000 0.287 244 I C -0.108 176.003 176.117 -0.009 0.000 1.012 244 I CA -0.593 60.722 61.300 0.025 0.000 1.195 244 I CB 1.253 39.294 38.000 0.067 0.000 1.350 244 I HN 0.579 nan 8.210 nan 0.000 0.464 245 K N 8.581 128.918 120.400 -0.106 0.000 2.262 245 K HA 0.332 4.652 4.320 -0.000 0.000 0.288 245 K C -0.652 175.881 176.600 -0.112 0.000 1.090 245 K CA -0.303 55.931 56.287 -0.089 0.000 0.918 245 K CB 0.575 32.939 32.500 -0.228 0.000 1.139 245 K HN 0.616 nan 8.250 nan 0.000 0.462 246 M N 4.336 123.840 119.600 -0.160 0.000 2.149 246 M HA 0.201 4.681 4.480 -0.000 0.000 0.342 246 M C -1.053 175.138 176.300 -0.182 0.000 1.068 246 M CA -0.251 54.967 55.300 -0.135 0.000 0.991 246 M CB 1.497 34.014 32.600 -0.139 0.000 1.596 246 M HN 0.384 nan 8.290 nan 0.000 0.439 247 T N 3.724 118.209 114.554 -0.114 0.000 2.806 247 T HA 0.498 4.848 4.350 -0.000 0.000 0.290 247 T C 0.094 174.733 174.700 -0.102 0.000 0.966 247 T CA -0.392 61.641 62.100 -0.111 0.000 1.060 247 T CB 0.882 69.723 68.868 -0.045 0.000 0.927 247 T HN 0.792 nan 8.240 nan 0.000 0.485 248 T N -0.249 114.242 114.554 -0.105 0.000 2.887 248 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 248 T C -0.475 174.218 174.700 -0.011 0.000 1.087 248 T CA -0.849 61.205 62.100 -0.077 0.000 1.009 248 T CB 1.644 70.443 68.868 -0.116 0.000 1.203 248 T HN 0.315 nan 8.240 nan 0.000 0.518 249 T N 2.100 116.687 114.554 0.054 0.000 2.749 249 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 249 T C 0.300 175.060 174.700 0.101 0.000 0.970 249 T CA -0.549 61.612 62.100 0.102 0.000 0.980 249 T CB 0.367 69.347 68.868 0.186 0.000 0.924 249 T HN 0.715 nan 8.240 nan 0.000 0.456 250 I N 2.961 123.581 120.570 0.083 0.000 2.683 250 I HA 0.298 4.467 4.170 -0.000 0.000 0.286 250 I C 1.149 177.329 176.117 0.106 0.000 1.175 250 I CA 1.158 62.513 61.300 0.092 0.000 1.429 250 I CB 0.007 38.076 38.000 0.116 0.000 1.371 250 I HN 0.973 nan 8.210 nan 0.000 0.569 251 G N 5.010 113.870 108.800 0.101 0.000 2.198 251 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 251 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 251 G C 0.056 175.022 174.900 0.111 0.000 1.042 251 G CA 0.171 45.327 45.100 0.094 0.000 0.791 251 G HN 0.855 nan 8.290 nan 0.000 0.502 252 Y N 0.259 120.573 120.300 0.022 0.000 2.881 252 Y HA 0.255 4.805 4.550 -0.000 0.000 0.335 252 Y C 1.664 177.621 175.900 0.095 0.000 1.263 252 Y CA 1.859 59.982 58.100 0.040 0.000 1.572 252 Y CB 0.328 38.796 38.460 0.013 0.000 1.237 252 Y HN 1.417 nan 8.280 nan 0.000 0.568 253 G N 3.011 111.582 108.800 -0.381 0.000 2.213 253 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.236 253 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.236 253 G C 0.266 175.073 174.900 -0.156 0.000 0.991 253 G CA 0.191 45.175 45.100 -0.193 0.000 0.629 253 G HN 0.929 nan 8.290 nan 0.000 0.517 254 S N -0.269 115.368 115.700 -0.105 0.000 2.610 254 S HA 0.602 5.072 4.470 -0.000 0.000 0.273 254 S C 1.876 176.372 174.600 -0.174 0.000 1.274 254 S CA -0.151 57.982 58.200 -0.111 0.000 1.023 254 S CB 0.866 64.041 63.200 -0.041 0.000 0.962 254 S HN 0.426 nan 8.310 nan 0.000 0.523 255 L N 2.777 123.843 121.223 -0.261 0.000 2.261 255 L HA -0.061 4.279 4.340 -0.000 0.000 0.216 255 L C 0.606 177.221 176.870 -0.425 0.000 1.114 255 L CA 1.260 55.872 54.840 -0.380 0.000 0.777 255 L CB -0.439 41.302 42.059 -0.529 0.000 0.910 255 L HN 0.766 nan 8.230 nan 0.000 0.440 256 H N -1.084 117.972 119.070 -0.023 0.000 2.534 256 H HA 0.434 4.990 4.556 -0.000 0.000 0.250 256 H C 0.284 175.620 175.328 0.013 0.000 1.256 256 H CA -0.511 55.536 56.048 -0.002 0.000 1.000 256 H CB 0.367 30.129 29.762 0.001 0.000 1.801 256 H HN 0.155 nan 8.280 nan 0.000 0.569 257 A N 0.530 123.381 122.820 0.051 0.000 2.409 257 A HA 0.497 4.816 4.320 -0.000 0.000 0.262 257 A C 1.469 179.097 177.584 0.073 0.000 1.113 257 A CA 0.507 52.573 52.037 0.049 0.000 0.790 257 A CB -0.195 18.799 19.000 -0.010 0.000 1.046 257 A HN 0.757 nan 8.150 nan 0.000 0.496 258 G N 0.785 109.641 108.800 0.093 0.000 2.176 258 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.232 258 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.232 258 G C 0.497 175.466 174.900 0.114 0.000 0.986 258 G CA 0.475 45.630 45.100 0.092 0.000 0.643 258 G HN 1.558 nan 8.290 nan 0.000 0.522 259 S N -0.156 115.632 115.700 0.148 0.000 2.651 259 S HA 0.556 5.026 4.470 -0.000 0.000 0.291 259 S C 1.728 176.486 174.600 0.264 0.000 1.141 259 S CA 0.404 58.735 58.200 0.218 0.000 1.027 259 S CB 0.608 63.929 63.200 0.202 0.000 1.043 259 S HN 0.644 nan 8.310 nan 0.000 0.530 260 H N 2.065 121.174 119.070 0.066 0.000 2.518 260 H HA 0.035 4.591 4.556 -0.000 0.000 0.289 260 H C 1.639 177.028 175.328 0.100 0.000 1.051 260 H CA 1.393 57.490 56.048 0.081 0.000 1.280 260 H CB -1.328 28.453 29.762 0.033 0.000 1.380 260 H HN 0.439 nan 8.280 nan 0.000 0.566 261 S N 1.194 116.817 115.700 -0.127 0.000 2.370 261 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 261 S C 2.189 176.804 174.600 0.025 0.000 1.033 261 S CA 1.587 59.712 58.200 -0.125 0.000 1.011 261 S CB -0.843 62.285 63.200 -0.121 0.000 0.852 261 S HN 0.519 nan 8.310 nan 0.000 0.457 262 V N -0.052 119.916 119.914 0.091 0.000 3.573 262 V HA 0.147 4.267 4.120 -0.000 0.000 0.270 262 V C 1.852 178.022 176.094 0.128 0.000 1.221 262 V CA 1.095 63.456 62.300 0.103 0.000 1.163 262 V CB -1.396 30.491 31.823 0.107 0.000 0.847 262 V HN 0.419 nan 8.190 nan 0.000 0.468 263 H N 2.673 121.804 119.070 0.101 0.000 2.270 263 H HA 0.112 4.668 4.556 -0.000 0.000 0.299 263 H C 1.839 177.292 175.328 0.208 0.000 1.077 263 H CA 2.336 58.465 56.048 0.135 0.000 1.294 263 H CB -0.187 29.635 29.762 0.101 0.000 1.371 263 H HN 0.520 nan 8.280 nan 0.000 0.491 264 G N -1.347 107.561 108.800 0.179 0.000 4.379 264 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 264 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 264 G C -0.937 173.982 174.900 0.032 0.000 1.065 264 G CA 0.255 45.463 45.100 0.179 0.000 0.833 264 G HN 0.606 nan 8.290 nan 0.000 0.512 265 A N 1.284 124.119 122.820 0.025 0.000 2.371 265 A HA 0.892 5.212 4.320 -0.000 0.000 0.311 265 A C -2.670 174.915 177.584 0.002 0.000 1.068 265 A CA -1.659 50.380 52.037 0.003 0.000 0.744 265 A CB 1.836 20.843 19.000 0.012 0.000 1.239 265 A HN 0.066 nan 8.150 nan 0.000 0.435 266 P HA -0.020 nan 4.420 nan 0.000 0.263 266 P C -0.218 177.093 177.300 0.018 0.000 1.168 266 P CA 0.613 63.720 63.100 0.011 0.000 0.759 266 P CB 0.280 31.988 31.700 0.015 0.000 0.782 267 L N 2.025 123.258 121.223 0.017 0.000 2.467 267 L HA 0.105 4.445 4.340 -0.000 0.000 0.270 267 L C 1.264 178.144 176.870 0.018 0.000 1.205 267 L CA -0.110 54.743 54.840 0.022 0.000 0.828 267 L CB -0.234 41.829 42.059 0.006 0.000 1.101 267 L HN 0.283 nan 8.230 nan 0.000 0.479 268 K N 1.256 121.674 120.400 0.030 0.000 2.368 268 K HA 0.152 4.472 4.320 -0.000 0.000 0.282 268 K C 0.839 177.442 176.600 0.005 0.000 1.035 268 K CA 0.540 56.842 56.287 0.025 0.000 0.973 268 K CB 1.273 33.801 32.500 0.046 0.000 0.957 268 K HN 0.621 nan 8.250 nan 0.000 0.474 269 A N 3.877 126.699 122.820 0.004 0.000 1.915 269 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 269 A C 1.518 179.095 177.584 -0.013 0.000 1.198 269 A CA 2.407 54.442 52.037 -0.003 0.000 0.647 269 A CB -0.742 18.260 19.000 0.004 0.000 0.825 269 A HN 0.964 nan 8.150 nan 0.000 0.456 270 D N -0.699 119.693 120.400 -0.012 0.000 2.178 270 D HA -0.209 4.431 4.640 -0.000 0.000 0.201 270 D C 1.382 177.655 176.300 -0.046 0.000 0.980 270 D CA 1.599 55.584 54.000 -0.024 0.000 0.842 270 D CB -0.485 40.305 40.800 -0.016 0.000 0.948 270 D HN 0.521 nan 8.370 nan 0.000 0.472 271 D N 0.602 120.972 120.400 -0.050 0.000 2.249 271 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 271 D C 2.117 178.372 176.300 -0.076 0.000 0.962 271 D CA 0.315 54.265 54.000 -0.084 0.000 0.860 271 D CB 0.182 40.929 40.800 -0.088 0.000 0.955 271 D HN 0.063 nan 8.370 nan 0.000 0.505 272 V N 0.482 120.366 119.914 -0.051 0.000 2.488 272 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 272 V C 2.439 178.502 176.094 -0.053 0.000 1.046 272 V CA 1.211 63.481 62.300 -0.050 0.000 1.053 272 V CB -0.311 31.488 31.823 -0.040 0.000 0.679 272 V HN 0.184 nan 8.190 nan 0.000 0.458 273 K N 0.611 120.984 120.400 -0.045 0.000 2.002 273 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 273 K C 2.285 178.847 176.600 -0.062 0.000 1.048 273 K CA 1.971 58.235 56.287 -0.039 0.000 0.930 273 K CB -0.286 32.197 32.500 -0.029 0.000 0.714 273 K HN 0.649 nan 8.250 nan 0.000 0.438 274 Q N 1.404 121.152 119.800 -0.086 0.000 2.181 274 Q HA -0.180 4.160 4.340 -0.000 0.000 0.205 274 Q C 1.953 177.841 176.000 -0.186 0.000 0.980 274 Q CA 1.413 57.142 55.803 -0.124 0.000 0.862 274 Q CB -0.616 28.042 28.738 -0.132 0.000 0.905 274 Q HN 0.263 nan 8.270 nan 0.000 0.429 275 L N 0.314 121.431 121.223 -0.176 0.000 1.994 275 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 275 L C 2.002 178.745 176.870 -0.212 0.000 1.071 275 L CA 2.004 56.706 54.840 -0.230 0.000 0.745 275 L CB -0.404 41.598 42.059 -0.096 0.000 0.892 275 L HN 0.130 nan 8.230 nan 0.000 0.431 276 K N -0.566 119.786 120.400 -0.081 0.000 2.032 276 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 276 K C 2.025 178.644 176.600 0.030 0.000 1.048 276 K CA 1.843 58.132 56.287 0.002 0.000 0.927 276 K CB -0.304 32.214 32.500 0.030 0.000 0.712 276 K HN 0.408 nan 8.250 nan 0.000 0.441 277 S N 1.209 116.888 115.700 -0.034 0.000 2.368 277 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 277 S C 1.860 176.406 174.600 -0.090 0.000 1.030 277 S CA 1.211 59.393 58.200 -0.029 0.000 0.999 277 S CB -0.145 63.022 63.200 -0.055 0.000 0.844 277 S HN 0.289 nan 8.310 nan 0.000 0.459 278 K N 0.261 120.501 120.400 -0.266 0.000 2.103 278 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 278 K C 0.590 176.918 176.600 -0.453 0.000 1.048 278 K CA 1.236 57.239 56.287 -0.474 0.000 0.930 278 K CB -0.149 31.856 32.500 -0.826 0.000 0.716 278 K HN 0.288 nan 8.250 nan 0.000 0.444 279 F N -0.077 119.883 119.950 0.017 0.000 2.660 279 F HA 0.281 4.808 4.527 -0.000 0.000 0.302 279 F C 1.316 177.251 175.800 0.224 0.000 1.103 279 F CA 0.192 58.227 58.000 0.059 0.000 1.340 279 F CB 0.510 39.465 39.000 -0.076 0.000 1.048 279 F HN 0.269 nan 8.300 nan 0.000 0.551 280 G N -0.478 108.498 108.800 0.294 0.000 2.159 280 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 280 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 280 G C 0.182 175.254 174.900 0.286 0.000 0.977 280 G CA -0.273 44.973 45.100 0.243 0.000 0.652 280 G HN 0.166 nan 8.290 nan 0.000 0.531 281 F N 0.306 120.283 119.950 0.045 0.000 2.411 281 F HA 0.634 5.161 4.527 -0.000 0.000 0.324 281 F C 0.657 176.463 175.800 0.009 0.000 1.086 281 F CA -1.702 56.315 58.000 0.027 0.000 1.028 281 F CB 0.804 39.826 39.000 0.037 0.000 1.284 281 F HN 0.017 nan 8.300 nan 0.000 0.501 282 N N 2.972 121.774 118.700 0.170 0.000 2.422 282 N HA 0.209 4.949 4.740 -0.000 0.000 0.264 282 N C -1.916 173.645 175.510 0.087 0.000 1.063 282 N CA -2.230 50.872 53.050 0.087 0.000 0.959 282 N CB 1.109 39.626 38.487 0.049 0.000 1.087 282 N HN 0.116 nan 8.380 nan 0.000 0.483 283 P HA -0.035 nan 4.420 nan 0.000 0.225 283 P C -0.393 176.925 177.300 0.030 0.000 1.148 283 P CA 0.984 64.103 63.100 0.032 0.000 0.779 283 P CB 0.436 32.142 31.700 0.009 0.000 0.780 284 D N -0.498 119.924 120.400 0.036 0.000 2.358 284 D HA 0.140 4.780 4.640 -0.000 0.000 0.224 284 D C 0.461 176.791 176.300 0.051 0.000 1.123 284 D CA 0.393 54.414 54.000 0.036 0.000 0.833 284 D CB 0.391 41.208 40.800 0.028 0.000 0.946 284 D HN 0.250 nan 8.370 nan 0.000 0.505 285 K N -0.462 119.977 120.400 0.065 0.000 2.395 285 K HA 0.590 4.910 4.320 -0.000 0.000 0.247 285 K C -0.704 175.953 176.600 0.096 0.000 0.973 285 K CA -0.598 55.740 56.287 0.085 0.000 0.828 285 K CB 2.458 35.011 32.500 0.088 0.000 1.272 285 K HN -0.244 nan 8.250 nan 0.000 0.439 286 S N 0.745 116.528 115.700 0.138 0.000 2.568 286 S HA 0.486 4.956 4.470 -0.000 0.000 0.293 286 S C -1.028 173.758 174.600 0.310 0.000 1.089 286 S CA -0.746 57.546 58.200 0.153 0.000 0.945 286 S CB 0.487 63.846 63.200 0.266 0.000 1.077 286 S HN 0.633 nan 8.310 nan 0.000 0.485 287 F N 0.189 120.167 119.950 0.047 0.000 2.907 287 F HA -0.165 4.362 4.527 -0.000 0.000 0.244 287 F C 0.042 175.888 175.800 0.076 0.000 1.007 287 F CA -0.120 57.904 58.000 0.040 0.000 0.872 287 F CB -1.777 37.230 39.000 0.012 0.000 0.767 287 F HN 0.187 nan 8.300 nan 0.000 0.837 288 V N 0.891 120.938 119.914 0.222 0.000 2.439 288 V HA 0.568 4.688 4.120 -0.000 0.000 0.282 288 V C 0.261 176.478 176.094 0.205 0.000 1.039 288 V CA -0.795 61.627 62.300 0.204 0.000 0.913 288 V CB 1.940 33.879 31.823 0.193 0.000 0.983 288 V HN 0.046 nan 8.190 nan 0.000 0.460 289 V N 6.494 126.494 119.914 0.144 0.000 2.385 289 V HA 0.306 4.426 4.120 -0.000 0.000 0.277 289 V C -2.376 173.704 176.094 -0.023 0.000 1.012 289 V CA -1.688 60.631 62.300 0.031 0.000 0.832 289 V CB 1.415 33.190 31.823 -0.079 0.000 1.028 289 V HN 0.775 nan 8.190 nan 0.000 0.436 290 P HA -0.067 nan 4.420 nan 0.000 0.261 290 P C 0.810 178.103 177.300 -0.011 0.000 1.165 290 P CA 0.420 63.486 63.100 -0.056 0.000 0.759 290 P CB 0.639 32.274 31.700 -0.108 0.000 0.772 291 Q N 3.089 122.934 119.800 0.075 0.000 2.181 291 Q HA -0.236 4.104 4.340 -0.000 0.000 0.205 291 Q C 1.276 177.350 176.000 0.123 0.000 0.980 291 Q CA 1.913 57.824 55.803 0.180 0.000 0.862 291 Q CB -0.346 28.474 28.738 0.135 0.000 0.905 291 Q HN 0.435 nan 8.270 nan 0.000 0.429 292 E N -1.029 119.196 120.200 0.042 0.000 2.153 292 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 292 E C 1.883 178.495 176.600 0.019 0.000 0.988 292 E CA 1.192 57.608 56.400 0.026 0.000 0.811 292 E CB -0.153 29.538 29.700 -0.015 0.000 0.746 292 E HN 0.178 nan 8.360 nan 0.000 0.466 293 V N 0.124 120.020 119.914 -0.030 0.000 2.270 293 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 293 V C 1.663 177.773 176.094 0.027 0.000 1.043 293 V CA 1.623 63.875 62.300 -0.079 0.000 1.014 293 V CB -0.515 31.239 31.823 -0.115 0.000 0.645 293 V HN 0.266 nan 8.190 nan 0.000 0.447 294 Y N 1.016 121.379 120.300 0.106 0.000 2.165 294 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 294 Y C 2.492 178.444 175.900 0.088 0.000 1.155 294 Y CA 1.551 59.720 58.100 0.114 0.000 1.164 294 Y CB -0.764 37.740 38.460 0.074 0.000 0.978 294 Y HN 0.369 nan 8.280 nan 0.000 0.513 295 D N -1.794 118.741 120.400 0.225 0.000 2.117 295 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 295 D C 2.034 178.379 176.300 0.075 0.000 0.987 295 D CA 1.701 55.776 54.000 0.126 0.000 0.829 295 D CB -0.585 40.270 40.800 0.091 0.000 0.961 295 D HN 0.434 nan 8.370 nan 0.000 0.460 296 H N -0.488 118.559 119.070 -0.038 0.000 2.293 296 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 296 H C 1.569 176.831 175.328 -0.110 0.000 1.082 296 H CA 1.633 57.600 56.048 -0.134 0.000 1.308 296 H CB -0.282 29.305 29.762 -0.293 0.000 1.375 296 H HN 0.097 nan 8.280 nan 0.000 0.495 297 Y N -0.022 120.334 120.300 0.094 0.000 2.439 297 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 297 Y C 2.664 178.580 175.900 0.026 0.000 1.130 297 Y CA 1.097 59.233 58.100 0.061 0.000 1.254 297 Y CB -0.432 38.114 38.460 0.144 0.000 1.000 297 Y HN 0.336 nan 8.280 nan 0.000 0.554 298 Q N 0.933 120.830 119.800 0.162 0.000 2.119 298 Q HA -0.180 4.159 4.340 -0.000 0.000 0.201 298 Q C 2.270 178.290 176.000 0.032 0.000 0.972 298 Q CA 1.894 57.750 55.803 0.089 0.000 0.847 298 Q CB -0.073 28.708 28.738 0.071 0.000 0.903 298 Q HN 0.426 nan 8.270 nan 0.000 0.433 299 K N -1.024 119.367 120.400 -0.015 0.000 2.021 299 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 299 K C 2.001 178.564 176.600 -0.062 0.000 1.047 299 K CA 1.713 57.969 56.287 -0.052 0.000 0.943 299 K CB -0.295 32.151 32.500 -0.089 0.000 0.725 299 K HN 0.388 nan 8.250 nan 0.000 0.439 300 T N -1.584 112.897 114.554 -0.123 0.000 3.023 300 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 300 T C 1.738 176.459 174.700 0.036 0.000 1.093 300 T CA 0.812 62.864 62.100 -0.079 0.000 1.129 300 T CB -0.025 68.733 68.868 -0.183 0.000 0.899 300 T HN 0.264 nan 8.240 nan 0.000 0.491 301 I N -1.318 119.306 120.570 0.090 0.000 3.878 301 I HA 0.316 4.486 4.170 -0.000 0.000 0.273 301 I C 2.096 178.259 176.117 0.076 0.000 1.165 301 I CA -0.159 61.215 61.300 0.123 0.000 1.360 301 I CB -0.008 38.121 38.000 0.215 0.000 1.539 301 I HN 0.087 nan 8.210 nan 0.000 0.447 302 L N 1.500 122.760 121.223 0.063 0.000 2.023 302 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 302 L C 2.516 179.380 176.870 -0.010 0.000 1.073 302 L CA 1.768 56.614 54.840 0.009 0.000 0.745 302 L CB -0.128 41.934 42.059 0.005 0.000 0.900 302 L HN 0.078 nan 8.230 nan 0.000 0.435 303 K N -0.373 120.025 120.400 -0.004 0.000 2.026 303 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 303 K C -0.431 176.161 176.600 -0.014 0.000 1.048 303 K CA 1.675 57.953 56.287 -0.015 0.000 0.929 303 K CB -1.174 31.319 32.500 -0.012 0.000 0.713 303 K HN 0.293 nan 8.250 nan 0.000 0.439 304 P HA -0.214 nan 4.420 nan 0.000 0.216 304 P C 1.312 178.621 177.300 0.014 0.000 1.157 304 P CA 1.880 64.989 63.100 0.015 0.000 0.880 304 P CB -0.243 31.476 31.700 0.031 0.000 0.791 305 G N -0.539 108.272 108.800 0.019 0.000 2.476 305 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 305 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 305 G C 1.606 176.438 174.900 -0.113 0.000 1.164 305 G CA 1.031 46.138 45.100 0.012 0.000 0.768 305 G HN 0.185 nan 8.290 nan 0.000 0.560 306 V N 0.425 120.275 119.914 -0.106 0.000 2.453 306 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 306 V C 2.599 178.605 176.094 -0.147 0.000 1.048 306 V CA 2.018 64.227 62.300 -0.152 0.000 1.049 306 V CB -0.415 31.347 31.823 -0.102 0.000 0.672 306 V HN 0.438 nan 8.190 nan 0.000 0.457 307 E N 0.430 120.579 120.200 -0.085 0.000 2.051 307 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 307 E C 2.352 178.910 176.600 -0.070 0.000 0.991 307 E CA 1.384 57.749 56.400 -0.058 0.000 0.799 307 E CB -0.349 29.340 29.700 -0.018 0.000 0.748 307 E HN 0.588 nan 8.360 nan 0.000 0.449 308 A N 1.527 124.306 122.820 -0.068 0.000 1.940 308 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 308 A C 1.994 179.471 177.584 -0.178 0.000 1.176 308 A CA 1.645 53.679 52.037 -0.006 0.000 0.631 308 A CB -0.583 18.519 19.000 0.171 0.000 0.814 308 A HN 0.165 nan 8.150 nan 0.000 0.446 309 N N 0.284 118.570 118.700 -0.691 0.000 2.166 309 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 309 N C 1.576 176.887 175.510 -0.331 0.000 1.019 309 N CA 1.676 54.075 53.050 -1.085 0.000 0.856 309 N CB -0.483 37.308 38.487 -1.160 0.000 0.993 309 N HN 0.538 nan 8.380 nan 0.000 0.426 310 N N 0.354 118.942 118.700 -0.187 0.000 2.135 310 N HA -0.051 4.689 4.740 -0.000 0.000 0.186 310 N C 1.310 176.833 175.510 0.022 0.000 1.027 310 N CA 1.200 54.215 53.050 -0.057 0.000 0.849 310 N CB -0.020 38.434 38.487 -0.056 0.000 1.002 310 N HN 0.011 nan 8.380 nan 0.000 0.425 311 K N -0.486 119.938 120.400 0.039 0.000 2.097 311 K HA -0.092 4.227 4.320 -0.000 0.000 0.206 311 K C 1.624 178.297 176.600 0.122 0.000 1.049 311 K CA 0.947 57.278 56.287 0.073 0.000 0.933 311 K CB -0.708 31.844 32.500 0.087 0.000 0.717 311 K HN 0.353 nan 8.250 nan 0.000 0.442 312 W N 1.806 123.150 121.300 0.074 0.000 2.335 312 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 312 W C 1.588 178.218 176.519 0.185 0.000 1.213 312 W CA 2.001 59.453 57.345 0.180 0.000 1.274 312 W CB -0.496 29.169 29.460 0.342 0.000 1.148 312 W HN 0.129 nan 8.180 nan 0.000 0.498 313 N N 0.069 118.958 118.700 0.316 0.000 2.069 313 N HA -0.246 4.494 4.740 -0.000 0.000 0.191 313 N C 1.908 177.458 175.510 0.065 0.000 1.031 313 N CA 1.874 55.061 53.050 0.229 0.000 0.852 313 N CB -0.372 38.238 38.487 0.204 0.000 1.018 313 N HN -0.115 nan 8.380 nan 0.000 0.423 314 K N 0.689 121.114 120.400 0.040 0.000 2.063 314 K HA -0.137 4.182 4.320 -0.000 0.000 0.208 314 K C 1.935 178.539 176.600 0.006 0.000 1.048 314 K CA 0.896 57.193 56.287 0.017 0.000 0.928 314 K CB -0.590 31.921 32.500 0.018 0.000 0.713 314 K HN 0.176 nan 8.250 nan 0.000 0.442 315 L N 0.338 121.548 121.223 -0.021 0.000 2.056 315 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 315 L C 2.213 179.105 176.870 0.037 0.000 1.078 315 L CA 1.533 56.378 54.840 0.008 0.000 0.749 315 L CB -0.733 41.285 42.059 -0.069 0.000 0.901 315 L HN 0.087 nan 8.230 nan 0.000 0.433 316 F N 0.082 119.807 119.950 -0.374 0.000 2.171 316 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 316 F C 2.452 178.230 175.800 -0.035 0.000 1.090 316 F CA 1.429 59.215 58.000 -0.356 0.000 1.293 316 F CB -0.775 37.760 39.000 -0.775 0.000 1.013 316 F HN 0.198 nan 8.300 nan 0.000 0.486 317 S N 0.216 115.791 115.700 -0.209 0.000 2.356 317 S HA -0.189 4.281 4.470 -0.000 0.000 0.223 317 S C 1.806 176.345 174.600 -0.101 0.000 1.032 317 S CA 1.297 59.376 58.200 -0.201 0.000 1.005 317 S CB -0.472 62.677 63.200 -0.086 0.000 0.867 317 S HN 0.372 nan 8.310 nan 0.000 0.449 318 E N 0.823 121.040 120.200 0.029 0.000 2.085 318 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 318 E C 1.739 178.406 176.600 0.113 0.000 0.994 318 E CA 1.099 57.571 56.400 0.120 0.000 0.801 318 E CB -0.544 29.314 29.700 0.263 0.000 0.743 318 E HN 0.729 nan 8.360 nan 0.000 0.453 319 Y N 1.868 122.172 120.300 0.006 0.000 2.165 319 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 319 Y C 2.079 177.873 175.900 -0.177 0.000 1.155 319 Y CA 2.025 60.017 58.100 -0.181 0.000 1.164 319 Y CB -0.014 38.429 38.460 -0.028 0.000 0.978 319 Y HN 0.092 nan 8.280 nan 0.000 0.513 320 Q N -0.312 119.381 119.800 -0.178 0.000 2.435 320 Q HA -0.081 4.259 4.340 -0.000 0.000 0.207 320 Q C 1.813 177.686 176.000 -0.212 0.000 0.956 320 Q CA 0.817 56.485 55.803 -0.225 0.000 0.917 320 Q CB 0.075 28.637 28.738 -0.293 0.000 0.997 320 Q HN 0.503 nan 8.270 nan 0.000 0.497 321 K N 0.468 120.747 120.400 -0.202 0.000 2.067 321 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 321 K C 1.978 178.405 176.600 -0.288 0.000 1.048 321 K CA 0.496 56.672 56.287 -0.185 0.000 0.954 321 K CB 0.139 32.566 32.500 -0.122 0.000 0.737 321 K HN -0.075 nan 8.250 nan 0.000 0.444 322 K N 0.292 120.443 120.400 -0.416 0.000 2.097 322 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 322 K C 0.051 175.957 176.600 -1.156 0.000 1.050 322 K CA 1.028 56.847 56.287 -0.781 0.000 0.938 322 K CB 0.174 32.108 32.500 -0.944 0.000 0.718 322 K HN 0.029 nan 8.250 nan 0.000 0.442 323 F N 0.448 120.082 119.950 -0.526 0.000 2.552 323 F HA 0.263 4.790 4.527 -0.000 0.000 0.369 323 F C -1.894 173.706 175.800 -0.334 0.000 1.112 323 F CA -2.408 55.314 58.000 -0.463 0.000 1.129 323 F CB 1.643 40.207 39.000 -0.728 0.000 1.360 323 F HN -0.106 nan 8.300 nan 0.000 0.473 324 P HA -0.142 nan 4.420 nan 0.000 0.208 324 P C 1.365 178.658 177.300 -0.011 0.000 1.195 324 P CA 1.524 64.575 63.100 -0.082 0.000 0.927 324 P CB 0.411 32.064 31.700 -0.079 0.000 0.778 325 E N -0.499 119.710 120.200 0.015 0.000 2.055 325 E HA -0.221 4.129 4.350 -0.000 0.000 0.209 325 E C 1.965 178.631 176.600 0.110 0.000 1.036 325 E CA 1.295 57.726 56.400 0.052 0.000 0.849 325 E CB -1.560 28.171 29.700 0.051 0.000 0.767 325 E HN 0.009 nan 8.360 nan 0.000 0.461 326 L N 0.119 121.429 121.223 0.146 0.000 2.043 326 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 326 L C 2.198 179.265 176.870 0.329 0.000 1.075 326 L CA 2.286 57.294 54.840 0.280 0.000 0.752 326 L CB -1.135 41.067 42.059 0.239 0.000 0.891 326 L HN 0.300 nan 8.230 nan 0.000 0.432 327 G N -1.989 106.939 108.800 0.215 0.000 2.403 327 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.216 327 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.216 327 G C 1.631 176.640 174.900 0.183 0.000 1.154 327 G CA 0.665 45.921 45.100 0.260 0.000 0.784 327 G HN 0.534 nan 8.290 nan 0.000 0.538 328 A N 0.739 123.622 122.820 0.105 0.000 1.898 328 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 328 A C 2.105 179.748 177.584 0.099 0.000 1.181 328 A CA 1.943 54.029 52.037 0.082 0.000 0.620 328 A CB -0.401 18.628 19.000 0.048 0.000 0.819 328 A HN 0.472 nan 8.150 nan 0.000 0.442 329 E N -0.542 119.728 120.200 0.117 0.000 2.017 329 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 329 E C 1.902 178.529 176.600 0.045 0.000 0.997 329 E CA 1.450 57.913 56.400 0.106 0.000 0.804 329 E CB -0.243 29.567 29.700 0.184 0.000 0.757 329 E HN 0.387 nan 8.360 nan 0.000 0.448 330 L N 0.828 122.040 121.223 -0.019 0.000 2.083 330 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 330 L C 2.208 179.073 176.870 -0.010 0.000 1.083 330 L CA 2.078 56.770 54.840 -0.247 0.000 0.752 330 L CB -0.722 41.042 42.059 -0.492 0.000 0.899 330 L HN 0.236 nan 8.230 nan 0.000 0.433 331 A N -0.418 122.530 122.820 0.213 0.000 1.933 331 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 331 A C 2.530 180.171 177.584 0.095 0.000 1.175 331 A CA 1.680 53.858 52.037 0.235 0.000 0.628 331 A CB -0.612 18.544 19.000 0.260 0.000 0.814 331 A HN 0.507 nan 8.150 nan 0.000 0.444 332 R N -0.304 120.233 120.500 0.061 0.000 2.070 332 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 332 R C 2.412 178.709 176.300 -0.005 0.000 1.138 332 R CA 1.740 57.858 56.100 0.031 0.000 0.936 332 R CB -0.346 29.972 30.300 0.030 0.000 0.839 332 R HN 0.518 nan 8.270 nan 0.000 0.429 333 R N 0.311 120.787 120.500 -0.039 0.000 2.103 333 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 333 R C 2.440 178.685 176.300 -0.092 0.000 1.142 333 R CA 1.865 57.912 56.100 -0.089 0.000 0.960 333 R CB -0.540 29.672 30.300 -0.146 0.000 0.858 333 R HN 0.311 nan 8.270 nan 0.000 0.439 334 L N 0.665 121.838 121.223 -0.084 0.000 2.201 334 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 334 L C 2.225 179.081 176.870 -0.023 0.000 1.105 334 L CA 1.261 56.057 54.840 -0.074 0.000 0.775 334 L CB -0.310 41.710 42.059 -0.065 0.000 0.913 334 L HN 0.273 nan 8.230 nan 0.000 0.440 335 S N -0.981 114.724 115.700 0.007 0.000 2.593 335 S HA 0.181 4.651 4.470 -0.000 0.000 0.217 335 S C 1.481 176.089 174.600 0.014 0.000 0.966 335 S CA 0.252 58.465 58.200 0.022 0.000 0.914 335 S CB 0.328 63.552 63.200 0.039 0.000 0.776 335 S HN 0.503 nan 8.310 nan 0.000 0.523 336 G N 0.296 109.092 108.800 -0.005 0.000 2.153 336 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 336 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 336 G C -0.207 174.694 174.900 0.000 0.000 0.994 336 G CA 0.155 45.250 45.100 -0.007 0.000 0.698 336 G HN 0.582 nan 8.290 nan 0.000 0.521 337 Q N -0.788 119.016 119.800 0.007 0.000 2.222 337 Q HA 0.732 5.072 4.340 -0.000 0.000 0.252 337 Q C 0.537 176.540 176.000 0.006 0.000 0.926 337 Q CA -0.706 55.110 55.803 0.022 0.000 0.899 337 Q CB 1.257 30.018 28.738 0.038 0.000 1.250 337 Q HN 0.196 nan 8.270 nan 0.000 0.441 338 L N 3.191 124.426 121.223 0.020 0.000 2.466 338 L HA 0.401 4.741 4.340 -0.000 0.000 0.257 338 L C -1.988 174.911 176.870 0.049 0.000 1.189 338 L CA -1.935 52.885 54.840 -0.034 0.000 0.813 338 L CB -0.295 41.706 42.059 -0.095 0.000 1.118 338 L HN 0.562 nan 8.230 nan 0.000 0.471 339 P HA 0.070 nan 4.420 nan 0.000 0.267 339 P C -1.219 176.199 177.300 0.198 0.000 1.201 339 P CA -0.082 63.076 63.100 0.097 0.000 0.775 339 P CB 0.386 32.130 31.700 0.073 0.000 0.854 340 A N 2.776 125.673 122.820 0.129 0.000 2.328 340 A HA 0.297 4.617 4.320 -0.000 0.000 0.284 340 A C 0.587 178.225 177.584 0.090 0.000 1.160 340 A CA -0.306 51.797 52.037 0.109 0.000 0.818 340 A CB -0.506 18.530 19.000 0.061 0.000 1.087 340 A HN 0.727 nan 8.150 nan 0.000 0.504 341 N N 0.945 119.679 118.700 0.056 0.000 2.747 341 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 341 N C 0.830 176.329 175.510 -0.018 0.000 1.107 341 N CA 1.242 54.275 53.050 -0.028 0.000 0.707 341 N CB -1.120 37.351 38.487 -0.026 0.000 1.054 341 N HN 1.022 nan 8.380 nan 0.000 0.555 342 W N 1.716 123.001 121.300 -0.026 0.000 2.338 342 W HA -0.196 4.464 4.660 -0.000 0.000 0.304 342 W C 1.555 178.051 176.519 -0.039 0.000 1.212 342 W CA 1.533 58.856 57.345 -0.038 0.000 1.264 342 W CB -0.884 28.555 29.460 -0.034 0.000 1.142 342 W HN 0.307 nan 8.180 nan 0.000 0.512 343 E N 1.798 121.364 120.200 -1.057 0.000 2.253 343 E HA -0.300 4.050 4.350 -0.000 0.000 0.202 343 E C 1.967 178.307 176.600 -0.433 0.000 1.014 343 E CA 2.364 58.154 56.400 -1.016 0.000 0.823 343 E CB -1.070 28.105 29.700 -0.874 0.000 0.736 343 E HN 0.380 nan 8.360 nan 0.000 0.478 344 S N 0.503 116.052 115.700 -0.252 0.000 2.561 344 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 344 S C 1.706 176.241 174.600 -0.108 0.000 0.977 344 S CA 0.573 58.681 58.200 -0.154 0.000 0.926 344 S CB 0.060 63.197 63.200 -0.106 0.000 0.769 344 S HN 0.168 nan 8.310 nan 0.000 0.533 345 K N 0.486 120.839 120.400 -0.079 0.000 2.444 345 K HA 0.306 4.626 4.320 -0.000 0.000 0.193 345 K C -0.114 176.460 176.600 -0.043 0.000 1.024 345 K CA -0.152 56.112 56.287 -0.039 0.000 1.077 345 K CB -0.091 32.416 32.500 0.012 0.000 0.833 345 K HN 0.414 nan 8.250 nan 0.000 0.517 346 L N 2.757 123.932 121.223 -0.080 0.000 2.380 346 L HA 0.199 4.539 4.340 -0.000 0.000 0.273 346 L C -2.131 174.681 176.870 -0.098 0.000 1.138 346 L CA -2.089 52.709 54.840 -0.069 0.000 0.832 346 L CB 0.437 42.435 42.059 -0.102 0.000 1.124 346 L HN -0.018 nan 8.230 nan 0.000 0.454 347 P HA 0.206 nan 4.420 nan 0.000 0.280 347 P C -0.718 176.378 177.300 -0.340 0.000 1.244 347 P CA -0.454 62.495 63.100 -0.252 0.000 0.784 347 P CB 1.074 32.622 31.700 -0.253 0.000 0.913 348 T N 0.032 114.326 114.554 -0.434 0.000 2.940 348 T HA 0.732 5.082 4.350 -0.000 0.000 0.288 348 T C -0.930 173.436 174.700 -0.555 0.000 1.033 348 T CA -0.574 61.335 62.100 -0.319 0.000 1.033 348 T CB 0.825 69.605 68.868 -0.146 0.000 1.079 348 T HN 0.233 nan 8.240 nan 0.000 0.496 349 Y N -0.503 119.804 120.300 0.012 0.000 2.615 349 Y HA 0.660 5.210 4.550 -0.000 0.000 0.341 349 Y C 0.694 176.606 175.900 0.020 0.000 1.089 349 Y CA -1.042 57.068 58.100 0.018 0.000 1.049 349 Y CB 2.180 40.655 38.460 0.025 0.000 1.296 349 Y HN 1.060 nan 8.280 nan 0.000 0.470 350 T N -2.518 112.146 114.554 0.182 0.000 2.927 350 T HA 0.666 5.016 4.350 -0.000 0.000 0.286 350 T C 0.861 175.626 174.700 0.108 0.000 1.040 350 T CA -0.333 61.837 62.100 0.115 0.000 1.010 350 T CB 1.579 70.490 68.868 0.072 0.000 1.177 350 T HN 0.773 nan 8.240 nan 0.000 0.546 351 A N 0.199 123.065 122.820 0.076 0.000 2.121 351 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 351 A C 1.871 179.485 177.584 0.048 0.000 1.154 351 A CA 0.935 53.007 52.037 0.057 0.000 0.679 351 A CB -0.841 18.188 19.000 0.048 0.000 0.795 351 A HN 0.875 nan 8.150 nan 0.000 0.458 352 K N 0.220 120.651 120.400 0.052 0.000 2.487 352 K HA 0.089 4.409 4.320 -0.000 0.000 0.192 352 K C -0.649 175.982 176.600 0.052 0.000 1.027 352 K CA 0.305 56.618 56.287 0.044 0.000 1.054 352 K CB -0.067 32.457 32.500 0.039 0.000 0.824 352 K HN 0.355 nan 8.250 nan 0.000 0.510 353 D N 1.461 121.904 120.400 0.071 0.000 2.387 353 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 353 D C -0.161 176.165 176.300 0.044 0.000 1.141 353 D CA -0.270 53.780 54.000 0.083 0.000 0.987 353 D CB 0.953 41.850 40.800 0.161 0.000 1.116 353 D HN 0.056 nan 8.370 nan 0.000 0.491 354 S N -0.385 115.335 115.700 0.034 0.000 2.601 354 S HA 0.591 5.061 4.470 -0.000 0.000 0.271 354 S C -0.041 174.544 174.600 -0.025 0.000 1.305 354 S CA -1.131 57.074 58.200 0.008 0.000 1.022 354 S CB 1.291 64.501 63.200 0.018 0.000 0.940 354 S HN 0.546 nan 8.310 nan 0.000 0.525 355 A N 2.075 124.881 122.820 -0.022 0.000 2.548 355 A HA 0.518 4.838 4.320 -0.000 0.000 0.247 355 A C -0.094 177.466 177.584 -0.041 0.000 1.067 355 A CA -0.341 51.674 52.037 -0.036 0.000 0.757 355 A CB -0.639 18.347 19.000 -0.023 0.000 0.996 355 A HN 0.930 nan 8.150 nan 0.000 0.504 356 V N 1.553 121.429 119.914 -0.062 0.000 2.971 356 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 356 V C 0.492 176.557 176.094 -0.048 0.000 1.130 356 V CA -0.540 61.727 62.300 -0.056 0.000 0.964 356 V CB 1.575 33.343 31.823 -0.092 0.000 1.029 356 V HN 1.309 nan 8.190 nan 0.000 0.427 357 A N 1.354 124.159 122.820 -0.026 0.000 2.425 357 A HA 0.485 4.805 4.320 -0.000 0.000 0.249 357 A C 1.414 178.992 177.584 -0.010 0.000 1.084 357 A CA 0.483 52.510 52.037 -0.018 0.000 0.781 357 A CB 0.369 19.361 19.000 -0.013 0.000 1.019 357 A HN 1.318 nan 8.150 nan 0.000 0.490 358 T N -0.062 114.493 114.554 0.002 0.000 2.977 358 T HA -0.172 4.178 4.350 -0.000 0.000 0.271 358 T C 1.689 176.425 174.700 0.059 0.000 1.105 358 T CA 1.309 63.423 62.100 0.023 0.000 1.116 358 T CB -0.315 68.575 68.868 0.037 0.000 0.878 358 T HN 0.730 nan 8.240 nan 0.000 0.509 359 R N 1.382 121.917 120.500 0.059 0.000 2.083 359 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 359 R C 2.440 178.793 176.300 0.087 0.000 1.137 359 R CA 1.768 57.922 56.100 0.089 0.000 0.951 359 R CB -0.219 30.127 30.300 0.077 0.000 0.851 359 R HN 0.340 nan 8.270 nan 0.000 0.434 360 K N 0.817 121.252 120.400 0.059 0.000 2.062 360 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 360 K C 1.997 178.638 176.600 0.068 0.000 1.051 360 K CA 1.348 57.671 56.287 0.060 0.000 0.941 360 K CB -0.352 32.171 32.500 0.038 0.000 0.719 360 K HN 0.265 nan 8.250 nan 0.000 0.440 361 L N 0.575 121.829 121.223 0.052 0.000 2.191 361 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 361 L C 2.505 179.449 176.870 0.124 0.000 1.103 361 L CA 1.385 56.267 54.840 0.070 0.000 0.769 361 L CB -0.615 41.446 42.059 0.004 0.000 0.908 361 L HN 0.281 nan 8.230 nan 0.000 0.438 362 S N -0.273 115.511 115.700 0.141 0.000 2.355 362 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 362 S C 1.988 176.636 174.600 0.080 0.000 1.031 362 S CA 1.550 59.869 58.200 0.199 0.000 0.993 362 S CB -0.103 63.232 63.200 0.225 0.000 0.859 362 S HN 0.468 nan 8.310 nan 0.000 0.453 363 E N -0.280 119.973 120.200 0.089 0.000 2.058 363 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 363 E C 1.807 178.451 176.600 0.073 0.000 0.997 363 E CA 1.688 58.137 56.400 0.082 0.000 0.801 363 E CB -0.335 29.419 29.700 0.091 0.000 0.746 363 E HN 0.557 nan 8.360 nan 0.000 0.450 364 T N 0.462 115.066 114.554 0.083 0.000 2.881 364 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 364 T C 1.862 176.594 174.700 0.053 0.000 1.068 364 T CA 0.924 63.078 62.100 0.090 0.000 1.131 364 T CB -0.046 68.901 68.868 0.132 0.000 0.871 364 T HN 0.014 nan 8.240 nan 0.000 0.479 365 V N 1.374 121.288 119.914 0.001 0.000 2.270 365 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 365 V C 2.472 178.478 176.094 -0.147 0.000 1.043 365 V CA 1.437 63.678 62.300 -0.099 0.000 1.014 365 V CB -0.636 31.028 31.823 -0.266 0.000 0.645 365 V HN 0.428 nan 8.190 nan 0.000 0.447 366 L N -0.331 120.778 121.223 -0.190 0.000 1.990 366 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 366 L C 2.700 179.613 176.870 0.072 0.000 1.072 366 L CA 1.885 56.679 54.840 -0.077 0.000 0.755 366 L CB -0.785 41.299 42.059 0.042 0.000 0.889 366 L HN 0.382 nan 8.230 nan 0.000 0.432 367 E N -0.057 120.223 120.200 0.134 0.000 2.118 367 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 367 E C 1.548 178.255 176.600 0.178 0.000 0.992 367 E CA 1.388 57.916 56.400 0.213 0.000 0.804 367 E CB -0.167 29.635 29.700 0.170 0.000 0.741 367 E HN 0.546 nan 8.360 nan 0.000 0.458 368 D N -0.262 120.178 120.400 0.067 0.000 2.347 368 D HA -0.073 4.567 4.640 -0.000 0.000 0.213 368 D C 1.710 177.987 176.300 -0.037 0.000 0.985 368 D CA 0.563 54.571 54.000 0.013 0.000 0.879 368 D CB 0.582 41.384 40.800 0.003 0.000 0.919 368 D HN 0.195 nan 8.370 nan 0.000 0.526 369 V N -1.521 118.362 119.914 -0.051 0.000 3.502 369 V HA 0.095 4.215 4.120 -0.000 0.000 0.288 369 V C 1.876 177.844 176.094 -0.210 0.000 1.461 369 V CA -0.316 61.935 62.300 -0.081 0.000 1.029 369 V CB -0.950 30.880 31.823 0.012 0.000 0.843 369 V HN 0.082 nan 8.190 nan 0.000 0.438 370 Y N 0.659 120.745 120.300 -0.356 0.000 2.352 370 Y HA 0.090 4.640 4.550 0.000 0.000 0.292 370 Y C 2.046 177.694 175.900 -0.419 0.000 1.136 370 Y CA 1.833 59.574 58.100 -0.598 0.000 1.227 370 Y CB -1.012 36.610 38.460 -1.397 0.000 0.991 370 Y HN 0.298 nan 8.280 nan 0.000 0.545 371 N N -0.052 117.954 118.700 -1.158 0.000 2.416 371 N HA -0.149 4.591 4.740 -0.000 0.000 0.177 371 N C 1.637 176.927 175.510 -0.366 0.000 1.036 371 N CA 0.618 53.183 53.050 -0.808 0.000 0.901 371 N CB 0.071 38.035 38.487 -0.872 0.000 0.976 371 N HN 0.466 nan 8.380 nan 0.000 0.444 372 Q N 0.618 120.248 119.800 -0.284 0.000 2.172 372 Q HA 0.068 4.408 4.340 -0.000 0.000 0.200 372 Q C 0.087 176.007 176.000 -0.134 0.000 0.964 372 Q CA 1.015 56.736 55.803 -0.136 0.000 0.855 372 Q CB 0.288 28.999 28.738 -0.046 0.000 0.918 372 Q HN 0.261 nan 8.270 nan 0.000 0.444 373 L N 2.269 123.380 121.223 -0.186 0.000 2.445 373 L HA 0.361 4.701 4.340 -0.000 0.000 0.252 373 L C -1.853 174.943 176.870 -0.123 0.000 1.105 373 L CA -1.410 53.323 54.840 -0.179 0.000 0.943 373 L CB 1.277 43.178 42.059 -0.263 0.000 1.277 373 L HN 0.065 nan 8.230 nan 0.000 0.465 374 P HA -0.171 nan 4.420 nan 0.000 0.228 374 P C 0.756 178.073 177.300 0.029 0.000 1.151 374 P CA 1.066 64.165 63.100 -0.003 0.000 0.770 374 P CB 0.314 32.031 31.700 0.028 0.000 0.786 375 E N -0.586 119.603 120.200 -0.018 0.000 2.489 375 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 375 E C 0.562 177.205 176.600 0.072 0.000 1.057 375 E CA -0.324 56.066 56.400 -0.016 0.000 0.866 375 E CB -0.520 29.109 29.700 -0.118 0.000 0.916 375 E HN 0.210 nan 8.360 nan 0.000 0.500 376 L N 2.246 123.490 121.223 0.034 0.000 2.433 376 L HA 0.257 4.597 4.340 -0.000 0.000 0.275 376 L C -0.346 176.601 176.870 0.127 0.000 1.128 376 L CA 0.025 54.906 54.840 0.069 0.000 0.875 376 L CB 0.493 42.562 42.059 0.017 0.000 1.171 376 L HN 0.129 nan 8.230 nan 0.000 0.463 377 I N 5.088 125.688 120.570 0.051 0.000 2.411 377 I HA 0.589 4.759 4.170 -0.000 0.000 0.284 377 I C 0.323 176.216 176.117 -0.372 0.000 1.012 377 I CA -0.284 60.993 61.300 -0.038 0.000 1.119 377 I CB 0.988 38.929 38.000 -0.097 0.000 1.261 377 I HN 0.669 nan 8.210 nan 0.000 0.448 378 G N 4.084 112.603 108.800 -0.470 0.000 2.511 378 G HA2 0.828 4.788 3.960 -0.000 0.000 0.316 378 G HA3 0.828 4.788 3.960 -0.000 0.000 0.316 378 G C -0.560 173.810 174.900 -0.885 0.000 1.210 378 G CA -0.432 43.954 45.100 -1.189 0.000 0.969 378 G HN 0.926 nan 8.290 nan 0.000 0.492 379 G N -1.817 106.583 108.800 -0.666 0.000 2.387 379 G HA2 0.554 4.514 3.960 -0.000 0.000 0.294 379 G HA3 0.554 4.514 3.960 -0.000 0.000 0.294 379 G C -1.321 173.526 174.900 -0.089 0.000 1.509 379 G CA 0.411 45.110 45.100 -0.669 0.000 0.806 379 G HN 1.211 nan 8.290 nan 0.000 0.546 380 S N -1.394 114.326 115.700 0.034 0.000 2.627 380 S HA 0.756 5.225 4.470 -0.000 0.000 0.283 380 S C 0.052 174.708 174.600 0.093 0.000 1.127 380 S CA 0.363 58.626 58.200 0.105 0.000 0.863 380 S CB 1.679 64.987 63.200 0.181 0.000 1.121 380 S HN 2.039 nan 8.310 nan 0.000 0.479 381 A N 2.413 125.228 122.820 -0.008 0.000 3.215 381 A HA 0.523 4.843 4.320 -0.000 0.000 0.269 381 A C 0.314 177.854 177.584 -0.073 0.000 1.517 381 A CA 0.255 52.274 52.037 -0.030 0.000 1.221 381 A CB -1.352 17.600 19.000 -0.080 0.000 1.160 381 A HN 1.116 nan 8.150 nan 0.000 0.620 382 D N -1.128 119.251 120.400 -0.036 0.000 3.017 382 D HA -0.152 4.488 4.640 -0.000 0.000 0.220 382 D C -0.131 176.106 176.300 -0.105 0.000 1.141 382 D CA 1.178 55.141 54.000 -0.061 0.000 0.848 382 D CB -1.592 39.156 40.800 -0.086 0.000 1.102 382 D HN 0.462 nan 8.370 nan 0.000 0.427 383 L N -0.104 121.056 121.223 -0.106 0.000 3.288 383 L HA 0.268 4.608 4.340 -0.000 0.000 0.293 383 L C 1.822 178.677 176.870 -0.026 0.000 1.294 383 L CA -0.053 54.699 54.840 -0.147 0.000 1.006 383 L CB 0.490 42.326 42.059 -0.373 0.000 1.407 383 L HN -0.034 nan 8.230 nan 0.000 0.592 384 T N 1.157 115.730 114.554 0.032 0.000 2.624 384 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 384 T C -0.528 174.194 174.700 0.036 0.000 1.041 384 T CA 1.860 64.001 62.100 0.069 0.000 1.159 384 T CB -0.756 68.136 68.868 0.040 0.000 0.863 384 T HN 0.319 nan 8.240 nan 0.000 0.434 385 P HA 0.131 nan 4.420 nan 0.000 0.229 385 P C 1.207 178.557 177.300 0.083 0.000 1.160 385 P CA 0.838 63.956 63.100 0.031 0.000 0.777 385 P CB 0.088 31.797 31.700 0.014 0.000 0.814 386 S N 0.799 116.561 115.700 0.105 0.000 2.339 386 S HA -0.016 4.454 4.470 -0.000 0.000 0.213 386 S C 1.744 176.501 174.600 0.262 0.000 1.033 386 S CA 0.949 59.279 58.200 0.216 0.000 0.950 386 S CB -1.115 62.204 63.200 0.197 0.000 0.893 386 S HN 0.299 nan 8.310 nan 0.000 0.492 387 N N 1.925 120.739 118.700 0.189 0.000 2.443 387 N HA 0.103 4.843 4.740 -0.000 0.000 0.184 387 N C -0.115 175.507 175.510 0.187 0.000 1.037 387 N CA 0.335 53.513 53.050 0.213 0.000 0.896 387 N CB -0.377 38.214 38.487 0.173 0.000 0.959 387 N HN 0.178 nan 8.380 nan 0.000 0.442 388 L N 0.178 121.489 121.223 0.148 0.000 3.843 388 L HA -0.226 4.114 4.340 -0.000 0.000 0.411 388 L C 0.708 177.660 176.870 0.136 0.000 1.205 388 L CA 0.546 55.456 54.840 0.117 0.000 0.945 388 L CB -2.627 39.501 42.059 0.115 0.000 1.929 388 L HN 0.428 nan 8.230 nan 0.000 0.934 389 T N -3.602 111.065 114.554 0.188 0.000 3.163 389 T HA 0.063 4.413 4.350 -0.000 0.000 0.260 389 T C 0.902 175.809 174.700 0.345 0.000 1.156 389 T CA 0.345 62.640 62.100 0.325 0.000 1.072 389 T CB 0.029 69.180 68.868 0.472 0.000 0.937 389 T HN 0.318 nan 8.240 nan 0.000 0.528 390 R N 1.162 121.675 120.500 0.022 0.000 2.439 390 R HA 0.383 4.723 4.340 -0.000 0.000 0.310 390 R C -0.634 175.593 176.300 -0.122 0.000 0.955 390 R CA -0.893 55.025 56.100 -0.303 0.000 0.853 390 R CB 1.324 31.155 30.300 -0.781 0.000 1.171 390 R HN 0.561 nan 8.270 nan 0.000 0.449 391 W N 2.883 124.091 121.300 -0.153 0.000 2.034 391 W HA 0.217 4.877 4.660 0.000 0.000 0.357 391 W C 1.145 177.512 176.519 -0.253 0.000 1.326 391 W CA -0.701 56.507 57.345 -0.228 0.000 1.318 391 W CB 0.213 29.385 29.460 -0.481 0.000 1.193 391 W HN 0.309 nan 8.180 nan 0.000 0.620 392 K N 0.354 120.760 120.400 0.010 0.000 2.007 392 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 392 K C 1.666 178.211 176.600 -0.092 0.000 1.047 392 K CA 1.738 57.991 56.287 -0.057 0.000 0.937 392 K CB -0.592 31.919 32.500 0.019 0.000 0.718 392 K HN 0.719 nan 8.250 nan 0.000 0.438 393 E N 0.409 120.615 120.200 0.010 0.000 2.505 393 E HA 0.009 4.359 4.350 -0.000 0.000 0.197 393 E C -0.671 175.898 176.600 -0.051 0.000 1.111 393 E CA -0.191 56.237 56.400 0.045 0.000 0.887 393 E CB -0.076 29.749 29.700 0.208 0.000 0.913 393 E HN 0.277 nan 8.360 nan 0.000 0.517 394 A N 0.874 123.459 122.820 -0.391 0.000 2.386 394 A HA 0.321 4.641 4.320 -0.000 0.000 0.248 394 A C -0.366 177.050 177.584 -0.281 0.000 1.082 394 A CA -0.323 51.348 52.037 -0.610 0.000 0.789 394 A CB 0.486 18.653 19.000 -1.389 0.000 1.025 394 A HN 0.306 nan 8.150 nan 0.000 0.490 395 L N 1.156 122.286 121.223 -0.154 0.000 2.346 395 L HA 0.598 4.938 4.340 -0.000 0.000 0.274 395 L C -1.052 175.779 176.870 -0.066 0.000 1.007 395 L CA -0.425 54.366 54.840 -0.082 0.000 0.818 395 L CB 1.896 43.948 42.059 -0.012 0.000 1.284 395 L HN 0.661 nan 8.230 nan 0.000 0.424 396 D N 2.338 122.706 120.400 -0.055 0.000 2.277 396 D HA 0.209 4.849 4.640 -0.000 0.000 0.250 396 D C -1.001 175.298 176.300 -0.002 0.000 1.032 396 D CA 0.162 54.164 54.000 0.003 0.000 0.947 396 D CB 1.186 41.988 40.800 0.003 0.000 1.159 396 D HN 0.363 nan 8.370 nan 0.000 0.460 397 F N 2.179 122.071 119.950 -0.095 0.000 2.434 397 F HA 0.197 4.724 4.527 -0.000 0.000 0.358 397 F C -0.283 175.453 175.800 -0.106 0.000 1.136 397 F CA 0.223 58.169 58.000 -0.089 0.000 1.157 397 F CB 0.068 38.989 39.000 -0.132 0.000 1.167 397 F HN -0.036 nan 8.300 nan 0.000 0.539 398 Q N 6.328 125.779 119.800 -0.581 0.000 2.511 398 Q HA 0.370 4.710 4.340 -0.000 0.000 0.289 398 Q C -2.759 172.707 176.000 -0.890 0.000 1.021 398 Q CA -2.292 53.194 55.803 -0.528 0.000 0.785 398 Q CB 1.862 30.415 28.738 -0.308 0.000 1.472 398 Q HN 0.302 nan 8.270 nan 0.000 0.411 399 P HA -0.006 nan 4.420 nan 0.000 0.265 399 P C -1.682 175.200 177.300 -0.697 0.000 1.193 399 P CA -0.620 61.902 63.100 -0.963 0.000 0.765 399 P CB 0.217 31.598 31.700 -0.532 0.000 0.823 400 P HA -0.222 nan 4.420 nan 0.000 0.217 400 P C 0.957 178.107 177.300 -0.249 0.000 1.148 400 P CA 1.748 64.630 63.100 -0.363 0.000 0.828 400 P CB -0.392 31.140 31.700 -0.280 0.000 0.783 401 S N 0.769 116.326 115.700 -0.239 0.000 2.440 401 S HA -0.155 4.315 4.470 -0.000 0.000 0.240 401 S C 2.197 176.704 174.600 -0.156 0.000 1.014 401 S CA 1.640 59.739 58.200 -0.168 0.000 0.980 401 S CB -1.363 61.745 63.200 -0.153 0.000 0.775 401 S HN 0.446 nan 8.310 nan 0.000 0.499 402 S N 1.364 116.949 115.700 -0.192 0.000 2.402 402 S HA 0.208 4.678 4.470 -0.000 0.000 0.229 402 S C 1.942 176.478 174.600 -0.107 0.000 1.021 402 S CA 1.006 59.121 58.200 -0.142 0.000 0.974 402 S CB -0.971 62.131 63.200 -0.163 0.000 0.800 402 S HN 1.147 nan 8.310 nan 0.000 0.484 403 G N 0.583 109.313 108.800 -0.117 0.000 2.179 403 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 403 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 403 G C 0.833 175.682 174.900 -0.086 0.000 0.977 403 G CA 0.697 45.743 45.100 -0.090 0.000 0.641 403 G HN 1.354 nan 8.290 nan 0.000 0.533 404 S N -0.584 115.057 115.700 -0.098 0.000 2.559 404 S HA 0.638 5.108 4.470 -0.000 0.000 0.226 404 S C 1.004 175.540 174.600 -0.108 0.000 1.000 404 S CA 0.720 58.867 58.200 -0.089 0.000 0.948 404 S CB 1.441 64.600 63.200 -0.068 0.000 0.870 404 S HN 2.131 nan 8.310 nan 0.000 0.497 405 G N 1.458 110.172 108.800 -0.143 0.000 2.333 405 G HA2 0.433 4.393 3.960 -0.000 0.000 0.288 405 G HA3 0.433 4.393 3.960 -0.000 0.000 0.288 405 G C -2.207 172.550 174.900 -0.237 0.000 1.286 405 G CA -0.376 44.628 45.100 -0.160 0.000 0.865 405 G HN 0.528 nan 8.290 nan 0.000 0.506 406 N N -3.079 115.454 118.700 -0.278 0.000 3.106 406 N HA 0.384 5.123 4.740 -0.000 0.000 0.253 406 N C -0.232 175.013 175.510 -0.441 0.000 1.506 406 N CA -0.935 51.877 53.050 -0.398 0.000 0.876 406 N CB 0.253 38.597 38.487 -0.238 0.000 1.452 406 N HN 0.352 nan 8.380 nan 0.000 0.542 407 Y N -0.395 119.657 120.300 -0.412 0.000 2.680 407 Y HA 0.022 4.572 4.550 -0.000 0.000 0.303 407 Y C 2.146 178.022 175.900 -0.040 0.000 1.166 407 Y CA 0.904 58.703 58.100 -0.501 0.000 1.344 407 Y CB -0.597 37.651 38.460 -0.353 0.000 1.002 407 Y HN 0.714 nan 8.280 nan 0.000 0.537 408 S N -1.220 114.539 115.700 0.097 0.000 2.527 408 S HA 0.135 4.605 4.470 -0.000 0.000 0.222 408 S C 1.404 176.100 174.600 0.161 0.000 0.985 408 S CA 0.073 58.343 58.200 0.116 0.000 0.921 408 S CB -0.585 62.638 63.200 0.037 0.000 0.772 408 S HN 0.272 nan 8.310 nan 0.000 0.529 409 G N 0.824 109.719 108.800 0.159 0.000 2.554 409 G HA2 0.341 4.301 3.960 -0.000 0.000 0.238 409 G HA3 0.341 4.301 3.960 -0.000 0.000 0.238 409 G C 0.289 175.351 174.900 0.269 0.000 1.259 409 G CA -0.781 44.423 45.100 0.175 0.000 0.843 409 G HN 0.494 nan 8.290 nan 0.000 0.582 410 R N 0.028 120.643 120.500 0.192 0.000 2.543 410 R HA 0.145 4.485 4.340 -0.000 0.000 0.323 410 R C -0.877 175.442 176.300 0.031 0.000 1.002 410 R CA -0.286 55.925 56.100 0.185 0.000 1.106 410 R CB 0.663 31.232 30.300 0.449 0.000 1.280 410 R HN 0.553 nan 8.270 nan 0.000 0.549 411 Y N 0.788 120.981 120.300 -0.178 0.000 2.331 411 Y HA 0.487 5.037 4.550 -0.000 0.000 0.334 411 Y C -0.897 174.883 175.900 -0.201 0.000 0.960 411 Y CA -1.198 56.720 58.100 -0.304 0.000 1.130 411 Y CB 0.878 39.053 38.460 -0.473 0.000 1.164 411 Y HN -0.140 nan 8.280 nan 0.000 0.458 412 I N 6.149 126.203 120.570 -0.860 0.000 2.493 412 I HA 0.513 4.683 4.170 -0.000 0.000 0.298 412 I C -0.578 175.178 176.117 -0.601 0.000 0.998 412 I CA -0.975 59.953 61.300 -0.619 0.000 1.137 412 I CB 1.618 39.099 38.000 -0.865 0.000 1.310 412 I HN 0.463 nan 8.210 nan 0.000 0.445 413 R N 5.489 125.803 120.500 -0.310 0.000 2.278 413 R HA 0.257 4.597 4.340 -0.000 0.000 0.322 413 R C -0.477 175.725 176.300 -0.162 0.000 1.058 413 R CA -0.504 55.524 56.100 -0.119 0.000 0.991 413 R CB 0.370 30.660 30.300 -0.016 0.000 1.140 413 R HN 0.640 nan 8.270 nan 0.000 0.518 414 Y N 1.515 121.741 120.300 -0.123 0.000 2.509 414 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 414 Y C 1.824 177.665 175.900 -0.098 0.000 1.133 414 Y CA 1.311 59.341 58.100 -0.115 0.000 1.283 414 Y CB 0.200 38.574 38.460 -0.144 0.000 1.001 414 Y HN 0.958 nan 8.280 nan 0.000 0.555 415 G N 0.647 109.470 108.800 0.039 0.000 2.693 415 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.226 415 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.226 415 G C -0.635 174.251 174.900 -0.023 0.000 1.354 415 G CA -0.369 44.718 45.100 -0.020 0.000 0.873 415 G HN 0.089 nan 8.290 nan 0.000 0.562 416 I N 1.484 122.021 120.570 -0.055 0.000 2.325 416 I HA 0.427 4.597 4.170 -0.000 0.000 0.285 416 I C 0.944 177.028 176.117 -0.056 0.000 1.128 416 I CA 0.247 61.492 61.300 -0.091 0.000 1.261 416 I CB 0.469 38.397 38.000 -0.121 0.000 1.529 416 I HN 0.365 nan 8.210 nan 0.000 0.557 417 R N 3.051 123.536 120.500 -0.025 0.000 2.644 417 R HA 0.234 4.574 4.340 -0.000 0.000 0.271 417 R C 0.375 176.689 176.300 0.024 0.000 1.687 417 R CA -0.201 55.908 56.100 0.015 0.000 1.655 417 R CB 0.766 31.083 30.300 0.028 0.000 1.285 417 R HN 0.274 nan 8.270 nan 0.000 0.643 418 E N -0.241 120.002 120.200 0.071 0.000 2.076 418 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 418 E C 1.391 178.154 176.600 0.272 0.000 0.979 418 E CA 1.125 57.614 56.400 0.147 0.000 0.807 418 E CB 0.015 29.846 29.700 0.218 0.000 0.761 418 E HN 0.506 nan 8.360 nan 0.000 0.454 419 H N -0.358 118.816 119.070 0.174 0.000 2.321 419 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 419 H C 1.952 177.325 175.328 0.076 0.000 1.087 419 H CA 1.002 57.144 56.048 0.155 0.000 1.319 419 H CB 0.138 29.975 29.762 0.125 0.000 1.379 419 H HN 0.240 nan 8.280 nan 0.000 0.501 420 A N 0.850 123.736 122.820 0.109 0.000 1.902 420 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 420 A C 2.441 179.993 177.584 -0.054 0.000 1.181 420 A CA 1.587 53.624 52.037 0.001 0.000 0.623 420 A CB -0.788 18.213 19.000 0.002 0.000 0.818 420 A HN 0.611 nan 8.150 nan 0.000 0.443 421 M N -0.041 119.452 119.600 -0.179 0.000 2.144 421 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 421 M C 1.960 177.993 176.300 -0.445 0.000 1.067 421 M CA 2.004 56.936 55.300 -0.613 0.000 1.095 421 M CB -0.420 31.604 32.600 -0.960 0.000 1.365 421 M HN 0.383 nan 8.290 nan 0.000 0.406 422 G N -0.519 108.203 108.800 -0.130 0.000 2.433 422 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 422 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 422 G C 1.476 176.377 174.900 0.002 0.000 1.186 422 G CA 0.860 45.995 45.100 0.058 0.000 0.779 422 G HN 0.634 nan 8.290 nan 0.000 0.543 423 A N 0.218 123.051 122.820 0.021 0.000 1.969 423 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 423 A C 2.380 179.906 177.584 -0.097 0.000 1.169 423 A CA 1.016 53.035 52.037 -0.030 0.000 0.635 423 A CB -0.257 18.722 19.000 -0.034 0.000 0.810 423 A HN 0.383 nan 8.150 nan 0.000 0.445 424 I N -0.743 119.767 120.570 -0.101 0.000 2.233 424 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 424 I C 2.553 178.572 176.117 -0.164 0.000 1.093 424 I CA 1.157 62.396 61.300 -0.102 0.000 1.380 424 I CB -0.226 37.781 38.000 0.012 0.000 1.067 424 I HN 0.288 nan 8.210 nan 0.000 0.413 425 M N 0.160 119.630 119.600 -0.216 0.000 2.358 425 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 425 M C 1.546 177.708 176.300 -0.231 0.000 1.064 425 M CA 1.257 56.412 55.300 -0.242 0.000 1.093 425 M CB -0.592 31.806 32.600 -0.337 0.000 1.401 425 M HN 0.272 nan 8.290 nan 0.000 0.440 426 N N 0.417 118.970 118.700 -0.246 0.000 2.354 426 N HA -0.020 4.720 4.740 -0.000 0.000 0.179 426 N C 1.794 177.014 175.510 -0.483 0.000 1.021 426 N CA 1.226 54.030 53.050 -0.411 0.000 0.887 426 N CB -0.395 37.878 38.487 -0.357 0.000 0.974 426 N HN 0.397 nan 8.380 nan 0.000 0.437 427 G N 0.859 109.484 108.800 -0.292 0.000 2.396 427 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.214 427 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.214 427 G C 1.623 176.413 174.900 -0.182 0.000 1.166 427 G CA 0.139 45.109 45.100 -0.217 0.000 0.793 427 G HN 0.213 nan 8.290 nan 0.000 0.533 428 I N 0.676 121.108 120.570 -0.230 0.000 2.179 428 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 428 I C 2.987 179.047 176.117 -0.096 0.000 1.088 428 I CA 1.200 62.333 61.300 -0.279 0.000 1.357 428 I CB -0.321 37.453 38.000 -0.377 0.000 1.051 428 I HN 0.190 nan 8.210 nan 0.000 0.409 429 S N 0.517 116.168 115.700 -0.082 0.000 2.359 429 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 429 S C 2.142 176.793 174.600 0.085 0.000 1.035 429 S CA 1.493 59.711 58.200 0.029 0.000 1.018 429 S CB -0.274 62.913 63.200 -0.021 0.000 0.876 429 S HN 0.500 nan 8.310 nan 0.000 0.448 430 A N -0.139 122.657 122.820 -0.040 0.000 2.178 430 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 430 A C 1.749 179.437 177.584 0.174 0.000 1.157 430 A CA 1.098 53.187 52.037 0.086 0.000 0.689 430 A CB -0.790 18.157 19.000 -0.088 0.000 0.787 430 A HN 0.675 nan 8.150 nan 0.000 0.465 431 F N -0.162 119.801 119.950 0.021 0.000 2.234 431 F HA 0.347 4.874 4.527 -0.000 0.000 0.296 431 F C 1.291 177.136 175.800 0.076 0.000 1.089 431 F CA 1.363 59.376 58.000 0.021 0.000 1.343 431 F CB -0.025 38.953 39.000 -0.036 0.000 1.040 431 F HN 0.500 nan 8.300 nan 0.000 0.498 432 G N -0.761 108.100 108.800 0.102 0.000 2.297 432 G HA2 0.316 4.276 3.960 -0.000 0.000 0.209 432 G HA3 0.316 4.276 3.960 -0.000 0.000 0.209 432 G C 0.423 175.362 174.900 0.065 0.000 1.267 432 G CA 0.019 45.091 45.100 -0.047 0.000 1.127 432 G HN 1.175 nan 8.290 nan 0.000 0.498 433 A N -1.013 121.733 122.820 -0.123 0.000 2.774 433 A HA -0.070 4.250 4.320 -0.000 0.000 0.290 433 A C 1.447 178.857 177.584 -0.290 0.000 1.484 433 A CA 2.292 54.194 52.037 -0.226 0.000 0.863 433 A CB -1.825 17.010 19.000 -0.276 0.000 0.989 433 A HN 2.891 nan 8.150 nan 0.000 0.554 434 N N -3.772 114.847 118.700 -0.134 0.000 2.747 434 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 434 N C -0.395 175.071 175.510 -0.072 0.000 1.107 434 N CA 1.414 54.413 53.050 -0.086 0.000 0.707 434 N CB -2.003 36.422 38.487 -0.103 0.000 1.054 434 N HN 0.746 nan 8.380 nan 0.000 0.555 435 Y N 0.524 120.842 120.300 0.031 0.000 2.717 435 Y HA 0.077 4.627 4.550 -0.000 0.000 0.330 435 Y C 1.163 177.059 175.900 -0.008 0.000 1.217 435 Y CA 0.368 58.477 58.100 0.015 0.000 1.506 435 Y CB 0.633 39.115 38.460 0.037 0.000 1.268 435 Y HN -0.070 nan 8.280 nan 0.000 0.561 436 K N 5.652 126.161 120.400 0.182 0.000 2.682 436 K HA 0.272 4.592 4.320 -0.000 0.000 0.189 436 K C -2.890 173.758 176.600 0.080 0.000 1.062 436 K CA -1.813 54.531 56.287 0.095 0.000 0.997 436 K CB 0.698 33.225 32.500 0.045 0.000 1.405 436 K HN 0.382 nan 8.250 nan 0.000 0.588 437 P HA 0.116 nan 4.420 nan 0.000 0.275 437 P C -0.871 176.411 177.300 -0.031 0.000 1.227 437 P CA -0.164 62.883 63.100 -0.087 0.000 0.781 437 P CB 0.373 31.982 31.700 -0.152 0.000 0.906 438 Y N -0.636 119.621 120.300 -0.071 0.000 2.524 438 Y HA 0.809 5.359 4.550 -0.000 0.000 0.347 438 Y C -0.601 175.196 175.900 -0.173 0.000 1.005 438 Y CA -1.562 56.482 58.100 -0.094 0.000 1.025 438 Y CB 1.134 39.624 38.460 0.050 0.000 1.275 438 Y HN 0.554 nan 8.280 nan 0.000 0.460 439 G N 0.283 109.037 108.800 -0.077 0.000 2.591 439 G HA2 0.573 4.533 3.960 -0.000 0.000 0.306 439 G HA3 0.573 4.533 3.960 -0.000 0.000 0.306 439 G C -1.043 173.842 174.900 -0.025 0.000 1.334 439 G CA -0.756 44.218 45.100 -0.209 0.000 0.981 439 G HN 1.076 nan 8.290 nan 0.000 0.491 440 G N -0.679 108.169 108.800 0.080 0.000 2.389 440 G HA2 0.675 4.635 3.960 -0.000 0.000 0.328 440 G HA3 0.675 4.635 3.960 -0.000 0.000 0.328 440 G C -0.549 174.411 174.900 0.100 0.000 1.133 440 G CA -0.116 45.074 45.100 0.149 0.000 0.891 440 G HN 0.838 nan 8.290 nan 0.000 0.485 441 T N -0.625 114.025 114.554 0.161 0.000 2.658 441 T HA 0.493 4.843 4.350 -0.000 0.000 0.306 441 T C -1.596 173.220 174.700 0.193 0.000 1.544 441 T CA -0.556 61.601 62.100 0.096 0.000 0.991 441 T CB 0.556 69.554 68.868 0.218 0.000 1.774 441 T HN 0.175 nan 8.240 nan 0.000 0.479 442 F N 2.639 122.688 119.950 0.165 0.000 2.396 442 F HA 0.400 4.927 4.527 -0.000 0.000 0.343 442 F C 1.261 177.111 175.800 0.082 0.000 1.104 442 F CA -1.460 56.610 58.000 0.116 0.000 1.161 442 F CB 0.910 40.011 39.000 0.168 0.000 1.146 442 F HN 0.454 nan 8.300 nan 0.000 0.522 443 L N 3.328 124.695 121.223 0.240 0.000 2.051 443 L HA -0.301 4.039 4.340 -0.000 0.000 0.214 443 L C 1.949 178.822 176.870 0.005 0.000 1.076 443 L CA 1.909 56.809 54.840 0.100 0.000 0.758 443 L CB -1.108 40.990 42.059 0.064 0.000 0.890 443 L HN 0.705 nan 8.230 nan 0.000 0.433 444 N N -1.397 117.212 118.700 -0.152 0.000 2.364 444 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 444 N C 1.126 176.361 175.510 -0.458 0.000 1.022 444 N CA 1.140 53.949 53.050 -0.403 0.000 0.883 444 N CB -0.130 37.909 38.487 -0.747 0.000 0.965 444 N HN 0.416 nan 8.380 nan 0.000 0.438 445 F N -1.261 118.751 119.950 0.103 0.000 2.695 445 F HA 0.279 4.806 4.527 -0.000 0.000 0.303 445 F C 1.735 177.595 175.800 0.100 0.000 1.091 445 F CA -0.259 57.794 58.000 0.088 0.000 1.300 445 F CB -0.185 38.763 39.000 -0.088 0.000 1.071 445 F HN -0.159 nan 8.300 nan 0.000 0.578 446 V N -0.482 119.507 119.914 0.124 0.000 2.453 446 V HA -0.307 3.813 4.120 -0.000 0.000 0.252 446 V C 2.190 178.276 176.094 -0.012 0.000 1.068 446 V CA 2.265 64.451 62.300 -0.191 0.000 1.070 446 V CB -0.953 30.595 31.823 -0.458 0.000 0.664 446 V HN 0.340 nan 8.190 nan 0.000 0.461 447 S N -1.190 114.622 115.700 0.188 0.000 2.402 447 S HA -0.259 4.211 4.470 -0.000 0.000 0.233 447 S C 1.799 176.481 174.600 0.137 0.000 1.030 447 S CA 1.662 59.978 58.200 0.194 0.000 1.003 447 S CB -0.519 62.761 63.200 0.133 0.000 0.813 447 S HN 0.629 nan 8.310 nan 0.000 0.477 448 Y N 1.302 121.640 120.300 0.064 0.000 2.333 448 Y HA -0.014 4.536 4.550 -0.000 0.000 0.290 448 Y C 2.213 178.043 175.900 -0.116 0.000 1.144 448 Y CA 0.632 58.753 58.100 0.035 0.000 1.228 448 Y CB -0.293 38.235 38.460 0.112 0.000 0.985 448 Y HN 0.309 nan 8.280 nan 0.000 0.542 449 A N -1.204 121.613 122.820 -0.004 0.000 2.500 449 A HA 0.540 4.860 4.320 -0.000 0.000 0.267 449 A C 2.006 179.455 177.584 -0.226 0.000 1.290 449 A CA 0.511 52.462 52.037 -0.144 0.000 0.928 449 A CB -0.743 18.371 19.000 0.190 0.000 1.066 449 A HN 0.271 nan 8.150 nan 0.000 0.516 450 A N 0.020 122.731 122.820 -0.181 0.000 1.933 450 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 450 A C 2.281 179.858 177.584 -0.012 0.000 1.175 450 A CA 1.832 53.878 52.037 0.015 0.000 0.628 450 A CB -1.093 17.985 19.000 0.129 0.000 0.814 450 A HN 0.793 nan 8.150 nan 0.000 0.444 451 G N -0.503 108.231 108.800 -0.109 0.000 2.469 451 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.220 451 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.220 451 G C 1.652 176.703 174.900 0.251 0.000 1.136 451 G CA 1.605 46.810 45.100 0.174 0.000 0.759 451 G HN 0.830 nan 8.290 nan 0.000 0.562 452 A N -0.298 122.704 122.820 0.303 0.000 1.903 452 A HA 0.297 4.617 4.320 -0.000 0.000 0.213 452 A C 2.525 180.218 177.584 0.182 0.000 1.185 452 A CA 1.329 53.526 52.037 0.265 0.000 0.628 452 A CB -0.333 18.883 19.000 0.359 0.000 0.830 452 A HN 0.217 nan 8.150 nan 0.000 0.446 453 V N 0.303 120.289 119.914 0.120 0.000 2.515 453 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 453 V C 2.586 178.706 176.094 0.043 0.000 1.058 453 V CA 2.125 64.443 62.300 0.030 0.000 1.064 453 V CB -0.819 30.847 31.823 -0.261 0.000 0.675 453 V HN 0.638 nan 8.190 nan 0.000 0.461 454 R N -0.093 120.456 120.500 0.082 0.000 2.081 454 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 454 R C 2.193 178.541 176.300 0.080 0.000 1.131 454 R CA 1.599 57.749 56.100 0.083 0.000 0.960 454 R CB -0.208 30.147 30.300 0.093 0.000 0.856 454 R HN 0.444 nan 8.270 nan 0.000 0.436 455 L N 0.122 121.405 121.223 0.100 0.000 2.240 455 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 455 L C 2.277 179.219 176.870 0.120 0.000 1.106 455 L CA 0.658 55.561 54.840 0.104 0.000 0.793 455 L CB -0.124 42.005 42.059 0.117 0.000 0.927 455 L HN 0.209 nan 8.230 nan 0.000 0.446 456 S N 0.435 116.215 115.700 0.133 0.000 2.370 456 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 456 S C 2.166 176.804 174.600 0.064 0.000 1.033 456 S CA 1.412 59.702 58.200 0.150 0.000 1.011 456 S CB -0.200 63.081 63.200 0.135 0.000 0.852 456 S HN 0.530 nan 8.310 nan 0.000 0.457 457 A N 1.080 123.924 122.820 0.040 0.000 1.903 457 A HA 0.145 4.464 4.320 -0.000 0.000 0.213 457 A C 2.080 179.682 177.584 0.030 0.000 1.185 457 A CA 0.864 52.913 52.037 0.019 0.000 0.628 457 A CB -0.623 18.386 19.000 0.015 0.000 0.830 457 A HN 0.389 nan 8.150 nan 0.000 0.446 458 L N 0.191 121.439 121.223 0.041 0.000 2.017 458 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 458 L C 2.318 179.212 176.870 0.039 0.000 1.073 458 L CA 2.798 57.669 54.840 0.051 0.000 0.745 458 L CB -0.621 41.477 42.059 0.065 0.000 0.894 458 L HN 0.263 nan 8.230 nan 0.000 0.432 459 S N -0.457 115.227 115.700 -0.025 0.000 2.446 459 S HA 0.258 4.728 4.470 -0.000 0.000 0.225 459 S C 1.229 175.741 174.600 -0.146 0.000 1.016 459 S CA 0.607 58.741 58.200 -0.111 0.000 0.943 459 S CB -0.260 62.643 63.200 -0.495 0.000 0.786 459 S HN 0.810 nan 8.310 nan 0.000 0.508 460 G N 2.348 111.069 108.800 -0.132 0.000 2.325 460 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.248 460 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.248 460 G C -0.480 174.394 174.900 -0.044 0.000 1.108 460 G CA -0.538 44.559 45.100 -0.005 0.000 0.881 460 G HN 0.536 nan 8.290 nan 0.000 0.494 461 H N 0.346 119.401 119.070 -0.025 0.000 2.705 461 H HA 0.279 4.835 4.556 -0.000 0.000 0.291 461 H C -1.992 173.333 175.328 -0.006 0.000 1.085 461 H CA -1.608 54.402 56.048 -0.064 0.000 1.357 461 H CB 1.789 31.454 29.762 -0.161 0.000 1.419 461 H HN 0.174 nan 8.280 nan 0.000 0.462 462 P HA -0.045 nan 4.420 nan 0.000 0.232 462 P C 0.378 177.718 177.300 0.067 0.000 1.738 462 P CA -0.164 62.979 63.100 0.072 0.000 0.948 462 P CB -0.612 31.115 31.700 0.046 0.000 1.943 463 V N -0.945 119.009 119.914 0.067 0.000 2.811 463 V HA 0.274 4.394 4.120 -0.000 0.000 0.302 463 V C 0.349 176.483 176.094 0.065 0.000 1.063 463 V CA -0.393 61.925 62.300 0.030 0.000 1.088 463 V CB 0.480 32.290 31.823 -0.021 0.000 0.982 463 V HN 0.017 nan 8.190 nan 0.000 0.485 464 I N 3.165 123.766 120.570 0.051 0.000 2.378 464 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 464 I C -0.903 175.262 176.117 0.080 0.000 0.992 464 I CA -0.162 61.200 61.300 0.104 0.000 1.154 464 I CB 1.631 39.710 38.000 0.131 0.000 1.315 464 I HN 0.686 nan 8.210 nan 0.000 0.448 465 W N 5.731 127.017 121.300 -0.022 0.000 2.349 465 W HA 0.461 5.121 4.660 -0.000 0.000 0.309 465 W C -0.483 176.034 176.519 -0.004 0.000 1.083 465 W CA -0.557 56.774 57.345 -0.022 0.000 1.224 465 W CB 1.434 30.839 29.460 -0.091 0.000 1.256 465 W HN 0.064 nan 8.180 nan 0.000 0.461 466 V N 4.589 124.654 119.914 0.251 0.000 2.304 466 V HA 0.448 4.568 4.120 -0.000 0.000 0.262 466 V C 0.324 176.556 176.094 0.230 0.000 1.061 466 V CA -0.828 61.579 62.300 0.177 0.000 0.872 466 V CB 0.152 32.058 31.823 0.139 0.000 1.077 466 V HN 0.608 nan 8.190 nan 0.000 0.480 467 A N 4.174 127.118 122.820 0.207 0.000 2.690 467 A HA 0.612 4.932 4.320 -0.000 0.000 0.342 467 A C 0.770 178.488 177.584 0.223 0.000 1.410 467 A CA -0.380 51.788 52.037 0.219 0.000 0.958 467 A CB -0.006 19.083 19.000 0.149 0.000 1.153 467 A HN 0.796 nan 8.150 nan 0.000 0.497 468 T N -0.790 113.948 114.554 0.307 0.000 2.726 468 T HA 0.394 4.744 4.350 -0.000 0.000 0.294 468 T C 0.282 175.250 174.700 0.446 0.000 1.013 468 T CA 0.185 62.510 62.100 0.375 0.000 0.996 468 T CB -0.025 69.155 68.868 0.519 0.000 1.016 468 T HN 0.848 nan 8.240 nan 0.000 0.529 469 H N -0.075 119.058 119.070 0.103 0.000 2.819 469 H HA -0.096 4.460 4.556 -0.000 0.000 0.323 469 H C 0.731 176.030 175.328 -0.049 0.000 1.243 469 H CA 0.751 56.791 56.048 -0.012 0.000 1.163 469 H CB -1.993 27.673 29.762 -0.160 0.000 1.493 469 H HN 0.859 nan 8.280 nan 0.000 0.434 470 D N -0.958 119.476 120.400 0.057 0.000 2.263 470 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 470 D C 1.075 177.347 176.300 -0.046 0.000 0.971 470 D CA 1.254 55.262 54.000 0.013 0.000 0.867 470 D CB 0.232 41.044 40.800 0.020 0.000 0.929 470 D HN 0.543 nan 8.370 nan 0.000 0.492 471 S N -0.810 114.842 115.700 -0.080 0.000 2.776 471 S HA 0.369 4.839 4.470 -0.000 0.000 0.292 471 S C 1.324 175.795 174.600 -0.215 0.000 1.187 471 S CA -0.446 57.659 58.200 -0.158 0.000 0.834 471 S CB 0.393 63.497 63.200 -0.160 0.000 1.199 471 S HN 0.101 nan 8.310 nan 0.000 0.514 472 I N -0.878 119.486 120.570 -0.344 0.000 2.730 472 I HA 0.058 4.228 4.170 -0.000 0.000 0.266 472 I C 1.801 177.669 176.117 -0.416 0.000 1.228 472 I CA 1.618 62.684 61.300 -0.390 0.000 1.445 472 I CB -1.233 36.441 38.000 -0.545 0.000 1.102 472 I HN 0.730 nan 8.210 nan 0.000 0.464 473 G N 1.257 109.850 108.800 -0.345 0.000 2.498 473 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 473 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 473 G C 1.563 176.424 174.900 -0.066 0.000 1.119 473 G CA 0.778 45.834 45.100 -0.072 0.000 0.766 473 G HN 0.378 nan 8.290 nan 0.000 0.552 474 V N 0.908 120.763 119.914 -0.098 0.000 2.453 474 V HA 0.010 4.130 4.120 -0.000 0.000 0.252 474 V C 2.463 178.523 176.094 -0.055 0.000 1.068 474 V CA 1.811 64.072 62.300 -0.065 0.000 1.070 474 V CB -1.157 30.623 31.823 -0.072 0.000 0.664 474 V HN 0.875 nan 8.190 nan 0.000 0.461 475 G N -0.147 108.608 108.800 -0.074 0.000 2.543 475 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.286 475 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.286 475 G C 0.583 175.452 174.900 -0.052 0.000 1.153 475 G CA 0.522 45.590 45.100 -0.053 0.000 0.968 475 G HN 0.388 nan 8.290 nan 0.000 0.544 476 E N 1.282 121.456 120.200 -0.042 0.000 2.331 476 E HA 0.004 4.354 4.350 -0.000 0.000 0.199 476 E C 1.838 178.395 176.600 -0.072 0.000 1.008 476 E CA 1.254 57.625 56.400 -0.049 0.000 0.843 476 E CB -0.071 29.608 29.700 -0.035 0.000 0.761 476 E HN 0.523 nan 8.360 nan 0.000 0.507 477 D N -0.206 120.132 120.400 -0.105 0.000 2.317 477 D HA 0.012 4.652 4.640 -0.000 0.000 0.211 477 D C 1.225 177.457 176.300 -0.113 0.000 0.966 477 D CA 0.911 54.802 54.000 -0.182 0.000 0.876 477 D CB 0.091 40.655 40.800 -0.393 0.000 0.927 477 D HN 0.225 nan 8.370 nan 0.000 0.519 478 G N 1.735 110.499 108.800 -0.060 0.000 2.601 478 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 478 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 478 G C -1.564 173.352 174.900 0.027 0.000 1.289 478 G CA 0.145 45.234 45.100 -0.018 0.000 0.920 478 G HN 0.030 nan 8.290 nan 0.000 0.571 479 P HA -0.210 nan 4.420 nan 0.000 0.218 479 P C 1.842 179.151 177.300 0.015 0.000 1.150 479 P CA 3.352 66.471 63.100 0.033 0.000 0.841 479 P CB -0.609 31.087 31.700 -0.007 0.000 0.784 480 T N -4.880 109.718 114.554 0.073 0.000 3.035 480 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 480 T C 1.269 175.998 174.700 0.048 0.000 1.109 480 T CA 1.156 63.320 62.100 0.107 0.000 1.119 480 T CB -0.880 68.129 68.868 0.235 0.000 0.900 480 T HN 0.230 nan 8.240 nan 0.000 0.503 481 H N 0.139 119.169 119.070 -0.067 0.000 2.893 481 H HA 0.440 4.996 4.556 -0.000 0.000 0.270 481 H C 0.217 175.407 175.328 -0.230 0.000 1.095 481 H CA -0.423 55.523 56.048 -0.171 0.000 1.186 481 H CB 0.394 30.098 29.762 -0.097 0.000 1.562 481 H HN 0.396 nan 8.280 nan 0.000 0.536 482 Q N 1.731 121.497 119.800 -0.056 0.000 2.303 482 Q HA 0.288 4.628 4.340 -0.000 0.000 0.257 482 Q C -2.569 173.372 176.000 -0.099 0.000 0.941 482 Q CA -2.221 53.528 55.803 -0.091 0.000 0.931 482 Q CB 1.845 30.540 28.738 -0.072 0.000 1.215 482 Q HN 0.112 nan 8.270 nan 0.000 0.437 483 P HA 0.050 nan 4.420 nan 0.000 0.276 483 P C -0.332 176.910 177.300 -0.096 0.000 1.235 483 P CA -0.047 62.990 63.100 -0.105 0.000 0.772 483 P CB 0.892 32.535 31.700 -0.095 0.000 0.871 484 I N 2.320 122.846 120.570 -0.073 0.000 3.366 484 I HA 0.016 4.186 4.170 -0.000 0.000 0.267 484 I C 1.821 177.873 176.117 -0.109 0.000 1.149 484 I CA 1.117 62.349 61.300 -0.113 0.000 1.436 484 I CB -0.728 37.180 38.000 -0.154 0.000 1.379 484 I HN 0.390 nan 8.210 nan 0.000 0.460 485 E N 0.599 120.739 120.200 -0.099 0.000 2.447 485 E HA 0.015 4.365 4.350 -0.000 0.000 0.204 485 E C 1.479 178.018 176.600 -0.102 0.000 0.977 485 E CA 0.761 57.098 56.400 -0.105 0.000 0.950 485 E CB -0.628 28.998 29.700 -0.123 0.000 0.975 485 E HN 0.264 nan 8.360 nan 0.000 0.496 486 T N 2.945 117.447 114.554 -0.087 0.000 2.620 486 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 486 T C 2.072 176.737 174.700 -0.059 0.000 1.044 486 T CA 2.187 64.246 62.100 -0.068 0.000 1.161 486 T CB -0.467 68.406 68.868 0.008 0.000 0.862 486 T HN 0.122 nan 8.240 nan 0.000 0.438 487 L N 0.830 122.030 121.223 -0.039 0.000 2.017 487 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 487 L C 3.176 179.964 176.870 -0.137 0.000 1.073 487 L CA 1.280 56.079 54.840 -0.068 0.000 0.745 487 L CB -0.827 41.157 42.059 -0.124 0.000 0.894 487 L HN 0.299 nan 8.230 nan 0.000 0.432 488 A N -1.124 121.618 122.820 -0.130 0.000 2.024 488 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 488 A C 2.180 179.712 177.584 -0.086 0.000 1.164 488 A CA 1.650 53.621 52.037 -0.109 0.000 0.643 488 A CB -0.961 18.003 19.000 -0.061 0.000 0.806 488 A HN 0.579 nan 8.150 nan 0.000 0.451 489 H N -1.917 116.987 119.070 -0.277 0.000 2.261 489 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 489 H C 1.556 176.643 175.328 -0.403 0.000 1.067 489 H CA 1.787 57.581 56.048 -0.424 0.000 1.297 489 H CB -0.149 29.181 29.762 -0.720 0.000 1.377 489 H HN 0.460 nan 8.280 nan 0.000 0.492 490 F N 0.859 120.658 119.950 -0.253 0.000 2.558 490 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 490 F C 2.257 177.948 175.800 -0.182 0.000 1.119 490 F CA 0.398 58.203 58.000 -0.325 0.000 1.451 490 F CB -0.040 38.765 39.000 -0.324 0.000 1.091 490 F HN 0.119 nan 8.300 nan 0.000 0.563 491 R N -0.794 119.686 120.500 -0.034 0.000 2.323 491 R HA 0.111 4.451 4.340 -0.000 0.000 0.198 491 R C 1.140 177.460 176.300 0.032 0.000 0.988 491 R CA 0.449 56.533 56.100 -0.026 0.000 1.041 491 R CB -0.694 29.514 30.300 -0.154 0.000 0.926 491 R HN 0.137 nan 8.270 nan 0.000 0.476 492 S N 0.589 116.294 115.700 0.008 0.000 2.554 492 S HA 0.144 4.614 4.470 -0.000 0.000 0.226 492 S C 0.100 174.723 174.600 0.039 0.000 0.980 492 S CA -0.458 57.759 58.200 0.029 0.000 0.939 492 S CB 0.222 63.433 63.200 0.019 0.000 0.832 492 S HN 0.040 nan 8.310 nan 0.000 0.486 493 L N 3.412 124.658 121.223 0.039 0.000 2.289 493 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 493 L C -2.853 174.067 176.870 0.084 0.000 1.049 493 L CA -2.192 52.679 54.840 0.052 0.000 0.804 493 L CB 0.412 42.500 42.059 0.048 0.000 1.195 493 L HN -0.160 nan 8.230 nan 0.000 0.428 494 P HA 0.245 nan 4.420 nan 0.000 0.271 494 P C -0.817 176.554 177.300 0.118 0.000 1.220 494 P CA 0.199 63.374 63.100 0.125 0.000 0.768 494 P CB 0.403 32.164 31.700 0.101 0.000 0.848 495 N N 1.920 120.737 118.700 0.195 0.000 2.791 495 N HA -0.163 4.577 4.740 -0.000 0.000 0.250 495 N C -1.345 174.036 175.510 -0.215 0.000 1.082 495 N CA 0.502 53.593 53.050 0.070 0.000 0.680 495 N CB -1.600 36.945 38.487 0.097 0.000 0.918 495 N HN 0.479 nan 8.380 nan 0.000 0.555 496 I N 0.622 120.969 120.570 -0.372 0.000 2.649 496 I HA 0.239 4.408 4.170 -0.000 0.000 0.289 496 I C -0.561 175.301 176.117 -0.425 0.000 1.222 496 I CA -0.633 60.449 61.300 -0.364 0.000 1.046 496 I CB 1.355 39.261 38.000 -0.157 0.000 1.272 496 I HN 0.175 nan 8.210 nan 0.000 0.425 497 Q N 5.314 124.883 119.800 -0.385 0.000 2.332 497 Q HA 0.340 4.680 4.340 -0.000 0.000 0.263 497 Q C -0.885 175.080 176.000 -0.059 0.000 0.979 497 Q CA -0.252 55.456 55.803 -0.159 0.000 0.885 497 Q CB 1.844 30.648 28.738 0.110 0.000 1.218 497 Q HN 0.471 nan 8.270 nan 0.000 0.405 498 V N 3.423 123.279 119.914 -0.097 0.000 2.266 498 V HA 0.164 4.284 4.120 -0.000 0.000 0.266 498 V C -1.067 175.000 176.094 -0.045 0.000 1.036 498 V CA -0.722 61.540 62.300 -0.062 0.000 0.828 498 V CB -0.274 31.486 31.823 -0.104 0.000 1.081 498 V HN 0.686 nan 8.190 nan 0.000 0.449 499 W N 2.839 124.119 121.300 -0.033 0.000 2.287 499 W HA 0.502 5.162 4.660 -0.000 0.000 0.313 499 W C 0.964 177.472 176.519 -0.019 0.000 1.267 499 W CA -0.449 56.891 57.345 -0.009 0.000 1.201 499 W CB 0.664 30.113 29.460 -0.017 0.000 1.196 499 W HN 0.285 nan 8.180 nan 0.000 0.536 500 R N 5.442 126.070 120.500 0.214 0.000 2.748 500 R HA 0.228 4.568 4.340 -0.000 0.000 0.283 500 R C -2.434 173.966 176.300 0.167 0.000 1.507 500 R CA -1.672 54.511 56.100 0.139 0.000 1.666 500 R CB 0.338 30.673 30.300 0.058 0.000 1.237 500 R HN 0.147 nan 8.270 nan 0.000 0.633 501 P HA 0.008 nan 4.420 nan 0.000 0.268 501 P C -0.005 177.368 177.300 0.122 0.000 1.205 501 P CA 0.303 63.515 63.100 0.188 0.000 0.771 501 P CB 1.705 33.502 31.700 0.162 0.000 0.858 502 A N 2.684 125.576 122.820 0.121 0.000 2.147 502 A HA 0.122 4.442 4.320 -0.000 0.000 0.211 502 A C 0.665 178.279 177.584 0.051 0.000 1.160 502 A CA 0.857 52.939 52.037 0.075 0.000 0.781 502 A CB -0.302 18.741 19.000 0.071 0.000 0.842 502 A HN 0.719 nan 8.150 nan 0.000 0.475 503 D N -4.690 115.746 120.400 0.060 0.000 2.779 503 D HA 0.264 4.904 4.640 -0.000 0.000 0.331 503 D C 1.035 177.336 176.300 0.003 0.000 1.331 503 D CA 0.188 54.193 54.000 0.008 0.000 0.866 503 D CB 0.287 41.100 40.800 0.022 0.000 1.409 503 D HN -0.032 nan 8.370 nan 0.000 0.486 504 G N 0.089 108.816 108.800 -0.122 0.000 2.476 504 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 504 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 504 G C 1.107 176.160 174.900 0.255 0.000 1.164 504 G CA 1.033 46.100 45.100 -0.056 0.000 0.768 504 G HN 0.534 nan 8.290 nan 0.000 0.560 505 N N 0.753 119.612 118.700 0.264 0.000 2.223 505 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 505 N C 2.110 177.697 175.510 0.129 0.000 1.016 505 N CA 0.998 54.164 53.050 0.194 0.000 0.863 505 N CB -0.228 38.351 38.487 0.153 0.000 0.983 505 N HN 0.541 nan 8.380 nan 0.000 0.429 506 E N 0.118 120.406 120.200 0.147 0.000 2.158 506 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 506 E C 1.857 178.515 176.600 0.096 0.000 0.982 506 E CA 0.331 56.825 56.400 0.157 0.000 0.823 506 E CB 0.229 30.061 29.700 0.220 0.000 0.766 506 E HN 0.072 nan 8.360 nan 0.000 0.468 507 V N 1.002 120.975 119.914 0.099 0.000 2.307 507 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 507 V C 2.263 178.422 176.094 0.108 0.000 1.045 507 V CA 1.721 64.074 62.300 0.089 0.000 1.024 507 V CB -0.390 31.523 31.823 0.151 0.000 0.651 507 V HN 0.196 nan 8.190 nan 0.000 0.449 508 S N 0.386 116.172 115.700 0.143 0.000 2.372 508 S HA -0.291 4.179 4.470 -0.000 0.000 0.227 508 S C 2.183 176.783 174.600 0.000 0.000 1.044 508 S CA 1.749 60.014 58.200 0.109 0.000 1.050 508 S CB -0.585 62.657 63.200 0.070 0.000 0.901 508 S HN 0.678 nan 8.310 nan 0.000 0.447 509 A N 1.490 124.265 122.820 -0.075 0.000 1.898 509 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 509 A C 2.395 179.649 177.584 -0.549 0.000 1.181 509 A CA 1.719 53.648 52.037 -0.179 0.000 0.620 509 A CB -1.203 17.757 19.000 -0.067 0.000 0.819 509 A HN 0.529 nan 8.150 nan 0.000 0.442 510 A N -1.205 121.125 122.820 -0.818 0.000 1.873 510 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 510 A C 2.133 179.191 177.584 -0.876 0.000 1.193 510 A CA 1.890 53.058 52.037 -1.448 0.000 0.629 510 A CB -0.916 17.605 19.000 -0.799 0.000 0.826 510 A HN 0.578 nan 8.150 nan 0.000 0.447 511 Y N -0.164 119.937 120.300 -0.332 0.000 2.163 511 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 511 Y C 2.476 178.391 175.900 0.026 0.000 1.136 511 Y CA 1.902 59.931 58.100 -0.117 0.000 1.147 511 Y CB -0.321 38.136 38.460 -0.004 0.000 0.987 511 Y HN 0.354 nan 8.280 nan 0.000 0.509 512 K N 0.273 120.781 120.400 0.181 0.000 2.020 512 K HA -0.283 4.037 4.320 -0.000 0.000 0.212 512 K C 1.725 178.433 176.600 0.181 0.000 1.050 512 K CA 2.256 58.664 56.287 0.202 0.000 0.929 512 K CB -0.297 32.171 32.500 -0.053 0.000 0.714 512 K HN 0.271 nan 8.250 nan 0.000 0.443 513 N N -0.048 118.665 118.700 0.021 0.000 2.166 513 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 513 N C 1.674 177.270 175.510 0.144 0.000 1.019 513 N CA 1.537 54.661 53.050 0.123 0.000 0.856 513 N CB -0.037 38.603 38.487 0.255 0.000 0.993 513 N HN 0.115 nan 8.380 nan 0.000 0.426 514 S N 0.137 115.847 115.700 0.017 0.000 2.383 514 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 514 S C 1.854 176.513 174.600 0.099 0.000 1.026 514 S CA 0.670 58.901 58.200 0.051 0.000 0.981 514 S CB -0.159 62.986 63.200 -0.090 0.000 0.818 514 S HN 0.235 nan 8.310 nan 0.000 0.472 515 L N 1.054 122.363 121.223 0.145 0.000 2.179 515 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 515 L C 2.361 179.293 176.870 0.102 0.000 1.096 515 L CA 1.000 55.894 54.840 0.090 0.000 0.779 515 L CB -0.352 41.698 42.059 -0.015 0.000 0.922 515 L HN 0.291 nan 8.230 nan 0.000 0.443 516 E N -0.781 119.550 120.200 0.218 0.000 2.274 516 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 516 E C 0.976 177.643 176.600 0.112 0.000 0.996 516 E CA 0.050 56.566 56.400 0.194 0.000 0.840 516 E CB 0.109 29.954 29.700 0.241 0.000 0.772 516 E HN 0.164 nan 8.360 nan 0.000 0.491 517 S N 0.728 116.494 115.700 0.109 0.000 2.596 517 S HA -0.064 4.406 4.470 -0.000 0.000 0.298 517 S C 0.700 175.292 174.600 -0.014 0.000 1.255 517 S CA 0.231 58.476 58.200 0.075 0.000 1.083 517 S CB 0.346 63.602 63.200 0.094 0.000 0.837 517 S HN 0.108 nan 8.310 nan 0.000 0.499 518 K N 2.998 123.319 120.400 -0.131 0.000 2.367 518 K HA 0.164 4.484 4.320 -0.000 0.000 0.194 518 K C 0.576 176.836 176.600 -0.567 0.000 1.027 518 K CA 0.245 56.304 56.287 -0.379 0.000 1.075 518 K CB 0.262 32.429 32.500 -0.555 0.000 0.845 518 K HN 0.645 nan 8.250 nan 0.000 0.529 519 H N -1.388 117.742 119.070 0.101 0.000 3.650 519 H HA 0.180 4.736 4.556 -0.000 0.000 0.260 519 H C -0.424 174.936 175.328 0.053 0.000 1.194 519 H CA 0.046 56.148 56.048 0.090 0.000 1.135 519 H CB 1.338 31.162 29.762 0.103 0.000 1.612 519 H HN -0.140 nan 8.280 nan 0.000 0.703 520 T N 4.997 119.607 114.554 0.094 0.000 2.840 520 T HA 0.273 4.623 4.350 -0.000 0.000 0.287 520 T C -2.512 172.167 174.700 -0.036 0.000 0.991 520 T CA -1.256 60.832 62.100 -0.020 0.000 0.964 520 T CB 3.034 71.822 68.868 -0.133 0.000 0.954 520 T HN -0.021 nan 8.240 nan 0.000 0.438 521 P HA 0.174 nan 4.420 nan 0.000 0.273 521 P C -0.371 176.918 177.300 -0.018 0.000 1.252 521 P CA -0.200 62.903 63.100 0.006 0.000 0.809 521 P CB 0.607 32.323 31.700 0.027 0.000 1.017 522 S N -0.923 114.804 115.700 0.045 0.000 2.537 522 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 522 S C -1.406 173.243 174.600 0.081 0.000 1.148 522 S CA -0.757 57.485 58.200 0.069 0.000 0.868 522 S CB 0.519 63.791 63.200 0.119 0.000 1.115 522 S HN 0.267 nan 8.310 nan 0.000 0.461 523 I N 4.087 124.684 120.570 0.044 0.000 2.447 523 I HA 0.485 4.655 4.170 -0.000 0.000 0.287 523 I C -0.946 175.212 176.117 0.068 0.000 1.023 523 I CA -0.607 60.697 61.300 0.006 0.000 1.083 523 I CB 1.707 39.588 38.000 -0.199 0.000 1.245 523 I HN 0.565 nan 8.210 nan 0.000 0.434 524 I N 5.939 126.545 120.570 0.059 0.000 2.355 524 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 524 I C 0.390 176.548 176.117 0.068 0.000 0.999 524 I CA -0.499 60.831 61.300 0.050 0.000 1.163 524 I CB 1.708 39.640 38.000 -0.112 0.000 1.316 524 I HN 0.560 nan 8.210 nan 0.000 0.454 525 A N 8.202 131.070 122.820 0.079 0.000 2.320 525 A HA 0.785 5.105 4.320 -0.000 0.000 0.287 525 A C -0.594 177.040 177.584 0.082 0.000 1.181 525 A CA -0.126 51.957 52.037 0.076 0.000 0.831 525 A CB 0.327 19.358 19.000 0.053 0.000 1.102 525 A HN 0.700 nan 8.150 nan 0.000 0.513 526 L N 1.874 123.154 121.223 0.096 0.000 2.371 526 L HA 0.525 4.865 4.340 -0.000 0.000 0.262 526 L C 0.507 177.412 176.870 0.058 0.000 1.006 526 L CA -0.613 54.279 54.840 0.086 0.000 0.818 526 L CB 2.515 44.641 42.059 0.112 0.000 1.354 526 L HN 0.760 nan 8.230 nan 0.000 0.415 527 S N 0.602 116.319 115.700 0.028 0.000 2.537 527 S HA 0.346 4.816 4.470 -0.000 0.000 0.275 527 S C 0.764 175.320 174.600 -0.073 0.000 1.272 527 S CA -0.633 57.559 58.200 -0.014 0.000 1.050 527 S CB 1.669 64.869 63.200 -0.000 0.000 0.961 527 S HN 0.750 nan 8.310 nan 0.000 0.496 528 R N 1.427 121.811 120.500 -0.193 0.000 2.075 528 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 528 R C 1.064 177.286 176.300 -0.129 0.000 1.126 528 R CA 1.097 57.002 56.100 -0.325 0.000 0.963 528 R CB -0.090 29.902 30.300 -0.513 0.000 0.858 528 R HN 0.912 nan 8.270 nan 0.000 0.435 529 Q N 1.102 120.862 119.800 -0.065 0.000 2.212 529 Q HA 0.106 4.446 4.340 -0.000 0.000 0.238 529 Q C -1.116 174.876 176.000 -0.014 0.000 0.955 529 Q CA -0.508 55.285 55.803 -0.017 0.000 0.906 529 Q CB 0.578 29.333 28.738 0.028 0.000 1.215 529 Q HN -0.043 nan 8.270 nan 0.000 0.478 530 N N 1.409 120.102 118.700 -0.012 0.000 2.475 530 N HA 0.279 5.019 4.740 -0.000 0.000 0.267 530 N C -0.568 174.925 175.510 -0.029 0.000 1.169 530 N CA 0.102 53.140 53.050 -0.020 0.000 0.947 530 N CB 0.390 38.867 38.487 -0.016 0.000 1.061 530 N HN 0.446 nan 8.380 nan 0.000 0.466 531 L N 3.621 124.823 121.223 -0.034 0.000 2.330 531 L HA 0.633 4.973 4.340 -0.000 0.000 0.271 531 L C -2.030 174.815 176.870 -0.042 0.000 1.013 531 L CA -1.853 52.964 54.840 -0.038 0.000 0.816 531 L CB 2.209 44.250 42.059 -0.030 0.000 1.287 531 L HN 0.285 nan 8.230 nan 0.000 0.435 532 P HA 0.194 nan 4.420 nan 0.000 0.287 532 P C -1.548 175.732 177.300 -0.032 0.000 1.296 532 P CA -0.702 62.379 63.100 -0.033 0.000 0.811 532 P CB 0.874 32.563 31.700 -0.019 0.000 1.211 533 Q N 0.369 120.154 119.800 -0.024 0.000 2.322 533 Q HA 0.377 4.717 4.340 -0.000 0.000 0.256 533 Q C 0.061 176.079 176.000 0.029 0.000 0.960 533 Q CA -0.359 55.441 55.803 -0.005 0.000 0.934 533 Q CB 0.232 28.977 28.738 0.010 0.000 1.200 533 Q HN 0.410 nan 8.270 nan 0.000 0.435 534 L N 1.406 122.656 121.223 0.046 0.000 2.467 534 L HA 0.113 4.453 4.340 -0.000 0.000 0.270 534 L C 0.806 177.718 176.870 0.070 0.000 1.205 534 L CA -0.274 54.600 54.840 0.056 0.000 0.828 534 L CB 0.271 42.375 42.059 0.074 0.000 1.101 534 L HN 0.428 nan 8.230 nan 0.000 0.479 535 E N 0.927 121.164 120.200 0.061 0.000 2.115 535 E HA 0.434 4.784 4.350 -0.000 0.000 0.282 535 E C 0.448 177.101 176.600 0.087 0.000 0.987 535 E CA 0.311 56.751 56.400 0.067 0.000 0.797 535 E CB 0.949 30.678 29.700 0.050 0.000 1.086 535 E HN 0.665 nan 8.360 nan 0.000 0.397 536 G N 3.018 111.885 108.800 0.112 0.000 2.260 536 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.179 536 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.179 536 G C 0.181 175.232 174.900 0.251 0.000 1.002 536 G CA 0.091 45.285 45.100 0.156 0.000 0.677 536 G HN 0.774 nan 8.290 nan 0.000 0.486 537 S N 0.139 115.976 115.700 0.229 0.000 2.652 537 S HA 0.872 5.342 4.470 -0.000 0.000 0.270 537 S C 0.133 174.780 174.600 0.078 0.000 1.243 537 S CA 0.654 59.002 58.200 0.246 0.000 0.999 537 S CB 2.155 65.510 63.200 0.260 0.000 0.973 537 S HN 2.063 nan 8.310 nan 0.000 0.544 538 S N -0.159 115.517 115.700 -0.041 0.000 2.615 538 S HA 0.415 4.885 4.470 -0.000 0.000 0.268 538 S C 0.382 174.925 174.600 -0.095 0.000 1.146 538 S CA -0.980 57.190 58.200 -0.050 0.000 0.818 538 S CB -0.171 62.991 63.200 -0.064 0.000 1.111 538 S HN 0.599 nan 8.310 nan 0.000 0.465 539 I N 1.150 121.684 120.570 -0.060 0.000 2.252 539 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 539 I C 2.327 178.397 176.117 -0.079 0.000 1.102 539 I CA 1.442 62.707 61.300 -0.058 0.000 1.385 539 I CB -0.658 37.306 38.000 -0.061 0.000 1.064 539 I HN 0.714 nan 8.210 nan 0.000 0.414 540 E N 1.421 121.567 120.200 -0.091 0.000 2.017 540 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 540 E C 2.269 178.799 176.600 -0.116 0.000 0.997 540 E CA 1.800 58.149 56.400 -0.085 0.000 0.804 540 E CB -0.520 29.137 29.700 -0.071 0.000 0.757 540 E HN 0.308 nan 8.360 nan 0.000 0.448 541 S N 1.072 116.648 115.700 -0.206 0.000 2.359 541 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 541 S C 2.194 176.540 174.600 -0.423 0.000 1.035 541 S CA 1.185 59.177 58.200 -0.346 0.000 1.018 541 S CB -0.616 62.192 63.200 -0.653 0.000 0.876 541 S HN 0.420 nan 8.310 nan 0.000 0.448 542 A N 1.316 123.866 122.820 -0.450 0.000 2.019 542 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 542 A C 2.262 179.990 177.584 0.239 0.000 1.164 542 A CA 1.538 53.529 52.037 -0.077 0.000 0.644 542 A CB -0.756 18.278 19.000 0.055 0.000 0.805 542 A HN 0.422 nan 8.150 nan 0.000 0.449 543 S N -0.443 115.346 115.700 0.148 0.000 2.474 543 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 543 S C 1.647 176.396 174.600 0.248 0.000 0.997 543 S CA 1.392 59.742 58.200 0.249 0.000 0.949 543 S CB -0.146 63.112 63.200 0.096 0.000 0.766 543 S HN 0.655 nan 8.310 nan 0.000 0.517 544 K N 0.191 120.682 120.400 0.151 0.000 2.459 544 K HA 0.167 4.487 4.320 -0.000 0.000 0.193 544 K C 1.621 178.381 176.600 0.267 0.000 1.030 544 K CA 0.522 56.881 56.287 0.119 0.000 1.026 544 K CB -0.026 32.444 32.500 -0.051 0.000 0.809 544 K HN 0.376 nan 8.250 nan 0.000 0.504 545 G N 0.484 109.449 108.800 0.275 0.000 2.363 545 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.238 545 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.238 545 G C 0.338 175.328 174.900 0.150 0.000 1.062 545 G CA -0.082 45.099 45.100 0.134 0.000 0.629 545 G HN 0.533 nan 8.290 nan 0.000 0.514 546 G N -0.250 108.730 108.800 0.299 0.000 2.707 546 G HA2 0.843 4.803 3.960 -0.000 0.000 0.299 546 G HA3 0.843 4.803 3.960 -0.000 0.000 0.299 546 G C -0.856 174.229 174.900 0.308 0.000 1.442 546 G CA 0.114 45.134 45.100 -0.134 0.000 1.009 546 G HN 1.503 nan 8.290 nan 0.000 0.515 547 Y N -0.349 119.964 120.300 0.021 0.000 2.655 547 Y HA 0.722 5.272 4.550 -0.000 0.000 0.336 547 Y C -1.039 174.874 175.900 0.022 0.000 1.154 547 Y CA -1.837 56.331 58.100 0.113 0.000 1.055 547 Y CB 1.225 39.796 38.460 0.184 0.000 1.295 547 Y HN 0.353 nan 8.280 nan 0.000 0.465 548 V N 3.756 123.746 119.914 0.127 0.000 2.372 548 V HA 0.068 4.188 4.120 -0.000 0.000 0.261 548 V C 0.784 176.905 176.094 0.045 0.000 1.055 548 V CA -0.019 62.285 62.300 0.007 0.000 0.930 548 V CB 0.437 32.287 31.823 0.045 0.000 1.031 548 V HN 0.921 nan 8.190 nan 0.000 0.479 549 L N 4.931 126.069 121.223 -0.143 0.000 2.095 549 L HA 0.090 4.430 4.340 -0.000 0.000 0.204 549 L C 0.964 177.858 176.870 0.039 0.000 1.080 549 L CA 1.753 56.573 54.840 -0.034 0.000 0.759 549 L CB 0.168 42.140 42.059 -0.145 0.000 0.914 549 L HN 0.703 nan 8.230 nan 0.000 0.439 550 Q N -0.653 119.148 119.800 0.002 0.000 2.331 550 Q HA 0.366 4.706 4.340 -0.000 0.000 0.272 550 Q C -1.526 174.480 176.000 0.011 0.000 1.062 550 Q CA -0.712 55.103 55.803 0.019 0.000 0.806 550 Q CB 2.373 31.118 28.738 0.011 0.000 1.312 550 Q HN -0.033 nan 8.270 nan 0.000 0.431 551 D N 1.116 121.529 120.400 0.021 0.000 2.419 551 D HA 0.674 5.314 4.640 -0.000 0.000 0.234 551 D C -1.300 175.009 176.300 0.015 0.000 1.014 551 D CA -0.641 53.369 54.000 0.016 0.000 0.919 551 D CB 2.309 43.124 40.800 0.025 0.000 1.366 551 D HN 0.362 nan 8.370 nan 0.000 0.490 552 V N -1.391 118.530 119.914 0.012 0.000 3.078 552 V HA 0.911 5.031 4.120 -0.000 0.000 0.311 552 V C -0.520 175.580 176.094 0.011 0.000 1.138 552 V CA -1.248 61.058 62.300 0.011 0.000 1.007 552 V CB 1.232 33.060 31.823 0.008 0.000 1.045 552 V HN 0.674 nan 8.190 nan 0.000 0.432 553 A N 1.911 124.737 122.820 0.011 0.000 2.354 553 A HA 0.622 4.941 4.320 -0.000 0.000 0.281 553 A C 0.530 178.119 177.584 0.008 0.000 1.174 553 A CA 0.333 52.376 52.037 0.010 0.000 0.828 553 A CB -1.271 17.735 19.000 0.010 0.000 1.099 553 A HN 1.629 nan 8.150 nan 0.000 0.516 554 N N 0.790 119.494 118.700 0.007 0.000 2.621 554 N HA -0.114 4.626 4.740 -0.000 0.000 0.269 554 N C -2.783 172.731 175.510 0.006 0.000 1.154 554 N CA 0.469 53.522 53.050 0.006 0.000 0.696 554 N CB -1.146 37.344 38.487 0.005 0.000 0.878 554 N HN 0.609 nan 8.380 nan 0.000 0.550 555 P HA -0.030 nan 4.420 nan 0.000 0.267 555 P C -0.001 177.305 177.300 0.010 0.000 1.209 555 P CA 0.230 63.335 63.100 0.008 0.000 0.763 555 P CB 0.797 32.501 31.700 0.007 0.000 0.816 556 D N 2.329 122.736 120.400 0.012 0.000 2.178 556 D HA -0.046 4.594 4.640 -0.000 0.000 0.201 556 D C 0.904 177.219 176.300 0.025 0.000 0.980 556 D CA 1.441 55.452 54.000 0.017 0.000 0.842 556 D CB 0.462 41.272 40.800 0.016 0.000 0.948 556 D HN 0.394 nan 8.370 nan 0.000 0.472 557 I N -0.069 120.515 120.570 0.024 0.000 2.827 557 I HA 0.257 4.427 4.170 -0.000 0.000 0.298 557 I C -1.557 174.573 176.117 0.022 0.000 1.235 557 I CA -0.760 60.559 61.300 0.033 0.000 1.021 557 I CB 2.585 40.608 38.000 0.038 0.000 1.259 557 I HN -0.325 nan 8.210 nan 0.000 0.427 558 I N 7.079 127.664 120.570 0.026 0.000 2.354 558 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 558 I C -0.895 175.221 176.117 -0.001 0.000 0.989 558 I CA -0.634 60.670 61.300 0.006 0.000 1.188 558 I CB 1.503 39.505 38.000 0.003 0.000 1.342 558 I HN 0.320 nan 8.210 nan 0.000 0.457 559 L N 7.113 128.324 121.223 -0.020 0.000 2.262 559 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 559 L C -0.495 176.335 176.870 -0.067 0.000 1.035 559 L CA -0.758 54.061 54.840 -0.035 0.000 0.820 559 L CB 1.330 43.375 42.059 -0.023 0.000 1.204 559 L HN 0.291 nan 8.230 nan 0.000 0.424 560 V N 3.122 122.980 119.914 -0.094 0.000 2.383 560 V HA 0.758 4.878 4.120 -0.000 0.000 0.275 560 V C 0.391 176.405 176.094 -0.134 0.000 1.036 560 V CA -0.212 62.023 62.300 -0.107 0.000 0.889 560 V CB 1.135 32.916 31.823 -0.070 0.000 0.985 560 V HN 0.894 nan 8.190 nan 0.000 0.459 561 A N 4.008 126.792 122.820 -0.061 0.000 2.532 561 A HA 1.011 5.331 4.320 -0.000 0.000 0.290 561 A C -0.163 177.475 177.584 0.091 0.000 1.143 561 A CA -0.270 51.756 52.037 -0.018 0.000 0.728 561 A CB 2.293 21.273 19.000 -0.033 0.000 1.317 561 A HN 0.852 nan 8.150 nan 0.000 0.414 562 T N -2.552 112.084 114.554 0.135 0.000 2.887 562 T HA 0.713 5.063 4.350 -0.000 0.000 0.292 562 T C 1.015 175.762 174.700 0.078 0.000 1.087 562 T CA 0.442 62.622 62.100 0.133 0.000 1.009 562 T CB 0.962 69.948 68.868 0.197 0.000 1.203 562 T HN 2.577 nan 8.240 nan 0.000 0.518 563 G N 1.981 110.826 108.800 0.075 0.000 2.698 563 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.346 563 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.346 563 G C 1.347 176.263 174.900 0.026 0.000 1.287 563 G CA 2.076 47.209 45.100 0.056 0.000 0.990 563 G HN 2.015 nan 8.290 nan 0.000 0.545 564 S N 0.093 115.802 115.700 0.014 0.000 2.507 564 S HA 0.082 4.552 4.470 -0.000 0.000 0.235 564 S C 1.704 176.273 174.600 -0.052 0.000 0.988 564 S CA 1.949 60.138 58.200 -0.020 0.000 0.944 564 S CB 0.166 63.366 63.200 -0.000 0.000 0.762 564 S HN 0.613 nan 8.310 nan 0.000 0.526 565 E N 0.853 121.037 120.200 -0.026 0.000 2.447 565 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 565 E C 1.769 178.361 176.600 -0.013 0.000 1.028 565 E CA 0.114 56.501 56.400 -0.022 0.000 0.876 565 E CB -0.118 29.575 29.700 -0.011 0.000 0.885 565 E HN 0.377 nan 8.360 nan 0.000 0.500 566 V N 0.839 120.746 119.914 -0.012 0.000 2.358 566 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 566 V C 2.246 178.328 176.094 -0.020 0.000 1.047 566 V CA 1.977 64.265 62.300 -0.020 0.000 1.035 566 V CB -0.743 31.068 31.823 -0.020 0.000 0.658 566 V HN 0.377 nan 8.190 nan 0.000 0.452 567 S N 0.595 116.281 115.700 -0.023 0.000 2.368 567 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 567 S C 1.961 176.545 174.600 -0.026 0.000 1.030 567 S CA 1.588 59.774 58.200 -0.024 0.000 0.999 567 S CB -0.720 62.460 63.200 -0.034 0.000 0.844 567 S HN 0.379 nan 8.310 nan 0.000 0.459 568 L N 2.351 123.553 121.223 -0.035 0.000 1.971 568 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 568 L C 2.503 179.376 176.870 0.006 0.000 1.072 568 L CA 2.255 57.083 54.840 -0.020 0.000 0.758 568 L CB -1.199 40.851 42.059 -0.014 0.000 0.889 568 L HN 0.324 nan 8.230 nan 0.000 0.433 569 S N -1.258 114.448 115.700 0.009 0.000 2.383 569 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 569 S C 1.939 176.538 174.600 -0.003 0.000 1.030 569 S CA 1.373 59.577 58.200 0.008 0.000 1.002 569 S CB -0.482 62.715 63.200 -0.005 0.000 0.829 569 S HN 0.361 nan 8.310 nan 0.000 0.467 570 V N 1.785 121.693 119.914 -0.008 0.000 2.515 570 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 570 V C 2.444 178.537 176.094 -0.002 0.000 1.058 570 V CA 1.321 63.617 62.300 -0.006 0.000 1.064 570 V CB -0.476 31.344 31.823 -0.005 0.000 0.675 570 V HN 0.371 nan 8.190 nan 0.000 0.461 571 E N 0.394 120.593 120.200 -0.002 0.000 2.112 571 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 571 E C 2.386 178.988 176.600 0.003 0.000 0.979 571 E CA 1.296 57.696 56.400 -0.001 0.000 0.814 571 E CB -0.385 29.313 29.700 -0.004 0.000 0.762 571 E HN 0.544 nan 8.360 nan 0.000 0.460 572 A N 1.441 124.265 122.820 0.008 0.000 1.933 572 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 572 A C 2.358 179.944 177.584 0.003 0.000 1.175 572 A CA 1.827 53.870 52.037 0.009 0.000 0.628 572 A CB -0.428 18.584 19.000 0.020 0.000 0.814 572 A HN 0.241 nan 8.150 nan 0.000 0.444 573 A N -0.736 122.085 122.820 0.002 0.000 2.015 573 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 573 A C 2.027 179.612 177.584 0.001 0.000 1.163 573 A CA 1.882 53.919 52.037 0.000 0.000 0.646 573 A CB -0.258 18.741 19.000 -0.001 0.000 0.806 573 A HN 0.448 nan 8.150 nan 0.000 0.448 574 K N -0.837 119.564 120.400 0.001 0.000 2.116 574 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 574 K C 2.057 178.658 176.600 0.001 0.000 1.052 574 K CA 1.528 57.816 56.287 0.002 0.000 0.952 574 K CB -0.308 32.193 32.500 0.003 0.000 0.729 574 K HN 0.427 nan 8.250 nan 0.000 0.446 575 T N 1.448 116.001 114.554 -0.000 0.000 2.614 575 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 575 T C 1.687 176.385 174.700 -0.004 0.000 1.055 575 T CA 1.295 63.393 62.100 -0.002 0.000 1.162 575 T CB -0.353 68.513 68.868 -0.004 0.000 0.863 575 T HN 0.070 nan 8.240 nan 0.000 0.414 576 L N 0.879 122.100 121.223 -0.005 0.000 2.051 576 L HA -0.244 4.096 4.340 -0.000 0.000 0.214 576 L C 3.053 179.921 176.870 -0.002 0.000 1.076 576 L CA 1.531 56.368 54.840 -0.005 0.000 0.758 576 L CB -0.825 41.232 42.059 -0.004 0.000 0.890 576 L HN 0.290 nan 8.230 nan 0.000 0.433 577 A N -0.067 122.753 122.820 -0.000 0.000 1.940 577 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 577 A C 2.499 180.083 177.584 0.001 0.000 1.176 577 A CA 1.888 53.926 52.037 0.001 0.000 0.631 577 A CB -0.689 18.312 19.000 0.003 0.000 0.814 577 A HN 0.451 nan 8.150 nan 0.000 0.446 578 A N 0.234 123.054 122.820 -0.000 0.000 2.015 578 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 578 A C 1.655 179.238 177.584 -0.002 0.000 1.163 578 A CA 1.546 53.583 52.037 -0.001 0.000 0.646 578 A CB -0.364 18.635 19.000 -0.001 0.000 0.806 578 A HN 0.689 nan 8.150 nan 0.000 0.448 579 K N -0.849 119.549 120.400 -0.003 0.000 3.010 579 K HA 0.324 4.644 4.320 -0.000 0.000 0.211 579 K C -0.411 176.187 176.600 -0.003 0.000 1.146 579 K CA -0.169 56.116 56.287 -0.004 0.000 1.070 579 K CB -0.796 31.700 32.500 -0.006 0.000 0.908 579 K HN 0.348 nan 8.250 nan 0.000 0.463 580 N N 1.066 119.765 118.700 -0.001 0.000 2.701 580 N HA -0.215 4.525 4.740 -0.000 0.000 0.252 580 N C -0.935 174.576 175.510 0.001 0.000 1.002 580 N CA 0.190 53.240 53.050 0.001 0.000 0.758 580 N CB -0.912 37.575 38.487 0.001 0.000 0.937 580 N HN 0.447 nan 8.380 nan 0.000 0.538 581 I N 0.765 121.335 120.570 0.001 0.000 2.385 581 I HA 0.164 4.333 4.170 -0.000 0.000 0.294 581 I C 0.371 176.490 176.117 0.004 0.000 0.988 581 I CA -0.254 61.048 61.300 0.003 0.000 1.265 581 I CB 1.221 39.222 38.000 0.002 0.000 1.388 581 I HN -0.034 nan 8.210 nan 0.000 0.480 582 K N 5.802 126.205 120.400 0.006 0.000 2.263 582 K HA 0.718 5.038 4.320 -0.000 0.000 0.272 582 K C -0.786 175.818 176.600 0.006 0.000 1.033 582 K CA -0.533 55.758 56.287 0.006 0.000 0.884 582 K CB 1.571 34.075 32.500 0.006 0.000 1.107 582 K HN 0.646 nan 8.250 nan 0.000 0.460 583 A N 3.504 126.326 122.820 0.004 0.000 2.330 583 A HA 0.437 4.757 4.320 -0.000 0.000 0.327 583 A C -0.562 177.021 177.584 -0.001 0.000 1.155 583 A CA -0.774 51.264 52.037 0.002 0.000 0.803 583 A CB 0.875 19.875 19.000 0.000 0.000 1.208 583 A HN 0.775 nan 8.150 nan 0.000 0.477 584 R N 2.066 122.564 120.500 -0.004 0.000 2.407 584 R HA 0.584 4.924 4.340 -0.000 0.000 0.303 584 R C -1.562 174.723 176.300 -0.026 0.000 0.981 584 R CA -0.311 55.782 56.100 -0.012 0.000 0.905 584 R CB 1.147 31.440 30.300 -0.011 0.000 1.099 584 R HN 0.467 nan 8.270 nan 0.000 0.459 585 V N 5.118 125.009 119.914 -0.038 0.000 2.347 585 V HA 0.303 4.423 4.120 -0.000 0.000 0.280 585 V C -0.268 175.762 176.094 -0.107 0.000 1.021 585 V CA -0.769 61.494 62.300 -0.062 0.000 0.847 585 V CB 1.565 33.356 31.823 -0.053 0.000 0.990 585 V HN 0.490 nan 8.190 nan 0.000 0.444 586 V N 3.995 123.829 119.914 -0.134 0.000 2.370 586 V HA 0.411 4.530 4.120 -0.000 0.000 0.283 586 V C 0.342 176.279 176.094 -0.261 0.000 1.023 586 V CA -0.130 62.048 62.300 -0.204 0.000 0.857 586 V CB 1.942 33.655 31.823 -0.182 0.000 0.985 586 V HN 0.873 nan 8.190 nan 0.000 0.443 587 S N 5.017 120.451 115.700 -0.443 0.000 2.438 587 S HA 0.536 5.006 4.470 -0.000 0.000 0.293 587 S C -0.522 173.895 174.600 -0.304 0.000 1.141 587 S CA -0.463 57.506 58.200 -0.385 0.000 1.080 587 S CB 0.609 63.486 63.200 -0.538 0.000 0.978 587 S HN 0.573 nan 8.310 nan 0.000 0.479 588 L N 9.171 130.305 121.223 -0.149 0.000 2.701 588 L HA 0.459 4.799 4.340 -0.000 0.000 0.237 588 L C -1.510 175.355 176.870 -0.009 0.000 1.204 588 L CA -1.818 52.926 54.840 -0.160 0.000 1.109 588 L CB 1.139 43.062 42.059 -0.225 0.000 1.409 588 L HN 0.507 nan 8.230 nan 0.000 0.428 589 P HA -0.097 nan 4.420 nan 0.000 0.222 589 P C -0.206 177.040 177.300 -0.091 0.000 1.147 589 P CA 0.890 64.067 63.100 0.127 0.000 0.790 589 P CB 0.378 32.304 31.700 0.377 0.000 0.780 590 D N -2.134 118.090 120.400 -0.293 0.000 2.890 590 D HA 0.171 4.811 4.640 -0.000 0.000 0.233 590 D C 0.576 176.861 176.300 -0.025 0.000 1.306 590 D CA -0.707 53.053 54.000 -0.400 0.000 0.929 590 D CB 0.579 40.641 40.800 -1.231 0.000 1.512 590 D HN -0.373 nan 8.370 nan 0.000 0.568 591 F N 2.346 122.193 119.950 -0.172 0.000 2.065 591 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 591 F C 2.055 177.906 175.800 0.085 0.000 1.112 591 F CA 0.831 58.830 58.000 -0.002 0.000 1.212 591 F CB -1.018 37.995 39.000 0.022 0.000 0.975 591 F HN 0.502 nan 8.300 nan 0.000 0.476 592 F N 1.018 121.038 119.950 0.116 0.000 2.043 592 F HA -0.293 4.234 4.527 -0.000 0.000 0.297 592 F C 2.553 178.379 175.800 0.043 0.000 1.121 592 F CA 2.548 60.582 58.000 0.055 0.000 1.199 592 F CB -0.927 38.073 39.000 -0.001 0.000 0.968 592 F HN -0.105 nan 8.300 nan 0.000 0.478 593 T N 0.636 115.256 114.554 0.111 0.000 2.720 593 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 593 T C 1.659 176.406 174.700 0.078 0.000 1.037 593 T CA 1.617 63.765 62.100 0.080 0.000 1.144 593 T CB -0.792 68.099 68.868 0.037 0.000 0.864 593 T HN 0.344 nan 8.240 nan 0.000 0.444 594 F N 2.524 122.440 119.950 -0.056 0.000 2.075 594 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 594 F C 1.882 177.675 175.800 -0.011 0.000 1.113 594 F CA 1.308 59.305 58.000 -0.004 0.000 1.218 594 F CB -0.567 38.400 39.000 -0.056 0.000 0.984 594 F HN 0.021 nan 8.300 nan 0.000 0.472 595 D N 0.404 120.795 120.400 -0.016 0.000 2.239 595 D HA -0.199 4.441 4.640 -0.000 0.000 0.202 595 D C 1.961 178.112 176.300 -0.248 0.000 0.993 595 D CA 1.191 55.090 54.000 -0.168 0.000 0.874 595 D CB -0.328 40.412 40.800 -0.101 0.000 0.922 595 D HN 0.327 nan 8.370 nan 0.000 0.464 596 K N 0.109 120.359 120.400 -0.251 0.000 2.487 596 K HA 0.001 4.321 4.320 -0.000 0.000 0.192 596 K C 0.455 176.968 176.600 -0.145 0.000 1.027 596 K CA 0.116 56.270 56.287 -0.221 0.000 1.054 596 K CB 0.337 32.700 32.500 -0.229 0.000 0.824 596 K HN 0.188 nan 8.250 nan 0.000 0.510 597 Q N 0.922 120.626 119.800 -0.160 0.000 2.312 597 Q HA 0.179 4.519 4.340 -0.000 0.000 0.236 597 Q C -2.297 173.645 176.000 -0.098 0.000 0.965 597 Q CA -2.251 53.489 55.803 -0.105 0.000 0.894 597 Q CB 0.069 28.796 28.738 -0.018 0.000 1.225 597 Q HN 0.086 nan 8.270 nan 0.000 0.478 598 P HA -0.105 nan 4.420 nan 0.000 0.262 598 P C 0.804 178.089 177.300 -0.026 0.000 1.182 598 P CA -0.049 63.036 63.100 -0.025 0.000 0.761 598 P CB 0.603 32.307 31.700 0.006 0.000 0.795 599 L N 4.555 125.743 121.223 -0.058 0.000 2.089 599 L HA -0.238 4.101 4.340 -0.000 0.000 0.213 599 L C 2.253 179.098 176.870 -0.042 0.000 1.079 599 L CA 1.976 56.771 54.840 -0.075 0.000 0.758 599 L CB -1.081 40.939 42.059 -0.065 0.000 0.891 599 L HN 0.398 nan 8.230 nan 0.000 0.433 600 E N -1.859 118.339 120.200 -0.003 0.000 2.085 600 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 600 E C 2.099 178.722 176.600 0.038 0.000 0.994 600 E CA 1.737 58.147 56.400 0.017 0.000 0.801 600 E CB -0.573 29.149 29.700 0.037 0.000 0.743 600 E HN 0.640 nan 8.360 nan 0.000 0.453 601 Y N 2.133 122.412 120.300 -0.035 0.000 2.163 601 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 601 Y C 2.178 178.080 175.900 0.003 0.000 1.136 601 Y CA 1.549 59.645 58.100 -0.006 0.000 1.147 601 Y CB 0.041 38.493 38.460 -0.013 0.000 0.987 601 Y HN -0.154 nan 8.280 nan 0.000 0.509 602 R N 0.050 120.457 120.500 -0.154 0.000 2.081 602 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 602 R C 2.242 178.491 176.300 -0.084 0.000 1.131 602 R CA 1.777 57.725 56.100 -0.253 0.000 0.960 602 R CB -0.924 29.098 30.300 -0.464 0.000 0.856 602 R HN 0.384 nan 8.270 nan 0.000 0.436 603 L N 1.588 122.766 121.223 -0.075 0.000 2.362 603 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 603 L C 2.394 179.234 176.870 -0.050 0.000 1.134 603 L CA 1.075 55.893 54.840 -0.037 0.000 0.807 603 L CB -0.354 41.687 42.059 -0.029 0.000 0.927 603 L HN 0.280 nan 8.230 nan 0.000 0.447 604 S N -1.992 113.650 115.700 -0.097 0.000 2.527 604 S HA -0.003 4.467 4.470 -0.000 0.000 0.222 604 S C 1.658 176.187 174.600 -0.117 0.000 0.985 604 S CA 0.200 58.347 58.200 -0.089 0.000 0.921 604 S CB 0.048 63.198 63.200 -0.082 0.000 0.772 604 S HN 0.152 nan 8.310 nan 0.000 0.529 605 V N 0.967 120.790 119.914 -0.151 0.000 2.575 605 V HA 0.322 4.442 4.120 -0.000 0.000 0.242 605 V C 0.766 176.844 176.094 -0.028 0.000 1.045 605 V CA 0.845 63.082 62.300 -0.104 0.000 1.065 605 V CB -0.305 31.458 31.823 -0.100 0.000 0.717 605 V HN 0.473 nan 8.190 nan 0.000 0.467 606 L N 3.172 124.413 121.223 0.029 0.000 2.445 606 L HA 0.392 4.732 4.340 -0.000 0.000 0.252 606 L C -2.435 174.452 176.870 0.029 0.000 1.105 606 L CA -1.403 53.461 54.840 0.039 0.000 0.943 606 L CB 1.398 43.517 42.059 0.099 0.000 1.277 606 L HN 0.170 nan 8.230 nan 0.000 0.465 607 P HA 0.211 nan 4.420 nan 0.000 0.289 607 P C -0.889 176.429 177.300 0.029 0.000 1.299 607 P CA -0.472 62.636 63.100 0.014 0.000 0.766 607 P CB 1.243 32.946 31.700 0.005 0.000 1.226 608 D N -0.385 120.027 120.400 0.020 0.000 2.312 608 D HA 0.171 4.811 4.640 -0.000 0.000 0.248 608 D C 0.429 176.735 176.300 0.010 0.000 1.086 608 D CA 0.211 54.225 54.000 0.023 0.000 0.948 608 D CB -0.285 40.520 40.800 0.009 0.000 1.162 608 D HN 0.319 nan 8.370 nan 0.000 0.446 609 N N -0.759 117.937 118.700 -0.006 0.000 2.776 609 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 609 N C -1.284 174.208 175.510 -0.031 0.000 1.112 609 N CA 0.466 53.497 53.050 -0.032 0.000 0.733 609 N CB -1.307 37.168 38.487 -0.020 0.000 1.097 609 N HN 0.124 nan 8.380 nan 0.000 0.558 610 V N -0.763 119.140 119.914 -0.019 0.000 2.760 610 V HA 0.544 4.664 4.120 -0.000 0.000 0.309 610 V C -2.307 173.778 176.094 -0.015 0.000 1.077 610 V CA -1.588 60.707 62.300 -0.008 0.000 0.910 610 V CB 2.671 34.507 31.823 0.022 0.000 1.008 610 V HN -0.197 nan 8.190 nan 0.000 0.424 611 P HA 0.489 nan 4.420 nan 0.000 0.275 611 P C -0.936 176.469 177.300 0.175 0.000 1.228 611 P CA -0.060 63.035 63.100 -0.008 0.000 0.786 611 P CB 0.647 32.387 31.700 0.066 0.000 0.927 612 I N 2.478 123.245 120.570 0.329 0.000 2.466 612 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 612 I C -0.102 176.087 176.117 0.119 0.000 1.026 612 I CA -0.568 60.816 61.300 0.141 0.000 1.078 612 I CB 1.675 39.699 38.000 0.041 0.000 1.249 612 I HN 0.206 nan 8.210 nan 0.000 0.429 613 M N 5.894 125.527 119.600 0.054 0.000 2.321 613 M HA 0.484 4.964 4.480 -0.000 0.000 0.315 613 M C -0.538 175.715 176.300 -0.079 0.000 1.052 613 M CA -0.397 54.915 55.300 0.020 0.000 0.936 613 M CB 1.875 34.495 32.600 0.034 0.000 1.639 613 M HN 0.693 nan 8.290 nan 0.000 0.433 614 S N 3.472 119.052 115.700 -0.201 0.000 2.578 614 S HA 0.748 5.218 4.470 -0.000 0.000 0.283 614 S C -0.745 173.631 174.600 -0.374 0.000 1.195 614 S CA -0.745 57.155 58.200 -0.499 0.000 1.050 614 S CB 1.653 64.178 63.200 -1.126 0.000 1.012 614 S HN 0.556 nan 8.310 nan 0.000 0.511 615 V N 2.148 121.863 119.914 -0.332 0.000 2.419 615 V HA 0.595 4.715 4.120 -0.000 0.000 0.287 615 V C -0.486 175.534 176.094 -0.122 0.000 1.017 615 V CA -0.314 61.924 62.300 -0.104 0.000 0.844 615 V CB 0.858 32.702 31.823 0.034 0.000 1.011 615 V HN 1.042 nan 8.190 nan 0.000 0.429 616 E N 3.058 123.184 120.200 -0.122 0.000 2.311 616 E HA 0.341 4.691 4.350 -0.000 0.000 0.281 616 E C -0.285 176.179 176.600 -0.227 0.000 0.905 616 E CA -0.640 55.711 56.400 -0.083 0.000 0.778 616 E CB 2.547 32.329 29.700 0.137 0.000 1.240 616 E HN 0.527 nan 8.360 nan 0.000 0.410 617 V N 2.733 122.382 119.914 -0.441 0.000 3.299 617 V HA 0.279 4.399 4.120 -0.000 0.000 0.369 617 V C -0.105 175.748 176.094 -0.401 0.000 1.245 617 V CA 0.317 62.191 62.300 -0.709 0.000 1.459 617 V CB -1.496 29.863 31.823 -0.774 0.000 1.203 617 V HN 0.431 nan 8.190 nan 0.000 0.451 618 L N 0.070 121.165 121.223 -0.213 0.000 2.309 618 L HA 0.883 5.223 4.340 -0.000 0.000 0.240 618 L C 0.692 177.530 176.870 -0.052 0.000 1.136 618 L CA -0.314 54.442 54.840 -0.141 0.000 0.985 618 L CB 0.957 42.966 42.059 -0.083 0.000 1.572 618 L HN 0.140 nan 8.230 nan 0.000 0.426 619 A N -0.510 122.295 122.820 -0.025 0.000 2.540 619 A HA 0.328 4.648 4.320 -0.000 0.000 0.239 619 A C 0.984 178.651 177.584 0.139 0.000 1.061 619 A CA 0.700 52.746 52.037 0.016 0.000 0.758 619 A CB -0.187 18.803 19.000 -0.016 0.000 0.991 619 A HN 0.829 nan 8.150 nan 0.000 0.502 620 T N -0.812 113.828 114.554 0.143 0.000 3.081 620 T HA -0.063 4.287 4.350 -0.000 0.000 0.255 620 T C 1.556 176.413 174.700 0.262 0.000 1.113 620 T CA 1.163 63.406 62.100 0.239 0.000 1.082 620 T CB -0.850 68.106 68.868 0.146 0.000 0.939 620 T HN 0.905 nan 8.240 nan 0.000 0.506 621 T N 1.274 115.923 114.554 0.158 0.000 2.699 621 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 621 T C 2.338 177.118 174.700 0.134 0.000 1.036 621 T CA 1.589 63.758 62.100 0.114 0.000 1.147 621 T CB -1.674 67.224 68.868 0.050 0.000 0.862 621 T HN 0.792 nan 8.240 nan 0.000 0.446 622 C N -1.389 117.997 119.300 0.142 0.000 2.456 622 C HA 0.241 4.701 4.460 -0.000 0.000 0.279 622 C C 2.231 177.313 174.990 0.154 0.000 1.427 622 C CA -0.989 58.090 59.018 0.101 0.000 1.778 622 C CB -2.297 25.452 27.740 0.015 0.000 1.842 622 C HN 0.641 nan 8.230 nan 0.000 0.531 623 W N 1.575 122.982 121.300 0.177 0.000 2.937 623 W HA 0.240 4.900 4.660 -0.000 0.000 0.245 623 W C 2.393 178.943 176.519 0.051 0.000 1.306 623 W CA 0.462 57.915 57.345 0.180 0.000 1.470 623 W CB -0.277 29.295 29.460 0.185 0.000 1.132 623 W HN 0.485 nan 8.180 nan 0.000 0.675 624 G N 1.309 110.239 108.800 0.215 0.000 2.501 624 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 624 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 624 G C 1.547 176.422 174.900 -0.041 0.000 1.114 624 G CA 1.123 46.276 45.100 0.090 0.000 0.757 624 G HN 0.404 nan 8.290 nan 0.000 0.559 625 K N -0.894 119.383 120.400 -0.204 0.000 2.418 625 K HA 0.083 4.403 4.320 -0.000 0.000 0.195 625 K C 0.909 177.154 176.600 -0.592 0.000 1.035 625 K CA 0.658 56.655 56.287 -0.483 0.000 1.003 625 K CB -0.078 31.976 32.500 -0.744 0.000 0.793 625 K HN 0.429 nan 8.250 nan 0.000 0.494 626 Y N 0.242 120.527 120.300 -0.025 0.000 2.425 626 Y HA 0.420 4.970 4.550 -0.000 0.000 0.261 626 Y C 0.624 176.499 175.900 -0.042 0.000 1.084 626 Y CA -0.461 57.625 58.100 -0.023 0.000 1.248 626 Y CB 1.080 39.542 38.460 0.003 0.000 1.270 626 Y HN 0.139 nan 8.280 nan 0.000 0.524 627 A N -1.010 121.886 122.820 0.125 0.000 2.454 627 A HA 0.597 4.917 4.320 -0.000 0.000 0.302 627 A C -0.593 176.948 177.584 -0.071 0.000 1.079 627 A CA -0.471 51.572 52.037 0.011 0.000 0.731 627 A CB 0.785 19.848 19.000 0.105 0.000 1.299 627 A HN 0.359 nan 8.150 nan 0.000 0.413 628 H N -0.080 119.042 119.070 0.086 0.000 2.344 628 H HA 0.136 4.692 4.556 -0.000 0.000 0.307 628 H C 0.247 175.669 175.328 0.158 0.000 1.057 628 H CA 1.090 57.202 56.048 0.105 0.000 1.373 628 H CB 0.304 30.089 29.762 0.039 0.000 1.421 628 H HN 0.500 nan 8.280 nan 0.000 0.532 629 Q N 0.376 120.325 119.800 0.250 0.000 2.348 629 Q HA 0.483 4.822 4.340 -0.000 0.000 0.271 629 Q C -0.982 175.050 176.000 0.053 0.000 1.067 629 Q CA -0.558 55.326 55.803 0.135 0.000 0.839 629 Q CB 2.719 31.517 28.738 0.101 0.000 1.354 629 Q HN 0.102 nan 8.270 nan 0.000 0.447 630 S N 1.366 117.083 115.700 0.028 0.000 2.594 630 S HA 0.476 4.946 4.470 -0.000 0.000 0.296 630 S C -1.145 173.498 174.600 0.072 0.000 1.124 630 S CA -0.598 57.588 58.200 -0.023 0.000 1.011 630 S CB 0.869 64.059 63.200 -0.017 0.000 1.016 630 S HN 0.449 nan 8.310 nan 0.000 0.485 631 F N 3.415 123.297 119.950 -0.115 0.000 2.371 631 F HA 0.770 5.297 4.527 -0.000 0.000 0.363 631 F C 0.442 176.312 175.800 0.117 0.000 1.122 631 F CA -0.701 57.265 58.000 -0.056 0.000 1.129 631 F CB 0.242 39.163 39.000 -0.133 0.000 1.173 631 F HN 0.710 nan 8.300 nan 0.000 0.489 632 G N 5.619 114.574 108.800 0.258 0.000 2.731 632 G HA2 0.539 4.499 3.960 -0.000 0.000 0.309 632 G HA3 0.539 4.499 3.960 -0.000 0.000 0.309 632 G C -1.750 173.255 174.900 0.174 0.000 1.273 632 G CA -0.837 44.372 45.100 0.182 0.000 0.798 632 G HN 0.447 nan 8.290 nan 0.000 0.509 633 I N 1.262 121.828 120.570 -0.007 0.000 2.382 633 I HA 0.301 4.470 4.170 -0.000 0.000 0.285 633 I C -0.893 175.183 176.117 -0.068 0.000 1.007 633 I CA -0.484 60.782 61.300 -0.056 0.000 1.142 633 I CB 2.036 39.845 38.000 -0.318 0.000 1.289 633 I HN 0.299 nan 8.210 nan 0.000 0.453 634 D N 7.094 127.483 120.400 -0.018 0.000 3.058 634 D HA 0.183 4.823 4.640 -0.000 0.000 0.272 634 D C -0.051 176.188 176.300 -0.101 0.000 1.350 634 D CA -0.128 53.833 54.000 -0.064 0.000 0.863 634 D CB 0.481 41.269 40.800 -0.020 0.000 1.064 634 D HN 0.518 nan 8.370 nan 0.000 0.488 635 R N -1.735 118.695 120.500 -0.117 0.000 2.734 635 R HA 0.448 4.787 4.340 -0.000 0.000 0.271 635 R C -0.921 175.305 176.300 -0.122 0.000 1.021 635 R CA -0.708 55.325 56.100 -0.111 0.000 0.893 635 R CB 0.129 30.492 30.300 0.106 0.000 1.244 635 R HN -0.335 nan 8.270 nan 0.000 0.464 636 F N 0.238 120.237 119.950 0.081 0.000 2.456 636 F HA 0.493 5.020 4.527 0.000 0.000 0.306 636 F C 1.841 177.716 175.800 0.125 0.000 1.278 636 F CA 1.324 59.357 58.000 0.055 0.000 1.264 636 F CB 0.275 39.306 39.000 0.052 0.000 1.253 636 F HN 0.782 nan 8.300 nan 0.000 0.554 637 G N -0.874 108.110 108.800 0.307 0.000 2.574 637 G HA2 0.626 4.586 3.960 -0.000 0.000 0.248 637 G HA3 0.626 4.586 3.960 -0.000 0.000 0.248 637 G C -1.599 173.472 174.900 0.285 0.000 1.422 637 G CA -0.142 45.120 45.100 0.271 0.000 1.051 637 G HN 0.854 nan 8.290 nan 0.000 0.560 638 A N -1.230 121.703 122.820 0.188 0.000 2.486 638 A HA 0.644 4.964 4.320 -0.000 0.000 0.300 638 A C -0.284 177.275 177.584 -0.043 0.000 1.048 638 A CA -0.342 51.696 52.037 0.001 0.000 0.696 638 A CB 1.570 20.431 19.000 -0.232 0.000 1.278 638 A HN 0.857 nan 8.150 nan 0.000 0.405 639 S N 0.569 116.228 115.700 -0.068 0.000 2.465 639 S HA 0.579 5.049 4.470 -0.000 0.000 0.280 639 S C 0.410 174.958 174.600 -0.087 0.000 1.232 639 S CA 0.764 58.924 58.200 -0.067 0.000 1.066 639 S CB -0.078 63.087 63.200 -0.059 0.000 0.929 639 S HN 1.897 nan 8.310 nan 0.000 0.494 640 G N 3.777 112.535 108.800 -0.071 0.000 2.523 640 G HA2 0.312 4.272 3.960 -0.000 0.000 0.291 640 G HA3 0.312 4.272 3.960 -0.000 0.000 0.291 640 G C -1.825 173.055 174.900 -0.033 0.000 1.450 640 G CA -1.000 44.060 45.100 -0.066 0.000 0.790 640 G HN 0.588 nan 8.290 nan 0.000 0.496 641 K N 0.667 121.060 120.400 -0.011 0.000 2.448 641 K HA 0.365 4.685 4.320 -0.000 0.000 0.278 641 K C 1.557 178.181 176.600 0.039 0.000 1.009 641 K CA 0.337 56.633 56.287 0.014 0.000 0.995 641 K CB 1.570 34.086 32.500 0.026 0.000 0.917 641 K HN 0.621 nan 8.250 nan 0.000 0.481 642 A N 6.163 129.015 122.820 0.053 0.000 1.915 642 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 642 A C -0.584 177.163 177.584 0.271 0.000 1.198 642 A CA 1.604 53.700 52.037 0.098 0.000 0.647 642 A CB -1.368 17.715 19.000 0.138 0.000 0.825 642 A HN 0.639 nan 8.150 nan 0.000 0.456 643 P HA -0.145 nan 4.420 nan 0.000 0.215 643 P C 1.146 178.606 177.300 0.267 0.000 1.157 643 P CA 1.545 64.821 63.100 0.293 0.000 0.868 643 P CB -0.157 31.634 31.700 0.152 0.000 0.788 644 E N -0.592 119.708 120.200 0.167 0.000 2.118 644 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 644 E C 1.902 178.601 176.600 0.165 0.000 0.992 644 E CA 1.140 57.621 56.400 0.135 0.000 0.804 644 E CB -0.573 29.166 29.700 0.064 0.000 0.741 644 E HN 0.073 nan 8.360 nan 0.000 0.458 645 V N 0.456 120.456 119.914 0.144 0.000 2.453 645 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 645 V C 1.819 178.142 176.094 0.381 0.000 1.048 645 V CA 1.344 63.746 62.300 0.170 0.000 1.049 645 V CB -0.469 31.384 31.823 0.050 0.000 0.672 645 V HN 0.159 nan 8.190 nan 0.000 0.457 646 F N 0.894 121.017 119.950 0.289 0.000 2.075 646 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 646 F C 2.423 178.441 175.800 0.363 0.000 1.113 646 F CA 1.636 59.821 58.000 0.308 0.000 1.218 646 F CB -0.526 38.579 39.000 0.174 0.000 0.984 646 F HN 0.023 nan 8.300 nan 0.000 0.472 647 K N -0.630 120.041 120.400 0.452 0.000 2.032 647 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 647 K C 2.098 178.869 176.600 0.285 0.000 1.048 647 K CA 1.918 58.389 56.287 0.308 0.000 0.927 647 K CB -0.843 31.786 32.500 0.216 0.000 0.712 647 K HN 0.212 nan 8.250 nan 0.000 0.441 648 F N 0.966 120.970 119.950 0.089 0.000 2.120 648 F HA -0.228 4.299 4.527 0.000 0.000 0.300 648 F C 1.647 177.394 175.800 -0.090 0.000 1.095 648 F CA 1.548 59.498 58.000 -0.083 0.000 1.249 648 F CB -0.230 38.614 39.000 -0.261 0.000 0.995 648 F HN -0.098 nan 8.300 nan 0.000 0.480 649 F N 0.270 120.402 119.950 0.303 0.000 2.811 649 F HA 0.259 4.786 4.527 -0.000 0.000 0.301 649 F C 2.008 177.964 175.800 0.259 0.000 1.151 649 F CA 0.833 58.980 58.000 0.245 0.000 1.412 649 F CB -0.169 39.073 39.000 0.403 0.000 1.113 649 F HN 0.193 nan 8.300 nan 0.000 0.579 650 G N -0.589 108.416 108.800 0.341 0.000 2.176 650 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.232 650 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.232 650 G C 0.239 175.269 174.900 0.218 0.000 0.986 650 G CA -0.519 44.702 45.100 0.202 0.000 0.643 650 G HN 0.190 nan 8.290 nan 0.000 0.522 651 F N 3.242 123.378 119.950 0.311 0.000 2.605 651 F HA 0.499 5.026 4.527 -0.000 0.000 0.352 651 F C 1.245 177.133 175.800 0.146 0.000 1.236 651 F CA 0.621 58.748 58.000 0.211 0.000 1.267 651 F CB 0.385 39.480 39.000 0.158 0.000 1.632 651 F HN 0.235 nan 8.300 nan 0.000 0.639 652 T N -1.450 113.235 114.554 0.220 0.000 2.930 652 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 652 T C -2.159 172.592 174.700 0.086 0.000 1.052 652 T CA -2.376 59.798 62.100 0.122 0.000 1.017 652 T CB 2.260 71.188 68.868 0.101 0.000 1.137 652 T HN -0.104 nan 8.240 nan 0.000 0.511 653 P HA -0.083 nan 4.420 nan 0.000 0.214 653 P C 1.364 178.677 177.300 0.023 0.000 1.163 653 P CA 1.234 64.353 63.100 0.031 0.000 0.889 653 P CB 0.109 31.817 31.700 0.014 0.000 0.790 654 E N -1.075 119.134 120.200 0.014 0.000 2.150 654 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 654 E C 2.211 178.799 176.600 -0.020 0.000 0.985 654 E CA 1.115 57.513 56.400 -0.004 0.000 0.814 654 E CB -0.782 28.915 29.700 -0.005 0.000 0.752 654 E HN 0.267 nan 8.360 nan 0.000 0.466 655 G N 0.613 109.411 108.800 -0.003 0.000 2.484 655 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 655 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 655 G C 1.638 176.478 174.900 -0.099 0.000 1.130 655 G CA 0.266 45.336 45.100 -0.051 0.000 0.784 655 G HN 0.092 nan 8.290 nan 0.000 0.543 656 V N 1.065 120.987 119.914 0.013 0.000 2.379 656 V HA 0.040 4.160 4.120 -0.000 0.000 0.243 656 V C 3.233 179.298 176.094 -0.048 0.000 1.035 656 V CA 1.583 63.904 62.300 0.036 0.000 1.035 656 V CB -0.473 31.440 31.823 0.149 0.000 0.673 656 V HN 0.415 nan 8.190 nan 0.000 0.457 657 A N -0.216 122.587 122.820 -0.029 0.000 1.892 657 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 657 A C 2.253 179.796 177.584 -0.069 0.000 1.188 657 A CA 2.369 54.384 52.037 -0.036 0.000 0.631 657 A CB -0.647 18.339 19.000 -0.023 0.000 0.822 657 A HN 0.610 nan 8.150 nan 0.000 0.447 658 E N -0.558 119.584 120.200 -0.096 0.000 2.085 658 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 658 E C 2.217 178.718 176.600 -0.165 0.000 0.994 658 E CA 1.362 57.690 56.400 -0.121 0.000 0.801 658 E CB -0.087 29.532 29.700 -0.136 0.000 0.743 658 E HN 0.606 nan 8.360 nan 0.000 0.453 659 R N -0.525 119.830 120.500 -0.241 0.000 2.193 659 R HA 0.016 4.356 4.340 -0.000 0.000 0.213 659 R C 2.145 178.346 176.300 -0.164 0.000 1.055 659 R CA 0.759 56.689 56.100 -0.283 0.000 0.995 659 R CB 0.015 30.006 30.300 -0.514 0.000 0.893 659 R HN 0.136 nan 8.270 nan 0.000 0.459 660 A N 0.733 123.491 122.820 -0.104 0.000 1.898 660 A HA -0.145 4.174 4.320 -0.000 0.000 0.214 660 A C 1.921 179.488 177.584 -0.028 0.000 1.183 660 A CA 0.836 52.847 52.037 -0.044 0.000 0.622 660 A CB -0.216 18.769 19.000 -0.024 0.000 0.824 660 A HN 0.245 nan 8.150 nan 0.000 0.444 661 Q N 0.025 119.799 119.800 -0.044 0.000 2.045 661 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 661 Q C 1.858 177.837 176.000 -0.035 0.000 0.991 661 Q CA 1.650 57.434 55.803 -0.033 0.000 0.851 661 Q CB -0.279 28.433 28.738 -0.043 0.000 0.911 661 Q HN 0.494 nan 8.270 nan 0.000 0.418 662 K N 0.049 120.407 120.400 -0.070 0.000 2.209 662 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 662 K C 2.005 178.568 176.600 -0.062 0.000 1.048 662 K CA 1.239 57.479 56.287 -0.078 0.000 0.940 662 K CB -0.464 31.953 32.500 -0.139 0.000 0.729 662 K HN 0.244 nan 8.250 nan 0.000 0.451 663 T N 2.073 116.601 114.554 -0.043 0.000 2.812 663 T HA 0.005 4.355 4.350 -0.000 0.000 0.264 663 T C 2.119 176.907 174.700 0.146 0.000 1.042 663 T CA 0.754 62.873 62.100 0.033 0.000 1.140 663 T CB -0.143 68.769 68.868 0.072 0.000 0.870 663 T HN 0.114 nan 8.240 nan 0.000 0.445 664 I N 1.565 122.198 120.570 0.104 0.000 2.127 664 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 664 I C 2.935 179.108 176.117 0.093 0.000 1.075 664 I CA 1.326 62.693 61.300 0.110 0.000 1.334 664 I CB -0.481 37.552 38.000 0.056 0.000 1.040 664 I HN 0.193 nan 8.210 nan 0.000 0.405 665 A N 0.130 122.982 122.820 0.054 0.000 2.015 665 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 665 A C 2.186 179.799 177.584 0.048 0.000 1.163 665 A CA 1.212 53.270 52.037 0.035 0.000 0.646 665 A CB -0.865 18.144 19.000 0.016 0.000 0.806 665 A HN 0.468 nan 8.150 nan 0.000 0.448 666 F N -1.318 118.533 119.950 -0.166 0.000 2.325 666 F HA -0.052 4.475 4.527 0.000 0.000 0.299 666 F C 1.543 177.156 175.800 -0.311 0.000 1.090 666 F CA 1.190 59.011 58.000 -0.299 0.000 1.392 666 F CB 0.006 38.708 39.000 -0.495 0.000 1.053 666 F HN 0.296 nan 8.300 nan 0.000 0.521 667 Y N -0.240 120.076 120.300 0.027 0.000 2.442 667 Y HA 0.244 4.794 4.550 -0.000 0.000 0.250 667 Y C 0.784 176.625 175.900 -0.098 0.000 1.113 667 Y CA -0.488 57.556 58.100 -0.094 0.000 1.273 667 Y CB -0.474 37.965 38.460 -0.034 0.000 1.138 667 Y HN -0.295 nan 8.280 nan 0.000 0.522 668 K N 0.814 121.252 120.400 0.064 0.000 2.440 668 K HA 0.181 4.501 4.320 -0.000 0.000 0.275 668 K C 1.103 177.700 176.600 -0.006 0.000 1.082 668 K CA 1.476 57.779 56.287 0.027 0.000 1.135 668 K CB -0.519 31.987 32.500 0.009 0.000 0.864 668 K HN 0.509 nan 8.250 nan 0.000 0.479 669 G N 2.878 111.676 108.800 -0.003 0.000 2.141 669 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.231 669 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.231 669 G C -0.653 174.233 174.900 -0.023 0.000 0.984 669 G CA 0.029 45.118 45.100 -0.018 0.000 0.660 669 G HN 0.650 nan 8.290 nan 0.000 0.525 670 D N 0.288 120.680 120.400 -0.013 0.000 2.198 670 D HA 0.566 5.206 4.640 -0.000 0.000 0.247 670 D C 0.476 176.746 176.300 -0.050 0.000 1.010 670 D CA -0.338 53.647 54.000 -0.025 0.000 0.880 670 D CB 1.610 42.415 40.800 0.008 0.000 1.209 670 D HN 0.545 nan 8.370 nan 0.000 0.451 671 K N 0.711 121.078 120.400 -0.054 0.000 2.130 671 K HA 0.576 4.896 4.320 -0.000 0.000 0.268 671 K C -1.105 175.434 176.600 -0.101 0.000 0.983 671 K CA -0.510 55.739 56.287 -0.063 0.000 0.893 671 K CB 0.929 33.405 32.500 -0.039 0.000 1.066 671 K HN 0.317 nan 8.250 nan 0.000 0.450 672 L N 3.980 125.126 121.223 -0.128 0.000 2.334 672 L HA 0.527 4.867 4.340 -0.000 0.000 0.276 672 L C -0.531 176.308 176.870 -0.051 0.000 1.014 672 L CA -1.087 53.646 54.840 -0.178 0.000 0.815 672 L CB 1.555 43.389 42.059 -0.376 0.000 1.268 672 L HN 0.647 nan 8.230 nan 0.000 0.428 673 I N 1.497 122.072 120.570 0.009 0.000 2.362 673 I HA 0.163 4.333 4.170 -0.000 0.000 0.289 673 I C 0.504 176.698 176.117 0.128 0.000 0.994 673 I CA -0.357 60.975 61.300 0.052 0.000 1.158 673 I CB 1.871 39.891 38.000 0.033 0.000 1.315 673 I HN 0.589 nan 8.210 nan 0.000 0.451 674 S N 7.566 123.313 115.700 0.078 0.000 2.702 674 S HA 0.027 4.497 4.470 -0.000 0.000 0.314 674 S C -1.405 173.183 174.600 -0.020 0.000 1.244 674 S CA -0.625 57.592 58.200 0.028 0.000 1.058 674 S CB 0.545 63.755 63.200 0.017 0.000 0.783 674 S HN 0.416 nan 8.310 nan 0.000 0.503 675 P HA -0.111 nan 4.420 nan 0.000 0.220 675 P C 1.215 178.458 177.300 -0.096 0.000 1.144 675 P CA 1.066 64.098 63.100 -0.114 0.000 0.800 675 P CB 0.011 31.604 31.700 -0.179 0.000 0.772 676 L N -1.358 119.829 121.223 -0.061 0.000 2.191 676 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 676 L C 1.040 177.861 176.870 -0.082 0.000 1.103 676 L CA 1.036 55.837 54.840 -0.065 0.000 0.769 676 L CB -0.721 41.331 42.059 -0.012 0.000 0.908 676 L HN -0.029 nan 8.230 nan 0.000 0.438 677 K N 1.546 121.908 120.400 -0.062 0.000 2.363 677 K HA 0.102 4.422 4.320 -0.000 0.000 0.289 677 K C -0.211 176.335 176.600 -0.090 0.000 1.063 677 K CA -0.109 56.140 56.287 -0.064 0.000 0.967 677 K CB 0.524 33.003 32.500 -0.035 0.000 0.987 677 K HN -0.124 nan 8.250 nan 0.000 0.473 678 K N 1.424 121.747 120.400 -0.127 0.000 2.110 678 K HA 0.249 4.569 4.320 -0.000 0.000 0.263 678 K C 0.492 176.984 176.600 -0.181 0.000 0.975 678 K CA -0.292 55.873 56.287 -0.203 0.000 0.895 678 K CB 1.792 34.131 32.500 -0.269 0.000 1.060 678 K HN 0.619 nan 8.250 nan 0.000 0.448 679 A N 2.146 124.835 122.820 -0.219 0.000 2.169 679 A HA 0.210 4.530 4.320 -0.000 0.000 0.210 679 A C 0.113 177.743 177.584 0.077 0.000 1.168 679 A CA 0.550 52.571 52.037 -0.028 0.000 0.813 679 A CB -0.227 18.850 19.000 0.129 0.000 0.861 679 A HN 0.603 nan 8.150 nan 0.000 0.481 680 F N 0.000 119.943 119.950 -0.012 0.000 2.286 680 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 680 F CA 0.000 57.994 58.000 -0.011 0.000 1.383 680 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574