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 1ahv_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISSKDQ IVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.588 176.600 -0.020 0.000 1.382 6 E CA 0.000 56.420 56.400 0.034 0.000 0.976 6 E CB 0.000 29.794 29.700 0.157 0.000 0.812 7 F N 0.071 120.110 119.950 0.149 0.000 2.123 7 F HA 0.309 4.835 4.527 -0.000 0.000 0.289 7 F C 1.577 177.428 175.800 0.084 0.000 1.099 7 F CA 1.760 59.839 58.000 0.132 0.000 1.234 7 F CB 0.525 39.567 39.000 0.070 0.000 1.034 7 F HN 0.472 nan 8.300 nan 0.000 0.479 8 R N 0.754 121.360 120.500 0.177 0.000 2.500 8 R HA 0.415 4.755 4.340 -0.000 0.000 0.299 8 R C -3.309 172.917 176.300 -0.124 0.000 1.038 8 R CA -2.099 53.981 56.100 -0.034 0.000 0.903 8 R CB 1.244 31.557 30.300 0.021 0.000 1.177 8 R HN -0.173 nan 8.270 nan 0.000 0.455 9 P HA 0.108 nan 4.420 nan 0.000 0.277 9 P C 0.394 177.600 177.300 -0.157 0.000 1.240 9 P CA -0.645 62.295 63.100 -0.266 0.000 0.798 9 P CB 0.930 32.319 31.700 -0.519 0.000 0.979 10 L N 0.619 121.795 121.223 -0.077 0.000 2.265 10 L HA -0.022 4.318 4.340 -0.000 0.000 0.215 10 L C 0.473 177.302 176.870 -0.069 0.000 1.117 10 L CA 1.627 56.432 54.840 -0.059 0.000 0.782 10 L CB -0.143 41.895 42.059 -0.035 0.000 0.914 10 L HN 0.593 nan 8.230 nan 0.000 0.441 11 T N -3.569 110.942 114.554 -0.071 0.000 2.792 11 T HA 0.557 4.906 4.350 -0.000 0.000 0.303 11 T C -0.848 173.813 174.700 -0.065 0.000 1.310 11 T CA -0.834 61.229 62.100 -0.061 0.000 1.007 11 T CB 1.957 70.803 68.868 -0.036 0.000 1.335 11 T HN -0.020 nan 8.240 nan 0.000 0.504 12 L N 0.298 121.491 121.223 -0.049 0.000 2.409 12 L HA 0.644 4.983 4.340 -0.000 0.000 0.255 12 L C -2.609 174.240 176.870 -0.035 0.000 1.027 12 L CA -2.790 52.022 54.840 -0.048 0.000 0.834 12 L CB 2.627 44.638 42.059 -0.080 0.000 1.426 12 L HN 0.503 nan 8.230 nan 0.000 0.411 13 P HA 0.097 nan 4.420 nan 0.000 0.269 13 P C -2.554 174.716 177.300 -0.051 0.000 1.217 13 P CA -0.776 62.234 63.100 -0.150 0.000 0.783 13 P CB -0.436 30.941 31.700 -0.539 0.000 0.898 14 P HA 0.017 nan 4.420 nan 0.000 0.271 14 P C -0.438 176.856 177.300 -0.009 0.000 1.218 14 P CA 0.049 63.219 63.100 0.117 0.000 0.780 14 P CB 0.232 32.129 31.700 0.329 0.000 0.901 15 K N -0.650 119.746 120.400 -0.006 0.000 3.150 15 K HA -0.184 4.136 4.320 -0.000 0.000 0.267 15 K C -0.412 176.172 176.600 -0.026 0.000 1.028 15 K CA 0.645 56.916 56.287 -0.026 0.000 0.753 15 K CB -2.131 30.341 32.500 -0.046 0.000 1.288 15 K HN 0.535 nan 8.250 nan 0.000 0.473 16 L N -0.746 120.465 121.223 -0.021 0.000 2.513 16 L HA 0.390 4.730 4.340 -0.000 0.000 0.261 16 L C -0.149 176.739 176.870 0.030 0.000 0.945 16 L CA -0.267 54.573 54.840 0.001 0.000 0.848 16 L CB 2.083 44.106 42.059 -0.061 0.000 1.334 16 L HN 0.232 nan 8.230 nan 0.000 0.407 17 S N 3.222 118.963 115.700 0.069 0.000 2.601 17 S HA 0.304 4.773 4.470 -0.000 0.000 0.271 17 S C 0.941 175.611 174.600 0.117 0.000 1.305 17 S CA -0.457 57.791 58.200 0.079 0.000 1.022 17 S CB 1.125 64.378 63.200 0.088 0.000 0.940 17 S HN 0.799 nan 8.310 nan 0.000 0.525 18 L N 2.477 123.758 121.223 0.095 0.000 2.191 18 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 18 L C 2.322 179.301 176.870 0.182 0.000 1.103 18 L CA 1.745 56.659 54.840 0.122 0.000 0.769 18 L CB -1.233 40.867 42.059 0.068 0.000 0.908 18 L HN 0.854 nan 8.230 nan 0.000 0.438 19 S N -0.357 115.429 115.700 0.143 0.000 2.382 19 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 19 S C 1.533 176.224 174.600 0.152 0.000 1.027 19 S CA 1.390 59.673 58.200 0.138 0.000 0.991 19 S CB -0.386 62.884 63.200 0.117 0.000 0.823 19 S HN 0.552 nan 8.310 nan 0.000 0.469 20 D N 0.547 121.051 120.400 0.174 0.000 2.162 20 D HA 0.018 4.658 4.640 -0.000 0.000 0.203 20 D C 1.588 177.910 176.300 0.037 0.000 0.967 20 D CA 0.505 54.604 54.000 0.166 0.000 0.840 20 D CB -0.356 40.604 40.800 0.267 0.000 0.972 20 D HN 0.379 nan 8.370 nan 0.000 0.482 21 F N 2.363 122.337 119.950 0.039 0.000 2.095 21 F HA -0.209 4.317 4.527 -0.000 0.000 0.298 21 F C 1.910 177.730 175.800 0.033 0.000 1.104 21 F CA 1.347 59.419 58.000 0.121 0.000 1.232 21 F CB -0.160 38.931 39.000 0.153 0.000 0.987 21 F HN -0.142 nan 8.300 nan 0.000 0.475 22 N N 0.521 119.338 118.700 0.194 0.000 2.084 22 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 22 N C 1.960 177.377 175.510 -0.156 0.000 1.030 22 N CA 1.683 54.729 53.050 -0.006 0.000 0.849 22 N CB -0.604 37.900 38.487 0.028 0.000 1.012 22 N HN 0.558 nan 8.380 nan 0.000 0.423 23 E N 0.076 120.218 120.200 -0.098 0.000 2.110 23 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 23 E C 1.868 178.326 176.600 -0.237 0.000 0.988 23 E CA 0.597 56.946 56.400 -0.085 0.000 0.804 23 E CB -0.116 29.645 29.700 0.101 0.000 0.745 23 E HN 0.247 nan 8.360 nan 0.000 0.458 24 F N 1.391 120.918 119.950 -0.704 0.000 2.051 24 F HA -0.211 4.316 4.527 -0.000 0.000 0.296 24 F C 2.011 177.463 175.800 -0.580 0.000 1.122 24 F CA 1.340 58.833 58.000 -0.846 0.000 1.201 24 F CB -0.231 38.088 39.000 -1.134 0.000 0.978 24 F HN 0.024 nan 8.300 nan 0.000 0.472 25 I N 0.808 120.936 120.570 -0.736 0.000 2.361 25 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 25 I C 2.426 178.242 176.117 -0.502 0.000 1.133 25 I CA 1.506 62.359 61.300 -0.744 0.000 1.413 25 I CB -1.540 36.022 38.000 -0.730 0.000 1.073 25 I HN 0.446 nan 8.210 nan 0.000 0.424 26 Q N 0.891 120.461 119.800 -0.383 0.000 2.061 26 Q HA -0.243 4.096 4.340 -0.000 0.000 0.204 26 Q C 1.675 177.525 176.000 -0.250 0.000 0.984 26 Q CA 1.988 57.632 55.803 -0.265 0.000 0.846 26 Q CB 0.073 28.696 28.738 -0.192 0.000 0.902 26 Q HN 0.429 nan 8.270 nan 0.000 0.421 27 D N 0.377 120.611 120.400 -0.277 0.000 2.144 27 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 27 D C 1.931 178.055 176.300 -0.293 0.000 0.984 27 D CA 0.787 54.647 54.000 -0.233 0.000 0.834 27 D CB -0.039 40.660 40.800 -0.168 0.000 0.955 27 D HN 0.326 nan 8.370 nan 0.000 0.465 28 I N 1.105 121.397 120.570 -0.463 0.000 2.252 28 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 28 I C 2.510 178.464 176.117 -0.273 0.000 1.102 28 I CA 0.654 61.697 61.300 -0.428 0.000 1.385 28 I CB -0.852 36.783 38.000 -0.609 0.000 1.064 28 I HN 0.027 nan 8.210 nan 0.000 0.414 29 I N 0.735 121.153 120.570 -0.254 0.000 2.361 29 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 29 I C 2.523 178.563 176.117 -0.128 0.000 1.133 29 I CA 0.927 62.126 61.300 -0.169 0.000 1.413 29 I CB -0.391 37.518 38.000 -0.151 0.000 1.073 29 I HN 0.212 nan 8.210 nan 0.000 0.424 30 R N 0.776 121.197 120.500 -0.133 0.000 2.115 30 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 30 R C 2.041 178.289 176.300 -0.088 0.000 1.100 30 R CA 1.198 57.241 56.100 -0.096 0.000 0.980 30 R CB -0.785 29.462 30.300 -0.089 0.000 0.875 30 R HN 0.411 nan 8.270 nan 0.000 0.445 31 I N 0.650 121.154 120.570 -0.109 0.000 2.185 31 I HA -0.162 4.008 4.170 -0.000 0.000 0.235 31 I C 2.178 178.245 176.117 -0.083 0.000 1.069 31 I CA 1.168 62.412 61.300 -0.094 0.000 1.354 31 I CB -0.398 37.535 38.000 -0.112 0.000 1.093 31 I HN -0.071 nan 8.210 nan 0.000 0.411 32 V N -0.583 119.273 119.914 -0.097 0.000 3.461 32 V HA 0.389 4.509 4.120 -0.000 0.000 0.267 32 V C 0.906 176.960 176.094 -0.066 0.000 1.186 32 V CA 0.131 62.383 62.300 -0.079 0.000 1.154 32 V CB -1.395 30.376 31.823 -0.086 0.000 0.802 32 V HN 0.610 nan 8.190 nan 0.000 0.474 33 G N 1.040 109.797 108.800 -0.071 0.000 2.728 33 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 33 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 33 G C 0.522 175.389 174.900 -0.054 0.000 1.337 33 G CA 0.390 45.457 45.100 -0.055 0.000 0.861 33 G HN 1.454 nan 8.290 nan 0.000 0.597 34 S N 0.212 115.885 115.700 -0.045 0.000 2.402 34 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 34 S C 1.799 176.387 174.600 -0.021 0.000 1.030 34 S CA 2.231 60.410 58.200 -0.035 0.000 1.003 34 S CB -0.226 62.961 63.200 -0.021 0.000 0.813 34 S HN 0.848 nan 8.310 nan 0.000 0.477 35 E N 2.445 122.635 120.200 -0.017 0.000 2.118 35 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 35 E C 1.901 178.495 176.600 -0.010 0.000 0.992 35 E CA 1.387 57.782 56.400 -0.008 0.000 0.804 35 E CB -0.427 29.268 29.700 -0.008 0.000 0.741 35 E HN 0.574 nan 8.360 nan 0.000 0.458 36 N N 0.117 118.803 118.700 -0.024 0.000 2.300 36 N HA -0.018 4.722 4.740 -0.000 0.000 0.179 36 N C 0.278 175.768 175.510 -0.032 0.000 1.016 36 N CA 0.365 53.397 53.050 -0.030 0.000 0.876 36 N CB 0.138 38.599 38.487 -0.042 0.000 0.979 36 N HN 0.018 nan 8.380 nan 0.000 0.432 37 V N 0.837 120.726 119.914 -0.042 0.000 3.036 37 V HA 0.280 4.400 4.120 -0.000 0.000 0.308 37 V C 0.305 176.399 176.094 -0.000 0.000 1.070 37 V CA -0.546 61.728 62.300 -0.043 0.000 1.056 37 V CB 1.562 33.335 31.823 -0.084 0.000 1.084 37 V HN 0.170 nan 8.190 nan 0.000 0.471 38 E N 1.191 121.406 120.200 0.026 0.000 2.539 38 E HA 0.356 4.706 4.350 -0.000 0.000 0.332 38 E C -1.931 174.733 176.600 0.107 0.000 0.910 38 E CA -0.346 56.093 56.400 0.065 0.000 0.785 38 E CB 1.772 31.516 29.700 0.074 0.000 1.406 38 E HN 0.419 nan 8.360 nan 0.000 0.391 39 V N 5.306 125.298 119.914 0.130 0.000 2.607 39 V HA 0.327 4.447 4.120 -0.000 0.000 0.289 39 V C 0.590 176.773 176.094 0.148 0.000 1.053 39 V CA -0.326 62.092 62.300 0.196 0.000 0.996 39 V CB 1.338 33.315 31.823 0.257 0.000 0.995 39 V HN 0.639 nan 8.190 nan 0.000 0.476 40 I N 3.712 124.367 120.570 0.143 0.000 2.282 40 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 40 I C 1.015 177.163 176.117 0.052 0.000 1.090 40 I CA 0.251 61.607 61.300 0.094 0.000 1.231 40 I CB 0.939 38.997 38.000 0.097 0.000 1.434 40 I HN 0.668 nan 8.210 nan 0.000 0.487 41 S N 2.691 118.422 115.700 0.052 0.000 2.458 41 S HA 0.062 4.532 4.470 -0.000 0.000 0.223 41 S C 0.674 175.282 174.600 0.014 0.000 1.019 41 S CA 0.161 58.381 58.200 0.033 0.000 0.937 41 S CB 0.162 63.395 63.200 0.055 0.000 0.788 41 S HN 0.783 nan 8.310 nan 0.000 0.511 42 S N -0.231 115.478 115.700 0.016 0.000 2.625 42 S HA 0.480 4.949 4.470 -0.000 0.000 0.271 42 S C -0.013 174.584 174.600 -0.004 0.000 1.161 42 S CA -0.982 57.219 58.200 0.002 0.000 0.820 42 S CB 1.352 64.556 63.200 0.006 0.000 1.137 42 S HN 0.002 nan 8.310 nan 0.000 0.470 43 K N 0.371 120.762 120.400 -0.015 0.000 2.113 43 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 43 K C 0.642 177.234 176.600 -0.015 0.000 1.047 43 K CA 1.891 58.162 56.287 -0.026 0.000 0.928 43 K CB -0.414 32.069 32.500 -0.027 0.000 0.716 43 K HN 0.552 nan 8.250 nan 0.000 0.446 44 D N 0.978 121.378 120.400 -0.000 0.000 2.351 44 D HA -0.134 4.506 4.640 -0.000 0.000 0.216 44 D C 1.609 177.921 176.300 0.021 0.000 0.968 44 D CA 1.006 55.012 54.000 0.010 0.000 0.899 44 D CB -0.001 40.807 40.800 0.013 0.000 0.907 44 D HN 0.368 nan 8.370 nan 0.000 0.514 45 Q N -0.195 119.617 119.800 0.021 0.000 2.331 45 Q HA 0.120 4.460 4.340 -0.000 0.000 0.203 45 Q C 1.469 177.495 176.000 0.042 0.000 0.944 45 Q CA 0.243 56.070 55.803 0.040 0.000 0.892 45 Q CB 0.369 29.136 28.738 0.048 0.000 0.983 45 Q HN 0.346 nan 8.270 nan 0.000 0.482 46 I N 2.514 123.076 120.570 -0.013 0.000 3.518 46 I HA -0.029 4.140 4.170 -0.000 0.000 0.305 46 I C 0.452 176.553 176.117 -0.026 0.000 1.204 46 I CA -0.297 60.937 61.300 -0.111 0.000 1.211 46 I CB -0.672 37.194 38.000 -0.224 0.000 1.018 46 I HN -0.033 nan 8.210 nan 0.000 0.500 47 V N -1.608 118.369 119.914 0.105 0.000 2.521 47 V HA 0.155 4.275 4.120 -0.000 0.000 0.286 47 V C 0.087 176.351 176.094 0.284 0.000 1.034 47 V CA -0.487 61.905 62.300 0.154 0.000 1.045 47 V CB 0.547 32.431 31.823 0.102 0.000 0.974 47 V HN 0.089 nan 8.190 nan 0.000 0.480 48 D N 5.069 125.634 120.400 0.276 0.000 2.336 48 D HA 0.383 5.022 4.640 -0.000 0.000 0.249 48 D C 0.875 177.255 176.300 0.133 0.000 1.213 48 D CA 0.801 54.960 54.000 0.266 0.000 0.870 48 D CB 1.474 42.447 40.800 0.289 0.000 1.076 48 D HN 0.849 nan 8.370 nan 0.000 0.483 49 G N 1.638 110.483 108.800 0.074 0.000 2.519 49 G HA2 0.206 4.166 3.960 -0.000 0.000 0.161 49 G HA3 0.206 4.166 3.960 -0.000 0.000 0.161 49 G C 0.160 175.082 174.900 0.038 0.000 1.671 49 G CA 0.119 45.238 45.100 0.031 0.000 1.028 49 G HN 0.485 nan 8.290 nan 0.000 0.486 50 S N -3.828 111.884 115.700 0.020 0.000 2.638 50 S HA 0.343 4.812 4.470 -0.000 0.000 0.274 50 S C 0.322 174.957 174.600 0.058 0.000 1.157 50 S CA -0.394 57.834 58.200 0.046 0.000 0.826 50 S CB 1.086 64.298 63.200 0.020 0.000 1.139 50 S HN 0.516 nan 8.310 nan 0.000 0.474 51 Y N 2.225 122.513 120.300 -0.021 0.000 2.293 51 Y HA -0.013 4.537 4.550 -0.001 0.000 0.291 51 Y C 1.926 177.809 175.900 -0.028 0.000 1.137 51 Y CA 1.871 59.967 58.100 -0.007 0.000 1.202 51 Y CB -0.011 38.453 38.460 0.006 0.000 0.990 51 Y HN 0.585 nan 8.280 nan 0.000 0.537 52 M N 0.211 119.849 119.600 0.063 0.000 2.394 52 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 52 M C -0.179 176.067 176.300 -0.090 0.000 1.073 52 M CA 1.466 56.733 55.300 -0.054 0.000 1.111 52 M CB -0.479 32.071 32.600 -0.083 0.000 1.401 52 M HN 0.111 nan 8.290 nan 0.000 0.448 53 K N 0.525 120.876 120.400 -0.081 0.000 2.832 53 K HA 0.294 4.614 4.320 -0.000 0.000 0.243 53 K C -2.628 173.904 176.600 -0.114 0.000 1.117 53 K CA -1.212 55.023 56.287 -0.086 0.000 1.068 53 K CB 1.727 34.196 32.500 -0.052 0.000 1.286 53 K HN -0.080 nan 8.250 nan 0.000 0.553 54 P HA 0.001 nan 4.420 nan 0.000 0.275 54 P C -0.208 176.870 177.300 -0.369 0.000 1.227 54 P CA -0.161 62.795 63.100 -0.241 0.000 0.781 54 P CB 1.122 32.666 31.700 -0.261 0.000 0.906 55 T N 1.518 115.916 114.554 -0.260 0.000 2.780 55 T HA 0.163 4.513 4.350 -0.000 0.000 0.294 55 T C 0.782 175.342 174.700 -0.234 0.000 0.949 55 T CA 0.003 61.975 62.100 -0.213 0.000 1.074 55 T CB -0.305 68.513 68.868 -0.083 0.000 0.910 55 T HN 0.344 nan 8.240 nan 0.000 0.501 56 H N 1.902 121.003 119.070 0.051 0.000 2.548 56 H HA 0.114 4.670 4.556 -0.000 0.000 0.265 56 H C 2.265 177.659 175.328 0.110 0.000 0.969 56 H CA 0.893 56.983 56.048 0.069 0.000 1.155 56 H CB 0.505 30.310 29.762 0.072 0.000 1.394 56 H HN 0.702 nan 8.280 nan 0.000 0.570 57 T N -1.393 113.309 114.554 0.247 0.000 3.043 57 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 57 T C 0.709 175.631 174.700 0.370 0.000 1.094 57 T CA 0.634 62.916 62.100 0.304 0.000 1.127 57 T CB 0.113 69.179 68.868 0.330 0.000 0.905 57 T HN 0.561 nan 8.240 nan 0.000 0.490 58 H N -1.427 117.724 119.070 0.135 0.000 2.865 58 H HA 0.420 4.975 4.556 -0.000 0.000 0.265 58 H C -2.078 173.354 175.328 0.173 0.000 1.477 58 H CA -0.835 55.307 56.048 0.158 0.000 1.157 58 H CB 0.286 30.152 29.762 0.172 0.000 1.858 58 H HN 0.060 nan 8.280 nan 0.000 0.594 59 D N 1.361 121.868 120.400 0.178 0.000 2.343 59 D HA 0.245 4.885 4.640 -0.000 0.000 0.255 59 D C -1.689 174.718 176.300 0.178 0.000 1.187 59 D CA -2.110 51.989 54.000 0.166 0.000 0.875 59 D CB 1.374 42.410 40.800 0.392 0.000 1.136 59 D HN 0.124 nan 8.370 nan 0.000 0.469 60 P HA -0.049 nan 4.420 nan 0.000 0.218 60 P C 0.241 177.746 177.300 0.342 0.000 1.152 60 P CA 0.942 64.156 63.100 0.191 0.000 0.826 60 P CB 0.204 31.984 31.700 0.133 0.000 0.790 61 H N -2.043 117.054 119.070 0.046 0.000 2.567 61 H HA 0.070 4.625 4.556 -0.000 0.000 0.294 61 H C 0.053 175.462 175.328 0.135 0.000 1.050 61 H CA -0.817 55.229 56.048 -0.004 0.000 1.168 61 H CB -2.120 27.703 29.762 0.101 0.000 1.422 61 H HN 0.366 nan 8.280 nan 0.000 0.562 62 H N -1.086 118.257 119.070 0.455 0.000 3.221 62 H HA -0.020 4.535 4.556 -0.000 0.000 0.272 62 H C 1.314 176.875 175.328 0.388 0.000 0.865 62 H CA 0.346 56.648 56.048 0.423 0.000 1.419 62 H CB 0.206 30.184 29.762 0.360 0.000 1.377 62 H HN 0.128 nan 8.280 nan 0.000 0.535 63 V N 0.864 120.972 119.914 0.323 0.000 2.599 63 V HA 0.031 4.151 4.120 -0.000 0.000 0.245 63 V C 1.313 177.477 176.094 0.116 0.000 1.046 63 V CA 0.521 62.853 62.300 0.054 0.000 1.065 63 V CB -0.346 31.399 31.823 -0.129 0.000 0.703 63 V HN 0.672 nan 8.190 nan 0.000 0.464 64 M N 0.658 120.342 119.600 0.140 0.000 1.960 64 M HA 0.317 4.797 4.480 -0.000 0.000 0.229 64 M C -0.083 176.305 176.300 0.148 0.000 1.234 64 M CA -0.593 54.740 55.300 0.055 0.000 0.952 64 M CB -0.001 32.476 32.600 -0.205 0.000 1.294 64 M HN 0.124 nan 8.290 nan 0.000 0.514 65 D N 1.310 121.780 120.400 0.116 0.000 2.449 65 D HA -0.071 4.569 4.640 -0.000 0.000 0.236 65 D C 0.611 176.927 176.300 0.027 0.000 1.149 65 D CA 0.269 54.316 54.000 0.079 0.000 0.878 65 D CB 0.528 41.383 40.800 0.092 0.000 1.198 65 D HN 0.517 nan 8.370 nan 0.000 0.446 66 Q N 1.158 120.836 119.800 -0.204 0.000 2.061 66 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 66 Q C 0.673 176.631 176.000 -0.070 0.000 0.984 66 Q CA 1.502 57.088 55.803 -0.361 0.000 0.846 66 Q CB 0.142 28.562 28.738 -0.529 0.000 0.902 66 Q HN 0.547 nan 8.270 nan 0.000 0.421 67 D N -0.742 119.608 120.400 -0.083 0.000 2.324 67 D HA -0.117 4.522 4.640 -0.000 0.000 0.235 67 D C 1.144 177.437 176.300 -0.011 0.000 1.095 67 D CA -0.046 53.918 54.000 -0.060 0.000 0.871 67 D CB -0.404 40.337 40.800 -0.097 0.000 0.906 67 D HN 0.327 nan 8.370 nan 0.000 0.522 68 Y N 1.242 121.482 120.300 -0.101 0.000 2.062 68 Y HA 0.024 4.574 4.550 -0.001 0.000 0.272 68 Y C 0.241 176.002 175.900 -0.232 0.000 1.117 68 Y CA 1.036 58.995 58.100 -0.236 0.000 1.095 68 Y CB -0.264 37.956 38.460 -0.400 0.000 0.985 68 Y HN -0.189 nan 8.280 nan 0.000 0.479 69 F N 2.673 122.890 119.950 0.445 0.000 2.404 69 F HA 0.435 4.962 4.527 -0.000 0.000 0.358 69 F C -0.325 175.572 175.800 0.161 0.000 1.120 69 F CA -0.637 57.520 58.000 0.262 0.000 1.144 69 F CB 0.567 39.666 39.000 0.164 0.000 1.133 69 F HN 0.036 nan 8.300 nan 0.000 0.495 70 L N 0.724 122.100 121.223 0.255 0.000 2.591 70 L HA 0.921 5.261 4.340 -0.000 0.000 0.257 70 L C -0.976 175.986 176.870 0.153 0.000 0.935 70 L CA -1.311 53.648 54.840 0.200 0.000 0.873 70 L CB 1.388 43.536 42.059 0.148 0.000 1.397 70 L HN 0.531 nan 8.230 nan 0.000 0.414 71 A N 1.596 124.514 122.820 0.164 0.000 2.366 71 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 71 A C 1.149 178.847 177.584 0.191 0.000 1.084 71 A CA 0.219 52.365 52.037 0.182 0.000 0.794 71 A CB 0.715 19.833 19.000 0.196 0.000 1.034 71 A HN 1.160 nan 8.150 nan 0.000 0.491 72 S N 0.225 116.085 115.700 0.265 0.000 2.439 72 S HA 0.477 4.947 4.470 -0.000 0.000 0.224 72 S C 0.718 175.527 174.600 0.349 0.000 1.029 72 S CA 0.784 59.162 58.200 0.296 0.000 0.946 72 S CB -0.329 63.179 63.200 0.514 0.000 0.797 72 S HN 2.065 nan 8.310 nan 0.000 0.504 73 A N 0.059 123.076 122.820 0.330 0.000 2.493 73 A HA 0.777 5.097 4.320 -0.000 0.000 0.300 73 A C -1.796 175.896 177.584 0.180 0.000 1.152 73 A CA -0.924 51.264 52.037 0.253 0.000 0.643 73 A CB 0.436 19.592 19.000 0.260 0.000 1.316 73 A HN 0.311 nan 8.150 nan 0.000 0.469 74 I N -0.143 120.499 120.570 0.120 0.000 2.686 74 I HA 0.606 4.775 4.170 -0.000 0.000 0.295 74 I C -1.375 174.758 176.117 0.027 0.000 1.114 74 I CA -1.004 60.347 61.300 0.086 0.000 1.038 74 I CB 2.361 40.419 38.000 0.098 0.000 1.238 74 I HN 0.363 nan 8.210 nan 0.000 0.420 75 V N 3.816 123.730 119.914 0.000 0.000 2.612 75 V HA 0.532 4.651 4.120 -0.000 0.000 0.301 75 V C -0.250 175.815 176.094 -0.048 0.000 1.059 75 V CA -0.624 61.652 62.300 -0.040 0.000 0.886 75 V CB 1.855 33.637 31.823 -0.068 0.000 1.007 75 V HN 0.817 nan 8.190 nan 0.000 0.426 76 A N 6.913 129.701 122.820 -0.053 0.000 2.294 76 A HA 0.836 5.155 4.320 -0.000 0.000 0.316 76 A C -2.682 174.869 177.584 -0.055 0.000 1.359 76 A CA -1.561 50.442 52.037 -0.057 0.000 0.956 76 A CB 0.396 19.366 19.000 -0.050 0.000 1.155 76 A HN 0.569 nan 8.150 nan 0.000 0.544 77 P HA 0.225 nan 4.420 nan 0.000 0.275 77 P C 0.540 177.814 177.300 -0.044 0.000 1.228 77 P CA -0.269 62.800 63.100 -0.052 0.000 0.786 77 P CB 0.790 32.460 31.700 -0.049 0.000 0.927 78 R N 1.792 122.268 120.500 -0.041 0.000 2.119 78 R HA 0.050 4.390 4.340 -0.000 0.000 0.222 78 R C 0.793 177.077 176.300 -0.028 0.000 1.088 78 R CA 0.991 57.071 56.100 -0.032 0.000 0.984 78 R CB -0.300 29.981 30.300 -0.030 0.000 0.884 78 R HN 0.645 nan 8.270 nan 0.000 0.447 79 N N -2.683 115.999 118.700 -0.030 0.000 3.261 79 N HA -0.040 4.700 4.740 -0.000 0.000 0.248 79 N C 0.563 176.055 175.510 -0.030 0.000 1.498 79 N CA -0.513 52.521 53.050 -0.026 0.000 0.884 79 N CB 0.723 39.198 38.487 -0.020 0.000 1.428 79 N HN -0.273 nan 8.380 nan 0.000 0.517 80 V N 0.611 120.508 119.914 -0.028 0.000 2.313 80 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 80 V C 2.672 178.745 176.094 -0.035 0.000 1.070 80 V CA 3.208 65.489 62.300 -0.033 0.000 1.057 80 V CB -1.451 30.353 31.823 -0.032 0.000 0.653 80 V HN 0.855 nan 8.190 nan 0.000 0.450 81 A N -0.228 122.573 122.820 -0.032 0.000 1.908 81 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 81 A C 1.983 179.546 177.584 -0.034 0.000 1.181 81 A CA 2.129 54.147 52.037 -0.032 0.000 0.627 81 A CB -0.640 18.342 19.000 -0.029 0.000 0.818 81 A HN 0.575 nan 8.150 nan 0.000 0.445 82 D N -0.262 120.116 120.400 -0.037 0.000 2.117 82 D HA -0.100 4.539 4.640 -0.000 0.000 0.197 82 D C 2.079 178.354 176.300 -0.042 0.000 0.987 82 D CA 1.420 55.393 54.000 -0.044 0.000 0.829 82 D CB -0.524 40.246 40.800 -0.049 0.000 0.961 82 D HN 0.236 nan 8.370 nan 0.000 0.460 83 V N 1.047 120.937 119.914 -0.039 0.000 2.295 83 V HA -0.275 3.844 4.120 -0.000 0.000 0.246 83 V C 2.503 178.581 176.094 -0.026 0.000 1.049 83 V CA 1.665 63.944 62.300 -0.035 0.000 1.024 83 V CB -0.595 31.204 31.823 -0.041 0.000 0.648 83 V HN 0.213 nan 8.190 nan 0.000 0.447 84 Q N -0.190 119.592 119.800 -0.029 0.000 2.096 84 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 84 Q C 2.500 178.492 176.000 -0.012 0.000 0.982 84 Q CA 2.037 57.826 55.803 -0.022 0.000 0.850 84 Q CB -0.272 28.450 28.738 -0.027 0.000 0.901 84 Q HN 0.627 nan 8.270 nan 0.000 0.422 85 S N 0.678 116.367 115.700 -0.019 0.000 2.355 85 S HA -0.082 4.388 4.470 -0.000 0.000 0.222 85 S C 1.977 176.574 174.600 -0.005 0.000 1.031 85 S CA 0.850 59.040 58.200 -0.016 0.000 0.993 85 S CB -0.180 63.001 63.200 -0.032 0.000 0.859 85 S HN 0.283 nan 8.310 nan 0.000 0.453 86 I N 1.336 121.895 120.570 -0.018 0.000 2.208 86 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 86 I C 2.206 178.367 176.117 0.074 0.000 1.097 86 I CA 0.904 62.201 61.300 -0.005 0.000 1.363 86 I CB -0.581 37.404 38.000 -0.024 0.000 1.051 86 I HN 0.137 nan 8.210 nan 0.000 0.413 87 V N 1.233 121.177 119.914 0.049 0.000 2.332 87 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 87 V C 2.626 178.770 176.094 0.083 0.000 1.055 87 V CA 2.312 64.650 62.300 0.064 0.000 1.038 87 V CB -1.426 30.412 31.823 0.026 0.000 0.651 87 V HN 0.597 nan 8.190 nan 0.000 0.450 88 G N -0.411 108.426 108.800 0.061 0.000 2.440 88 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.218 88 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.218 88 G C 1.562 176.529 174.900 0.112 0.000 1.154 88 G CA 1.027 46.164 45.100 0.062 0.000 0.767 88 G HN 0.477 nan 8.290 nan 0.000 0.552 89 L N 0.559 121.882 121.223 0.168 0.000 2.056 89 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 89 L C 3.430 180.583 176.870 0.471 0.000 1.078 89 L CA 0.915 55.949 54.840 0.324 0.000 0.749 89 L CB -0.530 41.722 42.059 0.321 0.000 0.901 89 L HN 0.300 nan 8.230 nan 0.000 0.433 90 A N 0.720 123.780 122.820 0.401 0.000 1.948 90 A HA -0.274 4.045 4.320 -0.000 0.000 0.220 90 A C 1.988 179.696 177.584 0.208 0.000 1.177 90 A CA 2.417 54.626 52.037 0.285 0.000 0.636 90 A CB -0.917 18.208 19.000 0.209 0.000 0.815 90 A HN 0.554 nan 8.150 nan 0.000 0.449 91 N N -0.800 117.990 118.700 0.150 0.000 2.188 91 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 91 N C 1.854 177.392 175.510 0.047 0.000 1.018 91 N CA 1.382 54.484 53.050 0.086 0.000 0.858 91 N CB -0.165 38.354 38.487 0.052 0.000 0.989 91 N HN 0.608 nan 8.380 nan 0.000 0.426 92 K N 0.592 121.007 120.400 0.025 0.000 2.032 92 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 92 K C 0.943 177.377 176.600 -0.276 0.000 1.048 92 K CA 1.398 57.584 56.287 -0.170 0.000 0.927 92 K CB -0.074 32.257 32.500 -0.282 0.000 0.712 92 K HN 0.135 nan 8.250 nan 0.000 0.441 93 F N 0.454 120.450 119.950 0.076 0.000 2.743 93 F HA 0.159 4.686 4.527 -0.001 0.000 0.297 93 F C 0.884 176.693 175.800 0.016 0.000 1.131 93 F CA 0.232 58.262 58.000 0.050 0.000 1.426 93 F CB 0.402 39.435 39.000 0.055 0.000 1.116 93 F HN -0.098 nan 8.300 nan 0.000 0.583 94 S N -0.170 115.627 115.700 0.162 0.000 3.672 94 S HA -0.256 4.214 4.470 -0.000 0.000 0.319 94 S C 0.038 174.695 174.600 0.095 0.000 1.151 94 S CA -0.086 58.175 58.200 0.102 0.000 0.911 94 S CB -2.254 60.976 63.200 0.050 0.000 0.939 94 S HN 0.302 nan 8.310 nan 0.000 0.524 95 F N 3.674 123.589 119.950 -0.060 0.000 2.427 95 F HA 0.418 4.944 4.527 -0.000 0.000 0.352 95 F C -1.915 173.849 175.800 -0.059 0.000 1.100 95 F CA -1.865 56.032 58.000 -0.172 0.000 1.191 95 F CB 0.713 39.331 39.000 -0.638 0.000 1.128 95 F HN -0.069 nan 8.300 nan 0.000 0.533 96 P HA 0.216 nan 4.420 nan 0.000 0.281 96 P C -0.885 176.609 177.300 0.324 0.000 1.252 96 P CA -0.004 63.228 63.100 0.220 0.000 0.778 96 P CB 1.108 32.882 31.700 0.124 0.000 0.895 97 L N 2.834 124.197 121.223 0.233 0.000 2.352 97 L HA 0.582 4.922 4.340 -0.000 0.000 0.269 97 L C 0.036 177.059 176.870 0.256 0.000 1.034 97 L CA -0.551 54.421 54.840 0.219 0.000 0.806 97 L CB 1.786 43.921 42.059 0.127 0.000 1.244 97 L HN 0.470 nan 8.230 nan 0.000 0.447 98 W N 4.121 125.438 121.300 0.028 0.000 2.822 98 W HA 0.318 4.978 4.660 -0.000 0.000 0.317 98 W C -2.953 173.560 176.519 -0.011 0.000 1.033 98 W CA -1.423 55.917 57.345 -0.008 0.000 1.252 98 W CB 1.949 31.412 29.460 0.006 0.000 1.186 98 W HN 0.198 nan 8.180 nan 0.000 0.383 99 P HA 0.490 nan 4.420 nan 0.000 0.277 99 P C -0.550 176.610 177.300 -0.233 0.000 1.240 99 P CA 0.104 63.078 63.100 -0.210 0.000 0.798 99 P CB 1.801 33.361 31.700 -0.233 0.000 0.979 100 I N -3.091 117.417 120.570 -0.103 0.000 2.828 100 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 100 I C -0.149 175.935 176.117 -0.055 0.000 1.459 100 I CA -0.638 60.629 61.300 -0.054 0.000 1.015 100 I CB 1.729 39.761 38.000 0.054 0.000 1.345 100 I HN 0.008 nan 8.210 nan 0.000 0.449 101 S N 3.359 119.037 115.700 -0.038 0.000 2.370 101 S HA 0.303 4.773 4.470 -0.000 0.000 0.214 101 S C 1.320 175.916 174.600 -0.008 0.000 1.033 101 S CA 0.618 58.797 58.200 -0.035 0.000 0.941 101 S CB 0.135 63.315 63.200 -0.034 0.000 0.886 101 S HN 0.687 nan 8.310 nan 0.000 0.521 102 I N 0.291 120.881 120.570 0.034 0.000 3.172 102 I HA 0.239 4.408 4.170 -0.000 0.000 0.278 102 I C 2.004 178.219 176.117 0.165 0.000 1.174 102 I CA 1.227 62.576 61.300 0.081 0.000 1.445 102 I CB -1.161 36.878 38.000 0.065 0.000 1.175 102 I HN 0.544 nan 8.210 nan 0.000 0.447 103 G N 1.251 110.141 108.800 0.150 0.000 2.195 103 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.246 103 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.246 103 G C 1.237 176.180 174.900 0.072 0.000 0.984 103 G CA 0.256 45.471 45.100 0.192 0.000 0.633 103 G HN 0.299 nan 8.290 nan 0.000 0.525 104 R N 0.432 120.958 120.500 0.043 0.000 2.357 104 R HA 0.098 4.437 4.340 -0.000 0.000 0.202 104 R C 1.557 177.926 176.300 0.116 0.000 1.047 104 R CA 0.581 56.687 56.100 0.010 0.000 1.034 104 R CB -0.375 29.846 30.300 -0.133 0.000 0.875 104 R HN 0.529 nan 8.270 nan 0.000 0.473 105 N N 1.731 120.508 118.700 0.129 0.000 2.523 105 N HA -0.062 4.678 4.740 -0.000 0.000 0.208 105 N C -0.424 175.207 175.510 0.201 0.000 1.313 105 N CA -0.303 52.864 53.050 0.194 0.000 0.853 105 N CB 0.217 38.798 38.487 0.158 0.000 1.090 105 N HN 0.162 nan 8.380 nan 0.000 0.463 106 S N -1.164 114.598 115.700 0.103 0.000 2.559 106 S HA 0.178 4.647 4.470 -0.000 0.000 0.282 106 S C 1.353 175.880 174.600 -0.120 0.000 1.336 106 S CA 0.235 58.380 58.200 -0.093 0.000 1.037 106 S CB 1.115 64.092 63.200 -0.373 0.000 0.853 106 S HN 0.416 nan 8.310 nan 0.000 0.523 107 G N 0.676 109.328 108.800 -0.246 0.000 2.159 107 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.256 107 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.256 107 G C -0.009 174.740 174.900 -0.252 0.000 0.977 107 G CA 0.548 45.395 45.100 -0.423 0.000 0.652 107 G HN 0.962 nan 8.290 nan 0.000 0.531 108 Y N -1.092 119.330 120.300 0.204 0.000 2.954 108 Y HA 0.436 4.986 4.550 -0.000 0.000 0.267 108 Y C 1.669 177.445 175.900 -0.206 0.000 1.093 108 Y CA -0.040 58.138 58.100 0.130 0.000 1.257 108 Y CB 0.779 39.297 38.460 0.097 0.000 1.317 108 Y HN 1.115 nan 8.280 nan 0.000 0.587 109 G N -0.420 108.278 108.800 -0.170 0.000 2.176 109 G HA2 0.007 3.967 3.960 -0.000 0.000 0.232 109 G HA3 0.007 3.967 3.960 -0.000 0.000 0.232 109 G C 1.051 175.896 174.900 -0.092 0.000 0.986 109 G CA 0.261 45.135 45.100 -0.377 0.000 0.643 109 G HN 1.171 nan 8.290 nan 0.000 0.522 110 G N 0.191 108.989 108.800 -0.002 0.000 2.594 110 G HA2 0.110 4.070 3.960 -0.000 0.000 0.297 110 G HA3 0.110 4.070 3.960 -0.000 0.000 0.297 110 G C 1.431 176.371 174.900 0.068 0.000 1.273 110 G CA 2.341 47.452 45.100 0.018 0.000 0.974 110 G HN 1.939 nan 8.290 nan 0.000 0.552 111 A N 0.195 123.060 122.820 0.075 0.000 2.206 111 A HA 0.621 4.941 4.320 -0.000 0.000 0.211 111 A C 1.806 179.449 177.584 0.099 0.000 1.158 111 A CA 1.832 53.965 52.037 0.161 0.000 0.761 111 A CB -0.759 18.377 19.000 0.226 0.000 0.801 111 A HN 2.418 nan 8.150 nan 0.000 0.473 112 A N 1.325 124.138 122.820 -0.012 0.000 2.498 112 A HA 0.495 4.814 4.320 -0.000 0.000 0.239 112 A C -2.309 174.927 177.584 -0.580 0.000 1.068 112 A CA -0.922 51.042 52.037 -0.122 0.000 0.766 112 A CB -0.105 18.901 19.000 0.009 0.000 1.003 112 A HN 0.303 nan 8.150 nan 0.000 0.497 113 P HA 0.310 nan 4.420 nan 0.000 0.286 113 P C 0.314 177.047 177.300 -0.946 0.000 1.261 113 P CA -0.579 61.635 63.100 -1.477 0.000 0.821 113 P CB 1.398 32.714 31.700 -0.641 0.000 1.013 114 R N 2.639 122.427 120.500 -1.187 0.000 2.070 114 R HA -0.044 4.295 4.340 -0.000 0.000 0.233 114 R C 0.397 176.767 176.300 0.117 0.000 1.137 114 R CA 1.409 57.229 56.100 -0.466 0.000 0.945 114 R CB -1.215 28.863 30.300 -0.371 0.000 0.845 114 R HN 0.361 nan 8.270 nan 0.000 0.430 115 V N 1.494 121.410 119.914 0.003 0.000 2.406 115 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 115 V C -0.550 175.633 176.094 0.149 0.000 1.043 115 V CA -0.512 61.870 62.300 0.138 0.000 0.915 115 V CB 1.366 33.120 31.823 -0.115 0.000 0.988 115 V HN 0.428 nan 8.190 nan 0.000 0.466 116 S N 4.760 120.610 115.700 0.250 0.000 2.584 116 S HA 0.515 4.985 4.470 -0.000 0.000 0.270 116 S C 1.278 175.955 174.600 0.128 0.000 1.346 116 S CA 0.450 58.753 58.200 0.172 0.000 1.018 116 S CB 1.089 64.363 63.200 0.123 0.000 0.899 116 S HN 2.080 nan 8.310 nan 0.000 0.542 117 G N 1.328 110.200 108.800 0.121 0.000 2.179 117 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 117 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 117 G C 0.218 175.249 174.900 0.219 0.000 0.977 117 G CA 0.224 45.401 45.100 0.128 0.000 0.641 117 G HN 0.693 nan 8.290 nan 0.000 0.533 118 S N -0.433 115.395 115.700 0.213 0.000 2.576 118 S HA 0.475 4.945 4.470 -0.000 0.000 0.276 118 S C 0.757 175.609 174.600 0.421 0.000 1.339 118 S CA -0.247 58.147 58.200 0.323 0.000 1.039 118 S CB 1.950 65.285 63.200 0.225 0.000 0.902 118 S HN 0.624 nan 8.310 nan 0.000 0.516 119 V N 3.222 123.441 119.914 0.508 0.000 2.583 119 V HA 0.190 4.310 4.120 -0.000 0.000 0.287 119 V C 0.033 176.279 176.094 0.254 0.000 1.051 119 V CA -0.414 62.069 62.300 0.306 0.000 1.010 119 V CB 1.323 33.220 31.823 0.123 0.000 0.988 119 V HN 0.628 nan 8.190 nan 0.000 0.478 120 V N 6.639 126.678 119.914 0.208 0.000 2.364 120 V HA 0.283 4.403 4.120 -0.000 0.000 0.272 120 V C -0.088 176.073 176.094 0.111 0.000 1.036 120 V CA -0.580 61.844 62.300 0.207 0.000 0.880 120 V CB 1.274 33.224 31.823 0.212 0.000 0.991 120 V HN 0.558 nan 8.190 nan 0.000 0.460 121 L N 4.856 126.130 121.223 0.085 0.000 2.369 121 L HA 0.288 4.628 4.340 -0.000 0.000 0.279 121 L C 0.529 177.377 176.870 -0.035 0.000 1.108 121 L CA 0.398 55.244 54.840 0.010 0.000 0.852 121 L CB 0.284 42.337 42.059 -0.010 0.000 1.169 121 L HN 0.551 nan 8.230 nan 0.000 0.452 122 D N 4.124 124.478 120.400 -0.077 0.000 2.422 122 D HA 0.077 4.716 4.640 -0.000 0.000 0.227 122 D C 0.937 177.175 176.300 -0.104 0.000 1.190 122 D CA -0.227 53.682 54.000 -0.151 0.000 0.905 122 D CB 0.738 41.401 40.800 -0.229 0.000 1.034 122 D HN 0.324 nan 8.370 nan 0.000 0.507 123 M N 2.105 121.653 119.600 -0.087 0.000 2.254 123 M HA 0.039 4.519 4.480 -0.000 0.000 0.265 123 M C 2.032 178.294 176.300 -0.064 0.000 1.066 123 M CA 0.657 55.915 55.300 -0.070 0.000 1.123 123 M CB -1.029 31.529 32.600 -0.070 0.000 1.388 123 M HN 0.434 nan 8.290 nan 0.000 0.425 124 G N 0.451 109.210 108.800 -0.069 0.000 2.422 124 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.218 124 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.218 124 G C 1.731 176.609 174.900 -0.036 0.000 1.146 124 G CA 0.994 46.065 45.100 -0.048 0.000 0.769 124 G HN 0.463 nan 8.290 nan 0.000 0.547 125 K N 0.485 120.856 120.400 -0.049 0.000 1.987 125 K HA -0.176 4.144 4.320 -0.000 0.000 0.216 125 K C 2.231 178.821 176.600 -0.017 0.000 1.051 125 K CA 1.786 58.058 56.287 -0.025 0.000 0.942 125 K CB -0.189 32.292 32.500 -0.032 0.000 0.722 125 K HN 0.213 nan 8.250 nan 0.000 0.444 126 N N 0.077 118.762 118.700 -0.025 0.000 2.290 126 N HA -0.023 4.717 4.740 -0.000 0.000 0.179 126 N C 0.380 175.880 175.510 -0.018 0.000 1.016 126 N CA 0.835 53.874 53.050 -0.019 0.000 0.871 126 N CB 0.115 38.589 38.487 -0.022 0.000 0.987 126 N HN 0.272 nan 8.380 nan 0.000 0.431 127 M N 1.063 120.649 119.600 -0.024 0.000 2.923 127 M HA 0.167 4.647 4.480 -0.000 0.000 0.311 127 M C 0.660 176.945 176.300 -0.026 0.000 1.376 127 M CA 0.029 55.315 55.300 -0.024 0.000 1.468 127 M CB 0.113 32.695 32.600 -0.029 0.000 1.151 127 M HN 0.087 nan 8.290 nan 0.000 0.517 128 N N 0.867 119.556 118.700 -0.018 0.000 2.294 128 N HA 0.102 4.842 4.740 -0.000 0.000 0.186 128 N C -0.062 175.434 175.510 -0.024 0.000 1.107 128 N CA -0.210 52.831 53.050 -0.017 0.000 0.884 128 N CB 0.741 39.228 38.487 -0.001 0.000 1.030 128 N HN 0.512 nan 8.380 nan 0.000 0.482 129 R N 1.245 121.730 120.500 -0.025 0.000 2.538 129 R HA 0.074 4.413 4.340 -0.000 0.000 0.282 129 R C -0.357 175.889 176.300 -0.090 0.000 1.009 129 R CA 0.007 56.084 56.100 -0.038 0.000 1.063 129 R CB 1.010 31.299 30.300 -0.018 0.000 0.945 129 R HN -0.096 nan 8.270 nan 0.000 0.414 130 V N 6.371 126.199 119.914 -0.143 0.000 2.356 130 V HA 0.006 4.126 4.120 -0.000 0.000 0.258 130 V C 1.552 177.502 176.094 -0.239 0.000 1.065 130 V CA 0.098 62.224 62.300 -0.290 0.000 0.935 130 V CB 0.508 31.967 31.823 -0.606 0.000 1.061 130 V HN 0.748 nan 8.190 nan 0.000 0.484 131 L N 2.953 124.076 121.223 -0.166 0.000 2.201 131 L HA 0.151 4.491 4.340 -0.000 0.000 0.212 131 L C 1.035 177.846 176.870 -0.098 0.000 1.105 131 L CA 1.193 55.978 54.840 -0.091 0.000 0.775 131 L CB 0.035 42.067 42.059 -0.046 0.000 0.913 131 L HN 0.732 nan 8.230 nan 0.000 0.440 132 E N -1.174 118.920 120.200 -0.178 0.000 2.389 132 E HA 0.394 4.743 4.350 -0.000 0.000 0.281 132 E C -1.893 174.575 176.600 -0.220 0.000 1.072 132 E CA -0.465 55.846 56.400 -0.148 0.000 0.845 132 E CB 2.127 31.781 29.700 -0.077 0.000 1.239 132 E HN -0.260 nan 8.360 nan 0.000 0.434 133 V N 3.123 122.922 119.914 -0.192 0.000 2.733 133 V HA 0.517 4.637 4.120 -0.000 0.000 0.306 133 V C -0.912 175.026 176.094 -0.259 0.000 1.084 133 V CA -0.898 61.273 62.300 -0.215 0.000 0.905 133 V CB 2.006 33.795 31.823 -0.057 0.000 1.010 133 V HN 0.620 nan 8.190 nan 0.000 0.424 134 N N 3.286 121.714 118.700 -0.454 0.000 2.480 134 N HA 0.326 5.065 4.740 -0.000 0.000 0.289 134 N C 0.271 175.605 175.510 -0.294 0.000 1.073 134 N CA -0.325 52.473 53.050 -0.421 0.000 0.885 134 N CB 2.422 40.455 38.487 -0.756 0.000 1.421 134 N HN 0.273 nan 8.380 nan 0.000 0.503 135 V N 3.579 123.407 119.914 -0.142 0.000 2.453 135 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 135 V C 1.996 178.057 176.094 -0.055 0.000 1.048 135 V CA 1.599 63.852 62.300 -0.079 0.000 1.049 135 V CB -0.312 31.485 31.823 -0.043 0.000 0.672 135 V HN 0.672 nan 8.190 nan 0.000 0.457 136 E N 0.738 120.912 120.200 -0.043 0.000 2.072 136 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 136 E C 2.307 178.918 176.600 0.019 0.000 0.985 136 E CA 1.230 57.625 56.400 -0.009 0.000 0.801 136 E CB -0.395 29.309 29.700 0.007 0.000 0.750 136 E HN 0.630 nan 8.360 nan 0.000 0.452 137 G N 0.608 109.439 108.800 0.051 0.000 2.572 137 G HA2 0.087 4.046 3.960 -0.000 0.000 0.216 137 G HA3 0.087 4.046 3.960 -0.000 0.000 0.216 137 G C 0.822 175.846 174.900 0.206 0.000 1.133 137 G CA 0.284 45.518 45.100 0.224 0.000 0.791 137 G HN 0.316 nan 8.290 nan 0.000 0.538 138 A N -1.696 121.146 122.820 0.037 0.000 2.667 138 A HA 0.002 4.322 4.320 -0.000 0.000 0.298 138 A C 0.161 177.857 177.584 0.188 0.000 1.483 138 A CA 1.433 53.495 52.037 0.042 0.000 0.738 138 A CB -2.581 16.433 19.000 0.022 0.000 1.067 138 A HN 1.872 nan 8.150 nan 0.000 0.451 139 Y N -3.562 116.796 120.300 0.096 0.000 2.744 139 Y HA 0.756 5.306 4.550 -0.001 0.000 0.330 139 Y C 0.071 175.970 175.900 -0.001 0.000 1.263 139 Y CA -1.219 56.960 58.100 0.133 0.000 1.065 139 Y CB 0.155 38.770 38.460 0.258 0.000 1.306 139 Y HN 1.298 nan 8.280 nan 0.000 0.459 140 C N -0.384 119.016 119.300 0.167 0.000 3.340 140 C HA 0.964 5.424 4.460 -0.000 0.000 0.333 140 C C -1.371 173.578 174.990 -0.068 0.000 1.464 140 C CA -0.974 58.004 59.018 -0.066 0.000 1.337 140 C CB 1.441 29.098 27.740 -0.138 0.000 1.740 140 C HN 0.930 nan 8.230 nan 0.000 0.450 141 V N 0.274 120.058 119.914 -0.217 0.000 2.925 141 V HA 0.917 5.037 4.120 -0.000 0.000 0.311 141 V C -0.704 175.240 176.094 -0.252 0.000 1.104 141 V CA -0.368 61.728 62.300 -0.339 0.000 0.954 141 V CB 1.765 33.317 31.823 -0.452 0.000 1.022 141 V HN 1.019 nan 8.190 nan 0.000 0.427 142 V N 1.745 121.526 119.914 -0.223 0.000 3.120 142 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 142 V C -0.590 175.434 176.094 -0.117 0.000 1.238 142 V CA -0.841 61.356 62.300 -0.170 0.000 1.008 142 V CB 2.351 34.061 31.823 -0.189 0.000 1.064 142 V HN 0.948 nan 8.190 nan 0.000 0.434 143 E N 2.956 123.101 120.200 -0.092 0.000 2.312 143 E HA 0.297 4.647 4.350 -0.000 0.000 0.259 143 E C -1.851 174.705 176.600 -0.073 0.000 1.122 143 E CA -1.614 54.749 56.400 -0.062 0.000 0.922 143 E CB 1.063 30.738 29.700 -0.042 0.000 1.109 143 E HN 0.398 nan 8.360 nan 0.000 0.442 144 P HA -0.130 nan 4.420 nan 0.000 0.219 144 P C 1.135 178.403 177.300 -0.054 0.000 1.146 144 P CA 1.216 64.279 63.100 -0.062 0.000 0.808 144 P CB 0.056 31.722 31.700 -0.057 0.000 0.779 145 G N -0.565 108.207 108.800 -0.046 0.000 2.471 145 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 145 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 145 G C 0.410 175.294 174.900 -0.027 0.000 1.125 145 G CA 0.088 45.171 45.100 -0.029 0.000 0.775 145 G HN 0.179 nan 8.290 nan 0.000 0.548 146 V N 2.724 122.603 119.914 -0.057 0.000 2.421 146 V HA 0.247 4.367 4.120 -0.000 0.000 0.271 146 V C 1.101 177.143 176.094 -0.087 0.000 1.031 146 V CA 0.053 62.312 62.300 -0.068 0.000 1.032 146 V CB -0.118 31.634 31.823 -0.118 0.000 1.009 146 V HN 0.406 nan 8.190 nan 0.000 0.477 147 T N 1.885 116.434 114.554 -0.009 0.000 2.788 147 T HA 0.298 4.647 4.350 -0.000 0.000 0.280 147 T C 0.935 175.644 174.700 0.016 0.000 0.984 147 T CA -0.170 61.955 62.100 0.041 0.000 0.972 147 T CB 0.606 69.579 68.868 0.175 0.000 1.039 147 T HN 0.375 nan 8.240 nan 0.000 0.530 148 Y N -0.210 120.146 120.300 0.094 0.000 2.145 148 Y HA -0.066 4.484 4.550 -0.001 0.000 0.286 148 Y C 2.909 178.863 175.900 0.090 0.000 1.145 148 Y CA 2.071 60.205 58.100 0.057 0.000 1.148 148 Y CB -1.004 37.470 38.460 0.023 0.000 0.981 148 Y HN 0.820 nan 8.280 nan 0.000 0.507 149 H N -0.138 119.067 119.070 0.225 0.000 2.353 149 H HA -0.180 4.376 4.556 -0.000 0.000 0.298 149 H C 1.776 177.224 175.328 0.199 0.000 1.103 149 H CA 2.051 58.218 56.048 0.197 0.000 1.293 149 H CB -0.249 29.647 29.762 0.223 0.000 1.372 149 H HN 0.275 nan 8.280 nan 0.000 0.501 150 D N -0.068 120.491 120.400 0.266 0.000 2.104 150 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 150 D C 2.265 178.656 176.300 0.152 0.000 0.994 150 D CA 0.839 54.947 54.000 0.180 0.000 0.830 150 D CB -0.598 40.267 40.800 0.108 0.000 0.959 150 D HN 0.216 nan 8.370 nan 0.000 0.452 151 L N 0.761 122.040 121.223 0.094 0.000 2.042 151 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 151 L C 2.235 179.181 176.870 0.126 0.000 1.076 151 L CA 1.836 56.711 54.840 0.060 0.000 0.749 151 L CB -0.895 41.145 42.059 -0.033 0.000 0.893 151 L HN 0.213 nan 8.230 nan 0.000 0.432 152 H N -0.518 118.572 119.070 0.034 0.000 2.319 152 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 152 H C 1.806 177.151 175.328 0.028 0.000 1.092 152 H CA 2.044 58.089 56.048 -0.006 0.000 1.302 152 H CB 0.125 29.825 29.762 -0.103 0.000 1.373 152 H HN 0.398 nan 8.280 nan 0.000 0.497 153 N N 0.393 119.132 118.700 0.065 0.000 2.084 153 N HA -0.185 4.554 4.740 -0.000 0.000 0.190 153 N C 1.920 177.421 175.510 -0.015 0.000 1.030 153 N CA 1.325 54.376 53.050 0.002 0.000 0.849 153 N CB -1.140 37.422 38.487 0.125 0.000 1.012 153 N HN 0.431 nan 8.380 nan 0.000 0.423 154 Y N 1.476 121.747 120.300 -0.048 0.000 2.151 154 Y HA -0.133 4.417 4.550 -0.000 0.000 0.284 154 Y C 2.018 177.870 175.900 -0.080 0.000 1.166 154 Y CA 1.413 59.483 58.100 -0.050 0.000 1.163 154 Y CB -0.337 38.102 38.460 -0.036 0.000 0.974 154 Y HN 0.025 nan 8.280 nan 0.000 0.511 155 L N -0.231 121.070 121.223 0.130 0.000 2.056 155 L HA -0.195 4.144 4.340 -0.000 0.000 0.207 155 L C 2.538 179.336 176.870 -0.121 0.000 1.078 155 L CA 1.904 56.762 54.840 0.030 0.000 0.749 155 L CB -0.593 41.459 42.059 -0.011 0.000 0.901 155 L HN 0.250 nan 8.230 nan 0.000 0.433 156 E N 0.180 120.249 120.200 -0.218 0.000 2.106 156 E HA -0.202 4.147 4.350 -0.000 0.000 0.192 156 E C 2.210 178.712 176.600 -0.163 0.000 0.984 156 E CA 1.005 57.269 56.400 -0.226 0.000 0.806 156 E CB 0.074 29.562 29.700 -0.353 0.000 0.750 156 E HN 0.451 nan 8.360 nan 0.000 0.458 157 A N 1.209 123.923 122.820 -0.176 0.000 1.877 157 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 157 A C 1.714 179.185 177.584 -0.188 0.000 1.186 157 A CA 1.715 53.652 52.037 -0.168 0.000 0.620 157 A CB -0.694 18.186 19.000 -0.200 0.000 0.822 157 A HN 0.307 nan 8.150 nan 0.000 0.443 158 N N 0.175 118.717 118.700 -0.263 0.000 2.571 158 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 158 N C -0.142 175.292 175.510 -0.126 0.000 1.154 158 N CA 0.424 53.338 53.050 -0.228 0.000 0.907 158 N CB -0.020 38.268 38.487 -0.333 0.000 0.977 158 N HN 0.441 nan 8.380 nan 0.000 0.449 159 N N -0.555 118.079 118.700 -0.109 0.000 2.815 159 N HA -0.209 4.531 4.740 -0.000 0.000 0.247 159 N C 0.395 175.879 175.510 -0.044 0.000 1.030 159 N CA 0.639 53.647 53.050 -0.069 0.000 0.881 159 N CB -1.309 37.146 38.487 -0.052 0.000 1.134 159 N HN 0.378 nan 8.380 nan 0.000 0.582 160 L N 0.071 121.267 121.223 -0.044 0.000 2.465 160 L HA 0.011 4.351 4.340 -0.000 0.000 0.224 160 L C 2.453 179.334 176.870 0.018 0.000 1.145 160 L CA 0.415 55.251 54.840 -0.006 0.000 0.834 160 L CB -0.204 41.862 42.059 0.011 0.000 0.944 160 L HN 0.111 nan 8.230 nan 0.000 0.451 161 R N 0.941 121.432 120.500 -0.016 0.000 2.159 161 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 161 R C 1.151 177.513 176.300 0.104 0.000 1.131 161 R CA 1.567 57.664 56.100 -0.005 0.000 0.982 161 R CB -0.348 29.884 30.300 -0.112 0.000 0.868 161 R HN 0.387 nan 8.270 nan 0.000 0.453 162 D N -0.245 120.211 120.400 0.093 0.000 2.277 162 D HA -0.068 4.571 4.640 -0.000 0.000 0.208 162 D C 1.622 178.012 176.300 0.149 0.000 0.962 162 D CA 0.736 54.824 54.000 0.146 0.000 0.865 162 D CB 0.152 41.003 40.800 0.086 0.000 0.939 162 D HN 0.079 nan 8.370 nan 0.000 0.510 163 K N -0.295 120.166 120.400 0.103 0.000 2.211 163 K HA 0.196 4.516 4.320 -0.000 0.000 0.201 163 K C 0.543 177.185 176.600 0.069 0.000 1.052 163 K CA 0.443 56.766 56.287 0.060 0.000 0.973 163 K CB 0.885 33.402 32.500 0.029 0.000 0.766 163 K HN 0.182 nan 8.250 nan 0.000 0.466 164 L N -0.273 121.043 121.223 0.154 0.000 2.505 164 L HA 0.332 4.672 4.340 -0.000 0.000 0.259 164 L C -1.479 175.616 176.870 0.375 0.000 0.952 164 L CA -0.980 53.960 54.840 0.167 0.000 0.840 164 L CB 1.671 43.772 42.059 0.070 0.000 1.358 164 L HN -0.126 nan 8.230 nan 0.000 0.409 165 W N 2.715 123.964 121.300 -0.086 0.000 2.496 165 W HA 0.646 5.305 4.660 -0.000 0.000 0.327 165 W C -0.293 176.186 176.519 -0.068 0.000 1.086 165 W CA -0.801 56.502 57.345 -0.070 0.000 1.222 165 W CB 1.058 30.461 29.460 -0.095 0.000 1.304 165 W HN 0.190 nan 8.180 nan 0.000 0.547 166 L N 3.145 124.456 121.223 0.146 0.000 2.357 166 L HA 0.266 4.606 4.340 -0.000 0.000 0.273 166 L C 0.479 177.432 176.870 0.138 0.000 1.080 166 L CA -0.521 54.394 54.840 0.124 0.000 0.803 166 L CB 0.861 42.996 42.059 0.126 0.000 1.174 166 L HN 0.324 nan 8.230 nan 0.000 0.443 167 D N 1.837 122.338 120.400 0.167 0.000 2.193 167 D HA 0.503 5.143 4.640 -0.000 0.000 0.249 167 D C -1.115 175.275 176.300 0.150 0.000 1.034 167 D CA -0.207 53.911 54.000 0.197 0.000 0.902 167 D CB 2.171 43.147 40.800 0.294 0.000 1.182 167 D HN 0.276 nan 8.370 nan 0.000 0.436 168 V N 0.328 120.295 119.914 0.089 0.000 3.012 168 V HA 0.633 4.753 4.120 -0.000 0.000 0.307 168 V C -2.981 173.095 176.094 -0.030 0.000 1.166 168 V CA -1.774 60.442 62.300 -0.140 0.000 0.974 168 V CB 1.907 33.625 31.823 -0.175 0.000 1.040 168 V HN 0.425 nan 8.190 nan 0.000 0.428 169 P HA 0.365 nan 4.420 nan 0.000 0.279 169 P C 0.064 177.447 177.300 0.140 0.000 1.282 169 P CA 0.086 63.216 63.100 0.050 0.000 0.788 169 P CB 0.741 32.426 31.700 -0.025 0.000 1.139 170 D N -0.553 120.007 120.400 0.267 0.000 2.173 170 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 170 D C 0.833 177.129 176.300 -0.008 0.000 1.002 170 D CA 1.348 55.410 54.000 0.104 0.000 0.881 170 D CB -0.862 40.019 40.800 0.135 0.000 1.062 170 D HN 0.274 nan 8.370 nan 0.000 0.459 171 L N 0.457 121.685 121.223 0.008 0.000 2.426 171 L HA 0.222 4.562 4.340 -0.000 0.000 0.271 171 L C 1.819 178.660 176.870 -0.047 0.000 1.169 171 L CA -0.096 54.691 54.840 -0.088 0.000 0.836 171 L CB 0.933 42.913 42.059 -0.130 0.000 1.112 171 L HN 0.094 nan 8.230 nan 0.000 0.465 172 G N 1.163 109.832 108.800 -0.219 0.000 2.777 172 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.211 172 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.211 172 G C 1.313 176.398 174.900 0.308 0.000 1.149 172 G CA 0.475 45.555 45.100 -0.033 0.000 0.785 172 G HN 0.898 nan 8.290 nan 0.000 0.536 173 G N 0.805 109.899 108.800 0.491 0.000 2.470 173 G HA2 0.221 4.181 3.960 -0.000 0.000 0.220 173 G HA3 0.221 4.181 3.960 -0.000 0.000 0.220 173 G C 1.054 176.131 174.900 0.295 0.000 1.121 173 G CA 0.588 45.964 45.100 0.459 0.000 0.766 173 G HN 0.612 nan 8.290 nan 0.000 0.553 174 G N -0.201 108.811 108.800 0.353 0.000 2.664 174 G HA2 0.330 4.289 3.960 -0.000 0.000 0.242 174 G HA3 0.330 4.289 3.960 -0.000 0.000 0.242 174 G C 0.254 175.325 174.900 0.286 0.000 1.225 174 G CA 0.360 45.645 45.100 0.308 0.000 0.849 174 G HN 0.293 nan 8.290 nan 0.000 0.581 175 S N -0.695 115.094 115.700 0.149 0.000 2.531 175 S HA 0.097 4.567 4.470 -0.000 0.000 0.279 175 S C 1.577 176.113 174.600 -0.106 0.000 1.305 175 S CA -0.666 57.538 58.200 0.007 0.000 1.058 175 S CB 1.056 64.257 63.200 0.002 0.000 0.899 175 S HN 0.393 nan 8.310 nan 0.000 0.493 176 V N 5.834 125.508 119.914 -0.400 0.000 2.343 176 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 176 V C 2.156 178.110 176.094 -0.232 0.000 1.051 176 V CA 2.227 64.142 62.300 -0.641 0.000 1.036 176 V CB -0.945 30.470 31.823 -0.681 0.000 0.654 176 V HN 0.927 nan 8.190 nan 0.000 0.451 177 L N 0.319 121.453 121.223 -0.148 0.000 2.209 177 L HA 0.349 4.689 4.340 -0.000 0.000 0.207 177 L C 2.271 179.134 176.870 -0.012 0.000 1.094 177 L CA 2.065 56.864 54.840 -0.067 0.000 0.790 177 L CB -1.813 40.199 42.059 -0.077 0.000 0.932 177 L HN 0.088 nan 8.230 nan 0.000 0.447 178 G N 0.406 109.198 108.800 -0.013 0.000 2.421 178 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.216 178 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.216 178 G C 1.595 176.525 174.900 0.049 0.000 1.171 178 G CA 0.864 45.967 45.100 0.004 0.000 0.775 178 G HN 0.527 nan 8.290 nan 0.000 0.543 179 N N 1.534 120.306 118.700 0.120 0.000 2.188 179 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 179 N C 2.468 178.106 175.510 0.213 0.000 1.018 179 N CA 1.393 54.561 53.050 0.197 0.000 0.858 179 N CB -0.293 38.403 38.487 0.348 0.000 0.989 179 N HN 0.244 nan 8.380 nan 0.000 0.426 180 A N 0.989 123.926 122.820 0.195 0.000 1.877 180 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 180 A C 2.495 180.259 177.584 0.300 0.000 1.186 180 A CA 2.095 54.295 52.037 0.272 0.000 0.620 180 A CB -1.062 18.052 19.000 0.191 0.000 0.822 180 A HN 0.275 nan 8.150 nan 0.000 0.443 181 V N -2.394 117.605 119.914 0.141 0.000 2.490 181 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 181 V C 1.718 177.692 176.094 -0.199 0.000 1.061 181 V CA 2.207 64.481 62.300 -0.043 0.000 1.064 181 V CB -0.812 30.969 31.823 -0.071 0.000 0.670 181 V HN 0.463 nan 8.190 nan 0.000 0.461 182 E N 0.486 120.628 120.200 -0.098 0.000 2.427 182 E HA 0.038 4.387 4.350 -0.000 0.000 0.196 182 E C 0.885 177.428 176.600 -0.095 0.000 1.028 182 E CA 0.410 56.718 56.400 -0.154 0.000 0.864 182 E CB -0.123 29.491 29.700 -0.144 0.000 0.813 182 E HN 0.754 nan 8.360 nan 0.000 0.514 183 R N -0.909 119.611 120.500 0.034 0.000 3.654 183 R HA -0.122 4.217 4.340 -0.000 0.000 0.302 183 R C 0.639 177.076 176.300 0.229 0.000 1.166 183 R CA 0.391 56.589 56.100 0.164 0.000 0.810 183 R CB -2.394 27.973 30.300 0.111 0.000 1.323 183 R HN 0.169 nan 8.270 nan 0.000 0.478 184 G N 0.326 109.241 108.800 0.191 0.000 2.554 184 G HA2 0.381 4.341 3.960 -0.000 0.000 0.238 184 G HA3 0.381 4.341 3.960 -0.000 0.000 0.238 184 G C 0.400 175.215 174.900 -0.141 0.000 1.259 184 G CA -0.404 44.783 45.100 0.145 0.000 0.843 184 G HN 0.033 nan 8.290 nan 0.000 0.582 185 V N 0.697 120.444 119.914 -0.279 0.000 2.904 185 V HA 0.778 4.898 4.120 -0.000 0.000 0.305 185 V C 1.019 176.637 176.094 -0.794 0.000 1.067 185 V CA 0.366 62.298 62.300 -0.613 0.000 1.044 185 V CB 1.399 32.869 31.823 -0.588 0.000 1.050 185 V HN 1.093 nan 8.190 nan 0.000 0.475 186 G N 0.499 108.737 108.800 -0.938 0.000 2.660 186 G HA2 0.500 4.460 3.960 -0.000 0.000 0.294 186 G HA3 0.500 4.460 3.960 -0.000 0.000 0.294 186 G C -0.667 173.788 174.900 -0.741 0.000 1.369 186 G CA -0.403 44.306 45.100 -0.652 0.000 0.912 186 G HN 0.543 nan 8.290 nan 0.000 0.479 187 Y N 0.314 120.638 120.300 0.040 0.000 2.395 187 Y HA 0.050 4.600 4.550 -0.001 0.000 0.293 187 Y C 2.518 178.498 175.900 0.133 0.000 1.123 187 Y CA 0.803 58.939 58.100 0.060 0.000 1.227 187 Y CB -0.467 38.009 38.460 0.026 0.000 1.012 187 Y HN 0.591 nan 8.280 nan 0.000 0.552 188 T N -2.003 112.697 114.554 0.242 0.000 2.801 188 T HA 0.108 4.458 4.350 -0.000 0.000 0.324 188 T C -1.679 173.083 174.700 0.104 0.000 1.088 188 T CA -1.405 60.827 62.100 0.220 0.000 0.975 188 T CB 0.298 69.288 68.868 0.204 0.000 1.316 188 T HN -0.232 nan 8.240 nan 0.000 0.533 189 P HA 0.051 nan 4.420 nan 0.000 0.223 189 P C 0.402 177.803 177.300 0.169 0.000 1.151 189 P CA 0.835 63.951 63.100 0.027 0.000 0.787 189 P CB -0.165 31.497 31.700 -0.064 0.000 0.788 190 Y N -0.884 119.418 120.300 0.004 0.000 2.496 190 Y HA 0.232 4.781 4.550 -0.001 0.000 0.313 190 Y C 2.230 178.192 175.900 0.104 0.000 1.184 190 Y CA -0.255 57.893 58.100 0.079 0.000 1.275 190 Y CB -1.330 37.204 38.460 0.123 0.000 1.103 190 Y HN -0.057 nan 8.280 nan 0.000 0.513 191 G N -0.402 108.470 108.800 0.120 0.000 2.475 191 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 191 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 191 G C 0.644 175.407 174.900 -0.228 0.000 1.125 191 G CA 0.682 45.740 45.100 -0.069 0.000 0.755 191 G HN 0.279 nan 8.290 nan 0.000 0.565 192 D N -0.113 120.224 120.400 -0.105 0.000 2.383 192 D HA 0.128 4.768 4.640 -0.000 0.000 0.245 192 D C 1.176 177.500 176.300 0.040 0.000 1.263 192 D CA -0.286 53.654 54.000 -0.099 0.000 0.936 192 D CB 0.024 40.808 40.800 -0.027 0.000 1.053 192 D HN 0.505 nan 8.370 nan 0.000 0.507 193 H N 2.640 121.757 119.070 0.079 0.000 2.321 193 H HA -0.126 4.429 4.556 -0.000 0.000 0.300 193 H C 1.743 177.164 175.328 0.156 0.000 1.087 193 H CA 0.899 57.023 56.048 0.125 0.000 1.319 193 H CB 0.100 29.956 29.762 0.157 0.000 1.379 193 H HN 0.590 nan 8.280 nan 0.000 0.501 194 W N 1.523 122.908 121.300 0.143 0.000 2.350 194 W HA -0.244 4.416 4.660 -0.000 0.000 0.289 194 W C 1.939 178.562 176.519 0.174 0.000 1.215 194 W CA 1.055 58.478 57.345 0.130 0.000 1.236 194 W CB -0.108 29.402 29.460 0.084 0.000 1.130 194 W HN 0.235 nan 8.180 nan 0.000 0.541 195 M N 0.883 120.512 119.600 0.047 0.000 2.159 195 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 195 M C 1.685 177.825 176.300 -0.266 0.000 1.063 195 M CA 1.650 56.887 55.300 -0.105 0.000 1.110 195 M CB -0.684 31.920 32.600 0.006 0.000 1.374 195 M HN -0.203 nan 8.290 nan 0.000 0.411 196 M N -0.014 119.480 119.600 -0.177 0.000 2.682 196 M HA 0.071 4.551 4.480 -0.000 0.000 0.235 196 M C 0.321 176.148 176.300 -0.787 0.000 1.114 196 M CA 0.323 55.472 55.300 -0.252 0.000 1.053 196 M CB -2.457 30.204 32.600 0.102 0.000 1.599 196 M HN 0.406 nan 8.290 nan 0.000 0.520 197 H N -1.653 116.888 119.070 -0.882 0.000 2.509 197 H HA 0.645 5.201 4.556 -0.000 0.000 0.359 197 H C -0.549 174.098 175.328 -1.136 0.000 1.253 197 H CA -0.829 54.663 56.048 -0.926 0.000 1.373 197 H CB 1.116 30.416 29.762 -0.769 0.000 1.555 197 H HN 0.005 nan 8.280 nan 0.000 0.586 198 S N 1.134 116.362 115.700 -0.786 0.000 2.584 198 S HA 0.483 4.953 4.470 -0.000 0.000 0.282 198 S C -0.702 173.803 174.600 -0.158 0.000 1.138 198 S CA -0.019 57.828 58.200 -0.590 0.000 0.987 198 S CB -0.120 62.740 63.200 -0.565 0.000 1.137 198 S HN 1.799 nan 8.310 nan 0.000 0.457 199 G N 4.470 113.257 108.800 -0.021 0.000 2.977 199 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 199 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 199 G C -0.787 174.205 174.900 0.154 0.000 1.088 199 G CA 0.147 45.310 45.100 0.105 0.000 0.845 199 G HN 0.913 nan 8.290 nan 0.000 0.565 200 M N 0.807 120.581 119.600 0.290 0.000 2.716 200 M HA 0.741 5.221 4.480 -0.000 0.000 0.278 200 M C -0.286 176.210 176.300 0.327 0.000 1.281 200 M CA -0.865 54.575 55.300 0.233 0.000 0.814 200 M CB 2.799 35.440 32.600 0.069 0.000 1.719 200 M HN 0.752 nan 8.290 nan 0.000 0.457 201 E N 1.155 121.459 120.200 0.173 0.000 2.308 201 E HA 0.710 5.059 4.350 -0.000 0.000 0.275 201 E C -2.009 174.534 176.600 -0.095 0.000 0.890 201 E CA -0.795 55.636 56.400 0.051 0.000 0.754 201 E CB 2.655 32.432 29.700 0.129 0.000 1.207 201 E HN 0.593 nan 8.360 nan 0.000 0.426 202 V N 0.126 119.928 119.914 -0.188 0.000 3.120 202 V HA 0.579 4.699 4.120 -0.000 0.000 0.303 202 V C -1.151 174.822 176.094 -0.203 0.000 1.238 202 V CA -0.971 61.175 62.300 -0.257 0.000 1.008 202 V CB 1.573 33.075 31.823 -0.534 0.000 1.064 202 V HN 0.425 nan 8.190 nan 0.000 0.434 203 V N 4.226 124.044 119.914 -0.160 0.000 2.406 203 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 203 V C 0.458 176.494 176.094 -0.096 0.000 1.043 203 V CA -0.333 61.902 62.300 -0.108 0.000 0.915 203 V CB 0.899 32.676 31.823 -0.077 0.000 0.988 203 V HN 0.780 nan 8.190 nan 0.000 0.466 204 L N 3.529 124.712 121.223 -0.067 0.000 2.466 204 L HA 0.333 4.673 4.340 -0.000 0.000 0.257 204 L C 1.930 178.792 176.870 -0.014 0.000 1.189 204 L CA -0.011 54.813 54.840 -0.027 0.000 0.813 204 L CB 0.388 42.444 42.059 -0.006 0.000 1.118 204 L HN 0.730 nan 8.230 nan 0.000 0.471 205 A N 1.442 124.263 122.820 0.001 0.000 2.024 205 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 205 A C 1.573 179.162 177.584 0.008 0.000 1.164 205 A CA 2.105 54.145 52.037 0.005 0.000 0.643 205 A CB -1.157 17.848 19.000 0.009 0.000 0.806 205 A HN 0.980 nan 8.150 nan 0.000 0.451 206 N N -1.925 116.778 118.700 0.004 0.000 2.449 206 N HA 0.327 5.066 4.740 -0.000 0.000 0.191 206 N C 1.000 176.508 175.510 -0.002 0.000 1.161 206 N CA 0.753 53.805 53.050 0.003 0.000 0.863 206 N CB 0.054 38.542 38.487 0.002 0.000 0.980 206 N HN 0.529 nan 8.380 nan 0.000 0.458 207 G N -0.099 108.697 108.800 -0.008 0.000 2.189 207 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 207 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 207 G C -0.286 174.599 174.900 -0.026 0.000 0.975 207 G CA 0.227 45.318 45.100 -0.016 0.000 0.644 207 G HN 0.547 nan 8.290 nan 0.000 0.537 208 E N -0.069 120.116 120.200 -0.025 0.000 2.366 208 E HA 0.528 4.878 4.350 -0.000 0.000 0.266 208 E C 0.761 177.332 176.600 -0.048 0.000 1.051 208 E CA -0.494 55.888 56.400 -0.031 0.000 0.884 208 E CB 1.025 30.712 29.700 -0.022 0.000 1.006 208 E HN 0.328 nan 8.360 nan 0.000 0.417 209 L N 2.543 123.731 121.223 -0.057 0.000 2.439 209 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 209 L C -0.495 176.325 176.870 -0.083 0.000 1.153 209 L CA -0.591 54.201 54.840 -0.079 0.000 0.808 209 L CB 0.534 42.539 42.059 -0.090 0.000 1.126 209 L HN 0.379 nan 8.230 nan 0.000 0.460 210 L N 2.095 123.254 121.223 -0.106 0.000 2.710 210 L HA 0.407 4.747 4.340 -0.000 0.000 0.262 210 L C -0.717 176.088 176.870 -0.108 0.000 0.940 210 L CA -0.208 54.577 54.840 -0.093 0.000 0.944 210 L CB 1.497 43.513 42.059 -0.072 0.000 1.348 210 L HN 0.436 nan 8.230 nan 0.000 0.425 211 R N 1.184 121.613 120.500 -0.117 0.000 2.549 211 R HA 0.908 5.247 4.340 -0.000 0.000 0.259 211 R C -0.184 176.128 176.300 0.020 0.000 1.095 211 R CA 0.148 56.186 56.100 -0.103 0.000 1.148 211 R CB 1.294 31.387 30.300 -0.345 0.000 1.181 211 R HN 0.763 nan 8.270 nan 0.000 0.571 212 T N -2.751 111.877 114.554 0.123 0.000 2.865 212 T HA 0.701 5.050 4.350 -0.000 0.000 0.294 212 T C 0.567 175.376 174.700 0.182 0.000 1.119 212 T CA -0.343 61.849 62.100 0.153 0.000 1.007 212 T CB 1.657 70.630 68.868 0.176 0.000 1.225 212 T HN 0.784 nan 8.240 nan 0.000 0.515 213 G N 1.310 110.227 108.800 0.196 0.000 2.574 213 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.282 213 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.282 213 G C 0.924 175.923 174.900 0.165 0.000 1.257 213 G CA 0.306 45.517 45.100 0.186 0.000 0.956 213 G HN 0.840 nan 8.290 nan 0.000 0.560 214 M N 1.938 121.626 119.600 0.146 0.000 2.629 214 M HA -0.019 4.461 4.480 -0.000 0.000 0.257 214 M C 2.694 179.065 176.300 0.119 0.000 1.071 214 M CA 1.733 57.119 55.300 0.144 0.000 1.077 214 M CB -1.791 30.900 32.600 0.151 0.000 1.423 214 M HN 0.827 nan 8.290 nan 0.000 0.508 215 G N 0.200 109.094 108.800 0.156 0.000 2.462 215 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.220 215 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.220 215 G C 1.618 176.518 174.900 -0.001 0.000 1.121 215 G CA 1.016 46.226 45.100 0.184 0.000 0.758 215 G HN 0.554 nan 8.290 nan 0.000 0.559 216 A N -0.354 122.489 122.820 0.038 0.000 2.014 216 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 216 A C 1.234 178.820 177.584 0.004 0.000 1.163 216 A CA 0.232 52.276 52.037 0.011 0.000 0.652 216 A CB -0.166 18.869 19.000 0.058 0.000 0.808 216 A HN 0.386 nan 8.150 nan 0.000 0.449 217 L N 1.556 122.795 121.223 0.028 0.000 2.369 217 L HA 0.352 4.692 4.340 -0.000 0.000 0.279 217 L C -2.609 174.259 176.870 -0.004 0.000 1.108 217 L CA -2.165 52.685 54.840 0.017 0.000 0.852 217 L CB 0.438 42.519 42.059 0.037 0.000 1.169 217 L HN -0.050 nan 8.230 nan 0.000 0.452 218 P HA 0.070 nan 4.420 nan 0.000 0.275 218 P C -1.072 176.220 177.300 -0.012 0.000 1.227 218 P CA -0.291 62.789 63.100 -0.034 0.000 0.781 218 P CB 0.478 32.157 31.700 -0.036 0.000 0.906 219 D N 4.098 124.492 120.400 -0.009 0.000 2.390 219 D HA 0.093 4.733 4.640 -0.000 0.000 0.249 219 D C -1.956 174.347 176.300 0.006 0.000 1.144 219 D CA -1.300 52.711 54.000 0.017 0.000 0.880 219 D CB 0.264 41.086 40.800 0.037 0.000 1.182 219 D HN 0.136 nan 8.370 nan 0.000 0.451 220 P HA 0.040 nan 4.420 nan 0.000 0.267 220 P C -0.739 176.565 177.300 0.006 0.000 1.200 220 P CA -0.009 63.094 63.100 0.005 0.000 0.772 220 P CB 0.208 31.913 31.700 0.009 0.000 0.855 221 K N 3.050 123.450 120.400 0.000 0.000 2.349 221 K HA 0.277 4.597 4.320 -0.000 0.000 0.289 221 K C 0.011 176.614 176.600 0.004 0.000 1.064 221 K CA -0.563 55.725 56.287 0.001 0.000 0.947 221 K CB 0.571 33.068 32.500 -0.004 0.000 1.007 221 K HN 0.405 nan 8.250 nan 0.000 0.478 222 R N 2.205 122.709 120.500 0.008 0.000 2.720 222 R HA 0.329 4.669 4.340 -0.000 0.000 0.272 222 R C -2.311 173.994 176.300 0.008 0.000 0.991 222 R CA -2.164 53.942 56.100 0.010 0.000 1.010 222 R CB 0.413 30.722 30.300 0.015 0.000 1.141 222 R HN 0.208 nan 8.270 nan 0.000 0.494 223 P HA -0.240 nan 4.420 nan 0.000 0.216 223 P C 0.721 178.025 177.300 0.007 0.000 1.150 223 P CA 1.309 64.412 63.100 0.005 0.000 0.837 223 P CB 0.101 31.805 31.700 0.005 0.000 0.786 224 E N -0.264 119.942 120.200 0.010 0.000 2.160 224 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 224 E C 1.414 178.022 176.600 0.012 0.000 0.991 224 E CA 2.052 58.459 56.400 0.012 0.000 0.810 224 E CB -1.926 27.783 29.700 0.016 0.000 0.742 224 E HN 0.359 nan 8.360 nan 0.000 0.466 225 T N -1.522 113.039 114.554 0.012 0.000 3.107 225 T HA 0.172 4.522 4.350 -0.000 0.000 0.249 225 T C 1.014 175.715 174.700 0.002 0.000 1.096 225 T CA -0.401 61.705 62.100 0.010 0.000 1.012 225 T CB -0.091 68.784 68.868 0.012 0.000 0.977 225 T HN -0.117 nan 8.240 nan 0.000 0.527 226 M N 1.443 121.043 119.600 0.001 0.000 2.252 226 M HA 0.310 4.790 4.480 -0.000 0.000 0.321 226 M C 2.020 178.317 176.300 -0.005 0.000 1.070 226 M CA 1.116 56.414 55.300 -0.003 0.000 1.143 226 M CB -0.892 31.707 32.600 -0.002 0.000 1.498 226 M HN 0.532 nan 8.290 nan 0.000 0.445 227 G N 1.127 109.922 108.800 -0.008 0.000 2.270 227 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.268 227 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.268 227 G C 0.103 174.996 174.900 -0.012 0.000 0.982 227 G CA 0.216 45.311 45.100 -0.010 0.000 0.628 227 G HN 0.531 nan 8.290 nan 0.000 0.544 228 L N 1.162 122.378 121.223 -0.011 0.000 2.514 228 L HA 0.282 4.622 4.340 -0.000 0.000 0.280 228 L C 1.238 178.094 176.870 -0.023 0.000 1.223 228 L CA 0.764 55.596 54.840 -0.014 0.000 0.864 228 L CB 0.308 42.361 42.059 -0.011 0.000 1.118 228 L HN 0.232 nan 8.230 nan 0.000 0.494 229 K N 4.611 124.997 120.400 -0.024 0.000 2.258 229 K HA 0.107 4.426 4.320 -0.000 0.000 0.264 229 K C -1.517 175.055 176.600 -0.045 0.000 1.007 229 K CA -1.264 55.005 56.287 -0.031 0.000 0.941 229 K CB 0.220 32.703 32.500 -0.027 0.000 0.966 229 K HN 0.326 nan 8.250 nan 0.000 0.480 230 P HA -0.270 nan 4.420 nan 0.000 0.214 230 P C 0.986 178.225 177.300 -0.102 0.000 1.163 230 P CA 1.423 64.471 63.100 -0.087 0.000 0.889 230 P CB 0.099 31.747 31.700 -0.087 0.000 0.790 231 E N -0.150 120.004 120.200 -0.077 0.000 2.267 231 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 231 E C 0.834 177.411 176.600 -0.039 0.000 0.998 231 E CA 1.518 57.878 56.400 -0.065 0.000 0.830 231 E CB -1.242 28.432 29.700 -0.043 0.000 0.751 231 E HN 0.302 nan 8.360 nan 0.000 0.491 232 D N 0.870 121.251 120.400 -0.032 0.000 2.354 232 D HA 0.017 4.657 4.640 -0.000 0.000 0.209 232 D C 0.267 176.564 176.300 -0.005 0.000 1.015 232 D CA 0.140 54.138 54.000 -0.004 0.000 0.867 232 D CB 0.055 40.855 40.800 -0.000 0.000 0.933 232 D HN 0.325 nan 8.370 nan 0.000 0.520 233 Q N 2.160 121.931 119.800 -0.050 0.000 2.364 233 Q HA 0.164 4.504 4.340 -0.000 0.000 0.267 233 Q C -2.063 173.902 176.000 -0.057 0.000 0.999 233 Q CA -1.098 54.670 55.803 -0.059 0.000 0.886 233 Q CB 0.353 29.030 28.738 -0.102 0.000 1.243 233 Q HN 0.113 nan 8.270 nan 0.000 0.415 234 P HA 0.047 nan 4.420 nan 0.000 0.274 234 P C -1.165 176.183 177.300 0.079 0.000 1.237 234 P CA -0.268 62.912 63.100 0.133 0.000 0.793 234 P CB 0.540 32.323 31.700 0.138 0.000 0.977 235 W N 0.546 121.882 121.300 0.061 0.000 2.283 235 W HA 0.313 4.973 4.660 -0.001 0.000 0.341 235 W C 1.097 177.621 176.519 0.010 0.000 1.206 235 W CA -0.002 57.355 57.345 0.021 0.000 1.294 235 W CB 0.060 29.535 29.460 0.026 0.000 1.154 235 W HN 0.320 nan 8.180 nan 0.000 0.613 236 S N 1.170 116.987 115.700 0.195 0.000 2.600 236 S HA 0.122 4.592 4.470 -0.000 0.000 0.265 236 S C 1.177 175.854 174.600 0.128 0.000 1.325 236 S CA -0.336 57.936 58.200 0.120 0.000 1.002 236 S CB 0.971 64.214 63.200 0.071 0.000 0.921 236 S HN 0.635 nan 8.310 nan 0.000 0.554 237 K N 0.427 120.889 120.400 0.103 0.000 2.074 237 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 237 K C 1.375 178.024 176.600 0.082 0.000 1.048 237 K CA 1.433 57.783 56.287 0.105 0.000 0.926 237 K CB -0.566 31.986 32.500 0.088 0.000 0.713 237 K HN 0.562 nan 8.250 nan 0.000 0.444 238 I N 1.557 122.164 120.570 0.061 0.000 3.251 238 I HA 0.020 4.190 4.170 -0.000 0.000 0.277 238 I C 2.558 178.688 176.117 0.022 0.000 1.268 238 I CA 0.580 61.916 61.300 0.059 0.000 1.449 238 I CB -1.293 36.754 38.000 0.077 0.000 1.083 238 I HN 0.235 nan 8.210 nan 0.000 0.464 239 A N 1.340 124.132 122.820 -0.046 0.000 1.915 239 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 239 A C 2.003 179.337 177.584 -0.417 0.000 1.198 239 A CA 2.308 54.229 52.037 -0.194 0.000 0.647 239 A CB -1.261 17.613 19.000 -0.209 0.000 0.825 239 A HN 0.577 nan 8.150 nan 0.000 0.456 240 H N -1.176 117.757 119.070 -0.228 0.000 2.553 240 H HA 0.344 4.900 4.556 -0.000 0.000 0.265 240 H C 1.556 176.787 175.328 -0.162 0.000 0.964 240 H CA 0.458 56.229 56.048 -0.461 0.000 1.156 240 H CB 0.071 29.202 29.762 -1.051 0.000 1.411 240 H HN 0.397 nan 8.280 nan 0.000 0.558 241 L N -0.742 120.506 121.223 0.042 0.000 2.354 241 L HA 0.114 4.454 4.340 -0.000 0.000 0.212 241 L C -0.222 176.817 176.870 0.282 0.000 1.091 241 L CA 0.196 55.134 54.840 0.163 0.000 0.828 241 L CB 0.473 42.588 42.059 0.093 0.000 0.973 241 L HN 0.169 nan 8.230 nan 0.000 0.461 242 F N 0.941 120.923 119.950 0.054 0.000 2.653 242 F HA 0.407 4.934 4.527 -0.000 0.000 0.327 242 F C -2.292 173.473 175.800 -0.058 0.000 1.195 242 F CA -2.256 55.747 58.000 0.004 0.000 0.993 242 F CB 1.594 40.593 39.000 -0.001 0.000 1.259 242 F HN -0.266 nan 8.300 nan 0.000 0.478 243 P HA -0.115 nan 4.420 nan 0.000 0.220 243 P C 1.110 178.012 177.300 -0.663 0.000 1.152 243 P CA 1.386 64.086 63.100 -0.666 0.000 0.812 243 P CB 0.011 31.214 31.700 -0.828 0.000 0.792 244 Y N 0.357 119.993 120.300 -1.108 0.000 2.242 244 Y HA 0.086 4.636 4.550 -0.001 0.000 0.291 244 Y C 2.220 178.025 175.900 -0.159 0.000 1.137 244 Y CA 0.820 58.476 58.100 -0.740 0.000 1.181 244 Y CB -1.494 36.510 38.460 -0.761 0.000 0.989 244 Y HN 0.084 nan 8.280 nan 0.000 0.527 245 G N 0.450 109.347 108.800 0.160 0.000 2.550 245 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.277 245 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.277 245 G C -0.595 174.560 174.900 0.425 0.000 1.190 245 G CA 0.304 45.601 45.100 0.328 0.000 0.971 245 G HN 0.422 nan 8.290 nan 0.000 0.559 246 F N 0.662 120.720 119.950 0.180 0.000 2.601 246 F HA 0.624 5.151 4.527 -0.000 0.000 0.309 246 F C 0.706 176.576 175.800 0.118 0.000 1.089 246 F CA 1.427 59.511 58.000 0.139 0.000 0.940 246 F CB 1.490 40.557 39.000 0.111 0.000 1.273 246 F HN 2.454 nan 8.300 nan 0.000 0.450 247 G N 3.598 111.992 108.800 -0.676 0.000 2.693 247 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.226 247 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.226 247 G C -2.825 172.012 174.900 -0.106 0.000 1.354 247 G CA -0.753 44.110 45.100 -0.395 0.000 0.873 247 G HN 0.675 nan 8.290 nan 0.000 0.562 248 P HA 0.285 nan 4.420 nan 0.000 0.264 248 P C -0.599 176.797 177.300 0.160 0.000 1.183 248 P CA 0.134 63.267 63.100 0.055 0.000 0.763 248 P CB 0.211 31.939 31.700 0.047 0.000 0.807 249 Y N 4.702 125.028 120.300 0.043 0.000 2.691 249 Y HA 0.213 4.763 4.550 -0.000 0.000 0.338 249 Y C 1.318 177.286 175.900 0.113 0.000 1.148 249 Y CA -0.682 57.479 58.100 0.101 0.000 1.430 249 Y CB -0.555 37.988 38.460 0.138 0.000 1.303 249 Y HN 0.341 nan 8.280 nan 0.000 0.499 250 I N -0.626 119.928 120.570 -0.026 0.000 3.001 250 I HA -0.070 4.099 4.170 -0.000 0.000 0.268 250 I C 0.975 177.005 176.117 -0.143 0.000 1.267 250 I CA 0.770 62.016 61.300 -0.091 0.000 1.472 250 I CB 0.007 38.016 38.000 0.014 0.000 1.089 250 I HN 0.257 nan 8.210 nan 0.000 0.468 251 D N 2.812 123.096 120.400 -0.193 0.000 2.149 251 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 251 D C 2.350 178.740 176.300 0.150 0.000 1.001 251 D CA 1.905 55.951 54.000 0.076 0.000 0.849 251 D CB -0.652 40.172 40.800 0.039 0.000 0.939 251 D HN 0.552 nan 8.370 nan 0.000 0.449 252 G N 0.512 109.301 108.800 -0.020 0.000 2.450 252 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 252 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 252 G C 1.591 176.315 174.900 -0.293 0.000 1.130 252 G CA 0.282 45.332 45.100 -0.083 0.000 0.760 252 G HN 0.293 nan 8.290 nan 0.000 0.557 253 L N -0.560 120.405 121.223 -0.430 0.000 2.261 253 L HA -0.037 4.303 4.340 -0.000 0.000 0.216 253 L C 2.030 178.428 176.870 -0.785 0.000 1.114 253 L CA 0.629 55.071 54.840 -0.664 0.000 0.777 253 L CB -0.350 41.140 42.059 -0.948 0.000 0.910 253 L HN 0.195 nan 8.230 nan 0.000 0.440 254 F N -1.187 118.658 119.950 -0.174 0.000 2.765 254 F HA 0.096 4.623 4.527 -0.001 0.000 0.302 254 F C 1.315 176.910 175.800 -0.341 0.000 1.111 254 F CA -0.220 57.659 58.000 -0.201 0.000 1.359 254 F CB -0.326 38.608 39.000 -0.109 0.000 1.097 254 F HN -0.175 nan 8.300 nan 0.000 0.577 255 S N 0.900 116.333 115.700 -0.445 0.000 2.499 255 S HA 0.197 4.666 4.470 -0.000 0.000 0.279 255 S C 0.353 174.697 174.600 -0.425 0.000 1.219 255 S CA -0.630 57.177 58.200 -0.655 0.000 1.062 255 S CB 0.773 63.262 63.200 -1.185 0.000 0.978 255 S HN 0.288 nan 8.310 nan 0.000 0.489 256 Q N 0.505 120.090 119.800 -0.357 0.000 2.434 256 Q HA -0.211 4.129 4.340 -0.000 0.000 0.299 256 Q C -0.240 175.605 176.000 -0.257 0.000 1.286 256 Q CA 0.796 56.425 55.803 -0.291 0.000 0.872 256 Q CB -1.950 26.619 28.738 -0.281 0.000 1.193 256 Q HN 0.829 nan 8.270 nan 0.000 0.466 257 S N -1.481 114.066 115.700 -0.256 0.000 2.588 257 S HA 0.503 4.973 4.470 -0.000 0.000 0.269 257 S C 0.115 174.580 174.600 -0.226 0.000 1.157 257 S CA -0.556 57.501 58.200 -0.238 0.000 0.824 257 S CB 0.999 64.055 63.200 -0.240 0.000 1.126 257 S HN 0.259 nan 8.310 nan 0.000 0.464 258 N N 0.622 119.187 118.700 -0.226 0.000 2.370 258 N HA 0.059 4.798 4.740 -0.000 0.000 0.198 258 N C 1.066 176.505 175.510 -0.118 0.000 1.156 258 N CA -0.029 52.898 53.050 -0.206 0.000 0.839 258 N CB -0.472 37.874 38.487 -0.235 0.000 0.989 258 N HN 0.509 nan 8.380 nan 0.000 0.468 259 M N -0.238 119.315 119.600 -0.079 0.000 2.267 259 M HA 0.114 4.594 4.480 -0.000 0.000 0.263 259 M C 0.896 177.298 176.300 0.170 0.000 1.063 259 M CA 0.790 56.095 55.300 0.007 0.000 1.090 259 M CB -1.147 31.374 32.600 -0.132 0.000 1.392 259 M HN 0.399 nan 8.290 nan 0.000 0.422 260 G N -0.481 108.407 108.800 0.147 0.000 2.338 260 G HA2 0.433 4.393 3.960 -0.000 0.000 0.295 260 G HA3 0.433 4.393 3.960 -0.000 0.000 0.295 260 G C -1.463 173.387 174.900 -0.082 0.000 1.461 260 G CA -0.986 44.131 45.100 0.027 0.000 0.817 260 G HN 0.126 nan 8.290 nan 0.000 0.556 261 I N 1.037 121.529 120.570 -0.130 0.000 2.325 261 I HA 0.313 4.482 4.170 -0.000 0.000 0.291 261 I C 0.290 176.304 176.117 -0.172 0.000 1.019 261 I CA -0.839 60.375 61.300 -0.143 0.000 1.302 261 I CB 1.532 39.465 38.000 -0.111 0.000 1.401 261 I HN 0.123 nan 8.210 nan 0.000 0.485 262 V N 5.595 125.413 119.914 -0.160 0.000 2.530 262 V HA 0.093 4.213 4.120 -0.000 0.000 0.282 262 V C 1.223 177.259 176.094 -0.096 0.000 1.048 262 V CA -0.010 62.202 62.300 -0.147 0.000 0.997 262 V CB 1.174 32.928 31.823 -0.114 0.000 0.987 262 V HN 0.951 nan 8.190 nan 0.000 0.477 263 T N 1.200 115.713 114.554 -0.069 0.000 3.023 263 T HA 0.311 4.661 4.350 -0.000 0.000 0.249 263 T C 0.446 175.145 174.700 -0.001 0.000 1.050 263 T CA 0.104 62.184 62.100 -0.034 0.000 1.088 263 T CB 0.298 69.150 68.868 -0.026 0.000 0.946 263 T HN 0.593 nan 8.240 nan 0.000 0.480 264 K N -0.116 120.304 120.400 0.032 0.000 2.578 264 K HA 0.751 5.071 4.320 -0.000 0.000 0.287 264 K C -1.905 174.704 176.600 0.015 0.000 1.010 264 K CA -0.933 55.379 56.287 0.041 0.000 0.889 264 K CB 2.663 35.272 32.500 0.182 0.000 1.514 264 K HN 0.185 nan 8.250 nan 0.000 0.424 265 I N -0.151 120.365 120.570 -0.090 0.000 2.771 265 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 265 I C -1.113 174.827 176.117 -0.296 0.000 1.527 265 I CA -0.443 60.771 61.300 -0.143 0.000 1.024 265 I CB 1.982 39.917 38.000 -0.109 0.000 1.388 265 I HN 0.751 nan 8.210 nan 0.000 0.447 266 G N 7.228 115.814 108.800 -0.356 0.000 2.415 266 G HA2 0.607 4.566 3.960 -0.000 0.000 0.269 266 G HA3 0.607 4.566 3.960 -0.000 0.000 0.269 266 G C -0.886 173.789 174.900 -0.375 0.000 1.209 266 G CA -0.283 44.517 45.100 -0.500 0.000 0.835 266 G HN 0.377 nan 8.290 nan 0.000 0.534 267 I N 1.382 121.771 120.570 -0.302 0.000 2.644 267 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 267 I C -0.732 175.375 176.117 -0.015 0.000 1.180 267 I CA -1.106 60.051 61.300 -0.238 0.000 1.040 267 I CB 1.844 39.766 38.000 -0.129 0.000 1.255 267 I HN 0.505 nan 8.210 nan 0.000 0.422 268 W N 6.010 127.353 121.300 0.072 0.000 2.093 268 W HA 0.483 5.142 4.660 -0.000 0.000 0.352 268 W C -0.226 176.414 176.519 0.201 0.000 1.294 268 W CA -0.434 57.017 57.345 0.177 0.000 1.290 268 W CB 0.207 29.789 29.460 0.203 0.000 1.149 268 W HN 0.202 nan 8.180 nan 0.000 0.606 269 L N 2.366 123.839 121.223 0.415 0.000 2.464 269 L HA 0.330 4.670 4.340 -0.000 0.000 0.266 269 L C -0.120 176.647 176.870 -0.173 0.000 0.965 269 L CA -0.893 54.002 54.840 0.092 0.000 0.833 269 L CB 2.118 44.223 42.059 0.077 0.000 1.296 269 L HN 0.274 nan 8.230 nan 0.000 0.405 270 M N 5.611 124.820 119.600 -0.651 0.000 2.188 270 M HA 0.347 4.827 4.480 -0.000 0.000 0.354 270 M C -2.292 173.797 176.300 -0.352 0.000 1.342 270 M CA -1.166 53.638 55.300 -0.828 0.000 1.117 270 M CB 1.094 33.001 32.600 -1.154 0.000 1.670 270 M HN 0.166 nan 8.290 nan 0.000 0.466 271 P HA 0.006 nan 4.420 nan 0.000 0.271 271 P C -0.995 176.069 177.300 -0.394 0.000 1.218 271 P CA -0.121 62.852 63.100 -0.211 0.000 0.780 271 P CB 0.272 31.885 31.700 -0.145 0.000 0.901 272 N N 3.906 122.361 118.700 -0.408 0.000 2.411 272 N HA -0.036 4.704 4.740 -0.000 0.000 0.265 272 N C -1.185 174.007 175.510 -0.531 0.000 1.266 272 N CA -1.011 51.593 53.050 -0.743 0.000 0.889 272 N CB 0.101 38.448 38.487 -0.233 0.000 1.069 272 N HN 0.241 nan 8.380 nan 0.000 0.476 273 P HA -0.057 nan 4.420 nan 0.000 0.233 273 P C 0.368 177.574 177.300 -0.156 0.000 1.167 273 P CA 1.121 64.022 63.100 -0.332 0.000 0.770 273 P CB 0.046 31.581 31.700 -0.275 0.000 0.837 274 R N -1.754 118.662 120.500 -0.139 0.000 3.872 274 R HA 0.035 4.374 4.340 -0.000 0.000 0.341 274 R C 0.532 176.857 176.300 0.042 0.000 1.172 274 R CA 1.125 57.214 56.100 -0.018 0.000 0.901 274 R CB -2.874 nan 30.300 nan 0.000 1.422 274 R HN 0.794 nan 8.270 nan 0.000 0.523 275 G N -2.294 106.554 108.800 0.080 0.000 2.498 275 G HA2 0.625 4.584 3.960 -0.000 0.000 0.301 275 G HA3 0.625 4.584 3.960 -0.000 0.000 0.301 275 G C -1.384 173.663 174.900 0.245 0.000 1.577 275 G CA 0.242 45.426 45.100 0.140 0.000 0.868 275 G HN 1.779 nan 8.290 nan 0.000 0.599 276 Y N 0.638 120.976 120.300 0.063 0.000 2.521 276 Y HA 0.703 5.252 4.550 -0.001 0.000 0.326 276 Y C -1.531 174.375 175.900 0.010 0.000 1.176 276 Y CA -0.887 57.223 58.100 0.015 0.000 1.079 276 Y CB 2.612 41.161 38.460 0.149 0.000 1.341 276 Y HN 0.870 nan 8.280 nan 0.000 0.456 277 Q N 3.359 122.730 119.800 -0.715 0.000 2.476 277 Q HA 0.455 4.795 4.340 -0.000 0.000 0.236 277 Q C -1.545 174.072 176.000 -0.638 0.000 0.844 277 Q CA -0.304 55.173 55.803 -0.543 0.000 0.972 277 Q CB 1.390 30.029 28.738 -0.165 0.000 1.498 277 Q HN 0.780 nan 8.270 nan 0.000 0.454 278 S N 2.434 117.723 115.700 -0.684 0.000 2.634 278 S HA 0.857 5.327 4.470 -0.000 0.000 0.261 278 S C -0.273 174.152 174.600 -0.291 0.000 1.271 278 S CA 0.133 58.072 58.200 -0.435 0.000 0.985 278 S CB 0.648 63.684 63.200 -0.273 0.000 0.968 278 S HN 0.902 nan 8.310 nan 0.000 0.568 279 Y N -1.915 118.186 120.300 -0.332 0.000 2.725 279 Y HA 0.823 5.373 4.550 -0.000 0.000 0.333 279 Y C -1.633 174.115 175.900 -0.254 0.000 1.242 279 Y CA -1.612 56.202 58.100 -0.477 0.000 1.059 279 Y CB 0.685 38.786 38.460 -0.599 0.000 1.306 279 Y HN 0.794 nan 8.280 nan 0.000 0.454 280 L N 1.591 122.809 121.223 -0.009 0.000 2.469 280 L HA 0.824 5.164 4.340 -0.000 0.000 0.256 280 L C -1.974 174.863 176.870 -0.054 0.000 1.006 280 L CA -1.114 53.620 54.840 -0.177 0.000 0.832 280 L CB 2.481 44.386 42.059 -0.257 0.000 1.421 280 L HN 0.764 nan 8.230 nan 0.000 0.410 281 I N 2.300 122.750 120.570 -0.201 0.000 2.599 281 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 281 I C -0.749 175.169 176.117 -0.332 0.000 1.168 281 I CA -0.485 60.590 61.300 -0.375 0.000 1.060 281 I CB 2.299 40.045 38.000 -0.423 0.000 1.249 281 I HN 0.706 nan 8.210 nan 0.000 0.442 282 T N 4.900 119.229 114.554 -0.374 0.000 2.771 282 T HA 0.628 4.978 4.350 -0.000 0.000 0.291 282 T C -0.303 174.307 174.700 -0.149 0.000 0.954 282 T CA -0.627 61.364 62.100 -0.183 0.000 1.045 282 T CB 0.967 69.786 68.868 -0.081 0.000 0.917 282 T HN 0.320 nan 8.240 nan 0.000 0.484 283 L N 6.127 127.330 121.223 -0.034 0.000 2.276 283 L HA 0.312 4.652 4.340 -0.000 0.000 0.286 283 L C -1.096 175.793 176.870 0.031 0.000 1.061 283 L CA -2.454 52.392 54.840 0.010 0.000 0.807 283 L CB 1.540 43.656 42.059 0.096 0.000 1.177 283 L HN 0.458 nan 8.230 nan 0.000 0.429 284 P HA -0.144 nan 4.420 nan 0.000 0.212 284 P C 0.297 177.615 177.300 0.031 0.000 1.180 284 P CA 1.113 64.221 63.100 0.013 0.000 0.906 284 P CB 0.354 32.057 31.700 0.005 0.000 0.782 285 K N -0.323 120.110 120.400 0.055 0.000 2.107 285 K HA 0.032 4.352 4.320 -0.000 0.000 0.251 285 K C 1.116 177.814 176.600 0.163 0.000 1.012 285 K CA -0.225 56.108 56.287 0.076 0.000 0.920 285 K CB 0.591 33.129 32.500 0.063 0.000 1.033 285 K HN -0.261 nan 8.250 nan 0.000 0.478 286 D N 2.030 122.523 120.400 0.154 0.000 2.097 286 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 286 D C 1.564 178.105 176.300 0.402 0.000 0.984 286 D CA 1.757 55.928 54.000 0.284 0.000 0.826 286 D CB -0.371 40.554 40.800 0.209 0.000 0.973 286 D HN 0.767 nan 8.370 nan 0.000 0.460 287 G N -0.237 108.694 108.800 0.217 0.000 2.498 287 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 287 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 287 G C 1.209 176.141 174.900 0.055 0.000 1.119 287 G CA 0.617 45.797 45.100 0.134 0.000 0.766 287 G HN 0.213 nan 8.290 nan 0.000 0.552 288 D N 0.045 120.490 120.400 0.074 0.000 2.351 288 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 288 D C 2.280 178.499 176.300 -0.134 0.000 0.968 288 D CA 0.126 54.125 54.000 -0.002 0.000 0.899 288 D CB -0.052 40.771 40.800 0.039 0.000 0.907 288 D HN 0.293 nan 8.370 nan 0.000 0.514 289 L N 1.359 122.409 121.223 -0.287 0.000 2.043 289 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 289 L C 2.023 178.632 176.870 -0.434 0.000 1.075 289 L CA 1.870 56.298 54.840 -0.687 0.000 0.752 289 L CB -0.463 40.928 42.059 -1.113 0.000 0.891 289 L HN -0.124 nan 8.230 nan 0.000 0.432 290 K N -0.948 119.297 120.400 -0.258 0.000 1.991 290 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 290 K C 2.107 178.600 176.600 -0.178 0.000 1.049 290 K CA 2.117 58.293 56.287 -0.186 0.000 0.932 290 K CB -0.288 32.155 32.500 -0.094 0.000 0.717 290 K HN 0.530 nan 8.250 nan 0.000 0.441 291 Q N -0.225 119.487 119.800 -0.147 0.000 2.124 291 Q HA -0.145 4.194 4.340 -0.000 0.000 0.202 291 Q C 2.165 178.037 176.000 -0.214 0.000 0.977 291 Q CA 1.343 57.052 55.803 -0.156 0.000 0.850 291 Q CB -0.174 28.487 28.738 -0.129 0.000 0.901 291 Q HN 0.466 nan 8.270 nan 0.000 0.429 292 A N 0.558 123.255 122.820 -0.205 0.000 1.883 292 A HA -0.180 4.139 4.320 -0.000 0.000 0.217 292 A C 2.362 179.786 177.584 -0.265 0.000 1.186 292 A CA 1.636 53.546 52.037 -0.211 0.000 0.624 292 A CB -0.863 18.093 19.000 -0.074 0.000 0.822 292 A HN 0.220 nan 8.150 nan 0.000 0.444 293 V N 0.746 120.502 119.914 -0.264 0.000 2.287 293 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 293 V C 2.174 178.145 176.094 -0.205 0.000 1.053 293 V CA 2.356 64.509 62.300 -0.245 0.000 1.027 293 V CB -0.865 30.784 31.823 -0.291 0.000 0.646 293 V HN 0.522 nan 8.190 nan 0.000 0.447 294 D N -0.049 120.231 120.400 -0.200 0.000 2.178 294 D HA -0.105 4.534 4.640 -0.000 0.000 0.201 294 D C 2.036 178.207 176.300 -0.214 0.000 0.980 294 D CA 1.271 55.168 54.000 -0.172 0.000 0.842 294 D CB -0.169 40.545 40.800 -0.144 0.000 0.948 294 D HN 0.427 nan 8.370 nan 0.000 0.472 295 I N 0.598 120.979 120.570 -0.316 0.000 2.394 295 I HA -0.178 3.991 4.170 -0.000 0.000 0.251 295 I C 2.288 178.163 176.117 -0.404 0.000 1.136 295 I CA 0.609 61.651 61.300 -0.431 0.000 1.425 295 I CB -0.098 37.449 38.000 -0.755 0.000 1.079 295 I HN -0.045 nan 8.210 nan 0.000 0.425 296 I N 0.330 120.696 120.570 -0.339 0.000 2.353 296 I HA -0.234 3.935 4.170 -0.000 0.000 0.248 296 I C 2.753 178.824 176.117 -0.076 0.000 1.119 296 I CA 0.838 62.034 61.300 -0.174 0.000 1.417 296 I CB -0.462 37.494 38.000 -0.072 0.000 1.078 296 I HN 0.191 nan 8.210 nan 0.000 0.421 297 R N 1.617 122.066 120.500 -0.085 0.000 2.136 297 R HA -0.213 4.126 4.340 -0.000 0.000 0.242 297 R C -0.429 175.852 176.300 -0.032 0.000 1.131 297 R CA 2.607 58.679 56.100 -0.046 0.000 0.937 297 R CB -1.391 28.874 30.300 -0.058 0.000 0.863 297 R HN 0.251 nan 8.270 nan 0.000 0.435 298 P HA -0.115 nan 4.420 nan 0.000 0.219 298 P C 1.438 178.724 177.300 -0.024 0.000 1.150 298 P CA 1.260 64.335 63.100 -0.042 0.000 0.814 298 P CB -0.105 31.556 31.700 -0.064 0.000 0.787 299 L N -1.145 120.061 121.223 -0.029 0.000 2.093 299 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 299 L C 3.035 179.940 176.870 0.060 0.000 1.085 299 L CA 1.153 56.001 54.840 0.013 0.000 0.755 299 L CB -0.657 41.415 42.059 0.022 0.000 0.904 299 L HN -0.111 nan 8.230 nan 0.000 0.435 300 R N 0.403 120.941 120.500 0.063 0.000 2.062 300 R HA -0.063 4.276 4.340 -0.000 0.000 0.231 300 R C 2.259 178.593 176.300 0.056 0.000 1.136 300 R CA 1.333 57.483 56.100 0.082 0.000 0.948 300 R CB -0.702 29.648 30.300 0.084 0.000 0.845 300 R HN 0.347 nan 8.270 nan 0.000 0.430 301 L N -0.682 120.561 121.223 0.033 0.000 2.083 301 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 301 L C 2.260 179.144 176.870 0.023 0.000 1.083 301 L CA 1.436 56.290 54.840 0.024 0.000 0.752 301 L CB -0.703 41.363 42.059 0.011 0.000 0.899 301 L HN 0.310 nan 8.230 nan 0.000 0.433 302 G N -1.448 107.365 108.800 0.021 0.000 2.776 302 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.209 302 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.209 302 G C 1.115 176.036 174.900 0.035 0.000 1.145 302 G CA -0.020 45.091 45.100 0.019 0.000 0.791 302 G HN 0.415 nan 8.290 nan 0.000 0.530 303 M N -1.591 118.040 119.600 0.051 0.000 2.872 303 M HA -0.281 4.199 4.480 -0.000 0.000 0.200 303 M C 1.767 178.122 176.300 0.091 0.000 0.582 303 M CA 0.363 55.703 55.300 0.068 0.000 0.706 303 M CB -1.656 30.976 32.600 0.052 0.000 2.560 303 M HN 0.357 nan 8.290 nan 0.000 0.476 304 A N 0.360 123.236 122.820 0.093 0.000 1.854 304 A HA 0.157 4.477 4.320 -0.000 0.000 0.214 304 A C 0.996 178.687 177.584 0.178 0.000 1.192 304 A CA 0.836 52.938 52.037 0.108 0.000 0.611 304 A CB 0.030 19.076 19.000 0.076 0.000 0.832 304 A HN 0.497 nan 8.150 nan 0.000 0.442 305 L N 1.034 122.381 121.223 0.207 0.000 2.315 305 L HA 0.105 4.444 4.340 -0.000 0.000 0.283 305 L C 1.161 178.183 176.870 0.252 0.000 1.089 305 L CA -0.363 54.656 54.840 0.299 0.000 0.833 305 L CB 1.018 43.277 42.059 0.333 0.000 1.170 305 L HN 0.532 nan 8.230 nan 0.000 0.442 306 Q N 2.106 122.085 119.800 0.299 0.000 2.061 306 Q HA -0.040 4.299 4.340 -0.000 0.000 0.195 306 Q C 0.647 176.740 176.000 0.155 0.000 0.967 306 Q CA 0.697 56.634 55.803 0.223 0.000 0.829 306 Q CB 0.045 28.949 28.738 0.278 0.000 0.900 306 Q HN 0.758 nan 8.270 nan 0.000 0.450 307 N N 0.422 119.270 118.700 0.246 0.000 2.431 307 N HA 0.087 4.827 4.740 -0.000 0.000 0.289 307 N C -0.330 175.286 175.510 0.176 0.000 1.277 307 N CA -0.452 52.709 53.050 0.184 0.000 0.972 307 N CB 0.356 39.053 38.487 0.351 0.000 1.143 307 N HN -0.142 nan 8.380 nan 0.000 0.578 308 V N 1.695 121.698 119.914 0.147 0.000 2.338 308 V HA 0.258 4.377 4.120 -0.000 0.000 0.255 308 V C -1.901 174.292 176.094 0.166 0.000 1.082 308 V CA -1.061 61.305 62.300 0.110 0.000 0.951 308 V CB -0.076 31.745 31.823 -0.004 0.000 1.102 308 V HN 0.673 nan 8.190 nan 0.000 0.489 309 P HA 0.476 nan 4.420 nan 0.000 0.277 309 P C -0.351 176.918 177.300 -0.051 0.000 1.271 309 P CA -0.215 62.842 63.100 -0.072 0.000 0.795 309 P CB 0.829 32.455 31.700 -0.123 0.000 1.101 310 T N -2.976 111.448 114.554 -0.217 0.000 3.105 310 T HA 0.564 4.914 4.350 -0.000 0.000 0.321 310 T C -0.460 174.247 174.700 0.012 0.000 1.135 310 T CA -0.661 61.423 62.100 -0.027 0.000 1.053 310 T CB 0.066 68.921 68.868 -0.021 0.000 1.133 310 T HN 0.167 nan 8.240 nan 0.000 0.463 311 I N 3.455 124.145 120.570 0.199 0.000 2.301 311 I HA 0.355 4.524 4.170 -0.000 0.000 0.292 311 I C 0.702 177.046 176.117 0.378 0.000 1.046 311 I CA -0.714 60.774 61.300 0.314 0.000 1.282 311 I CB 0.599 38.750 38.000 0.252 0.000 1.409 311 I HN 0.415 nan 8.210 nan 0.000 0.484 312 R N 4.583 125.303 120.500 0.366 0.000 2.407 312 R HA 0.365 4.704 4.340 -0.000 0.000 0.303 312 R C 0.020 176.518 176.300 0.331 0.000 0.981 312 R CA -0.870 55.403 56.100 0.288 0.000 0.905 312 R CB 1.382 31.751 30.300 0.115 0.000 1.099 312 R HN 0.539 nan 8.270 nan 0.000 0.459 313 H N 2.929 122.063 119.070 0.107 0.000 2.679 313 H HA 0.063 4.619 4.556 -0.000 0.000 0.369 313 H C 1.202 176.388 175.328 -0.236 0.000 1.178 313 H CA 0.247 56.142 56.048 -0.255 0.000 1.419 313 H CB 0.948 30.575 29.762 -0.226 0.000 1.458 313 H HN 0.587 nan 8.280 nan 0.000 0.605 314 I N 2.801 123.024 120.570 -0.579 0.000 2.163 314 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 314 I C 2.575 178.636 176.117 -0.093 0.000 1.085 314 I CA 1.067 62.208 61.300 -0.265 0.000 1.347 314 I CB -0.248 37.545 38.000 -0.345 0.000 1.044 314 I HN 0.534 nan 8.210 nan 0.000 0.408 315 L N 0.101 121.350 121.223 0.045 0.000 2.131 315 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 315 L C 2.614 179.266 176.870 -0.364 0.000 1.092 315 L CA 0.793 55.465 54.840 -0.279 0.000 0.759 315 L CB -0.541 41.222 42.059 -0.493 0.000 0.903 315 L HN 0.315 nan 8.230 nan 0.000 0.435 316 L N 0.134 121.195 121.223 -0.271 0.000 2.017 316 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 316 L C 2.019 178.766 176.870 -0.205 0.000 1.073 316 L CA 1.946 56.570 54.840 -0.360 0.000 0.745 316 L CB -0.634 41.199 42.059 -0.377 0.000 0.894 316 L HN 0.189 nan 8.230 nan 0.000 0.432 317 D N -0.247 120.089 120.400 -0.107 0.000 2.178 317 D HA -0.097 4.542 4.640 -0.000 0.000 0.202 317 D C 2.169 178.492 176.300 0.038 0.000 0.974 317 D CA 1.383 55.372 54.000 -0.018 0.000 0.841 317 D CB -0.153 40.677 40.800 0.050 0.000 0.953 317 D HN 0.508 nan 8.370 nan 0.000 0.478 318 A N 0.957 123.777 122.820 -0.001 0.000 1.929 318 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 318 A C 2.291 180.024 177.584 0.247 0.000 1.176 318 A CA 1.624 53.719 52.037 0.098 0.000 0.628 318 A CB -0.550 18.374 19.000 -0.126 0.000 0.816 318 A HN 0.204 nan 8.150 nan 0.000 0.444 319 A N -0.442 122.452 122.820 0.124 0.000 1.978 319 A HA -0.024 4.296 4.320 -0.000 0.000 0.220 319 A C 2.149 179.939 177.584 0.344 0.000 1.170 319 A CA 1.827 54.061 52.037 0.327 0.000 0.636 319 A CB -0.737 18.348 19.000 0.142 0.000 0.810 319 A HN 0.374 nan 8.150 nan 0.000 0.448 320 V N -0.265 119.799 119.914 0.251 0.000 2.453 320 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 320 V C 2.379 178.581 176.094 0.181 0.000 1.048 320 V CA 1.650 64.078 62.300 0.213 0.000 1.049 320 V CB -0.493 31.425 31.823 0.159 0.000 0.672 320 V HN 0.570 nan 8.190 nan 0.000 0.457 321 L N -0.672 120.678 121.223 0.211 0.000 2.270 321 L HA 0.361 4.700 4.340 -0.000 0.000 0.210 321 L C 1.014 178.019 176.870 0.226 0.000 1.104 321 L CA 0.955 55.916 54.840 0.202 0.000 0.804 321 L CB -0.183 42.005 42.059 0.215 0.000 0.937 321 L HN 0.496 nan 8.230 nan 0.000 0.450 322 G N -1.254 107.770 108.800 0.372 0.000 2.579 322 G HA2 0.176 4.136 3.960 -0.000 0.000 0.292 322 G HA3 0.176 4.136 3.960 -0.000 0.000 0.292 322 G C -2.034 173.175 174.900 0.515 0.000 1.484 322 G CA -0.576 44.716 45.100 0.319 0.000 0.813 322 G HN -0.209 nan 8.290 nan 0.000 0.515 323 D N -0.013 120.506 120.400 0.198 0.000 2.382 323 D HA 0.092 4.732 4.640 -0.000 0.000 0.240 323 D C 1.428 177.627 176.300 -0.168 0.000 1.146 323 D CA -0.363 53.664 54.000 0.044 0.000 0.897 323 D CB 1.579 42.344 40.800 -0.060 0.000 1.197 323 D HN 0.427 nan 8.370 nan 0.000 0.432 324 K N 2.212 122.105 120.400 -0.845 0.000 2.097 324 K HA -0.145 4.174 4.320 -0.000 0.000 0.206 324 K C 1.888 178.244 176.600 -0.406 0.000 1.049 324 K CA 0.924 56.451 56.287 -1.266 0.000 0.933 324 K CB 0.133 31.589 32.500 -1.741 0.000 0.717 324 K HN 0.352 nan 8.250 nan 0.000 0.442 325 R N 0.312 120.627 120.500 -0.309 0.000 2.127 325 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 325 R C 2.171 178.388 176.300 -0.140 0.000 1.134 325 R CA 1.613 57.608 56.100 -0.175 0.000 0.975 325 R CB -0.299 29.915 30.300 -0.144 0.000 0.865 325 R HN 0.272 nan 8.270 nan 0.000 0.447 326 S N -0.813 114.779 115.700 -0.180 0.000 2.720 326 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 326 S C 0.701 175.051 174.600 -0.417 0.000 0.958 326 S CA 0.388 58.416 58.200 -0.287 0.000 0.943 326 S CB -0.023 62.959 63.200 -0.362 0.000 0.779 326 S HN 0.380 nan 8.310 nan 0.000 0.526 327 Y N 0.165 120.419 120.300 -0.077 0.000 2.438 327 Y HA 0.415 4.965 4.550 -0.001 0.000 0.274 327 Y C 0.406 176.290 175.900 -0.026 0.000 1.085 327 Y CA -0.514 57.573 58.100 -0.022 0.000 1.199 327 Y CB 0.917 39.396 38.460 0.032 0.000 1.317 327 Y HN 0.238 nan 8.280 nan 0.000 0.545 328 S N -0.725 115.022 115.700 0.079 0.000 2.570 328 S HA 0.129 4.599 4.470 -0.000 0.000 0.286 328 S C 0.359 174.950 174.600 -0.015 0.000 1.143 328 S CA -0.346 57.877 58.200 0.038 0.000 0.921 328 S CB 1.186 64.425 63.200 0.064 0.000 1.108 328 S HN 0.175 nan 8.310 nan 0.000 0.456 329 S N 1.117 116.810 115.700 -0.012 0.000 2.515 329 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 329 S C 0.803 175.392 174.600 -0.018 0.000 0.987 329 S CA 0.127 58.312 58.200 -0.023 0.000 0.936 329 S CB -0.141 63.049 63.200 -0.016 0.000 0.766 329 S HN 0.659 nan 8.310 nan 0.000 0.528 330 R N 2.360 122.858 120.500 -0.004 0.000 2.522 330 R HA 0.056 4.395 4.340 -0.000 0.000 0.284 330 R C 0.710 177.008 176.300 -0.003 0.000 1.032 330 R CA 0.988 57.091 56.100 0.006 0.000 1.049 330 R CB 0.291 30.606 30.300 0.025 0.000 0.956 330 R HN 0.414 nan 8.270 nan 0.000 0.422 331 T N 0.249 114.804 114.554 0.003 0.000 3.235 331 T HA 0.191 4.541 4.350 -0.000 0.000 0.251 331 T C 0.004 174.719 174.700 0.024 0.000 1.060 331 T CA -0.115 61.987 62.100 0.004 0.000 0.949 331 T CB -0.014 68.855 68.868 0.001 0.000 1.020 331 T HN 0.632 nan 8.240 nan 0.000 0.564 332 E N 0.882 121.105 120.200 0.038 0.000 2.445 332 E HA 0.423 4.773 4.350 -0.000 0.000 0.273 332 E C -3.031 173.619 176.600 0.083 0.000 0.961 332 E CA -3.079 53.354 56.400 0.055 0.000 0.807 332 E CB 1.287 31.012 29.700 0.042 0.000 1.362 332 E HN -0.022 nan 8.360 nan 0.000 0.453 333 P HA -0.042 nan 4.420 nan 0.000 0.262 333 P C -0.604 176.760 177.300 0.107 0.000 1.182 333 P CA 0.630 63.800 63.100 0.116 0.000 0.761 333 P CB 0.228 31.984 31.700 0.094 0.000 0.795 334 L N 2.186 123.491 121.223 0.137 0.000 2.456 334 L HA 0.090 4.429 4.340 -0.000 0.000 0.272 334 L C 1.101 178.027 176.870 0.093 0.000 1.189 334 L CA 0.038 54.949 54.840 0.118 0.000 0.846 334 L CB 0.052 42.202 42.059 0.152 0.000 1.111 334 L HN 0.380 nan 8.230 nan 0.000 0.475 335 S N 0.885 116.629 115.700 0.073 0.000 2.600 335 S HA 0.005 4.475 4.470 -0.000 0.000 0.265 335 S C 0.708 175.342 174.600 0.056 0.000 1.325 335 S CA -0.775 57.460 58.200 0.059 0.000 1.002 335 S CB 0.933 64.162 63.200 0.048 0.000 0.921 335 S HN 0.584 nan 8.310 nan 0.000 0.554 336 D N 1.508 121.937 120.400 0.048 0.000 2.182 336 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 336 D C 1.647 177.967 176.300 0.033 0.000 0.986 336 D CA 1.254 55.279 54.000 0.041 0.000 0.847 336 D CB -0.125 40.700 40.800 0.041 0.000 0.942 336 D HN 0.509 nan 8.370 nan 0.000 0.467 337 E N 1.023 121.244 120.200 0.035 0.000 2.031 337 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 337 E C 2.031 178.653 176.600 0.036 0.000 0.994 337 E CA 0.890 57.309 56.400 0.032 0.000 0.800 337 E CB -0.290 29.430 29.700 0.033 0.000 0.752 337 E HN 0.404 nan 8.360 nan 0.000 0.447 338 E N 0.269 120.496 120.200 0.045 0.000 2.160 338 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 338 E C 2.048 178.676 176.600 0.045 0.000 0.991 338 E CA 0.751 57.183 56.400 0.054 0.000 0.810 338 E CB -0.147 29.595 29.700 0.069 0.000 0.742 338 E HN 0.221 nan 8.360 nan 0.000 0.466 339 L N 0.988 122.231 121.223 0.034 0.000 2.056 339 L HA -0.178 4.161 4.340 -0.000 0.000 0.207 339 L C 1.895 178.754 176.870 -0.017 0.000 1.078 339 L CA 0.832 55.674 54.840 0.004 0.000 0.749 339 L CB -0.337 41.722 42.059 0.001 0.000 0.901 339 L HN 0.057 nan 8.230 nan 0.000 0.433 340 D N 0.197 120.595 120.400 -0.004 0.000 2.144 340 D HA -0.195 4.444 4.640 -0.000 0.000 0.199 340 D C 2.077 178.384 176.300 0.011 0.000 0.984 340 D CA 1.087 55.085 54.000 -0.004 0.000 0.834 340 D CB -0.024 40.780 40.800 0.008 0.000 0.955 340 D HN 0.252 nan 8.370 nan 0.000 0.465 341 K N 0.707 121.123 120.400 0.027 0.000 2.026 341 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 341 K C 2.198 178.832 176.600 0.056 0.000 1.048 341 K CA 0.773 57.086 56.287 0.043 0.000 0.929 341 K CB -0.119 32.413 32.500 0.054 0.000 0.713 341 K HN 0.074 nan 8.250 nan 0.000 0.439 342 I N 1.079 121.682 120.570 0.055 0.000 2.361 342 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 342 I C 2.450 178.598 176.117 0.051 0.000 1.133 342 I CA 1.056 62.400 61.300 0.073 0.000 1.413 342 I CB -0.374 37.626 38.000 0.001 0.000 1.073 342 I HN 0.268 nan 8.210 nan 0.000 0.424 343 A N 0.747 123.575 122.820 0.014 0.000 1.930 343 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 343 A C 2.405 180.007 177.584 0.031 0.000 1.175 343 A CA 1.602 53.644 52.037 0.008 0.000 0.627 343 A CB -0.419 18.568 19.000 -0.022 0.000 0.815 343 A HN 0.336 nan 8.150 nan 0.000 0.443 344 K N -0.343 120.078 120.400 0.034 0.000 2.097 344 K HA -0.175 4.144 4.320 -0.000 0.000 0.205 344 K C 2.200 178.827 176.600 0.044 0.000 1.050 344 K CA 1.502 57.812 56.287 0.037 0.000 0.938 344 K CB -0.179 32.342 32.500 0.035 0.000 0.718 344 K HN 0.653 nan 8.250 nan 0.000 0.442 345 Q N 0.243 120.079 119.800 0.061 0.000 2.050 345 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 345 Q C 1.992 178.032 176.000 0.066 0.000 0.980 345 Q CA 1.382 57.228 55.803 0.071 0.000 0.840 345 Q CB -0.028 28.777 28.738 0.112 0.000 0.898 345 Q HN 0.332 nan 8.270 nan 0.000 0.424 346 L N 0.301 121.571 121.223 0.077 0.000 2.558 346 L HA 0.043 4.382 4.340 -0.000 0.000 0.225 346 L C -0.009 176.881 176.870 0.033 0.000 1.128 346 L CA -0.093 54.787 54.840 0.068 0.000 0.868 346 L CB -0.047 42.070 42.059 0.096 0.000 1.006 346 L HN 0.275 nan 8.230 nan 0.000 0.454 347 N N -0.720 117.996 118.700 0.028 0.000 2.909 347 N HA -0.155 4.584 4.740 -0.000 0.000 0.242 347 N C -0.190 175.361 175.510 0.069 0.000 0.975 347 N CA 0.884 53.943 53.050 0.015 0.000 0.921 347 N CB -1.427 37.028 38.487 -0.052 0.000 1.112 347 N HN 0.234 nan 8.380 nan 0.000 0.581 348 L N -0.017 121.246 121.223 0.067 0.000 2.416 348 L HA 0.656 4.996 4.340 -0.000 0.000 0.262 348 L C 1.634 178.528 176.870 0.040 0.000 1.093 348 L CA -0.497 54.389 54.840 0.076 0.000 0.801 348 L CB 0.852 42.945 42.059 0.057 0.000 1.191 348 L HN 0.095 nan 8.230 nan 0.000 0.459 349 G N -0.347 108.466 108.800 0.022 0.000 2.557 349 G HA2 0.227 4.187 3.960 -0.000 0.000 0.292 349 G HA3 0.227 4.187 3.960 -0.000 0.000 0.292 349 G C 0.432 175.294 174.900 -0.064 0.000 1.237 349 G CA -0.479 44.618 45.100 -0.004 0.000 0.978 349 G HN 0.718 nan 8.290 nan 0.000 0.498 350 R N -1.393 119.051 120.500 -0.095 0.000 2.316 350 R HA 0.072 4.412 4.340 -0.000 0.000 0.202 350 R C -0.657 175.290 176.300 -0.588 0.000 1.029 350 R CA 0.246 56.167 56.100 -0.300 0.000 1.018 350 R CB 0.079 30.244 30.300 -0.225 0.000 0.888 350 R HN 0.519 nan 8.270 nan 0.000 0.471 351 W N -1.124 120.096 121.300 -0.132 0.000 3.296 351 W HA 0.346 5.006 4.660 -0.000 0.000 0.314 351 W C -1.320 175.176 176.519 -0.038 0.000 1.238 351 W CA -0.919 56.368 57.345 -0.097 0.000 1.193 351 W CB 1.619 31.027 29.460 -0.087 0.000 1.383 351 W HN -0.139 nan 8.180 nan 0.000 0.545 352 N N 2.185 121.060 118.700 0.291 0.000 2.519 352 N HA 0.297 5.037 4.740 -0.000 0.000 0.291 352 N C -1.814 173.804 175.510 0.181 0.000 1.107 352 N CA -0.737 52.397 53.050 0.141 0.000 0.904 352 N CB 1.785 40.330 38.487 0.097 0.000 1.500 352 N HN 0.286 nan 8.380 nan 0.000 0.510 353 F N 3.751 123.640 119.950 -0.102 0.000 2.404 353 F HA 0.363 4.890 4.527 -0.001 0.000 0.359 353 F C -0.893 174.770 175.800 -0.228 0.000 1.134 353 F CA -0.264 57.682 58.000 -0.091 0.000 1.160 353 F CB 0.020 38.913 39.000 -0.178 0.000 1.186 353 F HN 0.395 nan 8.300 nan 0.000 0.526 354 Y N 3.865 123.820 120.300 -0.575 0.000 2.352 354 Y HA 0.715 5.265 4.550 -0.000 0.000 0.326 354 Y C 0.746 176.068 175.900 -0.964 0.000 1.166 354 Y CA -0.211 57.527 58.100 -0.603 0.000 1.182 354 Y CB 1.637 39.868 38.460 -0.381 0.000 1.216 354 Y HN 0.714 nan 8.280 nan 0.000 0.474 355 G N -0.362 107.913 108.800 -0.874 0.000 2.570 355 G HA2 0.758 4.717 3.960 -0.000 0.000 0.310 355 G HA3 0.758 4.717 3.960 -0.000 0.000 0.310 355 G C -1.927 172.601 174.900 -0.620 0.000 1.266 355 G CA -0.217 44.452 45.100 -0.718 0.000 0.825 355 G HN 0.928 nan 8.290 nan 0.000 0.483 356 A N -1.430 121.370 122.820 -0.033 0.000 2.566 356 A HA 0.794 5.113 4.320 -0.000 0.000 0.290 356 A C -1.943 175.831 177.584 0.317 0.000 1.071 356 A CA -0.527 51.573 52.037 0.106 0.000 0.658 356 A CB 0.841 19.823 19.000 -0.030 0.000 1.285 356 A HN 1.144 nan 8.150 nan 0.000 0.427 357 L N 0.103 121.343 121.223 0.029 0.000 2.381 357 L HA 0.730 5.069 4.340 -0.000 0.000 0.268 357 L C -1.695 175.140 176.870 -0.058 0.000 0.997 357 L CA -0.574 54.353 54.840 0.144 0.000 0.818 357 L CB 2.123 44.271 42.059 0.148 0.000 1.310 357 L HN 0.748 nan 8.230 nan 0.000 0.416 358 Y N 0.638 121.071 120.300 0.222 0.000 2.433 358 Y HA 0.797 5.346 4.550 -0.001 0.000 0.337 358 Y C 0.459 176.416 175.900 0.095 0.000 1.026 358 Y CA -0.748 57.461 58.100 0.181 0.000 1.037 358 Y CB 2.428 40.971 38.460 0.138 0.000 1.245 358 Y HN 0.732 nan 8.280 nan 0.000 0.443 359 G N 2.442 111.359 108.800 0.195 0.000 2.369 359 G HA2 0.207 4.166 3.960 -0.000 0.000 0.295 359 G HA3 0.207 4.166 3.960 -0.000 0.000 0.295 359 G C -3.467 171.482 174.900 0.082 0.000 1.298 359 G CA -1.278 43.891 45.100 0.113 0.000 0.940 359 G HN 0.263 nan 8.290 nan 0.000 0.536 360 P HA 0.237 nan 4.420 nan 0.000 0.272 360 P C 0.903 178.234 177.300 0.053 0.000 1.240 360 P CA -0.098 63.030 63.100 0.046 0.000 0.791 360 P CB 0.863 32.584 31.700 0.033 0.000 0.978 361 E N 2.097 122.322 120.200 0.043 0.000 2.097 361 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 361 E C -0.855 175.771 176.600 0.045 0.000 1.000 361 E CA 1.895 58.319 56.400 0.040 0.000 0.804 361 E CB -1.339 28.376 29.700 0.025 0.000 0.740 361 E HN 0.361 nan 8.360 nan 0.000 0.454 362 P HA -0.160 nan 4.420 nan 0.000 0.216 362 P C 1.263 178.593 177.300 0.049 0.000 1.150 362 P CA 1.036 64.159 63.100 0.038 0.000 0.837 362 P CB 0.016 31.733 31.700 0.029 0.000 0.786 363 I N -0.777 119.827 120.570 0.057 0.000 2.193 363 I HA -0.115 4.055 4.170 -0.000 0.000 0.240 363 I C 2.386 178.559 176.117 0.093 0.000 1.084 363 I CA 1.378 62.720 61.300 0.070 0.000 1.365 363 I CB -1.275 36.769 38.000 0.074 0.000 1.064 363 I HN -0.057 nan 8.210 nan 0.000 0.410 364 R N 0.225 120.785 120.500 0.100 0.000 2.096 364 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 364 R C 2.458 178.845 176.300 0.144 0.000 1.139 364 R CA 1.631 57.804 56.100 0.122 0.000 0.952 364 R CB -0.365 29.992 30.300 0.094 0.000 0.854 364 R HN 0.265 nan 8.270 nan 0.000 0.436 365 R N 0.468 121.035 120.500 0.111 0.000 2.083 365 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 365 R C 2.091 178.471 176.300 0.134 0.000 1.137 365 R CA 1.783 57.961 56.100 0.129 0.000 0.951 365 R CB -0.231 30.115 30.300 0.077 0.000 0.851 365 R HN 0.090 nan 8.270 nan 0.000 0.434 366 V N 1.556 121.523 119.914 0.088 0.000 2.295 366 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 366 V C 2.419 178.546 176.094 0.055 0.000 1.049 366 V CA 1.776 64.110 62.300 0.057 0.000 1.024 366 V CB -0.467 31.381 31.823 0.042 0.000 0.648 366 V HN 0.340 nan 8.190 nan 0.000 0.447 367 L N -1.018 120.260 121.223 0.092 0.000 2.046 367 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 367 L C 2.448 179.360 176.870 0.070 0.000 1.077 367 L CA 2.042 56.935 54.840 0.088 0.000 0.747 367 L CB -0.638 41.505 42.059 0.141 0.000 0.896 367 L HN 0.553 nan 8.230 nan 0.000 0.432 368 W N 1.594 122.856 121.300 -0.062 0.000 2.350 368 W HA -0.196 4.464 4.660 -0.001 0.000 0.289 368 W C 2.182 178.612 176.519 -0.148 0.000 1.215 368 W CA 1.398 58.665 57.345 -0.130 0.000 1.236 368 W CB 0.108 29.521 29.460 -0.079 0.000 1.130 368 W HN 0.234 nan 8.180 nan 0.000 0.541 369 E N -0.082 120.000 120.200 -0.198 0.000 2.015 369 E HA -0.167 4.182 4.350 -0.000 0.000 0.191 369 E C 2.026 178.428 176.600 -0.330 0.000 0.991 369 E CA 2.231 58.459 56.400 -0.286 0.000 0.802 369 E CB -1.007 28.629 29.700 -0.106 0.000 0.759 369 E HN 0.183 nan 8.360 nan 0.000 0.447 370 T N 2.297 116.730 114.554 -0.202 0.000 2.665 370 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 370 T C 2.168 176.740 174.700 -0.212 0.000 1.035 370 T CA 1.344 63.346 62.100 -0.164 0.000 1.151 370 T CB -0.303 68.513 68.868 -0.086 0.000 0.862 370 T HN 0.114 nan 8.240 nan 0.000 0.438 371 I N 0.734 121.138 120.570 -0.276 0.000 2.163 371 I HA -0.164 4.006 4.170 -0.000 0.000 0.240 371 I C 2.679 178.573 176.117 -0.371 0.000 1.081 371 I CA 1.373 62.521 61.300 -0.253 0.000 1.353 371 I CB -0.410 37.399 38.000 -0.319 0.000 1.054 371 I HN 0.182 nan 8.210 nan 0.000 0.407 372 K N 1.030 120.880 120.400 -0.917 0.000 2.063 372 K HA -0.230 4.089 4.320 -0.000 0.000 0.208 372 K C 1.669 177.998 176.600 -0.450 0.000 1.048 372 K CA 2.032 57.671 56.287 -1.081 0.000 0.928 372 K CB -0.052 31.454 32.500 -1.658 0.000 0.713 372 K HN 0.238 nan 8.250 nan 0.000 0.442 373 D N 0.344 120.528 120.400 -0.361 0.000 2.144 373 D HA -0.133 4.506 4.640 -0.000 0.000 0.199 373 D C 1.764 177.993 176.300 -0.118 0.000 0.984 373 D CA 1.313 55.198 54.000 -0.192 0.000 0.834 373 D CB -0.207 40.490 40.800 -0.171 0.000 0.955 373 D HN 0.374 nan 8.370 nan 0.000 0.465 374 A N 0.268 123.009 122.820 -0.132 0.000 1.873 374 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 374 A C 1.977 179.456 177.584 -0.175 0.000 1.186 374 A CA 0.813 52.752 52.037 -0.164 0.000 0.616 374 A CB -1.017 17.852 19.000 -0.220 0.000 0.823 374 A HN 0.154 nan 8.150 nan 0.000 0.442 375 F N 0.998 120.889 119.950 -0.099 0.000 2.451 375 F HA -0.084 4.443 4.527 -0.001 0.000 0.299 375 F C 2.490 178.284 175.800 -0.010 0.000 1.101 375 F CA 1.213 59.177 58.000 -0.060 0.000 1.436 375 F CB -0.079 38.904 39.000 -0.029 0.000 1.074 375 F HN 0.119 nan 8.300 nan 0.000 0.553 376 S N -0.108 115.702 115.700 0.183 0.000 2.469 376 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 376 S C 2.334 176.952 174.600 0.031 0.000 0.998 376 S CA 0.749 59.025 58.200 0.126 0.000 0.957 376 S CB -0.449 62.809 63.200 0.097 0.000 0.764 376 S HN 0.398 nan 8.310 nan 0.000 0.514 377 A N 1.135 123.944 122.820 -0.020 0.000 2.076 377 A HA 0.053 4.373 4.320 -0.000 0.000 0.220 377 A C 0.904 178.464 177.584 -0.039 0.000 1.160 377 A CA 0.671 52.679 52.037 -0.048 0.000 0.653 377 A CB -0.537 18.409 19.000 -0.091 0.000 0.801 377 A HN 0.486 nan 8.150 nan 0.000 0.455 378 I N 1.123 121.677 120.570 -0.027 0.000 2.396 378 I HA 0.160 4.330 4.170 -0.000 0.000 0.289 378 I C -2.396 173.711 176.117 -0.017 0.000 1.056 378 I CA -2.002 59.284 61.300 -0.024 0.000 1.365 378 I CB 1.129 39.124 38.000 -0.008 0.000 1.407 378 I HN 0.008 nan 8.210 nan 0.000 0.509 379 P HA 0.127 nan 4.420 nan 0.000 0.271 379 P C 0.744 178.034 177.300 -0.017 0.000 1.216 379 P CA 0.340 63.433 63.100 -0.010 0.000 0.771 379 P CB 0.925 32.621 31.700 -0.006 0.000 0.864 380 G N 1.536 110.325 108.800 -0.018 0.000 2.184 380 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 380 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 380 G C 0.337 175.191 174.900 -0.078 0.000 0.975 380 G CA 0.071 45.154 45.100 -0.028 0.000 0.642 380 G HN 0.642 nan 8.290 nan 0.000 0.536 381 V N 0.269 120.108 119.914 -0.125 0.000 3.139 381 V HA 0.540 4.659 4.120 -0.000 0.000 0.307 381 V C 0.100 175.961 176.094 -0.388 0.000 1.095 381 V CA 0.280 62.409 62.300 -0.286 0.000 1.160 381 V CB 1.254 32.876 31.823 -0.336 0.000 1.003 381 V HN 0.262 nan 8.190 nan 0.000 0.489 382 K N 5.421 125.454 120.400 -0.611 0.000 2.588 382 K HA 0.333 4.653 4.320 -0.000 0.000 0.250 382 K C -1.534 174.486 176.600 -0.967 0.000 0.972 382 K CA -0.119 55.824 56.287 -0.574 0.000 0.821 382 K CB 1.661 33.982 32.500 -0.298 0.000 1.249 382 K HN 0.536 nan 8.250 nan 0.000 0.442 383 F N 3.560 123.288 119.950 -0.371 0.000 2.390 383 F HA 0.331 4.858 4.527 -0.000 0.000 0.361 383 F C 0.068 175.738 175.800 -0.217 0.000 1.124 383 F CA -0.550 57.287 58.000 -0.272 0.000 1.149 383 F CB 0.365 39.447 39.000 0.135 0.000 1.160 383 F HN 0.271 nan 8.300 nan 0.000 0.501 384 Y N 2.387 122.803 120.300 0.193 0.000 2.409 384 Y HA 0.587 5.137 4.550 -0.001 0.000 0.339 384 Y C -0.448 175.469 175.900 0.027 0.000 1.033 384 Y CA -2.105 56.093 58.100 0.163 0.000 1.094 384 Y CB 0.783 39.290 38.460 0.079 0.000 1.210 384 Y HN 0.321 nan 8.280 nan 0.000 0.456 385 F N 3.419 123.466 119.950 0.162 0.000 2.408 385 F HA 0.376 4.903 4.527 -0.000 0.000 0.325 385 F C -1.141 174.684 175.800 0.041 0.000 1.082 385 F CA -2.297 55.714 58.000 0.019 0.000 1.032 385 F CB 0.775 39.727 39.000 -0.079 0.000 1.259 385 F HN 0.308 nan 8.300 nan 0.000 0.503 386 P HA -0.210 nan 4.420 nan 0.000 0.216 386 P C 0.942 178.297 177.300 0.091 0.000 1.150 386 P CA 1.837 64.993 63.100 0.093 0.000 0.843 386 P CB 0.258 31.993 31.700 0.057 0.000 0.787 387 E N 0.612 120.873 120.200 0.101 0.000 2.085 387 E HA -0.165 4.184 4.350 -0.000 0.000 0.194 387 E C 1.277 177.911 176.600 0.057 0.000 0.994 387 E CA 1.141 57.578 56.400 0.061 0.000 0.801 387 E CB -1.074 28.648 29.700 0.037 0.000 0.743 387 E HN 0.365 nan 8.360 nan 0.000 0.453 388 D N 0.957 121.418 120.400 0.101 0.000 2.400 388 D HA -0.038 4.602 4.640 -0.000 0.000 0.242 388 D C 0.529 176.825 176.300 -0.006 0.000 1.077 388 D CA 0.583 54.631 54.000 0.080 0.000 0.943 388 D CB -0.287 40.632 40.800 0.198 0.000 0.882 388 D HN 0.212 nan 8.370 nan 0.000 0.529 389 T N -3.679 110.874 114.554 -0.003 0.000 2.883 389 T HA 0.504 4.854 4.350 -0.000 0.000 0.296 389 T C -3.035 171.652 174.700 -0.021 0.000 1.117 389 T CA -2.074 59.996 62.100 -0.051 0.000 1.006 389 T CB 2.588 71.434 68.868 -0.037 0.000 1.191 389 T HN -0.333 nan 8.240 nan 0.000 0.508 390 P HA 0.137 nan 4.420 nan 0.000 0.265 390 P C 0.227 177.532 177.300 0.009 0.000 1.187 390 P CA 0.027 63.122 63.100 -0.009 0.000 0.766 390 P CB 0.311 32.005 31.700 -0.009 0.000 0.820 391 E N 1.587 121.794 120.200 0.011 0.000 2.413 391 E HA -0.125 4.225 4.350 -0.000 0.000 0.204 391 E C 0.503 177.117 176.600 0.023 0.000 1.275 391 E CA 0.414 56.825 56.400 0.018 0.000 1.090 391 E CB -1.332 28.377 29.700 0.015 0.000 1.145 391 E HN 0.422 nan 8.360 nan 0.000 0.472 392 N N -1.291 117.425 118.700 0.028 0.000 1.941 392 N HA -0.064 4.675 4.740 -0.000 0.000 0.229 392 N C -0.287 175.250 175.510 0.045 0.000 1.397 392 N CA 0.329 53.400 53.050 0.035 0.000 0.824 392 N CB -0.467 38.041 38.487 0.034 0.000 1.083 392 N HN 0.089 nan 8.380 nan 0.000 0.488 393 S N 0.355 116.083 115.700 0.047 0.000 2.554 393 S HA 0.068 4.538 4.470 -0.000 0.000 0.290 393 S C 1.567 176.214 174.600 0.077 0.000 1.309 393 S CA -0.199 58.041 58.200 0.067 0.000 1.047 393 S CB 0.892 64.129 63.200 0.062 0.000 0.828 393 S HN 0.018 nan 8.310 nan 0.000 0.509 394 V N 2.716 122.690 119.914 0.100 0.000 2.490 394 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 394 V C 2.270 178.412 176.094 0.080 0.000 1.061 394 V CA 1.836 64.168 62.300 0.053 0.000 1.064 394 V CB -1.065 30.773 31.823 0.026 0.000 0.670 394 V HN 0.859 nan 8.190 nan 0.000 0.461 395 L N 0.499 121.863 121.223 0.234 0.000 2.046 395 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 395 L C 2.537 179.470 176.870 0.105 0.000 1.077 395 L CA 1.862 56.852 54.840 0.249 0.000 0.747 395 L CB -0.726 41.458 42.059 0.207 0.000 0.896 395 L HN 0.193 nan 8.230 nan 0.000 0.432 396 R N -1.229 119.317 120.500 0.076 0.000 2.159 396 R HA -0.118 4.221 4.340 -0.000 0.000 0.237 396 R C 2.017 178.336 176.300 0.033 0.000 1.131 396 R CA 1.400 57.530 56.100 0.050 0.000 0.982 396 R CB -0.451 29.875 30.300 0.043 0.000 0.868 396 R HN 0.351 nan 8.270 nan 0.000 0.453 397 V N 0.747 120.672 119.914 0.017 0.000 2.302 397 V HA -0.152 3.967 4.120 -0.000 0.000 0.243 397 V C 2.116 178.187 176.094 -0.038 0.000 1.036 397 V CA 1.455 63.747 62.300 -0.014 0.000 1.020 397 V CB -0.415 31.391 31.823 -0.030 0.000 0.657 397 V HN 0.279 nan 8.190 nan 0.000 0.453 398 R N 0.503 120.964 120.500 -0.065 0.000 2.241 398 R HA -0.169 4.171 4.340 -0.000 0.000 0.224 398 R C 1.891 178.196 176.300 0.008 0.000 1.101 398 R CA 1.448 57.491 56.100 -0.095 0.000 0.995 398 R CB -0.525 29.645 30.300 -0.216 0.000 0.870 398 R HN 0.538 nan 8.270 nan 0.000 0.463 399 D N 1.419 121.850 120.400 0.052 0.000 2.178 399 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 399 D C 1.422 177.831 176.300 0.181 0.000 0.980 399 D CA 1.371 55.454 54.000 0.138 0.000 0.842 399 D CB 0.222 41.078 40.800 0.093 0.000 0.948 399 D HN 0.170 nan 8.370 nan 0.000 0.472 400 K N -0.970 119.460 120.400 0.050 0.000 2.098 400 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 400 K C 2.173 178.732 176.600 -0.069 0.000 1.051 400 K CA 1.138 57.407 56.287 -0.032 0.000 0.957 400 K CB -0.068 32.395 32.500 -0.062 0.000 0.738 400 K HN 0.032 nan 8.250 nan 0.000 0.447 401 T N 1.834 116.362 114.554 -0.044 0.000 2.746 401 T HA -0.104 4.245 4.350 -0.000 0.000 0.267 401 T C 1.636 176.367 174.700 0.053 0.000 1.039 401 T CA 1.276 63.358 62.100 -0.031 0.000 1.142 401 T CB -0.101 68.727 68.868 -0.066 0.000 0.866 401 T HN 0.163 nan 8.240 nan 0.000 0.444 402 M N 1.478 121.141 119.600 0.105 0.000 2.686 402 M HA -0.006 4.474 4.480 -0.000 0.000 0.246 402 M C 1.454 177.828 176.300 0.124 0.000 1.096 402 M CA 0.882 56.322 55.300 0.234 0.000 1.076 402 M CB -0.139 32.656 32.600 0.324 0.000 1.504 402 M HN 0.397 nan 8.290 nan 0.000 0.524 403 Q N -1.631 118.096 119.800 -0.122 0.000 2.055 403 Q HA 0.382 4.722 4.340 -0.000 0.000 0.226 403 Q C 0.658 176.393 176.000 -0.443 0.000 0.805 403 Q CA 0.244 55.794 55.803 -0.422 0.000 1.072 403 Q CB 0.648 28.773 28.738 -1.023 0.000 1.219 403 Q HN 0.319 nan 8.270 nan 0.000 0.451 404 G N 1.338 110.046 108.800 -0.153 0.000 2.179 404 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 404 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 404 G C 0.105 174.873 174.900 -0.221 0.000 0.977 404 G CA 0.226 45.246 45.100 -0.133 0.000 0.641 404 G HN 0.464 nan 8.290 nan 0.000 0.533 405 I N 3.462 123.861 120.570 -0.285 0.000 2.379 405 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 405 I C -1.399 174.508 176.117 -0.351 0.000 1.063 405 I CA -2.054 59.016 61.300 -0.383 0.000 1.351 405 I CB 1.040 38.861 38.000 -0.299 0.000 1.410 405 I HN -0.043 nan 8.210 nan 0.000 0.505 406 P HA 0.259 nan 4.420 nan 0.000 0.274 406 P C -0.407 176.729 177.300 -0.274 0.000 1.246 406 P CA -0.046 62.809 63.100 -0.408 0.000 0.795 406 P CB 1.192 32.501 31.700 -0.652 0.000 1.006 407 T N -2.816 111.581 114.554 -0.261 0.000 2.661 407 T HA 0.476 4.826 4.350 -0.000 0.000 0.305 407 T C -0.755 173.652 174.700 -0.488 0.000 1.441 407 T CA -0.297 61.686 62.100 -0.194 0.000 0.999 407 T CB 0.738 69.549 68.868 -0.095 0.000 1.650 407 T HN 0.296 nan 8.240 nan 0.000 0.489 408 Y N -1.022 119.285 120.300 0.012 0.000 2.729 408 Y HA 0.263 4.813 4.550 -0.000 0.000 0.266 408 Y C 1.182 177.025 175.900 -0.094 0.000 1.064 408 Y CA -0.600 57.459 58.100 -0.068 0.000 1.251 408 Y CB 0.212 38.636 38.460 -0.060 0.000 1.379 408 Y HN 0.546 nan 8.280 nan 0.000 0.569 409 D N 1.264 121.698 120.400 0.056 0.000 2.158 409 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 409 D C 1.484 177.784 176.300 0.001 0.000 0.995 409 D CA 1.695 55.712 54.000 0.029 0.000 0.846 409 D CB 0.005 40.821 40.800 0.026 0.000 0.941 409 D HN 0.488 nan 8.370 nan 0.000 0.456 410 E N 0.110 120.303 120.200 -0.012 0.000 2.265 410 E HA -0.106 4.243 4.350 -0.000 0.000 0.196 410 E C 2.112 178.604 176.600 -0.179 0.000 0.996 410 E CA 0.144 56.560 56.400 0.026 0.000 0.832 410 E CB -0.130 29.660 29.700 0.150 0.000 0.756 410 E HN 0.355 nan 8.360 nan 0.000 0.491 411 L N 0.998 122.047 121.223 -0.291 0.000 2.261 411 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 411 L C 2.162 178.776 176.870 -0.426 0.000 1.114 411 L CA 1.169 55.712 54.840 -0.495 0.000 0.777 411 L CB -0.376 41.449 42.059 -0.391 0.000 0.910 411 L HN 0.098 nan 8.230 nan 0.000 0.440 412 K N 0.076 120.362 120.400 -0.191 0.000 2.173 412 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 412 K C 1.947 178.551 176.600 0.007 0.000 1.046 412 K CA 2.033 58.283 56.287 -0.062 0.000 0.929 412 K CB -0.371 32.148 32.500 0.032 0.000 0.720 412 K HN 0.624 nan 8.250 nan 0.000 0.453 413 W N 1.052 122.343 121.300 -0.016 0.000 2.392 413 W HA -0.098 4.562 4.660 -0.001 0.000 0.279 413 W C 1.167 177.677 176.519 -0.015 0.000 1.225 413 W CA 0.513 57.858 57.345 -0.000 0.000 1.233 413 W CB -0.641 28.792 29.460 -0.044 0.000 1.122 413 W HN -0.046 nan 8.180 nan 0.000 0.561 414 I N 1.791 122.060 120.570 -0.502 0.000 2.454 414 I HA -0.258 3.911 4.170 -0.000 0.000 0.254 414 I C 1.342 177.381 176.117 -0.131 0.000 1.156 414 I CA 1.485 62.499 61.300 -0.478 0.000 1.433 414 I CB -0.684 36.885 38.000 -0.718 0.000 1.082 414 I HN -0.173 nan 8.210 nan 0.000 0.432 415 D N 0.231 120.602 120.400 -0.048 0.000 2.371 415 D HA -0.153 4.487 4.640 -0.000 0.000 0.234 415 D C 1.546 177.932 176.300 0.144 0.000 1.049 415 D CA 0.203 54.216 54.000 0.020 0.000 0.907 415 D CB -0.235 40.558 40.800 -0.011 0.000 0.891 415 D HN 0.510 nan 8.370 nan 0.000 0.531 416 W N 0.728 122.048 121.300 0.033 0.000 2.302 416 W HA -0.214 4.446 4.660 -0.000 0.000 0.320 416 W C -0.051 176.488 176.519 0.034 0.000 1.241 416 W CA 0.691 58.076 57.345 0.067 0.000 1.264 416 W CB 0.013 29.528 29.460 0.091 0.000 1.154 416 W HN -0.052 nan 8.180 nan 0.000 0.483 417 L N -0.300 120.988 121.223 0.109 0.000 2.472 417 L HA 0.247 4.587 4.340 -0.000 0.000 0.256 417 L C -1.016 175.825 176.870 -0.049 0.000 1.111 417 L CA -1.880 52.946 54.840 -0.024 0.000 0.800 417 L CB -0.627 41.455 42.059 0.038 0.000 1.286 417 L HN -0.329 nan 8.230 nan 0.000 0.479 418 P HA -0.076 nan 4.420 nan 0.000 0.202 418 P C -0.437 176.818 177.300 -0.074 0.000 1.171 418 P CA 1.133 64.198 63.100 -0.059 0.000 0.925 418 P CB 0.108 31.781 31.700 -0.044 0.000 0.760 419 N N 0.698 119.351 118.700 -0.080 0.000 2.508 419 N HA 0.166 4.905 4.740 -0.000 0.000 0.253 419 N C 0.498 175.876 175.510 -0.220 0.000 1.145 419 N CA 0.251 53.229 53.050 -0.120 0.000 0.973 419 N CB -0.232 38.207 38.487 -0.081 0.000 1.305 419 N HN 0.085 nan 8.380 nan 0.000 0.506 420 G N 0.788 109.447 108.800 -0.234 0.000 2.432 420 G HA2 0.439 4.399 3.960 -0.000 0.000 0.239 420 G HA3 0.439 4.399 3.960 -0.000 0.000 0.239 420 G C -0.452 174.090 174.900 -0.597 0.000 1.291 420 G CA -0.281 44.619 45.100 -0.333 0.000 0.863 420 G HN 0.586 nan 8.290 nan 0.000 0.560 421 A N 2.562 124.913 122.820 -0.782 0.000 2.500 421 A HA 0.559 4.879 4.320 -0.000 0.000 0.291 421 A C -0.521 176.642 177.584 -0.701 0.000 1.048 421 A CA -0.822 50.516 52.037 -1.165 0.000 0.791 421 A CB 0.855 18.930 19.000 -1.543 0.000 1.309 421 A HN 1.290 nan 8.150 nan 0.000 0.397 422 H N 1.494 120.346 119.070 -0.363 0.000 2.481 422 H HA 0.833 5.389 4.556 -0.001 0.000 0.339 422 H C -1.474 173.855 175.328 0.002 0.000 1.131 422 H CA -1.703 54.286 56.048 -0.099 0.000 1.301 422 H CB 1.600 31.222 29.762 -0.233 0.000 1.476 422 H HN 0.898 nan 8.280 nan 0.000 0.529 423 L N 3.388 124.512 121.223 -0.165 0.000 2.596 423 L HA 0.337 4.677 4.340 -0.000 0.000 0.265 423 L C -2.083 174.594 176.870 -0.321 0.000 0.962 423 L CA -0.439 54.296 54.840 -0.174 0.000 0.891 423 L CB 0.949 43.056 42.059 0.079 0.000 1.248 423 L HN 0.477 nan 8.230 nan 0.000 0.410 424 F N 5.496 125.344 119.950 -0.170 0.000 2.411 424 F HA 0.438 4.965 4.527 -0.000 0.000 0.355 424 F C -0.119 175.678 175.800 -0.003 0.000 1.117 424 F CA -0.232 57.693 58.000 -0.126 0.000 1.139 424 F CB 0.998 39.817 39.000 -0.302 0.000 1.120 424 F HN 0.382 nan 8.300 nan 0.000 0.493 425 F N 2.661 122.651 119.950 0.066 0.000 2.408 425 F HA 0.593 5.120 4.527 -0.000 0.000 0.344 425 F C -0.193 175.646 175.800 0.066 0.000 1.112 425 F CA -0.709 57.285 58.000 -0.011 0.000 1.096 425 F CB 1.101 40.031 39.000 -0.117 0.000 1.129 425 F HN 0.299 nan 8.300 nan 0.000 0.486 426 S N 7.247 122.646 115.700 -0.502 0.000 2.312 426 S HA 0.337 4.807 4.470 -0.000 0.000 0.173 426 S C -2.885 171.507 174.600 -0.348 0.000 1.488 426 S CA -0.905 57.141 58.200 -0.257 0.000 1.239 426 S CB 0.904 64.206 63.200 0.169 0.000 1.215 426 S HN 0.358 nan 8.310 nan 0.000 0.438 427 P HA 0.427 nan 4.420 nan 0.000 0.281 427 P C -0.450 176.759 177.300 -0.151 0.000 1.249 427 P CA -0.689 62.218 63.100 -0.321 0.000 0.810 427 P CB 0.634 32.133 31.700 -0.335 0.000 1.008 428 I N 0.930 121.462 120.570 -0.063 0.000 2.677 428 I HA 0.647 4.817 4.170 -0.000 0.000 0.305 428 I C 0.552 176.696 176.117 0.044 0.000 0.988 428 I CA -0.687 60.586 61.300 -0.045 0.000 1.260 428 I CB 0.743 38.714 38.000 -0.048 0.000 1.410 428 I HN 0.413 nan 8.210 nan 0.000 0.523 429 A N 4.953 127.829 122.820 0.093 0.000 2.549 429 A HA 0.525 4.845 4.320 -0.000 0.000 0.297 429 A C -0.501 177.183 177.584 0.166 0.000 1.061 429 A CA -0.833 51.287 52.037 0.139 0.000 0.690 429 A CB 1.382 20.424 19.000 0.071 0.000 1.287 429 A HN 0.654 nan 8.150 nan 0.000 0.402 430 K N 0.252 120.773 120.400 0.201 0.000 2.336 430 K HA 0.274 4.594 4.320 -0.000 0.000 0.262 430 K C -0.022 176.615 176.600 0.062 0.000 0.992 430 K CA -0.205 56.159 56.287 0.128 0.000 0.927 430 K CB 0.676 33.253 32.500 0.129 0.000 0.956 430 K HN 0.356 nan 8.250 nan 0.000 0.495 431 V N 2.075 122.010 119.914 0.035 0.000 2.248 431 V HA -0.008 4.112 4.120 -0.000 0.000 0.309 431 V C 0.160 176.234 176.094 -0.034 0.000 1.722 431 V CA 0.227 62.522 62.300 -0.008 0.000 1.693 431 V CB -0.725 31.102 31.823 0.006 0.000 1.470 431 V HN 0.611 nan 8.190 nan 0.000 0.518 432 S N 0.699 116.378 115.700 -0.036 0.000 2.538 432 S HA 0.613 5.083 4.470 -0.000 0.000 0.288 432 S C 1.285 175.841 174.600 -0.074 0.000 1.108 432 S CA 0.080 58.255 58.200 -0.041 0.000 0.971 432 S CB 1.920 65.125 63.200 0.009 0.000 1.041 432 S HN 0.510 nan 8.310 nan 0.000 0.483 433 G N 2.639 111.380 108.800 -0.098 0.000 2.422 433 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 433 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 433 G C 1.108 175.973 174.900 -0.059 0.000 1.146 433 G CA 1.163 46.189 45.100 -0.122 0.000 0.769 433 G HN 0.710 nan 8.290 nan 0.000 0.547 434 E N 0.618 120.810 120.200 -0.013 0.000 2.072 434 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 434 E C 2.045 178.705 176.600 0.100 0.000 0.982 434 E CA 1.239 57.660 56.400 0.035 0.000 0.803 434 E CB -0.312 29.409 29.700 0.034 0.000 0.755 434 E HN 0.295 nan 8.360 nan 0.000 0.453 435 D N -0.529 119.945 120.400 0.124 0.000 2.097 435 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 435 D C 1.780 178.226 176.300 0.244 0.000 0.984 435 D CA 1.615 55.776 54.000 0.270 0.000 0.826 435 D CB -0.336 40.630 40.800 0.276 0.000 0.973 435 D HN 0.222 nan 8.370 nan 0.000 0.460 436 A N -0.070 122.792 122.820 0.070 0.000 1.933 436 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 436 A C 2.174 179.790 177.584 0.053 0.000 1.175 436 A CA 1.819 53.836 52.037 -0.034 0.000 0.628 436 A CB -0.626 18.166 19.000 -0.347 0.000 0.814 436 A HN 0.312 nan 8.150 nan 0.000 0.444 437 M N -0.715 118.917 119.600 0.054 0.000 2.132 437 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 437 M C 2.140 178.568 176.300 0.214 0.000 1.065 437 M CA 1.706 57.088 55.300 0.137 0.000 1.122 437 M CB -0.505 32.145 32.600 0.083 0.000 1.365 437 M HN 0.434 nan 8.290 nan 0.000 0.411 438 M N -1.125 118.612 119.600 0.229 0.000 2.117 438 M HA -0.253 4.227 4.480 -0.000 0.000 0.262 438 M C 2.298 178.773 176.300 0.293 0.000 1.065 438 M CA 1.889 57.367 55.300 0.296 0.000 1.114 438 M CB -0.670 32.181 32.600 0.417 0.000 1.361 438 M HN 0.409 nan 8.290 nan 0.000 0.408 439 Q N -0.103 119.769 119.800 0.120 0.000 2.084 439 Q HA -0.241 4.098 4.340 -0.000 0.000 0.202 439 Q C 2.075 178.135 176.000 0.101 0.000 0.978 439 Q CA 1.767 57.394 55.803 -0.294 0.000 0.844 439 Q CB -0.283 27.939 28.738 -0.861 0.000 0.898 439 Q HN 0.568 nan 8.270 nan 0.000 0.426 440 Y N 0.436 120.835 120.300 0.166 0.000 2.165 440 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 440 Y C 1.969 177.881 175.900 0.021 0.000 1.155 440 Y CA 1.635 59.853 58.100 0.196 0.000 1.164 440 Y CB -0.759 37.863 38.460 0.270 0.000 0.978 440 Y HN 0.207 nan 8.280 nan 0.000 0.513 441 A N -0.205 122.523 122.820 -0.154 0.000 1.877 441 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 441 A C 2.478 179.987 177.584 -0.125 0.000 1.186 441 A CA 1.926 53.811 52.037 -0.255 0.000 0.620 441 A CB -1.564 17.395 19.000 -0.069 0.000 0.822 441 A HN 0.456 nan 8.150 nan 0.000 0.443 442 V N 0.734 120.655 119.914 0.011 0.000 2.295 442 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 442 V C 2.872 178.973 176.094 0.013 0.000 1.049 442 V CA 3.311 65.642 62.300 0.052 0.000 1.024 442 V CB -1.005 30.920 31.823 0.170 0.000 0.648 442 V HN 0.828 nan 8.190 nan 0.000 0.447 443 T N -2.018 112.553 114.554 0.030 0.000 2.788 443 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 443 T C 1.943 176.713 174.700 0.116 0.000 1.044 443 T CA 1.952 64.097 62.100 0.076 0.000 1.139 443 T CB -0.482 68.522 68.868 0.226 0.000 0.867 443 T HN 0.583 nan 8.240 nan 0.000 0.454 444 K N 0.986 121.347 120.400 -0.066 0.000 2.025 444 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 444 K C 2.599 179.186 176.600 -0.022 0.000 1.049 444 K CA 1.004 57.229 56.287 -0.104 0.000 0.933 444 K CB -0.150 32.009 32.500 -0.568 0.000 0.714 444 K HN 0.084 nan 8.250 nan 0.000 0.438 445 K N 1.127 121.494 120.400 -0.054 0.000 2.032 445 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 445 K C 2.041 178.668 176.600 0.046 0.000 1.048 445 K CA 1.425 57.709 56.287 -0.004 0.000 0.927 445 K CB -0.130 32.368 32.500 -0.004 0.000 0.712 445 K HN 0.122 nan 8.250 nan 0.000 0.441 446 R N 0.285 120.811 120.500 0.043 0.000 2.096 446 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 446 R C 2.603 178.968 176.300 0.109 0.000 1.127 446 R CA 1.198 57.345 56.100 0.079 0.000 0.968 446 R CB -1.355 28.929 30.300 -0.027 0.000 0.861 446 R HN 0.310 nan 8.270 nan 0.000 0.440 447 C N 1.118 120.467 119.300 0.081 0.000 2.429 447 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 447 C C 2.714 177.761 174.990 0.096 0.000 1.262 447 C CA 0.546 59.620 59.018 0.093 0.000 1.733 447 C CB -0.618 27.204 27.740 0.137 0.000 2.010 447 C HN 0.471 nan 8.230 nan 0.000 0.483 448 Q N 0.927 120.778 119.800 0.085 0.000 2.084 448 Q HA -0.177 4.162 4.340 -0.000 0.000 0.202 448 Q C 1.894 177.931 176.000 0.062 0.000 0.978 448 Q CA 1.442 57.286 55.803 0.068 0.000 0.844 448 Q CB -0.610 28.157 28.738 0.049 0.000 0.898 448 Q HN 0.725 nan 8.270 nan 0.000 0.426 449 E N 0.692 120.941 120.200 0.081 0.000 2.118 449 E HA -0.142 4.207 4.350 -0.000 0.000 0.195 449 E C 1.610 178.224 176.600 0.024 0.000 0.992 449 E CA 1.084 57.524 56.400 0.066 0.000 0.804 449 E CB -0.067 29.722 29.700 0.147 0.000 0.741 449 E HN 0.336 nan 8.360 nan 0.000 0.458 450 A N -0.083 122.787 122.820 0.084 0.000 2.238 450 A HA 0.253 4.572 4.320 -0.000 0.000 0.208 450 A C 1.740 179.346 177.584 0.037 0.000 1.177 450 A CA 0.824 52.894 52.037 0.055 0.000 0.804 450 A CB -0.161 18.921 19.000 0.137 0.000 0.823 450 A HN 0.343 nan 8.150 nan 0.000 0.482 451 G N -1.394 107.432 108.800 0.044 0.000 2.159 451 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 451 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 451 G C 0.087 175.035 174.900 0.079 0.000 0.977 451 G CA 0.408 45.538 45.100 0.050 0.000 0.652 451 G HN 0.446 nan 8.290 nan 0.000 0.531 452 L N 0.851 122.128 121.223 0.089 0.000 2.379 452 L HA 0.466 4.806 4.340 -0.000 0.000 0.269 452 L C -0.053 176.885 176.870 0.113 0.000 1.084 452 L CA -1.120 53.786 54.840 0.110 0.000 0.802 452 L CB 0.771 42.884 42.059 0.091 0.000 1.175 452 L HN -0.015 nan 8.230 nan 0.000 0.448 453 D N 1.361 121.843 120.400 0.137 0.000 2.350 453 D HA 0.131 4.771 4.640 -0.000 0.000 0.249 453 D C -0.367 175.933 176.300 0.001 0.000 1.119 453 D CA -0.023 54.041 54.000 0.106 0.000 0.886 453 D CB 1.328 42.217 40.800 0.149 0.000 1.195 453 D HN 0.152 nan 8.370 nan 0.000 0.437 454 F N 2.529 122.405 119.950 -0.122 0.000 2.459 454 F HA 0.368 4.894 4.527 -0.001 0.000 0.346 454 F C -0.154 175.398 175.800 -0.413 0.000 1.128 454 F CA 0.054 57.944 58.000 -0.183 0.000 1.268 454 F CB 0.390 39.327 39.000 -0.105 0.000 1.161 454 F HN 0.205 nan 8.300 nan 0.000 0.583 455 I N 4.025 123.885 120.570 -1.183 0.000 2.753 455 I HA 0.588 4.758 4.170 -0.000 0.000 0.291 455 I C -0.329 175.215 176.117 -0.955 0.000 1.425 455 I CA -0.659 60.093 61.300 -0.913 0.000 1.039 455 I CB 1.884 39.468 38.000 -0.693 0.000 1.349 455 I HN 0.844 nan 8.210 nan 0.000 0.430 456 G N 2.773 111.279 108.800 -0.491 0.000 2.441 456 G HA2 0.741 4.701 3.960 -0.000 0.000 0.294 456 G HA3 0.741 4.701 3.960 -0.000 0.000 0.294 456 G C -1.694 173.195 174.900 -0.018 0.000 1.393 456 G CA -0.429 44.541 45.100 -0.217 0.000 0.796 456 G HN 0.475 nan 8.290 nan 0.000 0.494 457 T N 0.068 114.590 114.554 -0.054 0.000 3.097 457 T HA 0.509 4.859 4.350 -0.000 0.000 0.332 457 T C -1.285 173.342 174.700 -0.122 0.000 1.269 457 T CA -0.427 61.675 62.100 0.003 0.000 1.076 457 T CB 1.239 70.098 68.868 -0.014 0.000 1.209 457 T HN 0.410 nan 8.240 nan 0.000 0.474 458 F N 2.170 122.118 119.950 -0.003 0.000 2.377 458 F HA 0.615 5.142 4.527 -0.000 0.000 0.328 458 F C 1.298 177.116 175.800 0.029 0.000 1.094 458 F CA -0.473 57.502 58.000 -0.041 0.000 1.093 458 F CB 1.358 40.286 39.000 -0.120 0.000 1.214 458 F HN 0.540 nan 8.300 nan 0.000 0.518 459 T N -0.824 113.854 114.554 0.206 0.000 2.906 459 T HA 0.538 4.888 4.350 -0.000 0.000 0.302 459 T C -1.018 173.741 174.700 0.097 0.000 1.002 459 T CA -0.869 61.307 62.100 0.127 0.000 0.988 459 T CB 0.545 69.433 68.868 0.032 0.000 0.972 459 T HN 0.298 nan 8.240 nan 0.000 0.447 460 V N 3.984 123.968 119.914 0.115 0.000 2.397 460 V HA 0.551 4.671 4.120 -0.000 0.000 0.262 460 V C 1.336 177.465 176.094 0.058 0.000 1.047 460 V CA -0.105 62.261 62.300 0.110 0.000 1.003 460 V CB 0.105 32.029 31.823 0.168 0.000 1.037 460 V HN 1.118 nan 8.190 nan 0.000 0.480 461 G N 3.769 112.595 108.800 0.043 0.000 2.557 461 G HA2 0.411 4.371 3.960 -0.000 0.000 0.292 461 G HA3 0.411 4.371 3.960 -0.000 0.000 0.292 461 G C 0.859 175.789 174.900 0.049 0.000 1.237 461 G CA -0.723 44.388 45.100 0.018 0.000 0.978 461 G HN 0.396 nan 8.290 nan 0.000 0.498 462 M N -0.220 119.405 119.600 0.041 0.000 2.180 462 M HA -0.067 4.413 4.480 -0.000 0.000 0.260 462 M C 2.309 178.637 176.300 0.046 0.000 1.071 462 M CA 1.698 57.024 55.300 0.045 0.000 1.096 462 M CB -0.870 31.751 32.600 0.036 0.000 1.276 462 M HN 0.491 nan 8.290 nan 0.000 0.426 463 R N 0.481 121.009 120.500 0.047 0.000 2.388 463 R HA 0.084 4.424 4.340 -0.000 0.000 0.247 463 R C -0.338 175.999 176.300 0.060 0.000 0.931 463 R CA 0.028 56.155 56.100 0.046 0.000 1.082 463 R CB 0.229 30.552 30.300 0.039 0.000 1.135 463 R HN 0.478 nan 8.270 nan 0.000 0.525 464 E N -0.273 119.973 120.200 0.076 0.000 2.447 464 E HA 0.425 4.775 4.350 -0.000 0.000 0.279 464 E C -1.064 175.616 176.600 0.133 0.000 1.053 464 E CA -0.854 55.608 56.400 0.102 0.000 0.840 464 E CB 0.964 30.730 29.700 0.110 0.000 1.409 464 E HN -0.132 nan 8.360 nan 0.000 0.461 465 M N 0.863 120.565 119.600 0.169 0.000 2.324 465 M HA 0.380 4.860 4.480 -0.000 0.000 0.288 465 M C -1.500 174.964 176.300 0.273 0.000 1.097 465 M CA -0.816 54.620 55.300 0.228 0.000 0.928 465 M CB 2.233 34.972 32.600 0.232 0.000 1.648 465 M HN 0.567 nan 8.290 nan 0.000 0.460 466 H N 1.817 120.901 119.070 0.023 0.000 2.723 466 H HA 0.220 4.775 4.556 -0.000 0.000 0.294 466 H C -0.486 174.857 175.328 0.024 0.000 1.079 466 H CA 0.185 56.205 56.048 -0.047 0.000 1.411 466 H CB 0.174 29.813 29.762 -0.205 0.000 1.439 466 H HN 0.322 nan 8.280 nan 0.000 0.474 467 H N 4.918 123.963 119.070 -0.042 0.000 2.652 467 H HA 0.224 4.779 4.556 -0.000 0.000 0.298 467 H C -0.449 174.766 175.328 -0.189 0.000 1.076 467 H CA -0.731 55.148 56.048 -0.282 0.000 1.360 467 H CB -0.061 29.518 29.762 -0.304 0.000 1.421 467 H HN 0.616 nan 8.280 nan 0.000 0.464 468 I N 7.027 127.709 120.570 0.188 0.000 2.310 468 I HA 0.067 4.237 4.170 -0.000 0.000 0.287 468 I C -0.026 176.166 176.117 0.125 0.000 1.073 468 I CA -0.729 60.660 61.300 0.149 0.000 1.216 468 I CB 0.945 39.012 38.000 0.112 0.000 1.415 468 I HN 0.210 nan 8.210 nan 0.000 0.480 469 V N 5.467 125.410 119.914 0.048 0.000 2.439 469 V HA 0.004 4.124 4.120 -0.000 0.000 0.271 469 V C 0.307 176.378 176.094 -0.039 0.000 1.040 469 V CA -0.272 61.969 62.300 -0.098 0.000 1.002 469 V CB 0.670 32.453 31.823 -0.066 0.000 1.000 469 V HN 0.764 nan 8.190 nan 0.000 0.477 470 C N 7.427 126.602 119.300 -0.208 0.000 2.192 470 C HA 0.418 4.877 4.460 -0.000 0.000 0.337 470 C C 0.429 175.332 174.990 -0.144 0.000 1.103 470 C CA -0.839 58.085 59.018 -0.157 0.000 1.581 470 C CB -1.419 26.084 27.740 -0.395 0.000 2.070 470 C HN 0.620 nan 8.230 nan 0.000 0.485 471 I N 4.936 125.473 120.570 -0.056 0.000 2.294 471 I HA 0.149 4.319 4.170 -0.000 0.000 0.295 471 I C 0.628 176.860 176.117 0.192 0.000 1.098 471 I CA 0.446 61.764 61.300 0.028 0.000 1.277 471 I CB 0.012 38.025 38.000 0.022 0.000 1.434 471 I HN 0.542 nan 8.210 nan 0.000 0.498 472 V N 5.207 125.227 119.914 0.176 0.000 2.644 472 V HA 0.824 4.944 4.120 -0.000 0.000 0.295 472 V C -0.446 175.812 176.094 0.273 0.000 1.053 472 V CA -0.520 61.892 62.300 0.186 0.000 0.987 472 V CB 1.219 33.166 31.823 0.208 0.000 1.006 472 V HN 0.564 nan 8.190 nan 0.000 0.472 473 F N 0.756 120.725 119.950 0.032 0.000 2.688 473 F HA 0.505 5.031 4.527 -0.001 0.000 0.308 473 F C -0.912 174.884 175.800 -0.006 0.000 1.117 473 F CA -1.227 56.789 58.000 0.026 0.000 0.976 473 F CB 1.424 40.432 39.000 0.013 0.000 1.291 473 F HN 0.607 nan 8.300 nan 0.000 0.439 474 N N 2.936 121.691 118.700 0.091 0.000 2.431 474 N HA 0.046 4.786 4.740 -0.000 0.000 0.265 474 N C 0.458 176.007 175.510 0.065 0.000 1.184 474 N CA -0.082 52.961 53.050 -0.012 0.000 0.943 474 N CB 1.227 39.738 38.487 0.040 0.000 1.080 474 N HN 0.948 nan 8.380 nan 0.000 0.477 475 K N 2.466 122.791 120.400 -0.125 0.000 2.643 475 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 475 K C 0.331 177.035 176.600 0.173 0.000 1.027 475 K CA 0.854 57.147 56.287 0.010 0.000 1.033 475 K CB 0.177 32.508 32.500 -0.282 0.000 0.827 475 K HN 0.444 nan 8.250 nan 0.000 0.500 476 K N 0.221 120.702 120.400 0.136 0.000 2.491 476 K HA 0.040 4.359 4.320 -0.000 0.000 0.211 476 K C -0.421 176.247 176.600 0.114 0.000 1.210 476 K CA -0.229 56.137 56.287 0.131 0.000 1.003 476 K CB 0.623 33.172 32.500 0.082 0.000 1.009 476 K HN 0.080 nan 8.250 nan 0.000 0.577 477 D N 1.986 122.458 120.400 0.120 0.000 2.365 477 D HA 0.000 4.640 4.640 -0.000 0.000 0.237 477 D C 0.808 177.172 176.300 0.107 0.000 1.190 477 D CA -0.207 53.850 54.000 0.096 0.000 0.867 477 D CB 1.252 42.107 40.800 0.092 0.000 1.050 477 D HN -0.081 nan 8.370 nan 0.000 0.491 478 L N 5.940 127.213 121.223 0.084 0.000 2.131 478 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 478 L C 1.811 178.713 176.870 0.054 0.000 1.092 478 L CA 1.380 56.266 54.840 0.076 0.000 0.759 478 L CB -0.249 41.844 42.059 0.057 0.000 0.903 478 L HN 0.483 nan 8.230 nan 0.000 0.435 479 I N -0.524 120.070 120.570 0.041 0.000 2.179 479 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 479 I C 2.515 178.646 176.117 0.022 0.000 1.088 479 I CA 1.400 62.712 61.300 0.021 0.000 1.357 479 I CB -1.297 36.710 38.000 0.011 0.000 1.051 479 I HN 0.518 nan 8.210 nan 0.000 0.409 480 Q N 1.119 120.946 119.800 0.045 0.000 2.084 480 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 480 Q C 2.227 178.236 176.000 0.015 0.000 0.978 480 Q CA 1.676 57.511 55.803 0.052 0.000 0.844 480 Q CB 0.124 28.927 28.738 0.108 0.000 0.898 480 Q HN 0.442 nan 8.270 nan 0.000 0.426 481 K N -0.043 120.371 120.400 0.024 0.000 2.009 481 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 481 K C 2.190 178.762 176.600 -0.048 0.000 1.049 481 K CA 1.640 57.888 56.287 -0.065 0.000 0.929 481 K CB -0.168 32.350 32.500 0.029 0.000 0.714 481 K HN 0.203 nan 8.250 nan 0.000 0.440 482 R N 1.163 121.669 120.500 0.008 0.000 2.091 482 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 482 R C 2.255 178.594 176.300 0.066 0.000 1.136 482 R CA 1.400 57.522 56.100 0.036 0.000 0.959 482 R CB -0.230 30.088 30.300 0.031 0.000 0.856 482 R HN 0.204 nan 8.270 nan 0.000 0.437 483 K N 0.366 120.784 120.400 0.029 0.000 2.103 483 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 483 K C 2.107 178.784 176.600 0.128 0.000 1.048 483 K CA 1.405 57.724 56.287 0.053 0.000 0.930 483 K CB -0.141 32.355 32.500 -0.007 0.000 0.716 483 K HN 0.015 nan 8.250 nan 0.000 0.444 484 V N 1.941 121.858 119.914 0.006 0.000 2.358 484 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 484 V C 2.267 178.348 176.094 -0.021 0.000 1.047 484 V CA 1.672 63.925 62.300 -0.078 0.000 1.035 484 V CB -0.523 31.087 31.823 -0.354 0.000 0.658 484 V HN 0.357 nan 8.190 nan 0.000 0.452 485 Q N -1.440 118.386 119.800 0.043 0.000 2.084 485 Q HA -0.290 4.049 4.340 -0.000 0.000 0.202 485 Q C 2.091 178.198 176.000 0.177 0.000 0.978 485 Q CA 2.282 58.182 55.803 0.163 0.000 0.844 485 Q CB -0.339 28.488 28.738 0.148 0.000 0.898 485 Q HN 0.806 nan 8.270 nan 0.000 0.426 486 W N 1.450 122.750 121.300 0.001 0.000 2.363 486 W HA -0.220 4.440 4.660 -0.000 0.000 0.296 486 W C 1.855 178.345 176.519 -0.048 0.000 1.212 486 W CA 1.082 58.423 57.345 -0.006 0.000 1.260 486 W CB -0.191 29.261 29.460 -0.014 0.000 1.131 486 W HN 0.158 nan 8.180 nan 0.000 0.530 487 L N 0.719 122.034 121.223 0.152 0.000 1.994 487 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 487 L C 2.350 179.011 176.870 -0.348 0.000 1.071 487 L CA 2.228 57.020 54.840 -0.079 0.000 0.745 487 L CB -1.228 40.831 42.059 0.000 0.000 0.892 487 L HN -0.012 nan 8.230 nan 0.000 0.431 488 M N -0.481 118.928 119.600 -0.318 0.000 2.082 488 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 488 M C 2.483 178.556 176.300 -0.380 0.000 1.071 488 M CA 1.873 56.889 55.300 -0.473 0.000 1.103 488 M CB -1.169 30.972 32.600 -0.765 0.000 1.307 488 M HN 0.289 nan 8.290 nan 0.000 0.409 489 R N -0.907 119.467 120.500 -0.208 0.000 2.117 489 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 489 R C 2.191 178.334 176.300 -0.261 0.000 1.143 489 R CA 1.962 57.990 56.100 -0.120 0.000 0.968 489 R CB -0.657 29.647 30.300 0.006 0.000 0.863 489 R HN 0.432 nan 8.270 nan 0.000 0.444 490 T N 1.286 115.536 114.554 -0.507 0.000 2.770 490 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 490 T C 1.874 176.353 174.700 -0.368 0.000 1.039 490 T CA 0.855 62.627 62.100 -0.546 0.000 1.142 490 T CB -0.102 68.169 68.868 -0.995 0.000 0.868 490 T HN 0.112 nan 8.240 nan 0.000 0.435 491 L N 0.537 121.487 121.223 -0.456 0.000 2.042 491 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 491 L C 2.459 179.226 176.870 -0.171 0.000 1.076 491 L CA 1.254 55.804 54.840 -0.483 0.000 0.749 491 L CB -0.672 40.696 42.059 -1.153 0.000 0.893 491 L HN 0.285 nan 8.230 nan 0.000 0.432 492 I N -0.135 120.389 120.570 -0.077 0.000 2.163 492 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 492 I C 2.123 178.300 176.117 0.101 0.000 1.085 492 I CA 1.434 62.836 61.300 0.169 0.000 1.347 492 I CB -0.493 37.591 38.000 0.140 0.000 1.044 492 I HN 0.299 nan 8.210 nan 0.000 0.408 493 D N 0.739 121.145 120.400 0.011 0.000 2.117 493 D HA -0.155 4.484 4.640 -0.000 0.000 0.198 493 D C 1.811 178.125 176.300 0.024 0.000 0.982 493 D CA 1.156 55.161 54.000 0.008 0.000 0.828 493 D CB -0.382 40.401 40.800 -0.027 0.000 0.967 493 D HN 0.310 nan 8.370 nan 0.000 0.464 494 D N 0.042 120.452 120.400 0.017 0.000 2.084 494 D HA -0.099 4.540 4.640 -0.000 0.000 0.194 494 D C 2.256 178.647 176.300 0.152 0.000 0.990 494 D CA 0.672 54.707 54.000 0.059 0.000 0.826 494 D CB -0.557 40.270 40.800 0.044 0.000 0.971 494 D HN 0.211 nan 8.370 nan 0.000 0.453 495 C N 1.317 120.777 119.300 0.267 0.000 2.425 495 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 495 C C 2.904 178.042 174.990 0.248 0.000 1.280 495 C CA 0.535 59.844 59.018 0.486 0.000 1.744 495 C CB -1.046 27.054 27.740 0.600 0.000 1.989 495 C HN 0.349 nan 8.230 nan 0.000 0.491 496 A N 0.857 123.759 122.820 0.136 0.000 1.883 496 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 496 A C 2.273 179.838 177.584 -0.033 0.000 1.186 496 A CA 1.950 54.002 52.037 0.024 0.000 0.624 496 A CB -0.942 18.062 19.000 0.006 0.000 0.822 496 A HN 0.622 nan 8.150 nan 0.000 0.444 497 A N -0.732 122.078 122.820 -0.017 0.000 2.264 497 A HA -0.016 4.303 4.320 -0.000 0.000 0.207 497 A C 0.956 178.470 177.584 -0.116 0.000 1.196 497 A CA 1.054 53.062 52.037 -0.048 0.000 0.778 497 A CB -0.748 18.239 19.000 -0.020 0.000 0.779 497 A HN 0.720 nan 8.150 nan 0.000 0.483 498 N N -1.724 116.853 118.700 -0.205 0.000 2.387 498 N HA 0.310 5.050 4.740 -0.000 0.000 0.259 498 N C 0.735 175.819 175.510 -0.709 0.000 1.369 498 N CA 0.187 52.954 53.050 -0.471 0.000 0.867 498 N CB 0.876 38.929 38.487 -0.724 0.000 1.341 498 N HN 0.418 nan 8.380 nan 0.000 0.495 499 G N 0.672 109.235 108.800 -0.396 0.000 2.184 499 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.264 499 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.264 499 G C -0.367 174.385 174.900 -0.246 0.000 0.975 499 G CA -0.143 44.755 45.100 -0.336 0.000 0.642 499 G HN 0.327 nan 8.290 nan 0.000 0.536 500 W N 1.140 122.437 121.300 -0.005 0.000 2.338 500 W HA 0.661 5.321 4.660 -0.001 0.000 0.307 500 W C 0.775 177.265 176.519 -0.049 0.000 1.167 500 W CA -0.650 56.694 57.345 -0.003 0.000 1.208 500 W CB 0.900 30.387 29.460 0.045 0.000 1.228 500 W HN 0.349 nan 8.180 nan 0.000 0.499 501 G N 1.976 110.883 108.800 0.180 0.000 2.613 501 G HA2 0.582 4.542 3.960 -0.000 0.000 0.303 501 G HA3 0.582 4.542 3.960 -0.000 0.000 0.303 501 G C -1.316 173.638 174.900 0.091 0.000 1.312 501 G CA -0.506 44.636 45.100 0.070 0.000 1.036 501 G HN 0.286 nan 8.290 nan 0.000 0.513 502 E N -1.580 118.707 120.200 0.145 0.000 2.256 502 E HA 0.296 4.645 4.350 -0.000 0.000 0.268 502 E C -0.343 176.335 176.600 0.129 0.000 0.877 502 E CA -0.736 55.690 56.400 0.044 0.000 0.757 502 E CB 1.842 31.514 29.700 -0.047 0.000 1.183 502 E HN 0.536 nan 8.360 nan 0.000 0.418 503 Y N 2.352 122.593 120.300 -0.097 0.000 2.519 503 Y HA 0.370 4.920 4.550 -0.000 0.000 0.287 503 Y C 0.005 175.848 175.900 -0.095 0.000 1.128 503 Y CA 0.308 58.340 58.100 -0.113 0.000 1.282 503 Y CB 0.580 38.915 38.460 -0.209 0.000 1.027 503 Y HN 0.254 nan 8.280 nan 0.000 0.551 504 R N -0.430 119.717 120.500 -0.589 0.000 2.712 504 R HA 0.537 4.877 4.340 -0.000 0.000 0.272 504 R C -1.335 174.902 176.300 -0.107 0.000 1.032 504 R CA -0.033 55.703 56.100 -0.606 0.000 0.874 504 R CB 1.818 31.399 30.300 -1.198 0.000 1.256 504 R HN 0.260 nan 8.270 nan 0.000 0.468 505 T N -2.841 111.733 114.554 0.033 0.000 2.700 505 T HA 0.209 4.559 4.350 -0.000 0.000 0.307 505 T C -1.197 173.790 174.700 0.478 0.000 1.580 505 T CA -0.959 61.383 62.100 0.403 0.000 0.992 505 T CB 1.147 70.205 68.868 0.316 0.000 1.577 505 T HN 0.581 nan 8.240 nan 0.000 0.496 506 H N 0.559 119.906 119.070 0.461 0.000 2.690 506 H HA 0.324 4.880 4.556 -0.000 0.000 0.365 506 H C 1.314 176.792 175.328 0.249 0.000 1.142 506 H CA -0.157 56.116 56.048 0.375 0.000 1.417 506 H CB 0.827 30.849 29.762 0.434 0.000 1.446 506 H HN 0.642 nan 8.280 nan 0.000 0.599 507 L N 3.204 124.332 121.223 -0.158 0.000 2.051 507 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 507 L C 2.502 179.380 176.870 0.013 0.000 1.076 507 L CA 1.710 56.416 54.840 -0.222 0.000 0.758 507 L CB -0.739 40.796 42.059 -0.873 0.000 0.890 507 L HN 0.658 nan 8.230 nan 0.000 0.433 508 A N -1.362 121.605 122.820 0.244 0.000 2.264 508 A HA -0.042 4.278 4.320 -0.000 0.000 0.207 508 A C 1.131 178.285 177.584 -0.717 0.000 1.196 508 A CA 1.041 52.939 52.037 -0.232 0.000 0.778 508 A CB -0.597 18.081 19.000 -0.536 0.000 0.779 508 A HN 0.515 nan 8.150 nan 0.000 0.483 509 F N -3.197 116.891 119.950 0.230 0.000 3.031 509 F HA 0.229 4.756 4.527 -0.001 0.000 0.365 509 F C 1.586 177.496 175.800 0.183 0.000 1.128 509 F CA -0.296 57.817 58.000 0.188 0.000 1.068 509 F CB -0.422 38.683 39.000 0.175 0.000 1.280 509 F HN 0.037 nan 8.300 nan 0.000 0.529 510 M N 0.117 119.896 119.600 0.299 0.000 2.149 510 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 510 M C 1.383 177.821 176.300 0.230 0.000 1.064 510 M CA 1.645 57.075 55.300 0.216 0.000 1.102 510 M CB -0.402 32.269 32.600 0.117 0.000 1.369 510 M HN 0.033 nan 8.290 nan 0.000 0.408 511 D N 0.376 120.932 120.400 0.260 0.000 2.084 511 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 511 D C 1.965 178.427 176.300 0.270 0.000 0.990 511 D CA 1.336 55.515 54.000 0.298 0.000 0.826 511 D CB -0.462 40.549 40.800 0.352 0.000 0.971 511 D HN 0.483 nan 8.370 nan 0.000 0.453 512 Q N 0.272 120.230 119.800 0.263 0.000 2.084 512 Q HA -0.126 4.213 4.340 -0.000 0.000 0.202 512 Q C 2.378 178.518 176.000 0.234 0.000 0.978 512 Q CA 1.014 56.961 55.803 0.239 0.000 0.844 512 Q CB -0.084 28.808 28.738 0.256 0.000 0.898 512 Q HN 0.285 nan 8.270 nan 0.000 0.426 513 I N 0.282 121.012 120.570 0.266 0.000 2.315 513 I HA -0.260 3.909 4.170 -0.000 0.000 0.248 513 I C 2.446 178.763 176.117 0.334 0.000 1.117 513 I CA 0.762 62.221 61.300 0.266 0.000 1.404 513 I CB -0.201 37.959 38.000 0.267 0.000 1.071 513 I HN 0.404 nan 8.210 nan 0.000 0.419 514 M N 0.909 120.694 119.600 0.308 0.000 2.159 514 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 514 M C 2.004 178.507 176.300 0.337 0.000 1.063 514 M CA 1.805 57.310 55.300 0.342 0.000 1.110 514 M CB -0.522 32.238 32.600 0.268 0.000 1.374 514 M HN 0.021 nan 8.290 nan 0.000 0.411 515 E N -0.289 120.065 120.200 0.256 0.000 2.265 515 E HA -0.144 4.205 4.350 -0.000 0.000 0.196 515 E C 1.947 178.632 176.600 0.142 0.000 0.996 515 E CA 1.693 58.212 56.400 0.198 0.000 0.832 515 E CB -0.513 29.287 29.700 0.167 0.000 0.756 515 E HN 0.810 nan 8.360 nan 0.000 0.491 516 T N -2.298 112.317 114.554 0.101 0.000 2.904 516 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 516 T C 1.545 176.162 174.700 -0.140 0.000 1.059 516 T CA 0.548 62.612 62.100 -0.060 0.000 1.137 516 T CB -0.559 68.209 68.868 -0.166 0.000 0.879 516 T HN 0.089 nan 8.240 nan 0.000 0.467 517 Y N 3.610 123.955 120.300 0.075 0.000 2.497 517 Y HA 0.167 4.717 4.550 -0.000 0.000 0.345 517 Y C 1.531 177.500 175.900 0.114 0.000 1.204 517 Y CA -0.397 57.728 58.100 0.041 0.000 1.265 517 Y CB -1.058 37.365 38.460 -0.062 0.000 1.121 517 Y HN 0.436 nan 8.280 nan 0.000 0.493 518 N N -0.997 117.821 118.700 0.198 0.000 2.535 518 N HA -0.171 4.568 4.740 -0.000 0.000 0.203 518 N C -0.085 175.538 175.510 0.187 0.000 1.301 518 N CA -0.301 52.861 53.050 0.188 0.000 0.859 518 N CB -0.662 37.898 38.487 0.123 0.000 1.055 518 N HN 0.415 nan 8.380 nan 0.000 0.457 519 W N 2.164 123.505 121.300 0.067 0.000 2.257 519 W HA 0.076 4.735 4.660 -0.000 0.000 0.337 519 W C 0.833 177.390 176.519 0.063 0.000 1.321 519 W CA 0.860 58.233 57.345 0.047 0.000 1.267 519 W CB -0.089 29.390 29.460 0.031 0.000 1.187 519 W HN 0.521 nan 8.180 nan 0.000 0.565 520 N N 4.588 122.707 118.700 -0.968 0.000 2.754 520 N HA -0.319 4.421 4.740 -0.000 0.000 0.248 520 N C -0.355 174.945 175.510 -0.350 0.000 1.093 520 N CA 0.778 53.269 53.050 -0.931 0.000 0.699 520 N CB -1.314 36.327 38.487 -1.411 0.000 1.016 520 N HN 0.798 nan 8.380 nan 0.000 0.552 521 N N -0.826 117.753 118.700 -0.201 0.000 2.816 521 N HA -0.148 4.592 4.740 -0.000 0.000 0.247 521 N C -0.242 175.268 175.510 0.000 0.000 1.100 521 N CA 1.322 54.323 53.050 -0.082 0.000 0.687 521 N CB -1.699 36.733 38.487 -0.092 0.000 1.003 521 N HN 0.552 nan 8.380 nan 0.000 0.554 522 S N -2.594 113.143 115.700 0.061 0.000 3.476 522 S HA -0.263 4.207 4.470 -0.000 0.000 0.309 522 S C 1.377 176.082 174.600 0.175 0.000 1.222 522 S CA 1.217 59.505 58.200 0.145 0.000 0.922 522 S CB -1.418 61.854 63.200 0.120 0.000 1.023 522 S HN 0.755 nan 8.310 nan 0.000 0.591 523 S N 0.061 115.853 115.700 0.154 0.000 2.380 523 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 523 S C 1.332 176.089 174.600 0.262 0.000 1.043 523 S CA 2.032 60.334 58.200 0.171 0.000 1.038 523 S CB -0.338 62.956 63.200 0.156 0.000 0.872 523 S HN 0.656 nan 8.310 nan 0.000 0.456 524 F N 1.569 121.629 119.950 0.182 0.000 2.075 524 F HA -0.051 4.476 4.527 -0.001 0.000 0.297 524 F C 1.916 177.828 175.800 0.187 0.000 1.113 524 F CA 1.747 59.859 58.000 0.187 0.000 1.218 524 F CB -0.664 38.443 39.000 0.178 0.000 0.984 524 F HN 0.320 nan 8.300 nan 0.000 0.472 525 L N 1.007 122.373 121.223 0.238 0.000 2.046 525 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 525 L C 2.433 179.331 176.870 0.046 0.000 1.077 525 L CA 1.636 56.541 54.840 0.107 0.000 0.747 525 L CB -0.820 41.362 42.059 0.205 0.000 0.896 525 L HN 0.013 nan 8.230 nan 0.000 0.432 526 R N -0.934 119.621 120.500 0.091 0.000 2.091 526 R HA -0.203 4.137 4.340 -0.000 0.000 0.238 526 R C 2.258 178.596 176.300 0.064 0.000 1.136 526 R CA 1.824 57.968 56.100 0.073 0.000 0.959 526 R CB -1.406 28.947 30.300 0.089 0.000 0.856 526 R HN 0.453 nan 8.270 nan 0.000 0.437 527 F N 2.639 122.543 119.950 -0.077 0.000 2.171 527 F HA -0.115 4.411 4.527 -0.001 0.000 0.300 527 F C 1.878 177.584 175.800 -0.156 0.000 1.090 527 F CA 1.195 59.131 58.000 -0.107 0.000 1.293 527 F CB -0.248 38.680 39.000 -0.119 0.000 1.013 527 F HN -0.036 nan 8.300 nan 0.000 0.486 528 N N 0.738 119.278 118.700 -0.268 0.000 2.142 528 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 528 N C 1.730 177.082 175.510 -0.263 0.000 1.023 528 N CA 1.682 54.516 53.050 -0.360 0.000 0.852 528 N CB -0.437 37.846 38.487 -0.340 0.000 0.998 528 N HN 0.512 nan 8.380 nan 0.000 0.424 529 E N 0.596 120.715 120.200 -0.135 0.000 2.153 529 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 529 E C 2.036 178.578 176.600 -0.097 0.000 0.988 529 E CA 0.712 57.078 56.400 -0.056 0.000 0.811 529 E CB 0.054 29.784 29.700 0.051 0.000 0.746 529 E HN 0.107 nan 8.360 nan 0.000 0.466 530 V N 1.659 121.481 119.914 -0.154 0.000 2.295 530 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 530 V C 2.340 178.302 176.094 -0.220 0.000 1.049 530 V CA 1.542 63.745 62.300 -0.163 0.000 1.024 530 V CB -0.510 31.197 31.823 -0.193 0.000 0.648 530 V HN 0.269 nan 8.190 nan 0.000 0.447 531 L N -0.158 120.846 121.223 -0.365 0.000 2.046 531 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 531 L C 2.602 179.346 176.870 -0.210 0.000 1.077 531 L CA 1.750 56.388 54.840 -0.337 0.000 0.747 531 L CB -0.684 41.089 42.059 -0.477 0.000 0.896 531 L HN 0.319 nan 8.230 nan 0.000 0.432 532 K N 1.014 121.302 120.400 -0.188 0.000 1.978 532 K HA -0.179 4.140 4.320 -0.000 0.000 0.214 532 K C 1.833 178.389 176.600 -0.073 0.000 1.049 532 K CA 1.802 58.015 56.287 -0.123 0.000 0.939 532 K CB -0.372 32.066 32.500 -0.104 0.000 0.721 532 K HN 0.162 nan 8.250 nan 0.000 0.441 533 N N 0.433 119.103 118.700 -0.049 0.000 2.272 533 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 533 N C 1.571 177.066 175.510 -0.025 0.000 1.014 533 N CA 1.310 54.350 53.050 -0.016 0.000 0.870 533 N CB -0.342 38.150 38.487 0.010 0.000 0.975 533 N HN 0.401 nan 8.380 nan 0.000 0.433 534 A N 0.529 123.318 122.820 -0.051 0.000 1.898 534 A HA -0.036 4.283 4.320 -0.000 0.000 0.216 534 A C 2.452 180.015 177.584 -0.034 0.000 1.181 534 A CA 1.081 53.091 52.037 -0.045 0.000 0.620 534 A CB -0.485 18.474 19.000 -0.068 0.000 0.819 534 A HN 0.116 nan 8.150 nan 0.000 0.442 535 V N -0.076 119.812 119.914 -0.044 0.000 2.788 535 V HA -0.011 4.108 4.120 -0.000 0.000 0.251 535 V C 0.460 176.547 176.094 -0.011 0.000 1.068 535 V CA 1.695 63.980 62.300 -0.026 0.000 1.090 535 V CB -0.261 31.539 31.823 -0.038 0.000 0.710 535 V HN 0.645 nan 8.190 nan 0.000 0.467 536 D N -1.452 118.940 120.400 -0.013 0.000 2.330 536 D HA 0.254 4.894 4.640 -0.000 0.000 0.249 536 D C -2.170 174.137 176.300 0.012 0.000 1.306 536 D CA -1.707 52.294 54.000 0.001 0.000 0.956 536 D CB 1.914 42.710 40.800 -0.007 0.000 1.261 536 D HN -0.001 nan 8.370 nan 0.000 0.544 537 P HA -0.042 nan 4.420 nan 0.000 0.217 537 P C 0.800 178.123 177.300 0.038 0.000 1.150 537 P CA 0.790 63.903 63.100 0.022 0.000 0.832 537 P CB 0.350 32.059 31.700 0.016 0.000 0.787 538 N N -1.332 117.393 118.700 0.042 0.000 2.461 538 N HA 0.045 4.785 4.740 -0.000 0.000 0.188 538 N C 1.230 176.798 175.510 0.096 0.000 1.134 538 N CA 1.127 54.212 53.050 0.059 0.000 0.878 538 N CB -0.593 37.925 38.487 0.052 0.000 0.972 538 N HN 0.102 nan 8.380 nan 0.000 0.456 539 G N 1.294 110.146 108.800 0.087 0.000 2.225 539 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 539 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 539 G C 0.939 175.895 174.900 0.092 0.000 1.024 539 G CA 0.163 45.326 45.100 0.105 0.000 0.784 539 G HN 0.256 nan 8.290 nan 0.000 0.507 540 I N 0.150 120.765 120.570 0.075 0.000 2.226 540 I HA -0.006 4.164 4.170 -0.000 0.000 0.245 540 I C 1.988 178.138 176.117 0.056 0.000 1.100 540 I CA 0.919 62.270 61.300 0.084 0.000 1.374 540 I CB -0.609 37.439 38.000 0.080 0.000 1.057 540 I HN 0.317 nan 8.210 nan 0.000 0.413 541 I N 1.715 122.289 120.570 0.007 0.000 2.363 541 I HA 0.130 4.300 4.170 -0.000 0.000 0.292 541 I C 1.116 177.179 176.117 -0.090 0.000 1.075 541 I CA -0.276 61.002 61.300 -0.037 0.000 1.333 541 I CB 0.481 38.443 38.000 -0.063 0.000 1.415 541 I HN 0.219 nan 8.210 nan 0.000 0.502 542 A N 7.224 130.012 122.820 -0.054 0.000 2.500 542 A HA -0.157 4.163 4.320 -0.000 0.000 0.296 542 A C -1.969 175.559 177.584 -0.094 0.000 1.469 542 A CA -0.332 51.690 52.037 -0.025 0.000 0.793 542 A CB -1.895 16.793 19.000 -0.520 0.000 1.042 542 A HN 0.563 nan 8.150 nan 0.000 0.409 543 P HA 0.247 nan 4.420 nan 0.000 0.264 543 P C 1.212 178.048 177.300 -0.774 0.000 1.183 543 P CA 1.653 64.460 63.100 -0.488 0.000 0.763 543 P CB 0.472 31.739 31.700 -0.721 0.000 0.807 544 G N 1.285 109.332 108.800 -1.255 0.000 2.195 544 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 544 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 544 G C 0.272 174.726 174.900 -0.743 0.000 0.984 544 G CA 0.290 44.276 45.100 -1.856 0.000 0.633 544 G HN 0.753 nan 8.290 nan 0.000 0.525 545 K N 1.439 121.612 120.400 -0.379 0.000 2.484 545 K HA 0.442 4.762 4.320 -0.000 0.000 0.280 545 K C 1.357 177.826 176.600 -0.219 0.000 1.013 545 K CA 1.181 57.359 56.287 -0.182 0.000 1.029 545 K CB 0.055 32.398 32.500 -0.262 0.000 0.902 545 K HN 0.820 nan 8.250 nan 0.000 0.481 546 S N 2.543 118.168 115.700 -0.125 0.000 3.257 546 S HA -0.224 4.246 4.470 -0.000 0.000 0.300 546 S C 0.952 175.521 174.600 -0.052 0.000 1.275 546 S CA 1.441 59.593 58.200 -0.081 0.000 1.023 546 S CB -1.983 61.154 63.200 -0.104 0.000 1.180 546 S HN 1.355 nan 8.310 nan 0.000 0.660 547 G N -1.369 107.347 108.800 -0.139 0.000 2.175 547 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 547 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 547 G C 0.029 174.814 174.900 -0.191 0.000 0.982 547 G CA -0.074 44.977 45.100 -0.082 0.000 0.641 547 G HN 1.244 nan 8.290 nan 0.000 0.527 548 V N 0.883 120.625 119.914 -0.286 0.000 2.427 548 V HA 0.486 4.605 4.120 -0.000 0.000 0.268 548 V C 0.262 176.137 176.094 -0.365 0.000 1.046 548 V CA -0.141 62.041 62.300 -0.197 0.000 0.970 548 V CB 0.072 31.795 31.823 -0.167 0.000 1.001 548 V HN 0.287 nan 8.190 nan 0.000 0.476 549 W N 6.529 127.816 121.300 -0.021 0.000 2.469 549 W HA 0.517 5.177 4.660 -0.000 0.000 0.320 549 W C -2.162 174.326 176.519 -0.051 0.000 1.086 549 W CA -2.278 54.986 57.345 -0.136 0.000 1.211 549 W CB 0.883 30.142 29.460 -0.335 0.000 1.298 549 W HN 0.352 nan 8.180 nan 0.000 0.525 550 P HA 0.006 nan 4.420 nan 0.000 0.272 550 P C 0.916 178.372 177.300 0.261 0.000 1.240 550 P CA 0.023 63.234 63.100 0.186 0.000 0.791 550 P CB 0.856 32.670 31.700 0.191 0.000 0.978 551 S N 0.053 115.871 115.700 0.196 0.000 2.419 551 S HA -0.252 4.218 4.470 -0.000 0.000 0.235 551 S C 1.502 176.199 174.600 0.161 0.000 1.019 551 S CA 1.233 59.543 58.200 0.183 0.000 0.982 551 S CB -0.917 62.356 63.200 0.121 0.000 0.789 551 S HN 0.344 nan 8.310 nan 0.000 0.490 552 Q N 0.523 120.416 119.800 0.156 0.000 2.124 552 Q HA 0.104 4.443 4.340 -0.000 0.000 0.202 552 Q C -0.219 175.745 176.000 -0.061 0.000 0.977 552 Q CA 0.910 56.728 55.803 0.024 0.000 0.850 552 Q CB -0.599 28.105 28.738 -0.056 0.000 0.901 552 Q HN 0.731 nan 8.270 nan 0.000 0.429 553 Y N 1.243 121.555 120.300 0.021 0.000 2.436 553 Y HA 0.204 4.753 4.550 -0.001 0.000 0.343 553 Y C 0.448 176.362 175.900 0.024 0.000 1.008 553 Y CA -1.023 57.067 58.100 -0.017 0.000 1.241 553 Y CB 0.437 38.707 38.460 -0.317 0.000 1.153 553 Y HN -0.074 nan 8.280 nan 0.000 0.521 554 S N 1.362 117.202 115.700 0.235 0.000 2.549 554 S HA 0.044 4.514 4.470 -0.000 0.000 0.279 554 S C 0.478 175.098 174.600 0.033 0.000 1.321 554 S CA -0.598 57.682 58.200 0.134 0.000 1.054 554 S CB 0.512 63.754 63.200 0.070 0.000 0.899 554 S HN 0.750 nan 8.310 nan 0.000 0.497 555 H N 2.034 121.098 119.070 -0.011 0.000 2.491 555 H HA 0.015 4.571 4.556 -0.001 0.000 0.290 555 H C 1.741 177.015 175.328 -0.090 0.000 1.050 555 H CA 1.378 57.371 56.048 -0.091 0.000 1.309 555 H CB -0.295 29.467 29.762 -0.000 0.000 1.392 555 H HN 0.466 nan 8.280 nan 0.000 0.554 556 V N -0.267 119.670 119.914 0.038 0.000 2.307 556 V HA -0.226 3.893 4.120 -0.000 0.000 0.245 556 V C 2.172 178.190 176.094 -0.126 0.000 1.045 556 V CA 2.253 64.537 62.300 -0.026 0.000 1.024 556 V CB -0.571 31.238 31.823 -0.024 0.000 0.651 556 V HN 0.484 nan 8.190 nan 0.000 0.449 557 T N -1.307 113.115 114.554 -0.221 0.000 2.812 557 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 557 T C 1.534 175.851 174.700 -0.639 0.000 1.042 557 T CA 1.610 63.432 62.100 -0.463 0.000 1.140 557 T CB -0.289 68.209 68.868 -0.616 0.000 0.870 557 T HN 0.596 nan 8.240 nan 0.000 0.445 558 W N 1.715 122.812 121.300 -0.338 0.000 2.481 558 W HA 0.250 4.910 4.660 -0.000 0.000 0.293 558 W C 1.156 177.431 176.519 -0.407 0.000 1.201 558 W CA -0.397 56.617 57.345 -0.552 0.000 1.328 558 W CB -0.138 28.575 29.460 -1.244 0.000 1.112 558 W HN -0.022 nan 8.180 nan 0.000 0.546 559 K N 1.159 121.469 120.400 -0.151 0.000 2.339 559 K HA 0.248 4.568 4.320 -0.000 0.000 0.260 559 K C -0.132 176.559 176.600 0.151 0.000 0.989 559 K CA 0.340 56.691 56.287 0.108 0.000 0.888 559 K CB 0.432 33.022 32.500 0.150 0.000 0.983 559 K HN 0.015 nan 8.250 nan 0.000 0.515 560 L N 0.000 121.345 121.223 0.203 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 560 L CA 0.000 54.928 54.840 0.147 0.000 0.813 560 L CB 0.000 42.168 42.059 0.182 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502