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 1db2_1_B DATA FIRST_RESID 3 DATA SEQUENCE HPPSYVAHLA SDFGVRVFQQ VAQASKDRNV VFSPYGVASV LAMLQLTTGG DATA SEQUENCE ETQQQIQAAM GFKIDDKGMA PALRHLYKEL MGPWNKDEIS TTDAIFVQRD DATA SEQUENCE LKLVQGFMPH FFRLFRSTVK QVDFSEVERA RFIINDWVKT HTKGMISHLL DATA SEQUENCE GTGAVDQLTR LVLVNALYFN GQWKTPFPDS STHRRLFHKS DGSTVSVPMM DATA SEQUENCE AQTNKFNYTE FTTPDGHYYD ILELPYHGDT LSMFIAAPYE KEVPLSALTN DATA SEQUENCE ILSAQLISHW KGNMTRLPRL LVLPKFSLET EVDLRKPLEN LGMTDMFRPF DATA SEQUENCE QADFTSLSDQ EPLHVALALQ KVKIEVNESG TXXXXXXXXX XXXXXXPEEI DATA SEQUENCE IIDRPFLFVV RHNPTGTVLF MGQVMEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.241 175.328 -0.145 0.000 0.993 3 H CA 0.000 55.894 56.048 -0.257 0.000 1.023 3 H CB 0.000 29.508 29.762 -0.423 0.000 1.292 4 P HA 0.149 nan 4.420 nan 0.000 0.302 4 P C -2.288 175.078 177.300 0.111 0.000 1.301 4 P CA -1.133 62.035 63.100 0.113 0.000 0.745 4 P CB 0.641 32.439 31.700 0.163 0.000 1.331 5 P HA 0.075 nan 4.420 nan 0.000 0.245 5 P C 1.634 178.980 177.300 0.076 0.000 1.199 5 P CA 0.632 63.766 63.100 0.058 0.000 0.807 5 P CB -0.024 31.689 31.700 0.021 0.000 1.002 6 S N -1.643 114.094 115.700 0.062 0.000 2.489 6 S HA -0.097 4.373 4.470 0.000 0.000 0.228 6 S C 1.639 176.270 174.600 0.051 0.000 0.995 6 S CA 0.218 58.437 58.200 0.030 0.000 0.934 6 S CB -0.896 62.290 63.200 -0.024 0.000 0.771 6 S HN -0.083 nan 8.310 nan 0.000 0.522 7 Y N 2.103 122.373 120.300 -0.050 0.000 2.165 7 Y HA -0.149 4.401 4.550 0.000 0.000 0.286 7 Y C 2.591 178.456 175.900 -0.058 0.000 1.155 7 Y CA 1.228 59.293 58.100 -0.059 0.000 1.164 7 Y CB -1.000 37.380 38.460 -0.133 0.000 0.978 7 Y HN 0.278 nan 8.280 nan 0.000 0.513 8 V N -0.505 119.439 119.914 0.050 0.000 2.255 8 V HA -0.291 3.829 4.120 0.000 0.000 0.247 8 V C 2.300 178.386 176.094 -0.015 0.000 1.051 8 V CA 2.250 64.433 62.300 -0.196 0.000 1.018 8 V CB -1.542 30.092 31.823 -0.314 0.000 0.641 8 V HN 0.308 nan 8.190 nan 0.000 0.445 9 A N -0.393 122.471 122.820 0.073 0.000 1.948 9 A HA -0.319 4.001 4.320 0.000 0.000 0.220 9 A C 2.159 179.829 177.584 0.143 0.000 1.177 9 A CA 2.583 54.690 52.037 0.116 0.000 0.636 9 A CB -1.151 17.912 19.000 0.105 0.000 0.815 9 A HN 0.923 nan 8.150 nan 0.000 0.449 10 H N -0.458 118.661 119.070 0.081 0.000 2.307 10 H HA 0.078 4.634 4.556 0.000 0.000 0.303 10 H C 1.836 177.253 175.328 0.148 0.000 1.073 10 H CA 1.813 57.915 56.048 0.091 0.000 1.338 10 H CB -0.307 29.499 29.762 0.073 0.000 1.389 10 H HN 0.330 nan 8.280 nan 0.000 0.503 11 L N -0.249 121.075 121.223 0.168 0.000 2.012 11 L HA -0.217 4.123 4.340 0.000 0.000 0.210 11 L C 2.783 179.799 176.870 0.242 0.000 1.073 11 L CA 1.151 56.115 54.840 0.208 0.000 0.748 11 L CB -0.731 41.501 42.059 0.288 0.000 0.891 11 L HN 0.449 nan 8.230 nan 0.000 0.431 12 A N -0.858 122.110 122.820 0.247 0.000 1.873 12 A HA -0.261 4.059 4.320 0.000 0.000 0.218 12 A C 2.492 180.223 177.584 0.244 0.000 1.193 12 A CA 2.407 54.636 52.037 0.319 0.000 0.629 12 A CB -0.877 18.288 19.000 0.275 0.000 0.826 12 A HN 0.373 nan 8.150 nan 0.000 0.447 13 S N -0.763 115.007 115.700 0.116 0.000 2.382 13 S HA -0.172 4.298 4.470 0.000 0.000 0.228 13 S C 1.802 176.395 174.600 -0.011 0.000 1.027 13 S CA 1.600 59.828 58.200 0.046 0.000 0.991 13 S CB -0.434 62.761 63.200 -0.008 0.000 0.823 13 S HN 0.718 nan 8.310 nan 0.000 0.469 14 D N 0.079 120.416 120.400 -0.105 0.000 2.144 14 D HA -0.102 4.538 4.640 0.000 0.000 0.199 14 D C 1.625 177.970 176.300 0.074 0.000 0.984 14 D CA 0.856 54.801 54.000 -0.091 0.000 0.834 14 D CB -0.158 40.540 40.800 -0.171 0.000 0.955 14 D HN 0.367 nan 8.370 nan 0.000 0.465 15 F N 0.496 120.462 119.950 0.028 0.000 2.146 15 F HA 0.100 4.627 4.527 0.000 0.000 0.298 15 F C 2.176 178.027 175.800 0.085 0.000 1.096 15 F CA 1.811 59.847 58.000 0.059 0.000 1.275 15 F CB -0.669 38.378 39.000 0.079 0.000 1.008 15 F HN -0.006 nan 8.300 nan 0.000 0.480 16 G N 0.142 108.942 108.800 0.000 0.000 2.442 16 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 16 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 16 G C 1.716 176.640 174.900 0.040 0.000 1.141 16 G CA 1.261 46.367 45.100 0.010 0.000 0.763 16 G HN 0.356 nan 8.290 nan 0.000 0.554 17 V N 0.661 120.584 119.914 0.014 0.000 2.358 17 V HA -0.142 3.978 4.120 0.000 0.000 0.246 17 V C 2.916 179.008 176.094 -0.004 0.000 1.047 17 V CA 1.874 64.196 62.300 0.035 0.000 1.035 17 V CB -0.452 31.362 31.823 -0.015 0.000 0.658 17 V HN 0.333 nan 8.190 nan 0.000 0.452 18 R N -0.223 120.225 120.500 -0.086 0.000 2.073 18 R HA -0.127 4.213 4.340 0.000 0.000 0.234 18 R C 2.266 178.438 176.300 -0.214 0.000 1.134 18 R CA 1.529 57.555 56.100 -0.124 0.000 0.952 18 R CB -0.784 29.466 30.300 -0.083 0.000 0.850 18 R HN 0.400 nan 8.270 nan 0.000 0.433 19 V N 1.323 121.033 119.914 -0.339 0.000 2.231 19 V HA -0.295 3.825 4.120 0.000 0.000 0.248 19 V C 2.083 177.914 176.094 -0.439 0.000 1.054 19 V CA 2.134 64.220 62.300 -0.357 0.000 1.015 19 V CB -0.696 30.944 31.823 -0.306 0.000 0.638 19 V HN 0.236 nan 8.190 nan 0.000 0.444 20 F N 1.099 120.678 119.950 -0.619 0.000 2.147 20 F HA -0.290 4.237 4.527 0.000 0.000 0.301 20 F C 2.490 178.038 175.800 -0.420 0.000 1.084 20 F CA 2.141 59.690 58.000 -0.751 0.000 1.268 20 F CB -0.421 38.361 39.000 -0.364 0.000 1.009 20 F HN 0.237 nan 8.300 nan 0.000 0.486 21 Q N -0.416 119.146 119.800 -0.398 0.000 2.124 21 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 21 Q C 2.201 177.936 176.000 -0.443 0.000 0.977 21 Q CA 1.532 57.082 55.803 -0.422 0.000 0.850 21 Q CB -0.363 28.267 28.738 -0.179 0.000 0.901 21 Q HN 0.516 nan 8.270 nan 0.000 0.429 22 Q N 0.124 119.702 119.800 -0.369 0.000 2.084 22 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 22 Q C 2.365 178.143 176.000 -0.369 0.000 0.978 22 Q CA 1.112 56.735 55.803 -0.299 0.000 0.844 22 Q CB -0.465 28.133 28.738 -0.233 0.000 0.898 22 Q HN 0.263 nan 8.270 nan 0.000 0.426 23 V N 1.482 121.085 119.914 -0.519 0.000 2.255 23 V HA -0.288 3.832 4.120 0.000 0.000 0.247 23 V C 2.438 178.239 176.094 -0.488 0.000 1.051 23 V CA 2.008 64.014 62.300 -0.490 0.000 1.018 23 V CB -1.184 30.305 31.823 -0.557 0.000 0.641 23 V HN 0.361 nan 8.190 nan 0.000 0.445 24 A N -0.998 121.376 122.820 -0.743 0.000 1.933 24 A HA -0.294 4.026 4.320 0.000 0.000 0.218 24 A C 2.157 179.546 177.584 -0.326 0.000 1.175 24 A CA 1.965 53.666 52.037 -0.558 0.000 0.628 24 A CB -0.519 18.040 19.000 -0.735 0.000 0.814 24 A HN 0.646 nan 8.150 nan 0.000 0.444 25 Q N -0.842 118.776 119.800 -0.305 0.000 2.170 25 Q HA -0.061 4.279 4.340 0.000 0.000 0.203 25 Q C 2.117 178.022 176.000 -0.158 0.000 0.976 25 Q CA 1.352 57.038 55.803 -0.195 0.000 0.858 25 Q CB -0.307 28.329 28.738 -0.170 0.000 0.907 25 Q HN 0.691 nan 8.270 nan 0.000 0.433 26 A N 0.063 122.778 122.820 -0.174 0.000 2.218 26 A HA 0.030 4.350 4.320 0.000 0.000 0.209 26 A C 1.177 178.694 177.584 -0.111 0.000 1.168 26 A CA 0.527 52.486 52.037 -0.130 0.000 0.804 26 A CB 0.416 19.339 19.000 -0.128 0.000 0.834 26 A HN 0.219 nan 8.150 nan 0.000 0.482 27 S N -0.231 115.392 115.700 -0.128 0.000 2.809 27 S HA 0.238 4.708 4.470 0.000 0.000 0.248 27 S C 0.004 174.552 174.600 -0.085 0.000 1.071 27 S CA -0.594 57.550 58.200 -0.094 0.000 1.059 27 S CB -0.177 62.971 63.200 -0.086 0.000 0.923 27 S HN 0.536 nan 8.310 nan 0.000 0.516 28 K N 2.379 122.726 120.400 -0.089 0.000 2.511 28 K HA -0.063 4.257 4.320 0.000 0.000 0.280 28 K C -0.098 176.473 176.600 -0.047 0.000 1.008 28 K CA 0.986 57.230 56.287 -0.071 0.000 1.050 28 K CB -0.016 32.444 32.500 -0.067 0.000 0.889 28 K HN 0.163 nan 8.250 nan 0.000 0.484 29 D N 1.249 121.628 120.400 -0.036 0.000 2.704 29 D HA -0.149 4.491 4.640 0.000 0.000 0.186 29 D C -0.621 175.669 176.300 -0.017 0.000 0.957 29 D CA 1.193 55.182 54.000 -0.019 0.000 1.011 29 D CB -0.435 40.357 40.800 -0.014 0.000 1.064 29 D HN 0.691 nan 8.370 nan 0.000 0.453 30 R N 0.572 121.057 120.500 -0.024 0.000 2.732 30 R HA 0.472 4.813 4.340 0.000 0.000 0.278 30 R C 0.183 176.475 176.300 -0.012 0.000 0.976 30 R CA -0.754 55.336 56.100 -0.016 0.000 0.963 30 R CB 0.796 31.087 30.300 -0.015 0.000 1.150 30 R HN -0.103 nan 8.270 nan 0.000 0.478 31 N N 0.329 119.025 118.700 -0.006 0.000 2.441 31 N HA 0.164 4.904 4.740 0.000 0.000 0.251 31 N C -1.029 174.516 175.510 0.058 0.000 1.242 31 N CA 0.288 53.343 53.050 0.007 0.000 0.898 31 N CB 0.827 39.321 38.487 0.011 0.000 1.100 31 N HN 0.174 nan 8.380 nan 0.000 0.443 32 V N 1.281 121.261 119.914 0.109 0.000 2.752 32 V HA 0.294 4.414 4.120 0.000 0.000 0.302 32 V C -0.861 175.391 176.094 0.264 0.000 1.133 32 V CA -0.850 61.557 62.300 0.179 0.000 0.919 32 V CB 2.167 34.093 31.823 0.171 0.000 1.026 32 V HN 0.338 nan 8.190 nan 0.000 0.429 33 V N 5.970 126.079 119.914 0.326 0.000 2.540 33 V HA 0.836 4.956 4.120 0.000 0.000 0.302 33 V C -1.524 174.839 176.094 0.449 0.000 1.035 33 V CA -0.343 62.194 62.300 0.395 0.000 0.873 33 V CB 1.711 33.824 31.823 0.482 0.000 0.992 33 V HN 0.746 nan 8.190 nan 0.000 0.428 34 F N 4.245 124.328 119.950 0.222 0.000 2.629 34 F HA 0.752 5.279 4.527 0.000 0.000 0.316 34 F C -0.225 175.693 175.800 0.197 0.000 1.081 34 F CA -0.383 57.751 58.000 0.224 0.000 0.954 34 F CB 2.437 41.619 39.000 0.302 0.000 1.337 34 F HN 0.426 nan 8.300 nan 0.000 0.474 35 S N 4.387 119.713 115.700 -0.623 0.000 2.653 35 S HA 0.431 4.901 4.470 0.000 0.000 0.272 35 S C -2.396 171.973 174.600 -0.385 0.000 1.221 35 S CA -1.498 56.466 58.200 -0.393 0.000 1.149 35 S CB 1.129 64.115 63.200 -0.356 0.000 1.029 35 S HN 0.392 nan 8.310 nan 0.000 0.481 36 P HA -0.144 nan 4.420 nan 0.000 0.215 36 P C 1.040 178.378 177.300 0.063 0.000 1.157 36 P CA 0.898 64.066 63.100 0.114 0.000 0.868 36 P CB -0.079 31.683 31.700 0.103 0.000 0.788 37 Y N 0.734 120.978 120.300 -0.093 0.000 2.128 37 Y HA -0.163 4.387 4.550 0.000 0.000 0.284 37 Y C 2.410 178.283 175.900 -0.046 0.000 1.154 37 Y CA 2.080 60.144 58.100 -0.059 0.000 1.149 37 Y CB -1.292 37.094 38.460 -0.123 0.000 0.976 37 Y HN -0.134 nan 8.280 nan 0.000 0.505 38 G N -0.001 108.603 108.800 -0.328 0.000 2.553 38 G HA2 -0.349 3.611 3.960 0.000 0.000 0.218 38 G HA3 -0.349 3.611 3.960 0.000 0.000 0.218 38 G C 1.840 176.579 174.900 -0.269 0.000 1.195 38 G CA 1.645 46.529 45.100 -0.361 0.000 0.779 38 G HN 0.454 nan 8.290 nan 0.000 0.577 39 V N 1.141 120.953 119.914 -0.170 0.000 2.515 39 V HA 0.058 4.178 4.120 0.000 0.000 0.250 39 V C 3.133 179.298 176.094 0.118 0.000 1.058 39 V CA 2.317 64.614 62.300 -0.005 0.000 1.064 39 V CB -0.503 31.385 31.823 0.108 0.000 0.675 39 V HN 0.476 nan 8.190 nan 0.000 0.461 40 A N -0.853 122.047 122.820 0.132 0.000 1.898 40 A HA -0.180 4.140 4.320 0.000 0.000 0.216 40 A C 2.556 180.158 177.584 0.030 0.000 1.181 40 A CA 2.114 54.294 52.037 0.238 0.000 0.620 40 A CB -0.933 18.233 19.000 0.277 0.000 0.819 40 A HN 0.612 nan 8.150 nan 0.000 0.442 41 S N -0.674 114.929 115.700 -0.162 0.000 2.348 41 S HA -0.151 4.319 4.470 0.000 0.000 0.221 41 S C 1.982 176.469 174.600 -0.189 0.000 1.033 41 S CA 1.868 59.930 58.200 -0.230 0.000 1.010 41 S CB -0.683 62.210 63.200 -0.512 0.000 0.891 41 S HN 0.541 nan 8.310 nan 0.000 0.442 42 V N 1.740 121.553 119.914 -0.168 0.000 2.427 42 V HA -0.029 4.091 4.120 0.000 0.000 0.248 42 V C 2.335 178.373 176.094 -0.093 0.000 1.051 42 V CA 1.552 63.767 62.300 -0.142 0.000 1.048 42 V CB -0.511 31.258 31.823 -0.090 0.000 0.666 42 V HN 0.540 nan 8.190 nan 0.000 0.456 43 L N -0.040 121.165 121.223 -0.030 0.000 2.056 43 L HA -0.073 4.267 4.340 0.000 0.000 0.207 43 L C 2.820 179.631 176.870 -0.100 0.000 1.078 43 L CA 2.153 56.975 54.840 -0.030 0.000 0.749 43 L CB -1.667 40.416 42.059 0.040 0.000 0.901 43 L HN 0.464 nan 8.230 nan 0.000 0.433 44 A N -0.193 122.568 122.820 -0.097 0.000 1.892 44 A HA -0.288 4.032 4.320 0.000 0.000 0.218 44 A C 2.335 179.906 177.584 -0.023 0.000 1.188 44 A CA 2.084 54.097 52.037 -0.041 0.000 0.631 44 A CB -0.471 18.603 19.000 0.123 0.000 0.822 44 A HN 0.348 nan 8.150 nan 0.000 0.447 45 M N -1.620 117.828 119.600 -0.254 0.000 2.080 45 M HA -0.163 4.317 4.480 0.000 0.000 0.260 45 M C 2.184 178.485 176.300 0.001 0.000 1.068 45 M CA 1.663 56.672 55.300 -0.486 0.000 1.109 45 M CB -0.419 31.776 32.600 -0.676 0.000 1.342 45 M HN 0.437 nan 8.290 nan 0.000 0.405 46 L N 0.662 121.885 121.223 -0.000 0.000 2.081 46 L HA -0.283 4.057 4.340 0.000 0.000 0.212 46 L C 2.365 179.284 176.870 0.082 0.000 1.080 46 L CA 1.897 56.785 54.840 0.080 0.000 0.754 46 L CB -0.679 41.409 42.059 0.048 0.000 0.893 46 L HN 0.358 nan 8.230 nan 0.000 0.433 47 Q N -0.942 118.869 119.800 0.019 0.000 2.062 47 Q HA -0.288 4.052 4.340 0.000 0.000 0.209 47 Q C 2.306 178.345 176.000 0.064 0.000 0.996 47 Q CA 2.292 58.084 55.803 -0.018 0.000 0.859 47 Q CB -0.424 28.280 28.738 -0.056 0.000 0.920 47 Q HN 0.542 nan 8.270 nan 0.000 0.415 48 L N 0.264 121.594 121.223 0.178 0.000 2.051 48 L HA -0.228 4.112 4.340 0.000 0.000 0.214 48 L C 2.625 179.717 176.870 0.370 0.000 1.076 48 L CA 1.900 56.891 54.840 0.251 0.000 0.758 48 L CB -1.034 41.246 42.059 0.369 0.000 0.890 48 L HN 0.478 nan 8.230 nan 0.000 0.433 49 T N -4.284 110.504 114.554 0.389 0.000 3.113 49 T HA -0.044 4.306 4.350 0.000 0.000 0.263 49 T C 0.945 175.715 174.700 0.117 0.000 1.143 49 T CA 0.632 62.914 62.100 0.304 0.000 1.090 49 T CB -0.714 68.313 68.868 0.265 0.000 0.922 49 T HN 0.485 nan 8.240 nan 0.000 0.521 50 T N -1.645 112.868 114.554 -0.068 0.000 2.892 50 T HA 0.755 5.106 4.350 0.000 0.000 0.280 50 T C 0.355 174.945 174.700 -0.184 0.000 1.004 50 T CA -0.213 61.671 62.100 -0.360 0.000 0.950 50 T CB 1.585 70.160 68.868 -0.489 0.000 1.309 50 T HN 0.590 nan 8.240 nan 0.000 0.592 51 G N -2.505 106.164 108.800 -0.219 0.000 2.488 51 G HA2 0.617 4.577 3.960 0.000 0.000 0.301 51 G HA3 0.617 4.577 3.960 0.000 0.000 0.301 51 G C 0.220 175.040 174.900 -0.133 0.000 1.339 51 G CA 0.017 45.044 45.100 -0.121 0.000 0.803 51 G HN 1.746 nan 8.290 nan 0.000 0.482 52 G N -0.410 108.340 108.800 -0.083 0.000 2.581 52 G HA2 -0.229 3.731 3.960 0.000 0.000 0.291 52 G HA3 -0.229 3.731 3.960 0.000 0.000 0.291 52 G C 0.925 175.776 174.900 -0.082 0.000 1.277 52 G CA 0.935 45.994 45.100 -0.069 0.000 0.959 52 G HN 0.868 nan 8.290 nan 0.000 0.554 53 E N 0.046 120.204 120.200 -0.071 0.000 2.268 53 E HA -0.036 4.314 4.350 0.000 0.000 0.195 53 E C 2.851 179.395 176.600 -0.095 0.000 0.995 53 E CA 1.485 57.845 56.400 -0.067 0.000 0.836 53 E CB -0.572 29.102 29.700 -0.043 0.000 0.763 53 E HN 0.532 nan 8.360 nan 0.000 0.491 54 T N 0.743 115.215 114.554 -0.137 0.000 2.737 54 T HA -0.162 4.188 4.350 0.000 0.000 0.265 54 T C 1.870 176.441 174.700 -0.216 0.000 1.038 54 T CA 1.267 63.247 62.100 -0.200 0.000 1.144 54 T CB -0.072 68.601 68.868 -0.325 0.000 0.866 54 T HN 0.224 nan 8.240 nan 0.000 0.434 55 Q N 0.189 119.863 119.800 -0.210 0.000 2.084 55 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 55 Q C 2.464 178.376 176.000 -0.147 0.000 0.978 55 Q CA 1.029 56.722 55.803 -0.183 0.000 0.844 55 Q CB 0.006 28.658 28.738 -0.145 0.000 0.898 55 Q HN 0.348 nan 8.270 nan 0.000 0.426 56 Q N 0.503 120.232 119.800 -0.118 0.000 2.030 56 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 56 Q C 2.005 177.944 176.000 -0.102 0.000 0.986 56 Q CA 1.833 57.577 55.803 -0.099 0.000 0.843 56 Q CB -0.275 28.419 28.738 -0.073 0.000 0.904 56 Q HN 0.546 nan 8.270 nan 0.000 0.420 57 Q N -0.109 119.635 119.800 -0.092 0.000 2.096 57 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 57 Q C 2.212 178.153 176.000 -0.099 0.000 0.982 57 Q CA 1.372 57.132 55.803 -0.071 0.000 0.850 57 Q CB -0.261 28.450 28.738 -0.046 0.000 0.901 57 Q HN 0.377 nan 8.270 nan 0.000 0.422 58 I N 0.604 121.087 120.570 -0.144 0.000 2.252 58 I HA -0.288 3.882 4.170 0.000 0.000 0.245 58 I C 2.409 178.352 176.117 -0.289 0.000 1.102 58 I CA 1.275 62.450 61.300 -0.207 0.000 1.385 58 I CB -0.268 37.599 38.000 -0.221 0.000 1.064 58 I HN 0.233 nan 8.210 nan 0.000 0.414 59 Q N 0.615 120.267 119.800 -0.247 0.000 2.079 59 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 59 Q C 2.505 178.377 176.000 -0.214 0.000 0.974 59 Q CA 1.627 57.271 55.803 -0.265 0.000 0.840 59 Q CB -0.280 28.343 28.738 -0.191 0.000 0.898 59 Q HN 0.586 nan 8.270 nan 0.000 0.430 60 A N 1.072 123.805 122.820 -0.145 0.000 1.902 60 A HA -0.096 4.224 4.320 0.000 0.000 0.217 60 A C 2.237 179.775 177.584 -0.076 0.000 1.181 60 A CA 1.637 53.618 52.037 -0.094 0.000 0.623 60 A CB -0.629 18.335 19.000 -0.058 0.000 0.818 60 A HN 0.386 nan 8.150 nan 0.000 0.443 61 A N -1.053 121.715 122.820 -0.087 0.000 2.016 61 A HA 0.141 4.461 4.320 0.000 0.000 0.217 61 A C 2.108 179.612 177.584 -0.134 0.000 1.162 61 A CA 1.338 53.372 52.037 -0.004 0.000 0.662 61 A CB -0.386 18.684 19.000 0.117 0.000 0.812 61 A HN 0.513 nan 8.150 nan 0.000 0.450 62 M N -1.768 117.565 119.600 -0.446 0.000 2.476 62 M HA 0.183 4.663 4.480 0.000 0.000 0.262 62 M C 1.409 177.578 176.300 -0.217 0.000 1.111 62 M CA 0.874 55.778 55.300 -0.659 0.000 1.127 62 M CB 0.291 32.210 32.600 -1.135 0.000 1.376 62 M HN 0.581 nan 8.290 nan 0.000 0.465 63 G N 2.002 110.711 108.800 -0.150 0.000 2.136 63 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 63 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 63 G C -0.149 174.812 174.900 0.103 0.000 0.989 63 G CA 0.329 45.440 45.100 0.019 0.000 0.682 63 G HN 0.577 nan 8.290 nan 0.000 0.522 64 F N -2.449 117.420 119.950 -0.136 0.000 2.807 64 F HA 0.771 5.298 4.527 0.000 0.000 0.316 64 F C -1.082 174.650 175.800 -0.113 0.000 1.162 64 F CA -1.959 55.967 58.000 -0.123 0.000 0.910 64 F CB 0.767 39.739 39.000 -0.047 0.000 1.314 64 F HN -0.024 nan 8.300 nan 0.000 0.454 65 K N 2.182 122.664 120.400 0.137 0.000 2.394 65 K HA 0.407 4.728 4.320 0.000 0.000 0.260 65 K C 0.129 176.827 176.600 0.162 0.000 0.967 65 K CA -0.824 55.484 56.287 0.034 0.000 0.855 65 K CB 2.645 35.147 32.500 0.004 0.000 1.101 65 K HN 0.722 nan 8.250 nan 0.000 0.433 66 I N 2.143 122.778 120.570 0.107 0.000 2.399 66 I HA -0.254 3.916 4.170 0.000 0.000 0.254 66 I C 1.096 177.245 176.117 0.055 0.000 1.146 66 I CA 1.771 63.160 61.300 0.148 0.000 1.412 66 I CB -0.078 38.004 38.000 0.136 0.000 1.076 66 I HN 0.629 nan 8.210 nan 0.000 0.432 67 D N 0.093 120.518 120.400 0.042 0.000 2.323 67 D HA -0.029 4.611 4.640 0.000 0.000 0.209 67 D C 0.441 176.761 176.300 0.033 0.000 0.973 67 D CA 0.316 54.341 54.000 0.041 0.000 0.874 67 D CB -0.224 40.615 40.800 0.066 0.000 0.930 67 D HN 0.330 nan 8.370 nan 0.000 0.521 68 D N 0.792 121.216 120.400 0.039 0.000 2.400 68 D HA -0.018 4.622 4.640 0.000 0.000 0.238 68 D C 0.479 176.787 176.300 0.014 0.000 1.157 68 D CA 0.035 54.051 54.000 0.026 0.000 0.889 68 D CB 0.555 41.375 40.800 0.033 0.000 1.199 68 D HN -0.181 nan 8.370 nan 0.000 0.436 69 K N 0.237 120.641 120.400 0.006 0.000 2.472 69 K HA 0.252 4.572 4.320 0.000 0.000 0.280 69 K C 1.039 177.636 176.600 -0.004 0.000 1.028 69 K CA 0.854 57.139 56.287 -0.003 0.000 1.045 69 K CB -0.094 32.405 32.500 -0.003 0.000 0.902 69 K HN 0.558 nan 8.250 nan 0.000 0.478 70 G N 3.978 112.768 108.800 -0.016 0.000 2.205 70 G HA2 -0.275 3.685 3.960 0.000 0.000 0.261 70 G HA3 -0.275 3.685 3.960 0.000 0.000 0.261 70 G C 0.735 175.618 174.900 -0.027 0.000 0.980 70 G CA 0.447 45.536 45.100 -0.020 0.000 0.632 70 G HN 0.495 nan 8.290 nan 0.000 0.533 71 M N 0.401 119.985 119.600 -0.026 0.000 2.160 71 M HA 0.271 4.751 4.480 0.000 0.000 0.264 71 M C 2.976 179.258 176.300 -0.029 0.000 1.073 71 M CA 2.014 57.288 55.300 -0.044 0.000 1.142 71 M CB -1.656 30.962 32.600 0.029 0.000 1.358 71 M HN 0.585 nan 8.290 nan 0.000 0.422 72 A N 1.100 123.889 122.820 -0.052 0.000 1.858 72 A HA -0.099 4.221 4.320 0.000 0.000 0.216 72 A C -0.170 177.367 177.584 -0.079 0.000 1.190 72 A CA 1.540 53.503 52.037 -0.124 0.000 0.617 72 A CB -2.124 16.691 19.000 -0.308 0.000 0.827 72 A HN 0.295 nan 8.150 nan 0.000 0.443 73 P HA -0.184 nan 4.420 nan 0.000 0.216 73 P C 1.757 179.078 177.300 0.035 0.000 1.153 73 P CA 2.137 65.219 63.100 -0.029 0.000 0.858 73 P CB -0.122 31.555 31.700 -0.038 0.000 0.789 74 A N -0.780 122.058 122.820 0.031 0.000 1.877 74 A HA -0.164 4.156 4.320 0.000 0.000 0.216 74 A C 2.233 179.885 177.584 0.114 0.000 1.186 74 A CA 1.441 53.525 52.037 0.078 0.000 0.620 74 A CB -1.637 17.378 19.000 0.026 0.000 0.822 74 A HN 0.104 nan 8.150 nan 0.000 0.443 75 L N -1.179 120.098 121.223 0.090 0.000 2.083 75 L HA -0.181 4.159 4.340 0.000 0.000 0.209 75 L C 2.891 179.874 176.870 0.190 0.000 1.083 75 L CA 0.984 55.915 54.840 0.152 0.000 0.752 75 L CB -0.502 41.661 42.059 0.173 0.000 0.899 75 L HN 0.279 nan 8.230 nan 0.000 0.433 76 R N -0.713 119.875 120.500 0.146 0.000 2.083 76 R HA -0.190 4.150 4.340 0.000 0.000 0.237 76 R C 2.184 178.617 176.300 0.221 0.000 1.137 76 R CA 1.453 57.651 56.100 0.164 0.000 0.951 76 R CB -1.070 29.277 30.300 0.079 0.000 0.851 76 R HN 0.534 nan 8.270 nan 0.000 0.434 77 H N 0.175 119.297 119.070 0.087 0.000 2.293 77 H HA -0.137 4.419 4.556 0.000 0.000 0.300 77 H C 2.012 177.384 175.328 0.072 0.000 1.082 77 H CA 1.740 57.830 56.048 0.069 0.000 1.308 77 H CB 0.057 29.843 29.762 0.040 0.000 1.375 77 H HN 0.020 nan 8.280 nan 0.000 0.495 78 L N 0.790 122.010 121.223 -0.004 0.000 2.043 78 L HA -0.250 4.090 4.340 0.000 0.000 0.212 78 L C 2.450 179.273 176.870 -0.078 0.000 1.075 78 L CA 1.947 56.733 54.840 -0.089 0.000 0.752 78 L CB -1.220 40.860 42.059 0.034 0.000 0.891 78 L HN 0.327 nan 8.230 nan 0.000 0.432 79 Y N 0.284 120.578 120.300 -0.010 0.000 2.114 79 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 79 Y C 2.606 178.495 175.900 -0.018 0.000 1.143 79 Y CA 2.278 60.399 58.100 0.036 0.000 1.135 79 Y CB -0.285 38.243 38.460 0.112 0.000 0.980 79 Y HN 0.155 nan 8.280 nan 0.000 0.499 80 K N 0.115 120.488 120.400 -0.045 0.000 2.063 80 K HA -0.251 4.070 4.320 0.000 0.000 0.208 80 K C 2.175 178.676 176.600 -0.165 0.000 1.048 80 K CA 1.767 57.975 56.287 -0.131 0.000 0.928 80 K CB -0.251 32.269 32.500 0.034 0.000 0.713 80 K HN 0.433 nan 8.250 nan 0.000 0.442 81 E N 0.444 120.509 120.200 -0.226 0.000 2.267 81 E HA -0.176 4.174 4.350 0.000 0.000 0.197 81 E C 1.203 177.801 176.600 -0.003 0.000 0.998 81 E CA 0.887 57.186 56.400 -0.169 0.000 0.830 81 E CB 0.104 29.599 29.700 -0.340 0.000 0.751 81 E HN 0.267 nan 8.360 nan 0.000 0.491 82 L N -0.702 120.454 121.223 -0.111 0.000 2.640 82 L HA 0.172 4.512 4.340 0.000 0.000 0.230 82 L C 1.640 178.453 176.870 -0.095 0.000 1.123 82 L CA -0.208 54.704 54.840 0.120 0.000 0.900 82 L CB 0.242 42.235 42.059 -0.111 0.000 1.146 82 L HN 0.067 nan 8.230 nan 0.000 0.484 83 M N 0.727 120.160 119.600 -0.277 0.000 2.383 83 M HA 0.278 4.758 4.480 0.000 0.000 0.247 83 M C 1.261 177.374 176.300 -0.311 0.000 1.117 83 M CA -0.029 55.039 55.300 -0.388 0.000 0.995 83 M CB -0.390 31.885 32.600 -0.542 0.000 1.480 83 M HN 0.206 nan 8.290 nan 0.000 0.485 84 G N 2.210 110.880 108.800 -0.216 0.000 2.597 84 G HA2 0.023 3.983 3.960 0.000 0.000 0.283 84 G HA3 0.023 3.983 3.960 0.000 0.000 0.283 84 G C -1.390 173.315 174.900 -0.325 0.000 1.319 84 G CA -0.479 44.552 45.100 -0.116 0.000 1.054 84 G HN 0.213 nan 8.290 nan 0.000 0.583 85 P HA -0.040 nan 4.420 nan 0.000 0.224 85 P C 1.782 179.044 177.300 -0.063 0.000 1.157 85 P CA 1.273 64.331 63.100 -0.070 0.000 0.799 85 P CB -0.080 31.648 31.700 0.047 0.000 0.809 86 W N 1.409 122.741 121.300 0.053 0.000 2.350 86 W HA -0.071 4.589 4.660 0.000 0.000 0.289 86 W C 0.249 176.879 176.519 0.184 0.000 1.215 86 W CA 0.316 57.718 57.345 0.095 0.000 1.236 86 W CB -2.216 27.254 29.460 0.016 0.000 1.130 86 W HN -0.014 nan 8.180 nan 0.000 0.541 87 N N 2.740 120.872 118.700 -0.946 0.000 2.448 87 N HA 0.016 4.756 4.740 0.000 0.000 0.250 87 N C -0.496 174.821 175.510 -0.322 0.000 1.136 87 N CA 0.139 52.713 53.050 -0.794 0.000 0.953 87 N CB 0.163 37.783 38.487 -1.445 0.000 1.251 87 N HN 0.050 nan 8.380 nan 0.000 0.502 88 K N 2.778 123.105 120.400 -0.122 0.000 2.737 88 K HA 0.067 4.387 4.320 0.000 0.000 0.251 88 K C -0.677 175.851 176.600 -0.120 0.000 1.280 88 K CA -0.228 55.992 56.287 -0.113 0.000 1.219 88 K CB -0.249 32.178 32.500 -0.120 0.000 1.587 88 K HN 0.543 nan 8.250 nan 0.000 0.279 89 D N 1.078 121.406 120.400 -0.119 0.000 2.723 89 D HA -0.167 4.473 4.640 0.000 0.000 0.236 89 D C 0.190 176.460 176.300 -0.050 0.000 1.138 89 D CA 1.085 55.040 54.000 -0.076 0.000 0.676 89 D CB -0.654 40.105 40.800 -0.069 0.000 1.069 89 D HN 0.582 nan 8.370 nan 0.000 0.430 90 E N -0.579 119.580 120.200 -0.068 0.000 2.340 90 E HA 0.279 4.629 4.350 0.000 0.000 0.198 90 E C 0.816 177.449 176.600 0.055 0.000 0.961 90 E CA 0.158 56.492 56.400 -0.110 0.000 0.905 90 E CB 1.285 30.906 29.700 -0.132 0.000 0.884 90 E HN 0.432 nan 8.360 nan 0.000 0.491 91 I N 0.936 121.597 120.570 0.152 0.000 2.569 91 I HA 0.259 4.429 4.170 0.000 0.000 0.290 91 I C -1.502 174.732 176.117 0.196 0.000 1.088 91 I CA -0.482 60.994 61.300 0.294 0.000 1.047 91 I CB 1.845 40.064 38.000 0.365 0.000 1.237 91 I HN -0.134 nan 8.210 nan 0.000 0.421 92 S N 4.328 120.192 115.700 0.273 0.000 2.526 92 S HA 0.703 5.173 4.470 0.000 0.000 0.293 92 S C -0.689 174.073 174.600 0.269 0.000 1.092 92 S CA -0.604 57.730 58.200 0.224 0.000 0.980 92 S CB 2.031 65.354 63.200 0.205 0.000 1.048 92 S HN 0.678 nan 8.310 nan 0.000 0.483 93 T N 1.694 116.407 114.554 0.265 0.000 3.041 93 T HA 0.723 5.073 4.350 0.000 0.000 0.321 93 T C -1.337 173.529 174.700 0.277 0.000 1.184 93 T CA -0.399 61.867 62.100 0.277 0.000 1.050 93 T CB 1.269 70.322 68.868 0.309 0.000 1.159 93 T HN 0.729 nan 8.240 nan 0.000 0.469 94 T N 2.116 116.812 114.554 0.238 0.000 2.896 94 T HA 0.778 5.128 4.350 0.000 0.000 0.297 94 T C -1.697 173.093 174.700 0.150 0.000 1.108 94 T CA -0.937 61.313 62.100 0.249 0.000 1.004 94 T CB 1.924 71.042 68.868 0.417 0.000 1.159 94 T HN 0.478 nan 8.240 nan 0.000 0.499 95 D N 0.132 120.580 120.400 0.080 0.000 2.738 95 D HA 0.740 5.380 4.640 0.000 0.000 0.237 95 D C -1.053 175.125 176.300 -0.204 0.000 1.123 95 D CA -0.308 53.653 54.000 -0.064 0.000 0.856 95 D CB 2.072 42.776 40.800 -0.160 0.000 1.552 95 D HN 0.974 nan 8.370 nan 0.000 0.480 96 A N 1.830 124.465 122.820 -0.308 0.000 2.512 96 A HA 0.581 4.901 4.320 0.000 0.000 0.294 96 A C -1.397 175.839 177.584 -0.580 0.000 1.054 96 A CA -0.565 51.042 52.037 -0.716 0.000 0.756 96 A CB 0.667 18.929 19.000 -1.231 0.000 1.293 96 A HN 0.462 nan 8.150 nan 0.000 0.395 97 I N 2.533 122.716 120.570 -0.645 0.000 2.382 97 I HA 0.462 4.632 4.170 0.000 0.000 0.286 97 I C -1.271 174.519 176.117 -0.546 0.000 1.002 97 I CA -0.380 60.685 61.300 -0.391 0.000 1.135 97 I CB 1.285 39.139 38.000 -0.245 0.000 1.288 97 I HN 0.553 nan 8.210 nan 0.000 0.448 98 F N 6.304 126.156 119.950 -0.163 0.000 2.427 98 F HA 0.597 5.124 4.527 0.000 0.000 0.346 98 F C 0.106 175.881 175.800 -0.043 0.000 1.120 98 F CA -0.838 57.089 58.000 -0.122 0.000 1.033 98 F CB 1.471 40.446 39.000 -0.042 0.000 1.126 98 F HN 0.080 nan 8.300 nan 0.000 0.462 99 V N 2.698 122.627 119.914 0.024 0.000 2.960 99 V HA 0.482 4.602 4.120 0.000 0.000 0.315 99 V C -0.866 175.204 176.094 -0.039 0.000 1.087 99 V CA -0.814 61.481 62.300 -0.008 0.000 0.982 99 V CB 2.125 33.858 31.823 -0.149 0.000 1.039 99 V HN 0.695 nan 8.190 nan 0.000 0.437 100 Q N 3.552 123.367 119.800 0.024 0.000 2.286 100 Q HA 0.238 4.578 4.340 0.000 0.000 0.267 100 Q C 1.127 177.079 176.000 -0.080 0.000 1.028 100 Q CA 0.705 56.504 55.803 -0.007 0.000 0.901 100 Q CB 0.723 29.521 28.738 0.100 0.000 1.183 100 Q HN 0.648 nan 8.270 nan 0.000 0.392 101 R N 3.041 123.472 120.500 -0.116 0.000 2.112 101 R HA -0.205 4.135 4.340 0.000 0.000 0.242 101 R C 0.756 177.021 176.300 -0.059 0.000 1.137 101 R CA 2.155 58.201 56.100 -0.089 0.000 0.944 101 R CB -0.046 30.203 30.300 -0.084 0.000 0.857 101 R HN 0.750 nan 8.270 nan 0.000 0.435 102 D N 0.599 120.973 120.400 -0.043 0.000 2.221 102 D HA -0.084 4.556 4.640 0.000 0.000 0.204 102 D C 0.724 177.004 176.300 -0.033 0.000 0.982 102 D CA 0.522 54.504 54.000 -0.031 0.000 0.857 102 D CB -0.138 40.652 40.800 -0.018 0.000 0.934 102 D HN 0.160 nan 8.370 nan 0.000 0.475 103 L N 1.191 122.387 121.223 -0.045 0.000 2.559 103 L HA -0.039 4.301 4.340 0.000 0.000 0.282 103 L C 0.909 177.747 176.870 -0.054 0.000 1.232 103 L CA 0.627 55.434 54.840 -0.054 0.000 0.885 103 L CB 0.259 42.271 42.059 -0.079 0.000 1.131 103 L HN -0.224 nan 8.230 nan 0.000 0.498 104 K N 4.443 124.817 120.400 -0.044 0.000 2.267 104 K HA 0.387 4.707 4.320 0.000 0.000 0.282 104 K C -0.491 176.081 176.600 -0.048 0.000 1.078 104 K CA -0.384 55.882 56.287 -0.034 0.000 0.903 104 K CB 0.706 33.195 32.500 -0.017 0.000 1.111 104 K HN 0.423 nan 8.250 nan 0.000 0.475 105 L N 3.713 124.904 121.223 -0.053 0.000 2.417 105 L HA 0.188 4.528 4.340 0.000 0.000 0.268 105 L C 0.705 177.570 176.870 -0.008 0.000 1.158 105 L CA -0.752 54.043 54.840 -0.074 0.000 0.819 105 L CB 0.840 42.853 42.059 -0.076 0.000 1.112 105 L HN 0.368 nan 8.230 nan 0.000 0.458 106 V N 1.175 121.094 119.914 0.008 0.000 2.999 106 V HA 0.036 4.156 4.120 0.000 0.000 0.307 106 V C 0.351 176.517 176.094 0.121 0.000 1.084 106 V CA -0.508 61.834 62.300 0.069 0.000 1.155 106 V CB 0.896 32.773 31.823 0.089 0.000 0.975 106 V HN 0.837 nan 8.190 nan 0.000 0.490 107 Q N 2.454 122.309 119.800 0.092 0.000 2.297 107 Q HA 0.362 4.702 4.340 0.000 0.000 0.267 107 Q C 1.136 177.204 176.000 0.112 0.000 1.006 107 Q CA 1.081 56.937 55.803 0.088 0.000 0.896 107 Q CB 0.723 29.494 28.738 0.055 0.000 1.186 107 Q HN 1.641 nan 8.270 nan 0.000 0.392 108 G N 3.818 112.690 108.800 0.120 0.000 2.175 108 G HA2 -0.341 3.619 3.960 0.000 0.000 0.244 108 G HA3 -0.341 3.619 3.960 0.000 0.000 0.244 108 G C 0.292 175.293 174.900 0.169 0.000 0.982 108 G CA 0.329 45.498 45.100 0.115 0.000 0.641 108 G HN 0.691 nan 8.290 nan 0.000 0.527 109 F N 1.352 121.365 119.950 0.104 0.000 2.060 109 F HA 0.124 4.651 4.527 0.000 0.000 0.295 109 F C 2.806 178.701 175.800 0.158 0.000 1.120 109 F CA 2.389 60.466 58.000 0.128 0.000 1.205 109 F CB -0.259 38.775 39.000 0.057 0.000 0.986 109 F HN 0.132 nan 8.300 nan 0.000 0.470 110 M N 0.656 120.417 119.600 0.268 0.000 2.110 110 M HA -0.203 4.277 4.480 0.000 0.000 0.257 110 M C -0.167 176.203 176.300 0.117 0.000 1.071 110 M CA 2.413 57.820 55.300 0.178 0.000 1.096 110 M CB -2.666 30.034 32.600 0.167 0.000 1.300 110 M HN 0.106 nan 8.290 nan 0.000 0.411 111 P HA -0.136 nan 4.420 nan 0.000 0.217 111 P C 1.481 178.890 177.300 0.181 0.000 1.150 111 P CA 1.425 64.613 63.100 0.148 0.000 0.832 111 P CB -0.384 31.373 31.700 0.094 0.000 0.787 112 H N -1.197 117.859 119.070 -0.024 0.000 2.456 112 H HA -0.120 4.436 4.556 0.000 0.000 0.296 112 H C 1.692 176.952 175.328 -0.113 0.000 1.079 112 H CA 1.131 57.132 56.048 -0.079 0.000 1.322 112 H CB -1.052 28.643 29.762 -0.111 0.000 1.388 112 H HN 0.039 nan 8.280 nan 0.000 0.538 113 F N -0.564 119.194 119.950 -0.320 0.000 2.098 113 F HA -0.080 4.447 4.527 0.000 0.000 0.294 113 F C 2.202 177.983 175.800 -0.030 0.000 1.107 113 F CA 1.255 59.082 58.000 -0.290 0.000 1.234 113 F CB -0.774 38.007 39.000 -0.365 0.000 1.002 113 F HN 0.176 nan 8.300 nan 0.000 0.472 114 F N 0.858 120.852 119.950 0.074 0.000 2.234 114 F HA -0.098 4.429 4.527 0.000 0.000 0.299 114 F C 2.458 178.225 175.800 -0.056 0.000 1.087 114 F CA 1.355 59.381 58.000 0.043 0.000 1.340 114 F CB -0.383 38.674 39.000 0.095 0.000 1.031 114 F HN -0.127 nan 8.300 nan 0.000 0.500 115 R N 0.977 121.485 120.500 0.014 0.000 2.070 115 R HA -0.092 4.248 4.340 0.000 0.000 0.233 115 R C 1.989 178.118 176.300 -0.285 0.000 1.137 115 R CA 2.168 58.221 56.100 -0.079 0.000 0.945 115 R CB -1.044 29.281 30.300 0.041 0.000 0.845 115 R HN 0.428 nan 8.270 nan 0.000 0.430 116 L N -0.811 120.147 121.223 -0.442 0.000 2.395 116 L HA 0.076 4.416 4.340 0.000 0.000 0.218 116 L C 1.089 177.362 176.870 -0.995 0.000 1.130 116 L CA 0.711 55.105 54.840 -0.744 0.000 0.826 116 L CB -0.167 41.267 42.059 -1.040 0.000 0.941 116 L HN 0.132 nan 8.230 nan 0.000 0.451 117 F N -1.708 117.956 119.950 -0.478 0.000 2.784 117 F HA 0.285 4.812 4.527 0.000 0.000 0.316 117 F C 0.706 176.242 175.800 -0.441 0.000 1.026 117 F CA -0.585 57.127 58.000 -0.479 0.000 1.188 117 F CB 0.440 39.039 39.000 -0.667 0.000 0.999 117 F HN -0.196 nan 8.300 nan 0.000 0.605 118 R N 1.215 121.442 120.500 -0.454 0.000 3.527 118 R HA -0.135 4.205 4.340 0.000 0.000 0.288 118 R C -0.408 175.759 176.300 -0.222 0.000 1.146 118 R CA 0.724 56.406 56.100 -0.696 0.000 0.778 118 R CB -2.796 27.250 30.300 -0.422 0.000 1.289 118 R HN 0.492 nan 8.270 nan 0.000 0.454 119 S N -3.022 112.685 115.700 0.011 0.000 2.625 119 S HA 0.703 5.173 4.470 0.000 0.000 0.271 119 S C -0.432 174.468 174.600 0.500 0.000 1.161 119 S CA -0.082 58.264 58.200 0.243 0.000 0.820 119 S CB 3.305 66.572 63.200 0.112 0.000 1.137 119 S HN 0.210 nan 8.310 nan 0.000 0.470 120 T N 0.263 115.056 114.554 0.398 0.000 2.893 120 T HA 0.584 4.934 4.350 0.000 0.000 0.291 120 T C -0.887 173.820 174.700 0.012 0.000 1.028 120 T CA -0.517 61.772 62.100 0.315 0.000 0.995 120 T CB 1.339 70.317 68.868 0.183 0.000 1.051 120 T HN 0.745 nan 8.240 nan 0.000 0.470 121 V N 5.333 125.097 119.914 -0.250 0.000 2.529 121 V HA 0.222 4.342 4.120 0.000 0.000 0.292 121 V C 0.275 176.173 176.094 -0.327 0.000 1.028 121 V CA -0.051 61.998 62.300 -0.418 0.000 1.074 121 V CB 0.340 31.887 31.823 -0.459 0.000 0.958 121 V HN 0.809 nan 8.190 nan 0.000 0.481 122 K N 4.322 124.435 120.400 -0.479 0.000 2.237 122 K HA 0.397 4.717 4.320 0.000 0.000 0.270 122 K C -0.209 176.262 176.600 -0.214 0.000 1.015 122 K CA -0.007 56.054 56.287 -0.376 0.000 0.949 122 K CB 0.531 32.682 32.500 -0.581 0.000 0.976 122 K HN 0.638 nan 8.250 nan 0.000 0.472 123 Q N 1.139 120.866 119.800 -0.122 0.000 2.316 123 Q HA 0.558 4.898 4.340 0.000 0.000 0.264 123 Q C -1.044 174.885 176.000 -0.118 0.000 0.987 123 Q CA -0.920 54.814 55.803 -0.115 0.000 0.852 123 Q CB 1.713 30.395 28.738 -0.094 0.000 1.287 123 Q HN 0.486 nan 8.270 nan 0.000 0.448 124 V N -1.456 118.311 119.914 -0.244 0.000 3.114 124 V HA 0.506 4.626 4.120 0.000 0.000 0.308 124 V C -1.122 174.709 176.094 -0.438 0.000 1.168 124 V CA -1.165 60.925 62.300 -0.350 0.000 1.015 124 V CB 2.210 33.710 31.823 -0.538 0.000 1.050 124 V HN 0.618 nan 8.190 nan 0.000 0.433 125 D N 1.055 121.276 120.400 -0.299 0.000 2.456 125 D HA 0.420 5.060 4.640 0.000 0.000 0.219 125 D C 0.317 176.522 176.300 -0.159 0.000 1.126 125 D CA -0.474 53.416 54.000 -0.184 0.000 0.890 125 D CB 0.638 41.389 40.800 -0.082 0.000 1.025 125 D HN 0.427 nan 8.370 nan 0.000 0.511 126 F N 1.324 121.259 119.950 -0.026 0.000 2.502 126 F HA -0.099 4.428 4.527 0.000 0.000 0.298 126 F C 2.618 178.402 175.800 -0.027 0.000 1.111 126 F CA 0.585 58.564 58.000 -0.035 0.000 1.445 126 F CB -0.476 38.492 39.000 -0.054 0.000 1.081 126 F HN 0.372 nan 8.300 nan 0.000 0.558 127 S N -0.853 114.925 115.700 0.130 0.000 2.423 127 S HA -0.175 4.295 4.470 0.000 0.000 0.231 127 S C 1.146 175.781 174.600 0.058 0.000 1.014 127 S CA 0.705 58.951 58.200 0.076 0.000 0.965 127 S CB -0.378 62.847 63.200 0.043 0.000 0.785 127 S HN 0.282 nan 8.310 nan 0.000 0.495 128 E N 1.910 122.140 120.200 0.050 0.000 2.069 128 E HA 0.319 4.669 4.350 0.000 0.000 0.254 128 E C 0.924 177.558 176.600 0.057 0.000 1.088 128 E CA -0.119 56.301 56.400 0.034 0.000 1.017 128 E CB 0.662 30.367 29.700 0.009 0.000 1.226 128 E HN 0.270 nan 8.360 nan 0.000 0.458 129 V N 2.312 122.269 119.914 0.072 0.000 2.332 129 V HA -0.237 3.883 4.120 0.000 0.000 0.248 129 V C 1.431 177.573 176.094 0.080 0.000 1.055 129 V CA 1.776 64.131 62.300 0.091 0.000 1.038 129 V CB -0.069 31.796 31.823 0.070 0.000 0.651 129 V HN 0.463 nan 8.190 nan 0.000 0.450 130 E N 0.482 120.717 120.200 0.058 0.000 2.106 130 E HA -0.213 4.137 4.350 0.000 0.000 0.192 130 E C 2.298 178.956 176.600 0.098 0.000 0.984 130 E CA 1.447 57.888 56.400 0.069 0.000 0.806 130 E CB -0.382 29.345 29.700 0.044 0.000 0.750 130 E HN 0.609 nan 8.360 nan 0.000 0.458 131 R N 1.585 122.123 120.500 0.064 0.000 2.073 131 R HA -0.071 4.269 4.340 0.000 0.000 0.234 131 R C 2.181 178.555 176.300 0.124 0.000 1.134 131 R CA 1.727 57.872 56.100 0.074 0.000 0.952 131 R CB -0.869 29.440 30.300 0.014 0.000 0.850 131 R HN 0.137 nan 8.270 nan 0.000 0.433 132 A N 0.858 123.725 122.820 0.079 0.000 1.849 132 A HA -0.257 4.063 4.320 0.000 0.000 0.217 132 A C 2.224 179.847 177.584 0.066 0.000 1.202 132 A CA 2.154 54.225 52.037 0.056 0.000 0.629 132 A CB -0.684 18.430 19.000 0.190 0.000 0.834 132 A HN 0.450 nan 8.150 nan 0.000 0.447 133 R N -1.942 118.615 120.500 0.096 0.000 2.096 133 R HA -0.191 4.149 4.340 0.000 0.000 0.240 133 R C 2.042 178.383 176.300 0.068 0.000 1.139 133 R CA 1.800 57.937 56.100 0.062 0.000 0.952 133 R CB -0.684 29.662 30.300 0.078 0.000 0.854 133 R HN 0.593 nan 8.270 nan 0.000 0.436 134 F N 1.556 121.507 119.950 0.003 0.000 2.126 134 F HA -0.229 4.298 4.527 0.000 0.000 0.299 134 F C 2.025 177.840 175.800 0.026 0.000 1.096 134 F CA 1.370 59.379 58.000 0.014 0.000 1.255 134 F CB -0.023 38.984 39.000 0.011 0.000 0.997 134 F HN -0.096 nan 8.300 nan 0.000 0.479 135 I N 0.524 121.196 120.570 0.170 0.000 2.127 135 I HA -0.322 3.848 4.170 0.000 0.000 0.241 135 I C 2.529 178.652 176.117 0.011 0.000 1.075 135 I CA 1.701 63.071 61.300 0.117 0.000 1.334 135 I CB -1.347 36.713 38.000 0.099 0.000 1.040 135 I HN 0.224 nan 8.210 nan 0.000 0.405 136 I N 0.771 121.220 120.570 -0.201 0.000 2.226 136 I HA -0.318 3.852 4.170 0.000 0.000 0.245 136 I C 2.357 178.436 176.117 -0.064 0.000 1.100 136 I CA 1.579 62.642 61.300 -0.395 0.000 1.374 136 I CB -0.524 37.123 38.000 -0.588 0.000 1.057 136 I HN 0.291 nan 8.210 nan 0.000 0.413 137 N N 1.042 119.688 118.700 -0.090 0.000 2.058 137 N HA -0.253 4.487 4.740 0.000 0.000 0.191 137 N C 1.565 177.038 175.510 -0.062 0.000 1.037 137 N CA 1.816 54.830 53.050 -0.059 0.000 0.848 137 N CB -0.148 38.275 38.487 -0.107 0.000 1.021 137 N HN 0.227 nan 8.380 nan 0.000 0.422 138 D N -0.539 119.725 120.400 -0.228 0.000 2.182 138 D HA -0.195 4.445 4.640 0.000 0.000 0.201 138 D C 1.714 178.040 176.300 0.044 0.000 0.986 138 D CA 0.890 54.767 54.000 -0.205 0.000 0.847 138 D CB -0.180 40.376 40.800 -0.407 0.000 0.942 138 D HN 0.458 nan 8.370 nan 0.000 0.467 139 W N 0.840 122.170 121.300 0.050 0.000 2.332 139 W HA -0.242 4.418 4.660 0.000 0.000 0.321 139 W C 1.748 178.386 176.519 0.197 0.000 1.219 139 W CA 1.238 58.689 57.345 0.177 0.000 1.277 139 W CB -0.772 28.843 29.460 0.259 0.000 1.161 139 W HN -0.099 nan 8.180 nan 0.000 0.476 140 V N 1.785 121.937 119.914 0.396 0.000 2.332 140 V HA -0.353 3.767 4.120 0.000 0.000 0.248 140 V C 2.590 178.744 176.094 0.101 0.000 1.055 140 V CA 2.671 65.135 62.300 0.273 0.000 1.038 140 V CB -1.148 30.817 31.823 0.238 0.000 0.651 140 V HN 0.197 nan 8.190 nan 0.000 0.450 141 K N 0.421 120.847 120.400 0.044 0.000 2.057 141 K HA -0.214 4.106 4.320 0.000 0.000 0.207 141 K C 2.191 178.753 176.600 -0.062 0.000 1.049 141 K CA 2.077 58.354 56.287 -0.017 0.000 0.931 141 K CB -0.318 32.154 32.500 -0.048 0.000 0.714 141 K HN 0.690 nan 8.250 nan 0.000 0.440 142 T N -2.175 112.320 114.554 -0.099 0.000 2.942 142 T HA -0.073 4.277 4.350 0.000 0.000 0.265 142 T C 1.171 175.662 174.700 -0.349 0.000 1.062 142 T CA 1.061 63.025 62.100 -0.227 0.000 1.139 142 T CB -0.413 68.274 68.868 -0.301 0.000 0.883 142 T HN 0.351 nan 8.240 nan 0.000 0.468 143 H N 1.645 120.511 119.070 -0.340 0.000 2.533 143 H HA 0.281 4.837 4.556 0.000 0.000 0.271 143 H C 1.360 176.642 175.328 -0.077 0.000 1.000 143 H CA 0.970 56.874 56.048 -0.240 0.000 1.149 143 H CB 0.042 29.596 29.762 -0.347 0.000 1.375 143 H HN 0.609 nan 8.280 nan 0.000 0.582 144 T N -2.637 111.929 114.554 0.020 0.000 3.393 144 T HA 0.183 4.533 4.350 0.000 0.000 0.298 144 T C 0.407 175.073 174.700 -0.057 0.000 1.004 144 T CA -0.750 61.377 62.100 0.045 0.000 0.956 144 T CB -0.147 68.780 68.868 0.098 0.000 1.182 144 T HN 0.128 nan 8.240 nan 0.000 0.497 145 K N 1.149 121.494 120.400 -0.092 0.000 3.035 145 K HA -0.207 4.113 4.320 0.000 0.000 0.262 145 K C 1.215 177.722 176.600 -0.154 0.000 1.024 145 K CA 0.566 56.774 56.287 -0.133 0.000 0.748 145 K CB -1.913 30.503 32.500 -0.139 0.000 1.247 145 K HN 1.027 nan 8.250 nan 0.000 0.482 146 G N -0.016 108.710 108.800 -0.123 0.000 2.166 146 G HA2 -0.361 3.599 3.960 0.000 0.000 0.260 146 G HA3 -0.361 3.599 3.960 0.000 0.000 0.260 146 G C 0.694 175.512 174.900 -0.137 0.000 0.986 146 G CA 0.714 45.749 45.100 -0.108 0.000 0.683 146 G HN 0.304 nan 8.290 nan 0.000 0.527 147 M N -0.411 119.053 119.600 -0.226 0.000 2.506 147 M HA 0.272 4.752 4.480 0.000 0.000 0.260 147 M C 1.092 177.332 176.300 -0.100 0.000 1.104 147 M CA 0.689 55.800 55.300 -0.316 0.000 1.112 147 M CB -0.374 31.661 32.600 -0.942 0.000 1.401 147 M HN 0.172 nan 8.290 nan 0.000 0.473 148 I N 2.056 122.618 120.570 -0.014 0.000 2.325 148 I HA 0.108 4.278 4.170 0.000 0.000 0.291 148 I C 0.971 177.121 176.117 0.056 0.000 1.019 148 I CA -0.509 60.828 61.300 0.063 0.000 1.302 148 I CB 0.452 38.514 38.000 0.104 0.000 1.401 148 I HN 0.156 nan 8.210 nan 0.000 0.485 149 S N 6.811 122.547 115.700 0.060 0.000 2.566 149 S HA 0.015 4.485 4.470 0.000 0.000 0.280 149 S C 0.483 175.122 174.600 0.065 0.000 1.343 149 S CA -0.325 57.919 58.200 0.072 0.000 1.036 149 S CB 0.213 63.438 63.200 0.041 0.000 0.866 149 S HN 0.677 nan 8.310 nan 0.000 0.526 150 H N 1.321 120.400 119.070 0.016 0.000 2.948 150 H HA 0.166 4.722 4.556 0.000 0.000 0.351 150 H C -0.198 175.144 175.328 0.023 0.000 1.079 150 H CA -0.724 55.330 56.048 0.010 0.000 1.407 150 H CB -0.092 29.671 29.762 0.001 0.000 1.373 150 H HN 0.491 nan 8.280 nan 0.000 0.605 151 L N 3.269 124.510 121.223 0.030 0.000 2.534 151 L HA -0.072 4.268 4.340 0.000 0.000 0.271 151 L C 1.342 178.189 176.870 -0.038 0.000 1.178 151 L CA 0.415 55.247 54.840 -0.013 0.000 0.907 151 L CB -0.102 41.975 42.059 0.030 0.000 1.164 151 L HN 0.667 nan 8.230 nan 0.000 0.482 152 L N 3.065 124.242 121.223 -0.078 0.000 2.375 152 L HA 0.123 4.463 4.340 0.000 0.000 0.215 152 L C 2.056 178.922 176.870 -0.006 0.000 1.108 152 L CA 0.672 55.486 54.840 -0.043 0.000 0.830 152 L CB -0.403 41.619 42.059 -0.062 0.000 0.959 152 L HN 0.861 nan 8.230 nan 0.000 0.457 153 G N 0.013 108.810 108.800 -0.006 0.000 2.708 153 G HA2 -0.172 3.788 3.960 0.000 0.000 0.210 153 G HA3 -0.172 3.788 3.960 0.000 0.000 0.210 153 G C 1.497 176.393 174.900 -0.007 0.000 1.141 153 G CA 1.039 46.137 45.100 -0.003 0.000 0.788 153 G HN 0.436 nan 8.290 nan 0.000 0.531 154 T N -2.563 111.990 114.554 -0.002 0.000 3.148 154 T HA 0.186 4.536 4.350 0.000 0.000 0.253 154 T C 2.306 177.001 174.700 -0.009 0.000 1.134 154 T CA 0.828 62.919 62.100 -0.014 0.000 1.051 154 T CB 0.336 69.197 68.868 -0.012 0.000 0.959 154 T HN 0.117 nan 8.240 nan 0.000 0.525 155 G N 1.631 110.433 108.800 0.003 0.000 2.475 155 G HA2 -0.066 3.894 3.960 0.000 0.000 0.220 155 G HA3 -0.066 3.894 3.960 0.000 0.000 0.220 155 G C 1.561 176.454 174.900 -0.012 0.000 1.125 155 G CA 0.538 45.641 45.100 0.005 0.000 0.755 155 G HN 0.749 nan 8.290 nan 0.000 0.565 156 A N -0.283 122.520 122.820 -0.028 0.000 2.259 156 A HA 0.502 4.822 4.320 0.000 0.000 0.208 156 A C 0.737 178.273 177.584 -0.080 0.000 1.201 156 A CA -0.090 51.921 52.037 -0.044 0.000 0.824 156 A CB 0.128 19.103 19.000 -0.042 0.000 0.838 156 A HN 0.140 nan 8.150 nan 0.000 0.485 157 V N 2.723 122.585 119.914 -0.088 0.000 2.427 157 V HA 0.254 4.374 4.120 0.000 0.000 0.268 157 V C -0.039 175.998 176.094 -0.094 0.000 1.046 157 V CA -0.075 62.134 62.300 -0.152 0.000 0.970 157 V CB 0.366 32.125 31.823 -0.106 0.000 1.001 157 V HN 0.732 nan 8.190 nan 0.000 0.476 158 D N 3.325 123.651 120.400 -0.122 0.000 2.723 158 D HA 0.232 4.872 4.640 0.000 0.000 0.247 158 D C 0.604 176.878 176.300 -0.043 0.000 1.134 158 D CA -0.640 53.328 54.000 -0.054 0.000 1.099 158 D CB 0.835 41.612 40.800 -0.039 0.000 1.287 158 D HN 0.246 nan 8.370 nan 0.000 0.634 159 Q N -1.256 118.541 119.800 -0.006 0.000 2.435 159 Q HA 0.145 4.485 4.340 0.000 0.000 0.207 159 Q C 1.144 177.147 176.000 0.005 0.000 0.956 159 Q CA 0.608 56.426 55.803 0.024 0.000 0.917 159 Q CB -0.049 28.706 28.738 0.027 0.000 0.997 159 Q HN 0.327 nan 8.270 nan 0.000 0.497 160 L N -0.446 120.755 121.223 -0.037 0.000 2.607 160 L HA 0.093 4.433 4.340 0.000 0.000 0.228 160 L C 0.494 177.282 176.870 -0.137 0.000 1.123 160 L CA 0.336 55.147 54.840 -0.048 0.000 0.890 160 L CB 0.427 42.477 42.059 -0.015 0.000 1.103 160 L HN -0.136 nan 8.230 nan 0.000 0.468 161 T N 0.086 114.484 114.554 -0.260 0.000 2.888 161 T HA 0.120 4.470 4.350 0.000 0.000 0.301 161 T C 1.256 175.661 174.700 -0.492 0.000 1.001 161 T CA 0.268 62.044 62.100 -0.539 0.000 1.147 161 T CB 1.011 69.307 68.868 -0.954 0.000 0.931 161 T HN 0.217 nan 8.240 nan 0.000 0.541 162 R N 1.243 121.490 120.500 -0.421 0.000 2.435 162 R HA 0.360 4.701 4.340 0.000 0.000 0.221 162 R C -0.641 175.592 176.300 -0.111 0.000 0.885 162 R CA -0.184 55.825 56.100 -0.151 0.000 1.018 162 R CB 0.539 30.723 30.300 -0.193 0.000 1.259 162 R HN 0.349 nan 8.270 nan 0.000 0.597 163 L N 0.781 121.817 121.223 -0.311 0.000 2.562 163 L HA 0.441 4.781 4.340 0.000 0.000 0.266 163 L C -1.747 174.979 176.870 -0.240 0.000 0.949 163 L CA -0.643 54.047 54.840 -0.250 0.000 0.879 163 L CB 2.285 44.059 42.059 -0.475 0.000 1.278 163 L HN -0.304 nan 8.230 nan 0.000 0.404 164 V N 5.200 125.089 119.914 -0.042 0.000 2.735 164 V HA 0.660 4.780 4.120 0.000 0.000 0.310 164 V C -0.810 175.358 176.094 0.123 0.000 1.061 164 V CA -0.635 61.673 62.300 0.014 0.000 0.913 164 V CB 2.033 33.887 31.823 0.052 0.000 1.005 164 V HN 0.715 nan 8.190 nan 0.000 0.428 165 L N 3.999 125.275 121.223 0.088 0.000 2.386 165 L HA 1.012 5.352 4.340 0.000 0.000 0.271 165 L C -0.855 176.083 176.870 0.113 0.000 0.993 165 L CA -0.385 54.511 54.840 0.093 0.000 0.819 165 L CB 1.982 44.059 42.059 0.030 0.000 1.294 165 L HN 0.314 nan 8.230 nan 0.000 0.414 166 V N 2.343 122.330 119.914 0.122 0.000 3.001 166 V HA 0.701 4.821 4.120 0.000 0.000 0.314 166 V C -1.020 175.117 176.094 0.072 0.000 1.099 166 V CA -0.450 61.922 62.300 0.120 0.000 0.989 166 V CB 2.358 34.300 31.823 0.199 0.000 1.040 166 V HN 0.994 nan 8.190 nan 0.000 0.434 167 N N 1.431 120.176 118.700 0.075 0.000 2.455 167 N HA 0.734 5.474 4.740 0.000 0.000 0.285 167 N C -1.248 174.310 175.510 0.081 0.000 1.080 167 N CA 0.059 53.139 53.050 0.050 0.000 0.932 167 N CB 2.005 40.481 38.487 -0.017 0.000 1.610 167 N HN 1.047 nan 8.380 nan 0.000 0.493 168 A N 2.307 125.201 122.820 0.124 0.000 2.486 168 A HA 0.840 5.160 4.320 0.000 0.000 0.300 168 A C -1.855 175.846 177.584 0.196 0.000 1.048 168 A CA -0.382 51.749 52.037 0.157 0.000 0.696 168 A CB 0.913 20.024 19.000 0.185 0.000 1.278 168 A HN 0.495 nan 8.150 nan 0.000 0.405 169 L N 1.298 122.667 121.223 0.243 0.000 2.445 169 L HA 0.586 4.926 4.340 0.000 0.000 0.262 169 L C -0.986 176.123 176.870 0.398 0.000 0.974 169 L CA -0.301 54.742 54.840 0.337 0.000 0.822 169 L CB 2.104 44.398 42.059 0.393 0.000 1.339 169 L HN 0.744 nan 8.230 nan 0.000 0.409 170 Y N 2.618 123.077 120.300 0.266 0.000 2.409 170 Y HA 0.769 5.319 4.550 0.000 0.000 0.343 170 Y C -1.742 174.295 175.900 0.229 0.000 0.973 170 Y CA -1.256 56.948 58.100 0.173 0.000 1.064 170 Y CB 1.779 40.293 38.460 0.090 0.000 1.207 170 Y HN 0.469 nan 8.280 nan 0.000 0.452 171 F N 6.467 125.820 119.950 -0.994 0.000 2.605 171 F HA 0.423 4.950 4.527 0.000 0.000 0.320 171 F C -1.826 173.397 175.800 -0.962 0.000 1.159 171 F CA -0.778 56.745 58.000 -0.795 0.000 0.999 171 F CB 1.471 40.005 39.000 -0.777 0.000 1.258 171 F HN 0.652 nan 8.300 nan 0.000 0.464 172 N N 4.154 122.009 118.700 -1.409 0.000 2.607 172 N HA 0.504 5.244 4.740 0.000 0.000 0.271 172 N C -0.770 173.990 175.510 -1.250 0.000 1.142 172 N CA -0.418 51.944 53.050 -1.148 0.000 0.810 172 N CB 1.193 39.355 38.487 -0.542 0.000 1.306 172 N HN 0.869 nan 8.380 nan 0.000 0.536 173 G N 1.266 109.085 108.800 -1.634 0.000 2.437 173 G HA2 0.300 4.260 3.960 0.000 0.000 0.319 173 G HA3 0.300 4.260 3.960 0.000 0.000 0.319 173 G C -0.678 173.892 174.900 -0.551 0.000 1.158 173 G CA -0.339 44.105 45.100 -1.093 0.000 0.899 173 G HN 0.547 nan 8.290 nan 0.000 0.502 174 Q N 0.297 119.961 119.800 -0.227 0.000 2.331 174 Q HA 0.210 4.551 4.340 0.000 0.000 0.257 174 Q C -0.758 175.357 176.000 0.191 0.000 0.957 174 Q CA -0.409 55.330 55.803 -0.106 0.000 0.923 174 Q CB 1.722 30.356 28.738 -0.174 0.000 1.212 174 Q HN 0.617 nan 8.270 nan 0.000 0.443 175 W N 2.090 123.551 121.300 0.269 0.000 2.124 175 W HA -0.026 4.634 4.660 0.000 0.000 0.356 175 W C 1.604 178.204 176.519 0.135 0.000 1.302 175 W CA -0.116 57.320 57.345 0.151 0.000 1.293 175 W CB 0.523 30.007 29.460 0.041 0.000 1.199 175 W HN 0.638 nan 8.180 nan 0.000 0.606 176 K N -0.398 120.211 120.400 0.348 0.000 2.167 176 K HA -0.027 4.293 4.320 0.000 0.000 0.203 176 K C 0.005 176.674 176.600 0.115 0.000 1.052 176 K CA 1.128 57.537 56.287 0.204 0.000 0.956 176 K CB 0.024 32.594 32.500 0.117 0.000 0.735 176 K HN 0.370 nan 8.250 nan 0.000 0.451 177 T N 3.358 117.950 114.554 0.063 0.000 3.038 177 T HA 0.308 4.658 4.350 0.000 0.000 0.344 177 T C -2.747 171.906 174.700 -0.078 0.000 1.054 177 T CA -1.419 60.655 62.100 -0.042 0.000 1.092 177 T CB 1.801 70.565 68.868 -0.173 0.000 1.031 177 T HN 0.002 nan 8.240 nan 0.000 0.482 178 P HA 0.139 nan 4.420 nan 0.000 0.266 178 P C -0.492 176.823 177.300 0.024 0.000 1.193 178 P CA -0.190 62.999 63.100 0.148 0.000 0.770 178 P CB 0.288 32.081 31.700 0.155 0.000 0.836 179 F N 3.225 123.176 119.950 0.001 0.000 2.399 179 F HA 0.284 4.811 4.527 0.000 0.000 0.342 179 F C -1.388 174.420 175.800 0.014 0.000 1.106 179 F CA -2.133 55.846 58.000 -0.034 0.000 1.196 179 F CB -0.307 38.653 39.000 -0.068 0.000 1.163 179 F HN 0.209 nan 8.300 nan 0.000 0.547 180 P HA 0.105 nan 4.420 nan 0.000 0.276 180 P C -0.433 176.936 177.300 0.115 0.000 1.230 180 P CA -0.071 63.096 63.100 0.112 0.000 0.776 180 P CB 1.139 32.880 31.700 0.070 0.000 0.888 181 D N 1.584 122.036 120.400 0.087 0.000 2.088 181 D HA -0.186 4.454 4.640 0.000 0.000 0.191 181 D C 2.037 178.374 176.300 0.063 0.000 0.992 181 D CA 2.355 56.397 54.000 0.071 0.000 0.831 181 D CB -0.651 40.182 40.800 0.054 0.000 0.973 181 D HN 0.444 nan 8.370 nan 0.000 0.447 182 S N 0.120 115.850 115.700 0.049 0.000 2.484 182 S HA -0.217 4.253 4.470 0.000 0.000 0.250 182 S C 1.668 176.295 174.600 0.045 0.000 0.995 182 S CA 1.456 59.680 58.200 0.041 0.000 0.967 182 S CB -0.681 62.535 63.200 0.027 0.000 0.752 182 S HN 0.292 nan 8.310 nan 0.000 0.517 183 S N -0.464 115.271 115.700 0.059 0.000 2.556 183 S HA 0.170 4.640 4.470 0.000 0.000 0.216 183 S C 0.454 175.137 174.600 0.137 0.000 0.970 183 S CA -0.331 57.898 58.200 0.048 0.000 0.912 183 S CB -0.439 62.782 63.200 0.034 0.000 0.790 183 S HN 0.389 nan 8.310 nan 0.000 0.504 184 T N 4.941 119.581 114.554 0.144 0.000 2.769 184 T HA 0.284 4.634 4.350 0.000 0.000 0.293 184 T C -0.071 174.765 174.700 0.227 0.000 0.931 184 T CA -0.096 62.110 62.100 0.175 0.000 1.139 184 T CB -0.084 68.823 68.868 0.066 0.000 0.881 184 T HN 0.654 nan 8.240 nan 0.000 0.532 185 H N 1.692 120.768 119.070 0.011 0.000 2.941 185 H HA 0.570 5.126 4.556 0.000 0.000 0.344 185 H C -0.309 175.031 175.328 0.019 0.000 1.235 185 H CA -1.362 54.695 56.048 0.016 0.000 1.149 185 H CB 0.832 30.606 29.762 0.020 0.000 1.885 185 H HN 0.269 nan 8.280 nan 0.000 0.558 186 R N 0.694 121.160 120.500 -0.057 0.000 2.649 186 R HA 0.460 4.800 4.340 0.000 0.000 0.270 186 R C 0.153 176.337 176.300 -0.193 0.000 1.105 186 R CA -0.413 55.618 56.100 -0.115 0.000 1.193 186 R CB 0.789 31.077 30.300 -0.020 0.000 1.120 186 R HN 0.895 nan 8.270 nan 0.000 0.561 187 R N 0.205 120.632 120.500 -0.121 0.000 2.824 187 R HA 0.185 4.525 4.340 0.000 0.000 0.267 187 R C -1.447 174.857 176.300 0.007 0.000 1.035 187 R CA -0.589 55.475 56.100 -0.059 0.000 0.887 187 R CB 0.859 31.066 30.300 -0.155 0.000 1.262 187 R HN 0.458 nan 8.270 nan 0.000 0.487 188 L N 3.685 124.925 121.223 0.028 0.000 2.360 188 L HA 0.361 4.701 4.340 0.000 0.000 0.276 188 L C -0.277 176.621 176.870 0.048 0.000 1.121 188 L CA -0.137 54.692 54.840 -0.018 0.000 0.845 188 L CB 0.525 42.507 42.059 -0.129 0.000 1.143 188 L HN 0.479 nan 8.230 nan 0.000 0.452 189 F N 2.722 122.612 119.950 -0.100 0.000 2.427 189 F HA 0.354 4.881 4.527 0.000 0.000 0.346 189 F C -0.027 175.732 175.800 -0.069 0.000 1.120 189 F CA -0.641 57.365 58.000 0.011 0.000 1.033 189 F CB 0.738 39.757 39.000 0.032 0.000 1.126 189 F HN 0.385 nan 8.300 nan 0.000 0.462 190 H N 5.785 124.590 119.070 -0.442 0.000 2.761 190 H HA 0.292 4.848 4.556 0.000 0.000 0.284 190 H C 0.117 175.287 175.328 -0.264 0.000 1.105 190 H CA -0.571 55.327 56.048 -0.250 0.000 1.352 190 H CB 0.612 30.246 29.762 -0.215 0.000 1.423 190 H HN 0.542 nan 8.280 nan 0.000 0.464 191 K N 0.904 121.358 120.400 0.090 0.000 2.343 191 K HA 0.012 4.332 4.320 0.000 0.000 0.250 191 K C 1.186 177.827 176.600 0.067 0.000 1.087 191 K CA 0.571 56.954 56.287 0.161 0.000 0.853 191 K CB 0.295 32.893 32.500 0.162 0.000 1.133 191 K HN 0.642 nan 8.250 nan 0.000 0.509 192 S N -0.783 114.956 115.700 0.067 0.000 2.492 192 S HA -0.039 4.431 4.470 0.000 0.000 0.218 192 S C 1.224 175.838 174.600 0.023 0.000 1.016 192 S CA 0.309 58.527 58.200 0.029 0.000 0.916 192 S CB 0.095 63.310 63.200 0.024 0.000 0.791 192 S HN 0.396 nan 8.310 nan 0.000 0.513 193 D N 2.272 122.691 120.400 0.032 0.000 2.104 193 D HA 0.077 4.717 4.640 0.000 0.000 0.194 193 D C 1.732 178.045 176.300 0.022 0.000 0.994 193 D CA 2.193 56.207 54.000 0.024 0.000 0.830 193 D CB -0.495 40.323 40.800 0.030 0.000 0.959 193 D HN 0.656 nan 8.370 nan 0.000 0.452 194 G N -0.893 107.925 108.800 0.031 0.000 2.421 194 G HA2 -0.204 3.756 3.960 0.000 0.000 0.188 194 G HA3 -0.204 3.756 3.960 0.000 0.000 0.188 194 G C 0.505 175.425 174.900 0.033 0.000 1.001 194 G CA 0.541 45.662 45.100 0.035 0.000 0.693 194 G HN 0.532 nan 8.290 nan 0.000 0.479 195 S N -0.053 115.663 115.700 0.026 0.000 2.611 195 S HA 0.587 5.057 4.470 0.000 0.000 0.252 195 S C 0.211 174.809 174.600 -0.003 0.000 1.369 195 S CA 1.139 59.347 58.200 0.015 0.000 0.975 195 S CB 1.360 64.573 63.200 0.021 0.000 0.937 195 S HN 0.757 nan 8.310 nan 0.000 0.584 196 T N -0.515 114.026 114.554 -0.021 0.000 2.864 196 T HA 0.728 5.078 4.350 0.000 0.000 0.299 196 T C -1.277 173.414 174.700 -0.015 0.000 1.166 196 T CA -0.482 61.578 62.100 -0.067 0.000 1.007 196 T CB 1.662 70.446 68.868 -0.140 0.000 1.219 196 T HN 0.976 nan 8.240 nan 0.000 0.506 197 V N 0.907 120.821 119.914 0.001 0.000 3.147 197 V HA 0.771 4.891 4.120 0.000 0.000 0.299 197 V C -1.289 174.817 176.094 0.020 0.000 1.302 197 V CA -0.546 61.765 62.300 0.019 0.000 1.015 197 V CB 2.470 34.312 31.823 0.032 0.000 1.086 197 V HN 0.853 nan 8.190 nan 0.000 0.437 198 S N 4.128 119.829 115.700 0.002 0.000 2.420 198 S HA 0.773 5.243 4.470 0.000 0.000 0.313 198 S C -0.835 173.758 174.600 -0.013 0.000 1.079 198 S CA -0.111 58.087 58.200 -0.004 0.000 1.104 198 S CB 0.524 63.719 63.200 -0.009 0.000 0.969 198 S HN 1.665 nan 8.310 nan 0.000 0.471 199 V N 3.047 122.952 119.914 -0.016 0.000 2.789 199 V HA 0.727 4.847 4.120 0.000 0.000 0.311 199 V C -2.889 173.166 176.094 -0.064 0.000 1.073 199 V CA -2.945 59.333 62.300 -0.038 0.000 0.921 199 V CB 1.304 33.096 31.823 -0.052 0.000 1.009 199 V HN 0.588 nan 8.190 nan 0.000 0.426 200 P HA 0.152 nan 4.420 nan 0.000 0.257 200 P C -0.491 176.746 177.300 -0.106 0.000 1.189 200 P CA 0.856 63.907 63.100 -0.081 0.000 0.780 200 P CB 0.061 31.735 31.700 -0.043 0.000 0.772 201 M N 3.619 123.093 119.600 -0.209 0.000 2.472 201 M HA 0.458 4.938 4.480 0.000 0.000 0.331 201 M C 0.413 176.661 176.300 -0.086 0.000 1.170 201 M CA -0.678 54.526 55.300 -0.160 0.000 1.009 201 M CB 1.610 34.090 32.600 -0.199 0.000 1.672 201 M HN 0.166 nan 8.290 nan 0.000 0.453 202 M N 1.396 120.935 119.600 -0.103 0.000 2.528 202 M HA 0.811 5.291 4.480 0.000 0.000 0.318 202 M C -0.495 175.848 176.300 0.072 0.000 1.195 202 M CA -0.719 54.524 55.300 -0.096 0.000 1.000 202 M CB 1.858 34.148 32.600 -0.518 0.000 1.615 202 M HN 0.737 nan 8.290 nan 0.000 0.469 203 A N 1.835 124.786 122.820 0.219 0.000 2.486 203 A HA 0.746 5.066 4.320 0.000 0.000 0.300 203 A C -1.444 176.315 177.584 0.290 0.000 1.048 203 A CA -0.554 51.634 52.037 0.252 0.000 0.696 203 A CB 2.076 21.166 19.000 0.150 0.000 1.278 203 A HN 0.827 nan 8.150 nan 0.000 0.405 204 Q N 0.505 120.447 119.800 0.236 0.000 2.353 204 Q HA 0.624 4.964 4.340 0.000 0.000 0.275 204 Q C -1.190 174.895 176.000 0.141 0.000 1.029 204 Q CA -0.434 55.441 55.803 0.119 0.000 0.848 204 Q CB 2.003 30.691 28.738 -0.082 0.000 1.390 204 Q HN 0.974 nan 8.270 nan 0.000 0.401 205 T N 0.992 115.565 114.554 0.032 0.000 2.824 205 T HA 0.719 5.069 4.350 0.000 0.000 0.280 205 T C -0.492 174.106 174.700 -0.170 0.000 0.995 205 T CA -0.463 61.652 62.100 0.024 0.000 1.009 205 T CB 1.180 70.048 68.868 0.001 0.000 0.955 205 T HN 0.794 nan 8.240 nan 0.000 0.452 206 N N 0.939 119.442 118.700 -0.328 0.000 3.348 206 N HA 0.223 4.963 4.740 0.000 0.000 0.233 206 N C -1.697 173.417 175.510 -0.661 0.000 1.440 206 N CA -0.946 51.700 53.050 -0.673 0.000 0.887 206 N CB 1.303 39.085 38.487 -1.175 0.000 1.410 206 N HN 0.544 nan 8.380 nan 0.000 0.502 207 K N 1.806 121.909 120.400 -0.494 0.000 2.273 207 K HA 0.264 4.584 4.320 0.000 0.000 0.287 207 K C -1.315 175.104 176.600 -0.302 0.000 1.089 207 K CA 0.132 56.260 56.287 -0.264 0.000 0.909 207 K CB 0.187 32.592 32.500 -0.160 0.000 1.123 207 K HN 0.222 nan 8.250 nan 0.000 0.473 208 F N 1.448 121.370 119.950 -0.046 0.000 2.443 208 F HA 0.215 4.742 4.527 0.000 0.000 0.335 208 F C 0.937 176.758 175.800 0.035 0.000 1.104 208 F CA -0.857 57.125 58.000 -0.030 0.000 1.013 208 F CB 1.040 40.023 39.000 -0.030 0.000 1.136 208 F HN 0.406 nan 8.300 nan 0.000 0.470 209 N N 2.327 121.160 118.700 0.222 0.000 2.411 209 N HA 0.022 4.763 4.740 0.000 0.000 0.261 209 N C -1.480 174.188 175.510 0.263 0.000 1.248 209 N CA 0.373 53.538 53.050 0.193 0.000 0.885 209 N CB 0.420 38.987 38.487 0.134 0.000 1.062 209 N HN 0.551 nan 8.380 nan 0.000 0.471 210 Y N 1.839 122.207 120.300 0.113 0.000 2.544 210 Y HA 0.400 4.950 4.550 0.000 0.000 0.342 210 Y C -0.574 175.385 175.900 0.097 0.000 1.062 210 Y CA -0.484 57.670 58.100 0.089 0.000 1.023 210 Y CB 2.000 40.500 38.460 0.068 0.000 1.308 210 Y HN 0.388 nan 8.280 nan 0.000 0.457 211 T N 3.361 117.548 114.554 -0.611 0.000 2.731 211 T HA 0.436 4.786 4.350 0.000 0.000 0.300 211 T C -2.192 172.191 174.700 -0.528 0.000 1.283 211 T CA -0.644 61.271 62.100 -0.309 0.000 1.005 211 T CB 1.718 70.629 68.868 0.072 0.000 1.420 211 T HN 0.779 nan 8.240 nan 0.000 0.503 212 E N 1.051 121.152 120.200 -0.165 0.000 2.290 212 E HA 0.586 4.936 4.350 0.000 0.000 0.274 212 E C -1.811 174.753 176.600 -0.061 0.000 0.889 212 E CA -0.563 55.750 56.400 -0.145 0.000 0.760 212 E CB 1.128 30.803 29.700 -0.042 0.000 1.206 212 E HN 0.387 nan 8.360 nan 0.000 0.419 213 F N 0.774 120.398 119.950 -0.542 0.000 2.618 213 F HA 0.508 5.035 4.527 0.000 0.000 0.332 213 F C 0.166 175.729 175.800 -0.395 0.000 1.061 213 F CA -0.495 57.209 58.000 -0.493 0.000 0.974 213 F CB 2.291 40.875 39.000 -0.694 0.000 1.310 213 F HN 0.375 nan 8.300 nan 0.000 0.491 214 T N -2.074 112.487 114.554 0.012 0.000 2.829 214 T HA 0.561 4.912 4.350 0.000 0.000 0.280 214 T C -0.127 174.733 174.700 0.268 0.000 0.999 214 T CA -0.814 61.284 62.100 -0.004 0.000 0.983 214 T CB 1.185 69.904 68.868 -0.249 0.000 0.968 214 T HN 0.726 nan 8.240 nan 0.000 0.446 215 T N 0.372 115.119 114.554 0.322 0.000 2.766 215 T HA 0.293 4.643 4.350 0.000 0.000 0.295 215 T C -1.327 173.463 174.700 0.150 0.000 1.024 215 T CA -1.391 60.893 62.100 0.307 0.000 1.018 215 T CB -0.032 68.988 68.868 0.252 0.000 1.002 215 T HN 0.426 nan 8.240 nan 0.000 0.532 216 P HA -0.026 nan 4.420 nan 0.000 0.225 216 P C 0.477 177.793 177.300 0.027 0.000 1.148 216 P CA 1.003 64.146 63.100 0.072 0.000 0.779 216 P CB -0.081 31.663 31.700 0.073 0.000 0.780 217 D N -1.826 118.585 120.400 0.018 0.000 2.559 217 D HA 0.213 4.853 4.640 0.000 0.000 0.234 217 D C 1.114 177.304 176.300 -0.183 0.000 1.226 217 D CA -0.316 53.657 54.000 -0.045 0.000 0.830 217 D CB -0.611 40.188 40.800 -0.001 0.000 1.028 217 D HN 0.158 nan 8.370 nan 0.000 0.492 218 G N 0.886 109.575 108.800 -0.184 0.000 2.143 218 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 218 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 218 G C -0.151 174.501 174.900 -0.412 0.000 0.991 218 G CA -0.177 44.735 45.100 -0.313 0.000 0.689 218 G HN 0.557 nan 8.290 nan 0.000 0.522 219 H N -0.578 118.449 119.070 -0.072 0.000 2.489 219 H HA 0.464 5.020 4.556 0.000 0.000 0.322 219 H C -0.011 175.340 175.328 0.039 0.000 1.091 219 H CA -0.418 55.649 56.048 0.031 0.000 1.291 219 H CB 0.600 30.431 29.762 0.115 0.000 1.436 219 H HN 0.260 nan 8.280 nan 0.000 0.480 220 Y N 2.818 123.304 120.300 0.309 0.000 2.299 220 Y HA 0.172 4.722 4.550 0.000 0.000 0.326 220 Y C 0.126 176.231 175.900 0.342 0.000 1.164 220 Y CA -0.503 57.734 58.100 0.229 0.000 1.234 220 Y CB 0.552 39.068 38.460 0.093 0.000 1.219 220 Y HN 0.495 nan 8.280 nan 0.000 0.497 221 Y N -0.945 119.521 120.300 0.277 0.000 2.492 221 Y HA 0.627 5.177 4.550 0.000 0.000 0.346 221 Y C -1.507 174.432 175.900 0.064 0.000 0.997 221 Y CA -1.842 56.355 58.100 0.162 0.000 1.025 221 Y CB 1.219 39.730 38.460 0.086 0.000 1.263 221 Y HN 0.411 nan 8.280 nan 0.000 0.454 222 D N 3.472 123.937 120.400 0.109 0.000 2.168 222 D HA 0.506 5.146 4.640 0.000 0.000 0.246 222 D C -0.799 175.371 176.300 -0.216 0.000 1.050 222 D CA 0.000 53.939 54.000 -0.103 0.000 0.857 222 D CB 2.288 43.148 40.800 0.100 0.000 1.169 222 D HN 0.550 nan 8.370 nan 0.000 0.453 223 I N 1.819 122.112 120.570 -0.461 0.000 2.436 223 I HA 0.272 4.442 4.170 0.000 0.000 0.289 223 I C -0.649 175.322 176.117 -0.244 0.000 1.010 223 I CA -0.686 60.374 61.300 -0.399 0.000 1.098 223 I CB 1.873 39.457 38.000 -0.694 0.000 1.266 223 I HN 0.060 nan 8.210 nan 0.000 0.434 224 L N 5.480 126.675 121.223 -0.047 0.000 2.365 224 L HA 0.563 4.903 4.340 0.000 0.000 0.273 224 L C -0.677 176.187 176.870 -0.010 0.000 1.000 224 L CA -0.315 54.531 54.840 0.009 0.000 0.819 224 L CB 1.939 43.973 42.059 -0.041 0.000 1.284 224 L HN 0.754 nan 8.230 nan 0.000 0.418 225 E N 4.768 124.937 120.200 -0.052 0.000 2.145 225 E HA 0.397 4.747 4.350 0.000 0.000 0.270 225 E C -1.572 174.942 176.600 -0.144 0.000 0.906 225 E CA -0.598 55.628 56.400 -0.291 0.000 0.761 225 E CB 1.487 30.988 29.700 -0.333 0.000 1.116 225 E HN 0.559 nan 8.360 nan 0.000 0.408 226 L N 7.505 128.624 121.223 -0.174 0.000 2.294 226 L HA 0.423 4.763 4.340 0.000 0.000 0.283 226 L C -2.204 174.629 176.870 -0.061 0.000 1.015 226 L CA -2.014 52.759 54.840 -0.111 0.000 0.831 226 L CB 1.509 43.432 42.059 -0.227 0.000 1.217 226 L HN 0.399 nan 8.230 nan 0.000 0.420 227 P HA 0.189 nan 4.420 nan 0.000 0.278 227 P C -1.312 176.047 177.300 0.098 0.000 1.238 227 P CA -0.241 62.874 63.100 0.025 0.000 0.794 227 P CB 0.798 32.511 31.700 0.021 0.000 0.955 228 Y N -0.197 120.267 120.300 0.272 0.000 2.432 228 Y HA 0.229 4.779 4.550 0.000 0.000 0.322 228 Y C 1.473 177.508 175.900 0.225 0.000 1.246 228 Y CA -0.141 58.137 58.100 0.296 0.000 1.268 228 Y CB 0.091 38.712 38.460 0.267 0.000 1.276 228 Y HN 0.517 nan 8.280 nan 0.000 0.499 229 H N -0.395 118.861 119.070 0.310 0.000 3.195 229 H HA 0.228 4.784 4.556 0.000 0.000 0.302 229 H C 1.139 176.573 175.328 0.177 0.000 0.950 229 H CA 0.492 56.662 56.048 0.203 0.000 1.398 229 H CB -0.111 29.758 29.762 0.178 0.000 1.377 229 H HN 0.870 nan 8.280 nan 0.000 0.572 230 G N 2.679 111.446 108.800 -0.055 0.000 2.225 230 G HA2 -0.389 3.571 3.960 0.000 0.000 0.254 230 G HA3 -0.389 3.571 3.960 0.000 0.000 0.254 230 G C 0.476 175.308 174.900 -0.114 0.000 0.988 230 G CA 0.210 45.238 45.100 -0.121 0.000 0.625 230 G HN 0.958 nan 8.290 nan 0.000 0.527 231 D N -1.040 119.318 120.400 -0.070 0.000 3.041 231 D HA -0.166 4.474 4.640 0.000 0.000 0.220 231 D C 1.349 177.559 176.300 -0.149 0.000 1.157 231 D CA 1.704 55.667 54.000 -0.062 0.000 0.876 231 D CB -1.369 39.399 40.800 -0.053 0.000 1.107 231 D HN 0.581 nan 8.370 nan 0.000 0.422 232 T N -0.505 113.897 114.554 -0.254 0.000 2.809 232 T HA 0.070 4.420 4.350 0.000 0.000 0.260 232 T C 1.269 175.763 174.700 -0.343 0.000 1.039 232 T CA 0.692 62.508 62.100 -0.473 0.000 1.141 232 T CB 0.419 68.750 68.868 -0.895 0.000 0.869 232 T HN 0.186 nan 8.240 nan 0.000 0.437 233 L N 1.000 122.163 121.223 -0.098 0.000 2.319 233 L HA 0.692 5.032 4.340 0.000 0.000 0.267 233 L C -0.403 176.692 176.870 0.376 0.000 1.011 233 L CA -0.889 54.034 54.840 0.138 0.000 0.818 233 L CB 2.125 44.317 42.059 0.221 0.000 1.316 233 L HN 0.113 nan 8.230 nan 0.000 0.432 234 S N 0.857 116.801 115.700 0.407 0.000 2.570 234 S HA 0.675 5.145 4.470 0.000 0.000 0.270 234 S C -0.912 173.921 174.600 0.389 0.000 1.149 234 S CA -0.888 57.503 58.200 0.319 0.000 0.837 234 S CB 2.033 65.228 63.200 -0.010 0.000 1.124 234 S HN 0.676 nan 8.310 nan 0.000 0.465 235 M N 1.959 121.731 119.600 0.286 0.000 2.268 235 M HA 0.640 5.120 4.480 0.000 0.000 0.344 235 M C -2.139 174.264 176.300 0.172 0.000 1.106 235 M CA -0.606 54.967 55.300 0.454 0.000 1.010 235 M CB 0.572 33.558 32.600 0.642 0.000 1.649 235 M HN 0.680 nan 8.290 nan 0.000 0.443 236 F N 5.262 125.449 119.950 0.394 0.000 2.420 236 F HA 0.492 5.019 4.527 0.000 0.000 0.342 236 F C -0.121 175.867 175.800 0.314 0.000 1.113 236 F CA -0.646 57.543 58.000 0.315 0.000 1.059 236 F CB 1.129 40.356 39.000 0.379 0.000 1.128 236 F HN 0.352 nan 8.300 nan 0.000 0.475 237 I N 3.529 124.284 120.570 0.309 0.000 2.339 237 I HA 0.547 4.717 4.170 0.000 0.000 0.290 237 I C -0.057 176.151 176.117 0.152 0.000 0.994 237 I CA -0.640 60.809 61.300 0.247 0.000 1.191 237 I CB 0.766 38.795 38.000 0.048 0.000 1.343 237 I HN 0.598 nan 8.210 nan 0.000 0.458 238 A N 5.375 128.313 122.820 0.198 0.000 2.386 238 A HA 0.989 5.309 4.320 0.000 0.000 0.311 238 A C -0.686 176.989 177.584 0.152 0.000 1.068 238 A CA -0.440 51.631 52.037 0.055 0.000 0.743 238 A CB 1.918 20.835 19.000 -0.139 0.000 1.258 238 A HN 0.905 nan 8.150 nan 0.000 0.429 239 A N 2.368 125.269 122.820 0.136 0.000 2.605 239 A HA 0.837 5.157 4.320 0.000 0.000 0.294 239 A C -3.335 174.357 177.584 0.181 0.000 1.062 239 A CA -1.313 50.817 52.037 0.154 0.000 0.682 239 A CB 1.030 20.130 19.000 0.166 0.000 1.278 239 A HN 0.504 nan 8.150 nan 0.000 0.410 240 P HA 0.178 nan 4.420 nan 0.000 0.271 240 P C 0.238 177.660 177.300 0.203 0.000 1.218 240 P CA 0.083 63.302 63.100 0.199 0.000 0.780 240 P CB 0.317 32.074 31.700 0.094 0.000 0.901 241 Y N 2.577 122.986 120.300 0.182 0.000 2.114 241 Y HA -0.156 4.394 4.550 0.000 0.000 0.284 241 Y C 0.506 176.455 175.900 0.082 0.000 1.143 241 Y CA 1.533 59.713 58.100 0.134 0.000 1.135 241 Y CB -0.267 38.285 38.460 0.153 0.000 0.980 241 Y HN 0.378 nan 8.280 nan 0.000 0.499 242 E N 1.448 121.685 120.200 0.061 0.000 2.194 242 E HA 0.043 4.393 4.350 0.000 0.000 0.284 242 E C 0.949 177.507 176.600 -0.069 0.000 1.035 242 E CA -0.361 56.015 56.400 -0.040 0.000 0.836 242 E CB 1.042 30.815 29.700 0.121 0.000 1.070 242 E HN 0.160 nan 8.360 nan 0.000 0.401 243 K N 2.683 123.003 120.400 -0.134 0.000 2.173 243 K HA -0.244 4.076 4.320 0.000 0.000 0.207 243 K C 1.113 177.662 176.600 -0.085 0.000 1.046 243 K CA 1.630 57.838 56.287 -0.132 0.000 0.929 243 K CB 0.071 32.464 32.500 -0.177 0.000 0.720 243 K HN 0.477 nan 8.250 nan 0.000 0.453 244 E N 0.246 120.412 120.200 -0.056 0.000 2.208 244 E HA -0.054 4.296 4.350 0.000 0.000 0.193 244 E C 0.540 177.108 176.600 -0.054 0.000 0.988 244 E CA 0.176 56.553 56.400 -0.039 0.000 0.828 244 E CB -0.025 29.668 29.700 -0.011 0.000 0.763 244 E HN -0.088 nan 8.360 nan 0.000 0.478 245 V N 4.317 124.189 119.914 -0.070 0.000 2.529 245 V HA 0.074 4.194 4.120 0.000 0.000 0.292 245 V C -1.886 174.149 176.094 -0.098 0.000 1.028 245 V CA -1.296 60.920 62.300 -0.140 0.000 1.074 245 V CB 0.214 31.921 31.823 -0.192 0.000 0.958 245 V HN 0.130 nan 8.190 nan 0.000 0.481 246 P HA 0.130 nan 4.420 nan 0.000 0.277 246 P C 0.676 177.941 177.300 -0.058 0.000 1.240 246 P CA -0.535 62.527 63.100 -0.063 0.000 0.798 246 P CB 1.186 32.852 31.700 -0.056 0.000 0.979 247 L N 2.942 124.145 121.223 -0.033 0.000 2.127 247 L HA -0.210 4.130 4.340 0.000 0.000 0.211 247 L C 2.297 179.146 176.870 -0.035 0.000 1.089 247 L CA 2.338 57.164 54.840 -0.022 0.000 0.757 247 L CB -1.471 40.587 42.059 -0.002 0.000 0.899 247 L HN 0.438 nan 8.230 nan 0.000 0.434 248 S N -1.162 114.512 115.700 -0.043 0.000 2.469 248 S HA -0.134 4.336 4.470 0.000 0.000 0.238 248 S C 2.089 176.660 174.600 -0.048 0.000 0.998 248 S CA 0.737 58.908 58.200 -0.048 0.000 0.957 248 S CB -0.826 62.343 63.200 -0.053 0.000 0.764 248 S HN 0.492 nan 8.310 nan 0.000 0.514 249 A N 1.399 124.184 122.820 -0.060 0.000 1.972 249 A HA 0.123 4.443 4.320 0.000 0.000 0.219 249 A C 2.066 179.613 177.584 -0.063 0.000 1.169 249 A CA 1.194 53.200 52.037 -0.052 0.000 0.635 249 A CB -0.499 18.441 19.000 -0.100 0.000 0.810 249 A HN 0.450 nan 8.150 nan 0.000 0.446 250 L N -1.297 119.862 121.223 -0.107 0.000 2.084 250 L HA -0.002 4.338 4.340 0.000 0.000 0.202 250 L C 2.616 179.447 176.870 -0.064 0.000 1.074 250 L CA 2.171 56.902 54.840 -0.182 0.000 0.757 250 L CB -1.386 40.522 42.059 -0.252 0.000 0.918 250 L HN 0.256 nan 8.230 nan 0.000 0.444 251 T N 0.424 114.968 114.554 -0.017 0.000 2.721 251 T HA -0.192 4.158 4.350 0.000 0.000 0.268 251 T C 1.542 176.239 174.700 -0.005 0.000 1.038 251 T CA 1.655 63.771 62.100 0.027 0.000 1.145 251 T CB -0.275 68.595 68.868 0.002 0.000 0.858 251 T HN 0.302 nan 8.240 nan 0.000 0.459 252 N N 1.088 119.772 118.700 -0.027 0.000 2.463 252 N HA 0.069 4.809 4.740 0.000 0.000 0.181 252 N C 1.615 177.117 175.510 -0.013 0.000 1.078 252 N CA 0.574 53.606 53.050 -0.030 0.000 0.902 252 N CB -0.054 38.416 38.487 -0.029 0.000 0.970 252 N HN 0.638 nan 8.380 nan 0.000 0.451 253 I N -3.037 117.531 120.570 -0.004 0.000 4.057 253 I HA 0.224 4.394 4.170 0.000 0.000 0.334 253 I C 0.384 176.499 176.117 -0.002 0.000 1.308 253 I CA -0.232 61.075 61.300 0.011 0.000 1.125 253 I CB 0.141 38.166 38.000 0.042 0.000 1.034 253 I HN -0.212 nan 8.210 nan 0.000 0.401 254 L N 2.406 123.624 121.223 -0.009 0.000 2.516 254 L HA 0.168 4.508 4.340 0.000 0.000 0.288 254 L C 0.541 177.361 176.870 -0.082 0.000 1.246 254 L CA 0.777 55.589 54.840 -0.047 0.000 0.844 254 L CB 0.472 42.534 42.059 0.006 0.000 1.106 254 L HN 0.675 nan 8.230 nan 0.000 0.509 255 S N 0.420 116.019 115.700 -0.169 0.000 2.595 255 S HA 0.497 4.967 4.470 0.000 0.000 0.270 255 S C 0.062 174.530 174.600 -0.220 0.000 1.145 255 S CA -0.251 57.860 58.200 -0.149 0.000 0.825 255 S CB 1.247 64.378 63.200 -0.115 0.000 1.107 255 S HN 0.645 nan 8.310 nan 0.000 0.461 256 A N 0.880 123.604 122.820 -0.161 0.000 1.930 256 A HA -0.016 4.304 4.320 0.000 0.000 0.217 256 A C 2.134 179.667 177.584 -0.085 0.000 1.175 256 A CA 2.030 53.971 52.037 -0.159 0.000 0.627 256 A CB -1.229 17.625 19.000 -0.243 0.000 0.815 256 A HN 1.004 nan 8.150 nan 0.000 0.443 257 Q N -0.137 119.649 119.800 -0.022 0.000 2.084 257 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 257 Q C 1.911 177.730 176.000 -0.303 0.000 0.978 257 Q CA 1.633 57.398 55.803 -0.063 0.000 0.844 257 Q CB -0.439 28.258 28.738 -0.067 0.000 0.898 257 Q HN 0.573 nan 8.270 nan 0.000 0.426 258 L N 0.139 121.122 121.223 -0.401 0.000 2.043 258 L HA -0.199 4.141 4.340 0.000 0.000 0.212 258 L C 2.192 178.495 176.870 -0.945 0.000 1.075 258 L CA 1.548 56.038 54.840 -0.584 0.000 0.752 258 L CB -0.287 41.448 42.059 -0.541 0.000 0.891 258 L HN 0.452 nan 8.230 nan 0.000 0.432 259 I N -1.301 118.723 120.570 -0.910 0.000 2.394 259 I HA -0.261 3.909 4.170 0.000 0.000 0.251 259 I C 2.494 178.295 176.117 -0.526 0.000 1.136 259 I CA 0.940 61.652 61.300 -0.980 0.000 1.425 259 I CB -0.260 37.305 38.000 -0.724 0.000 1.079 259 I HN 0.160 nan 8.210 nan 0.000 0.425 260 S N -0.473 115.069 115.700 -0.265 0.000 2.402 260 S HA -0.166 4.304 4.470 0.000 0.000 0.229 260 S C 1.918 176.568 174.600 0.083 0.000 1.021 260 S CA 1.015 59.180 58.200 -0.058 0.000 0.974 260 S CB -0.291 62.916 63.200 0.012 0.000 0.800 260 S HN 0.439 nan 8.310 nan 0.000 0.484 261 H N 0.239 119.251 119.070 -0.096 0.000 2.321 261 H HA -0.042 4.514 4.556 0.000 0.000 0.300 261 H C 1.767 177.243 175.328 0.247 0.000 1.087 261 H CA 1.290 57.395 56.048 0.094 0.000 1.319 261 H CB -0.383 29.476 29.762 0.162 0.000 1.379 261 H HN 0.411 nan 8.280 nan 0.000 0.501 262 W N 1.384 122.671 121.300 -0.021 0.000 2.317 262 W HA -0.177 4.483 4.660 0.000 0.000 0.318 262 W C 2.544 179.126 176.519 0.104 0.000 1.227 262 W CA 1.298 58.566 57.345 -0.129 0.000 1.269 262 W CB -1.197 28.064 29.460 -0.331 0.000 1.155 262 W HN 0.154 nan 8.180 nan 0.000 0.484 263 K N 0.364 120.946 120.400 0.302 0.000 2.044 263 K HA -0.141 4.179 4.320 0.000 0.000 0.210 263 K C 2.205 178.952 176.600 0.245 0.000 1.049 263 K CA 2.246 58.731 56.287 0.330 0.000 0.927 263 K CB -1.284 31.362 32.500 0.244 0.000 0.713 263 K HN 0.086 nan 8.250 nan 0.000 0.443 264 G N -0.714 108.198 108.800 0.187 0.000 2.534 264 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 264 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 264 G C 0.943 175.914 174.900 0.119 0.000 1.128 264 G CA 0.549 45.721 45.100 0.120 0.000 0.784 264 G HN 0.363 nan 8.290 nan 0.000 0.542 265 N N -0.316 118.497 118.700 0.187 0.000 2.203 265 N HA 0.283 5.023 4.740 0.000 0.000 0.207 265 N C 0.474 176.084 175.510 0.165 0.000 1.130 265 N CA -0.095 53.047 53.050 0.154 0.000 0.861 265 N CB 0.286 38.884 38.487 0.185 0.000 1.005 265 N HN 0.264 nan 8.380 nan 0.000 0.507 266 M N -0.214 119.499 119.600 0.188 0.000 2.247 266 M HA 0.241 4.721 4.480 0.000 0.000 0.326 266 M C -0.134 176.251 176.300 0.142 0.000 1.134 266 M CA 0.422 55.829 55.300 0.177 0.000 1.136 266 M CB 1.044 33.772 32.600 0.214 0.000 1.454 266 M HN -0.140 nan 8.290 nan 0.000 0.467 267 T N 1.948 116.596 114.554 0.158 0.000 2.916 267 T HA 0.385 4.735 4.350 0.000 0.000 0.298 267 T C -0.766 174.018 174.700 0.139 0.000 1.031 267 T CA -0.833 61.343 62.100 0.127 0.000 0.993 267 T CB 1.274 70.207 68.868 0.108 0.000 1.045 267 T HN 0.543 nan 8.240 nan 0.000 0.454 268 R N 3.017 123.572 120.500 0.091 0.000 2.343 268 R HA 0.468 4.808 4.340 0.000 0.000 0.326 268 R C -0.789 175.542 176.300 0.053 0.000 1.055 268 R CA -0.161 55.982 56.100 0.073 0.000 0.961 268 R CB 0.073 30.387 30.300 0.023 0.000 0.978 268 R HN 0.392 nan 8.270 nan 0.000 0.443 269 L N 5.259 126.522 121.223 0.067 0.000 2.401 269 L HA 0.460 4.800 4.340 0.000 0.000 0.266 269 L C -2.209 174.668 176.870 0.012 0.000 0.991 269 L CA -2.486 52.365 54.840 0.018 0.000 0.818 269 L CB 2.581 44.632 42.059 -0.013 0.000 1.321 269 L HN 0.410 nan 8.230 nan 0.000 0.413 270 P HA 0.281 nan 4.420 nan 0.000 0.271 270 P C -1.056 176.250 177.300 0.010 0.000 1.220 270 P CA -0.281 62.805 63.100 -0.023 0.000 0.768 270 P CB 0.988 32.663 31.700 -0.042 0.000 0.848 271 R N 1.815 122.368 120.500 0.088 0.000 2.747 271 R HA 0.489 4.830 4.340 0.000 0.000 0.272 271 R C -1.251 175.151 176.300 0.170 0.000 1.032 271 R CA -0.978 55.179 56.100 0.094 0.000 0.896 271 R CB 1.209 31.556 30.300 0.078 0.000 1.253 271 R HN 0.411 nan 8.270 nan 0.000 0.461 272 L N 3.117 124.397 121.223 0.094 0.000 2.316 272 L HA 0.417 4.757 4.340 0.000 0.000 0.280 272 L C -1.122 175.777 176.870 0.048 0.000 1.006 272 L CA -0.507 54.390 54.840 0.095 0.000 0.836 272 L CB 1.118 43.202 42.059 0.041 0.000 1.221 272 L HN 0.426 nan 8.230 nan 0.000 0.418 273 L N 6.892 128.147 121.223 0.053 0.000 2.275 273 L HA 0.483 4.823 4.340 0.000 0.000 0.288 273 L C -1.192 175.694 176.870 0.027 0.000 1.046 273 L CA -0.253 54.526 54.840 -0.102 0.000 0.805 273 L CB 1.786 43.584 42.059 -0.435 0.000 1.193 273 L HN 0.419 nan 8.230 nan 0.000 0.426 274 V N 6.740 126.659 119.914 0.009 0.000 2.378 274 V HA 0.441 4.561 4.120 0.000 0.000 0.288 274 V C -0.361 175.728 176.094 -0.008 0.000 1.016 274 V CA -0.618 61.720 62.300 0.063 0.000 0.840 274 V CB 1.749 33.644 31.823 0.120 0.000 0.994 274 V HN 0.651 nan 8.190 nan 0.000 0.431 275 L N 8.308 129.507 121.223 -0.041 0.000 2.410 275 L HA 0.761 5.101 4.340 0.000 0.000 0.270 275 L C -2.753 174.066 176.870 -0.085 0.000 0.983 275 L CA -1.823 52.947 54.840 -0.118 0.000 0.822 275 L CB 2.741 44.696 42.059 -0.173 0.000 1.285 275 L HN 0.344 nan 8.230 nan 0.000 0.409 276 P HA 0.141 nan 4.420 nan 0.000 0.267 276 P C -1.165 176.238 177.300 0.173 0.000 1.205 276 P CA -0.112 63.056 63.100 0.114 0.000 0.765 276 P CB 0.453 32.296 31.700 0.239 0.000 0.828 277 K N 3.144 123.571 120.400 0.046 0.000 2.295 277 K HA 0.438 4.758 4.320 0.000 0.000 0.270 277 K C -0.151 176.551 176.600 0.171 0.000 1.011 277 K CA 0.223 56.508 56.287 -0.003 0.000 0.953 277 K CB 0.086 32.553 32.500 -0.054 0.000 0.956 277 K HN 0.464 nan 8.250 nan 0.000 0.477 278 F N -1.903 118.030 119.950 -0.028 0.000 2.693 278 F HA 0.458 4.985 4.527 0.000 0.000 0.309 278 F C -0.953 174.819 175.800 -0.046 0.000 1.129 278 F CA -1.013 56.969 58.000 -0.030 0.000 0.948 278 F CB 1.756 40.756 39.000 -0.001 0.000 1.315 278 F HN 0.237 nan 8.300 nan 0.000 0.447 279 S N 2.752 118.552 115.700 0.165 0.000 2.789 279 S HA 0.724 5.194 4.470 0.000 0.000 0.286 279 S C -1.351 173.331 174.600 0.137 0.000 1.153 279 S CA -0.486 57.752 58.200 0.063 0.000 1.084 279 S CB 0.456 63.673 63.200 0.028 0.000 1.036 279 S HN 0.681 nan 8.310 nan 0.000 0.484 280 L N 3.335 124.658 121.223 0.166 0.000 2.342 280 L HA 0.704 5.044 4.340 0.000 0.000 0.271 280 L C -0.166 176.793 176.870 0.148 0.000 1.008 280 L CA -0.659 54.291 54.840 0.183 0.000 0.818 280 L CB 2.081 44.310 42.059 0.283 0.000 1.296 280 L HN 0.571 nan 8.230 nan 0.000 0.427 281 E N 0.968 121.251 120.200 0.139 0.000 2.278 281 E HA 0.508 4.858 4.350 0.000 0.000 0.272 281 E C -1.772 174.906 176.600 0.129 0.000 0.890 281 E CA -0.379 56.099 56.400 0.131 0.000 0.770 281 E CB 2.285 32.046 29.700 0.102 0.000 1.212 281 E HN 0.569 nan 8.360 nan 0.000 0.415 282 T N 2.953 117.596 114.554 0.148 0.000 2.952 282 T HA 0.270 4.620 4.350 0.000 0.000 0.305 282 T C -1.256 173.526 174.700 0.137 0.000 1.064 282 T CA -0.755 61.431 62.100 0.142 0.000 1.008 282 T CB 1.597 70.582 68.868 0.194 0.000 1.078 282 T HN 0.495 nan 8.240 nan 0.000 0.459 283 E N 2.484 122.746 120.200 0.102 0.000 2.145 283 E HA 0.608 4.958 4.350 0.000 0.000 0.270 283 E C -1.323 175.337 176.600 0.101 0.000 0.906 283 E CA -0.654 55.801 56.400 0.091 0.000 0.761 283 E CB 1.057 30.785 29.700 0.048 0.000 1.116 283 E HN 0.324 nan 8.360 nan 0.000 0.408 284 V N 3.865 123.860 119.914 0.135 0.000 2.628 284 V HA 0.168 4.288 4.120 0.000 0.000 0.306 284 V C -0.339 175.819 176.094 0.106 0.000 1.045 284 V CA -0.858 61.526 62.300 0.141 0.000 0.905 284 V CB 1.832 33.813 31.823 0.263 0.000 0.997 284 V HN 0.735 nan 8.190 nan 0.000 0.436 285 D N 3.771 124.205 120.400 0.058 0.000 2.411 285 D HA 0.234 4.874 4.640 0.000 0.000 0.225 285 D C 0.911 177.226 176.300 0.024 0.000 1.156 285 D CA -0.096 53.919 54.000 0.025 0.000 0.874 285 D CB 1.229 42.017 40.800 -0.020 0.000 1.034 285 D HN 0.461 nan 8.370 nan 0.000 0.502 286 L N 3.450 124.719 121.223 0.077 0.000 2.456 286 L HA -0.043 4.297 4.340 0.000 0.000 0.224 286 L C 2.516 179.403 176.870 0.028 0.000 1.148 286 L CA 0.274 55.178 54.840 0.107 0.000 0.825 286 L CB -0.249 41.934 42.059 0.207 0.000 0.937 286 L HN 0.362 nan 8.230 nan 0.000 0.450 287 R N 0.817 121.207 120.500 -0.185 0.000 2.094 287 R HA -0.200 4.140 4.340 0.000 0.000 0.239 287 R C 2.309 178.380 176.300 -0.383 0.000 1.137 287 R CA 1.622 57.312 56.100 -0.684 0.000 0.943 287 R CB 0.015 29.803 30.300 -0.853 0.000 0.850 287 R HN 0.246 nan 8.270 nan 0.000 0.433 288 K N -0.457 119.805 120.400 -0.230 0.000 2.002 288 K HA -0.098 4.222 4.320 0.000 0.000 0.209 288 K C -0.560 175.985 176.600 -0.091 0.000 1.048 288 K CA 1.582 57.780 56.287 -0.148 0.000 0.930 288 K CB -1.313 31.114 32.500 -0.122 0.000 0.714 288 K HN 0.305 nan 8.250 nan 0.000 0.438 289 P HA -0.136 nan 4.420 nan 0.000 0.215 289 P C 1.694 178.990 177.300 -0.006 0.000 1.157 289 P CA 1.238 64.292 63.100 -0.077 0.000 0.874 289 P CB -0.086 31.546 31.700 -0.113 0.000 0.790 290 L N -0.592 120.678 121.223 0.078 0.000 2.056 290 L HA -0.169 4.171 4.340 0.000 0.000 0.207 290 L C 2.423 179.410 176.870 0.195 0.000 1.078 290 L CA 1.589 56.552 54.840 0.205 0.000 0.749 290 L CB -0.956 41.346 42.059 0.406 0.000 0.901 290 L HN 0.038 nan 8.230 nan 0.000 0.433 291 E N 0.373 120.660 120.200 0.145 0.000 2.077 291 E HA -0.215 4.135 4.350 0.000 0.000 0.193 291 E C 1.776 178.412 176.600 0.060 0.000 0.989 291 E CA 1.473 57.943 56.400 0.117 0.000 0.800 291 E CB -0.325 29.402 29.700 0.047 0.000 0.746 291 E HN 0.610 nan 8.360 nan 0.000 0.452 292 N N 0.696 119.407 118.700 0.018 0.000 2.348 292 N HA -0.120 4.620 4.740 0.000 0.000 0.185 292 N C 1.356 176.876 175.510 0.016 0.000 1.019 292 N CA 0.492 53.541 53.050 -0.002 0.000 0.880 292 N CB -0.022 38.443 38.487 -0.037 0.000 0.965 292 N HN 0.099 nan 8.380 nan 0.000 0.437 293 L N -0.341 120.910 121.223 0.045 0.000 2.611 293 L HA 0.208 4.548 4.340 0.000 0.000 0.229 293 L C 1.225 178.146 176.870 0.085 0.000 1.137 293 L CA -0.052 54.830 54.840 0.070 0.000 0.901 293 L CB 0.133 42.257 42.059 0.109 0.000 1.098 293 L HN 0.264 nan 8.230 nan 0.000 0.456 294 G N -0.178 108.665 108.800 0.072 0.000 2.179 294 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 294 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 294 G C 0.334 175.273 174.900 0.065 0.000 0.990 294 G CA -0.322 44.813 45.100 0.058 0.000 0.646 294 G HN 0.256 nan 8.290 nan 0.000 0.517 295 M N 2.898 122.561 119.600 0.106 0.000 3.347 295 M HA 0.289 4.769 4.480 0.000 0.000 0.260 295 M C 1.755 178.158 176.300 0.172 0.000 1.362 295 M CA 0.573 55.932 55.300 0.099 0.000 1.497 295 M CB 0.416 33.082 32.600 0.110 0.000 1.080 295 M HN 0.345 nan 8.290 nan 0.000 0.592 296 T N -3.701 110.931 114.554 0.130 0.000 2.976 296 T HA -0.001 4.349 4.350 0.000 0.000 0.257 296 T C 1.160 175.951 174.700 0.152 0.000 1.051 296 T CA 0.662 62.867 62.100 0.174 0.000 1.141 296 T CB 0.024 68.953 68.868 0.102 0.000 0.881 296 T HN 0.309 nan 8.240 nan 0.000 0.461 297 D N 2.561 122.998 120.400 0.062 0.000 2.149 297 D HA -0.091 4.549 4.640 0.000 0.000 0.198 297 D C 2.165 178.480 176.300 0.024 0.000 0.990 297 D CA 1.511 55.531 54.000 0.033 0.000 0.839 297 D CB -0.532 40.260 40.800 -0.014 0.000 0.948 297 D HN 0.661 nan 8.370 nan 0.000 0.460 298 M N -1.700 117.859 119.600 -0.069 0.000 2.346 298 M HA -0.066 4.414 4.480 0.000 0.000 0.263 298 M C 1.044 177.272 176.300 -0.121 0.000 1.064 298 M CA 1.381 56.629 55.300 -0.087 0.000 1.083 298 M CB -0.446 31.987 32.600 -0.279 0.000 1.399 298 M HN -0.143 nan 8.290 nan 0.000 0.435 299 F N 0.667 120.710 119.950 0.154 0.000 2.746 299 F HA 0.335 4.862 4.527 0.000 0.000 0.297 299 F C 0.725 176.558 175.800 0.056 0.000 1.113 299 F CA -0.211 57.870 58.000 0.135 0.000 1.367 299 F CB 0.098 39.147 39.000 0.082 0.000 1.111 299 F HN -0.019 nan 8.300 nan 0.000 0.590 300 R N 1.262 121.850 120.500 0.146 0.000 2.254 300 R HA 0.286 4.626 4.340 0.000 0.000 0.318 300 R C -2.558 173.631 176.300 -0.184 0.000 1.031 300 R CA -1.788 54.305 56.100 -0.011 0.000 0.905 300 R CB 0.317 30.641 30.300 0.040 0.000 1.050 300 R HN -0.159 nan 8.270 nan 0.000 0.456 301 P HA 0.029 nan 4.420 nan 0.000 0.268 301 P C -0.548 176.687 177.300 -0.109 0.000 1.205 301 P CA -0.021 62.730 63.100 -0.583 0.000 0.771 301 P CB 0.257 31.623 31.700 -0.557 0.000 0.858 302 F N -0.653 119.263 119.950 -0.058 0.000 2.935 302 F HA -0.278 4.249 4.527 0.000 0.000 0.317 302 F C 1.436 177.233 175.800 -0.005 0.000 0.699 302 F CA 1.177 59.169 58.000 -0.014 0.000 1.127 302 F CB -1.813 37.173 39.000 -0.023 0.000 1.491 302 F HN 0.410 nan 8.300 nan 0.000 0.337 303 Q N -0.326 119.535 119.800 0.102 0.000 2.532 303 Q HA 0.459 4.799 4.340 0.000 0.000 0.247 303 Q C 1.380 177.410 176.000 0.051 0.000 0.872 303 Q CA 0.693 56.540 55.803 0.073 0.000 0.963 303 Q CB 0.101 28.871 28.738 0.053 0.000 1.159 303 Q HN 0.341 nan 8.270 nan 0.000 0.598 304 A N 2.820 125.680 122.820 0.067 0.000 2.566 304 A HA 0.004 4.324 4.320 0.000 0.000 0.245 304 A C -0.205 177.434 177.584 0.090 0.000 1.056 304 A CA 0.306 52.408 52.037 0.108 0.000 0.757 304 A CB -0.061 19.115 19.000 0.294 0.000 0.979 304 A HN 0.064 nan 8.150 nan 0.000 0.508 305 D N 2.467 122.829 120.400 -0.062 0.000 2.472 305 D HA 0.412 5.052 4.640 0.000 0.000 0.234 305 D C -1.015 175.141 176.300 -0.239 0.000 1.088 305 D CA -0.197 53.755 54.000 -0.080 0.000 0.882 305 D CB 0.062 40.806 40.800 -0.092 0.000 1.037 305 D HN 0.330 nan 8.370 nan 0.000 0.520 306 F N 1.540 121.456 119.950 -0.057 0.000 2.850 306 F HA 0.072 4.599 4.527 0.000 0.000 0.306 306 F C 2.150 177.904 175.800 -0.076 0.000 1.162 306 F CA -0.236 57.718 58.000 -0.076 0.000 1.327 306 F CB 0.586 39.521 39.000 -0.108 0.000 0.953 306 F HN 0.260 nan 8.300 nan 0.000 0.507 307 T N -4.333 110.244 114.554 0.039 0.000 3.098 307 T HA -0.117 4.233 4.350 0.000 0.000 0.266 307 T C 1.806 176.527 174.700 0.034 0.000 1.145 307 T CA 1.318 63.435 62.100 0.029 0.000 1.092 307 T CB -0.223 68.656 68.868 0.018 0.000 0.908 307 T HN 0.148 nan 8.240 nan 0.000 0.526 308 S N 0.540 116.272 115.700 0.053 0.000 2.528 308 S HA 0.255 4.725 4.470 0.000 0.000 0.219 308 S C 1.473 176.131 174.600 0.097 0.000 0.985 308 S CA 0.036 58.317 58.200 0.136 0.000 0.914 308 S CB -0.046 63.283 63.200 0.216 0.000 0.776 308 S HN 0.414 nan 8.310 nan 0.000 0.526 309 L N 0.228 121.366 121.223 -0.141 0.000 2.316 309 L HA 0.445 4.785 4.340 0.000 0.000 0.207 309 L C 0.411 177.076 176.870 -0.341 0.000 1.070 309 L CA 0.816 55.282 54.840 -0.623 0.000 0.820 309 L CB 0.410 42.108 42.059 -0.602 0.000 0.992 309 L HN 0.177 nan 8.230 nan 0.000 0.466 310 S N -2.233 113.380 115.700 -0.145 0.000 2.595 310 S HA 0.273 4.743 4.470 0.000 0.000 0.270 310 S C -0.545 174.034 174.600 -0.034 0.000 1.145 310 S CA -0.405 57.740 58.200 -0.092 0.000 0.825 310 S CB 0.612 63.737 63.200 -0.124 0.000 1.107 310 S HN 0.207 nan 8.310 nan 0.000 0.461 311 D N 0.777 121.163 120.400 -0.022 0.000 2.327 311 D HA 0.070 4.710 4.640 0.000 0.000 0.205 311 D C 0.020 176.319 176.300 -0.002 0.000 0.989 311 D CA 0.458 54.456 54.000 -0.002 0.000 0.873 311 D CB 0.154 40.957 40.800 0.005 0.000 0.955 311 D HN 0.524 nan 8.370 nan 0.000 0.515 312 Q N 1.904 121.694 119.800 -0.016 0.000 2.275 312 Q HA -0.067 4.273 4.340 0.000 0.000 0.293 312 Q C 0.821 176.811 176.000 -0.017 0.000 1.129 312 Q CA 0.393 56.188 55.803 -0.014 0.000 0.971 312 Q CB 1.098 29.819 28.738 -0.028 0.000 1.098 312 Q HN 0.088 nan 8.270 nan 0.000 0.386 313 E N 3.458 123.664 120.200 0.011 0.000 2.103 313 E HA -0.169 4.181 4.350 0.000 0.000 0.229 313 E C -1.396 175.158 176.600 -0.078 0.000 1.061 313 E CA 1.477 57.892 56.400 0.025 0.000 0.916 313 E CB -1.207 28.564 29.700 0.117 0.000 0.806 313 E HN 0.603 nan 8.360 nan 0.000 0.489 314 P HA 0.085 nan 4.420 nan 0.000 0.269 314 P C -0.843 176.340 177.300 -0.195 0.000 1.263 314 P CA 0.695 63.556 63.100 -0.398 0.000 0.813 314 P CB 0.168 31.658 31.700 -0.351 0.000 0.868 315 L N 5.225 126.362 121.223 -0.143 0.000 2.541 315 L HA 0.414 4.754 4.340 0.000 0.000 0.266 315 L C -0.637 176.185 176.870 -0.081 0.000 0.966 315 L CA -0.455 54.302 54.840 -0.140 0.000 0.871 315 L CB 1.432 43.422 42.059 -0.115 0.000 1.232 315 L HN 0.665 nan 8.230 nan 0.000 0.408 316 H N 1.266 120.112 119.070 -0.373 0.000 2.981 316 H HA 0.490 5.046 4.556 0.000 0.000 0.327 316 H C -1.478 173.584 175.328 -0.444 0.000 1.342 316 H CA -0.950 54.877 56.048 -0.367 0.000 1.123 316 H CB 1.548 31.235 29.762 -0.125 0.000 1.851 316 H HN 0.028 nan 8.280 nan 0.000 0.531 317 V N 2.210 121.933 119.914 -0.318 0.000 2.387 317 V HA 0.277 4.397 4.120 0.000 0.000 0.260 317 V C 1.332 177.391 176.094 -0.058 0.000 1.054 317 V CA 0.648 62.782 62.300 -0.276 0.000 0.967 317 V CB -0.186 31.507 31.823 -0.217 0.000 1.036 317 V HN 1.018 nan 8.190 nan 0.000 0.481 318 A N 5.471 128.134 122.820 -0.261 0.000 1.968 318 A HA 0.159 4.479 4.320 0.000 0.000 0.217 318 A C 0.584 178.176 177.584 0.012 0.000 1.169 318 A CA 1.114 53.071 52.037 -0.132 0.000 0.638 318 A CB 0.042 18.860 19.000 -0.303 0.000 0.812 318 A HN 0.608 nan 8.150 nan 0.000 0.446 319 L N -2.322 118.907 121.223 0.009 0.000 2.482 319 L HA 0.686 5.026 4.340 0.000 0.000 0.263 319 L C -1.085 175.854 176.870 0.115 0.000 0.957 319 L CA -0.050 54.822 54.840 0.054 0.000 0.836 319 L CB 1.905 43.945 42.059 -0.033 0.000 1.324 319 L HN 0.184 nan 8.230 nan 0.000 0.406 320 A N 5.986 128.910 122.820 0.173 0.000 2.522 320 A HA 0.782 5.102 4.320 0.000 0.000 0.285 320 A C -1.607 176.058 177.584 0.136 0.000 1.198 320 A CA -0.321 51.828 52.037 0.186 0.000 0.742 320 A CB 0.451 19.646 19.000 0.326 0.000 1.176 320 A HN 0.613 nan 8.150 nan 0.000 0.444 321 L N 1.140 122.426 121.223 0.105 0.000 2.333 321 L HA 0.695 5.035 4.340 0.000 0.000 0.269 321 L C 0.001 176.929 176.870 0.095 0.000 1.010 321 L CA -0.617 54.280 54.840 0.094 0.000 0.818 321 L CB 2.221 44.322 42.059 0.071 0.000 1.306 321 L HN 0.807 nan 8.230 nan 0.000 0.430 322 Q N 2.359 122.219 119.800 0.099 0.000 2.356 322 Q HA 0.482 4.822 4.340 0.000 0.000 0.270 322 Q C -1.465 174.586 176.000 0.086 0.000 1.058 322 Q CA -0.836 55.007 55.803 0.066 0.000 0.802 322 Q CB 2.513 31.253 28.738 0.004 0.000 1.303 322 Q HN 0.508 nan 8.270 nan 0.000 0.444 323 K N 2.824 123.277 120.400 0.089 0.000 2.507 323 K HA 0.583 4.903 4.320 0.000 0.000 0.252 323 K C -1.930 174.755 176.600 0.141 0.000 0.943 323 K CA -0.557 55.797 56.287 0.112 0.000 0.808 323 K CB 1.905 34.465 32.500 0.100 0.000 1.142 323 K HN 0.428 nan 8.250 nan 0.000 0.426 324 V N 3.888 123.902 119.914 0.166 0.000 2.656 324 V HA 0.492 4.612 4.120 0.000 0.000 0.307 324 V C -0.934 175.281 176.094 0.201 0.000 1.051 324 V CA -0.852 61.579 62.300 0.217 0.000 0.893 324 V CB 1.956 33.942 31.823 0.272 0.000 0.999 324 V HN 0.756 nan 8.190 nan 0.000 0.426 325 K N 4.197 124.711 120.400 0.190 0.000 2.371 325 K HA 0.777 5.098 4.320 0.000 0.000 0.251 325 K C -1.798 174.766 176.600 -0.061 0.000 0.934 325 K CA -0.622 55.746 56.287 0.134 0.000 0.798 325 K CB 2.461 35.103 32.500 0.237 0.000 1.204 325 K HN 0.701 nan 8.250 nan 0.000 0.427 326 I N 2.423 122.932 120.570 -0.101 0.000 2.569 326 I HA 0.330 4.500 4.170 0.000 0.000 0.290 326 I C -1.281 174.667 176.117 -0.281 0.000 1.088 326 I CA -0.495 60.629 61.300 -0.293 0.000 1.047 326 I CB 1.841 39.715 38.000 -0.210 0.000 1.237 326 I HN 0.692 nan 8.210 nan 0.000 0.421 327 E N 6.448 126.391 120.200 -0.430 0.000 2.171 327 E HA 0.456 4.806 4.350 0.000 0.000 0.271 327 E C -1.400 174.916 176.600 -0.474 0.000 0.916 327 E CA -0.586 55.596 56.400 -0.363 0.000 0.774 327 E CB 2.830 32.373 29.700 -0.262 0.000 1.128 327 E HN 0.329 nan 8.360 nan 0.000 0.403 328 V N 4.700 124.286 119.914 -0.548 0.000 2.385 328 V HA 0.178 4.299 4.120 0.000 0.000 0.277 328 V C -0.290 175.621 176.094 -0.304 0.000 1.012 328 V CA -0.804 61.180 62.300 -0.527 0.000 0.832 328 V CB 0.849 32.057 31.823 -1.025 0.000 1.028 328 V HN 0.643 nan 8.190 nan 0.000 0.436 329 N N 2.303 120.947 118.700 -0.095 0.000 3.002 329 N HA 0.439 5.179 4.740 0.000 0.000 0.331 329 N C 0.649 176.263 175.510 0.174 0.000 1.384 329 N CA -0.854 52.181 53.050 -0.025 0.000 0.780 329 N CB 1.042 39.501 38.487 -0.046 0.000 1.492 329 N HN 0.130 nan 8.380 nan 0.000 0.608 330 E N -0.550 119.718 120.200 0.113 0.000 2.085 330 E HA -0.079 4.271 4.350 0.000 0.000 0.194 330 E C 0.837 177.714 176.600 0.461 0.000 0.994 330 E CA 1.897 58.443 56.400 0.243 0.000 0.801 330 E CB -0.071 29.714 29.700 0.141 0.000 0.743 330 E HN 0.528 nan 8.360 nan 0.000 0.453 331 S N -3.022 112.849 115.700 0.285 0.000 2.748 331 S HA 0.324 4.794 4.470 0.000 0.000 0.241 331 S C 1.218 175.878 174.600 0.100 0.000 1.064 331 S CA 0.491 58.832 58.200 0.236 0.000 0.892 331 S CB 0.882 64.149 63.200 0.112 0.000 0.810 331 S HN 0.391 nan 8.310 nan 0.000 0.555 332 G N 1.182 109.973 108.800 -0.015 0.000 2.148 332 G HA2 -0.137 3.823 3.960 0.000 0.000 0.203 332 G HA3 -0.137 3.823 3.960 0.000 0.000 0.203 332 G C 0.169 174.999 174.900 -0.118 0.000 0.993 332 G CA 0.362 45.369 45.100 -0.156 0.000 0.661 332 G HN 1.071 nan 8.290 nan 0.000 0.518 350 E N 1.966 122.144 120.200 -0.037 0.000 2.608 350 E HA 0.073 4.423 4.350 0.000 0.000 0.259 350 E C 0.059 176.632 176.600 -0.045 0.000 0.951 350 E CA 0.983 57.354 56.400 -0.048 0.000 0.945 350 E CB 0.477 30.128 29.700 -0.083 0.000 0.916 350 E HN 0.303 nan 8.360 nan 0.000 0.477 351 E N 1.729 121.908 120.200 -0.035 0.000 2.221 351 E HA 0.524 4.875 4.350 0.000 0.000 0.268 351 E C -0.374 176.203 176.600 -0.037 0.000 0.933 351 E CA -0.792 55.592 56.400 -0.027 0.000 0.809 351 E CB 1.450 31.144 29.700 -0.011 0.000 1.190 351 E HN 0.294 nan 8.360 nan 0.000 0.406 352 I N 2.917 123.461 120.570 -0.043 0.000 2.468 352 I HA 0.278 4.448 4.170 0.000 0.000 0.284 352 I C -1.135 174.960 176.117 -0.037 0.000 1.038 352 I CA -0.391 60.885 61.300 -0.040 0.000 1.083 352 I CB 1.163 39.128 38.000 -0.059 0.000 1.223 352 I HN 0.296 nan 8.210 nan 0.000 0.443 353 I N 7.189 127.746 120.570 -0.021 0.000 2.354 353 I HA 0.295 4.465 4.170 0.000 0.000 0.286 353 I C -0.187 175.919 176.117 -0.017 0.000 1.007 353 I CA -0.292 61.004 61.300 -0.007 0.000 1.167 353 I CB 1.125 39.132 38.000 0.010 0.000 1.320 353 I HN 0.330 nan 8.210 nan 0.000 0.458 354 I N 6.712 127.266 120.570 -0.027 0.000 2.243 354 I HA 0.127 4.298 4.170 0.000 0.000 0.297 354 I C 0.181 176.352 176.117 0.090 0.000 1.161 354 I CA -0.025 61.260 61.300 -0.025 0.000 1.298 354 I CB -0.545 37.329 38.000 -0.210 0.000 1.475 354 I HN 0.591 nan 8.210 nan 0.000 0.561 355 D N 5.467 125.883 120.400 0.028 0.000 2.788 355 D HA 0.288 4.929 4.640 0.000 0.000 0.289 355 D C 0.076 176.094 176.300 -0.469 0.000 1.340 355 D CA -0.551 53.434 54.000 -0.026 0.000 0.831 355 D CB 0.473 41.308 40.800 0.058 0.000 1.103 355 D HN 0.410 nan 8.370 nan 0.000 0.476 356 R N -2.516 117.706 120.500 -0.463 0.000 2.692 356 R HA 0.592 4.932 4.340 0.000 0.000 0.269 356 R C -3.237 173.021 176.300 -0.070 0.000 1.030 356 R CA -1.770 53.983 56.100 -0.578 0.000 0.882 356 R CB -0.930 29.200 30.300 -0.283 0.000 1.250 356 R HN -0.304 nan 8.270 nan 0.000 0.465 357 P HA -0.031 nan 4.420 nan 0.000 0.261 357 P C -1.046 176.376 177.300 0.204 0.000 1.165 357 P CA 0.437 63.655 63.100 0.198 0.000 0.759 357 P CB -0.025 31.730 31.700 0.091 0.000 0.772 358 F N 1.573 121.615 119.950 0.154 0.000 2.640 358 F HA 0.747 5.274 4.527 0.000 0.000 0.324 358 F C -1.291 174.590 175.800 0.134 0.000 1.077 358 F CA -1.765 56.310 58.000 0.124 0.000 0.965 358 F CB 0.554 39.639 39.000 0.141 0.000 1.351 358 F HN -0.022 nan 8.300 nan 0.000 0.487 359 L N 2.206 123.631 121.223 0.337 0.000 2.331 359 L HA 0.691 5.032 4.340 0.000 0.000 0.275 359 L C -0.813 176.348 176.870 0.485 0.000 1.022 359 L CA -1.141 53.834 54.840 0.226 0.000 0.812 359 L CB 1.490 43.660 42.059 0.186 0.000 1.257 359 L HN 0.717 nan 8.230 nan 0.000 0.435 360 F N 1.911 122.054 119.950 0.323 0.000 2.576 360 F HA 0.892 5.419 4.527 0.000 0.000 0.313 360 F C -1.197 174.815 175.800 0.354 0.000 1.078 360 F CA -1.209 57.050 58.000 0.431 0.000 0.921 360 F CB 1.378 40.712 39.000 0.556 0.000 1.232 360 F HN 0.072 nan 8.300 nan 0.000 0.459 361 V N 2.916 123.216 119.914 0.644 0.000 2.686 361 V HA 0.543 4.663 4.120 0.000 0.000 0.306 361 V C -1.084 175.396 176.094 0.643 0.000 1.065 361 V CA -0.837 61.746 62.300 0.472 0.000 0.894 361 V CB 1.981 34.020 31.823 0.361 0.000 1.004 361 V HN 0.817 nan 8.190 nan 0.000 0.424 362 V N 5.342 125.581 119.914 0.542 0.000 2.357 362 V HA 0.593 4.713 4.120 0.000 0.000 0.284 362 V C 0.046 176.336 176.094 0.326 0.000 1.018 362 V CA -0.521 62.077 62.300 0.497 0.000 0.841 362 V CB 1.567 33.651 31.823 0.435 0.000 0.991 362 V HN 0.905 nan 8.190 nan 0.000 0.437 363 R N 3.421 124.148 120.500 0.379 0.000 2.740 363 R HA 0.451 4.791 4.340 0.000 0.000 0.282 363 R C -0.578 175.845 176.300 0.204 0.000 0.969 363 R CA -0.719 55.538 56.100 0.261 0.000 0.918 363 R CB 1.411 31.915 30.300 0.340 0.000 1.175 363 R HN 0.856 nan 8.270 nan 0.000 0.464 364 H N 4.749 123.828 119.070 0.014 0.000 2.761 364 H HA 0.114 4.671 4.556 0.000 0.000 0.284 364 H C -0.122 175.189 175.328 -0.029 0.000 1.105 364 H CA -0.309 55.700 56.048 -0.066 0.000 1.352 364 H CB 0.921 30.601 29.762 -0.136 0.000 1.423 364 H HN 0.670 nan 8.280 nan 0.000 0.464 365 N N 5.487 124.019 118.700 -0.279 0.000 2.120 365 N HA -0.110 4.630 4.740 0.000 0.000 0.188 365 N C -1.041 174.319 175.510 -0.250 0.000 1.024 365 N CA 0.843 53.786 53.050 -0.177 0.000 0.852 365 N CB -1.057 37.376 38.487 -0.091 0.000 1.003 365 N HN 0.587 nan 8.380 nan 0.000 0.424 366 P HA -0.100 nan 4.420 nan 0.000 0.216 366 P C 1.396 178.648 177.300 -0.081 0.000 1.150 366 P CA 1.833 64.770 63.100 -0.271 0.000 0.843 366 P CB -0.148 31.343 31.700 -0.348 0.000 0.787 367 T N -6.887 107.689 114.554 0.037 0.000 3.010 367 T HA 0.384 4.734 4.350 0.000 0.000 0.257 367 T C 1.349 176.106 174.700 0.095 0.000 1.020 367 T CA 0.390 62.561 62.100 0.119 0.000 0.938 367 T CB -0.489 68.501 68.868 0.203 0.000 1.049 367 T HN 0.214 nan 8.240 nan 0.000 0.522 368 G N 1.708 110.551 108.800 0.073 0.000 2.221 368 G HA2 -0.224 3.736 3.960 0.000 0.000 0.265 368 G HA3 -0.224 3.736 3.960 0.000 0.000 0.265 368 G C 0.006 174.959 174.900 0.088 0.000 1.041 368 G CA 0.239 45.381 45.100 0.071 0.000 0.807 368 G HN 0.709 nan 8.290 nan 0.000 0.502 369 T N -0.116 114.495 114.554 0.095 0.000 2.889 369 T HA 0.476 4.826 4.350 0.000 0.000 0.291 369 T C 0.601 175.319 174.700 0.030 0.000 0.995 369 T CA -0.337 61.792 62.100 0.048 0.000 1.092 369 T CB 2.285 71.125 68.868 -0.047 0.000 0.954 369 T HN 0.391 nan 8.240 nan 0.000 0.506 370 V N 5.509 125.433 119.914 0.017 0.000 2.334 370 V HA 0.180 4.300 4.120 0.000 0.000 0.267 370 V C 1.178 177.243 176.094 -0.049 0.000 1.040 370 V CA -0.129 62.172 62.300 0.002 0.000 0.866 370 V CB 0.251 32.065 31.823 -0.015 0.000 1.019 370 V HN 0.818 nan 8.190 nan 0.000 0.468 371 L N 4.158 125.300 121.223 -0.135 0.000 2.049 371 L HA 0.207 4.547 4.340 0.000 0.000 0.203 371 L C 0.210 176.640 176.870 -0.735 0.000 1.074 371 L CA 1.531 56.111 54.840 -0.434 0.000 0.749 371 L CB -0.080 41.643 42.059 -0.559 0.000 0.907 371 L HN 0.401 nan 8.230 nan 0.000 0.439 372 F N -1.022 118.941 119.950 0.023 0.000 2.577 372 F HA 0.610 5.137 4.527 0.000 0.000 0.318 372 F C -0.159 175.649 175.800 0.013 0.000 1.065 372 F CA -0.732 57.307 58.000 0.066 0.000 0.929 372 F CB 1.962 41.078 39.000 0.193 0.000 1.237 372 F HN -0.237 nan 8.300 nan 0.000 0.468 373 M N 1.836 121.446 119.600 0.017 0.000 2.322 373 M HA 0.782 5.262 4.480 0.000 0.000 0.285 373 M C -1.288 174.495 176.300 -0.861 0.000 1.119 373 M CA 0.047 55.075 55.300 -0.453 0.000 0.953 373 M CB 2.237 34.483 32.600 -0.590 0.000 1.701 373 M HN 0.771 nan 8.290 nan 0.000 0.479 374 G N 2.879 110.914 108.800 -1.275 0.000 2.600 374 G HA2 0.575 4.535 3.960 0.000 0.000 0.293 374 G HA3 0.575 4.535 3.960 0.000 0.000 0.293 374 G C -2.466 172.088 174.900 -0.575 0.000 1.408 374 G CA -0.753 43.770 45.100 -0.962 0.000 0.782 374 G HN 0.831 nan 8.290 nan 0.000 0.482 375 Q N -0.455 119.270 119.800 -0.125 0.000 2.321 375 Q HA 0.637 4.977 4.340 0.000 0.000 0.270 375 Q C -1.586 174.335 176.000 -0.132 0.000 1.032 375 Q CA -0.932 54.825 55.803 -0.075 0.000 0.784 375 Q CB 2.725 31.477 28.738 0.023 0.000 1.264 375 Q HN 0.290 nan 8.270 nan 0.000 0.448 376 V N 5.091 124.758 119.914 -0.412 0.000 2.288 376 V HA 0.098 4.218 4.120 0.000 0.000 0.266 376 V C 0.568 176.412 176.094 -0.417 0.000 1.048 376 V CA -0.395 61.550 62.300 -0.592 0.000 0.842 376 V CB 0.783 31.779 31.823 -1.379 0.000 1.064 376 V HN 0.923 nan 8.190 nan 0.000 0.472 377 M N 2.150 121.639 119.600 -0.185 0.000 2.476 377 M HA 0.247 4.727 4.480 0.000 0.000 0.262 377 M C 0.722 177.017 176.300 -0.008 0.000 1.111 377 M CA 0.743 56.029 55.300 -0.023 0.000 1.127 377 M CB -0.380 32.219 32.600 -0.002 0.000 1.376 377 M HN 0.682 nan 8.290 nan 0.000 0.465 378 E N 1.276 121.344 120.200 -0.219 0.000 2.349 378 E HA 0.322 4.672 4.350 0.000 0.000 0.290 378 E C -2.663 173.709 176.600 -0.381 0.000 0.901 378 E CA -1.243 54.945 56.400 -0.353 0.000 0.800 378 E CB 2.701 32.316 29.700 -0.140 0.000 1.303 378 E HN -0.055 nan 8.360 nan 0.000 0.397 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.906 63.100 -0.324 0.000 0.800 379 P CB 0.000 31.512 31.700 -0.313 0.000 0.726