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 2rgk_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKWFNTLSHN RWLEQETDRI FDFGKNSVVP TGFGWLGNKG QIKEEMGTHL DATA SEQUENCE WITARMLHVY SVAAAMGRPG AYSLVDHGIK AMNGALRDKK YGGWYACVND DATA SEQUENCE EGVVDASKQG YQHFFALLGA ASAVTTGHPE ARKLLDYTIE IIEKYFWSEE DATA SEQUENCE EQMCLESWDE AFSKTEEYRG GNANMHAVEA FLIVYDVTHD KKWLDRAIRV DATA SEQUENCE ASVIIHDVAR NNHYRVNEHF DTQWNPLPDY NKDNPAHRFR AFGGTPGHWI DATA SEQUENCE EWGRLMLHIH AALEARCEQP PAWLLEDAKG LFNATVRDAW APDGADGIVY DATA SEQUENCE TVDWEGKPVV RERVRWPIVE AMGTAYALYT VTGDRQYETW YQTWWEYCIK DATA SEQUENCE YLMDYENGSW WQELDADNKV TTXXXXGKQD IYHLLHCLVI PRIPLAPGMA DATA SEQUENCE PAVAAGLLDI NAK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.198 176.300 -0.170 0.000 1.140 1 M CA 0.000 55.222 55.300 -0.131 0.000 0.988 1 M CB 0.000 32.464 32.600 -0.226 0.000 1.302 2 K N 3.507 123.897 120.400 -0.016 0.000 2.235 2 K HA 0.424 4.744 4.320 -0.000 0.000 0.266 2 K C -0.790 175.948 176.600 0.229 0.000 0.980 2 K CA -0.486 55.815 56.287 0.023 0.000 0.849 2 K CB 1.707 34.250 32.500 0.072 0.000 1.098 2 K HN 0.611 nan 8.250 nan 0.000 0.445 3 W N 1.346 122.504 121.300 -0.236 0.000 3.298 3 W HA 0.212 4.872 4.660 -0.000 0.000 0.239 3 W C 0.131 176.582 176.519 -0.112 0.000 1.082 3 W CA -0.461 56.695 57.345 -0.316 0.000 1.711 3 W CB -0.272 28.770 29.460 -0.696 0.000 0.944 3 W HN 0.376 nan 8.180 nan 0.000 0.712 4 F N 2.745 122.756 119.950 0.102 0.000 2.629 4 F HA -0.044 4.483 4.527 -0.000 0.000 0.369 4 F C 1.327 177.225 175.800 0.164 0.000 1.125 4 F CA 0.479 58.526 58.000 0.078 0.000 1.330 4 F CB -0.800 38.080 39.000 -0.200 0.000 1.071 4 F HN 0.175 nan 8.300 nan 0.000 0.595 5 N N -1.367 117.596 118.700 0.439 0.000 2.708 5 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 5 N C -0.591 175.064 175.510 0.240 0.000 1.123 5 N CA 0.778 54.012 53.050 0.306 0.000 0.739 5 N CB -1.220 37.441 38.487 0.290 0.000 1.113 5 N HN 0.701 nan 8.380 nan 0.000 0.561 6 T N -2.414 112.292 114.554 0.253 0.000 2.779 6 T HA 0.528 4.878 4.350 -0.000 0.000 0.280 6 T C 1.119 175.920 174.700 0.168 0.000 0.987 6 T CA -0.967 61.246 62.100 0.188 0.000 0.966 6 T CB 1.728 70.702 68.868 0.177 0.000 0.933 6 T HN 0.101 nan 8.240 nan 0.000 0.442 7 L N 2.551 123.845 121.223 0.119 0.000 2.127 7 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 7 L C 3.038 179.950 176.870 0.070 0.000 1.089 7 L CA 1.620 56.513 54.840 0.089 0.000 0.757 7 L CB -0.628 41.471 42.059 0.067 0.000 0.899 7 L HN 0.927 nan 8.230 nan 0.000 0.434 8 S N -1.289 114.452 115.700 0.067 0.000 2.368 8 S HA -0.286 4.184 4.470 -0.000 0.000 0.225 8 S C 1.933 176.552 174.600 0.031 0.000 1.030 8 S CA 1.376 59.598 58.200 0.037 0.000 0.999 8 S CB -0.572 62.638 63.200 0.017 0.000 0.844 8 S HN 0.570 nan 8.310 nan 0.000 0.459 9 H N 2.352 121.386 119.070 -0.060 0.000 2.363 9 H HA 0.169 4.725 4.556 -0.000 0.000 0.301 9 H C 1.793 177.146 175.328 0.042 0.000 1.074 9 H CA 1.804 57.775 56.048 -0.127 0.000 1.354 9 H CB -0.546 29.124 29.762 -0.153 0.000 1.397 9 H HN 0.324 nan 8.280 nan 0.000 0.516 10 N N 0.335 119.026 118.700 -0.015 0.000 2.381 10 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 10 N C 1.759 177.241 175.510 -0.045 0.000 1.025 10 N CA 0.715 53.742 53.050 -0.038 0.000 0.888 10 N CB -0.167 38.362 38.487 0.070 0.000 0.965 10 N HN 0.406 nan 8.380 nan 0.000 0.438 11 R N -1.175 119.314 120.500 -0.019 0.000 2.115 11 R HA -0.069 4.271 4.340 -0.000 0.000 0.226 11 R C 1.821 178.082 176.300 -0.065 0.000 1.100 11 R CA 0.721 56.804 56.100 -0.027 0.000 0.980 11 R CB -0.208 30.090 30.300 -0.004 0.000 0.875 11 R HN 0.325 nan 8.270 nan 0.000 0.445 12 W N 1.221 122.380 121.300 -0.236 0.000 2.381 12 W HA -0.096 4.563 4.660 -0.000 0.000 0.301 12 W C 1.500 177.847 176.519 -0.287 0.000 1.205 12 W CA 1.118 58.295 57.345 -0.280 0.000 1.285 12 W CB -0.134 29.090 29.460 -0.394 0.000 1.133 12 W HN -0.050 nan 8.180 nan 0.000 0.521 13 L N 0.207 121.359 121.223 -0.119 0.000 2.046 13 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 13 L C 2.472 179.219 176.870 -0.205 0.000 1.077 13 L CA 1.971 56.736 54.840 -0.124 0.000 0.747 13 L CB -0.963 41.081 42.059 -0.026 0.000 0.896 13 L HN 0.076 nan 8.230 nan 0.000 0.432 14 E N 0.053 120.152 120.200 -0.168 0.000 2.072 14 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 14 E C 2.198 178.668 176.600 -0.217 0.000 0.985 14 E CA 1.097 57.408 56.400 -0.148 0.000 0.801 14 E CB 0.068 29.724 29.700 -0.074 0.000 0.750 14 E HN 0.478 nan 8.360 nan 0.000 0.452 15 Q N -0.003 119.626 119.800 -0.284 0.000 2.124 15 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 15 Q C 2.003 177.783 176.000 -0.366 0.000 0.977 15 Q CA 1.594 57.216 55.803 -0.302 0.000 0.850 15 Q CB -0.021 28.511 28.738 -0.343 0.000 0.901 15 Q HN 0.158 nan 8.270 nan 0.000 0.429 16 E N -0.030 119.841 120.200 -0.547 0.000 2.107 16 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 16 E C 1.695 178.116 176.600 -0.298 0.000 0.982 16 E CA 1.613 57.735 56.400 -0.463 0.000 0.809 16 E CB -0.178 29.129 29.700 -0.655 0.000 0.756 16 E HN 0.207 nan 8.360 nan 0.000 0.459 17 T N 1.116 115.467 114.554 -0.338 0.000 2.746 17 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 17 T C 1.186 175.477 174.700 -0.681 0.000 1.039 17 T CA 1.418 63.209 62.100 -0.515 0.000 1.142 17 T CB -0.350 68.223 68.868 -0.491 0.000 0.866 17 T HN 0.208 nan 8.240 nan 0.000 0.444 18 D N 0.682 120.869 120.400 -0.356 0.000 2.117 18 D HA -0.054 4.586 4.640 -0.000 0.000 0.198 18 D C 2.263 178.536 176.300 -0.045 0.000 0.982 18 D CA 0.787 54.717 54.000 -0.116 0.000 0.828 18 D CB -0.253 40.545 40.800 -0.003 0.000 0.967 18 D HN 0.292 nan 8.370 nan 0.000 0.464 19 R N 0.373 120.824 120.500 -0.082 0.000 2.120 19 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 19 R C 2.011 178.330 176.300 0.031 0.000 1.123 19 R CA 0.734 56.832 56.100 -0.003 0.000 0.975 19 R CB 0.035 30.323 30.300 -0.019 0.000 0.866 19 R HN 0.094 nan 8.270 nan 0.000 0.446 20 I N 0.049 120.569 120.570 -0.083 0.000 2.333 20 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 20 I C 1.855 178.036 176.117 0.106 0.000 1.106 20 I CA 1.045 62.309 61.300 -0.061 0.000 1.411 20 I CB -1.158 36.696 38.000 -0.243 0.000 1.082 20 I HN 0.062 nan 8.210 nan 0.000 0.420 21 F N 1.804 121.789 119.950 0.059 0.000 2.126 21 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 21 F C 2.442 178.372 175.800 0.217 0.000 1.096 21 F CA 0.982 59.060 58.000 0.130 0.000 1.255 21 F CB -1.222 37.860 39.000 0.137 0.000 0.997 21 F HN 0.168 nan 8.300 nan 0.000 0.479 22 D N -0.346 120.261 120.400 0.345 0.000 2.106 22 D HA -0.249 4.391 4.640 -0.000 0.000 0.191 22 D C 2.254 178.681 176.300 0.211 0.000 0.997 22 D CA 1.330 55.467 54.000 0.229 0.000 0.834 22 D CB -0.935 39.964 40.800 0.165 0.000 0.956 22 D HN 0.236 nan 8.370 nan 0.000 0.448 23 F N 1.598 121.607 119.950 0.098 0.000 2.120 23 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 23 F C 2.303 178.160 175.800 0.095 0.000 1.095 23 F CA 2.079 60.121 58.000 0.069 0.000 1.249 23 F CB -0.399 38.620 39.000 0.031 0.000 0.995 23 F HN -0.021 nan 8.300 nan 0.000 0.480 24 G N -0.482 108.484 108.800 0.277 0.000 2.534 24 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 24 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 24 G C 1.597 176.608 174.900 0.184 0.000 1.128 24 G CA 0.328 45.566 45.100 0.230 0.000 0.784 24 G HN 0.333 nan 8.290 nan 0.000 0.542 25 K N 0.302 120.781 120.400 0.132 0.000 2.281 25 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 25 K C 1.900 178.472 176.600 -0.047 0.000 1.046 25 K CA 1.084 57.367 56.287 -0.007 0.000 0.938 25 K CB -0.059 32.423 32.500 -0.030 0.000 0.737 25 K HN 0.177 nan 8.250 nan 0.000 0.458 26 N N 0.151 118.804 118.700 -0.078 0.000 2.409 26 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 26 N C 1.517 176.995 175.510 -0.052 0.000 1.032 26 N CA 1.027 54.017 53.050 -0.100 0.000 0.898 26 N CB 0.035 38.422 38.487 -0.167 0.000 0.971 26 N HN 0.155 nan 8.380 nan 0.000 0.441 27 S N -0.561 115.153 115.700 0.024 0.000 2.465 27 S HA -0.048 4.422 4.470 -0.000 0.000 0.241 27 S C 0.786 175.436 174.600 0.083 0.000 1.000 27 S CA 0.067 58.336 58.200 0.115 0.000 0.964 27 S CB -0.664 62.677 63.200 0.236 0.000 0.763 27 S HN -0.045 nan 8.310 nan 0.000 0.512 28 V N 3.192 123.079 119.914 -0.046 0.000 2.584 28 V HA 0.269 4.389 4.120 -0.000 0.000 0.303 28 V C 0.404 176.317 176.094 -0.301 0.000 1.035 28 V CA 0.267 62.329 62.300 -0.397 0.000 1.172 28 V CB -0.113 31.416 31.823 -0.489 0.000 0.896 28 V HN 0.533 nan 8.190 nan 0.000 0.486 29 V N 2.878 122.609 119.914 -0.304 0.000 3.114 29 V HA 0.518 4.638 4.120 -0.000 0.000 0.308 29 V C -2.213 173.864 176.094 -0.028 0.000 1.168 29 V CA -1.968 60.256 62.300 -0.126 0.000 1.015 29 V CB 1.628 33.419 31.823 -0.054 0.000 1.050 29 V HN 0.462 nan 8.190 nan 0.000 0.433 30 P HA -0.179 nan 4.420 nan 0.000 0.217 30 P C 1.424 178.726 177.300 0.004 0.000 1.158 30 P CA 2.927 66.043 63.100 0.025 0.000 0.887 30 P CB -0.052 31.643 31.700 -0.008 0.000 0.792 31 T N -5.541 109.000 114.554 -0.021 0.000 3.129 31 T HA 0.483 4.833 4.350 -0.000 0.000 0.251 31 T C 0.974 175.623 174.700 -0.084 0.000 1.117 31 T CA 0.405 62.476 62.100 -0.048 0.000 1.034 31 T CB 0.073 68.932 68.868 -0.015 0.000 0.968 31 T HN 0.313 nan 8.240 nan 0.000 0.526 32 G N 0.871 109.621 108.800 -0.083 0.000 2.451 32 G HA2 0.328 4.288 3.960 -0.000 0.000 0.083 32 G HA3 0.328 4.288 3.960 -0.000 0.000 0.083 32 G C -1.823 172.909 174.900 -0.279 0.000 1.107 32 G CA -1.022 43.990 45.100 -0.146 0.000 1.117 32 G HN 0.209 nan 8.290 nan 0.000 0.454 33 F N 2.088 122.070 119.950 0.054 0.000 2.482 33 F HA 0.669 5.196 4.527 -0.000 0.000 0.331 33 F C 1.049 176.841 175.800 -0.014 0.000 1.115 33 F CA 0.220 58.225 58.000 0.008 0.000 0.955 33 F CB 2.073 41.059 39.000 -0.023 0.000 1.136 33 F HN 0.694 nan 8.300 nan 0.000 0.452 34 G N 1.222 110.111 108.800 0.149 0.000 2.563 34 G HA2 0.063 4.023 3.960 -0.000 0.000 0.283 34 G HA3 0.063 4.023 3.960 -0.000 0.000 0.283 34 G C -1.585 173.417 174.900 0.169 0.000 1.309 34 G CA -0.417 44.769 45.100 0.143 0.000 1.022 34 G HN 0.678 nan 8.290 nan 0.000 0.501 35 W N 1.321 122.621 121.300 -0.000 0.000 2.283 35 W HA 0.505 5.165 4.660 -0.000 0.000 0.317 35 W C -0.877 175.659 176.519 0.028 0.000 1.042 35 W CA -1.022 56.315 57.345 -0.014 0.000 1.348 35 W CB 0.245 29.699 29.460 -0.010 0.000 1.216 35 W HN 0.168 nan 8.180 nan 0.000 0.404 36 L N 6.377 127.699 121.223 0.165 0.000 2.367 36 L HA 0.298 4.638 4.340 -0.000 0.000 0.275 36 L C 1.330 178.384 176.870 0.305 0.000 1.129 36 L CA -0.013 54.932 54.840 0.176 0.000 0.839 36 L CB 0.304 42.406 42.059 0.071 0.000 1.133 36 L HN 0.450 nan 8.230 nan 0.000 0.453 37 G N 1.428 110.398 108.800 0.283 0.000 2.510 37 G HA2 0.033 3.993 3.960 -0.000 0.000 0.280 37 G HA3 0.033 3.993 3.960 -0.000 0.000 0.280 37 G C 0.688 175.782 174.900 0.323 0.000 1.386 37 G CA -0.472 44.813 45.100 0.309 0.000 1.047 37 G HN 0.686 nan 8.290 nan 0.000 0.527 38 N N -0.606 118.273 118.700 0.299 0.000 2.520 38 N HA -0.043 4.697 4.740 -0.000 0.000 0.185 38 N C 1.252 176.913 175.510 0.250 0.000 1.068 38 N CA 0.729 53.964 53.050 0.307 0.000 0.911 38 N CB 0.276 38.994 38.487 0.385 0.000 0.961 38 N HN 0.416 nan 8.380 nan 0.000 0.446 39 K N -0.644 119.897 120.400 0.234 0.000 2.478 39 K HA 0.212 4.532 4.320 -0.000 0.000 0.205 39 K C 0.517 177.211 176.600 0.157 0.000 1.033 39 K CA 0.004 56.404 56.287 0.189 0.000 1.091 39 K CB 0.951 33.530 32.500 0.132 0.000 0.844 39 K HN 0.046 nan 8.250 nan 0.000 0.507 40 G N 2.389 111.289 108.800 0.166 0.000 2.143 40 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 40 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 40 G C -0.061 174.709 174.900 -0.216 0.000 0.991 40 G CA 0.485 45.379 45.100 -0.344 0.000 0.689 40 G HN 0.364 nan 8.290 nan 0.000 0.522 41 Q N 0.594 120.376 119.800 -0.031 0.000 2.214 41 Q HA 0.657 4.997 4.340 -0.000 0.000 0.251 41 Q C 0.250 176.271 176.000 0.035 0.000 0.936 41 Q CA -1.204 54.594 55.803 -0.008 0.000 0.894 41 Q CB 1.219 29.974 28.738 0.028 0.000 1.252 41 Q HN 0.463 nan 8.270 nan 0.000 0.448 42 I N 1.847 122.434 120.570 0.028 0.000 2.556 42 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 42 I C 0.444 176.615 176.117 0.090 0.000 1.114 42 I CA -0.032 61.310 61.300 0.071 0.000 1.418 42 I CB 0.415 38.440 38.000 0.043 0.000 1.394 42 I HN 0.373 nan 8.210 nan 0.000 0.552 43 K N 6.502 126.986 120.400 0.141 0.000 2.231 43 K HA 0.136 4.456 4.320 -0.000 0.000 0.255 43 K C 0.603 177.230 176.600 0.044 0.000 1.108 43 K CA -0.386 55.950 56.287 0.082 0.000 0.997 43 K CB 0.744 33.288 32.500 0.073 0.000 1.549 43 K HN 0.431 nan 8.250 nan 0.000 0.419 44 E N 1.713 121.931 120.200 0.031 0.000 2.267 44 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 44 E C 0.767 177.365 176.600 -0.005 0.000 0.998 44 E CA 1.365 57.777 56.400 0.019 0.000 0.830 44 E CB 0.250 29.956 29.700 0.010 0.000 0.751 44 E HN 0.539 nan 8.360 nan 0.000 0.491 45 E N 0.031 120.212 120.200 -0.032 0.000 2.338 45 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 45 E C 1.671 178.226 176.600 -0.074 0.000 1.007 45 E CA 0.636 57.005 56.400 -0.052 0.000 0.849 45 E CB -0.150 29.512 29.700 -0.064 0.000 0.774 45 E HN 0.173 nan 8.360 nan 0.000 0.506 46 M N 0.115 119.653 119.600 -0.103 0.000 2.506 46 M HA 0.204 4.684 4.480 -0.000 0.000 0.260 46 M C 1.226 177.598 176.300 0.121 0.000 1.104 46 M CA 0.979 56.213 55.300 -0.109 0.000 1.112 46 M CB -1.097 31.241 32.600 -0.437 0.000 1.401 46 M HN 0.196 nan 8.290 nan 0.000 0.473 47 G N 0.800 109.645 108.800 0.076 0.000 2.645 47 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 47 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 47 G C -0.344 174.640 174.900 0.140 0.000 1.322 47 G CA -0.096 45.043 45.100 0.065 0.000 0.898 47 G HN 0.325 nan 8.290 nan 0.000 0.573 48 T N 1.352 115.939 114.554 0.056 0.000 2.853 48 T HA 0.557 4.907 4.350 -0.000 0.000 0.317 48 T C -0.110 174.599 174.700 0.015 0.000 1.059 48 T CA -0.162 61.978 62.100 0.067 0.000 0.954 48 T CB 0.626 69.510 68.868 0.028 0.000 0.994 48 T HN 0.636 nan 8.240 nan 0.000 0.479 49 H N 1.782 120.822 119.070 -0.049 0.000 2.582 49 H HA 0.258 4.813 4.556 -0.000 0.000 0.345 49 H C 1.063 176.281 175.328 -0.183 0.000 1.104 49 H CA -0.933 55.045 56.048 -0.116 0.000 1.390 49 H CB 0.959 30.510 29.762 -0.352 0.000 1.461 49 H HN 0.328 nan 8.280 nan 0.000 0.551 50 L N 3.325 124.570 121.223 0.038 0.000 2.046 50 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 50 L C 1.947 178.765 176.870 -0.086 0.000 1.077 50 L CA 1.420 56.243 54.840 -0.028 0.000 0.747 50 L CB -0.616 41.450 42.059 0.011 0.000 0.896 50 L HN 0.817 nan 8.230 nan 0.000 0.432 51 W N -0.291 120.947 121.300 -0.104 0.000 2.358 51 W HA -0.149 4.511 4.660 -0.000 0.000 0.303 51 W C 2.107 178.412 176.519 -0.356 0.000 1.208 51 W CA 1.095 58.278 57.345 -0.269 0.000 1.274 51 W CB -1.389 27.942 29.460 -0.216 0.000 1.138 51 W HN 0.167 nan 8.180 nan 0.000 0.515 52 I N 1.588 121.645 120.570 -0.855 0.000 2.252 52 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 52 I C 2.567 178.466 176.117 -0.363 0.000 1.102 52 I CA 2.108 62.944 61.300 -0.773 0.000 1.385 52 I CB -0.987 36.462 38.000 -0.918 0.000 1.064 52 I HN -0.069 nan 8.210 nan 0.000 0.414 53 T N 0.935 115.374 114.554 -0.192 0.000 2.746 53 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 53 T C 2.063 176.717 174.700 -0.077 0.000 1.039 53 T CA 1.506 63.634 62.100 0.047 0.000 1.142 53 T CB -0.292 68.610 68.868 0.057 0.000 0.866 53 T HN 0.476 nan 8.240 nan 0.000 0.444 54 A N 1.711 124.415 122.820 -0.193 0.000 1.902 54 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 54 A C 2.388 179.842 177.584 -0.217 0.000 1.181 54 A CA 1.377 53.289 52.037 -0.209 0.000 0.623 54 A CB -0.473 18.401 19.000 -0.210 0.000 0.818 54 A HN 0.400 nan 8.150 nan 0.000 0.443 55 R N -1.302 118.986 120.500 -0.353 0.000 2.073 55 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 55 R C 2.202 178.354 176.300 -0.246 0.000 1.134 55 R CA 1.579 57.449 56.100 -0.385 0.000 0.952 55 R CB -0.369 29.585 30.300 -0.576 0.000 0.850 55 R HN 0.406 nan 8.270 nan 0.000 0.433 56 M N 0.441 119.803 119.600 -0.398 0.000 2.149 56 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 56 M C 2.279 178.348 176.300 -0.385 0.000 1.064 56 M CA 1.212 56.158 55.300 -0.590 0.000 1.102 56 M CB -0.961 30.774 32.600 -1.441 0.000 1.369 56 M HN 0.152 nan 8.290 nan 0.000 0.408 57 L N -0.208 120.871 121.223 -0.240 0.000 2.079 57 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 57 L C 2.514 179.364 176.870 -0.034 0.000 1.081 57 L CA 2.191 57.002 54.840 -0.048 0.000 0.752 57 L CB -1.048 41.000 42.059 -0.018 0.000 0.896 57 L HN 0.420 nan 8.230 nan 0.000 0.433 58 H N -1.439 117.557 119.070 -0.124 0.000 2.326 58 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 58 H C 2.044 177.319 175.328 -0.088 0.000 1.081 58 H CA 2.241 58.247 56.048 -0.069 0.000 1.334 58 H CB -0.425 29.320 29.762 -0.029 0.000 1.385 58 H HN 0.138 nan 8.280 nan 0.000 0.504 59 V N 0.243 119.980 119.914 -0.296 0.000 2.287 59 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 59 V C 1.930 177.686 176.094 -0.563 0.000 1.053 59 V CA 2.149 64.184 62.300 -0.441 0.000 1.027 59 V CB -0.807 30.720 31.823 -0.493 0.000 0.646 59 V HN 0.507 nan 8.190 nan 0.000 0.447 60 Y N 0.073 120.221 120.300 -0.254 0.000 2.616 60 Y HA -0.034 4.516 4.550 -0.000 0.000 0.296 60 Y C 2.617 178.384 175.900 -0.222 0.000 1.154 60 Y CA 0.829 58.753 58.100 -0.292 0.000 1.325 60 Y CB -0.497 37.831 38.460 -0.220 0.000 1.007 60 Y HN 0.166 nan 8.280 nan 0.000 0.542 61 S N -0.990 114.648 115.700 -0.104 0.000 2.414 61 S HA -0.091 4.379 4.470 -0.000 0.000 0.227 61 S C 2.157 176.705 174.600 -0.086 0.000 1.022 61 S CA 0.982 59.149 58.200 -0.056 0.000 0.958 61 S CB -0.297 62.869 63.200 -0.056 0.000 0.797 61 S HN 0.235 nan 8.310 nan 0.000 0.493 62 V N 1.934 121.742 119.914 -0.177 0.000 2.379 62 V HA -0.074 4.045 4.120 -0.000 0.000 0.245 62 V C 2.617 178.649 176.094 -0.103 0.000 1.044 62 V CA 1.505 63.738 62.300 -0.112 0.000 1.036 62 V CB -1.099 30.662 31.823 -0.104 0.000 0.664 62 V HN 0.504 nan 8.190 nan 0.000 0.453 63 A N 0.251 122.875 122.820 -0.327 0.000 1.902 63 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 63 A C 2.421 179.884 177.584 -0.201 0.000 1.181 63 A CA 2.053 53.744 52.037 -0.576 0.000 0.623 63 A CB -0.734 17.504 19.000 -1.270 0.000 0.818 63 A HN 0.551 nan 8.150 nan 0.000 0.443 64 A N -0.155 122.609 122.820 -0.093 0.000 1.902 64 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 64 A C 2.455 180.048 177.584 0.014 0.000 1.181 64 A CA 1.963 54.010 52.037 0.017 0.000 0.623 64 A CB -0.941 18.139 19.000 0.135 0.000 0.818 64 A HN 1.087 nan 8.150 nan 0.000 0.443 65 A N -0.885 121.941 122.820 0.009 0.000 2.067 65 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 65 A C 2.023 179.622 177.584 0.025 0.000 1.158 65 A CA 1.486 53.534 52.037 0.019 0.000 0.661 65 A CB -0.494 18.519 19.000 0.022 0.000 0.801 65 A HN 0.525 nan 8.150 nan 0.000 0.452 66 M N -1.078 118.541 119.600 0.031 0.000 2.561 66 M HA 0.170 4.650 4.480 -0.000 0.000 0.238 66 M C 1.177 177.506 176.300 0.047 0.000 1.131 66 M CA 0.711 56.048 55.300 0.061 0.000 1.046 66 M CB 0.209 32.886 32.600 0.128 0.000 1.532 66 M HN 0.581 nan 8.290 nan 0.000 0.497 67 G N 1.488 110.302 108.800 0.023 0.000 2.182 67 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 67 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 67 G C -0.345 174.567 174.900 0.020 0.000 1.042 67 G CA -0.207 44.902 45.100 0.015 0.000 0.775 67 G HN 0.335 nan 8.290 nan 0.000 0.501 68 R N 0.720 121.230 120.500 0.016 0.000 2.196 68 R HA 0.513 4.853 4.340 -0.000 0.000 0.340 68 R C -2.243 174.064 176.300 0.012 0.000 1.043 68 R CA -2.064 54.050 56.100 0.023 0.000 0.883 68 R CB 0.538 30.852 30.300 0.024 0.000 1.078 68 R HN 0.138 nan 8.270 nan 0.000 0.462 69 P HA 0.100 nan 4.420 nan 0.000 0.264 69 P C 0.636 177.942 177.300 0.010 0.000 1.193 69 P CA 0.783 63.891 63.100 0.014 0.000 0.763 69 P CB 0.941 32.647 31.700 0.009 0.000 0.810 70 G N 2.591 111.402 108.800 0.018 0.000 2.339 70 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.209 70 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.209 70 G C 1.246 176.122 174.900 -0.041 0.000 1.015 70 G CA 0.460 45.552 45.100 -0.013 0.000 0.635 70 G HN 0.633 nan 8.290 nan 0.000 0.499 71 A N -0.137 122.669 122.820 -0.024 0.000 1.883 71 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 71 A C 1.999 179.609 177.584 0.043 0.000 1.186 71 A CA 2.389 54.410 52.037 -0.026 0.000 0.624 71 A CB -0.690 18.295 19.000 -0.025 0.000 0.822 71 A HN 1.221 nan 8.150 nan 0.000 0.444 72 Y N 1.374 121.662 120.300 -0.020 0.000 2.165 72 Y HA -0.231 4.318 4.550 -0.000 0.000 0.286 72 Y C 2.816 178.742 175.900 0.044 0.000 1.155 72 Y CA 1.669 59.784 58.100 0.025 0.000 1.164 72 Y CB -0.497 37.977 38.460 0.022 0.000 0.978 72 Y HN 0.316 nan 8.280 nan 0.000 0.513 73 S N 0.279 116.006 115.700 0.044 0.000 2.370 73 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 73 S C 2.084 176.648 174.600 -0.060 0.000 1.033 73 S CA 1.609 59.795 58.200 -0.025 0.000 1.011 73 S CB -0.582 62.615 63.200 -0.005 0.000 0.852 73 S HN 0.458 nan 8.310 nan 0.000 0.457 74 L N 0.918 122.084 121.223 -0.094 0.000 2.093 74 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 74 L C 2.318 179.249 176.870 0.101 0.000 1.085 74 L CA 0.803 55.619 54.840 -0.040 0.000 0.755 74 L CB -0.751 41.081 42.059 -0.379 0.000 0.904 74 L HN 0.212 nan 8.230 nan 0.000 0.435 75 V N 0.319 120.225 119.914 -0.014 0.000 2.343 75 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 75 V C 2.220 178.207 176.094 -0.177 0.000 1.051 75 V CA 2.266 64.525 62.300 -0.068 0.000 1.036 75 V CB -0.474 31.260 31.823 -0.147 0.000 0.654 75 V HN 0.505 nan 8.190 nan 0.000 0.451 76 D N -0.931 119.332 120.400 -0.229 0.000 2.117 76 D HA -0.263 4.377 4.640 -0.000 0.000 0.197 76 D C 2.190 178.429 176.300 -0.103 0.000 0.987 76 D CA 1.582 55.473 54.000 -0.181 0.000 0.829 76 D CB -0.250 40.515 40.800 -0.060 0.000 0.961 76 D HN 0.585 nan 8.370 nan 0.000 0.460 77 H N -0.465 118.533 119.070 -0.121 0.000 2.353 77 H HA -0.072 4.484 4.556 -0.000 0.000 0.300 77 H C 2.011 177.265 175.328 -0.124 0.000 1.090 77 H CA 1.836 57.799 56.048 -0.142 0.000 1.327 77 H CB -0.419 29.217 29.762 -0.209 0.000 1.383 77 H HN 0.299 nan 8.280 nan 0.000 0.508 78 G N 1.333 110.162 108.800 0.048 0.000 2.459 78 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 78 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 78 G C 2.022 176.861 174.900 -0.103 0.000 1.183 78 G CA 1.009 46.168 45.100 0.098 0.000 0.776 78 G HN 0.419 nan 8.290 nan 0.000 0.552 79 I N 0.450 120.921 120.570 -0.166 0.000 2.194 79 I HA -0.220 3.950 4.170 -0.000 0.000 0.246 79 I C 2.833 178.856 176.117 -0.156 0.000 1.093 79 I CA 1.443 62.623 61.300 -0.200 0.000 1.355 79 I CB -0.182 37.586 38.000 -0.387 0.000 1.046 79 I HN 0.157 nan 8.210 nan 0.000 0.413 80 K N 0.655 120.942 120.400 -0.189 0.000 2.148 80 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 80 K C 2.234 178.728 176.600 -0.176 0.000 1.050 80 K CA 1.305 57.494 56.287 -0.163 0.000 0.942 80 K CB -0.183 32.212 32.500 -0.174 0.000 0.724 80 K HN 0.314 nan 8.250 nan 0.000 0.446 81 A N 0.977 123.636 122.820 -0.268 0.000 1.930 81 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 81 A C 1.940 179.488 177.584 -0.061 0.000 1.175 81 A CA 1.135 53.037 52.037 -0.224 0.000 0.627 81 A CB -0.225 18.581 19.000 -0.324 0.000 0.815 81 A HN 0.124 nan 8.150 nan 0.000 0.443 82 M N 0.125 119.699 119.600 -0.044 0.000 2.630 82 M HA 0.044 4.524 4.480 -0.000 0.000 0.254 82 M C 0.782 177.256 176.300 0.290 0.000 1.092 82 M CA 0.692 56.038 55.300 0.077 0.000 1.087 82 M CB -1.008 31.558 32.600 -0.057 0.000 1.453 82 M HN 0.366 nan 8.290 nan 0.000 0.509 83 N N -0.081 118.677 118.700 0.096 0.000 2.184 83 N HA 0.156 4.896 4.740 -0.000 0.000 0.206 83 N C 0.903 176.419 175.510 0.009 0.000 1.151 83 N CA 0.151 53.224 53.050 0.038 0.000 0.878 83 N CB 1.386 39.860 38.487 -0.021 0.000 1.014 83 N HN 0.307 nan 8.380 nan 0.000 0.512 84 G N 0.002 108.820 108.800 0.031 0.000 3.134 84 G HA2 0.446 4.406 3.960 -0.000 0.000 0.158 84 G HA3 0.446 4.406 3.960 -0.000 0.000 0.158 84 G C 1.009 175.947 174.900 0.065 0.000 1.334 84 G CA 0.453 45.562 45.100 0.016 0.000 1.001 84 G HN 0.070 nan 8.290 nan 0.000 0.600 85 A N -0.627 122.231 122.820 0.064 0.000 1.986 85 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 85 A C 2.419 180.142 177.584 0.230 0.000 1.171 85 A CA 1.461 53.567 52.037 0.114 0.000 0.640 85 A CB -0.585 18.454 19.000 0.064 0.000 0.811 85 A HN 0.388 nan 8.150 nan 0.000 0.451 86 L N -1.155 120.201 121.223 0.222 0.000 2.131 86 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 86 L C 1.711 178.804 176.870 0.372 0.000 1.092 86 L CA 0.593 55.633 54.840 0.334 0.000 0.759 86 L CB -0.225 41.992 42.059 0.263 0.000 0.903 86 L HN 0.383 nan 8.230 nan 0.000 0.435 87 R N 1.003 121.660 120.500 0.262 0.000 2.438 87 R HA -0.024 4.316 4.340 -0.000 0.000 0.287 87 R C -0.279 175.889 176.300 -0.220 0.000 1.077 87 R CA -0.247 55.787 56.100 -0.109 0.000 1.034 87 R CB 0.490 30.701 30.300 -0.149 0.000 0.993 87 R HN -0.089 nan 8.270 nan 0.000 0.459 88 D N 4.501 124.617 120.400 -0.472 0.000 2.468 88 D HA 0.032 4.672 4.640 -0.000 0.000 0.218 88 D C 0.234 176.423 176.300 -0.184 0.000 1.155 88 D CA -0.167 53.572 54.000 -0.434 0.000 0.924 88 D CB 0.812 41.249 40.800 -0.604 0.000 1.029 88 D HN 0.451 nan 8.370 nan 0.000 0.515 89 K N 2.685 123.021 120.400 -0.107 0.000 2.519 89 K HA -0.156 4.164 4.320 -0.000 0.000 0.196 89 K C 1.429 177.966 176.600 -0.105 0.000 1.041 89 K CA 0.515 56.743 56.287 -0.098 0.000 0.954 89 K CB 0.514 32.971 32.500 -0.071 0.000 0.774 89 K HN 0.399 nan 8.250 nan 0.000 0.480 90 K N -0.117 120.193 120.400 -0.149 0.000 2.161 90 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 90 K C 1.366 177.775 176.600 -0.318 0.000 1.035 90 K CA 0.483 56.588 56.287 -0.303 0.000 0.970 90 K CB 0.148 32.335 32.500 -0.522 0.000 0.866 90 K HN -0.037 nan 8.250 nan 0.000 0.461 91 Y N -0.122 120.189 120.300 0.018 0.000 2.509 91 Y HA 0.318 4.868 4.550 -0.000 0.000 0.270 91 Y C 0.825 176.802 175.900 0.128 0.000 1.103 91 Y CA 0.440 58.577 58.100 0.062 0.000 1.278 91 Y CB 0.941 39.416 38.460 0.024 0.000 1.087 91 Y HN 0.338 nan 8.280 nan 0.000 0.542 92 G N -0.998 107.910 108.800 0.180 0.000 2.570 92 G HA2 0.417 4.377 3.960 -0.000 0.000 0.686 92 G HA3 0.417 4.377 3.960 -0.000 0.000 0.686 92 G C 0.055 175.035 174.900 0.135 0.000 1.257 92 G CA -0.663 44.528 45.100 0.152 0.000 0.846 92 G HN 0.996 nan 8.290 nan 0.000 0.627 93 G N -0.310 108.430 108.800 -0.101 0.000 2.553 93 G HA2 0.093 4.052 3.960 -0.000 0.000 0.242 93 G HA3 0.093 4.052 3.960 -0.000 0.000 0.242 93 G C 0.015 174.595 174.900 -0.534 0.000 1.277 93 G CA 0.519 45.548 45.100 -0.118 0.000 0.910 93 G HN 1.815 nan 8.290 nan 0.000 0.576 94 W N -0.986 120.401 121.300 0.146 0.000 3.032 94 W HA 0.561 5.220 4.660 -0.000 0.000 0.335 94 W C -0.743 175.736 176.519 -0.067 0.000 1.154 94 W CA -1.099 56.180 57.345 -0.110 0.000 1.204 94 W CB 1.301 30.661 29.460 -0.168 0.000 1.416 94 W HN 0.499 nan 8.180 nan 0.000 0.521 95 Y N 0.863 121.329 120.300 0.276 0.000 2.480 95 Y HA 0.155 4.705 4.550 -0.000 0.000 0.338 95 Y C 1.434 177.431 175.900 0.161 0.000 1.220 95 Y CA 0.652 58.857 58.100 0.175 0.000 1.430 95 Y CB 0.388 38.911 38.460 0.106 0.000 1.311 95 Y HN 0.559 nan 8.280 nan 0.000 0.575 96 A N 1.290 124.291 122.820 0.302 0.000 1.969 96 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 96 A C 0.712 178.373 177.584 0.127 0.000 1.169 96 A CA 1.407 53.577 52.037 0.222 0.000 0.635 96 A CB -0.292 18.840 19.000 0.220 0.000 0.810 96 A HN 0.705 nan 8.150 nan 0.000 0.445 97 C N -1.439 117.898 119.300 0.062 0.000 3.090 97 C HA 0.590 5.049 4.460 -0.000 0.000 0.347 97 C C -0.854 174.099 174.990 -0.061 0.000 1.147 97 C CA -0.147 58.800 59.018 -0.119 0.000 1.305 97 C CB 0.884 28.390 27.740 -0.390 0.000 1.692 97 C HN 1.139 nan 8.230 nan 0.000 0.506 98 V N 3.052 122.928 119.914 -0.065 0.000 3.181 98 V HA 0.942 5.062 4.120 -0.000 0.000 0.307 98 V C -0.973 175.095 176.094 -0.044 0.000 1.310 98 V CA -0.214 62.056 62.300 -0.050 0.000 1.067 98 V CB 1.975 33.801 31.823 0.004 0.000 1.081 98 V HN 1.296 nan 8.190 nan 0.000 0.453 99 N N -1.688 116.988 118.700 -0.039 0.000 3.635 99 N HA 0.393 5.133 4.740 -0.000 0.000 0.347 99 N C 0.126 175.622 175.510 -0.025 0.000 1.596 99 N CA 0.061 53.096 53.050 -0.026 0.000 0.778 99 N CB -0.017 38.453 38.487 -0.028 0.000 2.436 99 N HN 0.462 nan 8.380 nan 0.000 0.569 100 D N -0.404 119.982 120.400 -0.022 0.000 2.123 100 D HA -0.047 4.592 4.640 -0.000 0.000 0.200 100 D C 0.853 177.137 176.300 -0.027 0.000 0.976 100 D CA 1.289 55.276 54.000 -0.022 0.000 0.831 100 D CB -0.020 40.769 40.800 -0.019 0.000 0.974 100 D HN 0.507 nan 8.370 nan 0.000 0.469 101 E N 0.158 120.339 120.200 -0.031 0.000 2.150 101 E HA 0.124 4.474 4.350 -0.000 0.000 0.193 101 E C 1.206 177.778 176.600 -0.046 0.000 0.985 101 E CA 0.739 57.118 56.400 -0.035 0.000 0.814 101 E CB 0.077 29.756 29.700 -0.035 0.000 0.752 101 E HN 0.342 nan 8.360 nan 0.000 0.466 102 G N -1.574 107.191 108.800 -0.059 0.000 2.439 102 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.186 102 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.186 102 G C -1.306 173.518 174.900 -0.128 0.000 1.260 102 G CA -0.429 44.619 45.100 -0.087 0.000 1.020 102 G HN -0.068 nan 8.290 nan 0.000 0.470 103 V N 1.446 121.233 119.914 -0.210 0.000 2.488 103 V HA 0.348 4.468 4.120 -0.000 0.000 0.277 103 V C 1.445 177.432 176.094 -0.178 0.000 1.046 103 V CA 0.059 62.181 62.300 -0.296 0.000 0.986 103 V CB 1.130 32.598 31.823 -0.592 0.000 0.989 103 V HN 0.652 nan 8.190 nan 0.000 0.475 104 V N 2.485 122.319 119.914 -0.132 0.000 2.575 104 V HA 0.126 4.246 4.120 -0.000 0.000 0.242 104 V C 0.507 176.561 176.094 -0.067 0.000 1.045 104 V CA 1.153 63.399 62.300 -0.091 0.000 1.065 104 V CB 0.082 31.849 31.823 -0.094 0.000 0.717 104 V HN 0.971 nan 8.190 nan 0.000 0.467 105 D N -0.779 119.591 120.400 -0.050 0.000 2.736 105 D HA 0.492 5.132 4.640 -0.000 0.000 0.243 105 D C 0.163 176.506 176.300 0.071 0.000 1.304 105 D CA 0.119 54.125 54.000 0.011 0.000 0.934 105 D CB 1.983 42.806 40.800 0.039 0.000 1.382 105 D HN 0.079 nan 8.370 nan 0.000 0.571 106 A N 2.701 125.568 122.820 0.079 0.000 2.275 106 A HA 0.240 4.560 4.320 -0.000 0.000 0.212 106 A C 0.880 178.596 177.584 0.221 0.000 1.201 106 A CA 0.074 52.246 52.037 0.224 0.000 0.843 106 A CB -0.315 18.763 19.000 0.130 0.000 0.873 106 A HN 0.520 nan 8.150 nan 0.000 0.492 107 S N 0.542 116.332 115.700 0.151 0.000 2.579 107 S HA 0.343 4.812 4.470 -0.000 0.000 0.275 107 S C -0.239 174.465 174.600 0.173 0.000 1.345 107 S CA -0.281 57.993 58.200 0.124 0.000 1.031 107 S CB 0.691 63.968 63.200 0.128 0.000 0.892 107 S HN 0.171 nan 8.310 nan 0.000 0.529 108 K N 2.669 123.151 120.400 0.137 0.000 2.354 108 K HA 0.294 4.614 4.320 -0.000 0.000 0.257 108 K C -0.598 176.275 176.600 0.455 0.000 1.062 108 K CA -0.020 56.422 56.287 0.257 0.000 0.971 108 K CB 1.005 33.426 32.500 -0.132 0.000 1.305 108 K HN 0.706 nan 8.250 nan 0.000 0.449 109 Q N 0.232 120.278 119.800 0.409 0.000 2.274 109 Q HA 0.241 4.581 4.340 -0.000 0.000 0.256 109 Q C 1.385 177.452 176.000 0.113 0.000 0.927 109 Q CA -0.306 55.700 55.803 0.338 0.000 0.939 109 Q CB 1.391 30.267 28.738 0.230 0.000 1.201 109 Q HN 0.732 nan 8.270 nan 0.000 0.426 110 G N 2.013 110.906 108.800 0.156 0.000 2.491 110 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 110 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 110 G C 1.198 176.094 174.900 -0.007 0.000 1.180 110 G CA 1.460 46.392 45.100 -0.280 0.000 0.774 110 G HN 0.886 nan 8.290 nan 0.000 0.562 111 Y N 0.585 121.041 120.300 0.259 0.000 2.193 111 Y HA -0.132 4.418 4.550 -0.000 0.000 0.285 111 Y C 2.650 178.664 175.900 0.191 0.000 1.166 111 Y CA 1.975 60.230 58.100 0.260 0.000 1.181 111 Y CB -0.501 38.090 38.460 0.218 0.000 0.976 111 Y HN 0.303 nan 8.280 nan 0.000 0.520 112 Q N -0.485 118.981 119.800 -0.557 0.000 2.172 112 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 112 Q C 2.028 177.919 176.000 -0.181 0.000 0.964 112 Q CA 1.236 56.839 55.803 -0.335 0.000 0.855 112 Q CB -0.304 28.214 28.738 -0.367 0.000 0.918 112 Q HN 0.743 nan 8.270 nan 0.000 0.444 113 H N -0.847 118.011 119.070 -0.352 0.000 2.428 113 H HA -0.061 4.495 4.556 -0.000 0.000 0.296 113 H C 1.634 176.735 175.328 -0.380 0.000 1.062 113 H CA 0.924 56.744 56.048 -0.379 0.000 1.350 113 H CB 0.174 29.492 29.762 -0.740 0.000 1.403 113 H HN 0.222 nan 8.280 nan 0.000 0.533 114 F N -0.270 119.619 119.950 -0.102 0.000 2.259 114 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 114 F C 2.131 177.777 175.800 -0.257 0.000 1.088 114 F CA 0.557 58.455 58.000 -0.170 0.000 1.358 114 F CB -0.542 38.319 39.000 -0.233 0.000 1.040 114 F HN 0.031 nan 8.300 nan 0.000 0.505 115 F N 0.023 119.930 119.950 -0.071 0.000 2.259 115 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 115 F C 2.430 178.080 175.800 -0.250 0.000 1.088 115 F CA 0.814 58.689 58.000 -0.207 0.000 1.358 115 F CB -1.094 37.744 39.000 -0.270 0.000 1.040 115 F HN -0.067 nan 8.300 nan 0.000 0.505 116 A N -0.363 122.370 122.820 -0.145 0.000 1.933 116 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 116 A C 2.123 179.573 177.584 -0.222 0.000 1.175 116 A CA 1.493 53.306 52.037 -0.374 0.000 0.628 116 A CB -1.024 17.498 19.000 -0.797 0.000 0.814 116 A HN 0.336 nan 8.150 nan 0.000 0.444 117 L N -0.844 120.318 121.223 -0.103 0.000 2.093 117 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 117 L C 2.221 179.063 176.870 -0.048 0.000 1.085 117 L CA 1.837 56.658 54.840 -0.031 0.000 0.755 117 L CB -0.539 41.560 42.059 0.066 0.000 0.904 117 L HN 0.374 nan 8.230 nan 0.000 0.435 118 L N -0.325 120.866 121.223 -0.053 0.000 2.017 118 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 118 L C 2.346 179.220 176.870 0.007 0.000 1.073 118 L CA 2.131 56.942 54.840 -0.047 0.000 0.745 118 L CB -1.485 40.512 42.059 -0.103 0.000 0.894 118 L HN 0.267 nan 8.230 nan 0.000 0.432 119 G N -0.963 107.830 108.800 -0.013 0.000 2.440 119 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 119 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 119 G C 1.582 176.476 174.900 -0.011 0.000 1.154 119 G CA 0.959 46.063 45.100 0.006 0.000 0.767 119 G HN 0.667 nan 8.290 nan 0.000 0.552 120 A N 1.109 123.903 122.820 -0.044 0.000 1.898 120 A HA 0.326 4.646 4.320 -0.000 0.000 0.216 120 A C 2.828 180.406 177.584 -0.009 0.000 1.181 120 A CA 2.182 54.203 52.037 -0.026 0.000 0.620 120 A CB -0.809 18.186 19.000 -0.008 0.000 0.819 120 A HN 0.811 nan 8.150 nan 0.000 0.442 121 A N -0.668 122.143 122.820 -0.016 0.000 1.933 121 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 121 A C 2.400 179.995 177.584 0.019 0.000 1.175 121 A CA 2.068 54.093 52.037 -0.020 0.000 0.628 121 A CB -0.710 18.262 19.000 -0.046 0.000 0.814 121 A HN 0.438 nan 8.150 nan 0.000 0.444 122 S N -0.491 115.246 115.700 0.061 0.000 2.414 122 S HA 0.117 4.586 4.470 -0.000 0.000 0.227 122 S C 2.218 176.841 174.600 0.037 0.000 1.022 122 S CA 0.816 59.065 58.200 0.081 0.000 0.958 122 S CB -0.264 63.049 63.200 0.187 0.000 0.797 122 S HN 0.766 nan 8.310 nan 0.000 0.493 123 A N 1.149 123.983 122.820 0.023 0.000 1.969 123 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 123 A C 2.223 179.835 177.584 0.045 0.000 1.169 123 A CA 1.110 53.154 52.037 0.011 0.000 0.635 123 A CB -0.787 18.189 19.000 -0.039 0.000 0.810 123 A HN 0.331 nan 8.150 nan 0.000 0.445 124 V N 0.876 120.811 119.914 0.035 0.000 2.469 124 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 124 V C 2.919 179.042 176.094 0.048 0.000 1.064 124 V CA 2.376 64.701 62.300 0.042 0.000 1.066 124 V CB -1.393 30.438 31.823 0.014 0.000 0.667 124 V HN 0.863 nan 8.190 nan 0.000 0.461 125 T N -1.929 112.649 114.554 0.040 0.000 3.072 125 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 125 T C 1.699 176.436 174.700 0.062 0.000 1.127 125 T CA 1.504 63.626 62.100 0.037 0.000 1.107 125 T CB -0.523 68.362 68.868 0.028 0.000 0.910 125 T HN 0.653 nan 8.240 nan 0.000 0.513 126 T N -2.359 112.258 114.554 0.106 0.000 3.067 126 T HA 0.391 4.741 4.350 -0.000 0.000 0.261 126 T C 2.046 176.859 174.700 0.187 0.000 1.110 126 T CA 0.775 62.980 62.100 0.174 0.000 1.113 126 T CB -0.617 68.431 68.868 0.299 0.000 0.917 126 T HN 0.946 nan 8.240 nan 0.000 0.499 127 G N 1.077 109.971 108.800 0.156 0.000 2.176 127 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.253 127 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.253 127 G C 0.047 175.061 174.900 0.190 0.000 0.979 127 G CA 0.207 45.382 45.100 0.125 0.000 0.641 127 G HN 0.923 nan 8.290 nan 0.000 0.530 128 H N 2.685 121.881 119.070 0.209 0.000 3.140 128 H HA 0.072 4.628 4.556 -0.000 0.000 0.316 128 H C -0.282 175.108 175.328 0.104 0.000 0.986 128 H CA 0.113 56.286 56.048 0.209 0.000 1.397 128 H CB 1.235 31.032 29.762 0.057 0.000 1.377 128 H HN 0.222 nan 8.280 nan 0.000 0.585 129 P HA -0.136 nan 4.420 nan 0.000 0.221 129 P C 0.451 177.864 177.300 0.188 0.000 1.145 129 P CA 1.133 64.275 63.100 0.070 0.000 0.795 129 P CB 0.501 32.179 31.700 -0.038 0.000 0.775 130 E N -1.050 119.412 120.200 0.437 0.000 2.481 130 E HA 0.201 4.551 4.350 -0.000 0.000 0.198 130 E C 1.901 178.577 176.600 0.127 0.000 1.027 130 E CA 0.201 56.742 56.400 0.235 0.000 0.900 130 E CB -0.185 29.636 29.700 0.202 0.000 0.993 130 E HN 0.184 nan 8.360 nan 0.000 0.482 131 A N 1.752 124.661 122.820 0.148 0.000 1.877 131 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 131 A C 2.264 179.886 177.584 0.064 0.000 1.186 131 A CA 1.784 53.854 52.037 0.055 0.000 0.620 131 A CB -0.310 18.734 19.000 0.074 0.000 0.822 131 A HN 0.081 nan 8.150 nan 0.000 0.443 132 R N 0.373 120.918 120.500 0.075 0.000 2.091 132 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 132 R C 2.129 178.476 176.300 0.079 0.000 1.136 132 R CA 2.261 58.399 56.100 0.063 0.000 0.959 132 R CB -0.532 29.801 30.300 0.056 0.000 0.856 132 R HN 0.579 nan 8.270 nan 0.000 0.437 133 K N -0.365 120.085 120.400 0.084 0.000 2.063 133 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 133 K C 1.868 178.547 176.600 0.132 0.000 1.048 133 K CA 1.642 57.984 56.287 0.093 0.000 0.928 133 K CB -0.268 32.275 32.500 0.072 0.000 0.713 133 K HN 0.229 nan 8.250 nan 0.000 0.442 134 L N 1.073 122.369 121.223 0.123 0.000 2.156 134 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 134 L C 1.970 178.973 176.870 0.223 0.000 1.095 134 L CA 1.143 56.093 54.840 0.184 0.000 0.770 134 L CB -0.426 41.697 42.059 0.107 0.000 0.914 134 L HN 0.244 nan 8.230 nan 0.000 0.439 135 L N -0.436 120.867 121.223 0.133 0.000 2.027 135 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 135 L C 2.052 178.998 176.870 0.127 0.000 1.074 135 L CA 1.844 56.742 54.840 0.097 0.000 0.745 135 L CB -1.055 41.023 42.059 0.032 0.000 0.898 135 L HN 0.274 nan 8.230 nan 0.000 0.433 136 D N -1.249 119.233 120.400 0.136 0.000 2.133 136 D HA -0.279 4.361 4.640 -0.000 0.000 0.195 136 D C 2.019 178.427 176.300 0.180 0.000 0.997 136 D CA 1.826 55.912 54.000 0.143 0.000 0.840 136 D CB -0.341 40.537 40.800 0.130 0.000 0.947 136 D HN 0.498 nan 8.370 nan 0.000 0.452 137 Y N 1.841 122.208 120.300 0.111 0.000 2.163 137 Y HA -0.210 4.339 4.550 -0.000 0.000 0.288 137 Y C 2.399 178.406 175.900 0.179 0.000 1.136 137 Y CA 1.850 60.019 58.100 0.115 0.000 1.147 137 Y CB -0.618 37.911 38.460 0.114 0.000 0.987 137 Y HN -0.120 nan 8.280 nan 0.000 0.509 138 T N 1.369 116.053 114.554 0.217 0.000 2.759 138 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 138 T C 2.043 176.825 174.700 0.136 0.000 1.042 138 T CA 2.011 64.265 62.100 0.257 0.000 1.140 138 T CB -0.509 68.548 68.868 0.315 0.000 0.864 138 T HN 0.370 nan 8.240 nan 0.000 0.455 139 I N 0.868 121.514 120.570 0.126 0.000 2.226 139 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 139 I C 2.666 178.873 176.117 0.151 0.000 1.100 139 I CA 1.426 62.845 61.300 0.198 0.000 1.374 139 I CB -0.359 37.780 38.000 0.231 0.000 1.057 139 I HN 0.348 nan 8.210 nan 0.000 0.413 140 E N 0.648 120.862 120.200 0.022 0.000 2.058 140 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 140 E C 2.265 178.783 176.600 -0.137 0.000 0.997 140 E CA 1.282 57.644 56.400 -0.064 0.000 0.801 140 E CB -0.025 29.604 29.700 -0.117 0.000 0.746 140 E HN 0.357 nan 8.360 nan 0.000 0.450 141 I N 1.244 121.687 120.570 -0.212 0.000 2.179 141 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 141 I C 2.404 178.565 176.117 0.074 0.000 1.088 141 I CA 1.119 62.333 61.300 -0.144 0.000 1.357 141 I CB -0.958 36.969 38.000 -0.122 0.000 1.051 141 I HN 0.161 nan 8.210 nan 0.000 0.409 142 I N 0.907 121.615 120.570 0.229 0.000 2.142 142 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 142 I C 2.413 178.758 176.117 0.379 0.000 1.078 142 I CA 1.475 63.016 61.300 0.402 0.000 1.343 142 I CB -1.274 37.007 38.000 0.468 0.000 1.046 142 I HN 0.343 nan 8.210 nan 0.000 0.405 143 E N 0.230 120.595 120.200 0.276 0.000 2.338 143 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 143 E C 2.066 178.690 176.600 0.041 0.000 1.007 143 E CA 0.650 57.183 56.400 0.221 0.000 0.849 143 E CB 0.065 29.844 29.700 0.131 0.000 0.774 143 E HN 0.436 nan 8.360 nan 0.000 0.506 144 K N -0.328 119.969 120.400 -0.171 0.000 2.168 144 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 144 K C 0.816 176.958 176.600 -0.763 0.000 1.049 144 K CA 0.783 56.736 56.287 -0.557 0.000 0.974 144 K CB 0.348 32.312 32.500 -0.892 0.000 0.792 144 K HN 0.065 nan 8.250 nan 0.000 0.463 145 Y N -2.120 117.923 120.300 -0.427 0.000 2.471 145 Y HA 0.223 4.773 4.550 -0.000 0.000 0.249 145 Y C 0.781 176.453 175.900 -0.380 0.000 1.116 145 Y CA -0.396 57.270 58.100 -0.723 0.000 1.240 145 Y CB 0.695 38.055 38.460 -1.834 0.000 1.251 145 Y HN -0.039 nan 8.280 nan 0.000 0.527 146 F N -2.302 117.859 119.950 0.351 0.000 2.740 146 F HA 0.189 4.716 4.527 -0.000 0.000 0.304 146 F C 0.589 176.774 175.800 0.642 0.000 1.098 146 F CA -0.522 57.766 58.000 0.480 0.000 1.258 146 F CB 0.372 39.494 39.000 0.204 0.000 1.061 146 F HN -0.004 nan 8.300 nan 0.000 0.598 147 W N 2.524 124.151 121.300 0.546 0.000 2.283 147 W HA 0.461 5.120 4.660 -0.000 0.000 0.317 147 W C -0.175 176.513 176.519 0.281 0.000 1.042 147 W CA -0.862 56.760 57.345 0.462 0.000 1.348 147 W CB 1.258 30.949 29.460 0.385 0.000 1.216 147 W HN -0.210 nan 8.180 nan 0.000 0.404 148 S N 4.290 119.752 115.700 -0.397 0.000 2.505 148 S HA 0.006 4.476 4.470 -0.000 0.000 0.276 148 S C 1.172 175.479 174.600 -0.488 0.000 1.274 148 S CA 0.013 58.031 58.200 -0.304 0.000 1.053 148 S CB 1.158 64.269 63.200 -0.149 0.000 0.919 148 S HN 0.613 nan 8.310 nan 0.000 0.490 149 E N 3.906 123.995 120.200 -0.185 0.000 2.015 149 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 149 E C 1.983 178.522 176.600 -0.103 0.000 0.991 149 E CA 1.928 58.273 56.400 -0.092 0.000 0.802 149 E CB -0.328 29.367 29.700 -0.010 0.000 0.759 149 E HN 1.002 nan 8.360 nan 0.000 0.447 150 E N 0.568 120.722 120.200 -0.077 0.000 2.150 150 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 150 E C 1.774 178.318 176.600 -0.094 0.000 0.985 150 E CA 1.023 57.387 56.400 -0.060 0.000 0.814 150 E CB -0.192 29.493 29.700 -0.026 0.000 0.752 150 E HN 0.264 nan 8.360 nan 0.000 0.466 151 E N 0.221 120.336 120.200 -0.141 0.000 2.190 151 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 151 E C 0.090 176.482 176.600 -0.347 0.000 0.978 151 E CA 0.146 56.438 56.400 -0.180 0.000 0.839 151 E CB 0.280 29.943 29.700 -0.061 0.000 0.787 151 E HN 0.091 nan 8.360 nan 0.000 0.473 152 Q N -0.235 119.278 119.800 -0.478 0.000 2.463 152 Q HA -0.198 4.142 4.340 -0.000 0.000 0.299 152 Q C -0.558 174.987 176.000 -0.759 0.000 1.353 152 Q CA 1.012 56.489 55.803 -0.545 0.000 0.828 152 Q CB -1.031 27.640 28.738 -0.112 0.000 1.157 152 Q HN 0.255 nan 8.270 nan 0.000 0.436 153 M N -1.614 117.353 119.600 -1.055 0.000 2.924 153 M HA 0.378 4.858 4.480 -0.000 0.000 0.271 153 M C -0.387 175.703 176.300 -0.350 0.000 1.280 153 M CA -0.594 54.333 55.300 -0.623 0.000 0.813 153 M CB 1.635 33.796 32.600 -0.733 0.000 1.658 153 M HN 0.137 nan 8.290 nan 0.000 0.467 154 C N 1.498 120.926 119.300 0.213 0.000 2.366 154 C HA 0.726 5.186 4.460 -0.000 0.000 0.345 154 C C 0.634 175.951 174.990 0.546 0.000 1.209 154 C CA -0.868 58.459 59.018 0.515 0.000 2.050 154 C CB 0.424 28.547 27.740 0.640 0.000 2.359 154 C HN 0.650 nan 8.230 nan 0.000 0.527 155 L N 1.471 123.050 121.223 0.595 0.000 2.468 155 L HA 0.249 4.589 4.340 -0.000 0.000 0.254 155 L C 1.415 178.631 176.870 0.576 0.000 1.171 155 L CA -0.002 55.125 54.840 0.477 0.000 0.809 155 L CB 0.426 42.735 42.059 0.416 0.000 1.155 155 L HN 0.750 nan 8.230 nan 0.000 0.473 156 E N 0.208 120.658 120.200 0.417 0.000 2.110 156 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 156 E C -0.112 176.801 176.600 0.522 0.000 0.950 156 E CA 0.686 57.367 56.400 0.469 0.000 0.840 156 E CB 0.521 30.481 29.700 0.432 0.000 0.809 156 E HN 0.653 nan 8.360 nan 0.000 0.465 157 S N -2.607 113.334 115.700 0.401 0.000 2.615 157 S HA 0.591 5.061 4.470 -0.000 0.000 0.268 157 S C -1.673 173.059 174.600 0.220 0.000 1.146 157 S CA -1.100 57.379 58.200 0.465 0.000 0.818 157 S CB 0.269 63.679 63.200 0.350 0.000 1.111 157 S HN 0.150 nan 8.310 nan 0.000 0.465 158 W N 0.891 122.263 121.300 0.119 0.000 3.062 158 W HA 0.532 5.192 4.660 -0.000 0.000 0.336 158 W C -0.581 175.849 176.519 -0.147 0.000 1.224 158 W CA -0.327 56.992 57.345 -0.043 0.000 1.159 158 W CB 0.832 30.211 29.460 -0.135 0.000 1.454 158 W HN 0.882 nan 8.180 nan 0.000 0.569 159 D N 0.174 120.633 120.400 0.099 0.000 2.371 159 D HA -0.019 4.621 4.640 -0.000 0.000 0.242 159 D C 0.968 177.129 176.300 -0.231 0.000 1.218 159 D CA -0.125 53.853 54.000 -0.037 0.000 0.945 159 D CB 0.679 41.458 40.800 -0.035 0.000 1.137 159 D HN 0.704 nan 8.370 nan 0.000 0.464 160 E N 0.185 120.262 120.200 -0.206 0.000 2.086 160 E HA -0.269 4.081 4.350 -0.000 0.000 0.200 160 E C 1.496 177.730 176.600 -0.611 0.000 1.012 160 E CA 1.670 57.905 56.400 -0.275 0.000 0.812 160 E CB -0.266 29.398 29.700 -0.060 0.000 0.743 160 E HN 0.559 nan 8.360 nan 0.000 0.453 161 A N -0.425 121.937 122.820 -0.762 0.000 2.302 161 A HA 0.140 4.460 4.320 -0.000 0.000 0.219 161 A C -0.051 177.212 177.584 -0.536 0.000 1.243 161 A CA -0.032 51.279 52.037 -1.210 0.000 0.856 161 A CB -0.484 17.756 19.000 -1.266 0.000 0.893 161 A HN 0.450 nan 8.150 nan 0.000 0.491 162 F N -0.387 119.299 119.950 -0.440 0.000 3.027 162 F HA -0.279 4.248 4.527 -0.000 0.000 0.276 162 F C 1.740 177.457 175.800 -0.140 0.000 0.967 162 F CA 0.778 58.464 58.000 -0.524 0.000 0.929 162 F CB -2.258 35.925 39.000 -1.361 0.000 0.873 162 F HN 0.421 nan 8.300 nan 0.000 0.787 163 S N -1.723 114.073 115.700 0.159 0.000 2.475 163 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 163 S C 0.622 175.388 174.600 0.277 0.000 1.042 163 S CA 0.495 58.801 58.200 0.176 0.000 0.935 163 S CB 0.728 63.957 63.200 0.049 0.000 0.801 163 S HN 0.466 nan 8.310 nan 0.000 0.509 164 K N 0.867 121.434 120.400 0.277 0.000 2.535 164 K HA 0.402 4.722 4.320 -0.000 0.000 0.250 164 K C -1.474 175.059 176.600 -0.113 0.000 0.948 164 K CA -0.300 56.041 56.287 0.091 0.000 0.796 164 K CB 2.163 34.678 32.500 0.025 0.000 1.216 164 K HN 0.062 nan 8.250 nan 0.000 0.432 165 T N 2.062 116.242 114.554 -0.623 0.000 2.882 165 T HA 0.104 4.453 4.350 -0.000 0.000 0.287 165 T C -0.605 173.845 174.700 -0.417 0.000 0.992 165 T CA -0.410 61.072 62.100 -1.030 0.000 1.076 165 T CB 0.892 68.754 68.868 -1.676 0.000 0.961 165 T HN 0.698 nan 8.240 nan 0.000 0.490 166 E N 2.849 122.900 120.200 -0.249 0.000 2.414 166 E HA -0.013 4.337 4.350 -0.000 0.000 0.263 166 E C -0.216 176.366 176.600 -0.029 0.000 1.000 166 E CA 0.122 56.490 56.400 -0.054 0.000 0.914 166 E CB 0.414 30.151 29.700 0.060 0.000 0.948 166 E HN 0.593 nan 8.360 nan 0.000 0.444 167 E N 4.500 124.711 120.200 0.019 0.000 2.261 167 E HA 0.078 4.428 4.350 -0.000 0.000 0.308 167 E C -1.220 175.450 176.600 0.116 0.000 1.400 167 E CA -0.027 56.387 56.400 0.024 0.000 1.542 167 E CB -0.108 29.604 29.700 0.020 0.000 1.369 167 E HN 0.364 nan 8.360 nan 0.000 0.493 168 Y N -0.047 120.215 120.300 -0.064 0.000 2.592 168 Y HA 0.398 4.948 4.550 -0.000 0.000 0.334 168 Y C -1.641 174.170 175.900 -0.149 0.000 1.136 168 Y CA -1.229 56.831 58.100 -0.067 0.000 1.042 168 Y CB 1.331 39.801 38.460 0.017 0.000 1.325 168 Y HN -0.045 nan 8.280 nan 0.000 0.457 169 R N 2.930 122.908 120.500 -0.870 0.000 2.538 169 R HA 0.649 4.989 4.340 -0.000 0.000 0.292 169 R C -0.951 174.842 176.300 -0.844 0.000 1.008 169 R CA -0.778 54.837 56.100 -0.809 0.000 0.896 169 R CB 1.668 31.007 30.300 -1.602 0.000 1.187 169 R HN 0.936 nan 8.270 nan 0.000 0.440 170 G N -0.445 108.245 108.800 -0.182 0.000 2.482 170 G HA2 0.461 4.421 3.960 -0.000 0.000 0.317 170 G HA3 0.461 4.421 3.960 -0.000 0.000 0.317 170 G C 0.633 175.678 174.900 0.241 0.000 1.241 170 G CA -0.450 44.718 45.100 0.114 0.000 0.967 170 G HN 0.478 nan 8.290 nan 0.000 0.482 171 G N 0.297 109.276 108.800 0.299 0.000 2.408 171 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 171 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 171 G C 1.465 176.542 174.900 0.295 0.000 1.150 171 G CA 1.017 46.353 45.100 0.394 0.000 0.776 171 G HN 0.634 nan 8.290 nan 0.000 0.542 172 N N 1.155 119.909 118.700 0.090 0.000 2.069 172 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 172 N C 2.535 178.085 175.510 0.067 0.000 1.031 172 N CA 1.440 54.445 53.050 -0.075 0.000 0.852 172 N CB -0.180 38.211 38.487 -0.160 0.000 1.018 172 N HN 0.237 nan 8.380 nan 0.000 0.423 173 A N 1.010 123.955 122.820 0.208 0.000 1.902 173 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 173 A C 1.952 179.576 177.584 0.067 0.000 1.181 173 A CA 1.667 53.894 52.037 0.316 0.000 0.623 173 A CB -0.760 18.527 19.000 0.478 0.000 0.818 173 A HN 0.459 nan 8.150 nan 0.000 0.443 174 N N -1.018 117.746 118.700 0.106 0.000 2.309 174 N HA -0.058 4.682 4.740 -0.000 0.000 0.182 174 N C 1.656 177.046 175.510 -0.201 0.000 1.018 174 N CA 1.330 54.393 53.050 0.021 0.000 0.876 174 N CB -0.287 38.373 38.487 0.288 0.000 0.972 174 N HN 0.591 nan 8.380 nan 0.000 0.434 175 M N -0.226 119.158 119.600 -0.361 0.000 2.132 175 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 175 M C 1.181 176.921 176.300 -0.934 0.000 1.065 175 M CA 1.516 56.167 55.300 -1.081 0.000 1.122 175 M CB -0.007 31.764 32.600 -1.381 0.000 1.365 175 M HN 0.286 nan 8.290 nan 0.000 0.411 176 H N -0.428 118.298 119.070 -0.574 0.000 2.529 176 H HA 0.100 4.655 4.556 -0.000 0.000 0.277 176 H C 2.008 176.885 175.328 -0.752 0.000 0.999 176 H CA 1.207 56.869 56.048 -0.643 0.000 1.256 176 H CB -0.139 29.168 29.762 -0.759 0.000 1.402 176 H HN 0.502 nan 8.280 nan 0.000 0.566 177 A N 0.666 122.908 122.820 -0.963 0.000 1.897 177 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 177 A C 2.746 179.424 177.584 -1.509 0.000 1.181 177 A CA 1.137 52.138 52.037 -1.727 0.000 0.620 177 A CB -0.749 17.020 19.000 -2.053 0.000 0.821 177 A HN 0.176 nan 8.150 nan 0.000 0.443 178 V N 0.300 119.731 119.914 -0.804 0.000 2.255 178 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 178 V C 2.571 178.488 176.094 -0.295 0.000 1.051 178 V CA 2.474 64.563 62.300 -0.353 0.000 1.018 178 V CB -0.776 30.916 31.823 -0.217 0.000 0.641 178 V HN 0.804 nan 8.190 nan 0.000 0.445 179 E N 0.263 120.234 120.200 -0.383 0.000 2.049 179 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 179 E C 2.203 178.685 176.600 -0.197 0.000 1.007 179 E CA 1.798 58.043 56.400 -0.258 0.000 0.809 179 E CB -0.290 29.254 29.700 -0.259 0.000 0.749 179 E HN 0.554 nan 8.360 nan 0.000 0.450 180 A N 0.323 122.972 122.820 -0.284 0.000 1.902 180 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 180 A C 1.917 179.491 177.584 -0.016 0.000 1.181 180 A CA 1.308 53.242 52.037 -0.171 0.000 0.623 180 A CB -0.797 18.101 19.000 -0.171 0.000 0.818 180 A HN 0.361 nan 8.150 nan 0.000 0.443 181 F N 0.166 120.087 119.950 -0.049 0.000 2.161 181 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 181 F C 2.081 177.914 175.800 0.055 0.000 1.089 181 F CA 0.508 58.521 58.000 0.021 0.000 1.282 181 F CB -1.199 37.873 39.000 0.120 0.000 1.010 181 F HN 0.104 nan 8.300 nan 0.000 0.485 182 L N -0.608 120.736 121.223 0.202 0.000 2.012 182 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 182 L C 2.432 179.415 176.870 0.188 0.000 1.073 182 L CA 0.847 55.789 54.840 0.170 0.000 0.748 182 L CB -0.611 41.482 42.059 0.058 0.000 0.891 182 L HN 0.041 nan 8.230 nan 0.000 0.431 183 I N -0.869 119.752 120.570 0.085 0.000 2.353 183 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 183 I C 2.560 178.685 176.117 0.012 0.000 1.119 183 I CA 1.122 62.454 61.300 0.054 0.000 1.417 183 I CB -1.085 36.932 38.000 0.029 0.000 1.078 183 I HN 0.044 nan 8.210 nan 0.000 0.421 184 V N 0.634 120.513 119.914 -0.059 0.000 2.407 184 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 184 V C 2.467 178.491 176.094 -0.117 0.000 1.055 184 V CA 1.818 63.963 62.300 -0.258 0.000 1.049 184 V CB -1.037 30.340 31.823 -0.743 0.000 0.662 184 V HN 0.381 nan 8.190 nan 0.000 0.455 185 Y N 1.509 121.803 120.300 -0.010 0.000 2.181 185 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 185 Y C 2.334 178.337 175.900 0.172 0.000 1.146 185 Y CA 1.929 60.126 58.100 0.161 0.000 1.164 185 Y CB -0.405 38.172 38.460 0.195 0.000 0.982 185 Y HN 0.308 nan 8.280 nan 0.000 0.515 186 D N -0.098 120.320 120.400 0.029 0.000 2.144 186 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 186 D C 1.848 178.013 176.300 -0.226 0.000 0.984 186 D CA 1.973 55.937 54.000 -0.060 0.000 0.834 186 D CB -0.326 40.511 40.800 0.062 0.000 0.955 186 D HN 0.427 nan 8.370 nan 0.000 0.465 187 V N -1.251 118.565 119.914 -0.164 0.000 3.421 187 V HA 0.262 4.382 4.120 -0.000 0.000 0.316 187 V C 1.184 177.172 176.094 -0.178 0.000 1.347 187 V CA 0.980 63.170 62.300 -0.183 0.000 1.183 187 V CB -0.105 31.659 31.823 -0.099 0.000 1.092 187 V HN 0.162 nan 8.190 nan 0.000 0.433 188 T N -4.986 109.457 114.554 -0.185 0.000 3.123 188 T HA 0.175 4.524 4.350 -0.000 0.000 0.259 188 T C 0.615 175.303 174.700 -0.020 0.000 0.871 188 T CA 0.663 62.724 62.100 -0.064 0.000 0.857 188 T CB -0.625 68.287 68.868 0.075 0.000 1.267 188 T HN 0.500 nan 8.240 nan 0.000 0.556 189 H N 2.126 121.068 119.070 -0.213 0.000 2.604 189 H HA -0.120 4.436 4.556 -0.000 0.000 0.321 189 H C -0.974 174.321 175.328 -0.055 0.000 1.132 189 H CA 0.541 56.410 56.048 -0.297 0.000 1.129 189 H CB -0.883 28.754 29.762 -0.208 0.000 1.526 189 H HN 0.420 nan 8.280 nan 0.000 0.415 190 D N 1.041 121.560 120.400 0.198 0.000 2.464 190 D HA 0.074 4.714 4.640 -0.000 0.000 0.243 190 D C 1.173 177.653 176.300 0.299 0.000 1.104 190 D CA -0.586 53.541 54.000 0.213 0.000 0.883 190 D CB 0.658 41.600 40.800 0.236 0.000 1.050 190 D HN 0.570 nan 8.370 nan 0.000 0.524 191 K N 3.440 123.993 120.400 0.254 0.000 2.304 191 K HA -0.283 4.037 4.320 -0.000 0.000 0.204 191 K C 1.532 178.147 176.600 0.026 0.000 1.044 191 K CA 1.102 57.518 56.287 0.216 0.000 0.932 191 K CB 0.042 32.598 32.500 0.094 0.000 0.735 191 K HN 0.265 nan 8.250 nan 0.000 0.468 192 K N 0.706 121.042 120.400 -0.107 0.000 2.059 192 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 192 K C 1.602 177.910 176.600 -0.486 0.000 1.050 192 K CA 2.255 58.321 56.287 -0.368 0.000 0.927 192 K CB -0.313 31.832 32.500 -0.591 0.000 0.714 192 K HN 0.450 nan 8.250 nan 0.000 0.447 193 W N 0.426 121.625 121.300 -0.169 0.000 2.425 193 W HA -0.085 4.575 4.660 -0.000 0.000 0.277 193 W C 1.957 178.354 176.519 -0.203 0.000 1.231 193 W CA -0.136 57.047 57.345 -0.271 0.000 1.248 193 W CB -0.146 29.282 29.460 -0.054 0.000 1.117 193 W HN 0.175 nan 8.180 nan 0.000 0.568 194 L N 0.229 121.452 121.223 0.000 0.000 2.209 194 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 194 L C 1.690 178.476 176.870 -0.139 0.000 1.094 194 L CA 1.827 56.542 54.840 -0.209 0.000 0.790 194 L CB -0.722 40.940 42.059 -0.663 0.000 0.932 194 L HN -0.178 nan 8.230 nan 0.000 0.447 195 D N -0.376 119.936 120.400 -0.146 0.000 2.117 195 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 195 D C 2.249 178.486 176.300 -0.106 0.000 0.982 195 D CA 1.065 54.995 54.000 -0.117 0.000 0.828 195 D CB 0.024 40.742 40.800 -0.135 0.000 0.967 195 D HN 0.334 nan 8.370 nan 0.000 0.464 196 R N 0.803 121.151 120.500 -0.254 0.000 2.075 196 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 196 R C 2.369 178.691 176.300 0.036 0.000 1.126 196 R CA 1.158 57.063 56.100 -0.325 0.000 0.963 196 R CB -0.266 29.370 30.300 -1.107 0.000 0.858 196 R HN 0.074 nan 8.270 nan 0.000 0.435 197 A N 1.431 124.330 122.820 0.131 0.000 1.865 197 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 197 A C 2.162 179.877 177.584 0.219 0.000 1.191 197 A CA 1.390 53.597 52.037 0.284 0.000 0.623 197 A CB -0.597 18.538 19.000 0.226 0.000 0.826 197 A HN 0.350 nan 8.150 nan 0.000 0.444 198 I N -0.967 119.686 120.570 0.139 0.000 2.394 198 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 198 I C 2.566 178.839 176.117 0.260 0.000 1.136 198 I CA 1.822 63.234 61.300 0.187 0.000 1.425 198 I CB -0.108 37.953 38.000 0.101 0.000 1.079 198 I HN 0.407 nan 8.210 nan 0.000 0.425 199 R N 1.029 121.638 120.500 0.182 0.000 2.070 199 R HA -0.178 4.162 4.340 -0.000 0.000 0.233 199 R C 2.219 178.598 176.300 0.132 0.000 1.137 199 R CA 2.613 58.802 56.100 0.150 0.000 0.945 199 R CB -1.449 28.944 30.300 0.156 0.000 0.845 199 R HN 0.366 nan 8.270 nan 0.000 0.430 200 V N 0.163 120.203 119.914 0.210 0.000 2.594 200 V HA -0.006 4.114 4.120 -0.000 0.000 0.253 200 V C 1.995 178.169 176.094 0.133 0.000 1.069 200 V CA 2.041 64.426 62.300 0.142 0.000 1.082 200 V CB -0.808 31.185 31.823 0.283 0.000 0.680 200 V HN 0.436 nan 8.190 nan 0.000 0.469 201 A N 1.052 124.034 122.820 0.271 0.000 1.968 201 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 201 A C 2.581 180.275 177.584 0.183 0.000 1.169 201 A CA 2.028 54.248 52.037 0.304 0.000 0.638 201 A CB -0.868 18.422 19.000 0.482 0.000 0.812 201 A HN 0.974 nan 8.150 nan 0.000 0.446 202 S N -0.519 115.265 115.700 0.140 0.000 2.387 202 S HA -0.084 4.386 4.470 -0.000 0.000 0.226 202 S C 1.749 176.222 174.600 -0.211 0.000 1.026 202 S CA 1.318 59.390 58.200 -0.214 0.000 0.972 202 S CB -0.719 62.342 63.200 -0.232 0.000 0.814 202 S HN 0.200 nan 8.310 nan 0.000 0.477 203 V N 2.068 121.872 119.914 -0.183 0.000 2.255 203 V HA -0.019 4.101 4.120 -0.000 0.000 0.243 203 V C 2.495 178.438 176.094 -0.253 0.000 1.038 203 V CA 1.817 63.963 62.300 -0.256 0.000 1.008 203 V CB -0.594 31.002 31.823 -0.379 0.000 0.645 203 V HN 0.480 nan 8.190 nan 0.000 0.449 204 I N -0.747 119.655 120.570 -0.281 0.000 2.353 204 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 204 I C 2.035 177.940 176.117 -0.353 0.000 1.119 204 I CA 1.113 62.242 61.300 -0.286 0.000 1.417 204 I CB -0.077 37.691 38.000 -0.387 0.000 1.078 204 I HN 0.243 nan 8.210 nan 0.000 0.421 205 I N -0.519 119.826 120.570 -0.375 0.000 2.900 205 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 205 I C 2.508 178.545 176.117 -0.133 0.000 1.102 205 I CA 1.208 62.344 61.300 -0.273 0.000 1.457 205 I CB -1.482 36.403 38.000 -0.192 0.000 1.285 205 I HN 0.165 nan 8.210 nan 0.000 0.459 206 H N 1.603 120.540 119.070 -0.222 0.000 2.421 206 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 206 H C 1.493 176.608 175.328 -0.355 0.000 1.087 206 H CA 2.000 57.834 56.048 -0.357 0.000 1.330 206 H CB 0.188 29.357 29.762 -0.989 0.000 1.388 206 H HN 0.215 nan 8.280 nan 0.000 0.526 207 D N -1.385 118.764 120.400 -0.419 0.000 2.324 207 D HA 0.007 4.646 4.640 -0.000 0.000 0.212 207 D C 2.002 178.109 176.300 -0.322 0.000 0.984 207 D CA 0.838 54.596 54.000 -0.404 0.000 0.885 207 D CB 0.441 41.070 40.800 -0.285 0.000 0.996 207 D HN 0.292 nan 8.370 nan 0.000 0.505 208 V N 0.791 120.547 119.914 -0.263 0.000 2.743 208 V HA 0.154 4.274 4.120 -0.000 0.000 0.237 208 V C 2.344 178.248 176.094 -0.317 0.000 1.113 208 V CA 1.034 63.193 62.300 -0.236 0.000 1.141 208 V CB -0.369 31.402 31.823 -0.087 0.000 0.873 208 V HN 0.077 nan 8.190 nan 0.000 0.486 209 A N 0.681 123.315 122.820 -0.310 0.000 1.902 209 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 209 A C 2.305 179.580 177.584 -0.516 0.000 1.181 209 A CA 2.231 54.052 52.037 -0.361 0.000 0.623 209 A CB -0.624 18.201 19.000 -0.292 0.000 0.818 209 A HN 0.456 nan 8.150 nan 0.000 0.443 210 R N 0.626 120.801 120.500 -0.541 0.000 2.139 210 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 210 R C 1.453 177.298 176.300 -0.758 0.000 1.145 210 R CA 1.935 57.527 56.100 -0.847 0.000 0.976 210 R CB -0.448 29.553 30.300 -0.498 0.000 0.866 210 R HN 0.854 nan 8.270 nan 0.000 0.449 211 N N -1.583 116.787 118.700 -0.551 0.000 2.251 211 N HA -0.039 4.701 4.740 -0.000 0.000 0.217 211 N C 0.071 175.265 175.510 -0.527 0.000 1.124 211 N CA -0.195 52.564 53.050 -0.485 0.000 0.843 211 N CB 0.195 38.458 38.487 -0.373 0.000 1.024 211 N HN 0.160 nan 8.380 nan 0.000 0.501 212 N N 0.507 118.873 118.700 -0.557 0.000 2.553 212 N HA 0.018 4.758 4.740 -0.000 0.000 0.298 212 N C -0.656 174.616 175.510 -0.397 0.000 1.596 212 N CA -0.354 52.395 53.050 -0.501 0.000 0.910 212 N CB 0.004 38.229 38.487 -0.436 0.000 1.336 212 N HN 0.249 nan 8.380 nan 0.000 0.497 213 H N -0.117 118.786 119.070 -0.278 0.000 2.861 213 H HA -0.212 4.344 4.556 -0.000 0.000 0.289 213 H C -0.393 174.849 175.328 -0.145 0.000 1.176 213 H CA 1.338 57.287 56.048 -0.165 0.000 1.146 213 H CB -2.026 27.702 29.762 -0.057 0.000 1.330 213 H HN 0.608 nan 8.280 nan 0.000 0.379 214 Y N -2.365 117.817 120.300 -0.197 0.000 4.604 214 Y HA -0.318 4.232 4.550 -0.000 0.000 0.230 214 Y C 0.910 176.396 175.900 -0.691 0.000 1.066 214 Y CA 1.145 59.059 58.100 -0.309 0.000 1.990 214 Y CB -1.074 37.290 38.460 -0.160 0.000 1.619 214 Y HN 0.330 nan 8.280 nan 0.000 0.649 215 R N 0.795 120.936 120.500 -0.598 0.000 2.202 215 R HA 0.433 4.773 4.340 -0.000 0.000 0.334 215 R C -0.164 175.778 176.300 -0.596 0.000 1.036 215 R CA -0.580 54.908 56.100 -1.021 0.000 0.878 215 R CB 1.141 31.335 30.300 -0.176 0.000 1.067 215 R HN -0.073 nan 8.270 nan 0.000 0.457 216 V N 4.037 123.483 119.914 -0.780 0.000 2.521 216 V HA -0.029 4.091 4.120 -0.000 0.000 0.286 216 V C 0.806 176.951 176.094 0.084 0.000 1.034 216 V CA -0.314 61.851 62.300 -0.226 0.000 1.045 216 V CB 0.710 32.504 31.823 -0.049 0.000 0.974 216 V HN 0.703 nan 8.190 nan 0.000 0.480 217 N N 4.318 122.962 118.700 -0.094 0.000 2.422 217 N HA 0.090 4.830 4.740 -0.000 0.000 0.264 217 N C 0.654 176.036 175.510 -0.213 0.000 1.063 217 N CA -0.248 52.683 53.050 -0.198 0.000 0.959 217 N CB 1.462 39.624 38.487 -0.542 0.000 1.087 217 N HN 0.717 nan 8.380 nan 0.000 0.483 218 E N 2.000 122.045 120.200 -0.259 0.000 2.216 218 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 218 E C -0.318 175.969 176.600 -0.521 0.000 0.973 218 E CA 0.639 56.840 56.400 -0.332 0.000 0.851 218 E CB 0.254 29.669 29.700 -0.476 0.000 0.804 218 E HN 0.639 nan 8.360 nan 0.000 0.477 219 H N -0.515 118.346 119.070 -0.347 0.000 2.467 219 H HA 0.337 4.893 4.556 -0.000 0.000 0.326 219 H C -0.537 174.343 175.328 -0.747 0.000 1.094 219 H CA -0.125 55.628 56.048 -0.492 0.000 1.253 219 H CB 0.315 29.823 29.762 -0.422 0.000 1.439 219 H HN -0.136 nan 8.280 nan 0.000 0.479 220 F N 0.709 120.333 119.950 -0.543 0.000 2.613 220 F HA 0.154 4.681 4.527 -0.000 0.000 0.314 220 F C 0.282 175.766 175.800 -0.527 0.000 1.075 220 F CA -1.168 56.556 58.000 -0.460 0.000 0.945 220 F CB 1.317 39.979 39.000 -0.562 0.000 1.310 220 F HN 0.452 nan 8.300 nan 0.000 0.467 221 D N -1.278 119.043 120.400 -0.130 0.000 2.451 221 D HA 0.221 4.861 4.640 -0.000 0.000 0.259 221 D C 0.887 177.031 176.300 -0.261 0.000 1.201 221 D CA -0.460 53.460 54.000 -0.133 0.000 1.028 221 D CB 0.048 40.831 40.800 -0.028 0.000 1.095 221 D HN 0.476 nan 8.370 nan 0.000 0.539 222 T N -0.651 113.798 114.554 -0.174 0.000 2.869 222 T HA -0.134 4.215 4.350 -0.000 0.000 0.270 222 T C 1.052 175.676 174.700 -0.126 0.000 1.082 222 T CA 1.171 63.162 62.100 -0.182 0.000 1.123 222 T CB -0.151 68.669 68.868 -0.079 0.000 0.856 222 T HN 0.371 nan 8.240 nan 0.000 0.499 223 Q N -1.065 118.703 119.800 -0.054 0.000 2.246 223 Q HA 0.107 4.447 4.340 -0.000 0.000 0.202 223 Q C -0.042 176.062 176.000 0.173 0.000 0.883 223 Q CA -0.158 55.683 55.803 0.063 0.000 0.952 223 Q CB -0.270 28.496 28.738 0.047 0.000 1.078 223 Q HN 0.686 nan 8.270 nan 0.000 0.493 224 W N 1.134 122.422 121.300 -0.020 0.000 4.435 224 W HA -0.224 4.436 4.660 -0.000 0.000 0.351 224 W C -0.380 176.216 176.519 0.128 0.000 1.319 224 W CA 0.113 57.446 57.345 -0.021 0.000 0.791 224 W CB -2.066 27.300 29.460 -0.156 0.000 2.419 224 W HN 0.077 nan 8.180 nan 0.000 1.406 225 N N 1.803 120.621 118.700 0.196 0.000 2.455 225 N HA 0.279 5.019 4.740 -0.000 0.000 0.280 225 N C -1.914 173.660 175.510 0.108 0.000 1.055 225 N CA -1.251 51.884 53.050 0.141 0.000 0.961 225 N CB 0.813 39.332 38.487 0.052 0.000 1.121 225 N HN -0.169 nan 8.380 nan 0.000 0.476 226 P HA 0.113 nan 4.420 nan 0.000 0.271 226 P C -0.482 176.698 177.300 -0.199 0.000 1.216 226 P CA -0.011 62.895 63.100 -0.323 0.000 0.776 226 P CB 0.937 32.393 31.700 -0.407 0.000 0.881 227 L N 5.298 126.408 121.223 -0.189 0.000 2.506 227 L HA 0.248 4.588 4.340 -0.000 0.000 0.247 227 L C -1.026 175.917 176.870 0.122 0.000 1.141 227 L CA -1.730 53.128 54.840 0.031 0.000 0.973 227 L CB 1.359 43.525 42.059 0.178 0.000 1.319 227 L HN 0.231 nan 8.230 nan 0.000 0.455 228 P HA -0.172 nan 4.420 nan 0.000 0.219 228 P C 0.344 178.001 177.300 0.595 0.000 1.146 228 P CA 1.215 64.411 63.100 0.160 0.000 0.808 228 P CB 0.446 32.004 31.700 -0.236 0.000 0.779 229 D N -1.924 118.739 120.400 0.438 0.000 2.342 229 D HA 0.017 4.657 4.640 -0.000 0.000 0.221 229 D C 0.341 176.895 176.300 0.423 0.000 1.101 229 D CA -0.413 53.880 54.000 0.488 0.000 0.837 229 D CB -0.736 40.221 40.800 0.262 0.000 0.938 229 D HN 0.210 nan 8.370 nan 0.000 0.508 230 Y N 2.238 122.713 120.300 0.292 0.000 2.721 230 Y HA -0.141 4.408 4.550 -0.000 0.000 0.329 230 Y C 1.149 177.148 175.900 0.166 0.000 1.211 230 Y CA 0.413 58.590 58.100 0.127 0.000 1.512 230 Y CB 0.084 38.506 38.460 -0.062 0.000 1.249 230 Y HN -0.012 nan 8.280 nan 0.000 0.549 231 N N 3.001 121.657 118.700 -0.073 0.000 2.741 231 N HA -0.320 4.420 4.740 -0.000 0.000 0.251 231 N C 1.314 176.851 175.510 0.044 0.000 1.112 231 N CA 1.360 54.425 53.050 0.026 0.000 0.750 231 N CB -0.659 37.932 38.487 0.174 0.000 1.119 231 N HN 0.796 nan 8.380 nan 0.000 0.561 232 K N 1.064 121.452 120.400 -0.020 0.000 2.103 232 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 232 K C 1.050 177.418 176.600 -0.387 0.000 1.048 232 K CA 1.781 57.798 56.287 -0.449 0.000 0.930 232 K CB -0.015 32.296 32.500 -0.316 0.000 0.716 232 K HN 0.347 nan 8.250 nan 0.000 0.444 233 D N -0.698 119.576 120.400 -0.209 0.000 2.338 233 D HA -0.072 4.568 4.640 -0.000 0.000 0.239 233 D C -0.592 175.597 176.300 -0.185 0.000 1.095 233 D CA 0.344 54.239 54.000 -0.175 0.000 0.888 233 D CB -0.167 40.566 40.800 -0.112 0.000 0.899 233 D HN 0.128 nan 8.370 nan 0.000 0.525 234 N N 0.020 118.585 118.700 -0.225 0.000 2.635 234 N HA 0.140 4.880 4.740 -0.000 0.000 0.252 234 N C -2.373 172.972 175.510 -0.276 0.000 1.589 234 N CA -0.751 52.081 53.050 -0.364 0.000 0.828 234 N CB 1.694 39.852 38.487 -0.549 0.000 1.403 234 N HN -0.142 nan 8.380 nan 0.000 0.518 235 P HA -0.205 nan 4.420 nan 0.000 0.218 235 P C 1.097 178.419 177.300 0.037 0.000 1.146 235 P CA 1.103 64.186 63.100 -0.028 0.000 0.820 235 P CB 0.374 32.020 31.700 -0.088 0.000 0.778 236 A N -1.404 121.384 122.820 -0.053 0.000 1.929 236 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 236 A C 0.790 178.461 177.584 0.145 0.000 1.176 236 A CA 0.609 52.663 52.037 0.027 0.000 0.628 236 A CB -1.425 17.573 19.000 -0.004 0.000 0.816 236 A HN 0.180 nan 8.150 nan 0.000 0.444 237 H N 0.512 119.651 119.070 0.115 0.000 3.140 237 H HA 0.047 4.603 4.556 -0.000 0.000 0.316 237 H C 1.271 176.716 175.328 0.194 0.000 0.986 237 H CA 0.185 56.320 56.048 0.146 0.000 1.397 237 H CB 0.444 30.295 29.762 0.149 0.000 1.377 237 H HN 0.221 nan 8.280 nan 0.000 0.585 238 R N 2.352 123.053 120.500 0.335 0.000 2.057 238 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 238 R C 0.692 177.209 176.300 0.362 0.000 1.136 238 R CA 0.304 56.600 56.100 0.327 0.000 0.952 238 R CB -0.587 29.863 30.300 0.250 0.000 0.848 238 R HN 0.456 nan 8.270 nan 0.000 0.430 239 F N 3.239 123.311 119.950 0.203 0.000 2.590 239 F HA -0.034 4.493 4.527 -0.000 0.000 0.389 239 F C 0.470 176.402 175.800 0.220 0.000 1.049 239 F CA 0.116 58.222 58.000 0.178 0.000 1.199 239 F CB 0.124 39.192 39.000 0.114 0.000 1.058 239 F HN 0.176 nan 8.300 nan 0.000 0.556 240 R N 3.213 123.435 120.500 -0.464 0.000 3.264 240 R HA -0.190 4.150 4.340 -0.000 0.000 0.251 240 R C -0.036 176.327 176.300 0.106 0.000 0.971 240 R CA 0.304 56.255 56.100 -0.249 0.000 0.658 240 R CB -1.881 28.034 30.300 -0.642 0.000 1.095 240 R HN 0.734 nan 8.270 nan 0.000 0.443 241 A N 1.090 124.046 122.820 0.227 0.000 2.483 241 A HA 0.245 4.565 4.320 -0.000 0.000 0.238 241 A C 0.364 178.145 177.584 0.329 0.000 1.070 241 A CA -0.176 52.028 52.037 0.279 0.000 0.770 241 A CB 0.165 19.325 19.000 0.268 0.000 1.008 241 A HN 0.394 nan 8.150 nan 0.000 0.497 242 F N 2.349 122.391 119.950 0.154 0.000 2.545 242 F HA 0.438 4.965 4.527 -0.000 0.000 0.348 242 F C 1.081 176.883 175.800 0.003 0.000 1.163 242 F CA 1.289 59.364 58.000 0.125 0.000 1.331 242 F CB 0.132 39.152 39.000 0.033 0.000 1.138 242 F HN 1.508 nan 8.300 nan 0.000 0.602 243 G N 2.876 110.852 108.800 -1.374 0.000 2.593 243 G HA2 0.119 4.079 3.960 -0.000 0.000 0.237 243 G HA3 0.119 4.079 3.960 -0.000 0.000 0.237 243 G C -0.195 174.263 174.900 -0.737 0.000 1.312 243 G CA -0.503 43.623 45.100 -1.623 0.000 0.896 243 G HN 1.532 nan 8.290 nan 0.000 0.574 244 G N -1.391 107.048 108.800 -0.602 0.000 2.417 244 G HA2 0.675 4.634 3.960 -0.000 0.000 0.334 244 G HA3 0.675 4.634 3.960 -0.000 0.000 0.334 244 G C -0.398 174.411 174.900 -0.151 0.000 1.150 244 G CA 0.650 45.797 45.100 0.078 0.000 0.923 244 G HN 1.101 nan 8.290 nan 0.000 0.485 245 T N 3.791 118.252 114.554 -0.155 0.000 2.947 245 T HA 0.326 4.675 4.350 -0.000 0.000 0.337 245 T C -1.691 172.395 174.700 -1.023 0.000 1.139 245 T CA -0.952 60.827 62.100 -0.536 0.000 0.992 245 T CB 1.981 70.701 68.868 -0.246 0.000 1.043 245 T HN 0.195 nan 8.240 nan 0.000 0.498 246 P HA -0.156 nan 4.420 nan 0.000 0.217 246 P C 1.832 178.707 177.300 -0.709 0.000 1.151 246 P CA 0.953 63.094 63.100 -1.598 0.000 0.849 246 P CB 0.075 31.114 31.700 -1.100 0.000 0.787 247 G N -1.011 107.407 108.800 -0.636 0.000 2.442 247 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 247 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 247 G C 1.426 176.417 174.900 0.151 0.000 1.141 247 G CA 0.880 45.743 45.100 -0.394 0.000 0.763 247 G HN 0.336 nan 8.290 nan 0.000 0.554 248 H N -0.674 118.568 119.070 0.286 0.000 2.395 248 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 248 H C 2.414 178.094 175.328 0.586 0.000 1.070 248 H CA 1.017 57.314 56.048 0.414 0.000 1.356 248 H CB -0.228 29.787 29.762 0.422 0.000 1.401 248 H HN 0.460 nan 8.280 nan 0.000 0.524 249 W N 0.884 122.419 121.300 0.391 0.000 2.333 249 W HA -0.130 4.530 4.660 -0.000 0.000 0.316 249 W C 2.498 179.189 176.519 0.287 0.000 1.215 249 W CA 0.140 57.679 57.345 0.325 0.000 1.278 249 W CB -1.495 28.070 29.460 0.175 0.000 1.154 249 W HN 0.113 nan 8.180 nan 0.000 0.486 250 I N 0.740 121.551 120.570 0.402 0.000 2.361 250 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 250 I C 2.198 178.474 176.117 0.265 0.000 1.133 250 I CA 1.663 63.115 61.300 0.254 0.000 1.413 250 I CB -0.485 37.543 38.000 0.047 0.000 1.073 250 I HN 0.011 nan 8.210 nan 0.000 0.424 251 E N -0.979 119.394 120.200 0.289 0.000 2.047 251 E HA -0.256 4.094 4.350 -0.000 0.000 0.191 251 E C 2.075 178.771 176.600 0.159 0.000 0.987 251 E CA 1.628 58.141 56.400 0.188 0.000 0.799 251 E CB -0.376 29.413 29.700 0.148 0.000 0.752 251 E HN 0.550 nan 8.360 nan 0.000 0.449 252 W N 0.923 122.323 121.300 0.166 0.000 2.331 252 W HA -0.147 4.513 4.660 -0.000 0.000 0.291 252 W C 2.432 179.013 176.519 0.104 0.000 1.214 252 W CA 1.185 58.607 57.345 0.129 0.000 1.228 252 W CB -0.508 29.053 29.460 0.168 0.000 1.135 252 W HN 0.170 nan 8.180 nan 0.000 0.537 253 G N -0.117 108.890 108.800 0.346 0.000 2.421 253 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 253 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 253 G C 1.453 176.396 174.900 0.072 0.000 1.171 253 G CA 1.134 46.350 45.100 0.193 0.000 0.775 253 G HN 0.220 nan 8.290 nan 0.000 0.543 254 R N -0.009 120.525 120.500 0.058 0.000 2.073 254 R HA 0.062 4.402 4.340 -0.000 0.000 0.234 254 R C 2.622 178.875 176.300 -0.079 0.000 1.134 254 R CA 1.092 57.148 56.100 -0.072 0.000 0.952 254 R CB -0.425 29.864 30.300 -0.018 0.000 0.850 254 R HN 0.375 nan 8.270 nan 0.000 0.433 255 L N 0.229 121.502 121.223 0.084 0.000 2.043 255 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 255 L C 2.635 179.576 176.870 0.118 0.000 1.075 255 L CA 1.557 56.491 54.840 0.156 0.000 0.752 255 L CB -0.352 41.717 42.059 0.017 0.000 0.891 255 L HN 0.354 nan 8.230 nan 0.000 0.432 256 M N -0.903 118.759 119.600 0.103 0.000 2.374 256 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 256 M C 2.109 178.383 176.300 -0.044 0.000 1.067 256 M CA 1.360 56.690 55.300 0.050 0.000 1.103 256 M CB -0.126 32.521 32.600 0.078 0.000 1.402 256 M HN 0.289 nan 8.290 nan 0.000 0.444 257 L N -1.392 119.763 121.223 -0.112 0.000 2.240 257 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 257 L C 2.442 179.235 176.870 -0.127 0.000 1.106 257 L CA 0.585 55.303 54.840 -0.204 0.000 0.793 257 L CB -0.811 41.045 42.059 -0.339 0.000 0.927 257 L HN 0.349 nan 8.230 nan 0.000 0.446 258 H N 0.079 119.142 119.070 -0.013 0.000 2.389 258 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 258 H C 2.369 177.702 175.328 0.008 0.000 1.081 258 H CA 1.393 57.448 56.048 0.011 0.000 1.345 258 H CB 0.107 29.877 29.762 0.012 0.000 1.393 258 H HN 0.325 nan 8.280 nan 0.000 0.520 259 I N 0.237 120.866 120.570 0.098 0.000 2.142 259 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 259 I C 2.803 178.899 176.117 -0.035 0.000 1.078 259 I CA 1.328 62.626 61.300 -0.004 0.000 1.343 259 I CB -0.498 37.477 38.000 -0.042 0.000 1.046 259 I HN 0.313 nan 8.210 nan 0.000 0.405 260 H N 1.829 120.812 119.070 -0.145 0.000 2.319 260 H HA -0.224 4.332 4.556 -0.000 0.000 0.297 260 H C 2.124 177.384 175.328 -0.113 0.000 1.097 260 H CA 2.220 58.167 56.048 -0.168 0.000 1.285 260 H CB 0.100 29.745 29.762 -0.195 0.000 1.368 260 H HN 0.349 nan 8.280 nan 0.000 0.495 261 A N 0.974 123.878 122.820 0.140 0.000 1.930 261 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 261 A C 2.759 180.361 177.584 0.032 0.000 1.175 261 A CA 1.581 53.676 52.037 0.097 0.000 0.627 261 A CB -0.934 18.133 19.000 0.112 0.000 0.815 261 A HN 0.592 nan 8.150 nan 0.000 0.443 262 A N -0.207 122.633 122.820 0.032 0.000 1.933 262 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 262 A C 2.133 179.699 177.584 -0.029 0.000 1.175 262 A CA 1.425 53.486 52.037 0.041 0.000 0.628 262 A CB -0.518 18.470 19.000 -0.020 0.000 0.814 262 A HN 0.470 nan 8.150 nan 0.000 0.444 263 L N -0.898 120.255 121.223 -0.117 0.000 2.109 263 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 263 L C 2.580 179.371 176.870 -0.131 0.000 1.086 263 L CA 1.375 56.129 54.840 -0.144 0.000 0.760 263 L CB -0.528 41.405 42.059 -0.210 0.000 0.910 263 L HN 0.453 nan 8.230 nan 0.000 0.437 264 E N 0.267 120.370 120.200 -0.162 0.000 2.106 264 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 264 E C 2.323 178.888 176.600 -0.059 0.000 0.984 264 E CA 1.030 57.353 56.400 -0.129 0.000 0.806 264 E CB -0.143 29.472 29.700 -0.142 0.000 0.750 264 E HN 0.475 nan 8.360 nan 0.000 0.458 265 A N 2.153 124.958 122.820 -0.025 0.000 1.986 265 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 265 A C 2.004 179.581 177.584 -0.011 0.000 1.171 265 A CA 1.657 53.697 52.037 0.004 0.000 0.640 265 A CB -0.592 18.434 19.000 0.044 0.000 0.811 265 A HN 0.248 nan 8.150 nan 0.000 0.451 266 R N -1.741 118.747 120.500 -0.021 0.000 2.702 266 R HA 0.361 4.701 4.340 -0.000 0.000 0.314 266 R C -0.157 176.121 176.300 -0.036 0.000 1.152 266 R CA 0.244 56.326 56.100 -0.030 0.000 1.097 266 R CB -1.344 28.944 30.300 -0.021 0.000 1.343 266 R HN 0.301 nan 8.270 nan 0.000 0.575 267 C N 0.952 120.228 119.300 -0.041 0.000 4.235 267 C HA -0.139 4.321 4.460 -0.000 0.000 0.301 267 C C 0.130 175.087 174.990 -0.054 0.000 1.409 267 C CA 1.118 60.110 59.018 -0.044 0.000 2.024 267 C CB -2.336 25.385 27.740 -0.031 0.000 1.286 267 C HN 0.815 nan 8.230 nan 0.000 0.746 268 E N 0.048 120.203 120.200 -0.074 0.000 2.220 268 E HA 0.270 4.620 4.350 -0.000 0.000 0.256 268 E C 0.085 176.612 176.600 -0.121 0.000 0.881 268 E CA -0.351 55.999 56.400 -0.084 0.000 0.766 268 E CB 0.813 30.466 29.700 -0.079 0.000 1.187 268 E HN 0.558 nan 8.360 nan 0.000 0.419 269 Q N 6.108 125.844 119.800 -0.108 0.000 2.275 269 Q HA 0.045 4.385 4.340 -0.000 0.000 0.293 269 Q C -1.911 173.986 176.000 -0.172 0.000 1.129 269 Q CA -1.023 54.702 55.803 -0.131 0.000 0.971 269 Q CB 0.527 29.213 28.738 -0.086 0.000 1.098 269 Q HN 0.322 nan 8.270 nan 0.000 0.386 270 P HA 0.180 nan 4.420 nan 0.000 0.271 270 P C -2.582 174.577 177.300 -0.236 0.000 1.218 270 P CA -1.318 61.592 63.100 -0.317 0.000 0.780 270 P CB 0.176 31.523 31.700 -0.589 0.000 0.901 271 P HA 0.012 nan 4.420 nan 0.000 0.264 271 P C 0.887 178.027 177.300 -0.266 0.000 1.193 271 P CA 0.248 63.220 63.100 -0.214 0.000 0.763 271 P CB 0.195 31.731 31.700 -0.274 0.000 0.810 272 A N 5.027 127.799 122.820 -0.081 0.000 2.024 272 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 272 A C 1.742 179.324 177.584 -0.003 0.000 1.164 272 A CA 1.101 53.125 52.037 -0.022 0.000 0.643 272 A CB -1.334 17.692 19.000 0.043 0.000 0.806 272 A HN 0.844 nan 8.150 nan 0.000 0.451 273 W N -0.141 121.137 121.300 -0.037 0.000 2.468 273 W HA -0.072 4.588 4.660 -0.000 0.000 0.262 273 W C 1.152 177.673 176.519 0.004 0.000 1.241 273 W CA 0.694 58.020 57.345 -0.031 0.000 1.232 273 W CB -1.053 28.264 29.460 -0.239 0.000 1.124 273 W HN 0.267 nan 8.180 nan 0.000 0.597 274 L N 0.762 121.636 121.223 -0.580 0.000 1.994 274 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 274 L C 2.804 179.572 176.870 -0.170 0.000 1.071 274 L CA 1.338 55.886 54.840 -0.487 0.000 0.745 274 L CB -1.107 40.651 42.059 -0.501 0.000 0.892 274 L HN 0.022 nan 8.230 nan 0.000 0.431 275 L N -0.126 121.009 121.223 -0.147 0.000 2.027 275 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 275 L C 2.409 179.235 176.870 -0.073 0.000 1.074 275 L CA 1.689 56.427 54.840 -0.169 0.000 0.745 275 L CB -0.605 41.339 42.059 -0.191 0.000 0.898 275 L HN 0.218 nan 8.230 nan 0.000 0.433 276 E N -0.394 119.815 120.200 0.016 0.000 2.070 276 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 276 E C 1.721 178.352 176.600 0.051 0.000 1.004 276 E CA 1.568 58.012 56.400 0.073 0.000 0.805 276 E CB -0.275 29.532 29.700 0.177 0.000 0.744 276 E HN 0.560 nan 8.360 nan 0.000 0.451 277 D N 0.326 120.820 120.400 0.157 0.000 2.183 277 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 277 D C 1.851 178.119 176.300 -0.055 0.000 0.969 277 D CA 1.094 55.188 54.000 0.157 0.000 0.842 277 D CB -0.227 40.845 40.800 0.453 0.000 0.957 277 D HN 0.171 nan 8.370 nan 0.000 0.484 278 A N 1.163 123.969 122.820 -0.023 0.000 1.902 278 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 278 A C 2.074 179.617 177.584 -0.068 0.000 1.181 278 A CA 1.387 53.401 52.037 -0.037 0.000 0.623 278 A CB -0.325 18.612 19.000 -0.105 0.000 0.818 278 A HN 0.124 nan 8.150 nan 0.000 0.443 279 K N -0.718 119.617 120.400 -0.108 0.000 2.026 279 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 279 K C 2.176 178.715 176.600 -0.102 0.000 1.048 279 K CA 1.169 57.428 56.287 -0.046 0.000 0.929 279 K CB -0.531 31.960 32.500 -0.016 0.000 0.713 279 K HN 0.452 nan 8.250 nan 0.000 0.439 280 G N 1.537 110.054 108.800 -0.471 0.000 2.446 280 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 280 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 280 G C 1.503 176.046 174.900 -0.594 0.000 1.168 280 G CA 0.811 45.309 45.100 -1.003 0.000 0.771 280 G HN 0.094 nan 8.290 nan 0.000 0.551 281 L N -0.927 120.045 121.223 -0.417 0.000 2.046 281 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 281 L C 2.574 179.554 176.870 0.184 0.000 1.077 281 L CA 1.150 56.007 54.840 0.028 0.000 0.747 281 L CB -0.468 41.683 42.059 0.155 0.000 0.896 281 L HN 0.247 nan 8.230 nan 0.000 0.432 282 F N 1.298 121.263 119.950 0.024 0.000 2.102 282 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 282 F C 2.410 178.250 175.800 0.066 0.000 1.105 282 F CA 2.074 60.116 58.000 0.071 0.000 1.239 282 F CB -0.235 38.808 39.000 0.072 0.000 0.991 282 F HN 0.118 nan 8.300 nan 0.000 0.474 283 N N 0.428 119.294 118.700 0.277 0.000 2.120 283 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 283 N C 1.817 177.396 175.510 0.116 0.000 1.024 283 N CA 1.587 54.744 53.050 0.177 0.000 0.852 283 N CB -0.425 38.161 38.487 0.166 0.000 1.003 283 N HN 0.324 nan 8.380 nan 0.000 0.424 284 A N -0.787 122.128 122.820 0.158 0.000 1.972 284 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 284 A C 2.262 180.064 177.584 0.363 0.000 1.169 284 A CA 1.972 54.157 52.037 0.246 0.000 0.635 284 A CB -1.118 17.996 19.000 0.189 0.000 0.810 284 A HN 0.439 nan 8.150 nan 0.000 0.446 285 T N -0.045 114.675 114.554 0.277 0.000 2.737 285 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 285 T C 2.033 176.691 174.700 -0.070 0.000 1.038 285 T CA 2.010 64.165 62.100 0.092 0.000 1.144 285 T CB -0.737 68.066 68.868 -0.109 0.000 0.866 285 T HN 0.630 nan 8.240 nan 0.000 0.434 286 V N 0.896 120.689 119.914 -0.201 0.000 2.427 286 V HA -0.034 4.085 4.120 -0.000 0.000 0.248 286 V C 2.428 178.554 176.094 0.053 0.000 1.051 286 V CA 1.611 63.792 62.300 -0.199 0.000 1.048 286 V CB -0.845 30.613 31.823 -0.608 0.000 0.666 286 V HN 0.282 nan 8.190 nan 0.000 0.456 287 R N 0.497 121.043 120.500 0.077 0.000 2.083 287 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 287 R C 1.994 178.371 176.300 0.128 0.000 1.137 287 R CA 2.521 58.697 56.100 0.128 0.000 0.951 287 R CB -0.310 30.073 30.300 0.138 0.000 0.851 287 R HN 0.688 nan 8.270 nan 0.000 0.434 288 D N -1.158 119.327 120.400 0.143 0.000 2.394 288 D HA 0.052 4.692 4.640 -0.000 0.000 0.226 288 D C 1.335 177.648 176.300 0.021 0.000 0.990 288 D CA 0.962 55.026 54.000 0.107 0.000 0.902 288 D CB 0.163 41.076 40.800 0.188 0.000 1.038 288 D HN 0.332 nan 8.370 nan 0.000 0.499 289 A N 0.062 122.871 122.820 -0.019 0.000 2.147 289 A HA 0.021 4.341 4.320 -0.000 0.000 0.211 289 A C 0.618 178.191 177.584 -0.019 0.000 1.160 289 A CA -0.328 51.647 52.037 -0.104 0.000 0.781 289 A CB -0.211 18.632 19.000 -0.262 0.000 0.842 289 A HN 0.297 nan 8.150 nan 0.000 0.475 290 W N 0.556 121.790 121.300 -0.110 0.000 2.331 290 W HA 0.406 5.066 4.660 -0.000 0.000 0.306 290 W C 0.353 176.885 176.519 0.022 0.000 1.162 290 W CA -0.444 56.878 57.345 -0.038 0.000 1.232 290 W CB 0.512 29.997 29.460 0.042 0.000 1.235 290 W HN 0.615 nan 8.180 nan 0.000 0.479 291 A N 6.495 128.757 122.820 -0.930 0.000 2.596 291 A HA -0.247 4.073 4.320 -0.000 0.000 0.300 291 A C -1.463 175.917 177.584 -0.340 0.000 1.495 291 A CA 1.053 52.621 52.037 -0.783 0.000 0.769 291 A CB -1.645 16.726 19.000 -1.048 0.000 1.047 291 A HN 0.623 nan 8.150 nan 0.000 0.436 292 P HA 0.057 nan 4.420 nan 0.000 0.235 292 P C 0.143 177.386 177.300 -0.096 0.000 1.177 292 P CA 1.318 64.353 63.100 -0.109 0.000 0.785 292 P CB 0.070 31.724 31.700 -0.075 0.000 0.885 293 D N -1.290 119.036 120.400 -0.123 0.000 2.772 293 D HA 0.328 4.968 4.640 -0.000 0.000 0.272 293 D C 1.139 177.385 176.300 -0.091 0.000 1.314 293 D CA -0.527 53.417 54.000 -0.093 0.000 0.835 293 D CB -0.483 40.264 40.800 -0.088 0.000 1.080 293 D HN 0.153 nan 8.370 nan 0.000 0.482 294 G N -1.091 107.652 108.800 -0.096 0.000 2.157 294 G HA2 0.087 4.047 3.960 -0.000 0.000 0.248 294 G HA3 0.087 4.047 3.960 -0.000 0.000 0.248 294 G C 0.279 175.123 174.900 -0.094 0.000 0.979 294 G CA -0.042 45.011 45.100 -0.079 0.000 0.650 294 G HN 1.087 nan 8.290 nan 0.000 0.529 295 A N -0.891 121.842 122.820 -0.144 0.000 2.606 295 A HA 0.684 5.004 4.320 -0.000 0.000 0.293 295 A C -0.822 176.596 177.584 -0.275 0.000 1.082 295 A CA -0.215 51.728 52.037 -0.157 0.000 0.685 295 A CB 0.991 19.908 19.000 -0.137 0.000 1.284 295 A HN 0.098 nan 8.150 nan 0.000 0.408 296 D N -0.194 120.053 120.400 -0.255 0.000 2.358 296 D HA 0.596 5.236 4.640 -0.000 0.000 0.244 296 D C 0.677 176.679 176.300 -0.497 0.000 1.163 296 D CA 1.652 55.360 54.000 -0.487 0.000 0.945 296 D CB 1.134 41.907 40.800 -0.045 0.000 1.152 296 D HN 1.556 nan 8.370 nan 0.000 0.451 297 G N -0.563 107.646 108.800 -0.984 0.000 2.440 297 G HA2 0.000 3.960 3.960 -0.000 0.000 0.684 297 G HA3 0.000 3.960 3.960 -0.000 0.000 0.684 297 G C -1.377 173.319 174.900 -0.340 0.000 1.309 297 G CA -0.968 43.736 45.100 -0.660 0.000 0.931 297 G HN 0.321 nan 8.290 nan 0.000 0.612 298 I N 2.036 122.479 120.570 -0.211 0.000 2.307 298 I HA 0.372 4.541 4.170 -0.000 0.000 0.289 298 I C 1.513 177.491 176.117 -0.231 0.000 1.021 298 I CA -0.598 60.593 61.300 -0.182 0.000 1.224 298 I CB 0.488 38.308 38.000 -0.299 0.000 1.376 298 I HN 0.825 nan 8.210 nan 0.000 0.470 299 V N 4.952 124.741 119.914 -0.208 0.000 3.484 299 V HA -0.038 4.082 4.120 -0.000 0.000 0.304 299 V C 1.015 176.996 176.094 -0.189 0.000 1.116 299 V CA 0.286 62.483 62.300 -0.172 0.000 1.187 299 V CB 0.309 32.041 31.823 -0.151 0.000 1.062 299 V HN 0.700 nan 8.190 nan 0.000 0.489 300 Y N 1.594 121.730 120.300 -0.273 0.000 2.201 300 Y HA 0.211 4.761 4.550 -0.000 0.000 0.292 300 Y C 1.532 177.257 175.900 -0.291 0.000 1.119 300 Y CA 1.367 59.284 58.100 -0.304 0.000 1.127 300 Y CB -0.041 38.297 38.460 -0.203 0.000 1.019 300 Y HN 1.059 nan 8.280 nan 0.000 0.514 301 T N -0.953 113.474 114.554 -0.212 0.000 2.906 301 T HA 0.650 5.000 4.350 -0.000 0.000 0.295 301 T C -1.003 173.571 174.700 -0.211 0.000 1.075 301 T CA -0.200 61.728 62.100 -0.287 0.000 1.005 301 T CB 1.652 70.417 68.868 -0.171 0.000 1.136 301 T HN 0.317 nan 8.240 nan 0.000 0.498 302 V N -0.857 118.909 119.914 -0.245 0.000 3.049 302 V HA 0.797 4.917 4.120 -0.000 0.000 0.309 302 V C -0.684 175.240 176.094 -0.283 0.000 1.148 302 V CA -1.246 60.954 62.300 -0.167 0.000 0.990 302 V CB 1.564 33.335 31.823 -0.086 0.000 1.039 302 V HN 1.160 nan 8.190 nan 0.000 0.430 303 D N 1.096 121.379 120.400 -0.195 0.000 2.425 303 D HA 0.184 4.824 4.640 -0.000 0.000 0.274 303 D C 0.454 176.547 176.300 -0.344 0.000 1.242 303 D CA -0.436 53.353 54.000 -0.352 0.000 1.060 303 D CB 0.307 41.129 40.800 0.038 0.000 1.112 303 D HN 0.711 nan 8.370 nan 0.000 0.561 304 W N -1.661 119.689 121.300 0.084 0.000 3.204 304 W HA 0.159 4.819 4.660 -0.000 0.000 0.249 304 W C 1.359 177.927 176.519 0.082 0.000 1.322 304 W CA -0.256 57.127 57.345 0.065 0.000 1.593 304 W CB 0.185 29.680 29.460 0.058 0.000 1.122 304 W HN 0.403 nan 8.180 nan 0.000 0.710 305 E N -0.600 119.733 120.200 0.223 0.000 2.473 305 E HA 0.158 4.508 4.350 -0.000 0.000 0.204 305 E C 1.791 178.455 176.600 0.108 0.000 0.994 305 E CA 0.727 57.215 56.400 0.147 0.000 0.945 305 E CB 0.475 30.240 29.700 0.109 0.000 0.990 305 E HN 0.065 nan 8.360 nan 0.000 0.493 306 G N 1.351 110.224 108.800 0.121 0.000 2.157 306 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.239 306 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.239 306 G C 0.226 175.163 174.900 0.063 0.000 0.982 306 G CA 0.309 45.483 45.100 0.124 0.000 0.650 306 G HN 0.202 nan 8.290 nan 0.000 0.527 307 K N 1.318 121.741 120.400 0.039 0.000 2.258 307 K HA 0.489 4.809 4.320 -0.000 0.000 0.284 307 K C -2.344 174.250 176.600 -0.010 0.000 1.051 307 K CA -2.024 54.273 56.287 0.016 0.000 0.923 307 K CB 0.947 33.462 32.500 0.024 0.000 1.046 307 K HN -0.007 nan 8.250 nan 0.000 0.474 308 P HA -0.114 nan 4.420 nan 0.000 0.262 308 P C -0.175 177.111 177.300 -0.025 0.000 1.182 308 P CA -0.134 62.938 63.100 -0.047 0.000 0.761 308 P CB 0.959 32.625 31.700 -0.056 0.000 0.795 309 V N 3.574 123.476 119.914 -0.020 0.000 2.784 309 V HA 0.033 4.153 4.120 -0.000 0.000 0.231 309 V C 0.705 176.811 176.094 0.019 0.000 1.128 309 V CA 0.588 62.899 62.300 0.018 0.000 1.178 309 V CB -0.049 31.817 31.823 0.071 0.000 0.943 309 V HN 0.175 nan 8.190 nan 0.000 0.500 310 V N 2.447 122.385 119.914 0.039 0.000 2.368 310 V HA 0.281 4.400 4.120 -0.000 0.000 0.266 310 V C 1.112 177.222 176.094 0.026 0.000 1.045 310 V CA -0.011 62.326 62.300 0.062 0.000 0.899 310 V CB 0.711 32.637 31.823 0.172 0.000 1.006 310 V HN 0.384 nan 8.190 nan 0.000 0.470 311 R N 1.890 122.382 120.500 -0.013 0.000 2.317 311 R HA 0.124 4.464 4.340 -0.000 0.000 0.208 311 R C 0.089 176.351 176.300 -0.063 0.000 0.914 311 R CA -0.198 55.874 56.100 -0.047 0.000 1.060 311 R CB 0.374 30.640 30.300 -0.057 0.000 1.015 311 R HN 0.622 nan 8.270 nan 0.000 0.498 312 E N 1.998 122.163 120.200 -0.058 0.000 2.413 312 E HA -0.013 4.337 4.350 -0.000 0.000 0.263 312 E C -0.116 176.422 176.600 -0.103 0.000 1.015 312 E CA 0.326 56.673 56.400 -0.088 0.000 0.916 312 E CB 0.505 30.137 29.700 -0.114 0.000 0.947 312 E HN 0.011 nan 8.360 nan 0.000 0.440 313 R N 2.511 122.954 120.500 -0.096 0.000 2.230 313 R HA 0.258 4.598 4.340 -0.000 0.000 0.337 313 R C -0.645 175.593 176.300 -0.103 0.000 1.063 313 R CA -0.534 55.508 56.100 -0.097 0.000 0.935 313 R CB -0.160 30.122 30.300 -0.030 0.000 1.121 313 R HN 0.191 nan 8.270 nan 0.000 0.486 314 V N 3.517 123.311 119.914 -0.200 0.000 2.881 314 V HA 0.080 4.200 4.120 -0.000 0.000 0.303 314 V C 2.104 178.074 176.094 -0.207 0.000 1.070 314 V CA -0.351 61.809 62.300 -0.234 0.000 1.074 314 V CB 1.448 33.022 31.823 -0.415 0.000 1.012 314 V HN 0.765 nan 8.190 nan 0.000 0.482 315 R N 2.990 123.457 120.500 -0.054 0.000 2.073 315 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 315 R C 2.244 178.504 176.300 -0.068 0.000 1.134 315 R CA 2.464 58.591 56.100 0.045 0.000 0.952 315 R CB -0.184 30.220 30.300 0.174 0.000 0.850 315 R HN 0.962 nan 8.270 nan 0.000 0.433 316 W N 0.541 121.728 121.300 -0.187 0.000 2.374 316 W HA -0.001 4.659 4.660 -0.000 0.000 0.288 316 W C -1.368 174.957 176.519 -0.324 0.000 1.218 316 W CA 0.330 57.432 57.345 -0.405 0.000 1.245 316 W CB -1.875 27.020 29.460 -0.942 0.000 1.126 316 W HN 0.125 nan 8.180 nan 0.000 0.545 317 P HA -0.195 nan 4.420 nan 0.000 0.215 317 P C 2.122 179.159 177.300 -0.439 0.000 1.157 317 P CA 2.149 64.814 63.100 -0.724 0.000 0.868 317 P CB -0.382 30.733 31.700 -0.976 0.000 0.788 318 I N -1.113 119.209 120.570 -0.415 0.000 2.546 318 I HA -0.156 4.014 4.170 -0.000 0.000 0.255 318 I C 1.735 177.656 176.117 -0.327 0.000 1.163 318 I CA 1.004 62.013 61.300 -0.485 0.000 1.457 318 I CB -0.057 37.727 38.000 -0.360 0.000 1.092 318 I HN -0.222 nan 8.210 nan 0.000 0.434 319 V N 1.186 121.004 119.914 -0.161 0.000 2.295 319 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 319 V C 2.492 178.577 176.094 -0.014 0.000 1.049 319 V CA 1.801 64.040 62.300 -0.101 0.000 1.024 319 V CB -0.669 31.080 31.823 -0.125 0.000 0.648 319 V HN 0.425 nan 8.190 nan 0.000 0.447 320 E N 0.280 120.504 120.200 0.040 0.000 2.072 320 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 320 E C 2.377 179.011 176.600 0.057 0.000 0.985 320 E CA 1.401 57.886 56.400 0.140 0.000 0.801 320 E CB -0.603 29.242 29.700 0.242 0.000 0.750 320 E HN 0.552 nan 8.360 nan 0.000 0.452 321 A N 1.017 123.737 122.820 -0.167 0.000 1.948 321 A HA -0.205 4.114 4.320 -0.000 0.000 0.220 321 A C 2.272 179.899 177.584 0.072 0.000 1.177 321 A CA 1.800 53.640 52.037 -0.329 0.000 0.636 321 A CB -0.527 17.770 19.000 -1.171 0.000 0.815 321 A HN 0.189 nan 8.150 nan 0.000 0.449 322 M N -0.978 118.704 119.600 0.136 0.000 2.156 322 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 322 M C 2.328 178.995 176.300 0.611 0.000 1.067 322 M CA 1.282 56.911 55.300 0.549 0.000 1.131 322 M CB -0.476 32.298 32.600 0.290 0.000 1.368 322 M HN 0.508 nan 8.290 nan 0.000 0.416 323 G N -0.314 108.726 108.800 0.400 0.000 2.418 323 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 323 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 323 G C 1.448 176.550 174.900 0.336 0.000 1.158 323 G CA 1.518 46.844 45.100 0.376 0.000 0.771 323 G HN 0.374 nan 8.290 nan 0.000 0.545 324 T N 1.712 116.439 114.554 0.290 0.000 2.777 324 T HA 0.047 4.396 4.350 -0.000 0.000 0.266 324 T C 2.810 177.622 174.700 0.187 0.000 1.040 324 T CA 1.390 63.620 62.100 0.216 0.000 1.141 324 T CB -0.364 68.686 68.868 0.302 0.000 0.868 324 T HN 0.373 nan 8.240 nan 0.000 0.444 325 A N 0.803 123.918 122.820 0.492 0.000 1.940 325 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 325 A C 2.097 179.830 177.584 0.249 0.000 1.176 325 A CA 1.737 54.057 52.037 0.472 0.000 0.631 325 A CB -1.019 18.567 19.000 0.976 0.000 0.814 325 A HN 0.609 nan 8.150 nan 0.000 0.446 326 Y N 0.589 120.976 120.300 0.145 0.000 2.163 326 Y HA -0.040 4.510 4.550 -0.000 0.000 0.288 326 Y C 2.620 178.355 175.900 -0.275 0.000 1.136 326 Y CA 1.165 59.092 58.100 -0.289 0.000 1.147 326 Y CB -0.713 37.618 38.460 -0.215 0.000 0.987 326 Y HN 0.303 nan 8.280 nan 0.000 0.509 327 A N 0.673 123.301 122.820 -0.320 0.000 1.865 327 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 327 A C 2.368 179.632 177.584 -0.534 0.000 1.191 327 A CA 2.041 53.801 52.037 -0.462 0.000 0.623 327 A CB -1.292 17.524 19.000 -0.307 0.000 0.826 327 A HN 0.564 nan 8.150 nan 0.000 0.444 328 L N -2.102 118.773 121.223 -0.581 0.000 2.046 328 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 328 L C 2.617 179.103 176.870 -0.640 0.000 1.077 328 L CA 1.938 56.283 54.840 -0.826 0.000 0.747 328 L CB -0.609 40.470 42.059 -1.633 0.000 0.896 328 L HN 0.648 nan 8.230 nan 0.000 0.432 329 Y N 0.640 120.604 120.300 -0.560 0.000 2.181 329 Y HA -0.294 4.256 4.550 -0.000 0.000 0.288 329 Y C 2.603 178.294 175.900 -0.348 0.000 1.146 329 Y CA 2.190 60.146 58.100 -0.240 0.000 1.164 329 Y CB -0.517 37.849 38.460 -0.155 0.000 0.982 329 Y HN 0.045 nan 8.280 nan 0.000 0.515 330 T N -0.334 113.882 114.554 -0.563 0.000 2.788 330 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 330 T C 1.922 176.354 174.700 -0.447 0.000 1.044 330 T CA 1.712 63.467 62.100 -0.576 0.000 1.139 330 T CB -0.548 67.892 68.868 -0.715 0.000 0.867 330 T HN 0.241 nan 8.240 nan 0.000 0.454 331 V N 1.572 121.230 119.914 -0.426 0.000 2.426 331 V HA -0.066 4.054 4.120 -0.000 0.000 0.242 331 V C 2.913 178.835 176.094 -0.286 0.000 1.036 331 V CA 1.896 63.992 62.300 -0.341 0.000 1.044 331 V CB -0.801 30.768 31.823 -0.423 0.000 0.688 331 V HN 0.670 nan 8.190 nan 0.000 0.462 332 T N -2.757 111.624 114.554 -0.288 0.000 3.044 332 T HA 0.234 4.584 4.350 -0.000 0.000 0.255 332 T C 1.713 176.293 174.700 -0.201 0.000 1.073 332 T CA 1.189 63.183 62.100 -0.176 0.000 1.125 332 T CB 0.481 69.325 68.868 -0.041 0.000 0.908 332 T HN 0.971 nan 8.240 nan 0.000 0.480 333 G N 1.493 110.061 108.800 -0.386 0.000 2.184 333 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.264 333 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.264 333 G C -0.131 174.640 174.900 -0.214 0.000 0.975 333 G CA 0.208 45.006 45.100 -0.503 0.000 0.642 333 G HN 0.721 nan 8.290 nan 0.000 0.536 334 D N 0.529 120.921 120.400 -0.014 0.000 2.363 334 D HA 0.204 4.844 4.640 -0.000 0.000 0.263 334 D C 1.843 178.279 176.300 0.227 0.000 1.258 334 D CA -0.434 53.609 54.000 0.072 0.000 0.907 334 D CB 0.386 41.191 40.800 0.008 0.000 1.107 334 D HN 0.206 nan 8.370 nan 0.000 0.495 335 R N 2.970 123.582 120.500 0.186 0.000 2.193 335 R HA -0.139 4.201 4.340 -0.000 0.000 0.229 335 R C 1.745 178.091 176.300 0.076 0.000 1.110 335 R CA 0.725 56.958 56.100 0.222 0.000 0.988 335 R CB -0.038 30.326 30.300 0.106 0.000 0.871 335 R HN 0.671 nan 8.270 nan 0.000 0.458 336 Q N -0.635 119.134 119.800 -0.052 0.000 2.181 336 Q HA -0.170 4.169 4.340 -0.000 0.000 0.205 336 Q C 1.601 177.586 176.000 -0.025 0.000 0.980 336 Q CA 1.504 57.221 55.803 -0.144 0.000 0.862 336 Q CB -0.173 28.427 28.738 -0.229 0.000 0.905 336 Q HN 0.503 nan 8.270 nan 0.000 0.429 337 Y N 0.366 120.779 120.300 0.189 0.000 2.293 337 Y HA -0.220 4.330 4.550 -0.000 0.000 0.291 337 Y C 2.390 178.465 175.900 0.292 0.000 1.137 337 Y CA 1.058 59.296 58.100 0.230 0.000 1.202 337 Y CB 0.087 38.622 38.460 0.125 0.000 0.990 337 Y HN 0.217 nan 8.280 nan 0.000 0.537 338 E N -0.084 120.306 120.200 0.317 0.000 2.072 338 E HA -0.158 4.191 4.350 -0.000 0.000 0.190 338 E C 1.861 178.362 176.600 -0.165 0.000 0.982 338 E CA 1.667 58.053 56.400 -0.024 0.000 0.803 338 E CB -0.015 29.511 29.700 -0.291 0.000 0.755 338 E HN 0.305 nan 8.360 nan 0.000 0.453 339 T N -0.122 114.304 114.554 -0.213 0.000 2.720 339 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 339 T C 1.102 175.502 174.700 -0.499 0.000 1.037 339 T CA 1.534 63.391 62.100 -0.405 0.000 1.144 339 T CB -0.428 68.164 68.868 -0.460 0.000 0.864 339 T HN 0.399 nan 8.240 nan 0.000 0.444 340 W N 0.074 121.139 121.300 -0.392 0.000 2.381 340 W HA -0.034 4.626 4.660 -0.000 0.000 0.301 340 W C 2.224 178.281 176.519 -0.769 0.000 1.205 340 W CA 0.312 57.133 57.345 -0.874 0.000 1.285 340 W CB -0.486 28.465 29.460 -0.847 0.000 1.133 340 W HN 0.237 nan 8.180 nan 0.000 0.521 341 Y N 1.521 121.800 120.300 -0.035 0.000 2.128 341 Y HA -0.358 4.192 4.550 -0.000 0.000 0.284 341 Y C 2.263 178.209 175.900 0.077 0.000 1.154 341 Y CA 2.384 60.608 58.100 0.207 0.000 1.149 341 Y CB -0.688 37.886 38.460 0.190 0.000 0.976 341 Y HN 0.047 nan 8.280 nan 0.000 0.505 342 Q N -1.129 118.514 119.800 -0.262 0.000 2.083 342 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 342 Q C 2.161 177.997 176.000 -0.273 0.000 0.969 342 Q CA 1.975 57.455 55.803 -0.540 0.000 0.838 342 Q CB -0.276 27.866 28.738 -0.994 0.000 0.900 342 Q HN 0.400 nan 8.270 nan 0.000 0.436 343 T N 0.238 114.584 114.554 -0.347 0.000 2.684 343 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 343 T C 1.130 175.835 174.700 0.009 0.000 1.036 343 T CA 1.173 63.111 62.100 -0.269 0.000 1.148 343 T CB -0.216 68.298 68.868 -0.591 0.000 0.863 343 T HN 0.402 nan 8.240 nan 0.000 0.436 344 W N -0.092 121.192 121.300 -0.026 0.000 2.402 344 W HA 0.123 4.783 4.660 -0.000 0.000 0.286 344 W C 1.990 178.583 176.519 0.124 0.000 1.221 344 W CA -0.622 56.727 57.345 0.006 0.000 1.257 344 W CB -1.295 28.098 29.460 -0.112 0.000 1.120 344 W HN 0.400 nan 8.180 nan 0.000 0.551 345 W N 0.886 122.318 121.300 0.221 0.000 2.402 345 W HA -0.149 4.510 4.660 -0.000 0.000 0.286 345 W C 2.293 178.914 176.519 0.171 0.000 1.221 345 W CA 0.723 58.177 57.345 0.181 0.000 1.257 345 W CB -0.027 29.522 29.460 0.148 0.000 1.120 345 W HN -0.282 nan 8.180 nan 0.000 0.551 346 E N -0.556 119.893 120.200 0.414 0.000 2.077 346 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 346 E C 1.616 178.396 176.600 0.301 0.000 0.989 346 E CA 1.376 57.945 56.400 0.281 0.000 0.800 346 E CB -1.043 28.771 29.700 0.189 0.000 0.746 346 E HN 0.499 nan 8.360 nan 0.000 0.452 347 Y N 0.730 121.218 120.300 0.313 0.000 2.163 347 Y HA -0.238 4.311 4.550 -0.000 0.000 0.288 347 Y C 2.527 178.629 175.900 0.337 0.000 1.136 347 Y CA 1.566 59.912 58.100 0.409 0.000 1.147 347 Y CB -0.426 38.361 38.460 0.545 0.000 0.987 347 Y HN 0.007 nan 8.280 nan 0.000 0.509 348 C N 0.411 119.978 119.300 0.444 0.000 2.413 348 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 348 C C 2.741 177.681 174.990 -0.082 0.000 1.236 348 C CA 1.494 60.620 59.018 0.180 0.000 1.735 348 C CB -1.413 26.418 27.740 0.152 0.000 2.031 348 C HN 0.749 nan 8.230 nan 0.000 0.474 349 I N 0.504 121.107 120.570 0.056 0.000 2.614 349 I HA -0.173 3.997 4.170 -0.000 0.000 0.258 349 I C 2.466 178.527 176.117 -0.095 0.000 1.189 349 I CA 1.427 62.712 61.300 -0.025 0.000 1.462 349 I CB -0.382 37.669 38.000 0.085 0.000 1.092 349 I HN 0.357 nan 8.210 nan 0.000 0.442 350 K N -0.085 120.220 120.400 -0.159 0.000 2.098 350 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 350 K C 1.314 177.622 176.600 -0.486 0.000 1.051 350 K CA 1.517 57.577 56.287 -0.378 0.000 0.957 350 K CB -0.034 32.115 32.500 -0.585 0.000 0.738 350 K HN 0.376 nan 8.250 nan 0.000 0.447 351 Y N -0.713 119.442 120.300 -0.242 0.000 2.430 351 Y HA 0.220 4.770 4.550 -0.000 0.000 0.254 351 Y C 1.511 177.391 175.900 -0.034 0.000 1.088 351 Y CA -0.353 57.630 58.100 -0.196 0.000 1.267 351 Y CB 0.608 38.828 38.460 -0.400 0.000 1.204 351 Y HN -0.091 nan 8.280 nan 0.000 0.515 352 L N -0.871 120.382 121.223 0.050 0.000 2.362 352 L HA 0.201 4.541 4.340 -0.000 0.000 0.204 352 L C 0.594 177.356 176.870 -0.180 0.000 1.060 352 L CA 0.153 55.054 54.840 0.101 0.000 0.827 352 L CB 0.063 42.220 42.059 0.162 0.000 1.027 352 L HN 0.071 nan 8.230 nan 0.000 0.474 353 M N 1.307 120.552 119.600 -0.592 0.000 2.246 353 M HA -0.007 4.473 4.480 -0.000 0.000 0.350 353 M C -0.554 175.399 176.300 -0.578 0.000 1.406 353 M CA 0.514 55.284 55.300 -0.883 0.000 1.089 353 M CB 0.220 32.264 32.600 -0.927 0.000 1.782 353 M HN -0.082 nan 8.290 nan 0.000 0.457 354 D N 2.857 122.857 120.400 -0.666 0.000 2.462 354 D HA 0.173 4.813 4.640 -0.000 0.000 0.249 354 D C 0.018 176.067 176.300 -0.419 0.000 1.117 354 D CA -0.219 53.417 54.000 -0.608 0.000 0.900 354 D CB 0.307 40.462 40.800 -1.075 0.000 1.039 354 D HN 0.457 nan 8.370 nan 0.000 0.516 355 Y N 1.247 121.444 120.300 -0.171 0.000 2.439 355 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 355 Y C 2.248 178.106 175.900 -0.070 0.000 1.130 355 Y CA 0.691 58.731 58.100 -0.100 0.000 1.254 355 Y CB 0.437 38.858 38.460 -0.065 0.000 1.000 355 Y HN 0.421 nan 8.280 nan 0.000 0.554 356 E N 0.320 120.560 120.200 0.067 0.000 2.028 356 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 356 E C 1.394 178.010 176.600 0.025 0.000 0.984 356 E CA 1.300 57.734 56.400 0.057 0.000 0.800 356 E CB 0.053 29.799 29.700 0.076 0.000 0.758 356 E HN 0.400 nan 8.360 nan 0.000 0.448 357 N N -0.302 118.363 118.700 -0.059 0.000 2.325 357 N HA 0.129 4.869 4.740 -0.000 0.000 0.182 357 N C 0.163 175.681 175.510 0.013 0.000 1.088 357 N CA 0.894 53.928 53.050 -0.028 0.000 0.879 357 N CB 1.490 39.928 38.487 -0.083 0.000 0.983 357 N HN 0.242 nan 8.380 nan 0.000 0.471 358 G N 0.614 109.358 108.800 -0.094 0.000 2.617 358 G HA2 0.018 3.977 3.960 -0.000 0.000 0.686 358 G HA3 0.018 3.977 3.960 -0.000 0.000 0.686 358 G C -0.122 174.470 174.900 -0.514 0.000 1.214 358 G CA -0.185 44.874 45.100 -0.069 0.000 0.796 358 G HN 0.292 nan 8.290 nan 0.000 0.654 359 S N -1.069 114.286 115.700 -0.575 0.000 3.330 359 S HA -0.166 4.304 4.470 -0.000 0.000 0.630 359 S C 0.186 174.662 174.600 -0.206 0.000 2.776 359 S CA 2.146 59.980 58.200 -0.610 0.000 3.494 359 S CB -1.068 61.226 63.200 -1.510 0.000 0.291 359 S HN 2.025 nan 8.310 nan 0.000 1.451 360 W N -0.031 120.951 121.300 -0.531 0.000 2.799 360 W HA 0.672 5.332 4.660 -0.000 0.000 0.349 360 W C -0.393 175.959 176.519 -0.277 0.000 1.100 360 W CA -1.127 56.004 57.345 -0.357 0.000 1.174 360 W CB -0.069 29.298 29.460 -0.155 0.000 1.427 360 W HN 0.695 nan 8.180 nan 0.000 0.547 361 W N 1.183 122.573 121.300 0.151 0.000 2.079 361 W HA 0.137 4.797 4.660 -0.000 0.000 0.354 361 W C 1.725 178.322 176.519 0.129 0.000 1.302 361 W CA -0.043 57.364 57.345 0.103 0.000 1.281 361 W CB 0.460 29.965 29.460 0.075 0.000 1.165 361 W HN 0.327 nan 8.180 nan 0.000 0.603 362 Q N 0.618 120.662 119.800 0.406 0.000 2.259 362 Q HA 0.050 4.390 4.340 -0.000 0.000 0.201 362 Q C -0.278 175.827 176.000 0.174 0.000 0.938 362 Q CA 1.235 57.190 55.803 0.253 0.000 0.872 362 Q CB 0.421 29.297 28.738 0.230 0.000 0.971 362 Q HN 0.513 nan 8.270 nan 0.000 0.494 363 E N -0.708 119.579 120.200 0.145 0.000 2.352 363 E HA 0.459 4.809 4.350 -0.000 0.000 0.280 363 E C -1.661 174.937 176.600 -0.004 0.000 0.930 363 E CA -0.466 55.958 56.400 0.040 0.000 0.765 363 E CB 1.007 30.703 29.700 -0.007 0.000 1.219 363 E HN 0.204 nan 8.360 nan 0.000 0.434 364 L N 2.365 123.571 121.223 -0.029 0.000 2.323 364 L HA 0.510 4.849 4.340 -0.000 0.000 0.265 364 L C -0.119 176.704 176.870 -0.078 0.000 1.012 364 L CA -1.166 53.634 54.840 -0.067 0.000 0.820 364 L CB 1.525 43.554 42.059 -0.049 0.000 1.334 364 L HN 0.651 nan 8.230 nan 0.000 0.427 365 D N 0.756 121.102 120.400 -0.089 0.000 2.414 365 D HA 0.196 4.836 4.640 -0.000 0.000 0.259 365 D C 0.985 177.232 176.300 -0.088 0.000 1.269 365 D CA -0.137 53.815 54.000 -0.081 0.000 1.028 365 D CB 0.609 41.365 40.800 -0.074 0.000 1.093 365 D HN 0.557 nan 8.370 nan 0.000 0.545 366 A N -0.802 121.969 122.820 -0.082 0.000 2.178 366 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 366 A C 1.144 178.664 177.584 -0.107 0.000 1.157 366 A CA 1.084 53.065 52.037 -0.092 0.000 0.689 366 A CB -0.490 18.463 19.000 -0.078 0.000 0.787 366 A HN 0.513 nan 8.150 nan 0.000 0.465 367 D N -0.146 120.191 120.400 -0.105 0.000 2.368 367 D HA 0.054 4.694 4.640 -0.000 0.000 0.218 367 D C -0.222 175.976 176.300 -0.169 0.000 1.112 367 D CA -0.063 53.869 54.000 -0.113 0.000 0.834 367 D CB -0.028 40.726 40.800 -0.075 0.000 0.953 367 D HN 0.341 nan 8.370 nan 0.000 0.505 368 N N 1.018 119.600 118.700 -0.198 0.000 2.776 368 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 368 N C -0.351 175.052 175.510 -0.179 0.000 1.112 368 N CA 0.779 53.649 53.050 -0.300 0.000 0.733 368 N CB -1.120 36.886 38.487 -0.802 0.000 1.097 368 N HN 0.374 nan 8.380 nan 0.000 0.558 369 K N 0.388 120.717 120.400 -0.119 0.000 2.138 369 K HA 0.516 4.836 4.320 -0.000 0.000 0.263 369 K C 0.421 176.920 176.600 -0.168 0.000 0.965 369 K CA -0.693 55.532 56.287 -0.104 0.000 0.868 369 K CB 1.977 34.427 32.500 -0.083 0.000 1.083 369 K HN -0.156 nan 8.250 nan 0.000 0.443 370 V N 2.358 122.105 119.914 -0.278 0.000 2.763 370 V HA 0.029 4.149 4.120 -0.000 0.000 0.306 370 V C 0.481 176.394 176.094 -0.301 0.000 1.059 370 V CA 0.224 62.257 62.300 -0.446 0.000 1.138 370 V CB 0.729 31.980 31.823 -0.953 0.000 0.940 370 V HN 0.995 nan 8.190 nan 0.000 0.489 371 T N 0.700 115.112 114.554 -0.237 0.000 2.906 371 T HA 0.800 5.150 4.350 -0.000 0.000 0.295 371 T C -0.412 174.234 174.700 -0.091 0.000 1.061 371 T CA -0.269 61.750 62.100 -0.134 0.000 1.000 371 T CB 2.086 70.904 68.868 -0.082 0.000 1.103 371 T HN 0.877 nan 8.240 nan 0.000 0.486 378 K N 1.765 122.318 120.400 0.255 0.000 3.206 378 K HA 0.176 4.496 4.320 -0.000 0.000 0.180 378 K C 0.964 177.625 176.600 0.102 0.000 1.088 378 K CA -0.366 56.023 56.287 0.170 0.000 0.872 378 K CB 1.346 33.947 32.500 0.168 0.000 0.976 378 K HN 0.472 nan 8.250 nan 0.000 0.564 379 Q N 0.029 119.731 119.800 -0.163 0.000 2.515 379 Q HA -0.046 4.294 4.340 -0.000 0.000 0.212 379 Q C -0.508 175.320 176.000 -0.287 0.000 0.970 379 Q CA 0.952 56.475 55.803 -0.467 0.000 0.941 379 Q CB -0.065 27.768 28.738 -1.508 0.000 0.998 379 Q HN 0.334 nan 8.270 nan 0.000 0.518 380 D N -0.074 120.268 120.400 -0.096 0.000 2.671 380 D HA 0.439 5.079 4.640 -0.000 0.000 0.232 380 D C 0.338 176.626 176.300 -0.020 0.000 1.114 380 D CA -0.720 53.263 54.000 -0.027 0.000 0.858 380 D CB 1.282 42.144 40.800 0.103 0.000 1.544 380 D HN 0.104 nan 8.370 nan 0.000 0.471 381 I N 0.319 120.868 120.570 -0.035 0.000 4.670 381 I HA 0.220 4.390 4.170 -0.000 0.000 0.339 381 I C 1.021 177.056 176.117 -0.136 0.000 1.310 381 I CA -0.527 60.708 61.300 -0.107 0.000 1.288 381 I CB -0.097 37.864 38.000 -0.064 0.000 1.427 381 I HN 0.399 nan 8.210 nan 0.000 0.494 382 Y N 2.791 122.968 120.300 -0.206 0.000 2.128 382 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 382 Y C 2.574 178.243 175.900 -0.386 0.000 1.154 382 Y CA 2.058 60.005 58.100 -0.255 0.000 1.149 382 Y CB -0.636 37.649 38.460 -0.292 0.000 0.976 382 Y HN 0.187 nan 8.280 nan 0.000 0.505 383 H N 0.385 118.992 119.070 -0.771 0.000 2.387 383 H HA -0.118 4.437 4.556 -0.000 0.000 0.299 383 H C 2.344 177.296 175.328 -0.626 0.000 1.090 383 H CA 1.877 57.430 56.048 -0.825 0.000 1.332 383 H CB -0.309 29.280 29.762 -0.289 0.000 1.386 383 H HN 0.421 nan 8.280 nan 0.000 0.516 384 L N 0.588 121.578 121.223 -0.390 0.000 2.187 384 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 384 L C 2.401 179.105 176.870 -0.277 0.000 1.100 384 L CA 0.583 55.169 54.840 -0.423 0.000 0.765 384 L CB -0.341 41.394 42.059 -0.541 0.000 0.904 384 L HN 0.214 nan 8.230 nan 0.000 0.437 385 L N -1.346 119.696 121.223 -0.302 0.000 2.291 385 L HA -0.169 4.171 4.340 -0.000 0.000 0.214 385 L C 2.172 179.063 176.870 0.036 0.000 1.120 385 L CA 0.893 55.653 54.840 -0.133 0.000 0.799 385 L CB -0.716 41.286 42.059 -0.094 0.000 0.925 385 L HN 0.401 nan 8.230 nan 0.000 0.446 386 H N -0.961 118.091 119.070 -0.031 0.000 2.524 386 H HA -0.100 4.456 4.556 -0.000 0.000 0.282 386 H C 2.085 177.489 175.328 0.126 0.000 1.016 386 H CA 1.022 57.100 56.048 0.051 0.000 1.270 386 H CB 0.222 30.001 29.762 0.028 0.000 1.394 386 H HN 0.574 nan 8.280 nan 0.000 0.568 387 C N -1.366 118.065 119.300 0.218 0.000 3.336 387 C HA 0.380 4.840 4.460 -0.000 0.000 0.291 387 C C 1.579 176.843 174.990 0.457 0.000 1.363 387 C CA -0.608 58.599 59.018 0.316 0.000 1.737 387 C CB -0.668 27.148 27.740 0.127 0.000 2.274 387 C HN 0.375 nan 8.230 nan 0.000 0.663 388 L N 0.222 121.614 121.223 0.281 0.000 2.526 388 L HA 0.232 4.572 4.340 -0.000 0.000 0.210 388 L C 2.403 179.358 176.870 0.141 0.000 1.048 388 L CA 0.596 55.587 54.840 0.252 0.000 0.852 388 L CB -0.028 42.084 42.059 0.088 0.000 1.128 388 L HN 0.169 nan 8.230 nan 0.000 0.482 389 V N -0.496 119.479 119.914 0.102 0.000 2.690 389 V HA -0.005 4.115 4.120 -0.000 0.000 0.240 389 V C 2.183 178.315 176.094 0.064 0.000 1.078 389 V CA 0.580 62.926 62.300 0.078 0.000 1.102 389 V CB 0.407 32.280 31.823 0.084 0.000 0.800 389 V HN 0.191 nan 8.190 nan 0.000 0.479 390 I N 0.973 121.603 120.570 0.101 0.000 2.185 390 I HA -0.205 3.965 4.170 -0.000 0.000 0.246 390 I C -0.555 175.385 176.117 -0.294 0.000 1.088 390 I CA 1.947 63.291 61.300 0.075 0.000 1.347 390 I CB -1.085 37.039 38.000 0.208 0.000 1.041 390 I HN 0.361 nan 8.210 nan 0.000 0.415 391 P HA -0.075 nan 4.420 nan 0.000 0.239 391 P C 0.917 177.848 177.300 -0.615 0.000 1.184 391 P CA 1.106 63.444 63.100 -1.270 0.000 0.760 391 P CB -0.031 31.520 31.700 -0.248 0.000 0.884 392 R N -0.797 119.579 120.500 -0.206 0.000 2.308 392 R HA 0.280 4.620 4.340 -0.000 0.000 0.202 392 R C 1.058 177.398 176.300 0.066 0.000 0.898 392 R CA 0.183 56.281 56.100 -0.003 0.000 1.046 392 R CB 0.160 30.484 30.300 0.039 0.000 1.026 392 R HN 0.296 nan 8.270 nan 0.000 0.512 393 I N -1.967 118.653 120.570 0.083 0.000 3.002 393 I HA 0.604 4.774 4.170 -0.000 0.000 0.310 393 I C -2.691 173.573 176.117 0.245 0.000 1.087 393 I CA -3.168 58.224 61.300 0.153 0.000 1.017 393 I CB 2.037 40.116 38.000 0.132 0.000 1.226 393 I HN -0.289 nan 8.210 nan 0.000 0.443 394 P HA 0.173 nan 4.420 nan 0.000 0.273 394 P C 0.448 177.872 177.300 0.207 0.000 1.250 394 P CA -0.321 62.887 63.100 0.179 0.000 0.793 394 P CB 1.295 33.068 31.700 0.121 0.000 1.011 395 L N -0.628 120.689 121.223 0.157 0.000 2.465 395 L HA 0.082 4.422 4.340 -0.000 0.000 0.224 395 L C 1.185 178.221 176.870 0.276 0.000 1.145 395 L CA 0.770 55.737 54.840 0.212 0.000 0.834 395 L CB -0.386 41.684 42.059 0.018 0.000 0.944 395 L HN 0.416 nan 8.230 nan 0.000 0.451 396 A N -0.121 122.808 122.820 0.181 0.000 2.427 396 A HA 0.678 4.997 4.320 -0.000 0.000 0.298 396 A C -2.432 175.234 177.584 0.136 0.000 1.036 396 A CA -1.067 51.070 52.037 0.166 0.000 0.701 396 A CB 1.136 20.221 19.000 0.141 0.000 1.250 396 A HN -0.189 nan 8.150 nan 0.000 0.412 397 P HA 0.388 nan 4.420 nan 0.000 0.307 397 P C 0.762 178.137 177.300 0.126 0.000 1.306 397 P CA -0.018 63.172 63.100 0.150 0.000 0.742 397 P CB 0.332 32.115 31.700 0.137 0.000 1.349 398 G N -0.823 108.032 108.800 0.092 0.000 2.750 398 G HA2 0.014 3.974 3.960 -0.000 0.000 0.250 398 G HA3 0.014 3.974 3.960 -0.000 0.000 0.250 398 G C 1.022 175.955 174.900 0.054 0.000 1.230 398 G CA -0.208 44.901 45.100 0.015 0.000 0.883 398 G HN 0.596 nan 8.290 nan 0.000 0.573 399 M N 1.009 120.640 119.600 0.051 0.000 2.255 399 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 399 M C 2.739 179.090 176.300 0.085 0.000 1.069 399 M CA 2.755 58.116 55.300 0.101 0.000 1.089 399 M CB -0.443 32.249 32.600 0.154 0.000 1.269 399 M HN 0.600 nan 8.290 nan 0.000 0.434 400 A N 0.175 123.045 122.820 0.084 0.000 1.873 400 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 400 A C -0.294 177.317 177.584 0.045 0.000 1.193 400 A CA 2.073 54.135 52.037 0.043 0.000 0.629 400 A CB -2.269 16.755 19.000 0.040 0.000 0.826 400 A HN 0.480 nan 8.150 nan 0.000 0.447 401 P HA -0.131 nan 4.420 nan 0.000 0.215 401 P C 1.784 179.115 177.300 0.052 0.000 1.153 401 P CA 2.028 65.154 63.100 0.042 0.000 0.853 401 P CB -0.138 31.587 31.700 0.043 0.000 0.788 402 A N -0.703 122.158 122.820 0.069 0.000 1.902 402 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 402 A C 2.314 179.938 177.584 0.067 0.000 1.181 402 A CA 1.873 53.956 52.037 0.076 0.000 0.623 402 A CB -1.714 17.345 19.000 0.098 0.000 0.818 402 A HN 0.032 nan 8.150 nan 0.000 0.443 403 V N -0.230 119.723 119.914 0.064 0.000 2.427 403 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 403 V C 2.983 179.104 176.094 0.045 0.000 1.051 403 V CA 1.769 64.104 62.300 0.058 0.000 1.048 403 V CB -1.142 30.716 31.823 0.058 0.000 0.666 403 V HN 0.600 nan 8.190 nan 0.000 0.456 404 A N -0.030 122.814 122.820 0.039 0.000 2.015 404 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 404 A C 2.203 179.804 177.584 0.028 0.000 1.163 404 A CA 1.595 53.650 52.037 0.030 0.000 0.646 404 A CB -0.466 18.550 19.000 0.027 0.000 0.806 404 A HN 0.570 nan 8.150 nan 0.000 0.448 405 A N -1.584 121.257 122.820 0.034 0.000 2.238 405 A HA 0.424 4.744 4.320 -0.000 0.000 0.208 405 A C 1.623 179.229 177.584 0.036 0.000 1.177 405 A CA 1.047 53.104 52.037 0.033 0.000 0.804 405 A CB -0.942 18.082 19.000 0.040 0.000 0.823 405 A HN 1.849 nan 8.150 nan 0.000 0.482 406 G N -0.840 107.983 108.800 0.039 0.000 2.182 406 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 406 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 406 G C 0.466 175.395 174.900 0.048 0.000 1.042 406 G CA 0.366 45.490 45.100 0.040 0.000 0.775 406 G HN 0.489 nan 8.290 nan 0.000 0.501 407 L N -0.749 120.509 121.223 0.057 0.000 2.592 407 L HA 0.326 4.666 4.340 -0.000 0.000 0.227 407 L C 1.458 178.373 176.870 0.074 0.000 1.127 407 L CA -0.519 54.361 54.840 0.067 0.000 0.884 407 L CB 0.046 42.151 42.059 0.077 0.000 1.065 407 L HN 0.301 nan 8.230 nan 0.000 0.457 408 L N 1.420 122.684 121.223 0.068 0.000 2.584 408 L HA -0.052 4.288 4.340 -0.000 0.000 0.272 408 L C 0.493 177.406 176.870 0.071 0.000 1.195 408 L CA 1.007 55.889 54.840 0.070 0.000 0.920 408 L CB -0.322 41.775 42.059 0.063 0.000 1.173 408 L HN 0.218 nan 8.230 nan 0.000 0.489 409 D N 2.541 122.989 120.400 0.081 0.000 3.046 409 D HA -0.304 4.336 4.640 -0.000 0.000 0.210 409 D C 1.410 177.764 176.300 0.090 0.000 1.124 409 D CA 1.217 55.270 54.000 0.089 0.000 0.986 409 D CB -1.175 39.671 40.800 0.075 0.000 1.118 409 D HN 0.595 nan 8.370 nan 0.000 0.416 410 I N 0.986 121.608 120.570 0.087 0.000 2.300 410 I HA -0.258 3.912 4.170 -0.000 0.000 0.252 410 I C 1.396 177.565 176.117 0.087 0.000 1.119 410 I CA 1.868 63.216 61.300 0.080 0.000 1.384 410 I CB 0.012 38.059 38.000 0.077 0.000 1.062 410 I HN 0.085 nan 8.210 nan 0.000 0.426 411 N N 0.402 119.167 118.700 0.108 0.000 2.236 411 N HA 0.284 5.024 4.740 -0.000 0.000 0.196 411 N C 0.383 175.972 175.510 0.131 0.000 1.114 411 N CA 0.600 53.720 53.050 0.116 0.000 0.859 411 N CB 0.189 38.756 38.487 0.134 0.000 0.982 411 N HN 0.365 nan 8.380 nan 0.000 0.493 412 A N 0.789 123.686 122.820 0.129 0.000 2.286 412 A HA 0.603 4.923 4.320 -0.000 0.000 0.286 412 A C 0.335 177.984 177.584 0.108 0.000 1.097 412 A CA -0.006 52.113 52.037 0.136 0.000 0.821 412 A CB 1.008 20.091 19.000 0.138 0.000 1.076 412 A HN 0.072 nan 8.150 nan 0.000 0.490 413 K N 0.000 120.465 120.400 0.109 0.000 2.780 413 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 413 K CA 0.000 56.339 56.287 0.087 0.000 0.838 413 K CB 0.000 32.550 32.500 0.084 0.000 1.064 413 K HN 0.000 nan 8.250 nan 0.000 0.543