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 2q97_1_A DATA FIRST_RESID 6 DATA SEQUENCE TALVCDNGSG LVKAGFAGDD APRAVFPSIV GRPRXXXXXX XXXXXXSYVG DATA SEQUENCE DEAQSKRGIL TLKYPIEXGI ITNWDDMEKI WHHTFYNELR VAPEEHPTLL DATA SEQUENCE TEAPLNPKAN REKMTQIMFE TFNVPAMYVA IQAVLSLYAS GRTTGIVLDS DATA SEQUENCE GDGVTHNVPI YEGYALPHAI MRLDLAGRDL TDYLMKILTE RGYSFVTTAE DATA SEQUENCE REIVRDIKEK LCYVALDFEN EMATAASSSS LEKSYELPDG QVITIGNERF DATA SEQUENCE RCPETLFQPS FIGMESAGIH ETTYNSIMKC DIDIRKDLYA NNVMSGGTTM DATA SEQUENCE YPGIADRMQK EITALAPSTM KIKIIAPPER KYSVWIGGSI LASLSTFQQM DATA SEQUENCE WITKQEYDEA GPSIVH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.895 174.700 0.325 0.000 1.109 6 T CA 0.000 62.247 62.100 0.245 0.000 1.349 6 T CB 0.000 68.991 68.868 0.205 0.000 0.612 7 A N 1.571 124.525 122.820 0.223 0.000 2.331 7 A HA 0.742 5.062 4.320 -0.000 0.000 0.283 7 A C -0.088 177.607 177.584 0.186 0.000 1.142 7 A CA -0.470 51.667 52.037 0.167 0.000 0.812 7 A CB -0.123 19.023 19.000 0.242 0.000 1.074 7 A HN 0.735 nan 8.150 nan 0.000 0.497 8 L N 1.934 123.216 121.223 0.099 0.000 2.375 8 L HA 0.490 4.830 4.340 -0.000 0.000 0.271 8 L C -0.647 176.256 176.870 0.056 0.000 1.107 8 L CA -0.663 54.182 54.840 0.008 0.000 0.806 8 L CB 1.329 43.370 42.059 -0.029 0.000 1.146 8 L HN 0.403 nan 8.230 nan 0.000 0.447 9 V N 1.652 121.582 119.914 0.026 0.000 2.380 9 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 9 V C -0.573 175.609 176.094 0.146 0.000 1.015 9 V CA -0.532 61.755 62.300 -0.022 0.000 0.834 9 V CB 1.638 33.210 31.823 -0.418 0.000 1.009 9 V HN 0.879 nan 8.190 nan 0.000 0.428 10 C N 4.278 123.646 119.300 0.113 0.000 2.301 10 C HA 0.663 5.123 4.460 -0.000 0.000 0.323 10 C C -0.472 174.627 174.990 0.180 0.000 1.265 10 C CA -0.331 58.787 59.018 0.167 0.000 1.503 10 C CB 0.505 28.303 27.740 0.097 0.000 2.195 10 C HN 0.940 nan 8.230 nan 0.000 0.477 11 D N 4.649 125.184 120.400 0.225 0.000 2.454 11 D HA 0.259 4.899 4.640 -0.000 0.000 0.225 11 D C -0.383 175.975 176.300 0.096 0.000 1.081 11 D CA -0.020 54.082 54.000 0.170 0.000 0.864 11 D CB 0.486 41.423 40.800 0.227 0.000 1.040 11 D HN 0.623 nan 8.370 nan 0.000 0.517 12 N N 3.085 121.838 118.700 0.089 0.000 2.482 12 N HA 0.320 5.060 4.740 -0.000 0.000 0.242 12 N C 0.315 175.812 175.510 -0.022 0.000 1.100 12 N CA -0.252 52.809 53.050 0.019 0.000 0.946 12 N CB 1.457 39.986 38.487 0.070 0.000 1.227 12 N HN 0.397 nan 8.380 nan 0.000 0.508 13 G N 0.033 108.797 108.800 -0.060 0.000 2.462 13 G HA2 0.238 4.197 3.960 -0.000 0.000 0.319 13 G HA3 0.238 4.197 3.960 -0.000 0.000 0.319 13 G C 0.666 175.519 174.900 -0.078 0.000 1.171 13 G CA -0.561 44.503 45.100 -0.059 0.000 0.920 13 G HN 0.345 nan 8.290 nan 0.000 0.499 14 S N 0.003 115.663 115.700 -0.066 0.000 2.423 14 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 14 S C 2.097 176.680 174.600 -0.029 0.000 1.014 14 S CA 1.194 59.355 58.200 -0.064 0.000 0.965 14 S CB 0.108 63.254 63.200 -0.091 0.000 0.785 14 S HN 0.808 nan 8.310 nan 0.000 0.495 15 G N 0.053 108.826 108.800 -0.044 0.000 2.720 15 G HA2 0.469 4.429 3.960 -0.000 0.000 0.204 15 G HA3 0.469 4.429 3.960 -0.000 0.000 0.204 15 G C 0.148 175.018 174.900 -0.050 0.000 1.113 15 G CA -0.182 44.913 45.100 -0.008 0.000 0.805 15 G HN 0.346 nan 8.290 nan 0.000 0.536 16 L N 1.277 122.435 121.223 -0.109 0.000 2.436 16 L HA 0.498 4.838 4.340 -0.000 0.000 0.268 16 L C -0.976 175.752 176.870 -0.238 0.000 0.974 16 L CA -0.914 53.819 54.840 -0.178 0.000 0.826 16 L CB 3.047 45.039 42.059 -0.112 0.000 1.291 16 L HN -0.215 nan 8.230 nan 0.000 0.406 17 V N 2.785 122.419 119.914 -0.467 0.000 2.465 17 V HA 0.350 4.469 4.120 -0.000 0.000 0.279 17 V C -0.230 175.720 176.094 -0.239 0.000 1.045 17 V CA -0.535 61.509 62.300 -0.428 0.000 0.938 17 V CB 1.512 32.864 31.823 -0.784 0.000 0.986 17 V HN 0.567 nan 8.190 nan 0.000 0.467 18 K N 3.846 124.225 120.400 -0.035 0.000 2.450 18 K HA 0.802 5.122 4.320 -0.000 0.000 0.257 18 K C -0.499 176.164 176.600 0.105 0.000 0.953 18 K CA 0.047 56.341 56.287 0.013 0.000 0.844 18 K CB 1.933 34.485 32.500 0.087 0.000 1.103 18 K HN 0.858 nan 8.250 nan 0.000 0.429 19 A N 1.582 124.408 122.820 0.010 0.000 2.454 19 A HA 0.966 5.286 4.320 -0.000 0.000 0.302 19 A C -0.318 177.269 177.584 0.005 0.000 1.079 19 A CA -0.202 51.912 52.037 0.127 0.000 0.731 19 A CB 1.730 20.775 19.000 0.074 0.000 1.299 19 A HN 0.708 nan 8.150 nan 0.000 0.413 20 G N -0.734 108.169 108.800 0.172 0.000 2.335 20 G HA2 0.508 4.468 3.960 -0.000 0.000 0.291 20 G HA3 0.508 4.468 3.960 -0.000 0.000 0.291 20 G C -1.754 173.117 174.900 -0.048 0.000 1.261 20 G CA -0.648 44.458 45.100 0.009 0.000 0.871 20 G HN 0.638 nan 8.290 nan 0.000 0.491 21 F N 1.525 121.710 119.950 0.392 0.000 2.458 21 F HA 0.679 5.206 4.527 -0.000 0.000 0.336 21 F C 0.979 176.911 175.800 0.221 0.000 1.114 21 F CA -0.200 57.934 58.000 0.224 0.000 0.987 21 F CB 2.112 41.188 39.000 0.125 0.000 1.130 21 F HN 0.673 nan 8.300 nan 0.000 0.458 22 A N 2.126 125.095 122.820 0.247 0.000 2.567 22 A HA 0.404 4.723 4.320 -0.000 0.000 0.240 22 A C 1.281 178.944 177.584 0.131 0.000 1.053 22 A CA 0.920 53.006 52.037 0.081 0.000 0.755 22 A CB -0.749 18.311 19.000 0.100 0.000 0.978 22 A HN 1.582 nan 8.150 nan 0.000 0.507 23 G N 2.110 110.947 108.800 0.061 0.000 2.258 23 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.233 23 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.233 23 G C 0.081 175.065 174.900 0.139 0.000 1.006 23 G CA 0.391 45.539 45.100 0.081 0.000 0.620 23 G HN 0.849 nan 8.290 nan 0.000 0.511 24 D N 0.773 121.324 120.400 0.253 0.000 2.368 24 D HA 0.465 5.105 4.640 -0.000 0.000 0.240 24 D C 0.875 177.392 176.300 0.362 0.000 1.169 24 D CA -0.144 54.040 54.000 0.307 0.000 0.906 24 D CB 0.608 41.661 40.800 0.421 0.000 1.187 24 D HN 0.120 nan 8.370 nan 0.000 0.435 25 D N -0.403 120.131 120.400 0.224 0.000 2.339 25 D HA 0.350 4.990 4.640 -0.000 0.000 0.217 25 D C -0.231 176.153 176.300 0.141 0.000 1.050 25 D CA 0.200 54.313 54.000 0.189 0.000 0.856 25 D CB 0.324 41.177 40.800 0.087 0.000 0.922 25 D HN 0.344 nan 8.370 nan 0.000 0.518 26 A N 0.110 122.914 122.820 -0.026 0.000 2.597 26 A HA 0.560 4.880 4.320 -0.000 0.000 0.292 26 A C -2.794 174.109 177.584 -1.136 0.000 1.057 26 A CA -1.233 50.501 52.037 -0.506 0.000 0.674 26 A CB 0.836 19.576 19.000 -0.433 0.000 1.278 26 A HN -0.217 nan 8.150 nan 0.000 0.416 27 P HA 0.320 nan 4.420 nan 0.000 0.271 27 P C 0.012 176.939 177.300 -0.622 0.000 1.233 27 P CA -0.029 62.196 63.100 -1.459 0.000 0.789 27 P CB 0.513 31.474 31.700 -1.231 0.000 0.951 28 R N -0.155 120.135 120.500 -0.349 0.000 2.397 28 R HA 0.473 4.813 4.340 -0.000 0.000 0.241 28 R C -0.021 176.219 176.300 -0.099 0.000 0.914 28 R CA 0.050 56.060 56.100 -0.150 0.000 1.071 28 R CB 0.604 30.903 30.300 -0.002 0.000 1.116 28 R HN 0.486 nan 8.270 nan 0.000 0.524 29 A N 0.861 123.618 122.820 -0.105 0.000 2.497 29 A HA 0.495 4.815 4.320 -0.000 0.000 0.280 29 A C -1.093 176.553 177.584 0.103 0.000 1.065 29 A CA -0.509 51.544 52.037 0.027 0.000 0.781 29 A CB 1.424 20.454 19.000 0.050 0.000 1.289 29 A HN -0.035 nan 8.150 nan 0.000 0.415 30 V N 2.976 122.976 119.914 0.142 0.000 2.540 30 V HA 0.867 4.987 4.120 -0.000 0.000 0.302 30 V C -0.705 175.548 176.094 0.265 0.000 1.035 30 V CA -0.493 61.891 62.300 0.140 0.000 0.873 30 V CB 0.916 32.795 31.823 0.093 0.000 0.992 30 V HN 1.161 nan 8.190 nan 0.000 0.428 31 F N 3.461 123.423 119.950 0.019 0.000 2.688 31 F HA 0.815 5.342 4.527 -0.000 0.000 0.308 31 F C -3.342 172.460 175.800 0.003 0.000 1.117 31 F CA -2.814 55.198 58.000 0.020 0.000 0.976 31 F CB 1.231 40.261 39.000 0.050 0.000 1.291 31 F HN 0.273 nan 8.300 nan 0.000 0.439 32 P HA 0.125 nan 4.420 nan 0.000 0.266 32 P C -0.544 176.660 177.300 -0.160 0.000 1.195 32 P CA 0.001 63.068 63.100 -0.055 0.000 0.768 32 P CB 0.720 32.429 31.700 0.016 0.000 0.838 33 S N 2.875 118.471 115.700 -0.173 0.000 3.940 33 S HA 0.350 4.820 4.470 -0.000 0.000 0.210 33 S C 0.283 174.771 174.600 -0.187 0.000 1.419 33 S CA -0.261 57.821 58.200 -0.196 0.000 0.912 33 S CB -1.011 62.094 63.200 -0.159 0.000 1.489 33 S HN 0.263 nan 8.310 nan 0.000 0.469 34 I N 0.833 121.275 120.570 -0.213 0.000 2.647 34 I HA 0.513 4.683 4.170 -0.000 0.000 0.295 34 I C -0.772 175.226 176.117 -0.199 0.000 1.078 34 I CA -1.117 59.973 61.300 -0.350 0.000 1.048 34 I CB 2.208 39.957 38.000 -0.418 0.000 1.239 34 I HN 0.011 nan 8.210 nan 0.000 0.421 35 V N 3.293 123.088 119.914 -0.199 0.000 2.487 35 V HA 0.711 4.831 4.120 -0.000 0.000 0.298 35 V C 0.193 176.235 176.094 -0.087 0.000 1.028 35 V CA -0.411 61.822 62.300 -0.111 0.000 0.860 35 V CB 1.905 33.677 31.823 -0.086 0.000 0.991 35 V HN 0.931 nan 8.190 nan 0.000 0.427 36 G N 4.297 113.083 108.800 -0.024 0.000 2.487 36 G HA2 0.707 4.667 3.960 -0.000 0.000 0.314 36 G HA3 0.707 4.667 3.960 -0.000 0.000 0.314 36 G C -0.704 174.240 174.900 0.075 0.000 1.267 36 G CA -0.623 44.487 45.100 0.017 0.000 0.937 36 G HN 0.612 nan 8.290 nan 0.000 0.481 37 R N 2.308 122.834 120.500 0.044 0.000 2.720 37 R HA 0.614 4.954 4.340 -0.000 0.000 0.272 37 R C -2.375 173.962 176.300 0.061 0.000 0.991 37 R CA -1.592 54.541 56.100 0.055 0.000 1.010 37 R CB 2.376 32.687 30.300 0.018 0.000 1.141 37 R HN 0.365 nan 8.270 nan 0.000 0.494 38 P HA 0.222 nan 4.420 nan 0.000 0.281 38 P C -0.740 176.579 177.300 0.031 0.000 1.264 38 P CA -0.666 62.466 63.100 0.053 0.000 0.824 38 P CB 0.727 32.469 31.700 0.070 0.000 1.092 53 Y N 2.225 122.498 120.300 -0.044 0.000 2.545 53 Y HA 0.786 5.336 4.550 -0.000 0.000 0.348 53 Y C -0.040 175.795 175.900 -0.108 0.000 1.002 53 Y CA -0.910 57.154 58.100 -0.060 0.000 1.039 53 Y CB 2.195 40.626 38.460 -0.050 0.000 1.271 53 Y HN 0.517 nan 8.280 nan 0.000 0.467 54 V N 1.350 121.247 119.914 -0.028 0.000 2.876 54 V HA 0.832 4.952 4.120 -0.000 0.000 0.312 54 V C 0.378 176.289 176.094 -0.304 0.000 1.085 54 V CA -0.185 61.983 62.300 -0.218 0.000 0.945 54 V CB 1.323 32.903 31.823 -0.405 0.000 1.017 54 V HN 1.109 nan 8.190 nan 0.000 0.428 55 G N 3.020 111.747 108.800 -0.121 0.000 2.528 55 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.262 55 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.262 55 G C 0.513 175.437 174.900 0.040 0.000 1.200 55 G CA 0.534 45.679 45.100 0.074 0.000 0.951 55 G HN 0.647 nan 8.290 nan 0.000 0.566 56 D N 0.493 120.935 120.400 0.070 0.000 2.149 56 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 56 D C 2.047 178.351 176.300 0.007 0.000 0.990 56 D CA 1.593 55.621 54.000 0.048 0.000 0.839 56 D CB -0.125 40.712 40.800 0.062 0.000 0.948 56 D HN 0.625 nan 8.370 nan 0.000 0.460 57 E N 0.270 120.469 120.200 -0.002 0.000 2.268 57 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 57 E C 1.852 178.416 176.600 -0.060 0.000 0.995 57 E CA 0.576 56.965 56.400 -0.018 0.000 0.836 57 E CB 0.140 29.867 29.700 0.045 0.000 0.763 57 E HN 0.178 nan 8.360 nan 0.000 0.491 58 A N 0.284 123.082 122.820 -0.037 0.000 1.975 58 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 58 A C 2.008 179.557 177.584 -0.058 0.000 1.170 58 A CA 0.403 52.411 52.037 -0.047 0.000 0.656 58 A CB -0.056 18.919 19.000 -0.041 0.000 0.821 58 A HN 0.151 nan 8.150 nan 0.000 0.449 59 Q N 0.549 120.325 119.800 -0.040 0.000 2.050 59 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 59 Q C 2.422 178.403 176.000 -0.031 0.000 0.980 59 Q CA 1.872 57.659 55.803 -0.026 0.000 0.840 59 Q CB -0.622 28.115 28.738 -0.002 0.000 0.898 59 Q HN 0.660 nan 8.270 nan 0.000 0.424 60 S N 1.747 117.422 115.700 -0.041 0.000 2.365 60 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 60 S C 1.431 175.989 174.600 -0.069 0.000 1.037 60 S CA 1.368 59.538 58.200 -0.050 0.000 1.060 60 S CB -0.251 62.913 63.200 -0.060 0.000 0.974 60 S HN 0.360 nan 8.310 nan 0.000 0.427 61 K N 2.074 122.407 120.400 -0.111 0.000 2.665 61 K HA 0.092 4.412 4.320 -0.000 0.000 0.214 61 K C 1.689 178.236 176.600 -0.089 0.000 1.032 61 K CA -0.119 56.088 56.287 -0.132 0.000 1.198 61 K CB -0.092 32.256 32.500 -0.253 0.000 0.941 61 K HN 0.419 nan 8.250 nan 0.000 0.491 62 R N -0.048 120.418 120.500 -0.057 0.000 2.148 62 R HA -0.076 4.264 4.340 -0.000 0.000 0.227 62 R C 1.870 178.156 176.300 -0.024 0.000 1.103 62 R CA 1.380 57.458 56.100 -0.036 0.000 0.983 62 R CB -0.680 29.607 30.300 -0.022 0.000 0.874 62 R HN 0.195 nan 8.270 nan 0.000 0.451 63 G N 2.262 111.047 108.800 -0.025 0.000 2.480 63 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.216 63 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.216 63 G C 1.379 176.268 174.900 -0.018 0.000 1.200 63 G CA 1.035 46.124 45.100 -0.017 0.000 0.782 63 G HN 0.345 nan 8.290 nan 0.000 0.554 64 I N 0.468 121.021 120.570 -0.029 0.000 2.252 64 I HA 0.148 4.318 4.170 -0.000 0.000 0.245 64 I C 0.984 177.095 176.117 -0.011 0.000 1.102 64 I CA 0.437 61.724 61.300 -0.021 0.000 1.385 64 I CB -0.061 37.920 38.000 -0.033 0.000 1.064 64 I HN -0.001 nan 8.210 nan 0.000 0.414 65 L N 1.076 122.288 121.223 -0.018 0.000 2.395 65 L HA 0.236 4.576 4.340 -0.000 0.000 0.269 65 L C 0.221 177.090 176.870 -0.002 0.000 1.133 65 L CA -0.456 54.385 54.840 0.001 0.000 0.812 65 L CB 0.621 42.681 42.059 0.003 0.000 1.125 65 L HN -0.020 nan 8.230 nan 0.000 0.452 66 T N 3.814 118.371 114.554 0.005 0.000 2.780 66 T HA 0.415 4.765 4.350 -0.000 0.000 0.294 66 T C 0.030 174.719 174.700 -0.017 0.000 0.949 66 T CA -0.367 61.732 62.100 -0.001 0.000 1.074 66 T CB 0.391 69.262 68.868 0.005 0.000 0.910 66 T HN 0.257 nan 8.240 nan 0.000 0.501 67 L N 3.937 125.142 121.223 -0.029 0.000 2.307 67 L HA 0.545 4.885 4.340 -0.000 0.000 0.282 67 L C 0.467 177.290 176.870 -0.078 0.000 1.051 67 L CA -0.646 54.145 54.840 -0.082 0.000 0.804 67 L CB 1.169 43.161 42.059 -0.111 0.000 1.197 67 L HN 0.450 nan 8.230 nan 0.000 0.431 68 K N 2.335 122.652 120.400 -0.139 0.000 2.395 68 K HA 0.514 4.834 4.320 -0.000 0.000 0.247 68 K C -1.677 174.786 176.600 -0.228 0.000 0.973 68 K CA -0.795 55.440 56.287 -0.088 0.000 0.828 68 K CB 2.511 34.983 32.500 -0.045 0.000 1.272 68 K HN 0.268 nan 8.250 nan 0.000 0.439 69 Y N 1.183 121.441 120.300 -0.071 0.000 2.345 69 Y HA 0.199 4.749 4.550 -0.000 0.000 0.331 69 Y C -1.729 174.093 175.900 -0.130 0.000 0.959 69 Y CA -1.899 56.142 58.100 -0.097 0.000 1.204 69 Y CB 1.415 39.822 38.460 -0.090 0.000 1.135 69 Y HN 0.506 nan 8.280 nan 0.000 0.477 70 P HA -0.069 nan 4.420 nan 0.000 0.219 70 P C -0.242 176.937 177.300 -0.200 0.000 1.150 70 P CA 1.364 64.365 63.100 -0.166 0.000 0.814 70 P CB 0.573 32.124 31.700 -0.247 0.000 0.787 71 I N -0.116 120.372 120.570 -0.138 0.000 2.330 71 I HA 0.223 4.392 4.170 -0.000 0.000 0.289 71 I C 0.571 176.632 176.117 -0.092 0.000 1.001 71 I CA -0.489 60.722 61.300 -0.148 0.000 1.193 71 I CB 1.472 39.383 38.000 -0.148 0.000 1.345 71 I HN -0.148 nan 8.210 nan 0.000 0.461 75 I N 2.508 123.057 120.570 -0.035 0.000 2.362 75 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 75 I C 0.045 176.082 176.117 -0.132 0.000 0.994 75 I CA -0.947 60.325 61.300 -0.047 0.000 1.158 75 I CB 2.085 40.078 38.000 -0.011 0.000 1.315 75 I HN -0.029 nan 8.210 nan 0.000 0.451 76 I N 6.107 126.547 120.570 -0.216 0.000 2.752 76 I HA -0.062 4.108 4.170 -0.000 0.000 0.286 76 I C 1.242 177.025 176.117 -0.558 0.000 1.180 76 I CA 0.655 61.661 61.300 -0.491 0.000 1.404 76 I CB 0.311 37.803 38.000 -0.847 0.000 1.389 76 I HN 0.729 nan 8.210 nan 0.000 0.549 77 T N 0.642 114.918 114.554 -0.463 0.000 3.004 77 T HA 0.140 4.490 4.350 -0.000 0.000 0.266 77 T C 0.309 174.813 174.700 -0.327 0.000 0.986 77 T CA -0.426 61.483 62.100 -0.319 0.000 0.902 77 T CB -0.111 68.671 68.868 -0.145 0.000 1.118 77 T HN 0.536 nan 8.240 nan 0.000 0.522 78 N N -0.367 118.079 118.700 -0.423 0.000 2.504 78 N HA 0.397 5.137 4.740 -0.000 0.000 0.280 78 N C -0.367 174.968 175.510 -0.292 0.000 1.052 78 N CA -0.812 52.080 53.050 -0.262 0.000 0.887 78 N CB 0.982 39.398 38.487 -0.118 0.000 1.323 78 N HN 0.181 nan 8.380 nan 0.000 0.509 79 W N 1.645 122.957 121.300 0.020 0.000 2.476 79 W HA 0.087 4.747 4.660 -0.000 0.000 0.281 79 W C 1.452 178.003 176.519 0.053 0.000 1.230 79 W CA 0.069 57.441 57.345 0.044 0.000 1.287 79 W CB 0.244 29.763 29.460 0.098 0.000 1.108 79 W HN 0.553 nan 8.180 nan 0.000 0.567 80 D N 0.549 121.087 120.400 0.230 0.000 2.117 80 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 80 D C 1.271 177.627 176.300 0.094 0.000 0.987 80 D CA 1.645 55.739 54.000 0.157 0.000 0.829 80 D CB -0.352 40.510 40.800 0.104 0.000 0.961 80 D HN 0.141 nan 8.370 nan 0.000 0.460 81 D N 0.115 120.528 120.400 0.021 0.000 2.144 81 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 81 D C 1.947 178.198 176.300 -0.082 0.000 0.978 81 D CA 0.430 54.409 54.000 -0.035 0.000 0.833 81 D CB -0.193 40.561 40.800 -0.075 0.000 0.961 81 D HN 0.072 nan 8.370 nan 0.000 0.470 82 M N 0.834 120.340 119.600 -0.156 0.000 2.117 82 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 82 M C 1.858 178.043 176.300 -0.193 0.000 1.065 82 M CA 1.442 56.506 55.300 -0.394 0.000 1.114 82 M CB -0.261 31.983 32.600 -0.593 0.000 1.361 82 M HN -0.022 nan 8.290 nan 0.000 0.408 83 E N -0.338 119.992 120.200 0.216 0.000 2.097 83 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 83 E C 1.672 178.560 176.600 0.480 0.000 1.000 83 E CA 1.464 58.183 56.400 0.531 0.000 0.804 83 E CB 0.047 29.998 29.700 0.418 0.000 0.740 83 E HN 0.399 nan 8.360 nan 0.000 0.454 84 K N 0.356 120.901 120.400 0.241 0.000 2.097 84 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 84 K C 2.223 178.965 176.600 0.237 0.000 1.050 84 K CA 0.764 57.173 56.287 0.205 0.000 0.938 84 K CB -0.177 32.362 32.500 0.064 0.000 0.718 84 K HN 0.329 nan 8.250 nan 0.000 0.442 85 I N -0.136 120.499 120.570 0.108 0.000 2.179 85 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 85 I C 2.326 178.550 176.117 0.179 0.000 1.088 85 I CA 1.267 62.623 61.300 0.093 0.000 1.357 85 I CB -0.775 37.133 38.000 -0.154 0.000 1.051 85 I HN 0.198 nan 8.210 nan 0.000 0.409 86 W N 0.981 122.330 121.300 0.081 0.000 2.354 86 W HA -0.204 4.456 4.660 -0.000 0.000 0.315 86 W C 2.758 179.106 176.519 -0.285 0.000 1.206 86 W CA 1.183 58.365 57.345 -0.272 0.000 1.290 86 W CB -1.595 27.690 29.460 -0.293 0.000 1.152 86 W HN 0.320 nan 8.180 nan 0.000 0.489 87 H N -0.661 118.700 119.070 0.485 0.000 2.321 87 H HA -0.255 4.301 4.556 -0.000 0.000 0.295 87 H C 2.184 177.784 175.328 0.454 0.000 1.102 87 H CA 2.589 59.050 56.048 0.687 0.000 1.266 87 H CB -0.551 29.613 29.762 0.671 0.000 1.363 87 H HN 0.199 nan 8.280 nan 0.000 0.492 88 H N -0.063 119.236 119.070 0.381 0.000 2.290 88 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 88 H C 2.162 177.484 175.328 -0.010 0.000 1.087 88 H CA 2.766 58.916 56.048 0.171 0.000 1.291 88 H CB -0.313 29.471 29.762 0.037 0.000 1.369 88 H HN 0.281 nan 8.280 nan 0.000 0.492 89 T N 0.485 115.013 114.554 -0.042 0.000 2.624 89 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 89 T C 1.722 176.246 174.700 -0.294 0.000 1.041 89 T CA 1.835 63.823 62.100 -0.187 0.000 1.159 89 T CB -0.579 68.176 68.868 -0.188 0.000 0.863 89 T HN 0.188 nan 8.240 nan 0.000 0.434 90 F N 0.075 119.891 119.950 -0.223 0.000 2.084 90 F HA 0.061 4.588 4.527 -0.000 0.000 0.296 90 F C 2.240 177.756 175.800 -0.474 0.000 1.111 90 F CA 0.599 58.319 58.000 -0.467 0.000 1.224 90 F CB -1.073 37.453 39.000 -0.790 0.000 0.991 90 F HN 0.174 nan 8.300 nan 0.000 0.471 91 Y N -0.283 120.051 120.300 0.057 0.000 2.201 91 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 91 Y C 2.161 178.019 175.900 -0.069 0.000 1.119 91 Y CA 1.342 59.440 58.100 -0.003 0.000 1.127 91 Y CB -1.176 37.275 38.460 -0.015 0.000 1.019 91 Y HN 0.023 nan 8.280 nan 0.000 0.514 92 N N -0.548 118.123 118.700 -0.048 0.000 2.207 92 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 92 N C 1.552 176.908 175.510 -0.257 0.000 1.020 92 N CA 1.101 54.027 53.050 -0.207 0.000 0.858 92 N CB 0.067 38.267 38.487 -0.478 0.000 0.991 92 N HN 0.207 nan 8.380 nan 0.000 0.427 93 E N 0.694 120.680 120.200 -0.357 0.000 2.060 93 E HA 0.068 4.418 4.350 -0.000 0.000 0.189 93 E C 1.813 178.340 176.600 -0.122 0.000 0.974 93 E CA 0.723 56.964 56.400 -0.266 0.000 0.808 93 E CB 0.101 29.604 29.700 -0.328 0.000 0.768 93 E HN 0.375 nan 8.360 nan 0.000 0.453 94 L N -0.397 120.758 121.223 -0.112 0.000 2.556 94 L HA 0.238 4.578 4.340 -0.000 0.000 0.226 94 L C 0.050 176.950 176.870 0.050 0.000 1.089 94 L CA -0.144 54.666 54.840 -0.051 0.000 0.864 94 L CB 0.131 42.069 42.059 -0.202 0.000 1.067 94 L HN -0.046 nan 8.230 nan 0.000 0.477 95 R N 0.403 120.911 120.500 0.013 0.000 3.267 95 R HA -0.133 4.207 4.340 -0.000 0.000 0.254 95 R C -0.684 175.660 176.300 0.073 0.000 0.993 95 R CA 0.677 56.814 56.100 0.063 0.000 0.670 95 R CB -1.923 28.420 30.300 0.072 0.000 1.125 95 R HN 0.343 nan 8.270 nan 0.000 0.434 96 V N -4.027 115.885 119.914 -0.004 0.000 3.141 96 V HA 0.979 5.099 4.120 -0.000 0.000 0.312 96 V C -0.027 175.993 176.094 -0.123 0.000 1.157 96 V CA -0.788 61.508 62.300 -0.007 0.000 1.041 96 V CB 2.451 34.214 31.823 -0.100 0.000 1.071 96 V HN 0.208 nan 8.190 nan 0.000 0.441 97 A N 1.539 124.358 122.820 -0.002 0.000 2.290 97 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 97 A C -1.828 175.651 177.584 -0.175 0.000 1.202 97 A CA -1.727 50.265 52.037 -0.074 0.000 0.837 97 A CB 1.046 20.083 19.000 0.061 0.000 1.139 97 A HN 0.759 nan 8.150 nan 0.000 0.509 98 P HA -0.097 nan 4.420 nan 0.000 0.219 98 P C 0.769 177.906 177.300 -0.271 0.000 1.150 98 P CA 1.090 63.809 63.100 -0.636 0.000 0.814 98 P CB 0.240 31.329 31.700 -1.018 0.000 0.787 99 E N 0.354 120.466 120.200 -0.146 0.000 2.187 99 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 99 E C 1.484 178.022 176.600 -0.104 0.000 1.004 99 E CA 1.484 57.836 56.400 -0.079 0.000 0.813 99 E CB -0.786 28.896 29.700 -0.030 0.000 0.736 99 E HN 0.510 nan 8.360 nan 0.000 0.468 100 E N -1.002 119.121 120.200 -0.128 0.000 2.476 100 E HA 0.088 4.438 4.350 -0.000 0.000 0.199 100 E C -0.125 176.196 176.600 -0.466 0.000 1.021 100 E CA 0.071 56.315 56.400 -0.259 0.000 0.907 100 E CB 0.410 29.944 29.700 -0.278 0.000 0.974 100 E HN 0.265 nan 8.360 nan 0.000 0.489 101 H N 0.503 119.485 119.070 -0.147 0.000 2.589 101 H HA 0.282 4.838 4.556 -0.000 0.000 0.351 101 H C -2.552 172.635 175.328 -0.234 0.000 1.074 101 H CA -2.442 53.517 56.048 -0.149 0.000 1.203 101 H CB 1.648 31.360 29.762 -0.082 0.000 1.558 101 H HN -0.092 nan 8.280 nan 0.000 0.522 102 P HA 0.042 nan 4.420 nan 0.000 0.269 102 P C -0.398 176.710 177.300 -0.320 0.000 1.209 102 P CA 0.073 62.864 63.100 -0.514 0.000 0.776 102 P CB 0.654 31.688 31.700 -1.111 0.000 0.876 103 T N 3.133 117.567 114.554 -0.199 0.000 2.847 103 T HA 0.385 4.735 4.350 -0.000 0.000 0.291 103 T C -0.332 174.557 174.700 0.316 0.000 0.998 103 T CA -0.486 61.641 62.100 0.044 0.000 0.967 103 T CB 0.354 69.197 68.868 -0.042 0.000 0.954 103 T HN 0.239 nan 8.240 nan 0.000 0.441 104 L N 5.205 126.655 121.223 0.378 0.000 2.290 104 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 104 L C -1.025 175.938 176.870 0.155 0.000 1.078 104 L CA -0.427 54.611 54.840 0.330 0.000 0.815 104 L CB 0.284 42.470 42.059 0.211 0.000 1.162 104 L HN 0.549 nan 8.230 nan 0.000 0.435 105 L N 3.405 124.716 121.223 0.148 0.000 2.301 105 L HA 0.679 5.019 4.340 -0.000 0.000 0.264 105 L C -0.146 176.792 176.870 0.115 0.000 1.016 105 L CA -0.728 54.175 54.840 0.105 0.000 0.821 105 L CB 2.419 44.512 42.059 0.056 0.000 1.346 105 L HN 0.579 nan 8.230 nan 0.000 0.429 106 T N -2.000 112.625 114.554 0.119 0.000 2.893 106 T HA 0.635 4.985 4.350 -0.000 0.000 0.291 106 T C -0.869 173.885 174.700 0.090 0.000 1.028 106 T CA -0.764 61.388 62.100 0.087 0.000 0.995 106 T CB 2.202 71.110 68.868 0.066 0.000 1.051 106 T HN 0.732 nan 8.240 nan 0.000 0.470 107 E N 1.400 121.630 120.200 0.050 0.000 2.336 107 E HA 0.671 5.021 4.350 -0.000 0.000 0.267 107 E C -0.597 175.994 176.600 -0.015 0.000 0.906 107 E CA -1.572 54.851 56.400 0.039 0.000 0.781 107 E CB 1.979 31.705 29.700 0.044 0.000 1.261 107 E HN 0.877 nan 8.360 nan 0.000 0.436 108 A N 2.139 124.942 122.820 -0.029 0.000 2.445 108 A HA 0.392 4.712 4.320 -0.000 0.000 0.242 108 A C -2.211 175.260 177.584 -0.188 0.000 1.075 108 A CA -1.148 50.826 52.037 -0.106 0.000 0.777 108 A CB -0.471 18.506 19.000 -0.039 0.000 1.013 108 A HN 0.480 nan 8.150 nan 0.000 0.493 109 P HA 0.204 nan 4.420 nan 0.000 0.267 109 P C 0.242 177.387 177.300 -0.258 0.000 1.200 109 P CA 0.315 63.211 63.100 -0.340 0.000 0.772 109 P CB 0.166 31.566 31.700 -0.501 0.000 0.855 110 L N -2.147 118.983 121.223 -0.154 0.000 4.496 110 L HA -0.270 4.070 4.340 -0.000 0.000 0.419 110 L C 0.499 177.343 176.870 -0.043 0.000 1.139 110 L CA -0.039 54.746 54.840 -0.092 0.000 0.975 110 L CB -2.083 39.932 42.059 -0.073 0.000 2.099 110 L HN 0.475 nan 8.230 nan 0.000 0.818 111 N N 1.938 120.616 118.700 -0.037 0.000 2.411 111 N HA 0.171 4.911 4.740 -0.000 0.000 0.265 111 N C -2.020 173.510 175.510 0.034 0.000 1.266 111 N CA -0.759 52.299 53.050 0.014 0.000 0.889 111 N CB 0.632 39.137 38.487 0.030 0.000 1.069 111 N HN 0.024 nan 8.380 nan 0.000 0.476 112 P HA 0.008 nan 4.420 nan 0.000 0.270 112 P C 0.426 177.776 177.300 0.083 0.000 1.223 112 P CA -0.196 62.943 63.100 0.065 0.000 0.785 112 P CB 0.529 32.276 31.700 0.079 0.000 0.923 113 K N 1.591 122.038 120.400 0.079 0.000 2.057 113 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 113 K C 1.796 178.452 176.600 0.094 0.000 1.050 113 K CA 1.842 58.182 56.287 0.088 0.000 0.935 113 K CB -1.871 30.690 32.500 0.101 0.000 0.715 113 K HN 0.401 nan 8.250 nan 0.000 0.439 114 A N 2.510 125.384 122.820 0.089 0.000 1.997 114 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 114 A C 2.254 179.902 177.584 0.107 0.000 1.172 114 A CA 2.002 54.089 52.037 0.083 0.000 0.645 114 A CB -0.717 18.332 19.000 0.082 0.000 0.813 114 A HN 0.517 nan 8.150 nan 0.000 0.454 115 N N 0.294 119.100 118.700 0.176 0.000 2.109 115 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 115 N C 1.971 177.638 175.510 0.261 0.000 1.034 115 N CA 1.632 54.867 53.050 0.309 0.000 0.846 115 N CB -0.297 38.374 38.487 0.307 0.000 1.010 115 N HN 0.676 nan 8.380 nan 0.000 0.425 116 R N 0.695 121.300 120.500 0.175 0.000 2.152 116 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 116 R C 1.629 177.990 176.300 0.102 0.000 1.117 116 R CA 1.003 57.184 56.100 0.136 0.000 0.981 116 R CB -0.496 29.851 30.300 0.079 0.000 0.870 116 R HN 0.381 nan 8.270 nan 0.000 0.451 117 E N 1.212 121.464 120.200 0.087 0.000 2.072 117 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 117 E C 1.868 178.481 176.600 0.023 0.000 0.982 117 E CA 0.912 57.359 56.400 0.079 0.000 0.803 117 E CB 0.035 29.779 29.700 0.074 0.000 0.755 117 E HN 0.084 nan 8.360 nan 0.000 0.453 118 K N 1.108 121.454 120.400 -0.089 0.000 2.148 118 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 118 K C 1.923 178.354 176.600 -0.282 0.000 1.050 118 K CA 0.982 57.069 56.287 -0.334 0.000 0.942 118 K CB -0.130 31.904 32.500 -0.776 0.000 0.724 118 K HN 0.048 nan 8.250 nan 0.000 0.446 119 M N -0.299 119.274 119.600 -0.045 0.000 2.086 119 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 119 M C 1.527 177.815 176.300 -0.021 0.000 1.067 119 M CA 1.965 57.361 55.300 0.161 0.000 1.116 119 M CB -0.220 32.546 32.600 0.276 0.000 1.348 119 M HN 0.145 nan 8.290 nan 0.000 0.407 120 T N -0.110 114.435 114.554 -0.015 0.000 2.737 120 T HA -0.234 4.116 4.350 -0.000 0.000 0.265 120 T C 1.573 176.220 174.700 -0.088 0.000 1.038 120 T CA 1.737 63.803 62.100 -0.057 0.000 1.144 120 T CB -0.369 68.569 68.868 0.118 0.000 0.866 120 T HN 0.542 nan 8.240 nan 0.000 0.434 121 Q N 0.694 120.520 119.800 0.042 0.000 1.985 121 Q HA -0.144 4.196 4.340 -0.000 0.000 0.207 121 Q C 2.337 178.343 176.000 0.010 0.000 0.996 121 Q CA 1.783 57.635 55.803 0.082 0.000 0.851 121 Q CB -0.432 28.387 28.738 0.135 0.000 0.921 121 Q HN 0.507 nan 8.270 nan 0.000 0.418 122 I N 0.367 120.950 120.570 0.022 0.000 2.145 122 I HA -0.365 3.805 4.170 -0.000 0.000 0.244 122 I C 2.546 178.738 176.117 0.125 0.000 1.075 122 I CA 1.273 62.641 61.300 0.113 0.000 1.332 122 I CB -0.431 37.740 38.000 0.285 0.000 1.033 122 I HN 0.447 nan 8.210 nan 0.000 0.410 123 M N -0.294 119.278 119.600 -0.047 0.000 2.108 123 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 123 M C 2.332 178.517 176.300 -0.193 0.000 1.066 123 M CA 2.025 57.226 55.300 -0.166 0.000 1.107 123 M CB -1.218 31.090 32.600 -0.487 0.000 1.356 123 M HN 0.142 nan 8.290 nan 0.000 0.406 124 F N 0.244 120.065 119.950 -0.215 0.000 2.293 124 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 124 F C 2.285 178.003 175.800 -0.138 0.000 1.089 124 F CA 1.016 58.837 58.000 -0.298 0.000 1.377 124 F CB -0.378 38.128 39.000 -0.823 0.000 1.051 124 F HN 0.288 nan 8.300 nan 0.000 0.511 125 E N -1.625 118.633 120.200 0.096 0.000 2.340 125 E HA 0.017 4.367 4.350 -0.000 0.000 0.198 125 E C 1.738 178.353 176.600 0.025 0.000 0.961 125 E CA 0.940 57.395 56.400 0.092 0.000 0.905 125 E CB 0.078 29.855 29.700 0.127 0.000 0.884 125 E HN 0.188 nan 8.360 nan 0.000 0.491 126 T N -0.044 114.497 114.554 -0.022 0.000 3.031 126 T HA 0.076 4.426 4.350 -0.000 0.000 0.254 126 T C 0.954 175.445 174.700 -0.348 0.000 1.060 126 T CA 0.526 62.514 62.100 -0.188 0.000 1.135 126 T CB 0.061 68.779 68.868 -0.250 0.000 0.896 126 T HN 0.019 nan 8.240 nan 0.000 0.472 127 F N 1.377 121.347 119.950 0.032 0.000 2.720 127 F HA 0.305 4.832 4.527 -0.000 0.000 0.301 127 F C 0.485 176.226 175.800 -0.099 0.000 1.103 127 F CA -0.948 57.028 58.000 -0.040 0.000 1.291 127 F CB -0.729 38.211 39.000 -0.100 0.000 1.086 127 F HN 0.073 nan 8.300 nan 0.000 0.592 128 N N 0.559 119.311 118.700 0.086 0.000 2.689 128 N HA -0.166 4.574 4.740 -0.000 0.000 0.263 128 N C -0.419 175.110 175.510 0.031 0.000 0.987 128 N CA 0.274 53.372 53.050 0.080 0.000 0.782 128 N CB -1.626 36.897 38.487 0.060 0.000 0.903 128 N HN 0.160 nan 8.380 nan 0.000 0.547 129 V N -2.358 117.533 119.914 -0.039 0.000 2.715 129 V HA 0.228 4.347 4.120 -0.000 0.000 0.299 129 V C -0.597 175.504 176.094 0.011 0.000 1.054 129 V CA -1.138 61.087 62.300 -0.126 0.000 1.077 129 V CB 0.996 32.648 31.823 -0.286 0.000 0.972 129 V HN 0.057 nan 8.190 nan 0.000 0.484 130 P HA 0.035 nan 4.420 nan 0.000 0.215 130 P C 0.438 177.809 177.300 0.118 0.000 1.157 130 P CA 2.087 65.197 63.100 0.016 0.000 0.863 130 P CB 0.295 31.940 31.700 -0.092 0.000 0.787 131 A N -1.051 121.761 122.820 -0.015 0.000 2.569 131 A HA 0.842 5.162 4.320 -0.000 0.000 0.290 131 A C -0.583 176.975 177.584 -0.044 0.000 1.136 131 A CA -0.635 51.439 52.037 0.063 0.000 0.710 131 A CB 1.377 20.286 19.000 -0.153 0.000 1.303 131 A HN 0.166 nan 8.150 nan 0.000 0.413 132 M N -0.748 118.988 119.600 0.227 0.000 2.773 132 M HA 0.829 5.309 4.480 -0.000 0.000 0.270 132 M C -1.746 174.916 176.300 0.604 0.000 1.238 132 M CA -0.512 54.946 55.300 0.263 0.000 0.832 132 M CB 1.772 34.223 32.600 -0.249 0.000 1.672 132 M HN 0.982 nan 8.290 nan 0.000 0.480 133 Y N 0.112 120.620 120.300 0.346 0.000 2.581 133 Y HA 0.748 5.298 4.550 -0.000 0.000 0.337 133 Y C -2.132 173.839 175.900 0.118 0.000 1.108 133 Y CA -0.786 57.432 58.100 0.197 0.000 1.033 133 Y CB 2.239 40.760 38.460 0.100 0.000 1.318 133 Y HN 0.689 nan 8.280 nan 0.000 0.459 134 V N 4.594 124.296 119.914 -0.353 0.000 2.376 134 V HA 0.841 4.961 4.120 -0.000 0.000 0.287 134 V C -0.366 175.624 176.094 -0.173 0.000 1.015 134 V CA -0.382 61.828 62.300 -0.149 0.000 0.834 134 V CB 0.866 32.614 31.823 -0.126 0.000 1.001 134 V HN 0.869 nan 8.190 nan 0.000 0.428 135 A N 5.362 128.267 122.820 0.140 0.000 2.337 135 A HA 0.878 5.198 4.320 -0.000 0.000 0.331 135 A C -0.401 177.223 177.584 0.067 0.000 1.137 135 A CA -0.774 51.392 52.037 0.215 0.000 0.807 135 A CB 0.876 20.055 19.000 0.298 0.000 1.250 135 A HN 0.782 nan 8.150 nan 0.000 0.468 136 I N 2.225 122.812 120.570 0.029 0.000 2.436 136 I HA -0.013 4.157 4.170 -0.000 0.000 0.289 136 I C 1.381 177.457 176.117 -0.069 0.000 1.083 136 I CA 0.059 61.335 61.300 -0.041 0.000 1.372 136 I CB 0.776 38.731 38.000 -0.074 0.000 1.408 136 I HN 0.902 nan 8.210 nan 0.000 0.516 137 Q N 4.796 124.560 119.800 -0.059 0.000 2.082 137 Q HA -0.303 4.037 4.340 -0.000 0.000 0.211 137 Q C 2.285 178.234 176.000 -0.085 0.000 1.002 137 Q CA 2.586 58.357 55.803 -0.053 0.000 0.868 137 Q CB -0.194 28.523 28.738 -0.034 0.000 0.931 137 Q HN 0.919 nan 8.270 nan 0.000 0.414 138 A N -0.112 122.642 122.820 -0.110 0.000 1.969 138 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 138 A C 2.304 179.781 177.584 -0.179 0.000 1.169 138 A CA 1.296 53.262 52.037 -0.119 0.000 0.635 138 A CB -0.520 18.410 19.000 -0.117 0.000 0.810 138 A HN 0.237 nan 8.150 nan 0.000 0.445 139 V N 0.169 119.941 119.914 -0.236 0.000 2.358 139 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 139 V C 2.531 178.273 176.094 -0.587 0.000 1.047 139 V CA 1.850 63.889 62.300 -0.436 0.000 1.035 139 V CB -0.709 30.884 31.823 -0.384 0.000 0.658 139 V HN 0.584 nan 8.190 nan 0.000 0.452 140 L N -0.209 120.829 121.223 -0.307 0.000 2.083 140 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 140 L C 2.588 179.395 176.870 -0.104 0.000 1.083 140 L CA 1.637 56.375 54.840 -0.170 0.000 0.752 140 L CB -0.697 41.312 42.059 -0.083 0.000 0.899 140 L HN 0.307 nan 8.230 nan 0.000 0.433 141 S N 0.095 115.735 115.700 -0.099 0.000 2.382 141 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 141 S C 1.854 176.430 174.600 -0.040 0.000 1.027 141 S CA 1.158 59.334 58.200 -0.041 0.000 0.991 141 S CB -0.304 62.876 63.200 -0.034 0.000 0.823 141 S HN 0.239 nan 8.310 nan 0.000 0.469 142 L N 0.818 121.975 121.223 -0.110 0.000 2.027 142 L HA -0.064 4.276 4.340 -0.000 0.000 0.206 142 L C 2.002 178.893 176.870 0.035 0.000 1.074 142 L CA 1.774 56.570 54.840 -0.074 0.000 0.745 142 L CB -0.828 41.140 42.059 -0.153 0.000 0.898 142 L HN 0.202 nan 8.230 nan 0.000 0.433 143 Y N 0.117 120.395 120.300 -0.038 0.000 2.151 143 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 143 Y C 2.633 178.509 175.900 -0.041 0.000 1.166 143 Y CA 0.810 58.879 58.100 -0.051 0.000 1.163 143 Y CB -1.656 36.755 38.460 -0.081 0.000 0.974 143 Y HN 0.322 nan 8.280 nan 0.000 0.511 144 A N -0.310 122.585 122.820 0.125 0.000 2.019 144 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 144 A C 2.307 179.929 177.584 0.063 0.000 1.164 144 A CA 1.754 53.836 52.037 0.075 0.000 0.644 144 A CB -0.932 18.107 19.000 0.066 0.000 0.805 144 A HN 0.467 nan 8.150 nan 0.000 0.449 145 S N -1.489 114.246 115.700 0.058 0.000 2.603 145 S HA 0.370 4.840 4.470 -0.000 0.000 0.220 145 S C 1.178 175.806 174.600 0.046 0.000 0.967 145 S CA 0.833 59.061 58.200 0.047 0.000 0.920 145 S CB -0.602 62.621 63.200 0.038 0.000 0.773 145 S HN 1.955 nan 8.310 nan 0.000 0.529 146 G N 0.964 109.798 108.800 0.056 0.000 2.291 146 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.271 146 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.271 146 G C -0.186 174.740 174.900 0.043 0.000 1.099 146 G CA -0.156 44.968 45.100 0.041 0.000 0.919 146 G HN 0.661 nan 8.290 nan 0.000 0.496 147 R N -1.658 118.888 120.500 0.077 0.000 2.710 147 R HA 0.699 5.039 4.340 -0.000 0.000 0.270 147 R C 0.913 177.296 176.300 0.138 0.000 1.021 147 R CA -0.231 55.910 56.100 0.068 0.000 0.889 147 R CB 1.238 31.565 30.300 0.046 0.000 1.243 147 R HN 0.327 nan 8.270 nan 0.000 0.464 148 T N -3.376 111.230 114.554 0.087 0.000 3.043 148 T HA 0.197 4.547 4.350 -0.000 0.000 0.272 148 T C 0.250 174.963 174.700 0.021 0.000 0.990 148 T CA -0.054 62.130 62.100 0.140 0.000 0.897 148 T CB 0.653 69.574 68.868 0.088 0.000 1.111 148 T HN 0.383 nan 8.240 nan 0.000 0.529 149 T N 1.178 115.713 114.554 -0.032 0.000 2.861 149 T HA 0.752 5.102 4.350 -0.000 0.000 0.287 149 T C -0.091 174.604 174.700 -0.007 0.000 1.003 149 T CA -0.165 61.897 62.100 -0.064 0.000 0.977 149 T CB 1.744 70.499 68.868 -0.188 0.000 0.996 149 T HN 0.682 nan 8.240 nan 0.000 0.448 150 G N 1.395 110.201 108.800 0.010 0.000 2.327 150 G HA2 0.427 4.387 3.960 -0.000 0.000 0.291 150 G HA3 0.427 4.387 3.960 -0.000 0.000 0.291 150 G C -2.141 172.755 174.900 -0.007 0.000 1.290 150 G CA -0.810 44.297 45.100 0.012 0.000 0.857 150 G HN 0.846 nan 8.290 nan 0.000 0.520 151 I N 0.558 121.117 120.570 -0.018 0.000 2.436 151 I HA 0.662 4.831 4.170 -0.000 0.000 0.289 151 I C -0.599 175.501 176.117 -0.027 0.000 1.010 151 I CA -1.057 60.220 61.300 -0.038 0.000 1.098 151 I CB 1.654 39.617 38.000 -0.062 0.000 1.266 151 I HN 0.356 nan 8.210 nan 0.000 0.434 152 V N 7.808 127.700 119.914 -0.037 0.000 2.481 152 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 152 V C -0.177 175.906 176.094 -0.017 0.000 1.042 152 V CA -0.642 61.641 62.300 -0.028 0.000 0.928 152 V CB 1.548 33.343 31.823 -0.047 0.000 0.986 152 V HN 0.582 nan 8.190 nan 0.000 0.462 153 L N 4.453 125.673 121.223 -0.005 0.000 2.264 153 L HA 0.579 4.919 4.340 -0.000 0.000 0.287 153 L C -0.515 176.352 176.870 -0.005 0.000 1.039 153 L CA 0.185 55.023 54.840 -0.004 0.000 0.829 153 L CB 0.894 42.953 42.059 -0.001 0.000 1.211 153 L HN 0.640 nan 8.230 nan 0.000 0.427 154 D N 2.896 123.299 120.400 0.005 0.000 2.256 154 D HA 0.431 5.071 4.640 -0.000 0.000 0.240 154 D C -1.359 174.939 176.300 -0.004 0.000 1.062 154 D CA 0.069 54.072 54.000 0.005 0.000 0.832 154 D CB 1.837 42.650 40.800 0.021 0.000 1.135 154 D HN 0.428 nan 8.370 nan 0.000 0.484 155 S N 2.072 117.756 115.700 -0.027 0.000 2.736 155 S HA 0.698 5.168 4.470 -0.000 0.000 0.285 155 S C 0.078 174.646 174.600 -0.054 0.000 1.163 155 S CA -0.456 57.715 58.200 -0.048 0.000 1.025 155 S CB 0.917 64.083 63.200 -0.056 0.000 1.030 155 S HN 0.545 nan 8.310 nan 0.000 0.486 156 G N 2.469 111.235 108.800 -0.058 0.000 3.410 156 G HA2 0.281 4.241 3.960 -0.000 0.000 0.189 156 G HA3 0.281 4.241 3.960 -0.000 0.000 0.189 156 G C 0.097 174.952 174.900 -0.075 0.000 1.404 156 G CA 0.023 45.083 45.100 -0.067 0.000 0.898 156 G HN 0.596 nan 8.290 nan 0.000 0.650 157 D N -1.728 118.624 120.400 -0.079 0.000 2.379 157 D HA 0.176 4.816 4.640 -0.000 0.000 0.218 157 D C 2.101 178.339 176.300 -0.104 0.000 1.006 157 D CA 1.140 55.087 54.000 -0.087 0.000 0.893 157 D CB 0.349 41.097 40.800 -0.087 0.000 1.019 157 D HN 0.358 nan 8.370 nan 0.000 0.503 158 G N -0.531 108.207 108.800 -0.103 0.000 2.781 158 G HA2 0.326 4.286 3.960 -0.000 0.000 0.208 158 G HA3 0.326 4.286 3.960 -0.000 0.000 0.208 158 G C -0.100 174.732 174.900 -0.112 0.000 1.099 158 G CA 0.109 45.139 45.100 -0.116 0.000 0.776 158 G HN 0.167 nan 8.290 nan 0.000 0.532 159 V N 0.198 120.049 119.914 -0.105 0.000 3.087 159 V HA 0.688 4.808 4.120 -0.000 0.000 0.306 159 V C -1.324 174.667 176.094 -0.172 0.000 1.187 159 V CA -0.445 61.761 62.300 -0.157 0.000 0.999 159 V CB 2.478 34.212 31.823 -0.148 0.000 1.049 159 V HN 0.060 nan 8.190 nan 0.000 0.431 160 T N 3.789 118.184 114.554 -0.266 0.000 2.829 160 T HA 0.682 5.032 4.350 -0.000 0.000 0.280 160 T C -1.279 173.199 174.700 -0.369 0.000 0.999 160 T CA -0.234 61.731 62.100 -0.225 0.000 0.983 160 T CB 0.983 69.746 68.868 -0.176 0.000 0.968 160 T HN 0.778 nan 8.240 nan 0.000 0.446 161 H N 1.371 120.397 119.070 -0.074 0.000 2.637 161 H HA 0.459 5.015 4.556 -0.000 0.000 0.363 161 H C -0.612 174.673 175.328 -0.072 0.000 1.131 161 H CA -0.852 55.152 56.048 -0.073 0.000 1.183 161 H CB 1.228 30.948 29.762 -0.070 0.000 1.637 161 H HN 0.482 nan 8.280 nan 0.000 0.531 162 N N 1.573 120.307 118.700 0.056 0.000 2.437 162 N HA 0.359 5.099 4.740 -0.000 0.000 0.259 162 N C -1.351 174.155 175.510 -0.008 0.000 0.983 162 N CA -0.511 52.542 53.050 0.004 0.000 0.937 162 N CB 1.812 40.284 38.487 -0.026 0.000 1.122 162 N HN 0.150 nan 8.380 nan 0.000 0.499 163 V N 3.491 123.386 119.914 -0.032 0.000 2.304 163 V HA 0.422 4.542 4.120 -0.000 0.000 0.278 163 V C -2.241 173.805 176.094 -0.080 0.000 1.018 163 V CA -1.845 60.412 62.300 -0.071 0.000 0.814 163 V CB 1.084 32.847 31.823 -0.099 0.000 1.021 163 V HN 0.560 nan 8.190 nan 0.000 0.440 164 P HA 0.486 nan 4.420 nan 0.000 0.281 164 P C -0.711 176.543 177.300 -0.078 0.000 1.252 164 P CA -0.029 63.026 63.100 -0.076 0.000 0.778 164 P CB 0.956 32.606 31.700 -0.084 0.000 0.895 165 I N 3.561 124.112 120.570 -0.032 0.000 2.499 165 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 165 I C -0.994 175.180 176.117 0.094 0.000 1.048 165 I CA -0.881 60.411 61.300 -0.014 0.000 1.062 165 I CB 1.968 39.933 38.000 -0.057 0.000 1.238 165 I HN 0.268 nan 8.210 nan 0.000 0.426 166 Y N 5.454 125.759 120.300 0.009 0.000 2.331 166 Y HA 0.304 4.854 4.550 -0.000 0.000 0.334 166 Y C 0.319 176.289 175.900 0.115 0.000 0.960 166 Y CA -0.520 57.615 58.100 0.059 0.000 1.130 166 Y CB 1.078 39.576 38.460 0.064 0.000 1.164 166 Y HN 0.576 nan 8.280 nan 0.000 0.458 167 E N 4.339 124.364 120.200 -0.291 0.000 2.199 167 E HA -0.264 4.086 4.350 -0.000 0.000 0.208 167 E C 1.049 177.702 176.600 0.088 0.000 1.310 167 E CA 1.385 57.708 56.400 -0.128 0.000 0.709 167 E CB -1.422 28.198 29.700 -0.134 0.000 1.127 167 E HN 1.207 nan 8.360 nan 0.000 0.354 168 G N -0.323 108.563 108.800 0.144 0.000 2.179 168 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 168 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 168 G C -0.313 174.734 174.900 0.246 0.000 0.977 168 G CA 0.427 45.676 45.100 0.249 0.000 0.641 168 G HN 0.406 nan 8.290 nan 0.000 0.533 169 Y N 1.504 121.846 120.300 0.070 0.000 2.328 169 Y HA 0.684 5.234 4.550 -0.000 0.000 0.333 169 Y C 0.163 176.086 175.900 0.039 0.000 0.958 169 Y CA -1.482 56.654 58.100 0.061 0.000 1.167 169 Y CB 1.064 39.576 38.460 0.087 0.000 1.151 169 Y HN 0.651 nan 8.280 nan 0.000 0.470 170 A N 7.447 130.098 122.820 -0.282 0.000 2.404 170 A HA 0.413 4.733 4.320 -0.000 0.000 0.273 170 A C -0.605 176.594 177.584 -0.642 0.000 1.144 170 A CA -0.540 51.286 52.037 -0.352 0.000 0.806 170 A CB -0.362 18.509 19.000 -0.216 0.000 1.080 170 A HN 0.850 nan 8.150 nan 0.000 0.509 171 L N 5.303 126.239 121.223 -0.478 0.000 2.454 171 L HA 0.156 4.496 4.340 -0.000 0.000 0.284 171 L C -1.517 175.212 176.870 -0.236 0.000 1.139 171 L CA -1.427 53.164 54.840 -0.414 0.000 0.911 171 L CB 0.708 42.640 42.059 -0.212 0.000 1.262 171 L HN 0.548 nan 8.230 nan 0.000 0.453 172 P HA -0.172 nan 4.420 nan 0.000 0.216 172 P C 0.937 178.098 177.300 -0.231 0.000 1.150 172 P CA 1.520 64.492 63.100 -0.214 0.000 0.843 172 P CB 0.158 31.731 31.700 -0.211 0.000 0.787 173 H N -1.751 117.274 119.070 -0.074 0.000 2.551 173 H HA 0.275 4.831 4.556 -0.000 0.000 0.266 173 H C 1.609 176.899 175.328 -0.062 0.000 0.977 173 H CA 0.848 56.865 56.048 -0.052 0.000 1.163 173 H CB -0.226 29.516 29.762 -0.034 0.000 1.381 173 H HN 0.089 nan 8.280 nan 0.000 0.581 174 A N 0.243 123.062 122.820 -0.003 0.000 2.348 174 A HA 0.213 4.533 4.320 -0.000 0.000 0.224 174 A C 0.538 178.087 177.584 -0.058 0.000 1.227 174 A CA -0.266 51.747 52.037 -0.039 0.000 0.885 174 A CB -0.053 18.909 19.000 -0.062 0.000 0.933 174 A HN 0.186 nan 8.150 nan 0.000 0.506 175 I N 0.873 121.404 120.570 -0.064 0.000 2.471 175 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 175 I C -0.129 175.980 176.117 -0.014 0.000 1.079 175 I CA 0.015 61.284 61.300 -0.051 0.000 1.398 175 I CB 1.134 39.086 38.000 -0.080 0.000 1.403 175 I HN 0.174 nan 8.210 nan 0.000 0.530 176 M N 7.455 127.060 119.600 0.007 0.000 2.227 176 M HA 0.390 4.870 4.480 -0.000 0.000 0.335 176 M C -0.415 175.896 176.300 0.019 0.000 1.053 176 M CA -0.258 55.038 55.300 -0.006 0.000 0.973 176 M CB 1.320 33.899 32.600 -0.036 0.000 1.623 176 M HN 0.408 nan 8.290 nan 0.000 0.434 177 R N 3.444 123.924 120.500 -0.032 0.000 2.514 177 R HA 0.816 5.156 4.340 -0.000 0.000 0.301 177 R C -2.045 174.129 176.300 -0.209 0.000 0.962 177 R CA -0.754 55.236 56.100 -0.184 0.000 0.882 177 R CB 1.231 31.466 30.300 -0.109 0.000 1.143 177 R HN 0.667 nan 8.270 nan 0.000 0.452 178 L N 3.510 124.556 121.223 -0.295 0.000 2.439 178 L HA 0.369 4.709 4.340 -0.000 0.000 0.270 178 L C -1.203 175.532 176.870 -0.225 0.000 0.972 178 L CA -0.259 54.453 54.840 -0.214 0.000 0.836 178 L CB 2.041 43.988 42.059 -0.187 0.000 1.255 178 L HN 0.685 nan 8.230 nan 0.000 0.404 179 D N 4.982 125.280 120.400 -0.170 0.000 3.008 179 D HA 0.228 4.868 4.640 -0.000 0.000 0.242 179 D C -0.665 175.555 176.300 -0.133 0.000 1.222 179 D CA 0.755 54.666 54.000 -0.147 0.000 0.883 179 D CB -0.274 40.458 40.800 -0.113 0.000 1.110 179 D HN 0.404 nan 8.370 nan 0.000 0.455 180 L N 0.224 121.360 121.223 -0.145 0.000 2.457 180 L HA 0.645 4.985 4.340 -0.000 0.000 0.266 180 L C -0.949 175.844 176.870 -0.128 0.000 0.979 180 L CA -0.264 54.497 54.840 -0.132 0.000 0.857 180 L CB 0.975 42.947 42.059 -0.145 0.000 1.213 180 L HN 0.066 nan 8.230 nan 0.000 0.418 181 A N 2.861 125.618 122.820 -0.104 0.000 3.065 181 A HA 0.692 5.012 4.320 -0.000 0.000 0.293 181 A C 0.965 178.516 177.584 -0.054 0.000 1.213 181 A CA 0.129 52.115 52.037 -0.085 0.000 0.667 181 A CB -0.028 18.915 19.000 -0.095 0.000 1.412 181 A HN 0.698 nan 8.150 nan 0.000 0.601 182 G N -0.263 108.509 108.800 -0.048 0.000 2.513 182 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 182 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 182 G C 1.482 176.363 174.900 -0.031 0.000 1.160 182 G CA 1.660 46.742 45.100 -0.030 0.000 0.767 182 G HN 0.729 nan 8.290 nan 0.000 0.571 183 R N 0.014 120.476 120.500 -0.063 0.000 2.096 183 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 183 R C 2.049 178.322 176.300 -0.046 0.000 1.127 183 R CA 1.540 57.597 56.100 -0.071 0.000 0.968 183 R CB -0.110 30.115 30.300 -0.126 0.000 0.861 183 R HN 0.262 nan 8.270 nan 0.000 0.440 184 D N 0.187 120.561 120.400 -0.044 0.000 2.183 184 D HA -0.110 4.530 4.640 -0.000 0.000 0.203 184 D C 1.865 178.182 176.300 0.028 0.000 0.969 184 D CA 0.861 54.847 54.000 -0.023 0.000 0.842 184 D CB 0.032 40.800 40.800 -0.053 0.000 0.957 184 D HN 0.279 nan 8.370 nan 0.000 0.484 185 L N 0.596 121.837 121.223 0.030 0.000 2.093 185 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 185 L C 2.443 179.367 176.870 0.090 0.000 1.085 185 L CA 1.020 55.911 54.840 0.085 0.000 0.755 185 L CB -0.685 41.431 42.059 0.095 0.000 0.904 185 L HN -0.006 nan 8.230 nan 0.000 0.435 186 T N -0.798 113.778 114.554 0.037 0.000 2.708 186 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 186 T C 1.432 176.128 174.700 -0.007 0.000 1.037 186 T CA 1.610 63.706 62.100 -0.007 0.000 1.146 186 T CB -0.271 68.580 68.868 -0.029 0.000 0.865 186 T HN 0.288 nan 8.240 nan 0.000 0.435 187 D N -0.031 120.381 120.400 0.020 0.000 2.144 187 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 187 D C 1.654 178.003 176.300 0.081 0.000 0.984 187 D CA 0.821 54.843 54.000 0.036 0.000 0.834 187 D CB -0.361 40.459 40.800 0.034 0.000 0.955 187 D HN 0.412 nan 8.370 nan 0.000 0.465 188 Y N 0.803 121.088 120.300 -0.024 0.000 2.263 188 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 188 Y C 2.022 177.909 175.900 -0.023 0.000 1.130 188 Y CA 0.677 58.768 58.100 -0.015 0.000 1.179 188 Y CB -0.364 38.094 38.460 -0.003 0.000 0.998 188 Y HN -0.080 nan 8.280 nan 0.000 0.532 189 L N 0.004 121.173 121.223 -0.089 0.000 2.027 189 L HA -0.209 4.131 4.340 -0.000 0.000 0.206 189 L C 2.290 179.053 176.870 -0.178 0.000 1.074 189 L CA 1.853 56.579 54.840 -0.191 0.000 0.745 189 L CB -0.784 41.194 42.059 -0.134 0.000 0.898 189 L HN 0.285 nan 8.230 nan 0.000 0.433 190 M N -0.555 118.972 119.600 -0.122 0.000 2.113 190 M HA -0.346 4.133 4.480 -0.000 0.000 0.255 190 M C 2.363 178.677 176.300 0.022 0.000 1.073 190 M CA 2.505 57.779 55.300 -0.042 0.000 1.091 190 M CB -0.519 32.086 32.600 0.009 0.000 1.309 190 M HN 0.232 nan 8.290 nan 0.000 0.407 191 K N 1.068 121.441 120.400 -0.046 0.000 2.032 191 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 191 K C 1.667 178.191 176.600 -0.127 0.000 1.048 191 K CA 1.815 58.064 56.287 -0.064 0.000 0.927 191 K CB -0.349 32.117 32.500 -0.058 0.000 0.712 191 K HN 0.584 nan 8.250 nan 0.000 0.441 192 I N -1.921 118.484 120.570 -0.274 0.000 2.617 192 I HA -0.088 4.082 4.170 -0.000 0.000 0.256 192 I C 1.776 177.832 176.117 -0.102 0.000 1.167 192 I CA 0.761 61.903 61.300 -0.264 0.000 1.469 192 I CB -0.219 37.508 38.000 -0.455 0.000 1.098 192 I HN 0.056 nan 8.210 nan 0.000 0.436 193 L N 0.997 122.211 121.223 -0.015 0.000 2.156 193 L HA -0.090 4.249 4.340 -0.000 0.000 0.208 193 L C 2.655 179.681 176.870 0.259 0.000 1.095 193 L CA 1.406 56.363 54.840 0.194 0.000 0.770 193 L CB -0.666 41.544 42.059 0.251 0.000 0.914 193 L HN 0.283 nan 8.230 nan 0.000 0.439 194 T N -0.594 114.066 114.554 0.177 0.000 2.701 194 T HA -0.186 4.164 4.350 -0.000 0.000 0.263 194 T C 1.663 176.357 174.700 -0.010 0.000 1.040 194 T CA 1.278 63.433 62.100 0.091 0.000 1.147 194 T CB -0.136 68.776 68.868 0.072 0.000 0.865 194 T HN 0.364 nan 8.240 nan 0.000 0.426 195 E N 0.583 120.762 120.200 -0.034 0.000 2.187 195 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 195 E C 2.346 178.891 176.600 -0.092 0.000 1.004 195 E CA 0.799 57.159 56.400 -0.066 0.000 0.813 195 E CB -0.125 29.527 29.700 -0.079 0.000 0.736 195 E HN 0.286 nan 8.360 nan 0.000 0.468 196 R N -0.911 119.529 120.500 -0.100 0.000 2.189 196 R HA -0.087 4.253 4.340 -0.000 0.000 0.218 196 R C 1.294 177.403 176.300 -0.318 0.000 1.074 196 R CA 1.036 57.034 56.100 -0.170 0.000 0.991 196 R CB 0.270 30.496 30.300 -0.123 0.000 0.883 196 R HN 0.327 nan 8.270 nan 0.000 0.457 197 G N -1.754 106.855 108.800 -0.318 0.000 2.624 197 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.190 197 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.190 197 G C -0.232 174.454 174.900 -0.356 0.000 1.008 197 G CA -0.358 44.521 45.100 -0.368 0.000 0.731 197 G HN 0.165 nan 8.290 nan 0.000 0.478 198 Y N 1.212 121.472 120.300 -0.066 0.000 2.230 198 Y HA 0.681 5.231 4.550 -0.000 0.000 0.354 198 Y C 1.122 176.846 175.900 -0.292 0.000 1.343 198 Y CA -0.090 57.896 58.100 -0.190 0.000 1.693 198 Y CB 0.671 39.049 38.460 -0.137 0.000 1.553 198 Y HN 0.129 nan 8.280 nan 0.000 0.599 199 S N 0.655 116.107 115.700 -0.413 0.000 2.746 199 S HA 0.569 5.039 4.470 -0.000 0.000 0.273 199 S C -1.793 172.489 174.600 -0.531 0.000 1.172 199 S CA -0.550 57.445 58.200 -0.343 0.000 1.116 199 S CB -0.844 62.238 63.200 -0.197 0.000 1.057 199 S HN 0.433 nan 8.310 nan 0.000 0.483 200 F N 4.113 124.084 119.950 0.035 0.000 2.513 200 F HA 0.382 4.909 4.527 -0.000 0.000 0.358 200 F C 0.883 176.687 175.800 0.007 0.000 1.118 200 F CA -0.762 57.248 58.000 0.016 0.000 1.037 200 F CB 1.788 40.790 39.000 0.004 0.000 1.276 200 F HN 0.390 nan 8.300 nan 0.000 0.446 201 V N -1.966 118.034 119.914 0.143 0.000 3.408 201 V HA 0.230 4.350 4.120 -0.000 0.000 0.263 201 V C 0.421 176.557 176.094 0.070 0.000 1.503 201 V CA 0.114 62.464 62.300 0.084 0.000 1.046 201 V CB 0.481 32.330 31.823 0.042 0.000 0.851 201 V HN 0.557 nan 8.190 nan 0.000 0.435 202 T N 1.354 115.954 114.554 0.077 0.000 2.897 202 T HA 0.388 4.738 4.350 -0.000 0.000 0.278 202 T C 1.502 176.242 174.700 0.068 0.000 0.981 202 T CA 0.751 62.888 62.100 0.062 0.000 0.973 202 T CB 1.640 70.538 68.868 0.049 0.000 1.092 202 T HN 0.645 nan 8.240 nan 0.000 0.543 203 T N 0.212 114.800 114.554 0.056 0.000 2.867 203 T HA 0.052 4.402 4.350 -0.000 0.000 0.268 203 T C 2.000 176.734 174.700 0.056 0.000 1.057 203 T CA 0.945 63.080 62.100 0.058 0.000 1.136 203 T CB -0.561 68.344 68.868 0.061 0.000 0.874 203 T HN 0.587 nan 8.240 nan 0.000 0.466 204 A N 1.202 124.055 122.820 0.054 0.000 2.239 204 A HA 0.107 4.427 4.320 -0.000 0.000 0.209 204 A C 1.994 179.625 177.584 0.080 0.000 1.171 204 A CA 0.738 52.808 52.037 0.054 0.000 0.768 204 A CB -0.423 18.603 19.000 0.043 0.000 0.790 204 A HN 0.690 nan 8.150 nan 0.000 0.478 205 E N -1.506 118.755 120.200 0.101 0.000 2.465 205 E HA 0.070 4.420 4.350 -0.000 0.000 0.209 205 E C 1.950 178.604 176.600 0.090 0.000 0.951 205 E CA -0.250 56.249 56.400 0.166 0.000 0.997 205 E CB 0.121 29.977 29.700 0.260 0.000 1.025 205 E HN 0.548 nan 8.360 nan 0.000 0.500 206 R N 1.527 122.061 120.500 0.056 0.000 2.080 206 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 206 R C 1.682 177.974 176.300 -0.014 0.000 1.137 206 R CA 1.399 57.507 56.100 0.013 0.000 0.943 206 R CB 0.154 30.471 30.300 0.029 0.000 0.846 206 R HN -0.012 nan 8.270 nan 0.000 0.431 207 E N 0.355 120.563 120.200 0.013 0.000 2.268 207 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 207 E C 1.886 178.483 176.600 -0.005 0.000 0.995 207 E CA 0.559 56.965 56.400 0.009 0.000 0.836 207 E CB 0.025 29.742 29.700 0.028 0.000 0.763 207 E HN 0.374 nan 8.360 nan 0.000 0.491 208 I N 0.270 120.836 120.570 -0.007 0.000 2.235 208 I HA -0.157 4.013 4.170 -0.000 0.000 0.241 208 I C 2.402 178.419 176.117 -0.167 0.000 1.085 208 I CA 0.623 61.913 61.300 -0.017 0.000 1.378 208 I CB -1.237 36.802 38.000 0.064 0.000 1.076 208 I HN -0.087 nan 8.210 nan 0.000 0.415 209 V N 1.186 120.927 119.914 -0.289 0.000 2.490 209 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 209 V C 2.717 178.654 176.094 -0.262 0.000 1.061 209 V CA 1.625 63.668 62.300 -0.428 0.000 1.064 209 V CB -0.902 30.620 31.823 -0.501 0.000 0.670 209 V HN 0.403 nan 8.190 nan 0.000 0.461 210 R N 0.366 120.775 120.500 -0.152 0.000 2.105 210 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 210 R C 2.173 178.419 176.300 -0.090 0.000 1.135 210 R CA 2.095 58.139 56.100 -0.094 0.000 0.967 210 R CB -0.463 29.805 30.300 -0.053 0.000 0.861 210 R HN 0.613 nan 8.270 nan 0.000 0.442 211 D N 0.403 120.750 120.400 -0.089 0.000 2.149 211 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 211 D C 1.943 178.171 176.300 -0.120 0.000 0.972 211 D CA 1.035 55.011 54.000 -0.039 0.000 0.835 211 D CB -0.025 40.808 40.800 0.055 0.000 0.966 211 D HN 0.373 nan 8.370 nan 0.000 0.476 212 I N 0.562 120.919 120.570 -0.355 0.000 2.226 212 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 212 I C 2.713 178.694 176.117 -0.227 0.000 1.100 212 I CA 0.867 61.836 61.300 -0.551 0.000 1.374 212 I CB -0.262 37.280 38.000 -0.762 0.000 1.057 212 I HN -0.001 nan 8.210 nan 0.000 0.413 213 K N 1.277 121.586 120.400 -0.151 0.000 2.032 213 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 213 K C 1.875 178.498 176.600 0.038 0.000 1.048 213 K CA 1.762 58.039 56.287 -0.017 0.000 0.927 213 K CB -0.004 32.498 32.500 0.003 0.000 0.712 213 K HN 0.368 nan 8.250 nan 0.000 0.441 214 E N -0.166 120.022 120.200 -0.020 0.000 2.285 214 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 214 E C 1.834 178.444 176.600 0.016 0.000 0.997 214 E CA 0.525 56.907 56.400 -0.030 0.000 0.845 214 E CB 0.253 29.923 29.700 -0.051 0.000 0.782 214 E HN 0.108 nan 8.360 nan 0.000 0.491 215 K N 0.038 120.459 120.400 0.035 0.000 2.186 215 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 215 K C 1.584 178.245 176.600 0.103 0.000 1.052 215 K CA 0.750 57.087 56.287 0.083 0.000 0.965 215 K CB 0.449 33.041 32.500 0.154 0.000 0.746 215 K HN 0.157 nan 8.250 nan 0.000 0.457 216 L N -1.150 120.134 121.223 0.102 0.000 3.284 216 L HA 0.172 4.512 4.340 -0.000 0.000 0.294 216 L C 0.148 177.154 176.870 0.226 0.000 1.183 216 L CA -0.255 54.674 54.840 0.149 0.000 1.056 216 L CB 0.953 43.073 42.059 0.102 0.000 1.513 216 L HN -0.132 nan 8.230 nan 0.000 0.601 217 C N 0.896 120.329 119.300 0.222 0.000 2.656 217 C HA 0.392 4.852 4.460 -0.000 0.000 0.391 217 C C 0.113 175.357 174.990 0.423 0.000 1.300 217 C CA -0.207 58.956 59.018 0.241 0.000 2.302 217 C CB -0.369 27.520 27.740 0.249 0.000 2.655 217 C HN 0.401 nan 8.230 nan 0.000 0.656 218 Y N -1.212 119.213 120.300 0.208 0.000 2.744 218 Y HA 0.755 5.305 4.550 -0.000 0.000 0.330 218 Y C -1.218 174.743 175.900 0.102 0.000 1.263 218 Y CA -1.339 56.886 58.100 0.208 0.000 1.065 218 Y CB 0.502 39.066 38.460 0.174 0.000 1.306 218 Y HN 0.263 nan 8.280 nan 0.000 0.459 219 V N 2.120 122.205 119.914 0.285 0.000 2.417 219 V HA 0.767 4.887 4.120 -0.000 0.000 0.291 219 V C 0.180 176.392 176.094 0.197 0.000 1.024 219 V CA -0.538 61.838 62.300 0.127 0.000 0.861 219 V CB 0.970 32.879 31.823 0.143 0.000 0.985 219 V HN 1.050 nan 8.190 nan 0.000 0.436 220 A N 3.769 126.635 122.820 0.077 0.000 2.425 220 A HA 0.467 4.787 4.320 -0.000 0.000 0.249 220 A C 0.832 178.379 177.584 -0.062 0.000 1.084 220 A CA -0.189 51.853 52.037 0.008 0.000 0.781 220 A CB 0.416 19.370 19.000 -0.077 0.000 1.019 220 A HN 0.883 nan 8.150 nan 0.000 0.490 221 L N 0.822 122.003 121.223 -0.071 0.000 2.044 221 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 221 L C 0.393 177.187 176.870 -0.127 0.000 1.075 221 L CA 2.031 56.807 54.840 -0.107 0.000 0.747 221 L CB -0.105 41.907 42.059 -0.077 0.000 0.903 221 L HN 0.772 nan 8.230 nan 0.000 0.435 222 D N -2.327 118.018 120.400 -0.093 0.000 2.629 222 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 222 D C 0.378 176.671 176.300 -0.012 0.000 1.126 222 D CA -0.511 53.453 54.000 -0.061 0.000 0.852 222 D CB 1.225 41.988 40.800 -0.062 0.000 1.335 222 D HN 0.024 nan 8.370 nan 0.000 0.518 223 F N 3.349 123.244 119.950 -0.091 0.000 2.094 223 F HA 0.046 4.573 4.527 -0.000 0.000 0.291 223 F C 2.072 177.892 175.800 0.033 0.000 1.109 223 F CA 1.590 59.582 58.000 -0.013 0.000 1.221 223 F CB -0.120 38.907 39.000 0.045 0.000 1.014 223 F HN 0.583 nan 8.300 nan 0.000 0.473 224 E N 0.367 120.550 120.200 -0.028 0.000 2.068 224 E HA -0.384 3.966 4.350 -0.000 0.000 0.207 224 E C 2.265 178.771 176.600 -0.157 0.000 1.032 224 E CA 1.849 58.186 56.400 -0.106 0.000 0.839 224 E CB -0.692 29.016 29.700 0.012 0.000 0.758 224 E HN 0.537 nan 8.360 nan 0.000 0.457 225 N N 0.117 118.750 118.700 -0.112 0.000 2.137 225 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 225 N C 1.833 177.241 175.510 -0.169 0.000 1.017 225 N CA 1.651 54.632 53.050 -0.115 0.000 0.859 225 N CB -0.063 38.370 38.487 -0.091 0.000 1.002 225 N HN 0.193 nan 8.380 nan 0.000 0.428 226 E N -0.442 119.598 120.200 -0.267 0.000 2.216 226 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 226 E C 2.057 178.489 176.600 -0.279 0.000 0.988 226 E CA 0.509 56.660 56.400 -0.414 0.000 0.834 226 E CB 0.107 29.332 29.700 -0.792 0.000 0.772 226 E HN 0.278 nan 8.360 nan 0.000 0.479 227 M N -0.033 119.430 119.600 -0.229 0.000 2.099 227 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 227 M C 2.293 178.564 176.300 -0.047 0.000 1.067 227 M CA 1.489 56.740 55.300 -0.082 0.000 1.124 227 M CB -1.015 31.411 32.600 -0.290 0.000 1.353 227 M HN 0.252 nan 8.290 nan 0.000 0.410 228 A N -0.205 122.564 122.820 -0.086 0.000 2.121 228 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 228 A C 2.048 179.610 177.584 -0.036 0.000 1.154 228 A CA 2.133 54.139 52.037 -0.052 0.000 0.679 228 A CB -0.727 18.240 19.000 -0.055 0.000 0.795 228 A HN 0.638 nan 8.150 nan 0.000 0.458 229 T N -5.779 108.747 114.554 -0.046 0.000 2.966 229 T HA 0.457 4.807 4.350 -0.000 0.000 0.254 229 T C 1.785 176.476 174.700 -0.015 0.000 0.961 229 T CA 0.901 62.979 62.100 -0.036 0.000 0.915 229 T CB -0.253 68.581 68.868 -0.057 0.000 1.186 229 T HN 0.432 nan 8.240 nan 0.000 0.505 230 A N 1.846 124.667 122.820 0.000 0.000 1.972 230 A HA 0.409 4.729 4.320 -0.000 0.000 0.219 230 A C 2.557 180.196 177.584 0.093 0.000 1.169 230 A CA 1.603 53.676 52.037 0.060 0.000 0.635 230 A CB -1.218 17.890 19.000 0.181 0.000 0.810 230 A HN 0.849 nan 8.150 nan 0.000 0.446 231 A N -0.347 122.521 122.820 0.080 0.000 2.248 231 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 231 A C 2.215 179.825 177.584 0.043 0.000 1.174 231 A CA 1.668 53.744 52.037 0.066 0.000 0.750 231 A CB -0.645 18.384 19.000 0.048 0.000 0.780 231 A HN 0.717 nan 8.150 nan 0.000 0.478 232 S N -0.878 114.841 115.700 0.031 0.000 2.470 232 S HA 0.045 4.515 4.470 -0.000 0.000 0.225 232 S C 1.074 175.687 174.600 0.022 0.000 1.006 232 S CA 0.755 58.966 58.200 0.019 0.000 0.934 232 S CB -0.367 62.836 63.200 0.006 0.000 0.778 232 S HN 0.422 nan 8.310 nan 0.000 0.517 233 S N 1.684 117.404 115.700 0.032 0.000 2.465 233 S HA 0.308 4.778 4.470 -0.000 0.000 0.279 233 S C 1.113 175.738 174.600 0.041 0.000 1.201 233 S CA 0.011 58.230 58.200 0.031 0.000 1.053 233 S CB 0.885 64.105 63.200 0.033 0.000 0.953 233 S HN 0.573 nan 8.310 nan 0.000 0.488 234 S N 3.730 119.449 115.700 0.032 0.000 2.595 234 S HA -0.008 4.462 4.470 -0.000 0.000 0.235 234 S C 1.134 175.759 174.600 0.042 0.000 0.974 234 S CA 0.722 58.942 58.200 0.035 0.000 0.942 234 S CB -0.171 63.044 63.200 0.025 0.000 0.766 234 S HN 0.568 nan 8.310 nan 0.000 0.536 235 S N 0.543 116.270 115.700 0.045 0.000 2.524 235 S HA 0.288 4.758 4.470 -0.000 0.000 0.215 235 S C 1.244 175.893 174.600 0.082 0.000 0.986 235 S CA -0.045 58.186 58.200 0.051 0.000 0.911 235 S CB 0.008 63.227 63.200 0.031 0.000 0.805 235 S HN 0.437 nan 8.310 nan 0.000 0.501 236 L N 2.281 123.564 121.223 0.100 0.000 2.017 236 L HA 0.107 4.447 4.340 -0.000 0.000 0.208 236 L C 0.550 177.506 176.870 0.144 0.000 1.073 236 L CA 1.711 56.645 54.840 0.156 0.000 0.745 236 L CB -0.327 41.833 42.059 0.169 0.000 0.894 236 L HN 0.061 nan 8.230 nan 0.000 0.432 237 E N 0.746 121.009 120.200 0.106 0.000 2.259 237 E HA 0.249 4.599 4.350 -0.000 0.000 0.281 237 E C -0.882 175.773 176.600 0.092 0.000 1.037 237 E CA -0.065 56.392 56.400 0.095 0.000 0.854 237 E CB 0.447 30.195 29.700 0.080 0.000 1.051 237 E HN 0.012 nan 8.360 nan 0.000 0.409 238 K N 2.012 122.471 120.400 0.098 0.000 2.378 238 K HA 0.406 4.726 4.320 -0.000 0.000 0.252 238 K C -0.852 175.809 176.600 0.102 0.000 0.931 238 K CA -0.739 55.606 56.287 0.097 0.000 0.794 238 K CB 2.074 34.640 32.500 0.110 0.000 1.181 238 K HN 0.406 nan 8.250 nan 0.000 0.425 239 S N 1.587 117.343 115.700 0.093 0.000 2.580 239 S HA 0.318 4.788 4.470 -0.000 0.000 0.274 239 S C -0.730 173.954 174.600 0.141 0.000 1.329 239 S CA -0.374 57.883 58.200 0.095 0.000 1.036 239 S CB 0.322 63.558 63.200 0.060 0.000 0.919 239 S HN 0.518 nan 8.310 nan 0.000 0.515 240 Y N 1.305 121.595 120.300 -0.016 0.000 2.361 240 Y HA 0.323 4.873 4.550 -0.000 0.000 0.328 240 Y C -0.553 175.332 175.900 -0.025 0.000 1.044 240 Y CA -0.605 57.482 58.100 -0.023 0.000 1.085 240 Y CB 1.102 39.538 38.460 -0.039 0.000 1.194 240 Y HN 0.702 nan 8.280 nan 0.000 0.438 241 E N 7.306 127.231 120.200 -0.459 0.000 2.052 241 E HA 0.301 4.651 4.350 -0.000 0.000 0.283 241 E C -0.637 175.728 176.600 -0.392 0.000 1.071 241 E CA -0.324 55.890 56.400 -0.311 0.000 0.851 241 E CB 0.472 30.033 29.700 -0.231 0.000 1.066 241 E HN 0.751 nan 8.360 nan 0.000 0.396 242 L N 5.060 126.244 121.223 -0.066 0.000 2.444 242 L HA 0.111 4.451 4.340 -0.000 0.000 0.251 242 L C -1.366 175.505 176.870 0.000 0.000 1.247 242 L CA -1.364 53.520 54.840 0.073 0.000 0.825 242 L CB -0.272 41.881 42.059 0.157 0.000 1.129 242 L HN 0.537 nan 8.230 nan 0.000 0.527 243 P HA -0.020 nan 4.420 nan 0.000 0.236 243 P C 0.448 177.757 177.300 0.014 0.000 1.177 243 P CA 0.474 63.584 63.100 0.017 0.000 0.773 243 P CB 0.112 31.833 31.700 0.034 0.000 0.878 244 D N -0.294 120.121 120.400 0.025 0.000 2.311 244 D HA -0.048 4.592 4.640 -0.000 0.000 0.212 244 D C 1.793 178.096 176.300 0.005 0.000 0.972 244 D CA 1.712 55.722 54.000 0.017 0.000 0.887 244 D CB -0.725 40.088 40.800 0.022 0.000 0.915 244 D HN 0.203 nan 8.370 nan 0.000 0.497 245 G N 0.345 109.142 108.800 -0.005 0.000 2.179 245 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 245 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 245 G C 0.337 175.232 174.900 -0.009 0.000 0.977 245 G CA 0.478 45.570 45.100 -0.014 0.000 0.641 245 G HN 0.468 nan 8.290 nan 0.000 0.533 246 Q N 0.606 120.408 119.800 0.003 0.000 2.288 246 Q HA 0.561 4.901 4.340 -0.000 0.000 0.254 246 Q C -0.081 175.928 176.000 0.015 0.000 0.932 246 Q CA -0.384 55.428 55.803 0.015 0.000 0.902 246 Q CB 1.514 30.268 28.738 0.027 0.000 1.203 246 Q HN 0.477 nan 8.270 nan 0.000 0.415 247 V N 6.910 126.837 119.914 0.021 0.000 2.347 247 V HA 0.408 4.528 4.120 -0.000 0.000 0.280 247 V C 0.042 176.157 176.094 0.035 0.000 1.021 247 V CA -0.665 61.650 62.300 0.024 0.000 0.847 247 V CB 0.297 32.132 31.823 0.020 0.000 0.990 247 V HN 0.827 nan 8.190 nan 0.000 0.444 248 I N 1.546 122.116 120.570 0.000 0.000 2.607 248 I HA 0.795 4.965 4.170 -0.000 0.000 0.305 248 I C 0.039 176.149 176.117 -0.011 0.000 0.995 248 I CA -0.237 60.989 61.300 -0.124 0.000 1.148 248 I CB 2.150 39.789 38.000 -0.601 0.000 1.323 248 I HN 0.442 nan 8.210 nan 0.000 0.461 249 T N 5.021 119.627 114.554 0.087 0.000 2.929 249 T HA 0.602 4.952 4.350 -0.000 0.000 0.284 249 T C -0.787 173.990 174.700 0.127 0.000 1.014 249 T CA -0.624 61.553 62.100 0.127 0.000 1.051 249 T CB 1.052 70.015 68.868 0.158 0.000 1.028 249 T HN 0.552 nan 8.240 nan 0.000 0.485 250 I N 2.936 123.563 120.570 0.095 0.000 2.534 250 I HA 0.519 4.689 4.170 -0.000 0.000 0.286 250 I C 0.283 176.439 176.117 0.066 0.000 1.094 250 I CA -0.237 61.103 61.300 0.067 0.000 1.055 250 I CB 1.292 39.290 38.000 -0.003 0.000 1.225 250 I HN 0.845 nan 8.210 nan 0.000 0.435 251 G N 5.605 114.432 108.800 0.044 0.000 3.157 251 G HA2 0.033 3.993 3.960 -0.000 0.000 0.206 251 G HA3 0.033 3.993 3.960 -0.000 0.000 0.206 251 G C 0.793 175.678 174.900 -0.025 0.000 1.903 251 G CA 0.345 45.473 45.100 0.046 0.000 0.771 251 G HN 0.609 nan 8.290 nan 0.000 0.750 252 N N 1.640 120.271 118.700 -0.116 0.000 2.573 252 N HA -0.090 4.650 4.740 -0.000 0.000 0.187 252 N C 1.450 176.529 175.510 -0.719 0.000 1.107 252 N CA 1.465 54.226 53.050 -0.480 0.000 0.918 252 N CB -0.264 37.996 38.487 -0.378 0.000 0.966 252 N HN 0.561 nan 8.380 nan 0.000 0.448 253 E N 0.535 120.527 120.200 -0.347 0.000 2.516 253 E HA -0.079 4.271 4.350 -0.000 0.000 0.199 253 E C 1.173 177.620 176.600 -0.256 0.000 1.069 253 E CA 0.163 56.391 56.400 -0.286 0.000 0.876 253 E CB -0.233 29.358 29.700 -0.181 0.000 0.843 253 E HN 0.466 nan 8.360 nan 0.000 0.530 254 R N 0.198 120.538 120.500 -0.266 0.000 2.093 254 R HA -0.012 4.328 4.340 -0.000 0.000 0.224 254 R C 1.825 177.952 176.300 -0.289 0.000 1.101 254 R CA 1.708 57.713 56.100 -0.158 0.000 0.979 254 R CB -0.249 30.075 30.300 0.039 0.000 0.877 254 R HN 0.348 nan 8.270 nan 0.000 0.441 255 F N -1.697 118.020 119.950 -0.389 0.000 2.704 255 F HA 0.389 4.916 4.527 -0.000 0.000 0.304 255 F C 1.610 177.405 175.800 -0.009 0.000 1.094 255 F CA -0.566 57.195 58.000 -0.397 0.000 1.275 255 F CB -0.000 38.639 39.000 -0.602 0.000 1.073 255 F HN -0.322 nan 8.300 nan 0.000 0.586 256 R N 0.024 120.368 120.500 -0.260 0.000 2.115 256 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 256 R C 2.318 178.753 176.300 0.225 0.000 1.100 256 R CA 1.308 57.471 56.100 0.105 0.000 0.980 256 R CB -0.920 29.369 30.300 -0.020 0.000 0.875 256 R HN 0.564 nan 8.270 nan 0.000 0.445 257 C N 1.358 120.705 119.300 0.079 0.000 2.455 257 C HA 0.004 4.464 4.460 -0.000 0.000 0.281 257 C C -0.653 174.357 174.990 0.035 0.000 1.237 257 C CA 0.679 59.793 59.018 0.161 0.000 1.726 257 C CB -0.924 26.831 27.740 0.024 0.000 2.068 257 C HN 0.264 nan 8.230 nan 0.000 0.466 258 P HA -0.030 nan 4.420 nan 0.000 0.229 258 P C 1.177 178.381 177.300 -0.161 0.000 1.160 258 P CA 1.309 64.190 63.100 -0.366 0.000 0.777 258 P CB -0.289 30.868 31.700 -0.906 0.000 0.814 259 E N 0.113 120.256 120.200 -0.094 0.000 2.219 259 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 259 E C 1.470 177.828 176.600 -0.403 0.000 0.998 259 E CA 1.702 57.993 56.400 -0.180 0.000 0.818 259 E CB -1.351 28.139 29.700 -0.351 0.000 0.741 259 E HN 0.130 nan 8.360 nan 0.000 0.477 260 T N 0.768 115.093 114.554 -0.382 0.000 2.778 260 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 260 T C 1.726 176.210 174.700 -0.361 0.000 1.050 260 T CA 1.391 63.211 62.100 -0.466 0.000 1.137 260 T CB -0.276 68.375 68.868 -0.362 0.000 0.860 260 T HN 0.188 nan 8.240 nan 0.000 0.468 261 L N -0.620 120.421 121.223 -0.302 0.000 2.131 261 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 261 L C 1.933 178.509 176.870 -0.489 0.000 1.092 261 L CA 1.356 55.951 54.840 -0.408 0.000 0.759 261 L CB -0.472 41.279 42.059 -0.514 0.000 0.903 261 L HN 0.259 nan 8.230 nan 0.000 0.435 262 F N -1.296 118.525 119.950 -0.215 0.000 2.746 262 F HA 0.120 4.647 4.527 -0.000 0.000 0.297 262 F C 0.996 176.679 175.800 -0.194 0.000 1.113 262 F CA 0.126 58.047 58.000 -0.131 0.000 1.367 262 F CB 0.293 39.148 39.000 -0.240 0.000 1.111 262 F HN -0.010 nan 8.300 nan 0.000 0.590 263 Q N 0.220 119.840 119.800 -0.300 0.000 3.484 263 Q HA 0.187 4.526 4.340 -0.000 0.000 0.255 263 Q C -2.186 173.512 176.000 -0.503 0.000 0.909 263 Q CA -1.383 54.136 55.803 -0.474 0.000 0.774 263 Q CB 1.234 29.420 28.738 -0.921 0.000 1.431 263 Q HN 0.032 nan 8.270 nan 0.000 0.423 264 P HA -0.203 nan 4.420 nan 0.000 0.223 264 P C 1.427 178.642 177.300 -0.143 0.000 1.144 264 P CA 1.306 64.272 63.100 -0.223 0.000 0.783 264 P CB 0.223 31.825 31.700 -0.162 0.000 0.771 265 S N -1.406 114.242 115.700 -0.087 0.000 2.419 265 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 265 S C 1.862 176.544 174.600 0.136 0.000 1.019 265 S CA 0.893 59.111 58.200 0.031 0.000 0.982 265 S CB -1.971 61.273 63.200 0.073 0.000 0.789 265 S HN 0.175 nan 8.310 nan 0.000 0.490 266 F N 2.038 121.866 119.950 -0.204 0.000 2.214 266 F HA -0.102 4.425 4.527 -0.000 0.000 0.302 266 F C 1.722 177.334 175.800 -0.313 0.000 1.063 266 F CA 1.057 58.884 58.000 -0.289 0.000 1.319 266 F CB -0.318 38.370 39.000 -0.519 0.000 1.046 266 F HN 0.384 nan 8.300 nan 0.000 0.505 267 I N -3.051 117.463 120.570 -0.093 0.000 3.491 267 I HA 0.514 4.684 4.170 -0.000 0.000 0.332 267 I C 0.689 176.786 176.117 -0.033 0.000 1.565 267 I CA -0.189 61.064 61.300 -0.079 0.000 1.050 267 I CB 0.345 38.267 38.000 -0.130 0.000 1.348 267 I HN 0.005 nan 8.210 nan 0.000 0.506 268 G N 2.527 111.320 108.800 -0.012 0.000 2.359 268 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.298 268 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.298 268 G C -0.285 174.599 174.900 -0.027 0.000 1.030 268 G CA 0.255 45.349 45.100 -0.010 0.000 1.149 268 G HN 0.541 nan 8.290 nan 0.000 0.512 269 M N -0.546 119.030 119.600 -0.041 0.000 2.197 269 M HA 0.295 4.775 4.480 -0.000 0.000 0.301 269 M C 0.959 177.229 176.300 -0.049 0.000 0.987 269 M CA -0.565 54.703 55.300 -0.053 0.000 0.921 269 M CB 1.711 34.264 32.600 -0.079 0.000 1.569 269 M HN 0.243 nan 8.290 nan 0.000 0.431 270 E N 0.680 120.856 120.200 -0.040 0.000 2.427 270 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 270 E C 0.746 177.319 176.600 -0.045 0.000 1.028 270 E CA 0.056 56.435 56.400 -0.034 0.000 0.864 270 E CB 0.394 30.079 29.700 -0.024 0.000 0.813 270 E HN 0.620 nan 8.360 nan 0.000 0.514 271 S N 0.528 116.193 115.700 -0.059 0.000 2.566 271 S HA 0.186 4.656 4.470 -0.000 0.000 0.280 271 S C 0.181 174.732 174.600 -0.082 0.000 1.343 271 S CA -0.259 57.898 58.200 -0.072 0.000 1.036 271 S CB 0.724 63.872 63.200 -0.087 0.000 0.866 271 S HN 0.200 nan 8.310 nan 0.000 0.526 272 A N 3.218 125.986 122.820 -0.088 0.000 2.304 272 A HA 0.656 4.976 4.320 -0.000 0.000 0.271 272 A C 0.846 178.347 177.584 -0.138 0.000 1.091 272 A CA -0.133 51.840 52.037 -0.106 0.000 0.812 272 A CB -0.204 18.733 19.000 -0.105 0.000 1.056 272 A HN 1.194 nan 8.150 nan 0.000 0.489 273 G N -0.699 108.005 108.800 -0.160 0.000 2.562 273 G HA2 0.409 4.369 3.960 -0.000 0.000 0.275 273 G HA3 0.409 4.369 3.960 -0.000 0.000 0.275 273 G C 1.006 175.805 174.900 -0.168 0.000 1.196 273 G CA -0.030 44.996 45.100 -0.124 0.000 0.908 273 G HN 1.190 nan 8.290 nan 0.000 0.524 274 I N -1.582 118.889 120.570 -0.164 0.000 2.335 274 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 274 I C 2.175 178.278 176.117 -0.023 0.000 1.129 274 I CA 2.031 63.230 61.300 -0.168 0.000 1.402 274 I CB -0.704 37.118 38.000 -0.297 0.000 1.069 274 I HN 0.754 nan 8.210 nan 0.000 0.424 275 H N 0.294 119.364 119.070 0.000 0.000 2.423 275 H HA -0.009 4.547 4.556 -0.000 0.000 0.297 275 H C 2.030 177.424 175.328 0.110 0.000 1.075 275 H CA 1.302 57.426 56.048 0.125 0.000 1.342 275 H CB -0.316 29.594 29.762 0.245 0.000 1.395 275 H HN 0.503 nan 8.280 nan 0.000 0.530 276 E N 0.648 120.558 120.200 -0.484 0.000 2.190 276 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 276 E C 2.133 178.697 176.600 -0.060 0.000 0.978 276 E CA 1.163 57.401 56.400 -0.270 0.000 0.839 276 E CB 0.216 29.684 29.700 -0.388 0.000 0.787 276 E HN 0.696 nan 8.360 nan 0.000 0.473 277 T N -1.773 112.723 114.554 -0.096 0.000 2.746 277 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 277 T C 1.980 176.664 174.700 -0.026 0.000 1.039 277 T CA 1.636 63.700 62.100 -0.060 0.000 1.142 277 T CB -0.849 67.968 68.868 -0.084 0.000 0.866 277 T HN -0.014 nan 8.240 nan 0.000 0.444 278 T N 1.180 115.734 114.554 -0.000 0.000 2.597 278 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 278 T C 1.486 176.205 174.700 0.033 0.000 1.053 278 T CA 1.979 64.091 62.100 0.021 0.000 1.165 278 T CB -0.862 68.049 68.868 0.071 0.000 0.863 278 T HN 0.540 nan 8.240 nan 0.000 0.427 279 Y N 2.743 123.031 120.300 -0.019 0.000 2.128 279 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 279 Y C 2.260 178.142 175.900 -0.030 0.000 1.154 279 Y CA 1.460 59.561 58.100 0.001 0.000 1.149 279 Y CB -0.621 37.868 38.460 0.048 0.000 0.976 279 Y HN 0.122 nan 8.280 nan 0.000 0.505 280 N N -0.509 118.153 118.700 -0.063 0.000 2.205 280 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 280 N C 2.132 177.534 175.510 -0.181 0.000 1.015 280 N CA 1.426 54.386 53.050 -0.150 0.000 0.862 280 N CB -0.604 37.854 38.487 -0.047 0.000 0.986 280 N HN 0.381 nan 8.380 nan 0.000 0.429 281 S N 0.268 115.884 115.700 -0.140 0.000 2.357 281 S HA 0.132 4.602 4.470 -0.000 0.000 0.221 281 S C 1.966 176.465 174.600 -0.169 0.000 1.031 281 S CA 0.273 58.398 58.200 -0.125 0.000 0.982 281 S CB -0.120 63.026 63.200 -0.092 0.000 0.853 281 S HN 0.193 nan 8.310 nan 0.000 0.458 282 I N 1.472 121.905 120.570 -0.229 0.000 2.208 282 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 282 I C 2.132 178.085 176.117 -0.274 0.000 1.097 282 I CA 1.070 62.192 61.300 -0.297 0.000 1.363 282 I CB -0.251 37.467 38.000 -0.471 0.000 1.051 282 I HN 0.357 nan 8.210 nan 0.000 0.413 283 M N 0.050 119.445 119.600 -0.342 0.000 2.562 283 M HA -0.089 4.391 4.480 -0.000 0.000 0.257 283 M C 1.725 177.917 176.300 -0.179 0.000 1.099 283 M CA 1.334 56.453 55.300 -0.302 0.000 1.099 283 M CB -0.843 31.477 32.600 -0.466 0.000 1.427 283 M HN 0.128 nan 8.290 nan 0.000 0.489 284 K N -0.757 119.552 120.400 -0.152 0.000 2.487 284 K HA 0.076 4.395 4.320 -0.000 0.000 0.192 284 K C 0.196 176.745 176.600 -0.086 0.000 1.027 284 K CA -0.115 56.114 56.287 -0.097 0.000 1.054 284 K CB 0.112 32.569 32.500 -0.072 0.000 0.824 284 K HN 0.254 nan 8.250 nan 0.000 0.510 285 C N 0.973 120.211 119.300 -0.104 0.000 2.399 285 C HA 0.205 4.665 4.460 -0.000 0.000 0.348 285 C C 0.297 175.235 174.990 -0.087 0.000 1.183 285 C CA -1.674 57.287 59.018 -0.095 0.000 2.023 285 C CB 1.052 28.730 27.740 -0.105 0.000 2.361 285 C HN 0.424 nan 8.230 nan 0.000 0.521 286 D N 1.046 121.393 120.400 -0.089 0.000 2.533 286 D HA -0.068 4.572 4.640 -0.000 0.000 0.236 286 D C 1.119 177.382 176.300 -0.061 0.000 1.137 286 D CA 0.276 54.230 54.000 -0.077 0.000 0.867 286 D CB 0.488 41.231 40.800 -0.094 0.000 1.170 286 D HN 0.667 nan 8.370 nan 0.000 0.474 287 I N 3.389 123.937 120.570 -0.036 0.000 2.300 287 I HA -0.326 3.844 4.170 -0.000 0.000 0.252 287 I C 1.050 177.168 176.117 0.002 0.000 1.119 287 I CA 1.465 62.761 61.300 -0.007 0.000 1.384 287 I CB 0.170 38.172 38.000 0.004 0.000 1.062 287 I HN 0.381 nan 8.210 nan 0.000 0.426 288 D N 0.653 121.041 120.400 -0.020 0.000 2.277 288 D HA -0.072 4.568 4.640 -0.000 0.000 0.208 288 D C 1.898 178.190 176.300 -0.012 0.000 0.962 288 D CA 1.485 55.478 54.000 -0.012 0.000 0.865 288 D CB -0.028 40.757 40.800 -0.025 0.000 0.939 288 D HN 0.667 nan 8.370 nan 0.000 0.510 289 I N -2.490 118.049 120.570 -0.052 0.000 3.883 289 I HA 0.197 4.367 4.170 -0.000 0.000 0.326 289 I C 1.837 177.976 176.117 0.037 0.000 1.283 289 I CA -0.213 61.074 61.300 -0.023 0.000 1.161 289 I CB 0.218 38.100 38.000 -0.196 0.000 1.012 289 I HN -0.296 nan 8.210 nan 0.000 0.421 290 R N 1.814 122.333 120.500 0.032 0.000 2.081 290 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 290 R C 2.038 178.448 176.300 0.183 0.000 1.131 290 R CA 1.329 57.461 56.100 0.054 0.000 0.960 290 R CB -0.269 30.086 30.300 0.091 0.000 0.856 290 R HN 0.344 nan 8.270 nan 0.000 0.436 291 K N 0.764 121.284 120.400 0.201 0.000 2.089 291 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 291 K C 1.487 178.197 176.600 0.183 0.000 1.048 291 K CA 1.581 57.993 56.287 0.209 0.000 0.926 291 K CB -0.315 32.264 32.500 0.131 0.000 0.714 291 K HN 0.262 nan 8.250 nan 0.000 0.448 292 D N 0.743 121.230 120.400 0.145 0.000 2.178 292 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 292 D C 2.077 178.438 176.300 0.102 0.000 0.974 292 D CA 0.753 54.831 54.000 0.131 0.000 0.841 292 D CB -0.111 40.794 40.800 0.174 0.000 0.953 292 D HN 0.181 nan 8.370 nan 0.000 0.478 293 L N -0.675 120.585 121.223 0.062 0.000 2.131 293 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 293 L C 2.226 179.091 176.870 -0.009 0.000 1.087 293 L CA 0.618 55.446 54.840 -0.020 0.000 0.767 293 L CB -0.395 41.586 42.059 -0.129 0.000 0.917 293 L HN -0.023 nan 8.230 nan 0.000 0.441 294 Y N 0.347 120.680 120.300 0.056 0.000 2.333 294 Y HA -0.148 4.402 4.550 -0.000 0.000 0.290 294 Y C 2.394 178.326 175.900 0.053 0.000 1.144 294 Y CA 1.020 59.156 58.100 0.059 0.000 1.228 294 Y CB -0.293 38.204 38.460 0.062 0.000 0.985 294 Y HN 0.122 nan 8.280 nan 0.000 0.542 295 A N -1.187 121.753 122.820 0.199 0.000 2.348 295 A HA 0.167 4.487 4.320 -0.000 0.000 0.224 295 A C 0.596 178.235 177.584 0.092 0.000 1.227 295 A CA -0.010 52.106 52.037 0.132 0.000 0.885 295 A CB -0.039 19.027 19.000 0.109 0.000 0.933 295 A HN 0.279 nan 8.150 nan 0.000 0.506 296 N N 1.509 120.257 118.700 0.081 0.000 2.679 296 N HA 0.086 4.826 4.740 -0.000 0.000 0.302 296 N C -1.341 174.193 175.510 0.041 0.000 1.941 296 N CA -0.203 52.879 53.050 0.054 0.000 0.875 296 N CB 0.413 38.925 38.487 0.042 0.000 1.278 296 N HN 0.270 nan 8.380 nan 0.000 0.490 297 N N 1.269 120.002 118.700 0.055 0.000 2.402 297 N HA 0.112 4.852 4.740 -0.000 0.000 0.259 297 N C -0.400 175.134 175.510 0.041 0.000 1.167 297 N CA 0.215 53.292 53.050 0.046 0.000 0.949 297 N CB 1.650 40.181 38.487 0.074 0.000 1.212 297 N HN 0.001 nan 8.380 nan 0.000 0.493 298 V N 4.353 124.281 119.914 0.024 0.000 2.370 298 V HA 0.324 4.444 4.120 -0.000 0.000 0.283 298 V C 0.561 176.665 176.094 0.016 0.000 1.023 298 V CA -0.547 61.765 62.300 0.021 0.000 0.857 298 V CB 1.329 33.159 31.823 0.010 0.000 0.985 298 V HN 0.516 nan 8.190 nan 0.000 0.443 299 M N 4.617 124.232 119.600 0.025 0.000 2.216 299 M HA 0.536 5.016 4.480 -0.000 0.000 0.356 299 M C 0.148 176.453 176.300 0.009 0.000 1.205 299 M CA 0.200 55.512 55.300 0.020 0.000 1.122 299 M CB 1.613 34.234 32.600 0.035 0.000 1.571 299 M HN 0.822 nan 8.290 nan 0.000 0.464 300 S N 1.390 117.088 115.700 -0.003 0.000 2.618 300 S HA 0.990 5.460 4.470 -0.000 0.000 0.277 300 S C -0.401 174.181 174.600 -0.029 0.000 1.138 300 S CA -0.265 57.927 58.200 -0.012 0.000 0.844 300 S CB 2.082 65.277 63.200 -0.009 0.000 1.127 300 S HN 1.310 nan 8.310 nan 0.000 0.474 301 G N -0.221 108.549 108.800 -0.051 0.000 2.629 301 G HA2 0.346 4.306 3.960 -0.000 0.000 0.686 301 G HA3 0.346 4.306 3.960 -0.000 0.000 0.686 301 G C 0.627 175.458 174.900 -0.115 0.000 1.232 301 G CA -0.105 44.949 45.100 -0.076 0.000 0.803 301 G HN 1.723 nan 8.290 nan 0.000 0.638 302 G N -0.881 107.831 108.800 -0.147 0.000 2.432 302 G HA2 0.075 4.035 3.960 -0.000 0.000 0.219 302 G HA3 0.075 4.035 3.960 -0.000 0.000 0.219 302 G C 1.578 176.360 174.900 -0.198 0.000 1.135 302 G CA 2.165 47.152 45.100 -0.188 0.000 0.767 302 G HN 1.323 nan 8.290 nan 0.000 0.550 303 T N 0.605 115.074 114.554 -0.141 0.000 3.148 303 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 303 T C 2.206 176.873 174.700 -0.054 0.000 1.134 303 T CA 1.285 63.316 62.100 -0.115 0.000 1.051 303 T CB -0.082 68.770 68.868 -0.026 0.000 0.959 303 T HN 0.508 nan 8.240 nan 0.000 0.525 304 T N -1.230 113.282 114.554 -0.070 0.000 3.145 304 T HA 0.230 4.580 4.350 -0.000 0.000 0.255 304 T C 1.680 176.363 174.700 -0.029 0.000 1.039 304 T CA -0.291 61.810 62.100 0.001 0.000 0.928 304 T CB -0.226 68.646 68.868 0.007 0.000 1.029 304 T HN 0.007 nan 8.240 nan 0.000 0.554 305 M N 0.780 120.277 119.600 -0.172 0.000 2.394 305 M HA 0.235 4.715 4.480 -0.000 0.000 0.264 305 M C -0.127 176.114 176.300 -0.099 0.000 1.073 305 M CA -0.253 54.946 55.300 -0.169 0.000 1.111 305 M CB -1.153 31.302 32.600 -0.241 0.000 1.401 305 M HN 0.370 nan 8.290 nan 0.000 0.448 306 Y N 1.527 121.865 120.300 0.062 0.000 2.805 306 Y HA -0.007 4.543 4.550 -0.000 0.000 0.331 306 Y C -1.646 174.324 175.900 0.117 0.000 1.241 306 Y CA -1.744 56.418 58.100 0.104 0.000 1.546 306 Y CB -0.786 37.751 38.460 0.128 0.000 1.248 306 Y HN 0.118 nan 8.280 nan 0.000 0.559 307 P HA 0.008 nan 4.420 nan 0.000 0.265 307 P C 0.810 178.248 177.300 0.230 0.000 1.187 307 P CA 1.515 64.734 63.100 0.197 0.000 0.766 307 P CB 0.609 32.398 31.700 0.148 0.000 0.820 308 G N 2.349 111.238 108.800 0.149 0.000 2.199 308 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 308 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 308 G C 0.885 175.862 174.900 0.129 0.000 0.982 308 G CA 0.242 45.418 45.100 0.127 0.000 0.632 308 G HN 0.554 nan 8.290 nan 0.000 0.529 309 I N 0.951 121.632 120.570 0.184 0.000 2.353 309 I HA 0.187 4.357 4.170 -0.000 0.000 0.248 309 I C 2.928 179.149 176.117 0.175 0.000 1.119 309 I CA 2.081 63.516 61.300 0.225 0.000 1.417 309 I CB -0.196 37.980 38.000 0.293 0.000 1.078 309 I HN 0.345 nan 8.210 nan 0.000 0.421 310 A N 0.202 123.098 122.820 0.127 0.000 1.877 310 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 310 A C 1.905 179.533 177.584 0.074 0.000 1.186 310 A CA 2.324 54.420 52.037 0.098 0.000 0.620 310 A CB -0.867 18.178 19.000 0.075 0.000 0.822 310 A HN 0.441 nan 8.150 nan 0.000 0.443 311 D N -1.059 119.371 120.400 0.051 0.000 2.117 311 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 311 D C 2.135 178.427 176.300 -0.015 0.000 0.987 311 D CA 1.550 55.561 54.000 0.017 0.000 0.829 311 D CB -0.179 40.624 40.800 0.006 0.000 0.961 311 D HN 0.398 nan 8.370 nan 0.000 0.460 312 R N 0.007 120.483 120.500 -0.041 0.000 2.115 312 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 312 R C 1.940 178.174 176.300 -0.110 0.000 1.111 312 R CA 1.078 57.077 56.100 -0.168 0.000 0.976 312 R CB -0.265 29.816 30.300 -0.366 0.000 0.870 312 R HN 0.111 nan 8.270 nan 0.000 0.445 313 M N -0.018 119.619 119.600 0.061 0.000 2.132 313 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 313 M C 2.118 178.479 176.300 0.101 0.000 1.065 313 M CA 1.546 56.939 55.300 0.156 0.000 1.122 313 M CB -0.770 31.958 32.600 0.214 0.000 1.365 313 M HN 0.198 nan 8.290 nan 0.000 0.411 314 Q N 1.228 121.070 119.800 0.070 0.000 2.029 314 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 314 Q C 1.950 177.966 176.000 0.027 0.000 0.999 314 Q CA 2.586 58.421 55.803 0.053 0.000 0.857 314 Q CB -0.381 28.378 28.738 0.035 0.000 0.926 314 Q HN 0.478 nan 8.270 nan 0.000 0.415 315 K N -0.597 119.796 120.400 -0.011 0.000 2.032 315 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 315 K C 1.820 178.399 176.600 -0.033 0.000 1.048 315 K CA 1.625 57.890 56.287 -0.037 0.000 0.927 315 K CB -0.118 32.338 32.500 -0.074 0.000 0.712 315 K HN 0.164 nan 8.250 nan 0.000 0.441 316 E N 0.870 121.046 120.200 -0.039 0.000 2.047 316 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 316 E C 2.153 178.807 176.600 0.090 0.000 0.987 316 E CA 0.879 57.276 56.400 -0.005 0.000 0.799 316 E CB -0.157 29.508 29.700 -0.057 0.000 0.752 316 E HN 0.364 nan 8.360 nan 0.000 0.449 317 I N 1.419 122.065 120.570 0.126 0.000 2.179 317 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 317 I C 2.285 178.453 176.117 0.084 0.000 1.088 317 I CA 1.243 62.643 61.300 0.166 0.000 1.357 317 I CB -1.716 36.422 38.000 0.230 0.000 1.051 317 I HN 0.066 nan 8.210 nan 0.000 0.409 318 T N 1.598 116.173 114.554 0.036 0.000 2.685 318 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 318 T C 1.980 176.658 174.700 -0.037 0.000 1.034 318 T CA 1.808 63.897 62.100 -0.018 0.000 1.149 318 T CB -0.387 68.470 68.868 -0.018 0.000 0.860 318 T HN 0.484 nan 8.240 nan 0.000 0.449 319 A N 0.521 123.323 122.820 -0.028 0.000 1.969 319 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 319 A C 2.236 179.766 177.584 -0.090 0.000 1.169 319 A CA 1.049 53.058 52.037 -0.048 0.000 0.635 319 A CB -0.530 18.449 19.000 -0.036 0.000 0.810 319 A HN 0.504 nan 8.150 nan 0.000 0.445 320 L N -1.128 120.021 121.223 -0.123 0.000 2.253 320 L HA 0.200 4.540 4.340 -0.000 0.000 0.205 320 L C 1.664 178.386 176.870 -0.247 0.000 1.078 320 L CA 0.219 54.857 54.840 -0.335 0.000 0.805 320 L CB -0.470 41.226 42.059 -0.605 0.000 0.963 320 L HN 0.342 nan 8.230 nan 0.000 0.459 321 A N 0.425 123.209 122.820 -0.059 0.000 2.406 321 A HA 0.347 4.667 4.320 -0.000 0.000 0.243 321 A C -2.054 175.481 177.584 -0.081 0.000 1.082 321 A CA -0.961 51.050 52.037 -0.044 0.000 0.786 321 A CB -0.658 18.106 19.000 -0.392 0.000 1.029 321 A HN -0.019 nan 8.150 nan 0.000 0.495 322 P HA -0.018 nan 4.420 nan 0.000 0.270 322 P C 1.098 178.348 177.300 -0.082 0.000 1.216 322 P CA 0.499 63.569 63.100 -0.051 0.000 0.788 322 P CB 0.451 32.130 31.700 -0.034 0.000 0.883 323 S N 0.296 115.966 115.700 -0.049 0.000 2.382 323 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 323 S C 1.315 175.885 174.600 -0.050 0.000 1.027 323 S CA 1.921 60.094 58.200 -0.045 0.000 0.991 323 S CB -0.913 62.271 63.200 -0.027 0.000 0.823 323 S HN 0.675 nan 8.310 nan 0.000 0.469 324 T N -1.016 113.509 114.554 -0.049 0.000 3.134 324 T HA 0.408 4.758 4.350 -0.000 0.000 0.260 324 T C 0.205 174.873 174.700 -0.055 0.000 1.027 324 T CA -0.413 61.662 62.100 -0.041 0.000 0.913 324 T CB -0.163 68.691 68.868 -0.023 0.000 1.046 324 T HN 0.297 nan 8.240 nan 0.000 0.553 325 M N 3.134 122.675 119.600 -0.098 0.000 2.228 325 M HA 0.271 4.751 4.480 -0.000 0.000 0.351 325 M C 0.155 176.384 176.300 -0.118 0.000 1.233 325 M CA -0.381 54.833 55.300 -0.143 0.000 1.129 325 M CB 0.607 33.014 32.600 -0.322 0.000 1.604 325 M HN 0.080 nan 8.290 nan 0.000 0.457 326 K N 6.317 126.681 120.400 -0.060 0.000 2.285 326 K HA 0.300 4.620 4.320 -0.000 0.000 0.286 326 K C -1.396 175.213 176.600 0.016 0.000 1.072 326 K CA -0.406 55.874 56.287 -0.011 0.000 0.913 326 K CB 0.209 32.722 32.500 0.022 0.000 1.067 326 K HN 0.672 nan 8.250 nan 0.000 0.479 327 I N 3.630 124.210 120.570 0.016 0.000 2.460 327 I HA 0.397 4.567 4.170 -0.000 0.000 0.298 327 I C -0.418 175.748 176.117 0.082 0.000 0.989 327 I CA -0.679 60.668 61.300 0.078 0.000 1.173 327 I CB 1.257 39.293 38.000 0.060 0.000 1.338 327 I HN 0.685 nan 8.210 nan 0.000 0.456 328 K N 6.047 126.512 120.400 0.109 0.000 2.651 328 K HA 0.427 4.747 4.320 -0.000 0.000 0.259 328 K C -1.780 174.871 176.600 0.085 0.000 1.017 328 K CA -0.483 55.853 56.287 0.082 0.000 0.897 328 K CB 1.455 33.997 32.500 0.070 0.000 1.262 328 K HN 0.410 nan 8.250 nan 0.000 0.460 329 I N 5.550 126.166 120.570 0.077 0.000 2.342 329 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 329 I C -0.047 176.107 176.117 0.061 0.000 1.010 329 I CA -0.743 60.602 61.300 0.075 0.000 1.308 329 I CB 0.696 38.745 38.000 0.081 0.000 1.400 329 I HN 0.516 nan 8.210 nan 0.000 0.488 330 I N 5.402 126.005 120.570 0.055 0.000 2.404 330 I HA 0.572 4.742 4.170 -0.000 0.000 0.293 330 I C 0.219 176.363 176.117 0.045 0.000 0.992 330 I CA -0.224 61.104 61.300 0.047 0.000 1.149 330 I CB 1.923 39.948 38.000 0.042 0.000 1.315 330 I HN 0.662 nan 8.210 nan 0.000 0.446 331 A N 7.030 129.877 122.820 0.044 0.000 2.702 331 A HA 0.774 5.094 4.320 -0.000 0.000 0.305 331 A C -2.705 174.902 177.584 0.039 0.000 1.213 331 A CA -1.273 50.790 52.037 0.042 0.000 0.745 331 A CB -0.030 19.000 19.000 0.050 0.000 1.161 331 A HN 0.434 nan 8.150 nan 0.000 0.445 332 P HA 0.305 nan 4.420 nan 0.000 0.276 332 P C -2.088 175.236 177.300 0.041 0.000 1.230 332 P CA -1.272 61.852 63.100 0.041 0.000 0.776 332 P CB 0.664 32.392 31.700 0.046 0.000 0.888 333 P HA -0.194 nan 4.420 nan 0.000 0.219 333 P C 0.311 177.645 177.300 0.057 0.000 1.144 333 P CA 1.448 64.574 63.100 0.044 0.000 0.806 333 P CB -0.054 31.674 31.700 0.046 0.000 0.771 334 E N -0.986 119.259 120.200 0.075 0.000 2.463 334 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 334 E C 1.572 178.233 176.600 0.101 0.000 1.041 334 E CA -0.208 56.266 56.400 0.124 0.000 0.879 334 E CB -0.540 29.247 29.700 0.146 0.000 0.997 334 E HN 0.350 nan 8.360 nan 0.000 0.478 335 R N 1.426 121.949 120.500 0.038 0.000 2.249 335 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 335 R C 1.750 178.015 176.300 -0.059 0.000 1.121 335 R CA 1.226 57.330 56.100 0.007 0.000 0.997 335 R CB -0.344 29.954 30.300 -0.002 0.000 0.867 335 R HN 0.077 nan 8.270 nan 0.000 0.465 336 K N 0.228 120.534 120.400 -0.157 0.000 2.283 336 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 336 K C 0.312 176.637 176.600 -0.459 0.000 1.048 336 K CA 1.200 57.249 56.287 -0.397 0.000 0.948 336 K CB 0.114 32.226 32.500 -0.648 0.000 0.742 336 K HN 0.299 nan 8.250 nan 0.000 0.458 337 Y N -0.896 119.428 120.300 0.040 0.000 2.527 337 Y HA 0.138 4.688 4.550 -0.000 0.000 0.247 337 Y C 1.825 177.806 175.900 0.136 0.000 1.138 337 Y CA -0.032 58.121 58.100 0.088 0.000 1.228 337 Y CB 0.493 38.995 38.460 0.069 0.000 1.252 337 Y HN 0.089 nan 8.280 nan 0.000 0.531 338 S N -1.139 114.676 115.700 0.191 0.000 2.420 338 S HA -0.172 4.298 4.470 -0.000 0.000 0.237 338 S C 1.889 176.562 174.600 0.122 0.000 1.023 338 S CA 1.449 59.735 58.200 0.143 0.000 0.991 338 S CB -0.988 62.259 63.200 0.079 0.000 0.792 338 S HN 0.202 nan 8.310 nan 0.000 0.488 339 V N 0.309 120.298 119.914 0.124 0.000 2.270 339 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 339 V C 2.139 178.299 176.094 0.111 0.000 1.043 339 V CA 1.831 64.183 62.300 0.086 0.000 1.014 339 V CB -0.953 30.913 31.823 0.071 0.000 0.645 339 V HN 0.745 nan 8.190 nan 0.000 0.447 340 W N 0.510 121.848 121.300 0.063 0.000 2.358 340 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 340 W C 2.172 178.716 176.519 0.042 0.000 1.208 340 W CA 1.861 59.241 57.345 0.059 0.000 1.274 340 W CB -0.209 29.304 29.460 0.089 0.000 1.138 340 W HN 0.179 nan 8.180 nan 0.000 0.515 341 I N 0.628 121.396 120.570 0.330 0.000 2.099 341 I HA -0.279 3.891 4.170 -0.000 0.000 0.239 341 I C 2.719 178.786 176.117 -0.084 0.000 1.066 341 I CA 1.895 63.292 61.300 0.161 0.000 1.324 341 I CB -1.335 36.811 38.000 0.243 0.000 1.037 341 I HN 0.178 nan 8.210 nan 0.000 0.401 342 G N 0.106 108.887 108.800 -0.031 0.000 2.450 342 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 342 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 342 G C 1.688 176.496 174.900 -0.153 0.000 1.130 342 G CA 0.887 45.960 45.100 -0.045 0.000 0.760 342 G HN 0.541 nan 8.290 nan 0.000 0.557 343 G N 0.112 108.759 108.800 -0.254 0.000 2.422 343 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 343 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 343 G C 2.037 176.653 174.900 -0.474 0.000 1.140 343 G CA 1.511 46.395 45.100 -0.358 0.000 0.775 343 G HN 0.544 nan 8.290 nan 0.000 0.545 344 S N -0.124 115.210 115.700 -0.610 0.000 2.406 344 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 344 S C 2.376 176.805 174.600 -0.285 0.000 1.030 344 S CA 0.491 58.371 58.200 -0.533 0.000 0.958 344 S CB -0.201 62.529 63.200 -0.783 0.000 0.811 344 S HN 0.313 nan 8.310 nan 0.000 0.489 345 I N 1.294 121.725 120.570 -0.231 0.000 2.127 345 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 345 I C 2.397 178.361 176.117 -0.256 0.000 1.075 345 I CA 1.230 62.427 61.300 -0.172 0.000 1.334 345 I CB -0.411 37.518 38.000 -0.119 0.000 1.040 345 I HN 0.329 nan 8.210 nan 0.000 0.405 346 L N 1.023 122.028 121.223 -0.363 0.000 2.017 346 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 346 L C 2.420 178.772 176.870 -0.863 0.000 1.073 346 L CA 2.177 56.639 54.840 -0.630 0.000 0.745 346 L CB -0.627 41.002 42.059 -0.717 0.000 0.894 346 L HN 0.208 nan 8.230 nan 0.000 0.432 347 A N -2.068 120.365 122.820 -0.646 0.000 2.168 347 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 347 A C 2.257 179.844 177.584 0.006 0.000 1.152 347 A CA 1.414 53.249 52.037 -0.337 0.000 0.716 347 A CB -0.537 18.449 19.000 -0.023 0.000 0.794 347 A HN 0.504 nan 8.150 nan 0.000 0.465 348 S N -0.569 115.083 115.700 -0.080 0.000 2.528 348 S HA 0.239 4.709 4.470 -0.000 0.000 0.219 348 S C 0.511 175.122 174.600 0.018 0.000 0.985 348 S CA -0.174 58.030 58.200 0.007 0.000 0.914 348 S CB -0.200 62.987 63.200 -0.023 0.000 0.776 348 S HN 0.484 nan 8.310 nan 0.000 0.526 349 L N 2.490 123.697 121.223 -0.027 0.000 2.360 349 L HA 0.170 4.510 4.340 -0.000 0.000 0.276 349 L C 1.664 178.583 176.870 0.082 0.000 1.121 349 L CA -0.529 54.308 54.840 -0.005 0.000 0.845 349 L CB 0.981 42.995 42.059 -0.073 0.000 1.143 349 L HN 0.242 nan 8.230 nan 0.000 0.452 350 S N 0.475 116.207 115.700 0.053 0.000 2.365 350 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 350 S C 1.799 176.426 174.600 0.045 0.000 1.039 350 S CA 1.692 59.927 58.200 0.057 0.000 1.033 350 S CB -0.859 62.359 63.200 0.030 0.000 0.887 350 S HN 0.852 nan 8.310 nan 0.000 0.447 351 T N -1.656 112.911 114.554 0.022 0.000 3.025 351 T HA -0.009 4.341 4.350 -0.000 0.000 0.270 351 T C 1.235 175.933 174.700 -0.003 0.000 1.126 351 T CA 0.936 63.035 62.100 -0.001 0.000 1.105 351 T CB -0.714 68.143 68.868 -0.019 0.000 0.884 351 T HN 0.445 nan 8.240 nan 0.000 0.522 352 F N 1.465 121.326 119.950 -0.150 0.000 2.698 352 F HA 0.246 4.773 4.527 -0.000 0.000 0.295 352 F C 2.206 177.852 175.800 -0.257 0.000 1.124 352 F CA -0.049 57.797 58.000 -0.257 0.000 1.426 352 F CB -0.081 38.711 39.000 -0.346 0.000 1.120 352 F HN -0.050 nan 8.300 nan 0.000 0.583 353 Q N 1.011 120.737 119.800 -0.122 0.000 2.170 353 Q HA -0.241 4.099 4.340 -0.000 0.000 0.203 353 Q C 2.015 177.971 176.000 -0.074 0.000 0.976 353 Q CA 1.904 57.702 55.803 -0.008 0.000 0.858 353 Q CB -0.903 27.927 28.738 0.154 0.000 0.907 353 Q HN 0.708 nan 8.270 nan 0.000 0.433 354 Q N -0.962 118.755 119.800 -0.139 0.000 2.437 354 Q HA 0.002 4.342 4.340 -0.000 0.000 0.210 354 Q C 1.586 177.480 176.000 -0.176 0.000 0.972 354 Q CA 0.779 56.522 55.803 -0.101 0.000 0.903 354 Q CB -0.214 28.482 28.738 -0.070 0.000 0.967 354 Q HN 0.330 nan 8.270 nan 0.000 0.486 355 M N -0.649 118.671 119.600 -0.467 0.000 2.510 355 M HA 0.112 4.592 4.480 -0.000 0.000 0.256 355 M C -0.340 175.750 176.300 -0.350 0.000 1.132 355 M CA 0.017 55.016 55.300 -0.501 0.000 1.105 355 M CB 0.232 32.352 32.600 -0.800 0.000 1.375 355 M HN 0.153 nan 8.290 nan 0.000 0.477 356 W N 1.963 123.065 121.300 -0.330 0.000 2.343 356 W HA 0.045 4.705 4.660 -0.000 0.000 0.337 356 W C -0.024 176.544 176.519 0.082 0.000 1.320 356 W CA -0.439 56.881 57.345 -0.042 0.000 1.290 356 W CB -0.154 29.288 29.460 -0.029 0.000 1.206 356 W HN 0.039 nan 8.180 nan 0.000 0.565 357 I N 3.130 123.971 120.570 0.453 0.000 2.696 357 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 357 I C 0.848 177.232 176.117 0.444 0.000 1.129 357 I CA 0.364 61.893 61.300 0.382 0.000 1.410 357 I CB 0.543 38.790 38.000 0.412 0.000 1.399 357 I HN 0.281 nan 8.210 nan 0.000 0.579 358 T N 4.000 118.726 114.554 0.288 0.000 2.924 358 T HA 0.203 4.552 4.350 -0.000 0.000 0.291 358 T C 0.880 175.556 174.700 -0.039 0.000 1.045 358 T CA -0.671 61.539 62.100 0.183 0.000 1.015 358 T CB 1.788 70.719 68.868 0.105 0.000 1.103 358 T HN 0.498 nan 8.240 nan 0.000 0.496 359 K N 1.355 121.725 120.400 -0.050 0.000 2.001 359 K HA -0.143 4.177 4.320 -0.000 0.000 0.214 359 K C 2.072 178.568 176.600 -0.173 0.000 1.050 359 K CA 1.666 57.817 56.287 -0.226 0.000 0.934 359 K CB -0.378 32.095 32.500 -0.045 0.000 0.718 359 K HN 0.681 nan 8.250 nan 0.000 0.443 360 Q N 0.774 120.528 119.800 -0.077 0.000 2.045 360 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 360 Q C 1.891 177.849 176.000 -0.070 0.000 0.991 360 Q CA 2.049 57.817 55.803 -0.059 0.000 0.851 360 Q CB -0.088 28.632 28.738 -0.030 0.000 0.911 360 Q HN 0.394 nan 8.270 nan 0.000 0.418 361 E N -0.710 119.461 120.200 -0.049 0.000 2.097 361 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 361 E C 1.821 178.380 176.600 -0.068 0.000 1.000 361 E CA 1.493 57.874 56.400 -0.032 0.000 0.804 361 E CB -0.318 29.397 29.700 0.026 0.000 0.740 361 E HN 0.434 nan 8.360 nan 0.000 0.454 362 Y N 2.124 122.248 120.300 -0.293 0.000 2.181 362 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 362 Y C 1.094 176.859 175.900 -0.226 0.000 1.146 362 Y CA 2.108 59.986 58.100 -0.370 0.000 1.164 362 Y CB -0.100 37.777 38.460 -0.971 0.000 0.982 362 Y HN 0.051 nan 8.280 nan 0.000 0.515 363 D N -0.288 119.935 120.400 -0.295 0.000 2.324 363 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 363 D C 0.573 176.746 176.300 -0.212 0.000 1.095 363 D CA 0.661 54.487 54.000 -0.290 0.000 0.871 363 D CB -0.368 40.350 40.800 -0.137 0.000 0.906 363 D HN 0.734 nan 8.370 nan 0.000 0.522 364 E N -0.411 119.674 120.200 -0.191 0.000 2.758 364 E HA 0.476 4.826 4.350 -0.000 0.000 0.215 364 E C 0.589 177.114 176.600 -0.126 0.000 0.985 364 E CA -0.364 55.957 56.400 -0.131 0.000 1.102 364 E CB 0.779 30.428 29.700 -0.085 0.000 1.042 364 E HN 0.199 nan 8.360 nan 0.000 0.480 365 A N 0.666 123.381 122.820 -0.176 0.000 2.736 365 A HA 0.572 4.892 4.320 -0.000 0.000 0.222 365 A C 1.065 178.542 177.584 -0.179 0.000 1.267 365 A CA 0.296 52.252 52.037 -0.134 0.000 1.026 365 A CB 0.300 19.256 19.000 -0.073 0.000 1.281 365 A HN 0.480 nan 8.150 nan 0.000 0.577 366 G N 0.638 109.234 108.800 -0.340 0.000 2.569 366 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.259 366 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.259 366 G C -1.455 173.237 174.900 -0.346 0.000 1.263 366 G CA 0.252 45.099 45.100 -0.422 0.000 0.928 366 G HN 0.256 nan 8.290 nan 0.000 0.572 367 P HA 0.180 nan 4.420 nan 0.000 0.236 367 P C 1.648 179.042 177.300 0.158 0.000 1.177 367 P CA 1.390 64.647 63.100 0.262 0.000 0.773 367 P CB 0.065 31.903 31.700 0.231 0.000 0.878 368 S N -0.336 115.402 115.700 0.063 0.000 2.537 368 S HA -0.059 4.411 4.470 -0.000 0.000 0.240 368 S C 1.433 176.085 174.600 0.086 0.000 0.981 368 S CA 0.459 58.693 58.200 0.056 0.000 0.948 368 S CB -1.004 62.196 63.200 -0.000 0.000 0.759 368 S HN 0.233 nan 8.310 nan 0.000 0.531 369 I N 1.083 121.716 120.570 0.105 0.000 3.749 369 I HA 0.132 4.302 4.170 -0.000 0.000 0.314 369 I C 1.048 177.249 176.117 0.140 0.000 1.267 369 I CA 0.335 61.705 61.300 0.117 0.000 1.169 369 I CB 0.160 38.221 38.000 0.101 0.000 1.009 369 I HN 0.080 nan 8.210 nan 0.000 0.444 370 V N 0.863 120.862 119.914 0.142 0.000 3.542 370 V HA 0.045 4.165 4.120 -0.000 0.000 0.296 370 V C 1.234 177.374 176.094 0.076 0.000 1.364 370 V CA -0.179 62.172 62.300 0.087 0.000 1.118 370 V CB -0.676 31.197 31.823 0.083 0.000 0.972 370 V HN 0.431 nan 8.190 nan 0.000 0.430 371 H N 0.000 119.086 119.070 0.027 0.000 2.539 371 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 371 H CA 0.000 56.062 56.048 0.024 0.000 1.023 371 H CB 0.000 29.778 29.762 0.027 0.000 1.292 371 H HN 0.000 nan 8.280 nan 0.000 0.496