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 1b3b_1_B DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMDLPFGGG DATA SEQUENCE KGGVRVDPKK LSRNELERLS RRFFSEIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDTYSMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKKAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKRG 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.596 174.600 -0.008 0.000 1.055 4 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 4 S CB 0.000 63.205 63.200 0.008 0.000 0.593 5 L N 1.660 122.893 121.223 0.017 0.000 2.079 5 L HA 0.076 4.416 4.340 -0.000 0.000 0.210 5 L C 2.041 178.919 176.870 0.014 0.000 1.081 5 L CA 2.246 57.106 54.840 0.033 0.000 0.752 5 L CB -1.326 40.763 42.059 0.050 0.000 0.896 5 L HN 0.917 nan 8.230 nan 0.000 0.433 6 Y N 0.594 120.804 120.300 -0.150 0.000 2.163 6 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 6 Y C 2.442 178.150 175.900 -0.320 0.000 1.136 6 Y CA 1.966 59.904 58.100 -0.269 0.000 1.147 6 Y CB -0.348 37.976 38.460 -0.227 0.000 0.987 6 Y HN 0.357 nan 8.280 nan 0.000 0.509 7 E N -0.313 119.683 120.200 -0.340 0.000 2.085 7 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 7 E C 2.233 178.626 176.600 -0.345 0.000 0.994 7 E CA 1.808 57.970 56.400 -0.397 0.000 0.801 7 E CB -0.257 29.332 29.700 -0.185 0.000 0.743 7 E HN 0.533 nan 8.360 nan 0.000 0.453 8 M N 0.207 119.678 119.600 -0.215 0.000 2.080 8 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 8 M C 2.553 178.751 176.300 -0.170 0.000 1.068 8 M CA 1.489 56.712 55.300 -0.127 0.000 1.109 8 M CB -0.326 32.261 32.600 -0.022 0.000 1.342 8 M HN 0.145 nan 8.290 nan 0.000 0.405 9 A N -0.048 122.585 122.820 -0.312 0.000 1.902 9 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 9 A C 2.233 179.356 177.584 -0.769 0.000 1.181 9 A CA 1.661 53.352 52.037 -0.575 0.000 0.623 9 A CB -1.004 17.334 19.000 -1.103 0.000 0.818 9 A HN 0.316 nan 8.150 nan 0.000 0.443 10 V N -0.095 119.274 119.914 -0.908 0.000 2.343 10 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 10 V C 2.459 178.427 176.094 -0.210 0.000 1.051 10 V CA 2.247 64.154 62.300 -0.654 0.000 1.036 10 V CB -0.777 30.648 31.823 -0.662 0.000 0.654 10 V HN 0.687 nan 8.190 nan 0.000 0.451 11 E N -0.263 119.808 120.200 -0.215 0.000 2.049 11 E HA -0.301 4.049 4.350 -0.000 0.000 0.198 11 E C 2.405 178.941 176.600 -0.108 0.000 1.007 11 E CA 1.745 58.069 56.400 -0.126 0.000 0.809 11 E CB -0.144 29.491 29.700 -0.108 0.000 0.749 11 E HN 0.597 nan 8.360 nan 0.000 0.450 12 Q N -0.576 119.168 119.800 -0.093 0.000 2.152 12 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 12 Q C 2.090 177.962 176.000 -0.213 0.000 0.985 12 Q CA 1.530 57.253 55.803 -0.133 0.000 0.863 12 Q CB -0.234 28.487 28.738 -0.028 0.000 0.904 12 Q HN 0.328 nan 8.270 nan 0.000 0.422 13 F N 1.742 121.548 119.950 -0.240 0.000 2.146 13 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 13 F C 1.709 177.403 175.800 -0.176 0.000 1.096 13 F CA 1.149 59.019 58.000 -0.217 0.000 1.275 13 F CB -0.248 38.780 39.000 0.047 0.000 1.008 13 F HN 0.025 nan 8.300 nan 0.000 0.480 14 N N 0.743 119.237 118.700 -0.342 0.000 2.223 14 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 14 N C 2.030 177.338 175.510 -0.337 0.000 1.016 14 N CA 0.916 53.732 53.050 -0.389 0.000 0.863 14 N CB -0.488 37.903 38.487 -0.160 0.000 0.983 14 N HN 0.374 nan 8.380 nan 0.000 0.429 15 R N 0.669 121.009 120.500 -0.266 0.000 2.082 15 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 15 R C 1.982 178.141 176.300 -0.236 0.000 1.136 15 R CA 1.707 57.683 56.100 -0.207 0.000 0.935 15 R CB -0.236 29.960 30.300 -0.175 0.000 0.842 15 R HN 0.199 nan 8.270 nan 0.000 0.430 16 A N 0.192 122.829 122.820 -0.304 0.000 1.969 16 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 16 A C 2.214 179.589 177.584 -0.348 0.000 1.169 16 A CA 1.432 53.292 52.037 -0.296 0.000 0.635 16 A CB -0.478 18.365 19.000 -0.261 0.000 0.810 16 A HN 0.511 nan 8.150 nan 0.000 0.445 17 A N -0.536 121.976 122.820 -0.513 0.000 2.015 17 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 17 A C 2.310 179.740 177.584 -0.258 0.000 1.163 17 A CA 1.864 53.611 52.037 -0.484 0.000 0.646 17 A CB -0.541 17.981 19.000 -0.796 0.000 0.806 17 A HN 0.433 nan 8.150 nan 0.000 0.448 18 S N -0.248 115.321 115.700 -0.218 0.000 2.446 18 S HA 0.072 4.542 4.470 -0.000 0.000 0.225 18 S C 1.637 176.195 174.600 -0.071 0.000 1.016 18 S CA 0.389 58.516 58.200 -0.122 0.000 0.943 18 S CB -0.116 63.018 63.200 -0.109 0.000 0.786 18 S HN 0.409 nan 8.310 nan 0.000 0.508 19 L N 1.580 122.751 121.223 -0.087 0.000 2.141 19 L HA 0.132 4.472 4.340 -0.000 0.000 0.209 19 L C 1.111 178.043 176.870 0.103 0.000 1.094 19 L CA 1.274 56.109 54.840 -0.009 0.000 0.763 19 L CB -0.905 41.102 42.059 -0.088 0.000 0.908 19 L HN 0.511 nan 8.230 nan 0.000 0.437 20 M N -2.385 117.229 119.600 0.024 0.000 2.644 20 M HA 0.355 4.835 4.480 -0.000 0.000 0.316 20 M C -0.677 175.651 176.300 0.047 0.000 1.200 20 M CA -0.657 54.712 55.300 0.115 0.000 0.944 20 M CB 1.604 34.232 32.600 0.047 0.000 1.691 20 M HN -0.217 nan 8.290 nan 0.000 0.471 21 D N 3.237 123.677 120.400 0.068 0.000 2.498 21 D HA 0.306 4.946 4.640 -0.000 0.000 0.229 21 D C -1.164 175.158 176.300 0.036 0.000 1.188 21 D CA 0.205 54.229 54.000 0.039 0.000 1.028 21 D CB 0.165 40.988 40.800 0.039 0.000 1.087 21 D HN 0.412 nan 8.370 nan 0.000 0.510 22 L N 2.507 123.740 121.223 0.017 0.000 2.287 22 L HA 0.234 4.574 4.340 -0.000 0.000 0.287 22 L C -0.084 176.808 176.870 0.036 0.000 1.022 22 L CA -0.653 54.206 54.840 0.030 0.000 0.814 22 L CB 1.177 43.242 42.059 0.009 0.000 1.217 22 L HN -0.015 nan 8.230 nan 0.000 0.420 23 E N 2.439 122.670 120.200 0.052 0.000 2.652 23 E HA -0.067 4.283 4.350 -0.000 0.000 0.255 23 E C 1.151 177.784 176.600 0.055 0.000 0.952 23 E CA 0.806 57.236 56.400 0.049 0.000 0.947 23 E CB 0.655 30.387 29.700 0.054 0.000 0.912 23 E HN 0.692 nan 8.360 nan 0.000 0.489 24 S N 3.282 119.007 115.700 0.043 0.000 2.365 24 S HA -0.233 4.237 4.470 -0.000 0.000 0.221 24 S C 1.486 176.123 174.600 0.062 0.000 1.037 24 S CA 1.825 60.053 58.200 0.046 0.000 1.060 24 S CB -0.247 62.973 63.200 0.032 0.000 0.974 24 S HN 0.760 nan 8.310 nan 0.000 0.427 25 D N 1.032 121.463 120.400 0.052 0.000 2.228 25 D HA -0.138 4.502 4.640 -0.000 0.000 0.203 25 D C 1.957 178.297 176.300 0.066 0.000 0.988 25 D CA 0.897 54.929 54.000 0.053 0.000 0.864 25 D CB -0.724 40.100 40.800 0.040 0.000 0.928 25 D HN 0.454 nan 8.370 nan 0.000 0.469 26 L N 0.877 122.145 121.223 0.075 0.000 2.068 26 L HA 0.162 4.502 4.340 -0.000 0.000 0.204 26 L C 2.514 179.464 176.870 0.134 0.000 1.076 26 L CA 1.753 56.647 54.840 0.090 0.000 0.753 26 L CB -1.009 41.104 42.059 0.089 0.000 0.910 26 L HN 0.082 nan 8.230 nan 0.000 0.439 27 A N -0.874 122.044 122.820 0.164 0.000 1.948 27 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 27 A C 2.200 179.945 177.584 0.268 0.000 1.177 27 A CA 1.791 53.992 52.037 0.274 0.000 0.636 27 A CB -0.640 18.500 19.000 0.234 0.000 0.815 27 A HN 0.508 nan 8.150 nan 0.000 0.449 28 E N -0.158 120.146 120.200 0.173 0.000 2.118 28 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 28 E C 2.344 179.016 176.600 0.120 0.000 0.992 28 E CA 1.727 58.211 56.400 0.141 0.000 0.804 28 E CB -0.573 29.184 29.700 0.094 0.000 0.741 28 E HN 0.655 nan 8.360 nan 0.000 0.458 29 V N -1.005 118.964 119.914 0.092 0.000 2.358 29 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 29 V C 2.377 178.485 176.094 0.023 0.000 1.047 29 V CA 1.281 63.608 62.300 0.044 0.000 1.035 29 V CB -0.884 30.952 31.823 0.021 0.000 0.658 29 V HN 0.132 nan 8.190 nan 0.000 0.452 30 L N -0.742 120.528 121.223 0.079 0.000 2.362 30 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 30 L C 2.909 179.823 176.870 0.073 0.000 1.134 30 L CA 1.361 56.240 54.840 0.066 0.000 0.807 30 L CB -0.640 41.553 42.059 0.225 0.000 0.927 30 L HN 0.306 nan 8.230 nan 0.000 0.447 31 R N 0.096 120.685 120.500 0.149 0.000 2.055 31 R HA 0.074 4.414 4.340 -0.000 0.000 0.221 31 R C 0.735 177.317 176.300 0.471 0.000 1.154 31 R CA 0.300 56.566 56.100 0.277 0.000 0.975 31 R CB 0.188 30.619 30.300 0.219 0.000 0.869 31 R HN 0.217 nan 8.270 nan 0.000 0.437 32 R N 1.898 122.566 120.500 0.280 0.000 2.543 32 R HA 0.128 4.468 4.340 -0.000 0.000 0.277 32 R C -2.278 174.124 176.300 0.169 0.000 1.074 32 R CA -1.468 54.784 56.100 0.254 0.000 1.076 32 R CB 0.234 30.613 30.300 0.131 0.000 0.993 32 R HN 0.150 nan 8.270 nan 0.000 0.459 33 P HA 0.030 nan 4.420 nan 0.000 0.279 33 P C -0.464 176.809 177.300 -0.045 0.000 1.239 33 P CA -0.329 62.831 63.100 0.100 0.000 0.789 33 P CB 1.283 33.059 31.700 0.128 0.000 0.933 34 K N 2.936 123.266 120.400 -0.117 0.000 2.025 34 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 34 K C 0.511 177.076 176.600 -0.059 0.000 1.049 34 K CA 1.115 57.346 56.287 -0.093 0.000 0.933 34 K CB 0.197 32.627 32.500 -0.116 0.000 0.714 34 K HN 0.421 nan 8.250 nan 0.000 0.438 35 R N -0.102 120.364 120.500 -0.057 0.000 2.673 35 R HA 0.411 4.751 4.340 -0.000 0.000 0.281 35 R C -1.700 174.577 176.300 -0.039 0.000 0.991 35 R CA -0.755 55.318 56.100 -0.045 0.000 0.896 35 R CB 2.723 32.992 30.300 -0.050 0.000 1.201 35 R HN -0.099 nan 8.270 nan 0.000 0.457 36 V N 4.006 123.904 119.914 -0.026 0.000 2.488 36 V HA 0.354 4.474 4.120 -0.000 0.000 0.293 36 V C -1.118 174.987 176.094 0.020 0.000 1.027 36 V CA -0.732 61.562 62.300 -0.010 0.000 0.862 36 V CB 1.807 33.614 31.823 -0.027 0.000 1.008 36 V HN 0.531 nan 8.190 nan 0.000 0.428 37 L N 6.796 128.044 121.223 0.042 0.000 2.325 37 L HA 0.704 5.044 4.340 -0.000 0.000 0.281 37 L C -0.733 176.217 176.870 0.132 0.000 1.004 37 L CA 0.061 54.933 54.840 0.053 0.000 0.823 37 L CB 1.212 43.270 42.059 -0.001 0.000 1.236 37 L HN 0.569 nan 8.230 nan 0.000 0.415 38 I N 6.211 126.867 120.570 0.143 0.000 2.354 38 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 38 I C -0.430 175.761 176.117 0.124 0.000 0.989 38 I CA -0.945 60.470 61.300 0.192 0.000 1.188 38 I CB 1.717 39.859 38.000 0.236 0.000 1.342 38 I HN 0.412 nan 8.210 nan 0.000 0.457 39 V N 2.359 122.355 119.914 0.137 0.000 2.769 39 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 39 V C -0.576 175.642 176.094 0.206 0.000 1.061 39 V CA -0.553 61.862 62.300 0.191 0.000 0.931 39 V CB 2.157 34.142 31.823 0.269 0.000 1.010 39 V HN 0.648 nan 8.190 nan 0.000 0.433 40 E N 4.284 124.587 120.200 0.172 0.000 2.207 40 E HA 0.423 4.773 4.350 -0.000 0.000 0.250 40 E C -1.363 175.319 176.600 0.137 0.000 0.890 40 E CA 0.004 56.437 56.400 0.054 0.000 0.749 40 E CB 1.853 31.556 29.700 0.005 0.000 1.193 40 E HN 0.794 nan 8.360 nan 0.000 0.423 41 F N 1.097 121.107 119.950 0.099 0.000 2.508 41 F HA 0.722 5.249 4.527 0.000 0.000 0.325 41 F C -2.623 173.251 175.800 0.124 0.000 1.090 41 F CA -3.118 54.943 58.000 0.100 0.000 0.945 41 F CB 1.361 40.432 39.000 0.119 0.000 1.156 41 F HN -0.003 nan 8.300 nan 0.000 0.463 42 P HA 0.364 nan 4.420 nan 0.000 0.286 42 P C -1.177 176.245 177.300 0.205 0.000 1.261 42 P CA -0.501 62.673 63.100 0.124 0.000 0.821 42 P CB 2.314 34.054 31.700 0.068 0.000 1.013 43 V N 3.470 123.481 119.914 0.162 0.000 2.525 43 V HA 0.361 4.481 4.120 -0.000 0.000 0.299 43 V C 0.551 176.657 176.094 0.020 0.000 1.034 43 V CA -0.851 61.517 62.300 0.115 0.000 0.863 43 V CB 1.690 33.558 31.823 0.075 0.000 0.999 43 V HN 0.522 nan 8.190 nan 0.000 0.423 44 R N 5.211 125.703 120.500 -0.013 0.000 2.370 44 R HA 0.370 4.710 4.340 -0.000 0.000 0.309 44 R C -0.164 176.103 176.300 -0.055 0.000 1.059 44 R CA -0.329 55.741 56.100 -0.051 0.000 0.981 44 R CB 0.416 30.698 30.300 -0.031 0.000 0.972 44 R HN 0.571 nan 8.270 nan 0.000 0.437 45 M N 2.948 122.498 119.600 -0.084 0.000 2.291 45 M HA 0.071 4.551 4.480 -0.000 0.000 0.324 45 M C 0.978 177.293 176.300 0.025 0.000 1.148 45 M CA -0.152 55.140 55.300 -0.014 0.000 1.104 45 M CB 0.879 33.501 32.600 0.037 0.000 1.483 45 M HN 0.623 nan 8.290 nan 0.000 0.467 46 D N 1.572 121.992 120.400 0.032 0.000 2.133 46 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 46 D C 0.956 177.283 176.300 0.045 0.000 0.997 46 D CA 1.997 56.013 54.000 0.026 0.000 0.840 46 D CB -0.227 40.585 40.800 0.020 0.000 0.947 46 D HN 0.713 nan 8.370 nan 0.000 0.452 47 D N -0.999 119.450 120.400 0.083 0.000 2.390 47 D HA 0.064 4.704 4.640 -0.000 0.000 0.235 47 D C 1.494 177.852 176.300 0.097 0.000 1.040 47 D CA 1.042 55.091 54.000 0.083 0.000 0.923 47 D CB -0.036 40.813 40.800 0.082 0.000 0.886 47 D HN 0.285 nan 8.370 nan 0.000 0.532 48 G N 0.290 109.143 108.800 0.089 0.000 2.358 48 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.224 48 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.224 48 G C 0.387 175.339 174.900 0.086 0.000 1.073 48 G CA 0.171 45.313 45.100 0.069 0.000 0.635 48 G HN 0.846 nan 8.290 nan 0.000 0.509 49 H N 1.688 120.761 119.070 0.005 0.000 2.771 49 H HA 0.549 5.105 4.556 -0.000 0.000 0.364 49 H C 0.151 175.488 175.328 0.015 0.000 1.133 49 H CA 0.541 56.592 56.048 0.005 0.000 1.423 49 H CB 0.836 30.596 29.762 -0.003 0.000 1.425 49 H HN 0.352 nan 8.280 nan 0.000 0.606 50 V N 2.961 122.704 119.914 -0.284 0.000 2.644 50 V HA 0.245 4.365 4.120 -0.000 0.000 0.295 50 V C 0.412 176.268 176.094 -0.396 0.000 1.053 50 V CA -0.608 61.515 62.300 -0.295 0.000 0.987 50 V CB 1.133 32.898 31.823 -0.096 0.000 1.006 50 V HN 0.897 nan 8.190 nan 0.000 0.472 51 E N 2.032 122.075 120.200 -0.262 0.000 2.263 51 E HA 0.580 4.930 4.350 -0.000 0.000 0.268 51 E C -1.610 174.926 176.600 -0.107 0.000 0.884 51 E CA -0.533 55.751 56.400 -0.194 0.000 0.766 51 E CB 2.155 31.759 29.700 -0.161 0.000 1.196 51 E HN 0.491 nan 8.360 nan 0.000 0.416 52 V N 4.682 124.456 119.914 -0.233 0.000 2.509 52 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 52 V C -0.474 175.331 176.094 -0.480 0.000 1.047 52 V CA -0.300 61.863 62.300 -0.228 0.000 0.952 52 V CB 0.406 32.125 31.823 -0.173 0.000 0.988 52 V HN 0.539 nan 8.190 nan 0.000 0.469 53 F N 0.979 120.537 119.950 -0.653 0.000 2.538 53 F HA 0.572 5.099 4.527 -0.000 0.000 0.325 53 F C 0.636 175.996 175.800 -0.734 0.000 1.066 53 F CA -0.618 56.959 58.000 -0.706 0.000 0.946 53 F CB 2.063 40.567 39.000 -0.827 0.000 1.199 53 F HN 0.321 nan 8.300 nan 0.000 0.473 54 T N 1.329 115.740 114.554 -0.239 0.000 2.799 54 T HA 0.653 5.003 4.350 -0.000 0.000 0.286 54 T C 0.049 174.615 174.700 -0.223 0.000 0.973 54 T CA -0.641 61.323 62.100 -0.227 0.000 1.035 54 T CB 1.123 69.853 68.868 -0.229 0.000 0.932 54 T HN 0.835 nan 8.240 nan 0.000 0.469 55 G N 1.902 110.624 108.800 -0.130 0.000 2.571 55 G HA2 0.693 4.653 3.960 -0.000 0.000 0.304 55 G HA3 0.693 4.653 3.960 -0.000 0.000 0.304 55 G C -1.913 172.894 174.900 -0.156 0.000 1.314 55 G CA -0.662 44.428 45.100 -0.016 0.000 0.975 55 G HN 0.641 nan 8.290 nan 0.000 0.485 56 Y N -0.125 120.364 120.300 0.315 0.000 2.545 56 Y HA 0.803 5.353 4.550 -0.000 0.000 0.348 56 Y C 0.209 176.241 175.900 0.221 0.000 1.002 56 Y CA -1.245 56.981 58.100 0.210 0.000 1.039 56 Y CB 3.060 41.586 38.460 0.111 0.000 1.271 56 Y HN 0.573 nan 8.280 nan 0.000 0.467 57 R N 1.170 121.833 120.500 0.272 0.000 2.518 57 R HA 0.669 5.009 4.340 -0.000 0.000 0.287 57 R C -2.631 173.697 176.300 0.047 0.000 1.135 57 R CA -0.470 55.702 56.100 0.120 0.000 0.967 57 R CB 1.293 31.593 30.300 0.001 0.000 1.212 57 R HN 0.524 nan 8.270 nan 0.000 0.422 58 V N 5.001 124.923 119.914 0.014 0.000 2.540 58 V HA 0.488 4.608 4.120 -0.000 0.000 0.302 58 V C -0.553 175.515 176.094 -0.044 0.000 1.035 58 V CA -0.747 61.538 62.300 -0.024 0.000 0.873 58 V CB 1.980 33.775 31.823 -0.048 0.000 0.992 58 V HN 0.686 nan 8.190 nan 0.000 0.428 59 Q N 3.309 123.077 119.800 -0.052 0.000 2.425 59 Q HA 0.359 4.699 4.340 -0.000 0.000 0.254 59 Q C 0.626 176.596 176.000 -0.049 0.000 1.032 59 Q CA -0.515 55.249 55.803 -0.066 0.000 0.798 59 Q CB 1.515 30.202 28.738 -0.086 0.000 1.210 59 Q HN 0.855 nan 8.270 nan 0.000 0.491 60 H N 3.021 122.002 119.070 -0.148 0.000 2.256 60 H HA -0.028 4.528 4.556 -0.000 0.000 0.301 60 H C -0.176 175.048 175.328 -0.173 0.000 1.062 60 H CA 1.404 57.355 56.048 -0.161 0.000 1.283 60 H CB 0.715 30.346 29.762 -0.219 0.000 1.379 60 H HN 0.488 nan 8.280 nan 0.000 0.493 61 N N -1.061 117.434 118.700 -0.341 0.000 2.229 61 N HA 0.203 4.943 4.740 -0.000 0.000 0.298 61 N C -0.526 174.863 175.510 -0.201 0.000 1.114 61 N CA -0.406 52.426 53.050 -0.365 0.000 0.776 61 N CB 2.426 40.626 38.487 -0.478 0.000 1.501 61 N HN 0.025 nan 8.380 nan 0.000 0.474 62 V N 1.522 121.345 119.914 -0.152 0.000 3.337 62 V HA 0.330 4.450 4.120 -0.000 0.000 0.307 62 V C 1.561 177.618 176.094 -0.062 0.000 1.505 62 V CA 0.405 62.650 62.300 -0.091 0.000 1.072 62 V CB -0.079 31.702 31.823 -0.070 0.000 0.929 62 V HN 0.752 nan 8.190 nan 0.000 0.455 63 A N 1.861 124.634 122.820 -0.078 0.000 1.884 63 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 63 A C 2.263 179.833 177.584 -0.023 0.000 1.197 63 A CA 2.235 54.244 52.037 -0.048 0.000 0.637 63 A CB -0.372 18.600 19.000 -0.047 0.000 0.827 63 A HN 0.532 nan 8.150 nan 0.000 0.450 64 R N -0.831 119.657 120.500 -0.020 0.000 2.236 64 R HA 0.249 4.589 4.340 -0.000 0.000 0.208 64 R C 0.965 177.271 176.300 0.010 0.000 1.036 64 R CA 0.639 56.738 56.100 -0.001 0.000 1.001 64 R CB -0.154 30.144 30.300 -0.003 0.000 0.896 64 R HN 0.604 nan 8.270 nan 0.000 0.464 65 G N 0.731 109.542 108.800 0.018 0.000 2.323 65 G HA2 0.087 4.047 3.960 -0.000 0.000 0.291 65 G HA3 0.087 4.047 3.960 -0.000 0.000 0.291 65 G C -3.113 171.823 174.900 0.059 0.000 1.278 65 G CA -1.079 44.058 45.100 0.061 0.000 0.860 65 G HN -0.228 nan 8.290 nan 0.000 0.504 66 P HA 0.443 nan 4.420 nan 0.000 0.271 66 P C 0.210 177.465 177.300 -0.075 0.000 1.216 66 P CA 0.405 63.511 63.100 0.009 0.000 0.776 66 P CB 1.061 32.754 31.700 -0.011 0.000 0.881 67 A N 3.146 125.892 122.820 -0.124 0.000 2.546 67 A HA 0.187 4.507 4.320 -0.000 0.000 0.243 67 A C 0.419 177.831 177.584 -0.287 0.000 1.063 67 A CA 0.557 52.493 52.037 -0.169 0.000 0.757 67 A CB -0.554 18.358 19.000 -0.146 0.000 0.991 67 A HN 0.459 nan 8.150 nan 0.000 0.503 68 K N 1.360 121.570 120.400 -0.317 0.000 2.426 68 K HA 0.674 4.994 4.320 -0.000 0.000 0.254 68 K C -0.367 176.068 176.600 -0.276 0.000 0.936 68 K CA 0.443 56.455 56.287 -0.458 0.000 0.801 68 K CB 1.735 33.763 32.500 -0.787 0.000 1.139 68 K HN 1.341 nan 8.250 nan 0.000 0.424 69 G N 1.361 110.021 108.800 -0.234 0.000 2.498 69 G HA2 0.442 4.402 3.960 -0.000 0.000 0.301 69 G HA3 0.442 4.402 3.960 -0.000 0.000 0.301 69 G C -0.544 174.299 174.900 -0.095 0.000 1.577 69 G CA -0.396 44.624 45.100 -0.134 0.000 0.868 69 G HN 0.721 nan 8.290 nan 0.000 0.599 70 G N -0.711 108.055 108.800 -0.056 0.000 2.683 70 G HA2 0.540 4.500 3.960 -0.000 0.000 0.260 70 G HA3 0.540 4.500 3.960 -0.000 0.000 0.260 70 G C -0.091 174.808 174.900 -0.001 0.000 1.238 70 G CA -0.485 44.597 45.100 -0.030 0.000 0.934 70 G HN 0.721 nan 8.290 nan 0.000 0.534 71 I N -0.259 120.313 120.570 0.004 0.000 2.569 71 I HA 0.413 4.583 4.170 -0.000 0.000 0.296 71 I C -0.144 175.929 176.117 -0.074 0.000 1.028 71 I CA -0.681 60.621 61.300 0.004 0.000 1.082 71 I CB 2.350 40.381 38.000 0.053 0.000 1.264 71 I HN 0.394 nan 8.210 nan 0.000 0.429 72 R N 4.822 125.286 120.500 -0.059 0.000 2.637 72 R HA 0.511 4.851 4.340 -0.000 0.000 0.291 72 R C -1.511 174.798 176.300 0.015 0.000 0.963 72 R CA -0.659 55.429 56.100 -0.021 0.000 0.901 72 R CB 2.018 32.361 30.300 0.072 0.000 1.160 72 R HN 0.519 nan 8.270 nan 0.000 0.457 73 Y N 2.706 123.072 120.300 0.110 0.000 2.575 73 Y HA 0.280 4.830 4.550 0.000 0.000 0.326 73 Y C -0.155 175.835 175.900 0.151 0.000 0.979 73 Y CA -0.661 57.492 58.100 0.088 0.000 1.286 73 Y CB 0.956 39.450 38.460 0.057 0.000 1.093 73 Y HN 0.421 nan 8.280 nan 0.000 0.501 74 H N 5.181 124.380 119.070 0.214 0.000 2.954 74 H HA 0.176 4.732 4.556 -0.000 0.000 0.361 74 H C -2.374 173.030 175.328 0.127 0.000 1.122 74 H CA -2.098 54.037 56.048 0.146 0.000 1.217 74 H CB 3.263 33.097 29.762 0.121 0.000 1.776 74 H HN 0.264 nan 8.280 nan 0.000 0.533 75 P HA -0.059 nan 4.420 nan 0.000 0.222 75 P C -0.373 177.058 177.300 0.219 0.000 1.147 75 P CA 0.893 64.051 63.100 0.095 0.000 0.790 75 P CB 0.571 32.258 31.700 -0.022 0.000 0.780 76 D N 0.285 120.977 120.400 0.487 0.000 2.460 76 D HA 0.300 4.940 4.640 -0.000 0.000 0.268 76 D C -0.676 175.750 176.300 0.211 0.000 1.153 76 D CA -0.274 53.918 54.000 0.320 0.000 0.929 76 D CB 1.508 42.483 40.800 0.292 0.000 1.015 76 D HN -0.109 nan 8.370 nan 0.000 0.502 77 V N 1.574 121.608 119.914 0.200 0.000 2.569 77 V HA 0.374 4.494 4.120 -0.000 0.000 0.301 77 V C 0.046 176.241 176.094 0.168 0.000 1.044 77 V CA -0.514 61.885 62.300 0.165 0.000 0.874 77 V CB 2.203 34.173 31.823 0.244 0.000 1.002 77 V HN 0.317 nan 8.190 nan 0.000 0.424 78 T N 3.963 118.530 114.554 0.022 0.000 2.895 78 T HA 0.413 4.763 4.350 -0.000 0.000 0.283 78 T C 0.882 175.374 174.700 -0.347 0.000 1.014 78 T CA -0.520 61.521 62.100 -0.099 0.000 1.037 78 T CB 2.156 70.988 68.868 -0.060 0.000 1.006 78 T HN 0.419 nan 8.240 nan 0.000 0.468 79 L N 1.371 122.228 121.223 -0.610 0.000 2.129 79 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 79 L C 1.905 178.552 176.870 -0.371 0.000 1.087 79 L CA 2.012 56.415 54.840 -0.727 0.000 0.757 79 L CB -0.702 41.022 42.059 -0.559 0.000 0.896 79 L HN 0.851 nan 8.230 nan 0.000 0.434 80 D N -0.899 119.358 120.400 -0.238 0.000 2.097 80 D HA -0.261 4.379 4.640 -0.000 0.000 0.195 80 D C 2.143 178.376 176.300 -0.112 0.000 0.989 80 D CA 1.406 55.317 54.000 -0.149 0.000 0.827 80 D CB -0.092 40.669 40.800 -0.065 0.000 0.966 80 D HN 0.560 nan 8.370 nan 0.000 0.456 81 E N -0.323 119.823 120.200 -0.089 0.000 2.077 81 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 81 E C 2.110 178.687 176.600 -0.039 0.000 0.989 81 E CA 1.016 57.395 56.400 -0.034 0.000 0.800 81 E CB 0.048 29.733 29.700 -0.025 0.000 0.746 81 E HN 0.174 nan 8.360 nan 0.000 0.452 82 V N 1.508 121.364 119.914 -0.096 0.000 2.261 82 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 82 V C 2.427 178.460 176.094 -0.101 0.000 1.047 82 V CA 2.129 64.385 62.300 -0.074 0.000 1.015 82 V CB -0.478 31.283 31.823 -0.104 0.000 0.642 82 V HN 0.256 nan 8.190 nan 0.000 0.446 83 K N -0.001 120.277 120.400 -0.203 0.000 2.020 83 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 83 K C 2.333 178.803 176.600 -0.216 0.000 1.050 83 K CA 1.681 57.781 56.287 -0.312 0.000 0.929 83 K CB -0.561 31.557 32.500 -0.637 0.000 0.714 83 K HN 0.473 nan 8.250 nan 0.000 0.443 84 A N 1.700 124.450 122.820 -0.117 0.000 1.873 84 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 84 A C 2.198 179.744 177.584 -0.063 0.000 1.193 84 A CA 1.564 53.572 52.037 -0.050 0.000 0.629 84 A CB -0.864 18.153 19.000 0.027 0.000 0.826 84 A HN 0.202 nan 8.150 nan 0.000 0.447 85 L N -0.997 120.283 121.223 0.095 0.000 1.989 85 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 85 L C 3.174 180.127 176.870 0.139 0.000 1.071 85 L CA 1.317 56.294 54.840 0.229 0.000 0.749 85 L CB -0.705 41.444 42.059 0.150 0.000 0.890 85 L HN 0.483 nan 8.230 nan 0.000 0.431 86 A N -0.163 122.668 122.820 0.017 0.000 1.883 86 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 86 A C 2.198 179.701 177.584 -0.135 0.000 1.186 86 A CA 1.783 53.794 52.037 -0.043 0.000 0.624 86 A CB -1.021 17.943 19.000 -0.058 0.000 0.822 86 A HN 0.424 nan 8.150 nan 0.000 0.444 87 F N -0.840 118.868 119.950 -0.402 0.000 2.115 87 F HA -0.272 4.255 4.527 0.000 0.000 0.300 87 F C 2.037 177.549 175.800 -0.479 0.000 1.092 87 F CA 2.056 59.630 58.000 -0.709 0.000 1.245 87 F CB -0.328 38.311 39.000 -0.602 0.000 0.995 87 F HN 0.454 nan 8.300 nan 0.000 0.481 88 W N -0.675 120.723 121.300 0.164 0.000 2.379 88 W HA -0.235 4.425 4.660 -0.000 0.000 0.307 88 W C 2.420 178.907 176.519 -0.055 0.000 1.200 88 W CA 0.279 57.755 57.345 0.219 0.000 1.297 88 W CB -0.474 29.134 29.460 0.247 0.000 1.140 88 W HN -0.062 nan 8.180 nan 0.000 0.507 89 M N 0.306 119.980 119.600 0.123 0.000 2.089 89 M HA -0.231 4.249 4.480 -0.000 0.000 0.257 89 M C 1.885 178.087 176.300 -0.163 0.000 1.071 89 M CA 1.990 57.282 55.300 -0.012 0.000 1.096 89 M CB -1.907 30.662 32.600 -0.052 0.000 1.330 89 M HN -0.058 nan 8.290 nan 0.000 0.403 90 T N -0.744 113.552 114.554 -0.430 0.000 2.699 90 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 90 T C 1.499 175.835 174.700 -0.606 0.000 1.036 90 T CA 1.814 63.520 62.100 -0.656 0.000 1.147 90 T CB -0.400 67.842 68.868 -1.043 0.000 0.862 90 T HN 0.573 nan 8.240 nan 0.000 0.446 91 W N 1.085 122.389 121.300 0.007 0.000 2.494 91 W HA 0.222 4.882 4.660 -0.000 0.000 0.286 91 W C 2.537 179.069 176.519 0.021 0.000 1.218 91 W CA -0.167 57.207 57.345 0.049 0.000 1.313 91 W CB -0.116 29.450 29.460 0.176 0.000 1.105 91 W HN 0.096 nan 8.180 nan 0.000 0.561 92 K N 0.791 121.299 120.400 0.179 0.000 1.991 92 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 92 K C 2.272 178.897 176.600 0.042 0.000 1.049 92 K CA 2.691 59.030 56.287 0.087 0.000 0.932 92 K CB -0.625 31.916 32.500 0.069 0.000 0.717 92 K HN 0.166 nan 8.250 nan 0.000 0.441 93 T N -0.952 113.614 114.554 0.020 0.000 2.665 93 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 93 T C 2.006 176.706 174.700 0.001 0.000 1.035 93 T CA 1.453 63.562 62.100 0.015 0.000 1.151 93 T CB -0.600 68.287 68.868 0.032 0.000 0.862 93 T HN 0.266 nan 8.240 nan 0.000 0.438 94 A N 0.943 123.778 122.820 0.026 0.000 1.883 94 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 94 A C 2.694 180.310 177.584 0.053 0.000 1.186 94 A CA 1.807 53.878 52.037 0.056 0.000 0.624 94 A CB -1.350 17.736 19.000 0.144 0.000 0.822 94 A HN 0.506 nan 8.150 nan 0.000 0.444 95 V N -0.514 119.437 119.914 0.061 0.000 2.594 95 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 95 V C 2.127 178.225 176.094 0.006 0.000 1.069 95 V CA 2.120 64.435 62.300 0.025 0.000 1.082 95 V CB -0.469 31.349 31.823 -0.009 0.000 0.680 95 V HN 0.520 nan 8.190 nan 0.000 0.469 96 M N -0.804 118.793 119.600 -0.005 0.000 2.558 96 M HA 0.145 4.625 4.480 -0.000 0.000 0.255 96 M C 1.152 177.426 176.300 -0.044 0.000 1.113 96 M CA 0.755 56.042 55.300 -0.020 0.000 1.097 96 M CB -1.120 31.457 32.600 -0.038 0.000 1.426 96 M HN 0.474 nan 8.290 nan 0.000 0.488 97 D N 0.957 121.329 120.400 -0.046 0.000 2.907 97 D HA -0.154 4.486 4.640 -0.000 0.000 0.226 97 D C -0.884 175.318 176.300 -0.165 0.000 1.141 97 D CA 0.360 54.322 54.000 -0.062 0.000 0.779 97 D CB -1.215 39.571 40.800 -0.023 0.000 1.095 97 D HN 0.304 nan 8.370 nan 0.000 0.430 98 L N 0.192 121.266 121.223 -0.248 0.000 2.334 98 L HA 0.436 4.776 4.340 -0.000 0.000 0.277 98 L C -1.191 175.408 176.870 -0.452 0.000 1.075 98 L CA -1.775 52.742 54.840 -0.538 0.000 0.804 98 L CB 0.746 42.454 42.059 -0.585 0.000 1.174 98 L HN -0.141 nan 8.230 nan 0.000 0.438 99 P HA 0.041 nan 4.420 nan 0.000 0.277 99 P C -0.583 176.534 177.300 -0.304 0.000 1.617 99 P CA 0.653 63.566 63.100 -0.311 0.000 0.829 99 P CB -0.425 31.189 31.700 -0.144 0.000 1.774 100 F N -0.707 119.160 119.950 -0.138 0.000 2.613 100 F HA 0.654 5.182 4.527 0.000 0.000 0.342 100 F C 1.546 177.252 175.800 -0.157 0.000 1.066 100 F CA -1.073 56.819 58.000 -0.180 0.000 1.002 100 F CB 1.698 40.570 39.000 -0.214 0.000 1.319 100 F HN -0.068 nan 8.300 nan 0.000 0.495 101 G N -0.599 108.235 108.800 0.057 0.000 3.039 101 G HA2 0.566 4.526 3.960 -0.000 0.000 0.159 101 G HA3 0.566 4.526 3.960 -0.000 0.000 0.159 101 G C -1.131 173.696 174.900 -0.122 0.000 1.284 101 G CA -0.740 44.321 45.100 -0.066 0.000 0.996 101 G HN 0.846 nan 8.290 nan 0.000 0.592 102 G N -1.314 107.393 108.800 -0.154 0.000 2.626 102 G HA2 0.666 4.626 3.960 -0.000 0.000 0.304 102 G HA3 0.666 4.626 3.960 -0.000 0.000 0.304 102 G C -0.525 174.305 174.900 -0.116 0.000 1.385 102 G CA 0.219 45.225 45.100 -0.157 0.000 0.957 102 G HN 1.130 nan 8.290 nan 0.000 0.504 103 G N 0.779 109.510 108.800 -0.114 0.000 2.704 103 G HA2 0.716 4.676 3.960 -0.000 0.000 0.293 103 G HA3 0.716 4.676 3.960 -0.000 0.000 0.293 103 G C -1.651 173.208 174.900 -0.068 0.000 1.421 103 G CA -0.619 44.424 45.100 -0.094 0.000 0.870 103 G HN 0.543 nan 8.290 nan 0.000 0.492 104 K N -1.140 119.237 120.400 -0.039 0.000 2.607 104 K HA 0.798 5.118 4.320 -0.000 0.000 0.287 104 K C -0.566 176.058 176.600 0.040 0.000 0.996 104 K CA -0.187 56.098 56.287 -0.004 0.000 0.876 104 K CB 2.149 34.653 32.500 0.007 0.000 1.496 104 K HN 1.391 nan 8.250 nan 0.000 0.415 105 G N -0.812 108.039 108.800 0.084 0.000 2.576 105 G HA2 0.691 4.651 3.960 -0.000 0.000 0.290 105 G HA3 0.691 4.651 3.960 -0.000 0.000 0.290 105 G C -1.120 173.882 174.900 0.170 0.000 1.442 105 G CA 0.019 45.227 45.100 0.181 0.000 0.792 105 G HN 0.733 nan 8.290 nan 0.000 0.491 106 G N -2.052 106.872 108.800 0.208 0.000 2.506 106 G HA2 0.672 4.632 3.960 -0.000 0.000 0.292 106 G HA3 0.672 4.632 3.960 -0.000 0.000 0.292 106 G C -2.022 172.855 174.900 -0.038 0.000 1.425 106 G CA -0.102 45.047 45.100 0.082 0.000 0.788 106 G HN 1.409 nan 8.290 nan 0.000 0.490 107 V N 0.544 120.469 119.914 0.019 0.000 2.623 107 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 107 V C 0.103 176.292 176.094 0.159 0.000 1.054 107 V CA -0.936 61.373 62.300 0.015 0.000 0.882 107 V CB 1.861 33.711 31.823 0.045 0.000 1.002 107 V HN 0.698 nan 8.190 nan 0.000 0.424 108 R N 2.672 123.237 120.500 0.109 0.000 2.459 108 R HA 0.490 4.830 4.340 -0.000 0.000 0.301 108 R C -0.875 175.530 176.300 0.176 0.000 1.286 108 R CA 0.235 56.424 56.100 0.149 0.000 1.046 108 R CB 0.628 30.987 30.300 0.097 0.000 1.071 108 R HN 0.531 nan 8.270 nan 0.000 0.512 109 V N 2.426 122.446 119.914 0.176 0.000 3.098 109 V HA 0.121 4.241 4.120 -0.000 0.000 0.294 109 V C -1.820 174.315 176.094 0.068 0.000 1.351 109 V CA -0.977 61.424 62.300 0.170 0.000 0.999 109 V CB 2.604 34.530 31.823 0.172 0.000 1.104 109 V HN 0.559 nan 8.190 nan 0.000 0.438 110 D N 6.840 127.265 120.400 0.042 0.000 2.443 110 D HA 0.508 5.148 4.640 -0.000 0.000 0.221 110 D C -1.378 174.911 176.300 -0.018 0.000 1.097 110 D CA -2.118 51.873 54.000 -0.016 0.000 0.865 110 D CB 2.086 42.869 40.800 -0.028 0.000 1.034 110 D HN 0.356 nan 8.370 nan 0.000 0.511 111 P HA -0.227 nan 4.420 nan 0.000 0.216 111 P C 0.919 178.210 177.300 -0.016 0.000 1.154 111 P CA 1.230 64.305 63.100 -0.043 0.000 0.865 111 P CB 0.265 31.973 31.700 0.012 0.000 0.789 112 K N -0.229 120.168 120.400 -0.006 0.000 2.281 112 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 112 K C 1.596 178.197 176.600 0.002 0.000 1.046 112 K CA 0.923 57.210 56.287 -0.000 0.000 0.938 112 K CB -0.160 32.337 32.500 -0.004 0.000 0.737 112 K HN 0.244 nan 8.250 nan 0.000 0.458 113 K N 0.405 120.807 120.400 0.004 0.000 2.374 113 K HA 0.182 4.502 4.320 -0.000 0.000 0.196 113 K C 0.502 177.115 176.600 0.022 0.000 1.023 113 K CA 0.177 56.473 56.287 0.015 0.000 1.103 113 K CB 0.417 32.931 32.500 0.022 0.000 0.848 113 K HN 0.111 nan 8.250 nan 0.000 0.528 114 L N 1.435 122.661 121.223 0.005 0.000 2.334 114 L HA 0.219 4.559 4.340 -0.000 0.000 0.276 114 L C 0.530 177.394 176.870 -0.010 0.000 1.014 114 L CA -0.781 54.055 54.840 -0.008 0.000 0.815 114 L CB 1.836 43.859 42.059 -0.059 0.000 1.268 114 L HN -0.033 nan 8.230 nan 0.000 0.428 115 S N 1.713 117.407 115.700 -0.011 0.000 2.592 115 S HA 0.163 4.633 4.470 -0.000 0.000 0.271 115 S C 1.025 175.619 174.600 -0.011 0.000 1.326 115 S CA -0.460 57.737 58.200 -0.005 0.000 1.024 115 S CB 1.412 64.609 63.200 -0.005 0.000 0.921 115 S HN 0.709 nan 8.310 nan 0.000 0.527 116 R N 2.861 123.373 120.500 0.019 0.000 2.119 116 R HA -0.206 4.134 4.340 -0.000 0.000 0.246 116 R C 1.599 177.891 176.300 -0.013 0.000 1.146 116 R CA 2.691 58.827 56.100 0.061 0.000 0.962 116 R CB -0.970 29.387 30.300 0.095 0.000 0.863 116 R HN 0.847 nan 8.270 nan 0.000 0.442 117 N N 0.109 118.780 118.700 -0.048 0.000 2.058 117 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 117 N C 1.496 176.902 175.510 -0.174 0.000 1.037 117 N CA 1.882 54.863 53.050 -0.116 0.000 0.848 117 N CB -0.171 38.273 38.487 -0.071 0.000 1.021 117 N HN 0.397 nan 8.380 nan 0.000 0.422 118 E N 0.138 120.266 120.200 -0.120 0.000 2.058 118 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 118 E C 1.879 178.353 176.600 -0.210 0.000 0.997 118 E CA 0.804 57.123 56.400 -0.135 0.000 0.801 118 E CB -0.211 29.443 29.700 -0.077 0.000 0.746 118 E HN 0.207 nan 8.360 nan 0.000 0.450 119 L N 1.510 122.617 121.223 -0.193 0.000 2.046 119 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 119 L C 2.357 179.023 176.870 -0.340 0.000 1.077 119 L CA 1.881 56.588 54.840 -0.221 0.000 0.747 119 L CB -0.263 41.758 42.059 -0.064 0.000 0.896 119 L HN 0.104 nan 8.230 nan 0.000 0.432 120 E N -0.579 119.242 120.200 -0.632 0.000 2.051 120 E HA -0.279 4.071 4.350 -0.000 0.000 0.192 120 E C 2.377 178.549 176.600 -0.712 0.000 0.991 120 E CA 1.187 56.773 56.400 -1.357 0.000 0.799 120 E CB -0.097 28.577 29.700 -1.710 0.000 0.748 120 E HN 0.479 nan 8.360 nan 0.000 0.449 121 R N 0.341 120.573 120.500 -0.447 0.000 2.080 121 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 121 R C 2.768 178.965 176.300 -0.172 0.000 1.137 121 R CA 1.574 57.517 56.100 -0.262 0.000 0.943 121 R CB -0.514 29.677 30.300 -0.181 0.000 0.846 121 R HN 0.297 nan 8.270 nan 0.000 0.431 122 L N 0.261 121.370 121.223 -0.190 0.000 2.042 122 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 122 L C 2.230 179.100 176.870 0.001 0.000 1.076 122 L CA 1.717 56.486 54.840 -0.118 0.000 0.749 122 L CB -0.323 41.512 42.059 -0.372 0.000 0.893 122 L HN 0.082 nan 8.230 nan 0.000 0.432 123 S N -0.371 115.325 115.700 -0.007 0.000 2.370 123 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 123 S C 1.971 176.762 174.600 0.317 0.000 1.033 123 S CA 1.512 59.862 58.200 0.249 0.000 1.011 123 S CB -0.201 63.075 63.200 0.126 0.000 0.852 123 S HN 0.495 nan 8.310 nan 0.000 0.457 124 R N 0.424 120.970 120.500 0.076 0.000 2.066 124 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 124 R C 2.537 178.890 176.300 0.088 0.000 1.131 124 R CA 1.257 57.422 56.100 0.108 0.000 0.955 124 R CB -0.377 29.907 30.300 -0.026 0.000 0.851 124 R HN 0.132 nan 8.270 nan 0.000 0.432 125 R N 1.103 121.596 120.500 -0.012 0.000 2.083 125 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 125 R C 1.934 178.041 176.300 -0.322 0.000 1.137 125 R CA 1.615 57.648 56.100 -0.111 0.000 0.951 125 R CB -0.946 29.327 30.300 -0.046 0.000 0.851 125 R HN 0.206 nan 8.270 nan 0.000 0.434 126 F N -0.251 119.323 119.950 -0.626 0.000 2.075 126 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 126 F C 1.880 177.530 175.800 -0.251 0.000 1.113 126 F CA 1.531 59.082 58.000 -0.750 0.000 1.218 126 F CB -0.852 37.910 39.000 -0.397 0.000 0.984 126 F HN 0.084 nan 8.300 nan 0.000 0.472 127 F N 0.705 120.453 119.950 -0.338 0.000 2.269 127 F HA -0.124 4.403 4.527 -0.000 0.000 0.301 127 F C 2.523 178.137 175.800 -0.311 0.000 1.082 127 F CA 1.547 59.277 58.000 -0.450 0.000 1.360 127 F CB -0.682 38.252 39.000 -0.109 0.000 1.041 127 F HN -0.042 nan 8.300 nan 0.000 0.512 128 S N -0.617 115.017 115.700 -0.110 0.000 2.436 128 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 128 S C 1.863 176.344 174.600 -0.199 0.000 1.014 128 S CA 0.775 58.915 58.200 -0.101 0.000 0.950 128 S CB -0.133 63.045 63.200 -0.035 0.000 0.784 128 S HN 0.369 nan 8.310 nan 0.000 0.504 129 E N 1.453 121.475 120.200 -0.297 0.000 2.086 129 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 129 E C 1.920 178.326 176.600 -0.323 0.000 0.975 129 E CA 0.739 56.986 56.400 -0.256 0.000 0.813 129 E CB -0.215 29.354 29.700 -0.219 0.000 0.768 129 E HN 0.728 nan 8.360 nan 0.000 0.457 130 I N -1.093 119.143 120.570 -0.556 0.000 3.684 130 I HA 0.066 4.236 4.170 -0.000 0.000 0.304 130 I C 2.225 178.013 176.117 -0.549 0.000 1.278 130 I CA 0.293 61.259 61.300 -0.556 0.000 1.272 130 I CB -0.044 37.487 38.000 -0.782 0.000 1.029 130 I HN -0.107 nan 8.210 nan 0.000 0.458 131 Q N 1.675 121.170 119.800 -0.508 0.000 2.152 131 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 131 Q C 2.102 177.971 176.000 -0.219 0.000 0.985 131 Q CA 2.591 58.163 55.803 -0.385 0.000 0.863 131 Q CB -0.027 28.611 28.738 -0.167 0.000 0.904 131 Q HN 0.596 nan 8.270 nan 0.000 0.422 132 V N 0.614 120.423 119.914 -0.175 0.000 2.453 132 V HA -0.279 3.841 4.120 -0.000 0.000 0.252 132 V C 2.020 178.047 176.094 -0.111 0.000 1.068 132 V CA 1.824 64.060 62.300 -0.107 0.000 1.070 132 V CB -0.524 31.245 31.823 -0.091 0.000 0.664 132 V HN 0.433 nan 8.190 nan 0.000 0.461 133 I N -0.544 119.924 120.570 -0.170 0.000 3.462 133 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 133 I C 1.107 177.112 176.117 -0.186 0.000 1.236 133 I CA 0.177 61.385 61.300 -0.155 0.000 1.418 133 I CB 0.139 38.045 38.000 -0.156 0.000 1.102 133 I HN 0.266 nan 8.210 nan 0.000 0.441 134 I N -0.333 120.066 120.570 -0.285 0.000 3.276 134 I HA 0.773 4.943 4.170 -0.000 0.000 0.306 134 I C 0.383 176.363 176.117 -0.228 0.000 1.060 134 I CA -0.517 60.584 61.300 -0.332 0.000 1.133 134 I CB 0.490 38.138 38.000 -0.587 0.000 1.473 134 I HN 0.017 nan 8.210 nan 0.000 0.649 135 G N 1.075 109.734 108.800 -0.234 0.000 2.376 135 G HA2 0.252 4.212 3.960 -0.000 0.000 0.302 135 G HA3 0.252 4.212 3.960 -0.000 0.000 0.302 135 G C -2.738 172.135 174.900 -0.045 0.000 1.586 135 G CA -0.497 44.569 45.100 -0.056 0.000 0.907 135 G HN 0.421 nan 8.290 nan 0.000 0.655 136 P HA -0.044 nan 4.420 nan 0.000 0.225 136 P C 0.309 177.533 177.300 -0.126 0.000 1.148 136 P CA 1.235 64.315 63.100 -0.033 0.000 0.779 136 P CB 0.073 31.701 31.700 -0.120 0.000 0.780 137 Y N -1.794 118.665 120.300 0.265 0.000 2.641 137 Y HA 0.277 4.827 4.550 -0.000 0.000 0.248 137 Y C 1.742 177.709 175.900 0.111 0.000 1.170 137 Y CA -0.446 57.804 58.100 0.251 0.000 1.201 137 Y CB 0.254 38.852 38.460 0.230 0.000 1.232 137 Y HN -0.095 nan 8.280 nan 0.000 0.537 138 N N -0.577 118.191 118.700 0.113 0.000 2.979 138 N HA 0.047 4.787 4.740 -0.000 0.000 0.247 138 N C -0.841 174.622 175.510 -0.078 0.000 1.012 138 N CA 0.642 53.707 53.050 0.025 0.000 1.061 138 N CB 0.745 39.239 38.487 0.011 0.000 1.677 138 N HN 0.011 nan 8.380 nan 0.000 0.558 139 D N 0.187 120.502 120.400 -0.142 0.000 2.763 139 D HA 0.390 5.030 4.640 -0.000 0.000 0.235 139 D C -1.350 174.793 176.300 -0.261 0.000 1.334 139 D CA -0.275 53.597 54.000 -0.214 0.000 0.950 139 D CB 1.300 41.975 40.800 -0.209 0.000 1.433 139 D HN 0.001 nan 8.370 nan 0.000 0.580 140 I N 5.206 125.574 120.570 -0.336 0.000 2.412 140 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 140 I C -2.091 173.865 176.117 -0.268 0.000 1.063 140 I CA -1.833 59.270 61.300 -0.328 0.000 1.193 140 I CB 1.297 38.981 38.000 -0.525 0.000 1.370 140 I HN 0.077 nan 8.210 nan 0.000 0.479 141 P HA 0.287 nan 4.420 nan 0.000 0.271 141 P C -0.501 176.745 177.300 -0.090 0.000 1.238 141 P CA -0.188 62.859 63.100 -0.088 0.000 0.794 141 P CB 0.782 32.501 31.700 0.030 0.000 0.959 142 A N 0.064 122.849 122.820 -0.059 0.000 2.599 142 A HA 0.701 5.021 4.320 -0.000 0.000 0.290 142 A C -2.910 174.667 177.584 -0.012 0.000 1.101 142 A CA -1.409 50.600 52.037 -0.046 0.000 0.674 142 A CB 0.708 19.657 19.000 -0.086 0.000 1.277 142 A HN 0.327 nan 8.150 nan 0.000 0.419 143 P HA 0.413 nan 4.420 nan 0.000 0.274 143 P C -0.940 176.349 177.300 -0.018 0.000 1.237 143 P CA 0.570 63.660 63.100 -0.017 0.000 0.793 143 P CB 1.394 33.075 31.700 -0.032 0.000 0.977 144 D N -0.052 120.337 120.400 -0.018 0.000 4.224 144 D HA 0.122 4.762 4.640 -0.000 0.000 0.305 144 D C -0.865 175.444 176.300 0.016 0.000 1.612 144 D CA -0.248 53.752 54.000 -0.001 0.000 0.977 144 D CB 0.435 41.236 40.800 0.002 0.000 1.419 144 D HN -0.015 nan 8.370 nan 0.000 0.661 145 V N 2.900 122.838 119.914 0.039 0.000 2.446 145 V HA 0.229 4.349 4.120 -0.000 0.000 0.276 145 V C 0.236 176.395 176.094 0.108 0.000 1.030 145 V CA 0.171 62.521 62.300 0.083 0.000 1.033 145 V CB 0.027 31.921 31.823 0.118 0.000 0.993 145 V HN 0.589 nan 8.190 nan 0.000 0.477 146 N N 2.052 120.816 118.700 0.107 0.000 2.882 146 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 146 N C 0.205 175.805 175.510 0.150 0.000 1.079 146 N CA 1.422 54.556 53.050 0.141 0.000 0.800 146 N CB -1.080 37.533 38.487 0.210 0.000 1.124 146 N HN 1.004 nan 8.380 nan 0.000 0.557 147 T N -1.793 112.790 114.554 0.048 0.000 2.912 147 T HA 0.749 5.099 4.350 -0.000 0.000 0.299 147 T C -0.153 174.526 174.700 -0.034 0.000 1.052 147 T CA -0.903 61.192 62.100 -0.008 0.000 0.996 147 T CB 2.919 71.711 68.868 -0.127 0.000 1.070 147 T HN 0.252 nan 8.240 nan 0.000 0.465 148 N N 0.538 119.190 118.700 -0.079 0.000 3.157 148 N HA 0.601 5.341 4.740 -0.000 0.000 0.291 148 N C 1.321 176.732 175.510 -0.165 0.000 1.515 148 N CA -0.575 52.414 53.050 -0.102 0.000 0.807 148 N CB 0.498 38.929 38.487 -0.094 0.000 1.672 148 N HN 0.697 nan 8.380 nan 0.000 0.592 149 A N -0.005 122.724 122.820 -0.152 0.000 1.927 149 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 149 A C 1.293 178.704 177.584 -0.289 0.000 1.185 149 A CA 2.440 54.372 52.037 -0.176 0.000 0.639 149 A CB -1.296 17.619 19.000 -0.140 0.000 0.820 149 A HN 0.773 nan 8.150 nan 0.000 0.451 150 D N -0.826 119.355 120.400 -0.365 0.000 2.097 150 D HA -0.092 4.548 4.640 -0.000 0.000 0.195 150 D C 1.964 177.674 176.300 -0.983 0.000 0.989 150 D CA 1.468 55.090 54.000 -0.630 0.000 0.827 150 D CB -0.229 40.217 40.800 -0.589 0.000 0.966 150 D HN 0.207 nan 8.370 nan 0.000 0.456 151 V N 0.896 120.386 119.914 -0.706 0.000 2.270 151 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 151 V C 2.319 178.075 176.094 -0.564 0.000 1.043 151 V CA 0.915 62.890 62.300 -0.542 0.000 1.014 151 V CB -0.325 31.378 31.823 -0.201 0.000 0.645 151 V HN 0.236 nan 8.190 nan 0.000 0.447 152 I N 0.785 121.117 120.570 -0.397 0.000 2.185 152 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 152 I C 2.709 178.695 176.117 -0.218 0.000 1.088 152 I CA 2.161 63.325 61.300 -0.227 0.000 1.347 152 I CB -1.627 36.306 38.000 -0.112 0.000 1.041 152 I HN 0.331 nan 8.210 nan 0.000 0.415 153 A N 0.114 122.769 122.820 -0.275 0.000 1.908 153 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 153 A C 2.133 179.664 177.584 -0.088 0.000 1.181 153 A CA 1.493 53.410 52.037 -0.200 0.000 0.627 153 A CB -0.924 17.907 19.000 -0.282 0.000 0.818 153 A HN 0.481 nan 8.150 nan 0.000 0.445 154 W N -0.815 120.364 121.300 -0.202 0.000 2.335 154 W HA -0.163 4.497 4.660 -0.000 0.000 0.311 154 W C 2.284 178.715 176.519 -0.148 0.000 1.213 154 W CA 0.870 58.106 57.345 -0.183 0.000 1.274 154 W CB -1.557 27.753 29.460 -0.249 0.000 1.148 154 W HN 0.581 nan 8.180 nan 0.000 0.498 155 Y N -0.546 119.724 120.300 -0.049 0.000 2.053 155 Y HA -0.380 4.170 4.550 -0.000 0.000 0.277 155 Y C 2.898 178.664 175.900 -0.224 0.000 1.159 155 Y CA 1.338 59.147 58.100 -0.486 0.000 1.125 155 Y CB -0.959 36.754 38.460 -1.246 0.000 0.969 155 Y HN -0.225 nan 8.280 nan 0.000 0.492 156 M N 0.824 120.438 119.600 0.024 0.000 2.089 156 M HA -0.309 4.171 4.480 -0.000 0.000 0.257 156 M C 1.653 178.047 176.300 0.157 0.000 1.071 156 M CA 2.454 57.817 55.300 0.105 0.000 1.096 156 M CB -0.818 31.818 32.600 0.061 0.000 1.330 156 M HN 0.328 nan 8.290 nan 0.000 0.403 157 D N -0.830 119.647 120.400 0.129 0.000 2.097 157 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 157 D C 1.568 177.951 176.300 0.139 0.000 0.989 157 D CA 2.500 56.575 54.000 0.125 0.000 0.827 157 D CB -0.001 40.879 40.800 0.134 0.000 0.966 157 D HN 0.408 nan 8.370 nan 0.000 0.456 158 T N -1.002 113.659 114.554 0.178 0.000 2.684 158 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 158 T C 1.658 176.495 174.700 0.228 0.000 1.036 158 T CA 1.486 63.701 62.100 0.190 0.000 1.148 158 T CB -0.883 68.134 68.868 0.248 0.000 0.863 158 T HN 0.336 nan 8.240 nan 0.000 0.436 159 Y N 1.779 122.182 120.300 0.171 0.000 2.097 159 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 159 Y C 2.838 178.751 175.900 0.022 0.000 1.152 159 Y CA 1.510 59.688 58.100 0.130 0.000 1.136 159 Y CB -0.250 38.338 38.460 0.214 0.000 0.975 159 Y HN 0.126 nan 8.280 nan 0.000 0.498 160 S N 0.266 115.982 115.700 0.026 0.000 2.374 160 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 160 S C 1.783 176.301 174.600 -0.138 0.000 1.037 160 S CA 1.701 59.832 58.200 -0.115 0.000 1.024 160 S CB -0.310 62.900 63.200 0.017 0.000 0.861 160 S HN 0.453 nan 8.310 nan 0.000 0.456 161 M N 1.093 120.666 119.600 -0.045 0.000 2.476 161 M HA 0.051 4.531 4.480 -0.000 0.000 0.262 161 M C 1.383 177.641 176.300 -0.070 0.000 1.079 161 M CA 0.894 56.171 55.300 -0.038 0.000 1.104 161 M CB -1.332 31.270 32.600 0.004 0.000 1.409 161 M HN 0.222 nan 8.290 nan 0.000 0.467 162 N N 0.320 118.961 118.700 -0.098 0.000 2.197 162 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 162 N C 1.685 177.069 175.510 -0.209 0.000 1.030 162 N CA 0.950 53.932 53.050 -0.112 0.000 0.851 162 N CB -0.050 38.402 38.487 -0.058 0.000 1.003 162 N HN 0.081 nan 8.380 nan 0.000 0.430 163 V N -0.724 118.947 119.914 -0.404 0.000 2.970 163 V HA 0.133 4.253 4.120 -0.000 0.000 0.260 163 V C 1.380 177.256 176.094 -0.363 0.000 1.100 163 V CA 1.183 63.188 62.300 -0.491 0.000 1.122 163 V CB -0.939 30.357 31.823 -0.878 0.000 0.721 163 V HN 0.517 nan 8.190 nan 0.000 0.483 164 G N 0.713 109.348 108.800 -0.275 0.000 2.131 164 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.223 164 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.223 164 G C 0.163 175.055 174.900 -0.014 0.000 0.990 164 G CA 0.145 45.179 45.100 -0.109 0.000 0.671 164 G HN 1.148 nan 8.290 nan 0.000 0.521 165 H N -2.840 116.200 119.070 -0.050 0.000 3.057 165 H HA 0.475 5.031 4.556 -0.000 0.000 0.308 165 H C -0.386 174.936 175.328 -0.010 0.000 1.276 165 H CA -0.159 55.876 56.048 -0.021 0.000 1.325 165 H CB 0.565 30.319 29.762 -0.014 0.000 1.963 165 H HN 0.618 nan 8.280 nan 0.000 0.524 166 T N 1.440 116.102 114.554 0.180 0.000 2.866 166 T HA 0.166 4.516 4.350 -0.000 0.000 0.293 166 T C 0.668 175.501 174.700 0.223 0.000 1.005 166 T CA 0.533 62.720 62.100 0.145 0.000 1.162 166 T CB 0.057 68.997 68.868 0.119 0.000 0.968 166 T HN 0.435 nan 8.240 nan 0.000 0.530 167 V N 5.502 125.519 119.914 0.172 0.000 2.840 167 V HA 0.117 4.237 4.120 -0.000 0.000 0.234 167 V C 1.780 177.983 176.094 0.182 0.000 1.159 167 V CA 0.677 63.106 62.300 0.215 0.000 1.194 167 V CB -0.732 31.255 31.823 0.273 0.000 0.971 167 V HN 1.120 nan 8.190 nan 0.000 0.494 168 L N 0.716 122.043 121.223 0.174 0.000 4.491 168 L HA -0.209 4.131 4.340 -0.000 0.000 0.433 168 L C 0.708 177.664 176.870 0.143 0.000 1.135 168 L CA 1.760 56.685 54.840 0.143 0.000 0.971 168 L CB -2.578 39.560 42.059 0.131 0.000 1.949 168 L HN 0.336 nan 8.230 nan 0.000 0.953 169 G N -1.654 107.244 108.800 0.164 0.000 3.528 169 G HA2 0.328 4.288 3.960 -0.000 0.000 0.266 169 G HA3 0.328 4.288 3.960 -0.000 0.000 0.266 169 G C 0.883 175.918 174.900 0.225 0.000 1.004 169 G CA 0.400 45.617 45.100 0.196 0.000 0.853 169 G HN 0.350 nan 8.290 nan 0.000 0.501 170 I N 1.536 122.200 120.570 0.158 0.000 2.761 170 I HA 0.200 4.370 4.170 -0.000 0.000 0.261 170 I C 0.566 176.689 176.117 0.010 0.000 1.198 170 I CA 0.360 61.686 61.300 0.043 0.000 1.482 170 I CB 0.399 38.393 38.000 -0.010 0.000 1.100 170 I HN 0.025 nan 8.210 nan 0.000 0.445 171 V N -2.541 117.395 119.914 0.035 0.000 3.087 171 V HA 0.721 4.841 4.120 -0.000 0.000 0.306 171 V C -0.217 175.884 176.094 0.012 0.000 1.187 171 V CA -0.090 62.204 62.300 -0.010 0.000 0.999 171 V CB 0.940 32.741 31.823 -0.036 0.000 1.049 171 V HN 0.207 nan 8.190 nan 0.000 0.431 172 T N -1.600 112.941 114.554 -0.020 0.000 2.922 172 T HA 0.774 5.124 4.350 -0.000 0.000 0.281 172 T C 0.996 175.687 174.700 -0.016 0.000 1.005 172 T CA -0.145 61.955 62.100 0.000 0.000 0.982 172 T CB 1.087 69.946 68.868 -0.015 0.000 1.158 172 T HN 2.738 nan 8.240 nan 0.000 0.566 173 G N 0.644 109.437 108.800 -0.012 0.000 2.198 173 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 173 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 173 G C -0.106 174.767 174.900 -0.045 0.000 1.042 173 G CA 0.233 45.315 45.100 -0.029 0.000 0.791 173 G HN 0.850 nan 8.290 nan 0.000 0.502 174 K N 0.245 120.623 120.400 -0.035 0.000 2.090 174 K HA 0.446 4.766 4.320 -0.000 0.000 0.250 174 K C -2.290 174.268 176.600 -0.070 0.000 1.004 174 K CA -1.875 54.378 56.287 -0.057 0.000 0.919 174 K CB 0.767 33.250 32.500 -0.029 0.000 1.045 174 K HN 0.007 nan 8.250 nan 0.000 0.471 175 P HA -0.065 nan 4.420 nan 0.000 0.268 175 P C 0.799 178.039 177.300 -0.099 0.000 1.204 175 P CA -0.098 62.944 63.100 -0.098 0.000 0.768 175 P CB 0.507 32.138 31.700 -0.114 0.000 0.842 176 V N 2.287 122.142 119.914 -0.098 0.000 2.250 176 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 176 V C 1.565 177.546 176.094 -0.188 0.000 1.065 176 V CA 2.192 64.416 62.300 -0.127 0.000 1.039 176 V CB -1.261 30.499 31.823 -0.105 0.000 0.647 176 V HN 0.592 nan 8.190 nan 0.000 0.446 177 E N -0.128 119.979 120.200 -0.155 0.000 2.705 177 E HA 0.160 4.510 4.350 -0.000 0.000 0.272 177 E C 0.133 176.642 176.600 -0.151 0.000 1.528 177 E CA 0.162 56.461 56.400 -0.168 0.000 1.750 177 E CB -0.227 29.402 29.700 -0.118 0.000 1.439 177 E HN 0.371 nan 8.360 nan 0.000 0.449 178 L N -0.626 120.495 121.223 -0.169 0.000 3.859 178 L HA 0.286 4.626 4.340 -0.000 0.000 0.385 178 L C 0.650 177.473 176.870 -0.077 0.000 1.296 178 L CA 0.880 55.655 54.840 -0.108 0.000 1.178 178 L CB 0.535 42.546 42.059 -0.080 0.000 1.409 178 L HN 0.259 nan 8.230 nan 0.000 0.600 179 G N -1.066 107.646 108.800 -0.148 0.000 2.168 179 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.197 179 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.197 179 G C 0.640 175.588 174.900 0.080 0.000 0.997 179 G CA 0.077 45.202 45.100 0.042 0.000 0.658 179 G HN 0.819 nan 8.290 nan 0.000 0.513 180 G N -0.445 108.326 108.800 -0.048 0.000 2.621 180 G HA2 0.559 4.519 3.960 -0.000 0.000 0.271 180 G HA3 0.559 4.519 3.960 -0.000 0.000 0.271 180 G C -0.096 174.810 174.900 0.011 0.000 1.236 180 G CA 0.598 45.687 45.100 -0.018 0.000 0.958 180 G HN 0.887 nan 8.290 nan 0.000 0.512 181 S N -0.667 115.039 115.700 0.010 0.000 2.532 181 S HA 0.390 4.860 4.470 -0.000 0.000 0.299 181 S C -0.065 174.540 174.600 0.009 0.000 1.105 181 S CA -0.729 57.483 58.200 0.019 0.000 1.018 181 S CB 0.969 64.179 63.200 0.018 0.000 1.021 181 S HN 0.523 nan 8.310 nan 0.000 0.483 182 K N 1.216 121.624 120.400 0.012 0.000 2.380 182 K HA 0.364 4.684 4.320 -0.000 0.000 0.267 182 K C 1.206 177.820 176.600 0.023 0.000 0.990 182 K CA 0.631 56.923 56.287 0.008 0.000 0.946 182 K CB 0.183 32.691 32.500 0.014 0.000 0.937 182 K HN 0.950 nan 8.250 nan 0.000 0.491 183 G N 1.321 110.115 108.800 -0.010 0.000 2.176 183 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.253 183 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.253 183 G C 0.913 175.773 174.900 -0.066 0.000 0.979 183 G CA 0.600 45.680 45.100 -0.033 0.000 0.641 183 G HN 0.729 nan 8.290 nan 0.000 0.530 184 R N 0.518 120.987 120.500 -0.052 0.000 2.081 184 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 184 R C 2.262 178.491 176.300 -0.119 0.000 1.131 184 R CA 2.060 58.126 56.100 -0.057 0.000 0.960 184 R CB -0.297 29.982 30.300 -0.035 0.000 0.856 184 R HN 0.636 nan 8.270 nan 0.000 0.436 185 E N 0.292 120.391 120.200 -0.168 0.000 2.015 185 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 185 E C 1.733 177.930 176.600 -0.671 0.000 0.991 185 E CA 1.654 57.907 56.400 -0.245 0.000 0.802 185 E CB -0.063 29.576 29.700 -0.102 0.000 0.759 185 E HN 0.610 nan 8.360 nan 0.000 0.447 186 E N 1.186 120.774 120.200 -1.020 0.000 2.515 186 E HA -0.045 4.305 4.350 -0.000 0.000 0.201 186 E C 1.694 178.008 176.600 -0.476 0.000 1.071 186 E CA 0.649 56.309 56.400 -1.235 0.000 0.880 186 E CB -0.056 29.148 29.700 -0.826 0.000 0.828 186 E HN 0.185 nan 8.360 nan 0.000 0.540 187 A N 1.870 124.516 122.820 -0.290 0.000 1.859 187 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 187 A C 2.454 179.986 177.584 -0.086 0.000 1.242 187 A CA 2.676 54.640 52.037 -0.121 0.000 0.661 187 A CB -1.595 17.360 19.000 -0.075 0.000 0.842 187 A HN 0.389 nan 8.150 nan 0.000 0.455 188 T N -0.222 114.289 114.554 -0.072 0.000 2.592 188 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 188 T C 1.961 176.661 174.700 0.000 0.000 1.060 188 T CA 2.202 64.289 62.100 -0.021 0.000 1.167 188 T CB -1.149 67.720 68.868 0.001 0.000 0.863 188 T HN 0.739 nan 8.240 nan 0.000 0.431 189 G N 1.013 109.817 108.800 0.007 0.000 2.476 189 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 189 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 189 G C 1.556 176.481 174.900 0.041 0.000 1.164 189 G CA 1.143 46.285 45.100 0.070 0.000 0.768 189 G HN 0.482 nan 8.290 nan 0.000 0.560 190 R N 0.308 120.805 120.500 -0.005 0.000 2.105 190 R HA -0.030 4.310 4.340 -0.000 0.000 0.239 190 R C 2.742 179.055 176.300 0.023 0.000 1.135 190 R CA 1.600 57.705 56.100 0.009 0.000 0.967 190 R CB -0.670 29.626 30.300 -0.007 0.000 0.861 190 R HN 0.331 nan 8.270 nan 0.000 0.442 191 G N -0.137 108.676 108.800 0.022 0.000 2.421 191 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 191 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 191 G C 1.377 176.300 174.900 0.040 0.000 1.171 191 G CA 0.897 46.017 45.100 0.034 0.000 0.775 191 G HN 0.224 nan 8.290 nan 0.000 0.543 192 V N 1.463 121.401 119.914 0.040 0.000 2.343 192 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 192 V C 2.769 178.886 176.094 0.038 0.000 1.051 192 V CA 2.200 64.528 62.300 0.047 0.000 1.036 192 V CB -0.388 31.465 31.823 0.051 0.000 0.654 192 V HN 0.432 nan 8.190 nan 0.000 0.451 193 K N 0.586 121.008 120.400 0.036 0.000 2.009 193 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 193 K C 2.108 178.708 176.600 0.000 0.000 1.049 193 K CA 2.189 58.491 56.287 0.026 0.000 0.929 193 K CB -0.543 31.977 32.500 0.034 0.000 0.714 193 K HN 0.351 nan 8.250 nan 0.000 0.440 194 V N 1.532 121.445 119.914 -0.002 0.000 2.282 194 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 194 V C 2.834 178.872 176.094 -0.093 0.000 1.057 194 V CA 2.043 64.322 62.300 -0.035 0.000 1.032 194 V CB -0.761 31.058 31.823 -0.007 0.000 0.645 194 V HN 0.467 nan 8.190 nan 0.000 0.447 195 C N 0.099 119.375 119.300 -0.040 0.000 2.413 195 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 195 C C 3.145 178.096 174.990 -0.065 0.000 1.228 195 C CA 0.911 59.909 59.018 -0.033 0.000 1.731 195 C CB -1.385 26.422 27.740 0.113 0.000 2.042 195 C HN 0.652 nan 8.230 nan 0.000 0.468 196 A N 0.456 123.270 122.820 -0.010 0.000 1.948 196 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 196 A C 2.337 179.896 177.584 -0.042 0.000 1.177 196 A CA 2.274 54.311 52.037 -0.001 0.000 0.636 196 A CB -1.177 17.835 19.000 0.020 0.000 0.815 196 A HN 0.609 nan 8.150 nan 0.000 0.449 197 G N -0.376 108.379 108.800 -0.075 0.000 2.404 197 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 197 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 197 G C 1.540 176.349 174.900 -0.152 0.000 1.174 197 G CA 0.939 45.985 45.100 -0.089 0.000 0.780 197 G HN 0.435 nan 8.290 nan 0.000 0.537 198 L N 0.778 121.820 121.223 -0.303 0.000 2.083 198 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 198 L C 3.381 180.061 176.870 -0.317 0.000 1.083 198 L CA 0.878 55.426 54.840 -0.487 0.000 0.752 198 L CB -0.331 41.019 42.059 -1.182 0.000 0.899 198 L HN 0.299 nan 8.230 nan 0.000 0.433 199 A N -0.221 122.488 122.820 -0.186 0.000 1.902 199 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 199 A C 2.315 179.914 177.584 0.025 0.000 1.181 199 A CA 1.738 53.803 52.037 0.047 0.000 0.623 199 A CB -0.453 18.603 19.000 0.092 0.000 0.818 199 A HN 0.343 nan 8.150 nan 0.000 0.443 200 M N -0.744 118.848 119.600 -0.014 0.000 2.175 200 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 200 M C 1.530 177.828 176.300 -0.004 0.000 1.063 200 M CA 1.439 56.738 55.300 -0.002 0.000 1.119 200 M CB -0.434 32.160 32.600 -0.010 0.000 1.377 200 M HN 0.361 nan 8.290 nan 0.000 0.415 201 D N 0.123 120.507 120.400 -0.028 0.000 2.084 201 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 201 D C 2.056 178.365 176.300 0.014 0.000 0.990 201 D CA 1.858 55.847 54.000 -0.018 0.000 0.826 201 D CB -0.319 40.451 40.800 -0.049 0.000 0.971 201 D HN 0.342 nan 8.370 nan 0.000 0.453 202 V N -0.272 119.666 119.914 0.040 0.000 2.490 202 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 202 V C 2.194 178.323 176.094 0.057 0.000 1.061 202 V CA 1.278 63.623 62.300 0.076 0.000 1.064 202 V CB -0.877 31.034 31.823 0.146 0.000 0.670 202 V HN 0.134 nan 8.190 nan 0.000 0.461 203 L N 0.851 122.103 121.223 0.048 0.000 2.591 203 L HA 0.431 4.771 4.340 -0.000 0.000 0.228 203 L C 2.032 178.918 176.870 0.027 0.000 1.133 203 L CA 0.682 55.545 54.840 0.038 0.000 0.880 203 L CB -0.714 41.369 42.059 0.039 0.000 1.033 203 L HN 0.614 nan 8.230 nan 0.000 0.450 204 G N 1.373 110.186 108.800 0.022 0.000 2.168 204 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 204 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 204 G C 0.263 175.171 174.900 0.013 0.000 0.977 204 G CA 0.009 45.118 45.100 0.016 0.000 0.659 204 G HN 0.347 nan 8.290 nan 0.000 0.533 205 I N 1.400 121.978 120.570 0.014 0.000 2.452 205 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 205 I C 0.617 176.739 176.117 0.008 0.000 1.079 205 I CA -0.363 60.944 61.300 0.013 0.000 1.387 205 I CB 0.812 38.822 38.000 0.017 0.000 1.404 205 I HN 0.222 nan 8.210 nan 0.000 0.522 206 D N 9.589 129.994 120.400 0.008 0.000 2.371 206 D HA 0.082 4.722 4.640 -0.000 0.000 0.256 206 D C -1.320 174.984 176.300 0.007 0.000 1.193 206 D CA -1.392 52.611 54.000 0.006 0.000 0.881 206 D CB 1.099 41.902 40.800 0.006 0.000 1.143 206 D HN 0.256 nan 8.370 nan 0.000 0.473 207 P HA -0.242 nan 4.420 nan 0.000 0.215 207 P C 1.195 178.501 177.300 0.011 0.000 1.153 207 P CA 1.156 64.261 63.100 0.008 0.000 0.853 207 P CB 0.100 31.802 31.700 0.003 0.000 0.788 208 K N 0.572 120.977 120.400 0.009 0.000 2.113 208 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 208 K C 2.207 178.813 176.600 0.010 0.000 1.047 208 K CA 1.540 57.832 56.287 0.009 0.000 0.928 208 K CB -0.125 32.379 32.500 0.007 0.000 0.716 208 K HN 0.023 nan 8.250 nan 0.000 0.446 209 K N 0.040 120.446 120.400 0.010 0.000 2.334 209 K HA 0.118 4.438 4.320 -0.000 0.000 0.195 209 K C 0.034 176.643 176.600 0.016 0.000 1.045 209 K CA 0.258 56.552 56.287 0.011 0.000 1.004 209 K CB 0.251 32.756 32.500 0.009 0.000 0.837 209 K HN 0.130 nan 8.250 nan 0.000 0.510 210 A N 1.866 124.697 122.820 0.018 0.000 2.561 210 A HA 0.079 4.399 4.320 -0.000 0.000 0.234 210 A C 0.224 177.827 177.584 0.032 0.000 1.055 210 A CA 0.550 52.602 52.037 0.024 0.000 0.756 210 A CB -0.026 18.988 19.000 0.023 0.000 0.986 210 A HN 0.476 nan 8.150 nan 0.000 0.505 211 T N -0.454 114.124 114.554 0.040 0.000 2.855 211 T HA 0.644 4.994 4.350 -0.000 0.000 0.281 211 T C -0.556 174.183 174.700 0.064 0.000 1.007 211 T CA -0.693 61.440 62.100 0.054 0.000 1.009 211 T CB 1.206 70.113 68.868 0.065 0.000 0.983 211 T HN 0.709 nan 8.240 nan 0.000 0.455 212 V N 1.782 121.743 119.914 0.079 0.000 2.789 212 V HA 0.841 4.961 4.120 -0.000 0.000 0.311 212 V C -0.116 176.042 176.094 0.107 0.000 1.073 212 V CA -1.025 61.325 62.300 0.082 0.000 0.921 212 V CB 1.817 33.685 31.823 0.076 0.000 1.009 212 V HN 1.343 nan 8.190 nan 0.000 0.426 213 A N 3.686 126.562 122.820 0.094 0.000 2.343 213 A HA 0.884 5.204 4.320 -0.000 0.000 0.316 213 A C -1.147 176.486 177.584 0.081 0.000 1.104 213 A CA -0.556 51.541 52.037 0.099 0.000 0.768 213 A CB 1.753 20.802 19.000 0.082 0.000 1.213 213 A HN 0.713 nan 8.150 nan 0.000 0.456 214 V N 3.283 123.249 119.914 0.086 0.000 2.409 214 V HA 0.285 4.405 4.120 -0.000 0.000 0.290 214 V C 0.017 176.158 176.094 0.078 0.000 1.017 214 V CA -0.459 61.895 62.300 0.090 0.000 0.841 214 V CB 1.473 33.374 31.823 0.131 0.000 1.003 214 V HN 0.954 nan 8.190 nan 0.000 0.426 215 Q N 3.541 123.377 119.800 0.060 0.000 2.344 215 Q HA 0.524 4.864 4.340 -0.000 0.000 0.253 215 Q C 0.284 176.325 176.000 0.069 0.000 1.050 215 Q CA 0.734 56.565 55.803 0.047 0.000 0.912 215 Q CB 0.837 29.591 28.738 0.027 0.000 1.258 215 Q HN 1.134 nan 8.270 nan 0.000 0.443 216 G N 3.036 111.889 108.800 0.089 0.000 2.640 216 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 216 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 216 G C -1.263 173.790 174.900 0.256 0.000 1.229 216 G CA -0.843 44.331 45.100 0.123 0.000 0.796 216 G HN 0.502 nan 8.290 nan 0.000 0.654 217 F N 2.426 122.359 119.950 -0.028 0.000 2.688 217 F HA 0.542 5.069 4.527 -0.000 0.000 0.376 217 F C 1.113 176.890 175.800 -0.038 0.000 1.428 217 F CA -0.001 57.971 58.000 -0.047 0.000 1.156 217 F CB 0.498 39.455 39.000 -0.071 0.000 1.141 217 F HN 0.852 nan 8.300 nan 0.000 0.521 218 G N 0.272 109.059 108.800 -0.021 0.000 2.543 218 G HA2 0.019 3.979 3.960 -0.000 0.000 0.267 218 G HA3 0.019 3.979 3.960 -0.000 0.000 0.267 218 G C 0.894 175.719 174.900 -0.125 0.000 1.406 218 G CA -0.102 44.967 45.100 -0.052 0.000 1.048 218 G HN 0.262 nan 8.290 nan 0.000 0.548 219 N N -1.427 117.248 118.700 -0.042 0.000 2.021 219 N HA -0.209 4.531 4.740 -0.000 0.000 0.198 219 N C 2.272 177.836 175.510 0.089 0.000 1.041 219 N CA 2.374 55.447 53.050 0.038 0.000 0.862 219 N CB -0.329 38.230 38.487 0.119 0.000 1.048 219 N HN 0.182 nan 8.380 nan 0.000 0.427 220 V N 0.164 120.117 119.914 0.065 0.000 2.219 220 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 220 V C 2.464 178.574 176.094 0.027 0.000 1.053 220 V CA 2.229 64.570 62.300 0.069 0.000 1.009 220 V CB -1.667 30.183 31.823 0.045 0.000 0.636 220 V HN 0.565 nan 8.190 nan 0.000 0.445 221 G N -1.089 107.698 108.800 -0.021 0.000 2.553 221 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 221 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 221 G C 1.483 176.261 174.900 -0.203 0.000 1.195 221 G CA 1.307 46.388 45.100 -0.032 0.000 0.779 221 G HN 0.586 nan 8.290 nan 0.000 0.577 222 Q N -0.447 119.001 119.800 -0.586 0.000 1.956 222 Q HA -0.131 4.209 4.340 -0.000 0.000 0.208 222 Q C 2.453 178.210 176.000 -0.405 0.000 0.998 222 Q CA 1.766 57.035 55.803 -0.890 0.000 0.855 222 Q CB -0.418 27.697 28.738 -1.039 0.000 0.928 222 Q HN 0.563 nan 8.270 nan 0.000 0.418 223 F N 0.418 120.249 119.950 -0.199 0.000 2.120 223 F HA -0.294 4.233 4.527 0.000 0.000 0.300 223 F C 2.495 178.263 175.800 -0.054 0.000 1.095 223 F CA 0.768 58.709 58.000 -0.099 0.000 1.249 223 F CB -0.340 38.617 39.000 -0.071 0.000 0.995 223 F HN 0.161 nan 8.300 nan 0.000 0.480 224 A N 0.072 122.976 122.820 0.141 0.000 1.883 224 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 224 A C 2.364 179.997 177.584 0.082 0.000 1.186 224 A CA 1.975 54.071 52.037 0.097 0.000 0.624 224 A CB -1.360 17.685 19.000 0.075 0.000 0.822 224 A HN 0.347 nan 8.150 nan 0.000 0.444 225 A N -0.577 122.285 122.820 0.070 0.000 1.858 225 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 225 A C 2.154 179.789 177.584 0.084 0.000 1.190 225 A CA 1.806 53.902 52.037 0.098 0.000 0.617 225 A CB -0.786 18.318 19.000 0.174 0.000 0.827 225 A HN 0.735 nan 8.150 nan 0.000 0.443 226 L N 0.029 121.284 121.223 0.053 0.000 1.971 226 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 226 L C 2.367 179.284 176.870 0.078 0.000 1.072 226 L CA 1.998 56.871 54.840 0.055 0.000 0.758 226 L CB -0.731 41.337 42.059 0.015 0.000 0.889 226 L HN 0.430 nan 8.230 nan 0.000 0.433 227 L N -1.164 120.119 121.223 0.100 0.000 2.046 227 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 227 L C 2.572 179.481 176.870 0.065 0.000 1.077 227 L CA 1.494 56.387 54.840 0.088 0.000 0.747 227 L CB -0.529 41.587 42.059 0.096 0.000 0.896 227 L HN 0.303 nan 8.230 nan 0.000 0.432 228 I N -0.871 119.738 120.570 0.065 0.000 2.163 228 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 228 I C 2.870 179.017 176.117 0.051 0.000 1.085 228 I CA 1.443 62.775 61.300 0.053 0.000 1.347 228 I CB -0.296 37.739 38.000 0.058 0.000 1.044 228 I HN 0.251 nan 8.210 nan 0.000 0.408 229 S N 0.307 116.044 115.700 0.061 0.000 2.354 229 S HA -0.252 4.218 4.470 -0.000 0.000 0.219 229 S C 2.016 176.644 174.600 0.047 0.000 1.035 229 S CA 1.682 59.916 58.200 0.057 0.000 1.037 229 S CB -0.199 63.042 63.200 0.069 0.000 0.956 229 S HN 0.437 nan 8.310 nan 0.000 0.428 230 Q N 0.188 120.018 119.800 0.049 0.000 2.046 230 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 230 Q C 2.205 178.226 176.000 0.035 0.000 0.975 230 Q CA 1.452 57.280 55.803 0.042 0.000 0.836 230 Q CB -0.273 28.493 28.738 0.047 0.000 0.896 230 Q HN 0.682 nan 8.270 nan 0.000 0.428 231 E N 0.254 120.476 120.200 0.036 0.000 2.230 231 E HA -0.000 4.350 4.350 -0.000 0.000 0.192 231 E C 1.805 178.418 176.600 0.020 0.000 0.987 231 E CA 0.499 56.915 56.400 0.027 0.000 0.841 231 E CB 0.299 30.016 29.700 0.029 0.000 0.783 231 E HN 0.297 nan 8.360 nan 0.000 0.481 232 L N -0.839 120.398 121.223 0.023 0.000 2.609 232 L HA 0.243 4.583 4.340 -0.000 0.000 0.230 232 L C 1.513 178.393 176.870 0.018 0.000 1.087 232 L CA 0.390 55.240 54.840 0.016 0.000 0.874 232 L CB 0.397 42.465 42.059 0.016 0.000 1.114 232 L HN 0.264 nan 8.230 nan 0.000 0.488 233 G N 0.167 108.981 108.800 0.023 0.000 2.184 233 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 233 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 233 G C 0.366 175.279 174.900 0.023 0.000 0.975 233 G CA 0.478 45.591 45.100 0.021 0.000 0.642 233 G HN 0.336 nan 8.290 nan 0.000 0.536 234 S N 0.975 116.692 115.700 0.028 0.000 2.572 234 S HA 0.406 4.876 4.470 -0.000 0.000 0.279 234 S C 0.523 175.146 174.600 0.039 0.000 1.341 234 S CA -0.045 58.174 58.200 0.031 0.000 1.043 234 S CB 0.900 64.122 63.200 0.035 0.000 0.887 234 S HN 0.478 nan 8.310 nan 0.000 0.516 235 K N 1.825 122.246 120.400 0.036 0.000 2.263 235 K HA 0.240 4.560 4.320 -0.000 0.000 0.282 235 K C -0.959 175.678 176.600 0.062 0.000 1.089 235 K CA -0.480 55.829 56.287 0.035 0.000 0.907 235 K CB 0.370 32.876 32.500 0.009 0.000 1.148 235 K HN 0.280 nan 8.250 nan 0.000 0.470 236 V N 4.153 124.121 119.914 0.091 0.000 2.359 236 V HA -0.067 4.053 4.120 -0.000 0.000 0.248 236 V C 1.626 177.834 176.094 0.191 0.000 1.091 236 V CA -0.147 62.237 62.300 0.140 0.000 1.103 236 V CB -0.167 31.753 31.823 0.161 0.000 1.176 236 V HN 0.700 nan 8.190 nan 0.000 0.488 237 V N 1.632 121.642 119.914 0.161 0.000 3.510 237 V HA 0.559 4.679 4.120 -0.000 0.000 0.270 237 V C 0.781 177.097 176.094 0.369 0.000 1.201 237 V CA 0.952 63.337 62.300 0.142 0.000 1.166 237 V CB -0.650 31.275 31.823 0.170 0.000 0.825 237 V HN 0.990 nan 8.190 nan 0.000 0.484 238 A N -0.233 122.823 122.820 0.393 0.000 2.583 238 A HA 0.717 5.037 4.320 -0.000 0.000 0.298 238 A C -0.900 176.737 177.584 0.088 0.000 1.055 238 A CA 0.052 52.301 52.037 0.353 0.000 0.714 238 A CB 1.380 20.603 19.000 0.371 0.000 1.277 238 A HN 1.586 nan 8.150 nan 0.000 0.406 239 V N -0.677 119.162 119.914 -0.127 0.000 3.114 239 V HA 1.017 5.137 4.120 -0.000 0.000 0.308 239 V C -0.357 175.584 176.094 -0.255 0.000 1.168 239 V CA -0.073 62.096 62.300 -0.218 0.000 1.015 239 V CB 1.701 33.228 31.823 -0.494 0.000 1.050 239 V HN 2.011 nan 8.190 nan 0.000 0.433 240 S N 0.857 116.461 115.700 -0.161 0.000 2.570 240 S HA 0.680 5.150 4.470 -0.000 0.000 0.286 240 S C -0.949 173.607 174.600 -0.072 0.000 1.099 240 S CA -0.685 57.445 58.200 -0.118 0.000 0.913 240 S CB 2.177 65.354 63.200 -0.038 0.000 1.085 240 S HN 1.017 nan 8.310 nan 0.000 0.480 241 D N 0.098 120.464 120.400 -0.057 0.000 2.494 241 D HA 0.366 5.006 4.640 -0.000 0.000 0.259 241 D C 0.523 176.839 176.300 0.026 0.000 1.109 241 D CA -0.491 53.511 54.000 0.004 0.000 1.040 241 D CB 2.005 42.802 40.800 -0.006 0.000 1.175 241 D HN 0.641 nan 8.370 nan 0.000 0.584 242 S N 0.035 115.761 115.700 0.043 0.000 2.906 242 S HA 0.104 4.574 4.470 -0.000 0.000 0.234 242 S C 0.987 175.608 174.600 0.034 0.000 0.973 242 S CA 0.049 58.273 58.200 0.041 0.000 1.036 242 S CB 0.445 63.674 63.200 0.047 0.000 0.798 242 S HN 0.402 nan 8.310 nan 0.000 0.498 243 R N 0.149 120.665 120.500 0.026 0.000 3.275 243 R HA 0.484 4.824 4.340 -0.000 0.000 0.154 243 R C 0.761 177.070 176.300 0.016 0.000 0.843 243 R CA 0.770 56.885 56.100 0.024 0.000 1.027 243 R CB 0.271 30.587 30.300 0.028 0.000 1.423 243 R HN 0.430 nan 8.270 nan 0.000 0.530 244 G N -1.005 107.797 108.800 0.004 0.000 2.634 244 G HA2 0.513 4.473 3.960 -0.000 0.000 0.309 244 G HA3 0.513 4.473 3.960 -0.000 0.000 0.309 244 G C -1.421 173.462 174.900 -0.029 0.000 1.299 244 G CA -0.406 44.692 45.100 -0.004 0.000 0.798 244 G HN 0.401 nan 8.290 nan 0.000 0.490 245 G N -1.022 107.761 108.800 -0.029 0.000 2.642 245 G HA2 0.733 4.693 3.960 -0.000 0.000 0.293 245 G HA3 0.733 4.693 3.960 -0.000 0.000 0.293 245 G C -0.897 173.985 174.900 -0.030 0.000 1.341 245 G CA -0.611 44.453 45.100 -0.059 0.000 0.916 245 G HN 1.202 nan 8.290 nan 0.000 0.474 246 I N -1.515 119.014 120.570 -0.068 0.000 2.569 246 I HA 0.747 4.917 4.170 -0.000 0.000 0.296 246 I C -1.312 175.005 176.117 0.334 0.000 1.028 246 I CA -1.278 60.064 61.300 0.070 0.000 1.082 246 I CB 2.370 40.331 38.000 -0.066 0.000 1.264 246 I HN 0.450 nan 8.210 nan 0.000 0.429 247 Y N 4.492 124.979 120.300 0.311 0.000 2.549 247 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 247 Y C -1.076 174.895 175.900 0.118 0.000 1.053 247 Y CA -1.232 57.034 58.100 0.276 0.000 1.105 247 Y CB 1.925 40.448 38.460 0.105 0.000 1.258 247 Y HN 0.787 nan 8.280 nan 0.000 0.478 248 N N 4.864 122.896 118.700 -1.112 0.000 3.392 248 N HA 0.173 4.913 4.740 -0.000 0.000 0.223 248 N C -2.757 172.137 175.510 -1.027 0.000 1.137 248 N CA -1.215 51.143 53.050 -1.152 0.000 0.991 248 N CB 1.870 39.560 38.487 -1.329 0.000 1.602 248 N HN 0.367 nan 8.380 nan 0.000 0.702 249 P HA -0.041 nan 4.420 nan 0.000 0.225 249 P C 0.518 177.658 177.300 -0.267 0.000 1.148 249 P CA 1.038 63.901 63.100 -0.395 0.000 0.779 249 P CB 0.654 32.237 31.700 -0.195 0.000 0.780 250 E N -0.348 119.654 120.200 -0.330 0.000 2.216 250 E HA 0.192 4.542 4.350 -0.000 0.000 0.192 250 E C 0.617 177.084 176.600 -0.221 0.000 0.988 250 E CA 0.457 56.717 56.400 -0.235 0.000 0.834 250 E CB -0.263 29.297 29.700 -0.233 0.000 0.772 250 E HN 0.221 nan 8.360 nan 0.000 0.479 251 G N 0.658 109.263 108.800 -0.326 0.000 3.409 251 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 251 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 251 G C -0.450 174.326 174.900 -0.206 0.000 1.017 251 G CA -0.817 44.158 45.100 -0.209 0.000 0.854 251 G HN 0.061 nan 8.290 nan 0.000 0.508 252 F N 0.908 120.831 119.950 -0.044 0.000 2.480 252 F HA 0.345 4.872 4.527 -0.000 0.000 0.319 252 F C 1.382 177.175 175.800 -0.012 0.000 1.230 252 F CA 0.455 58.436 58.000 -0.032 0.000 1.285 252 F CB 0.669 39.611 39.000 -0.097 0.000 1.208 252 F HN 0.445 nan 8.300 nan 0.000 0.579 253 D N 1.032 121.569 120.400 0.229 0.000 2.505 253 D HA 0.174 4.814 4.640 -0.000 0.000 0.242 253 D C 1.054 177.414 176.300 0.099 0.000 1.136 253 D CA -0.058 54.024 54.000 0.135 0.000 0.954 253 D CB 0.732 41.613 40.800 0.134 0.000 1.002 253 D HN 0.334 nan 8.370 nan 0.000 0.512 254 V N 3.127 123.104 119.914 0.104 0.000 2.311 254 V HA -0.333 3.787 4.120 -0.000 0.000 0.259 254 V C 2.261 178.401 176.094 0.077 0.000 1.086 254 V CA 1.792 64.155 62.300 0.104 0.000 1.078 254 V CB -0.659 31.228 31.823 0.107 0.000 0.668 254 V HN 0.541 nan 8.190 nan 0.000 0.452 255 E N -0.260 119.976 120.200 0.061 0.000 2.031 255 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 255 E C 2.400 179.038 176.600 0.063 0.000 0.994 255 E CA 1.509 57.938 56.400 0.048 0.000 0.800 255 E CB -0.190 29.540 29.700 0.051 0.000 0.752 255 E HN 0.713 nan 8.360 nan 0.000 0.447 256 E N 0.607 120.855 120.200 0.081 0.000 2.085 256 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 256 E C 2.257 178.892 176.600 0.058 0.000 0.994 256 E CA 0.634 57.107 56.400 0.120 0.000 0.801 256 E CB -0.041 29.771 29.700 0.188 0.000 0.743 256 E HN 0.190 nan 8.360 nan 0.000 0.453 257 L N 0.488 121.649 121.223 -0.104 0.000 2.042 257 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 257 L C 2.382 179.282 176.870 0.049 0.000 1.076 257 L CA 1.039 55.696 54.840 -0.304 0.000 0.749 257 L CB -0.207 41.630 42.059 -0.369 0.000 0.893 257 L HN 0.236 nan 8.230 nan 0.000 0.432 258 I N -0.942 119.724 120.570 0.160 0.000 2.142 258 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 258 I C 2.666 178.858 176.117 0.124 0.000 1.078 258 I CA 1.060 62.458 61.300 0.162 0.000 1.343 258 I CB -0.137 37.850 38.000 -0.022 0.000 1.046 258 I HN 0.124 nan 8.210 nan 0.000 0.405 259 R N -0.187 120.378 120.500 0.108 0.000 2.096 259 R HA -0.262 4.078 4.340 -0.000 0.000 0.240 259 R C 2.224 178.630 176.300 0.177 0.000 1.139 259 R CA 1.928 58.095 56.100 0.111 0.000 0.952 259 R CB -0.981 29.390 30.300 0.118 0.000 0.854 259 R HN 0.404 nan 8.270 nan 0.000 0.436 260 Y N 1.035 121.414 120.300 0.132 0.000 2.145 260 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 260 Y C 2.011 178.068 175.900 0.262 0.000 1.145 260 Y CA 1.677 59.934 58.100 0.262 0.000 1.148 260 Y CB 0.034 38.592 38.460 0.164 0.000 0.981 260 Y HN -0.076 nan 8.280 nan 0.000 0.507 261 K N 0.297 120.909 120.400 0.353 0.000 2.442 261 K HA -0.160 4.160 4.320 -0.000 0.000 0.198 261 K C 1.677 178.351 176.600 0.124 0.000 1.042 261 K CA 1.043 57.483 56.287 0.255 0.000 0.958 261 K CB 0.016 32.698 32.500 0.303 0.000 0.766 261 K HN 0.355 nan 8.250 nan 0.000 0.474 262 K N -0.074 120.371 120.400 0.074 0.000 2.202 262 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 262 K C 1.726 178.276 176.600 -0.084 0.000 1.051 262 K CA 0.623 56.908 56.287 -0.003 0.000 0.977 262 K CB 0.249 32.744 32.500 -0.008 0.000 0.792 262 K HN 0.076 nan 8.250 nan 0.000 0.469 263 E N -0.315 119.788 120.200 -0.162 0.000 2.230 263 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 263 E C -0.577 175.599 176.600 -0.707 0.000 0.987 263 E CA 0.589 56.722 56.400 -0.444 0.000 0.841 263 E CB 0.336 29.693 29.700 -0.572 0.000 0.783 263 E HN 0.297 nan 8.360 nan 0.000 0.481 264 H N -2.282 116.644 119.070 -0.240 0.000 2.589 264 H HA 0.311 4.867 4.556 -0.000 0.000 0.351 264 H C 0.790 176.072 175.328 -0.078 0.000 1.074 264 H CA -0.211 55.703 56.048 -0.223 0.000 1.203 264 H CB 1.826 31.300 29.762 -0.480 0.000 1.558 264 H HN 0.069 nan 8.280 nan 0.000 0.522 265 G N 2.268 111.107 108.800 0.064 0.000 2.606 265 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.221 265 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.221 265 G C 0.672 175.632 174.900 0.099 0.000 1.152 265 G CA 1.749 46.889 45.100 0.066 0.000 0.765 265 G HN 0.759 nan 8.290 nan 0.000 0.595 266 T N -3.664 110.970 114.554 0.134 0.000 2.926 266 T HA 0.473 4.823 4.350 -0.000 0.000 0.289 266 T C 1.085 175.907 174.700 0.203 0.000 1.054 266 T CA 0.028 62.206 62.100 0.129 0.000 1.015 266 T CB 1.936 70.854 68.868 0.084 0.000 1.167 266 T HN 0.476 nan 8.240 nan 0.000 0.526 267 V N -0.414 119.529 119.914 0.048 0.000 3.461 267 V HA 0.215 4.335 4.120 -0.000 0.000 0.267 267 V C 1.125 177.141 176.094 -0.130 0.000 1.186 267 V CA -0.169 62.067 62.300 -0.107 0.000 1.154 267 V CB -1.361 30.161 31.823 -0.502 0.000 0.802 267 V HN 0.712 nan 8.190 nan 0.000 0.474 268 V N 1.318 121.226 119.914 -0.009 0.000 3.237 268 V HA 0.268 4.388 4.120 -0.000 0.000 0.305 268 V C 1.680 177.813 176.094 0.065 0.000 1.096 268 V CA 1.000 63.301 62.300 0.001 0.000 1.130 268 V CB 0.177 32.015 31.823 0.025 0.000 1.048 268 V HN 0.710 nan 8.190 nan 0.000 0.484 269 T N -0.343 114.231 114.554 0.033 0.000 9.545 269 T HA -0.329 4.021 4.350 -0.000 0.000 0.344 269 T C 0.164 174.841 174.700 -0.038 0.000 1.908 269 T CA 1.529 63.656 62.100 0.045 0.000 3.011 269 T CB -1.931 67.013 68.868 0.127 0.000 2.298 269 T HN 1.027 nan 8.240 nan 0.000 0.992 270 Y N 6.394 126.454 120.300 -0.401 0.000 2.865 270 Y HA 0.299 4.849 4.550 -0.000 0.000 0.338 270 Y C -1.721 173.992 175.900 -0.311 0.000 1.269 270 Y CA -1.637 55.992 58.100 -0.786 0.000 1.585 270 Y CB 0.368 38.189 38.460 -1.066 0.000 1.224 270 Y HN 0.176 nan 8.280 nan 0.000 0.554 271 P HA -0.032 nan 4.420 nan 0.000 0.269 271 P C -0.624 176.350 177.300 -0.542 0.000 1.215 271 P CA 0.044 62.854 63.100 -0.484 0.000 0.780 271 P CB 0.718 32.190 31.700 -0.381 0.000 0.898 272 K N -0.634 119.623 120.400 -0.239 0.000 3.251 272 K HA -0.102 4.218 4.320 -0.000 0.000 0.282 272 K C -0.135 176.471 176.600 0.010 0.000 1.201 272 K CA 0.897 57.099 56.287 -0.141 0.000 0.827 272 K CB -1.729 30.673 32.500 -0.163 0.000 1.286 272 K HN 0.948 nan 8.250 nan 0.000 0.503 273 G N 0.813 109.660 108.800 0.080 0.000 2.741 273 G HA2 0.306 4.266 3.960 -0.000 0.000 0.293 273 G HA3 0.306 4.266 3.960 -0.000 0.000 0.293 273 G C -1.127 173.860 174.900 0.145 0.000 1.457 273 G CA -0.562 44.696 45.100 0.263 0.000 1.098 273 G HN 0.133 nan 8.290 nan 0.000 0.536 274 E N 1.785 122.075 120.200 0.149 0.000 2.070 274 E HA 0.101 4.451 4.350 -0.000 0.000 0.282 274 E C 0.351 177.043 176.600 0.153 0.000 1.104 274 E CA -0.233 56.249 56.400 0.136 0.000 0.876 274 E CB 0.695 30.503 29.700 0.180 0.000 1.055 274 E HN 0.326 nan 8.360 nan 0.000 0.401 275 R N 3.313 123.868 120.500 0.092 0.000 2.502 275 R HA 0.130 4.470 4.340 -0.000 0.000 0.292 275 R C 0.285 176.622 176.300 0.062 0.000 0.998 275 R CA 0.548 56.688 56.100 0.066 0.000 1.056 275 R CB 0.040 30.363 30.300 0.039 0.000 0.939 275 R HN 0.472 nan 8.270 nan 0.000 0.411 276 I N -2.134 118.467 120.570 0.052 0.000 2.994 276 I HA 0.408 4.578 4.170 -0.000 0.000 0.306 276 I C -0.083 176.043 176.117 0.015 0.000 1.195 276 I CA -1.059 60.260 61.300 0.031 0.000 1.001 276 I CB 2.208 40.225 38.000 0.029 0.000 1.244 276 I HN 0.321 nan 8.210 nan 0.000 0.437 277 T N 1.190 115.748 114.554 0.007 0.000 2.828 277 T HA 0.218 4.568 4.350 -0.000 0.000 0.290 277 T C 0.875 175.575 174.700 0.001 0.000 1.019 277 T CA 0.248 62.351 62.100 0.006 0.000 1.031 277 T CB 0.664 69.536 68.868 0.007 0.000 1.001 277 T HN 0.784 nan 8.240 nan 0.000 0.531 278 N N 1.383 120.086 118.700 0.004 0.000 2.104 278 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 278 N C 1.844 177.350 175.510 -0.006 0.000 1.024 278 N CA 1.219 54.270 53.050 0.001 0.000 0.853 278 N CB -0.066 38.427 38.487 0.010 0.000 1.008 278 N HN 0.603 nan 8.380 nan 0.000 0.424 279 E N 0.668 120.866 120.200 -0.003 0.000 2.153 279 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 279 E C 1.623 178.207 176.600 -0.027 0.000 0.988 279 E CA 0.752 57.144 56.400 -0.014 0.000 0.811 279 E CB -0.141 29.562 29.700 0.005 0.000 0.746 279 E HN 0.555 nan 8.360 nan 0.000 0.466 280 E N 0.842 121.027 120.200 -0.025 0.000 2.051 280 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 280 E C 2.299 178.864 176.600 -0.058 0.000 0.991 280 E CA 0.429 56.803 56.400 -0.043 0.000 0.799 280 E CB -0.128 29.547 29.700 -0.041 0.000 0.748 280 E HN 0.125 nan 8.360 nan 0.000 0.449 281 L N 0.936 122.136 121.223 -0.040 0.000 2.043 281 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 281 L C 2.266 179.117 176.870 -0.032 0.000 1.075 281 L CA 1.172 55.994 54.840 -0.031 0.000 0.752 281 L CB -0.129 41.928 42.059 -0.004 0.000 0.891 281 L HN 0.208 nan 8.230 nan 0.000 0.432 282 L N -0.851 120.352 121.223 -0.033 0.000 2.131 282 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 282 L C 2.032 178.875 176.870 -0.044 0.000 1.092 282 L CA 1.236 56.053 54.840 -0.039 0.000 0.759 282 L CB -0.389 41.635 42.059 -0.058 0.000 0.903 282 L HN 0.291 nan 8.230 nan 0.000 0.435 283 E N -0.345 119.824 120.200 -0.052 0.000 2.489 283 E HA 0.096 4.446 4.350 -0.000 0.000 0.193 283 E C 0.429 176.990 176.600 -0.066 0.000 1.057 283 E CA -0.288 56.080 56.400 -0.053 0.000 0.866 283 E CB 0.225 29.895 29.700 -0.051 0.000 0.916 283 E HN 0.329 nan 8.360 nan 0.000 0.500 284 L N 1.164 122.340 121.223 -0.077 0.000 2.506 284 L HA -0.059 4.281 4.340 -0.000 0.000 0.281 284 L C 0.450 177.282 176.870 -0.063 0.000 1.228 284 L CA 0.219 54.993 54.840 -0.109 0.000 0.850 284 L CB 0.310 42.308 42.059 -0.101 0.000 1.110 284 L HN 0.003 nan 8.230 nan 0.000 0.496 285 D N 2.566 122.926 120.400 -0.068 0.000 2.558 285 D HA 0.317 4.957 4.640 -0.000 0.000 0.221 285 D C -0.565 175.741 176.300 0.011 0.000 1.143 285 D CA -0.292 53.694 54.000 -0.024 0.000 1.010 285 D CB 0.252 41.039 40.800 -0.022 0.000 1.068 285 D HN 0.219 nan 8.370 nan 0.000 0.511 286 V N -0.318 119.607 119.914 0.019 0.000 3.046 286 V HA 0.474 4.594 4.120 -0.000 0.000 0.316 286 V C 0.830 176.944 176.094 0.033 0.000 1.104 286 V CA -0.709 61.617 62.300 0.042 0.000 1.006 286 V CB 2.091 33.951 31.823 0.061 0.000 1.058 286 V HN 0.067 nan 8.190 nan 0.000 0.440 287 D N 0.946 121.369 120.400 0.038 0.000 2.117 287 D HA 0.093 4.733 4.640 -0.000 0.000 0.198 287 D C 0.332 176.652 176.300 0.034 0.000 0.982 287 D CA 1.984 56.004 54.000 0.033 0.000 0.828 287 D CB 0.399 41.219 40.800 0.032 0.000 0.967 287 D HN 0.507 nan 8.370 nan 0.000 0.464 288 I N 0.833 121.427 120.570 0.040 0.000 2.466 288 I HA 0.157 4.327 4.170 -0.000 0.000 0.289 288 I C -1.087 175.056 176.117 0.044 0.000 1.026 288 I CA -0.790 60.535 61.300 0.042 0.000 1.078 288 I CB 2.783 40.810 38.000 0.044 0.000 1.249 288 I HN -0.204 nan 8.210 nan 0.000 0.429 289 L N 8.307 129.553 121.223 0.038 0.000 2.287 289 L HA 0.557 4.897 4.340 -0.000 0.000 0.287 289 L C -0.760 176.133 176.870 0.038 0.000 1.022 289 L CA -0.298 54.562 54.840 0.034 0.000 0.814 289 L CB 1.500 43.570 42.059 0.019 0.000 1.217 289 L HN 0.333 nan 8.230 nan 0.000 0.420 290 V N 7.587 127.528 119.914 0.045 0.000 2.220 290 V HA 0.323 4.443 4.120 -0.000 0.000 0.265 290 V C -2.069 174.052 176.094 0.044 0.000 1.078 290 V CA -1.173 61.156 62.300 0.048 0.000 0.872 290 V CB 0.698 32.557 31.823 0.060 0.000 1.121 290 V HN 0.689 nan 8.190 nan 0.000 0.460 291 P HA 0.175 nan 4.420 nan 0.000 0.264 291 P C 0.098 177.416 177.300 0.030 0.000 1.537 291 P CA 0.246 63.362 63.100 0.026 0.000 1.189 291 P CB 0.785 32.492 31.700 0.011 0.000 1.687 292 A N 2.683 125.529 122.820 0.043 0.000 3.213 292 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 292 A C 0.807 178.418 177.584 0.046 0.000 1.177 292 A CA -0.029 52.033 52.037 0.043 0.000 1.010 292 A CB -0.098 18.932 19.000 0.050 0.000 1.092 292 A HN 0.475 nan 8.150 nan 0.000 0.583 293 A N 0.118 122.961 122.820 0.039 0.000 2.364 293 A HA 0.793 5.113 4.320 -0.000 0.000 0.193 293 A C -0.149 177.456 177.584 0.035 0.000 1.530 293 A CA -0.089 51.973 52.037 0.041 0.000 1.613 293 A CB 0.140 19.165 19.000 0.043 0.000 1.767 293 A HN 0.405 nan 8.150 nan 0.000 0.657 294 L N 0.840 122.084 121.223 0.034 0.000 2.365 294 L HA 0.432 4.772 4.340 -0.000 0.000 0.267 294 L C -0.257 176.632 176.870 0.032 0.000 1.033 294 L CA -0.797 54.065 54.840 0.035 0.000 0.802 294 L CB 1.273 43.356 42.059 0.042 0.000 1.267 294 L HN 0.644 nan 8.230 nan 0.000 0.457 295 E N -0.070 120.150 120.200 0.033 0.000 2.392 295 E HA 0.249 4.598 4.350 -0.000 0.000 0.259 295 E C 0.809 177.440 176.600 0.052 0.000 1.108 295 E CA 0.241 56.661 56.400 0.033 0.000 0.916 295 E CB 0.336 30.054 29.700 0.031 0.000 0.989 295 E HN 0.813 nan 8.360 nan 0.000 0.432 296 G N 1.034 109.867 108.800 0.056 0.000 2.200 296 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.268 296 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.268 296 G C 1.086 176.059 174.900 0.122 0.000 0.986 296 G CA 0.788 45.948 45.100 0.101 0.000 0.677 296 G HN 0.688 nan 8.290 nan 0.000 0.532 297 A N -0.486 122.364 122.820 0.049 0.000 1.903 297 A HA 0.146 4.466 4.320 -0.000 0.000 0.219 297 A C 1.392 178.896 177.584 -0.134 0.000 1.191 297 A CA 1.541 53.576 52.037 -0.004 0.000 0.638 297 A CB -0.140 18.856 19.000 -0.007 0.000 0.823 297 A HN 0.925 nan 8.150 nan 0.000 0.451 298 I N 1.398 121.902 120.570 -0.110 0.000 2.306 298 I HA 0.299 4.469 4.170 -0.000 0.000 0.288 298 I C 0.216 176.264 176.117 -0.115 0.000 1.036 298 I CA -0.464 60.729 61.300 -0.178 0.000 1.221 298 I CB 0.433 38.384 38.000 -0.081 0.000 1.385 298 I HN 0.555 nan 8.210 nan 0.000 0.472 299 H N 3.995 123.069 119.070 0.006 0.000 2.949 299 H HA 0.561 5.117 4.556 -0.000 0.000 0.310 299 H C 0.869 176.199 175.328 0.004 0.000 1.405 299 H CA -0.753 55.298 56.048 0.005 0.000 1.253 299 H CB 1.030 30.796 29.762 0.006 0.000 1.932 299 H HN 0.424 nan 8.280 nan 0.000 0.602 300 A N 0.500 123.471 122.820 0.252 0.000 1.894 300 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 300 A C 2.379 180.063 177.584 0.167 0.000 1.237 300 A CA 3.184 55.309 52.037 0.146 0.000 0.660 300 A CB -1.920 17.128 19.000 0.081 0.000 0.835 300 A HN 0.885 nan 8.150 nan 0.000 0.461 301 G N -0.687 108.292 108.800 0.298 0.000 2.491 301 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 301 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 301 G C 1.383 176.351 174.900 0.114 0.000 1.180 301 G CA 1.461 46.688 45.100 0.212 0.000 0.774 301 G HN 0.704 nan 8.290 nan 0.000 0.562 302 N N 1.165 119.885 118.700 0.033 0.000 2.028 302 N HA 0.044 4.784 4.740 -0.000 0.000 0.194 302 N C 2.519 178.002 175.510 -0.044 0.000 1.050 302 N CA 1.500 54.496 53.050 -0.089 0.000 0.848 302 N CB -0.446 37.876 38.487 -0.275 0.000 1.038 302 N HN 0.348 nan 8.380 nan 0.000 0.423 303 A N 1.722 124.519 122.820 -0.038 0.000 1.886 303 A HA -0.362 3.958 4.320 -0.000 0.000 0.240 303 A C 1.905 179.486 177.584 -0.005 0.000 1.875 303 A CA 2.229 54.258 52.037 -0.014 0.000 0.760 303 A CB -1.027 17.980 19.000 0.011 0.000 0.849 303 A HN 0.359 nan 8.150 nan 0.000 0.505 304 E N -1.185 119.018 120.200 0.006 0.000 2.333 304 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 304 E C 2.018 178.617 176.600 -0.001 0.000 1.007 304 E CA 1.253 57.656 56.400 0.006 0.000 0.845 304 E CB -0.133 29.575 29.700 0.012 0.000 0.766 304 E HN 0.671 nan 8.360 nan 0.000 0.507 305 R N -0.206 120.290 120.500 -0.007 0.000 2.308 305 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 305 R C 0.765 177.054 176.300 -0.020 0.000 0.898 305 R CA -0.113 55.979 56.100 -0.013 0.000 1.046 305 R CB 0.549 30.841 30.300 -0.014 0.000 1.026 305 R HN 0.022 nan 8.270 nan 0.000 0.512 306 I N 2.253 122.809 120.570 -0.023 0.000 2.587 306 I HA -0.071 4.099 4.170 -0.000 0.000 0.284 306 I C 0.790 176.898 176.117 -0.014 0.000 1.134 306 I CA 0.733 62.019 61.300 -0.024 0.000 1.410 306 I CB 0.847 38.831 38.000 -0.026 0.000 1.392 306 I HN 0.111 nan 8.210 nan 0.000 0.545 307 K N 4.831 125.222 120.400 -0.015 0.000 2.367 307 K HA 0.210 4.530 4.320 -0.000 0.000 0.194 307 K C 0.766 177.366 176.600 -0.000 0.000 1.027 307 K CA -0.074 56.208 56.287 -0.008 0.000 1.075 307 K CB 0.356 32.849 32.500 -0.012 0.000 0.845 307 K HN 0.722 nan 8.250 nan 0.000 0.529 308 A N 2.085 124.905 122.820 0.000 0.000 2.546 308 A HA -0.024 4.296 4.320 -0.000 0.000 0.243 308 A C 0.758 178.351 177.584 0.014 0.000 1.063 308 A CA 0.188 52.231 52.037 0.010 0.000 0.757 308 A CB 0.270 19.276 19.000 0.011 0.000 0.991 308 A HN 0.210 nan 8.150 nan 0.000 0.503 309 K N 1.187 121.599 120.400 0.020 0.000 2.167 309 K HA 0.195 4.515 4.320 -0.000 0.000 0.203 309 K C 0.587 177.205 176.600 0.029 0.000 1.052 309 K CA 1.352 57.653 56.287 0.023 0.000 0.956 309 K CB 0.044 32.559 32.500 0.025 0.000 0.735 309 K HN 0.793 nan 8.250 nan 0.000 0.451 310 A N 0.608 123.448 122.820 0.033 0.000 2.486 310 A HA 0.541 4.861 4.320 -0.000 0.000 0.300 310 A C -1.297 176.311 177.584 0.040 0.000 1.048 310 A CA -0.717 51.346 52.037 0.043 0.000 0.696 310 A CB 1.790 20.825 19.000 0.057 0.000 1.278 310 A HN -0.094 nan 8.150 nan 0.000 0.405 311 V N 2.069 122.007 119.914 0.040 0.000 2.378 311 V HA 0.431 4.551 4.120 -0.000 0.000 0.288 311 V C -0.467 175.654 176.094 0.045 0.000 1.016 311 V CA -0.567 61.754 62.300 0.035 0.000 0.840 311 V CB 1.461 33.296 31.823 0.020 0.000 0.994 311 V HN 0.647 nan 8.190 nan 0.000 0.431 312 V N 4.221 124.164 119.914 0.049 0.000 2.304 312 V HA 0.273 4.393 4.120 -0.000 0.000 0.269 312 V C 0.540 176.658 176.094 0.040 0.000 1.036 312 V CA -0.544 61.790 62.300 0.057 0.000 0.840 312 V CB 0.949 32.811 31.823 0.066 0.000 1.036 312 V HN 0.910 nan 8.190 nan 0.000 0.466 313 E N 3.669 123.886 120.200 0.028 0.000 1.939 313 E HA 0.092 4.442 4.350 -0.000 0.000 0.259 313 E C 1.385 177.994 176.600 0.015 0.000 1.259 313 E CA 0.218 56.626 56.400 0.013 0.000 0.971 313 E CB 0.696 30.393 29.700 -0.005 0.000 1.055 313 E HN 0.872 nan 8.360 nan 0.000 0.420 314 G N 2.887 111.701 108.800 0.024 0.000 2.421 314 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 314 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 314 G C 0.719 175.629 174.900 0.017 0.000 1.143 314 G CA 0.623 45.739 45.100 0.027 0.000 0.784 314 G HN 0.529 nan 8.290 nan 0.000 0.541 315 A N -0.064 122.764 122.820 0.012 0.000 2.517 315 A HA 0.650 4.970 4.320 -0.000 0.000 0.280 315 A C -0.264 177.311 177.584 -0.014 0.000 1.353 315 A CA -0.627 51.413 52.037 0.006 0.000 0.907 315 A CB 0.395 19.403 19.000 0.014 0.000 1.495 315 A HN 0.130 nan 8.150 nan 0.000 0.506 316 N N -0.148 118.541 118.700 -0.019 0.000 2.437 316 N HA 0.445 5.185 4.740 -0.000 0.000 0.259 316 N C 0.381 175.863 175.510 -0.048 0.000 0.983 316 N CA 0.977 53.997 53.050 -0.049 0.000 0.937 316 N CB 1.002 39.462 38.487 -0.045 0.000 1.122 316 N HN 1.253 nan 8.380 nan 0.000 0.499 317 G N 3.684 112.441 108.800 -0.072 0.000 2.366 317 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.299 317 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.299 317 G C -1.593 173.299 174.900 -0.013 0.000 1.020 317 G CA -0.345 44.725 45.100 -0.050 0.000 1.026 317 G HN 0.476 nan 8.290 nan 0.000 0.512 318 P HA 0.003 nan 4.420 nan 0.000 0.217 318 P C 1.387 178.690 177.300 0.004 0.000 1.151 318 P CA 1.897 64.998 63.100 0.002 0.000 0.828 318 P CB 0.103 31.803 31.700 -0.000 0.000 0.788 319 T N -2.243 112.311 114.554 0.000 0.000 2.799 319 T HA 0.453 4.803 4.350 -0.000 0.000 0.286 319 T C 0.222 174.933 174.700 0.019 0.000 0.973 319 T CA -0.656 61.447 62.100 0.005 0.000 1.035 319 T CB 0.532 69.400 68.868 0.000 0.000 0.932 319 T HN -0.029 nan 8.240 nan 0.000 0.469 320 T N 1.906 116.483 114.554 0.038 0.000 2.882 320 T HA 0.339 4.689 4.350 -0.000 0.000 0.287 320 T C -1.482 173.237 174.700 0.032 0.000 1.014 320 T CA -1.737 60.389 62.100 0.044 0.000 1.049 320 T CB 0.553 69.463 68.868 0.071 0.000 1.001 320 T HN 0.355 nan 8.240 nan 0.000 0.525 321 P HA -0.163 nan 4.420 nan 0.000 0.216 321 P C 1.350 178.660 177.300 0.018 0.000 1.150 321 P CA 1.228 64.338 63.100 0.018 0.000 0.843 321 P CB 0.111 31.818 31.700 0.012 0.000 0.787 322 E N 0.528 120.743 120.200 0.024 0.000 2.085 322 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 322 E C 2.208 178.825 176.600 0.028 0.000 0.994 322 E CA 1.579 57.994 56.400 0.025 0.000 0.801 322 E CB -1.359 28.361 29.700 0.033 0.000 0.743 322 E HN 0.249 nan 8.360 nan 0.000 0.453 323 A N 2.050 124.891 122.820 0.035 0.000 1.933 323 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 323 A C 1.952 179.546 177.584 0.015 0.000 1.175 323 A CA 1.709 53.762 52.037 0.026 0.000 0.628 323 A CB -0.420 18.593 19.000 0.023 0.000 0.814 323 A HN 0.082 nan 8.150 nan 0.000 0.444 324 D N -0.176 120.233 120.400 0.015 0.000 2.108 324 D HA -0.172 4.468 4.640 -0.000 0.000 0.190 324 D C 1.955 178.261 176.300 0.010 0.000 0.995 324 D CA 1.657 55.664 54.000 0.012 0.000 0.834 324 D CB -0.403 40.405 40.800 0.013 0.000 0.967 324 D HN 0.614 nan 8.370 nan 0.000 0.446 325 E N 0.232 120.438 120.200 0.009 0.000 2.065 325 E HA -0.208 4.142 4.350 -0.000 0.000 0.201 325 E C 2.459 179.064 176.600 0.008 0.000 1.016 325 E CA 0.923 57.327 56.400 0.007 0.000 0.818 325 E CB -0.240 29.464 29.700 0.005 0.000 0.749 325 E HN 0.374 nan 8.360 nan 0.000 0.453 326 I N 0.891 121.467 120.570 0.010 0.000 2.226 326 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 326 I C 2.485 178.607 176.117 0.008 0.000 1.100 326 I CA 0.995 62.301 61.300 0.010 0.000 1.374 326 I CB -0.293 37.714 38.000 0.013 0.000 1.057 326 I HN 0.091 nan 8.210 nan 0.000 0.413 327 L N -0.047 121.180 121.223 0.008 0.000 2.017 327 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 327 L C 2.740 179.615 176.870 0.008 0.000 1.073 327 L CA 1.318 56.162 54.840 0.007 0.000 0.745 327 L CB -0.596 41.466 42.059 0.006 0.000 0.894 327 L HN 0.178 nan 8.230 nan 0.000 0.432 328 S N -0.589 115.116 115.700 0.008 0.000 2.353 328 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 328 S C 2.060 176.665 174.600 0.008 0.000 1.035 328 S CA 1.184 59.389 58.200 0.008 0.000 1.025 328 S CB -0.345 62.859 63.200 0.007 0.000 0.902 328 S HN 0.300 nan 8.310 nan 0.000 0.440 329 R N 0.993 121.497 120.500 0.007 0.000 2.096 329 R HA -0.059 4.281 4.340 -0.000 0.000 0.240 329 R C 2.346 178.650 176.300 0.007 0.000 1.139 329 R CA 1.436 57.540 56.100 0.007 0.000 0.952 329 R CB -0.184 30.119 30.300 0.006 0.000 0.854 329 R HN 0.346 nan 8.270 nan 0.000 0.436 330 R N -1.102 119.403 120.500 0.007 0.000 2.280 330 R HA -0.007 4.333 4.340 -0.000 0.000 0.207 330 R C 1.152 177.457 176.300 0.009 0.000 1.043 330 R CA 0.693 56.797 56.100 0.007 0.000 1.006 330 R CB 0.132 30.436 30.300 0.006 0.000 0.885 330 R HN 0.514 nan 8.270 nan 0.000 0.467 331 G N 1.360 110.166 108.800 0.010 0.000 2.137 331 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.237 331 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.237 331 G C 0.086 174.995 174.900 0.015 0.000 1.002 331 G CA -0.250 44.857 45.100 0.012 0.000 0.702 331 G HN 0.229 nan 8.290 nan 0.000 0.515 332 I N 0.573 121.151 120.570 0.014 0.000 2.395 332 I HA 0.377 4.546 4.170 -0.000 0.000 0.289 332 I C 0.722 176.850 176.117 0.019 0.000 1.023 332 I CA -1.039 60.271 61.300 0.016 0.000 1.350 332 I CB 1.250 39.257 38.000 0.012 0.000 1.409 332 I HN 0.110 nan 8.210 nan 0.000 0.507 333 L N 8.781 130.020 121.223 0.028 0.000 2.360 333 L HA 0.266 4.606 4.340 -0.000 0.000 0.276 333 L C -0.393 176.496 176.870 0.031 0.000 1.121 333 L CA 0.313 55.172 54.840 0.032 0.000 0.845 333 L CB 0.861 42.952 42.059 0.054 0.000 1.143 333 L HN 0.330 nan 8.230 nan 0.000 0.452 334 V N 6.587 126.512 119.914 0.019 0.000 2.305 334 V HA 0.255 4.375 4.120 -0.000 0.000 0.275 334 V C -0.206 175.891 176.094 0.004 0.000 1.020 334 V CA -0.803 61.506 62.300 0.015 0.000 0.811 334 V CB 1.395 33.223 31.823 0.008 0.000 1.031 334 V HN 0.529 nan 8.190 nan 0.000 0.439 335 V N 8.123 128.051 119.914 0.023 0.000 2.446 335 V HA 0.164 4.284 4.120 -0.000 0.000 0.276 335 V C -1.678 174.409 176.094 -0.012 0.000 1.030 335 V CA -1.358 60.948 62.300 0.010 0.000 1.033 335 V CB 0.644 32.526 31.823 0.098 0.000 0.993 335 V HN 0.658 nan 8.190 nan 0.000 0.477 336 P HA 0.031 nan 4.420 nan 0.000 0.264 336 P C 0.545 177.801 177.300 -0.072 0.000 1.193 336 P CA -0.003 63.054 63.100 -0.072 0.000 0.763 336 P CB 0.678 32.303 31.700 -0.126 0.000 0.810 337 D N 4.455 124.810 120.400 -0.075 0.000 2.123 337 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 337 D C 1.715 177.965 176.300 -0.083 0.000 0.992 337 D CA 1.274 55.232 54.000 -0.069 0.000 0.833 337 D CB -0.707 40.041 40.800 -0.086 0.000 0.954 337 D HN 0.490 nan 8.370 nan 0.000 0.455 338 I N -0.989 119.500 120.570 -0.135 0.000 2.236 338 I HA -0.248 3.922 4.170 -0.000 0.000 0.249 338 I C 2.593 178.665 176.117 -0.075 0.000 1.102 338 I CA 1.249 62.477 61.300 -0.120 0.000 1.365 338 I CB -0.502 37.374 38.000 -0.207 0.000 1.051 338 I HN 0.003 nan 8.210 nan 0.000 0.420 339 L N 1.381 122.557 121.223 -0.080 0.000 2.200 339 L HA 0.308 4.648 4.340 -0.000 0.000 0.200 339 L C 2.617 179.495 176.870 0.014 0.000 1.072 339 L CA 1.694 56.514 54.840 -0.033 0.000 0.787 339 L CB -0.768 41.257 42.059 -0.056 0.000 0.957 339 L HN 0.169 nan 8.230 nan 0.000 0.459 340 A N 1.165 123.994 122.820 0.015 0.000 1.851 340 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 340 A C 1.612 179.213 177.584 0.029 0.000 1.195 340 A CA 1.996 54.058 52.037 0.042 0.000 0.622 340 A CB -1.204 17.817 19.000 0.035 0.000 0.831 340 A HN 0.744 nan 8.150 nan 0.000 0.444 341 N N -0.336 118.369 118.700 0.008 0.000 2.327 341 N HA 0.429 5.169 4.740 -0.000 0.000 0.231 341 N C 0.584 176.093 175.510 -0.001 0.000 1.130 341 N CA 0.703 53.756 53.050 0.006 0.000 0.845 341 N CB -0.077 38.411 38.487 0.001 0.000 1.073 341 N HN 0.311 nan 8.380 nan 0.000 0.496 342 A N -0.216 122.604 122.820 0.001 0.000 2.167 342 A HA 0.257 4.577 4.320 -0.000 0.000 0.214 342 A C 2.129 179.708 177.584 -0.008 0.000 1.151 342 A CA 0.684 52.719 52.037 -0.004 0.000 0.735 342 A CB -0.994 18.005 19.000 -0.002 0.000 0.802 342 A HN 0.399 nan 8.150 nan 0.000 0.467 343 G N 0.341 109.140 108.800 -0.001 0.000 2.545 343 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.222 343 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.222 343 G C 1.499 176.383 174.900 -0.026 0.000 1.126 343 G CA 1.390 46.486 45.100 -0.007 0.000 0.754 343 G HN 0.656 nan 8.290 nan 0.000 0.583 344 G N 0.373 109.160 108.800 -0.022 0.000 2.480 344 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 344 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 344 G C 1.796 176.679 174.900 -0.029 0.000 1.200 344 G CA 1.375 46.459 45.100 -0.026 0.000 0.782 344 G HN 0.337 nan 8.290 nan 0.000 0.554 345 V N 1.171 121.072 119.914 -0.022 0.000 2.324 345 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 345 V C 3.193 179.287 176.094 -0.000 0.000 1.060 345 V CA 2.440 64.735 62.300 -0.008 0.000 1.042 345 V CB -1.062 30.762 31.823 0.002 0.000 0.650 345 V HN 0.432 nan 8.190 nan 0.000 0.450 346 T N -0.073 114.442 114.554 -0.065 0.000 2.684 346 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 346 T C 1.892 176.340 174.700 -0.419 0.000 1.036 346 T CA 1.789 63.769 62.100 -0.201 0.000 1.148 346 T CB -0.322 68.440 68.868 -0.177 0.000 0.863 346 T HN 0.321 nan 8.240 nan 0.000 0.436 347 V N 1.866 121.639 119.914 -0.234 0.000 2.626 347 V HA -0.127 3.993 4.120 -0.000 0.000 0.252 347 V C 2.772 178.855 176.094 -0.019 0.000 1.067 347 V CA 1.751 63.975 62.300 -0.126 0.000 1.081 347 V CB -0.741 31.094 31.823 0.019 0.000 0.686 347 V HN 0.654 nan 8.190 nan 0.000 0.468 348 S N -0.178 115.528 115.700 0.010 0.000 2.402 348 S HA -0.252 4.218 4.470 -0.000 0.000 0.229 348 S C 2.053 176.781 174.600 0.213 0.000 1.021 348 S CA 1.538 59.779 58.200 0.068 0.000 0.974 348 S CB -0.572 62.634 63.200 0.009 0.000 0.800 348 S HN 0.689 nan 8.310 nan 0.000 0.484 349 Y N 1.639 122.037 120.300 0.164 0.000 2.163 349 Y HA 0.020 4.570 4.550 -0.000 0.000 0.288 349 Y C 1.654 177.779 175.900 0.374 0.000 1.136 349 Y CA 1.327 59.682 58.100 0.426 0.000 1.147 349 Y CB -0.803 37.773 38.460 0.194 0.000 0.987 349 Y HN 0.248 nan 8.280 nan 0.000 0.509 350 F N 1.328 121.241 119.950 -0.061 0.000 2.161 350 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 350 F C 2.623 178.156 175.800 -0.445 0.000 1.089 350 F CA 1.529 59.315 58.000 -0.356 0.000 1.282 350 F CB -1.226 37.695 39.000 -0.132 0.000 1.010 350 F HN 0.281 nan 8.300 nan 0.000 0.485 351 E N -0.953 119.253 120.200 0.011 0.000 2.072 351 E HA -0.268 4.082 4.350 -0.000 0.000 0.191 351 E C 2.198 178.806 176.600 0.013 0.000 0.985 351 E CA 1.266 57.649 56.400 -0.027 0.000 0.801 351 E CB -0.467 29.267 29.700 0.056 0.000 0.750 351 E HN 0.464 nan 8.360 nan 0.000 0.452 352 W N 0.738 122.000 121.300 -0.063 0.000 2.425 352 W HA -0.146 4.514 4.660 -0.000 0.000 0.277 352 W C 1.726 178.185 176.519 -0.100 0.000 1.231 352 W CA 1.099 58.433 57.345 -0.018 0.000 1.248 352 W CB -0.191 29.375 29.460 0.177 0.000 1.117 352 W HN -0.094 nan 8.180 nan 0.000 0.568 353 V N 0.644 120.435 119.914 -0.204 0.000 2.255 353 V HA -0.327 3.793 4.120 -0.000 0.000 0.243 353 V C 2.297 178.126 176.094 -0.441 0.000 1.038 353 V CA 2.383 64.443 62.300 -0.399 0.000 1.008 353 V CB -1.206 30.406 31.823 -0.352 0.000 0.645 353 V HN 0.137 nan 8.190 nan 0.000 0.449 354 Q N -0.295 119.147 119.800 -0.595 0.000 2.152 354 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 354 Q C 2.050 177.631 176.000 -0.699 0.000 0.985 354 Q CA 1.910 57.255 55.803 -0.764 0.000 0.863 354 Q CB -0.228 27.913 28.738 -0.995 0.000 0.904 354 Q HN 0.624 nan 8.270 nan 0.000 0.422 355 D N -0.063 120.063 120.400 -0.456 0.000 2.117 355 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 355 D C 1.750 177.882 176.300 -0.280 0.000 0.982 355 D CA 0.743 54.575 54.000 -0.281 0.000 0.828 355 D CB 0.007 40.754 40.800 -0.088 0.000 0.967 355 D HN 0.118 nan 8.370 nan 0.000 0.464 356 L N 1.057 122.046 121.223 -0.390 0.000 2.012 356 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 356 L C 2.251 179.003 176.870 -0.196 0.000 1.073 356 L CA 1.689 56.328 54.840 -0.335 0.000 0.748 356 L CB -0.980 40.790 42.059 -0.482 0.000 0.891 356 L HN 0.229 nan 8.230 nan 0.000 0.431 357 Q N -2.655 117.023 119.800 -0.203 0.000 2.360 357 Q HA 0.112 4.452 4.340 -0.000 0.000 0.202 357 Q C 0.858 176.795 176.000 -0.105 0.000 0.915 357 Q CA 0.644 56.377 55.803 -0.116 0.000 0.943 357 Q CB 0.157 28.861 28.738 -0.057 0.000 1.064 357 Q HN 0.233 nan 8.270 nan 0.000 0.511 358 S N -0.310 115.265 115.700 -0.209 0.000 3.445 358 S HA -0.186 4.284 4.470 -0.000 0.000 0.319 358 S C -0.577 173.928 174.600 -0.159 0.000 1.209 358 S CA 0.670 58.766 58.200 -0.174 0.000 0.934 358 S CB -1.063 62.151 63.200 0.024 0.000 0.999 358 S HN 0.631 nan 8.310 nan 0.000 0.582 359 F N 1.239 120.862 119.950 -0.544 0.000 2.482 359 F HA 0.694 5.221 4.527 -0.000 0.000 0.331 359 F C -0.672 174.773 175.800 -0.591 0.000 1.115 359 F CA -1.609 56.205 58.000 -0.311 0.000 0.955 359 F CB 0.884 39.837 39.000 -0.078 0.000 1.136 359 F HN -0.012 nan 8.300 nan 0.000 0.452 360 F N 4.485 124.145 119.950 -0.484 0.000 2.458 360 F HA 0.419 4.946 4.527 0.000 0.000 0.336 360 F C -0.669 174.927 175.800 -0.340 0.000 1.114 360 F CA -1.059 56.689 58.000 -0.420 0.000 0.987 360 F CB 0.814 39.647 39.000 -0.278 0.000 1.130 360 F HN 0.288 nan 8.300 nan 0.000 0.458 361 W N 1.461 122.655 121.300 -0.177 0.000 2.183 361 W HA 0.337 4.997 4.660 0.000 0.000 0.348 361 W C -0.119 176.340 176.519 -0.100 0.000 1.257 361 W CA -1.365 55.874 57.345 -0.177 0.000 1.324 361 W CB 0.093 29.461 29.460 -0.153 0.000 1.144 361 W HN 0.519 nan 8.180 nan 0.000 0.622 362 D N -0.592 119.897 120.400 0.149 0.000 2.340 362 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 362 D C 1.098 177.450 176.300 0.085 0.000 1.080 362 D CA -0.712 53.333 54.000 0.074 0.000 0.971 362 D CB 0.898 41.716 40.800 0.030 0.000 1.137 362 D HN 0.073 nan 8.370 nan 0.000 0.475 363 L N 0.976 122.231 121.223 0.054 0.000 1.997 363 L HA -0.292 4.048 4.340 -0.000 0.000 0.227 363 L C 1.205 178.106 176.870 0.051 0.000 1.087 363 L CA 2.309 57.180 54.840 0.051 0.000 0.797 363 L CB -1.046 41.031 42.059 0.029 0.000 0.902 363 L HN 0.606 nan 8.230 nan 0.000 0.441 364 D N -1.341 119.076 120.400 0.029 0.000 2.133 364 D HA -0.272 4.368 4.640 -0.000 0.000 0.192 364 D C 2.138 178.441 176.300 0.004 0.000 1.001 364 D CA 1.770 55.779 54.000 0.014 0.000 0.844 364 D CB -0.152 40.648 40.800 -0.000 0.000 0.944 364 D HN 0.540 nan 8.370 nan 0.000 0.447 365 Q N 0.071 119.869 119.800 -0.003 0.000 1.985 365 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 365 Q C 2.441 178.432 176.000 -0.015 0.000 0.996 365 Q CA 1.458 57.223 55.803 -0.064 0.000 0.851 365 Q CB -0.293 28.398 28.738 -0.077 0.000 0.921 365 Q HN 0.210 nan 8.270 nan 0.000 0.418 366 V N 0.840 120.836 119.914 0.136 0.000 2.278 366 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 366 V C 2.269 178.466 176.094 0.171 0.000 1.062 366 V CA 2.246 64.669 62.300 0.205 0.000 1.038 366 V CB -0.656 31.315 31.823 0.247 0.000 0.646 366 V HN 0.311 nan 8.190 nan 0.000 0.447 367 R N 0.224 120.789 120.500 0.109 0.000 2.097 367 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 367 R C 2.225 178.573 176.300 0.080 0.000 1.135 367 R CA 2.608 58.759 56.100 0.086 0.000 0.934 367 R CB -0.572 29.757 30.300 0.047 0.000 0.846 367 R HN 0.680 nan 8.270 nan 0.000 0.431 368 N N -0.362 118.358 118.700 0.034 0.000 2.069 368 N HA -0.199 4.540 4.740 -0.000 0.000 0.191 368 N C 1.756 177.288 175.510 0.035 0.000 1.031 368 N CA 1.255 54.313 53.050 0.014 0.000 0.852 368 N CB -0.204 38.263 38.487 -0.033 0.000 1.018 368 N HN 0.279 nan 8.380 nan 0.000 0.423 369 A N 1.095 123.915 122.820 -0.001 0.000 1.883 369 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 369 A C 2.159 179.950 177.584 0.346 0.000 1.186 369 A CA 1.241 53.289 52.037 0.018 0.000 0.624 369 A CB -0.901 17.837 19.000 -0.437 0.000 0.822 369 A HN 0.282 nan 8.150 nan 0.000 0.444 370 L N 0.103 121.604 121.223 0.463 0.000 1.989 370 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 370 L C 2.283 179.283 176.870 0.218 0.000 1.071 370 L CA 2.535 57.626 54.840 0.418 0.000 0.749 370 L CB -0.758 41.490 42.059 0.315 0.000 0.890 370 L HN 0.522 nan 8.230 nan 0.000 0.431 371 E N -0.378 119.911 120.200 0.148 0.000 2.085 371 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 371 E C 2.141 178.793 176.600 0.086 0.000 0.994 371 E CA 1.422 57.875 56.400 0.089 0.000 0.801 371 E CB -0.200 29.534 29.700 0.056 0.000 0.743 371 E HN 0.519 nan 8.360 nan 0.000 0.453 372 K N 0.894 121.353 120.400 0.099 0.000 1.991 372 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 372 K C 2.200 178.864 176.600 0.106 0.000 1.049 372 K CA 1.532 57.870 56.287 0.085 0.000 0.932 372 K CB -0.091 32.454 32.500 0.074 0.000 0.717 372 K HN 0.041 nan 8.250 nan 0.000 0.441 373 M N 0.019 119.714 119.600 0.157 0.000 2.159 373 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 373 M C 2.289 178.658 176.300 0.114 0.000 1.063 373 M CA 1.112 56.500 55.300 0.146 0.000 1.110 373 M CB -0.107 32.612 32.600 0.199 0.000 1.374 373 M HN 0.227 nan 8.290 nan 0.000 0.411 374 M N 0.461 120.130 119.600 0.114 0.000 2.080 374 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 374 M C 1.950 178.320 176.300 0.117 0.000 1.068 374 M CA 1.933 57.294 55.300 0.103 0.000 1.109 374 M CB -0.875 31.776 32.600 0.085 0.000 1.342 374 M HN 0.142 nan 8.290 nan 0.000 0.405 375 K N -0.478 119.973 120.400 0.085 0.000 2.009 375 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 375 K C 2.126 178.804 176.600 0.129 0.000 1.049 375 K CA 1.537 57.868 56.287 0.073 0.000 0.929 375 K CB -0.241 32.279 32.500 0.034 0.000 0.714 375 K HN 0.265 nan 8.250 nan 0.000 0.440 376 K N 0.659 121.122 120.400 0.105 0.000 2.009 376 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 376 K C 2.149 178.815 176.600 0.110 0.000 1.049 376 K CA 1.447 57.793 56.287 0.098 0.000 0.929 376 K CB -0.197 32.349 32.500 0.076 0.000 0.714 376 K HN 0.151 nan 8.250 nan 0.000 0.440 377 A N 1.045 123.929 122.820 0.106 0.000 1.884 377 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 377 A C 2.043 179.689 177.584 0.103 0.000 1.197 377 A CA 1.852 53.940 52.037 0.084 0.000 0.637 377 A CB -1.027 18.018 19.000 0.075 0.000 0.827 377 A HN 0.521 nan 8.150 nan 0.000 0.450 378 F N 1.316 121.272 119.950 0.010 0.000 2.026 378 F HA -0.255 4.271 4.527 -0.000 0.000 0.296 378 F C 2.302 178.108 175.800 0.011 0.000 1.133 378 F CA 2.360 60.364 58.000 0.008 0.000 1.188 378 F CB -0.368 38.639 39.000 0.012 0.000 0.968 378 F HN 0.243 nan 8.300 nan 0.000 0.476 379 N N 0.615 119.519 118.700 0.340 0.000 2.137 379 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 379 N C 1.415 176.969 175.510 0.074 0.000 1.017 379 N CA 1.833 55.007 53.050 0.206 0.000 0.859 379 N CB -0.683 37.901 38.487 0.162 0.000 1.002 379 N HN 0.388 nan 8.380 nan 0.000 0.428 380 D N 0.389 120.821 120.400 0.053 0.000 2.117 380 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 380 D C 2.135 178.424 176.300 -0.018 0.000 0.987 380 D CA 0.500 54.512 54.000 0.020 0.000 0.829 380 D CB -0.289 40.525 40.800 0.023 0.000 0.961 380 D HN 0.049 nan 8.370 nan 0.000 0.460 381 V N 0.822 120.693 119.914 -0.071 0.000 2.358 381 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 381 V C 2.453 178.472 176.094 -0.125 0.000 1.047 381 V CA 1.086 63.311 62.300 -0.125 0.000 1.035 381 V CB -0.344 31.345 31.823 -0.223 0.000 0.658 381 V HN 0.195 nan 8.190 nan 0.000 0.452 382 M N -0.052 119.456 119.600 -0.154 0.000 2.108 382 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 382 M C 2.164 178.454 176.300 -0.017 0.000 1.066 382 M CA 1.861 57.104 55.300 -0.095 0.000 1.107 382 M CB -1.099 31.484 32.600 -0.028 0.000 1.356 382 M HN 0.317 nan 8.290 nan 0.000 0.406 383 K N -0.461 119.942 120.400 0.005 0.000 2.009 383 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 383 K C 1.916 178.544 176.600 0.047 0.000 1.049 383 K CA 1.592 57.896 56.287 0.027 0.000 0.929 383 K CB -0.431 32.086 32.500 0.029 0.000 0.714 383 K HN 0.146 nan 8.250 nan 0.000 0.440 384 V N 1.813 121.758 119.914 0.052 0.000 2.392 384 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 384 V C 2.306 178.487 176.094 0.145 0.000 1.059 384 V CA 1.690 64.062 62.300 0.119 0.000 1.051 384 V CB -0.485 31.364 31.823 0.044 0.000 0.658 384 V HN 0.338 nan 8.190 nan 0.000 0.455 385 K N 0.154 120.583 120.400 0.047 0.000 2.009 385 K HA -0.263 4.057 4.320 -0.000 0.000 0.210 385 K C 2.211 178.853 176.600 0.071 0.000 1.049 385 K CA 2.216 58.525 56.287 0.038 0.000 0.929 385 K CB -0.150 32.337 32.500 -0.021 0.000 0.714 385 K HN 0.559 nan 8.250 nan 0.000 0.440 386 E N 0.155 120.385 120.200 0.050 0.000 2.150 386 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 386 E C 1.912 178.532 176.600 0.034 0.000 0.985 386 E CA 1.053 57.476 56.400 0.037 0.000 0.814 386 E CB 0.091 29.805 29.700 0.024 0.000 0.752 386 E HN 0.210 nan 8.360 nan 0.000 0.466 387 K N -0.397 120.035 120.400 0.053 0.000 2.211 387 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 387 K C 0.841 177.354 176.600 -0.145 0.000 1.050 387 K CA 1.144 57.410 56.287 -0.035 0.000 0.945 387 K CB 0.154 32.647 32.500 -0.012 0.000 0.732 387 K HN 0.182 nan 8.250 nan 0.000 0.451 388 Y N -0.926 119.364 120.300 -0.017 0.000 2.426 388 Y HA 0.181 4.731 4.550 0.000 0.000 0.249 388 Y C 0.087 175.977 175.900 -0.017 0.000 1.103 388 Y CA -0.300 57.788 58.100 -0.018 0.000 1.256 388 Y CB 0.586 39.033 38.460 -0.021 0.000 1.208 388 Y HN 0.085 nan 8.280 nan 0.000 0.519 389 N N 0.650 119.421 118.700 0.118 0.000 2.738 389 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 389 N C -0.739 174.809 175.510 0.063 0.000 1.047 389 N CA 0.791 53.879 53.050 0.063 0.000 0.707 389 N CB -0.948 37.560 38.487 0.035 0.000 0.937 389 N HN 0.253 nan 8.380 nan 0.000 0.545 390 V N -3.370 116.585 119.914 0.069 0.000 3.184 390 V HA 0.691 4.811 4.120 -0.000 0.000 0.308 390 V C 0.442 176.544 176.094 0.014 0.000 1.243 390 V CA -0.742 61.580 62.300 0.038 0.000 1.058 390 V CB 1.388 33.228 31.823 0.029 0.000 1.183 390 V HN 0.180 nan 8.190 nan 0.000 0.471 391 D N -0.030 120.373 120.400 0.004 0.000 2.389 391 D HA 0.143 4.783 4.640 -0.000 0.000 0.247 391 D C 1.055 177.346 176.300 -0.014 0.000 1.128 391 D CA 0.418 54.417 54.000 -0.001 0.000 0.884 391 D CB 1.152 41.956 40.800 0.006 0.000 1.194 391 D HN 0.738 nan 8.370 nan 0.000 0.441 392 M N 3.792 123.373 119.600 -0.033 0.000 2.143 392 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 392 M C 2.023 178.282 176.300 -0.068 0.000 1.071 392 M CA 1.606 56.862 55.300 -0.074 0.000 1.088 392 M CB 0.007 32.542 32.600 -0.109 0.000 1.360 392 M HN 0.548 nan 8.290 nan 0.000 0.404 393 R N -0.609 119.878 120.500 -0.022 0.000 2.083 393 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 393 R C 1.742 178.118 176.300 0.126 0.000 1.137 393 R CA 2.393 58.507 56.100 0.024 0.000 0.951 393 R CB -0.577 29.779 30.300 0.094 0.000 0.851 393 R HN 0.450 nan 8.270 nan 0.000 0.434 394 T N 0.803 115.423 114.554 0.111 0.000 2.684 394 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 394 T C 1.980 176.688 174.700 0.013 0.000 1.036 394 T CA 1.358 63.516 62.100 0.098 0.000 1.148 394 T CB -0.496 68.370 68.868 -0.004 0.000 0.863 394 T HN 0.453 nan 8.240 nan 0.000 0.436 395 A N 2.056 124.847 122.820 -0.050 0.000 1.873 395 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 395 A C 2.772 180.295 177.584 -0.101 0.000 1.193 395 A CA 2.323 54.301 52.037 -0.099 0.000 0.629 395 A CB -1.449 17.502 19.000 -0.082 0.000 0.826 395 A HN 0.577 nan 8.150 nan 0.000 0.447 396 A N -1.806 120.942 122.820 -0.120 0.000 1.948 396 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 396 A C 2.102 179.578 177.584 -0.180 0.000 1.177 396 A CA 1.857 53.789 52.037 -0.173 0.000 0.636 396 A CB -0.810 18.034 19.000 -0.260 0.000 0.815 396 A HN 0.621 nan 8.150 nan 0.000 0.449 397 Y N -0.463 119.797 120.300 -0.067 0.000 2.200 397 Y HA -0.082 4.468 4.550 -0.000 0.000 0.290 397 Y C 2.235 178.039 175.900 -0.159 0.000 1.137 397 Y CA 1.250 59.291 58.100 -0.099 0.000 1.163 397 Y CB -0.365 38.029 38.460 -0.109 0.000 0.988 397 Y HN 0.226 nan 8.280 nan 0.000 0.518 398 I N -0.909 119.634 120.570 -0.045 0.000 2.142 398 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 398 I C 2.356 178.430 176.117 -0.071 0.000 1.078 398 I CA 1.073 62.283 61.300 -0.150 0.000 1.343 398 I CB -0.529 37.254 38.000 -0.362 0.000 1.046 398 I HN 0.194 nan 8.210 nan 0.000 0.405 399 L N 1.247 122.435 121.223 -0.058 0.000 2.051 399 L HA -0.251 4.089 4.340 -0.000 0.000 0.214 399 L C 2.423 179.327 176.870 0.056 0.000 1.076 399 L CA 2.269 57.107 54.840 -0.005 0.000 0.758 399 L CB -0.963 41.086 42.059 -0.017 0.000 0.890 399 L HN 0.237 nan 8.230 nan 0.000 0.433 400 A N -0.137 122.733 122.820 0.085 0.000 1.832 400 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 400 A C 2.245 180.013 177.584 0.307 0.000 1.200 400 A CA 1.991 54.165 52.037 0.230 0.000 0.610 400 A CB -1.002 18.210 19.000 0.352 0.000 0.842 400 A HN 0.471 nan 8.150 nan 0.000 0.444 401 I N 0.064 120.738 120.570 0.174 0.000 2.185 401 I HA -0.345 3.825 4.170 -0.000 0.000 0.246 401 I C 2.269 178.518 176.117 0.220 0.000 1.088 401 I CA 2.059 63.471 61.300 0.186 0.000 1.347 401 I CB -0.505 37.505 38.000 0.017 0.000 1.041 401 I HN 0.428 nan 8.210 nan 0.000 0.415 402 D N 0.627 121.106 120.400 0.132 0.000 2.087 402 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 402 D C 2.372 178.771 176.300 0.165 0.000 0.993 402 D CA 1.596 55.669 54.000 0.123 0.000 0.828 402 D CB -0.024 40.819 40.800 0.072 0.000 0.968 402 D HN 0.108 nan 8.370 nan 0.000 0.448 403 R N -0.409 120.184 120.500 0.156 0.000 2.103 403 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 403 R C 2.377 178.797 176.300 0.201 0.000 1.142 403 R CA 1.223 57.425 56.100 0.169 0.000 0.960 403 R CB -0.456 29.922 30.300 0.130 0.000 0.858 403 R HN 0.175 nan 8.270 nan 0.000 0.439 404 V N 0.583 120.630 119.914 0.222 0.000 2.626 404 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 404 V C 2.251 178.451 176.094 0.176 0.000 1.067 404 V CA 1.718 64.134 62.300 0.192 0.000 1.081 404 V CB -0.433 31.550 31.823 0.267 0.000 0.686 404 V HN 0.411 nan 8.190 nan 0.000 0.468 405 A N -0.631 122.315 122.820 0.211 0.000 1.854 405 A HA -0.207 4.113 4.320 -0.000 0.000 0.214 405 A C 2.153 179.842 177.584 0.175 0.000 1.192 405 A CA 1.599 53.746 52.037 0.183 0.000 0.611 405 A CB -0.819 18.294 19.000 0.187 0.000 0.832 405 A HN 0.528 nan 8.150 nan 0.000 0.442 406 Y N 1.086 121.428 120.300 0.070 0.000 2.151 406 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 406 Y C 2.630 178.555 175.900 0.042 0.000 1.166 406 Y CA 1.159 59.290 58.100 0.052 0.000 1.163 406 Y CB -0.707 37.783 38.460 0.050 0.000 0.974 406 Y HN 0.334 nan 8.280 nan 0.000 0.511 407 A N -0.372 122.463 122.820 0.025 0.000 1.841 407 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 407 A C 2.348 179.877 177.584 -0.092 0.000 1.199 407 A CA 3.180 55.178 52.037 -0.066 0.000 0.621 407 A CB -1.572 17.436 19.000 0.014 0.000 0.835 407 A HN 0.564 nan 8.150 nan 0.000 0.445 408 T N -0.842 113.695 114.554 -0.028 0.000 2.684 408 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 408 T C 1.869 176.545 174.700 -0.041 0.000 1.036 408 T CA 1.614 63.699 62.100 -0.026 0.000 1.148 408 T CB -0.356 68.516 68.868 0.008 0.000 0.863 408 T HN 0.479 nan 8.240 nan 0.000 0.436 409 K N 0.734 121.113 120.400 -0.035 0.000 2.009 409 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 409 K C 2.500 179.040 176.600 -0.101 0.000 1.049 409 K CA 1.114 57.379 56.287 -0.038 0.000 0.929 409 K CB -0.103 32.402 32.500 0.009 0.000 0.714 409 K HN 0.131 nan 8.250 nan 0.000 0.440 410 K N 0.664 120.929 120.400 -0.224 0.000 2.362 410 K HA -0.089 4.231 4.320 -0.000 0.000 0.200 410 K C 2.019 178.532 176.600 -0.146 0.000 1.046 410 K CA 0.967 57.103 56.287 -0.252 0.000 0.952 410 K CB -0.035 32.168 32.500 -0.495 0.000 0.753 410 K HN 0.091 nan 8.250 nan 0.000 0.466 411 R N -0.618 119.814 120.500 -0.112 0.000 2.090 411 R HA 0.044 4.384 4.340 -0.000 0.000 0.219 411 R C 0.658 176.930 176.300 -0.047 0.000 1.100 411 R CA 0.869 56.927 56.100 -0.070 0.000 0.991 411 R CB 0.225 30.490 30.300 -0.057 0.000 0.893 411 R HN 0.308 nan 8.270 nan 0.000 0.443 412 G N 0.000 108.776 108.800 -0.040 0.000 5.446 412 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 412 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 412 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925