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 1yew_1_A DATA FIRST_RESID 33 DATA SEQUENCE HGEKSQAAFM RMRTIHWYDL SWSKEKVKIN ETVEIKGKFH VFEGWPETVD DATA SEQUENCE EPDVAFLNVG MPGPVFIRKE SYIGGQLVPR SVRLEIGKTY DFRVVLKARR DATA SEQUENCE PGDWHVHTMM NVQGGGPIIG PGKWITVEGS MSEFRNPVTT LTGQTVDLEN DATA SEQUENCE YNEGNTYFWH AFWFAIGVAW IGYWSRRPIF IPRLLMVDAG RADELVSATD DATA SEQUENCE RKVAMGFLAA TILIVVMAMS SANSKYPITI PLQAGTMRGM KPLELPAPTV DATA SEQUENCE SVKVEDATYR VPGRAMRMKL TITNHGNSPI RLGEFYTASV RFLDSDVYKD DATA SEQUENCE TTGYPEDLLA EDGLSVSDNS PLAPGETRTV DVTASDAAWE VYRLSDIIYD DATA SEQUENCE PDSRFAGLLF FFDATGNRQV VQIDAPLIPS FM 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 33 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.277 175.328 -0.085 0.000 0.993 33 H CA 0.000 56.078 56.048 0.050 0.000 1.023 33 H CB 0.000 29.818 29.762 0.094 0.000 1.292 34 G N 1.982 110.789 108.800 0.011 0.000 2.541 34 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.201 34 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.201 34 G C 0.406 175.272 174.900 -0.056 0.000 1.026 34 G CA -0.008 45.071 45.100 -0.035 0.000 0.687 34 G HN 0.759 nan 8.290 nan 0.000 0.492 35 E N 1.293 121.454 120.200 -0.066 0.000 2.421 35 E HA 0.486 4.836 4.350 -0.000 0.000 0.253 35 E C 0.877 177.466 176.600 -0.019 0.000 1.277 35 E CA 0.902 57.290 56.400 -0.021 0.000 0.968 35 E CB 1.103 30.823 29.700 0.033 0.000 1.040 35 E HN 0.503 nan 8.360 nan 0.000 0.512 36 K N -1.372 119.028 120.400 0.000 0.000 5.156 36 K HA -0.220 4.100 4.320 -0.000 0.000 0.459 36 K C 1.607 178.170 176.600 -0.061 0.000 0.348 36 K CA 1.402 57.660 56.287 -0.048 0.000 1.969 36 K CB -2.040 30.367 32.500 -0.154 0.000 0.562 36 K HN 0.631 nan 8.250 nan 0.000 0.599 37 S N 2.018 117.680 115.700 -0.063 0.000 2.515 37 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 37 S C 0.590 175.164 174.600 -0.044 0.000 0.987 37 S CA 0.636 58.800 58.200 -0.059 0.000 0.936 37 S CB -0.340 62.828 63.200 -0.054 0.000 0.766 37 S HN 0.447 nan 8.310 nan 0.000 0.528 38 Q N 1.156 120.934 119.800 -0.037 0.000 2.257 38 Q HA 0.719 5.059 4.340 -0.000 0.000 0.255 38 Q C -0.266 175.715 176.000 -0.031 0.000 0.920 38 Q CA -0.710 55.071 55.803 -0.036 0.000 0.927 38 Q CB 1.263 29.972 28.738 -0.048 0.000 1.229 38 Q HN 0.220 nan 8.270 nan 0.000 0.433 39 A N 2.529 125.341 122.820 -0.014 0.000 2.468 39 A HA -0.027 4.293 4.320 -0.000 0.000 0.295 39 A C 1.357 178.944 177.584 0.005 0.000 0.906 39 A CA 0.791 52.850 52.037 0.038 0.000 1.156 39 A CB -0.399 18.618 19.000 0.029 0.000 0.738 39 A HN 1.094 nan 8.150 nan 0.000 0.393 40 A N 3.755 126.638 122.820 0.104 0.000 1.940 40 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 40 A C 1.666 179.313 177.584 0.106 0.000 1.176 40 A CA 2.059 54.141 52.037 0.074 0.000 0.631 40 A CB -0.675 18.360 19.000 0.058 0.000 0.814 40 A HN 1.917 nan 8.150 nan 0.000 0.446 41 F N -1.502 118.468 119.950 0.033 0.000 2.558 41 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 41 F C 1.832 177.645 175.800 0.022 0.000 1.119 41 F CA 0.677 58.708 58.000 0.052 0.000 1.451 41 F CB -0.503 38.540 39.000 0.071 0.000 1.091 41 F HN 0.024 nan 8.300 nan 0.000 0.563 42 M N 0.637 119.616 119.600 -1.036 0.000 2.156 42 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 42 M C 2.217 178.300 176.300 -0.363 0.000 1.067 42 M CA 1.355 56.182 55.300 -0.788 0.000 1.131 42 M CB -1.031 31.193 32.600 -0.626 0.000 1.368 42 M HN 0.233 nan 8.290 nan 0.000 0.416 43 R N -0.271 120.101 120.500 -0.213 0.000 2.189 43 R HA 0.015 4.355 4.340 -0.000 0.000 0.223 43 R C 2.042 178.345 176.300 0.004 0.000 1.092 43 R CA 1.037 57.099 56.100 -0.064 0.000 0.989 43 R CB -0.069 30.222 30.300 -0.014 0.000 0.876 43 R HN 0.358 nan 8.270 nan 0.000 0.457 44 M N -0.854 118.751 119.600 0.008 0.000 2.394 44 M HA -0.002 4.478 4.480 -0.000 0.000 0.266 44 M C 0.872 177.187 176.300 0.026 0.000 1.098 44 M CA 1.260 56.620 55.300 0.100 0.000 1.149 44 M CB 0.532 33.244 32.600 0.187 0.000 1.369 44 M HN -0.135 nan 8.290 nan 0.000 0.450 45 R N -0.986 119.467 120.500 -0.079 0.000 2.791 45 R HA 0.237 4.577 4.340 -0.000 0.000 0.357 45 R C 0.491 176.771 176.300 -0.033 0.000 1.173 45 R CA -0.056 55.991 56.100 -0.088 0.000 1.060 45 R CB 0.423 30.822 30.300 0.164 0.000 1.406 45 R HN 0.100 nan 8.270 nan 0.000 0.580 46 T N -0.356 114.068 114.554 -0.218 0.000 3.400 46 T HA 0.409 4.759 4.350 -0.000 0.000 0.228 46 T C -0.221 174.428 174.700 -0.085 0.000 0.992 46 T CA 0.277 62.167 62.100 -0.350 0.000 1.222 46 T CB 0.497 69.061 68.868 -0.506 0.000 1.236 46 T HN -0.020 nan 8.240 nan 0.000 0.357 47 I N 1.557 122.048 120.570 -0.130 0.000 2.498 47 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 47 I C -1.270 174.722 176.117 -0.209 0.000 1.032 47 I CA -0.781 60.426 61.300 -0.154 0.000 1.073 47 I CB 2.013 39.874 38.000 -0.232 0.000 1.251 47 I HN 0.450 nan 8.210 nan 0.000 0.426 48 H N 4.530 123.668 119.070 0.113 0.000 2.504 48 H HA 0.312 4.868 4.556 -0.000 0.000 0.322 48 H C -1.516 173.888 175.328 0.128 0.000 1.055 48 H CA -0.446 55.721 56.048 0.199 0.000 1.231 48 H CB 0.985 30.873 29.762 0.210 0.000 1.417 48 H HN 0.419 nan 8.280 nan 0.000 0.472 49 W N 4.740 126.264 121.300 0.373 0.000 2.478 49 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 49 W C -0.764 175.910 176.519 0.260 0.000 1.062 49 W CA -0.790 56.793 57.345 0.396 0.000 1.210 49 W CB 0.632 30.324 29.460 0.386 0.000 1.325 49 W HN 0.560 nan 8.180 nan 0.000 0.496 50 Y N -0.958 119.522 120.300 0.300 0.000 2.670 50 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 50 Y C -0.059 175.927 175.900 0.144 0.000 1.185 50 Y CA -1.787 56.397 58.100 0.140 0.000 1.053 50 Y CB 1.248 39.729 38.460 0.035 0.000 1.298 50 Y HN 0.389 nan 8.280 nan 0.000 0.459 51 D N 0.721 121.150 120.400 0.049 0.000 2.837 51 D HA -0.152 4.488 4.640 -0.000 0.000 0.230 51 D C -0.686 175.547 176.300 -0.113 0.000 1.152 51 D CA 0.734 54.691 54.000 -0.071 0.000 0.736 51 D CB -0.601 40.075 40.800 -0.206 0.000 1.084 51 D HN 0.551 nan 8.370 nan 0.000 0.429 52 L N 0.540 121.760 121.223 -0.004 0.000 2.455 52 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 52 L C 1.101 177.700 176.870 -0.452 0.000 1.174 52 L CA 0.982 55.695 54.840 -0.213 0.000 0.869 52 L CB 0.832 42.906 42.059 0.025 0.000 1.130 52 L HN 0.298 nan 8.230 nan 0.000 0.474 53 S N 4.270 119.478 115.700 -0.819 0.000 2.541 53 S HA 0.598 5.068 4.470 -0.000 0.000 0.271 53 S C -1.533 172.648 174.600 -0.698 0.000 1.133 53 S CA -0.916 56.948 58.200 -0.561 0.000 0.876 53 S CB 1.735 64.809 63.200 -0.210 0.000 1.105 53 S HN 0.524 nan 8.310 nan 0.000 0.470 54 W N 2.600 123.904 121.300 0.007 0.000 2.499 54 W HA 0.286 4.946 4.660 -0.000 0.000 0.320 54 W C 1.303 177.824 176.519 0.004 0.000 1.010 54 W CA -0.596 56.744 57.345 -0.008 0.000 1.267 54 W CB 2.085 31.528 29.460 -0.027 0.000 1.316 54 W HN 1.031 nan 8.180 nan 0.000 0.431 55 S N 2.115 117.907 115.700 0.153 0.000 2.402 55 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 55 S C 0.537 175.213 174.600 0.125 0.000 1.030 55 S CA 1.179 59.442 58.200 0.105 0.000 1.003 55 S CB 0.281 63.522 63.200 0.069 0.000 0.813 55 S HN 0.501 nan 8.310 nan 0.000 0.477 56 K N -0.932 119.560 120.400 0.153 0.000 2.555 56 K HA 0.439 4.759 4.320 -0.000 0.000 0.279 56 K C -0.018 176.663 176.600 0.135 0.000 0.986 56 K CA -0.343 56.024 56.287 0.133 0.000 0.880 56 K CB 1.870 34.438 32.500 0.114 0.000 1.474 56 K HN 0.062 nan 8.250 nan 0.000 0.433 57 E N 0.546 120.809 120.200 0.105 0.000 2.453 57 E HA 0.151 4.501 4.350 -0.000 0.000 0.211 57 E C -0.669 175.987 176.600 0.094 0.000 0.897 57 E CA 0.211 56.658 56.400 0.078 0.000 1.063 57 E CB 0.754 30.482 29.700 0.047 0.000 1.080 57 E HN 0.238 nan 8.360 nan 0.000 0.512 58 K N 0.760 121.218 120.400 0.097 0.000 2.397 58 K HA 0.527 4.847 4.320 -0.000 0.000 0.253 58 K C -1.803 174.869 176.600 0.120 0.000 0.932 58 K CA -0.717 55.629 56.287 0.098 0.000 0.795 58 K CB 2.380 34.915 32.500 0.059 0.000 1.159 58 K HN -0.099 nan 8.250 nan 0.000 0.424 59 V N 3.103 123.104 119.914 0.146 0.000 3.012 59 V HA 0.332 4.452 4.120 -0.000 0.000 0.307 59 V C -0.978 175.197 176.094 0.135 0.000 1.166 59 V CA -0.975 61.424 62.300 0.164 0.000 0.974 59 V CB 2.352 34.330 31.823 0.258 0.000 1.040 59 V HN 0.679 nan 8.190 nan 0.000 0.428 60 K N 2.868 123.338 120.400 0.116 0.000 2.098 60 K HA 0.544 4.864 4.320 -0.000 0.000 0.261 60 K C -0.113 176.551 176.600 0.105 0.000 0.987 60 K CA -0.611 55.731 56.287 0.092 0.000 0.916 60 K CB 0.897 33.442 32.500 0.076 0.000 1.039 60 K HN 0.475 nan 8.250 nan 0.000 0.455 61 I N 3.516 124.142 120.570 0.092 0.000 2.993 61 I HA -0.218 3.952 4.170 -0.000 0.000 0.301 61 I C 0.745 176.951 176.117 0.149 0.000 1.229 61 I CA 1.253 62.624 61.300 0.119 0.000 1.435 61 I CB -0.313 37.759 38.000 0.121 0.000 1.328 61 I HN 0.930 nan 8.210 nan 0.000 0.584 62 N N 1.338 120.173 118.700 0.226 0.000 2.929 62 N HA -0.208 4.532 4.740 -0.000 0.000 0.234 62 N C -0.026 175.566 175.510 0.138 0.000 0.908 62 N CA 1.274 54.427 53.050 0.171 0.000 0.993 62 N CB -0.549 37.974 38.487 0.060 0.000 1.075 62 N HN 0.689 nan 8.380 nan 0.000 0.603 63 E N 0.295 120.584 120.200 0.148 0.000 2.371 63 E HA 0.231 4.580 4.350 -0.000 0.000 0.257 63 E C -0.065 176.650 176.600 0.191 0.000 1.134 63 E CA 0.270 56.756 56.400 0.145 0.000 0.919 63 E CB 0.790 30.570 29.700 0.135 0.000 1.025 63 E HN -0.015 nan 8.360 nan 0.000 0.438 64 T N 0.633 115.284 114.554 0.162 0.000 2.929 64 T HA 0.421 4.771 4.350 -0.000 0.000 0.284 64 T C -1.241 173.555 174.700 0.160 0.000 1.014 64 T CA -0.563 61.637 62.100 0.166 0.000 1.051 64 T CB 1.247 70.188 68.868 0.120 0.000 1.028 64 T HN 0.184 nan 8.240 nan 0.000 0.485 65 V N 3.280 123.276 119.914 0.137 0.000 2.760 65 V HA 0.665 4.785 4.120 -0.000 0.000 0.309 65 V C -1.148 174.972 176.094 0.044 0.000 1.077 65 V CA -0.718 61.634 62.300 0.087 0.000 0.910 65 V CB 1.959 33.823 31.823 0.069 0.000 1.008 65 V HN 0.948 nan 8.190 nan 0.000 0.424 66 E N 5.857 126.087 120.200 0.050 0.000 2.176 66 E HA 0.557 4.907 4.350 -0.000 0.000 0.267 66 E C -1.333 175.255 176.600 -0.020 0.000 0.893 66 E CA -0.722 55.693 56.400 0.025 0.000 0.761 66 E CB 1.679 31.396 29.700 0.027 0.000 1.133 66 E HN 0.775 nan 8.360 nan 0.000 0.409 67 I N 4.592 125.137 120.570 -0.041 0.000 2.377 67 I HA 0.368 4.538 4.170 -0.000 0.000 0.293 67 I C 0.087 176.118 176.117 -0.143 0.000 0.987 67 I CA -0.642 60.567 61.300 -0.152 0.000 1.185 67 I CB 1.304 39.273 38.000 -0.052 0.000 1.341 67 I HN 0.329 nan 8.210 nan 0.000 0.455 68 K N 3.936 124.123 120.400 -0.355 0.000 2.444 68 K HA 0.902 5.222 4.320 -0.000 0.000 0.252 68 K C -0.399 175.729 176.600 -0.787 0.000 0.993 68 K CA -0.915 55.065 56.287 -0.512 0.000 0.847 68 K CB 2.949 35.236 32.500 -0.354 0.000 1.340 68 K HN 0.849 nan 8.250 nan 0.000 0.446 69 G N 0.764 108.863 108.800 -1.168 0.000 2.324 69 G HA2 0.159 4.119 3.960 -0.000 0.000 0.293 69 G HA3 0.159 4.119 3.960 -0.000 0.000 0.293 69 G C -1.839 172.632 174.900 -0.714 0.000 1.297 69 G CA -0.873 43.754 45.100 -0.788 0.000 0.853 69 G HN 0.349 nan 8.290 nan 0.000 0.535 70 K N -0.713 119.547 120.400 -0.234 0.000 2.281 70 K HA 0.788 5.108 4.320 -0.000 0.000 0.242 70 K C -1.214 175.589 176.600 0.337 0.000 0.971 70 K CA -0.736 55.500 56.287 -0.085 0.000 0.834 70 K CB 2.227 34.408 32.500 -0.531 0.000 1.181 70 K HN 0.662 nan 8.250 nan 0.000 0.435 71 F N -1.346 118.724 119.950 0.201 0.000 2.591 71 F HA 0.374 4.901 4.527 -0.000 0.000 0.309 71 F C -0.907 175.004 175.800 0.185 0.000 1.098 71 F CA -0.968 57.085 58.000 0.087 0.000 0.937 71 F CB 1.317 40.069 39.000 -0.414 0.000 1.250 71 F HN 0.445 nan 8.300 nan 0.000 0.447 72 H N 3.660 122.804 119.070 0.123 0.000 2.459 72 H HA 0.602 5.158 4.556 -0.000 0.000 0.332 72 H C -1.183 174.238 175.328 0.154 0.000 1.094 72 H CA -0.778 55.324 56.048 0.091 0.000 1.224 72 H CB 2.137 32.036 29.762 0.229 0.000 1.449 72 H HN 0.899 nan 8.280 nan 0.000 0.484 73 V N 5.239 124.977 119.914 -0.292 0.000 2.385 73 V HA 0.233 4.353 4.120 -0.000 0.000 0.269 73 V C -0.156 175.806 176.094 -0.220 0.000 1.043 73 V CA -0.706 61.546 62.300 -0.081 0.000 0.906 73 V CB -0.088 31.742 31.823 0.012 0.000 0.995 73 V HN 0.633 nan 8.190 nan 0.000 0.467 74 F N 6.075 125.982 119.950 -0.071 0.000 2.578 74 F HA 0.209 4.736 4.527 -0.000 0.000 0.376 74 F C 1.705 177.572 175.800 0.111 0.000 1.085 74 F CA -0.160 57.867 58.000 0.045 0.000 1.260 74 F CB 1.023 40.077 39.000 0.089 0.000 1.095 74 F HN 0.828 nan 8.300 nan 0.000 0.573 75 E N 3.411 123.406 120.200 -0.343 0.000 2.338 75 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 75 E C 1.429 177.642 176.600 -0.646 0.000 1.007 75 E CA 0.876 57.047 56.400 -0.381 0.000 0.849 75 E CB -0.397 29.204 29.700 -0.165 0.000 0.774 75 E HN 0.787 nan 8.360 nan 0.000 0.506 76 G N 1.397 109.226 108.800 -1.619 0.000 3.702 76 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.288 76 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.288 76 G C -0.204 174.543 174.900 -0.256 0.000 1.193 76 G CA -0.754 43.802 45.100 -0.907 0.000 0.952 76 G HN 0.187 nan 8.290 nan 0.000 0.544 77 W N 2.399 123.533 121.300 -0.277 0.000 2.601 77 W HA -0.041 4.619 4.660 0.000 0.000 0.333 77 W C -1.611 174.938 176.519 0.049 0.000 1.080 77 W CA -0.566 56.769 57.345 -0.017 0.000 1.212 77 W CB 0.653 30.084 29.460 -0.049 0.000 1.127 77 W HN 0.184 nan 8.180 nan 0.000 0.558 78 P HA -0.084 nan 4.420 nan 0.000 0.274 78 P C 0.463 177.794 177.300 0.052 0.000 1.264 78 P CA 0.355 63.444 63.100 -0.018 0.000 0.795 78 P CB 0.653 32.258 31.700 -0.157 0.000 1.064 79 E N -0.206 120.060 120.200 0.110 0.000 2.011 79 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 79 E C 0.710 177.395 176.600 0.141 0.000 0.979 79 E CA 2.114 58.595 56.400 0.134 0.000 0.822 79 E CB -0.406 29.365 29.700 0.120 0.000 0.782 79 E HN 0.701 nan 8.360 nan 0.000 0.459 80 T N -2.006 112.617 114.554 0.115 0.000 8.089 80 T HA -0.184 4.166 4.350 -0.000 0.000 0.315 80 T C -0.393 174.343 174.700 0.061 0.000 2.025 80 T CA 1.029 63.183 62.100 0.090 0.000 3.021 80 T CB -1.848 67.078 68.868 0.095 0.000 2.356 80 T HN 0.053 nan 8.240 nan 0.000 1.220 81 V N 1.779 121.754 119.914 0.102 0.000 2.567 81 V HA 0.439 4.559 4.120 -0.000 0.000 0.298 81 V C -0.275 176.068 176.094 0.415 0.000 1.047 81 V CA -1.029 61.368 62.300 0.162 0.000 0.880 81 V CB 1.719 33.522 31.823 -0.034 0.000 1.009 81 V HN 0.424 nan 8.190 nan 0.000 0.429 82 D N 3.475 124.043 120.400 0.281 0.000 2.601 82 D HA 0.036 4.676 4.640 -0.000 0.000 0.229 82 D C 0.645 177.100 176.300 0.258 0.000 1.140 82 D CA 0.691 54.821 54.000 0.216 0.000 0.862 82 D CB 0.683 41.557 40.800 0.124 0.000 1.192 82 D HN 0.608 nan 8.370 nan 0.000 0.480 83 E N 3.007 123.217 120.200 0.017 0.000 2.436 83 E HA 0.043 4.393 4.350 -0.000 0.000 0.262 83 E C -1.774 174.656 176.600 -0.283 0.000 1.063 83 E CA -1.094 55.081 56.400 -0.376 0.000 0.944 83 E CB 0.132 29.643 29.700 -0.315 0.000 0.950 83 E HN 0.296 nan 8.360 nan 0.000 0.444 84 P HA 0.045 nan 4.420 nan 0.000 0.228 84 P C -0.641 176.569 177.300 -0.151 0.000 1.748 84 P CA 0.090 63.051 63.100 -0.231 0.000 0.909 84 P CB 0.047 31.572 31.700 -0.292 0.000 1.882 85 D N 0.083 120.415 120.400 -0.113 0.000 2.190 85 D HA -0.111 4.528 4.640 -0.000 0.000 0.200 85 D C 0.778 177.054 176.300 -0.040 0.000 0.992 85 D CA 1.333 55.291 54.000 -0.070 0.000 0.854 85 D CB 0.157 40.926 40.800 -0.051 0.000 0.936 85 D HN 0.176 nan 8.370 nan 0.000 0.462 86 V N -0.963 118.939 119.914 -0.021 0.000 2.568 86 V HA 0.702 4.822 4.120 -0.000 0.000 0.276 86 V C -1.297 174.815 176.094 0.029 0.000 1.002 86 V CA -0.431 61.871 62.300 0.004 0.000 0.879 86 V CB 0.891 32.718 31.823 0.007 0.000 1.040 86 V HN 0.076 nan 8.190 nan 0.000 0.457 87 A N 5.788 128.630 122.820 0.037 0.000 2.387 87 A HA 1.025 5.345 4.320 -0.000 0.000 0.303 87 A C -1.438 176.228 177.584 0.138 0.000 1.145 87 A CA -0.763 51.316 52.037 0.070 0.000 0.801 87 A CB 1.972 20.983 19.000 0.018 0.000 1.342 87 A HN 1.643 nan 8.150 nan 0.000 0.440 88 F N 0.592 120.515 119.950 -0.046 0.000 2.581 88 F HA 0.498 5.025 4.527 -0.000 0.000 0.311 88 F C -1.251 174.504 175.800 -0.074 0.000 1.113 88 F CA -0.831 57.136 58.000 -0.056 0.000 0.935 88 F CB 1.531 40.504 39.000 -0.044 0.000 1.232 88 F HN 0.523 nan 8.300 nan 0.000 0.445 89 L N 6.850 127.495 121.223 -0.963 0.000 2.312 89 L HA 0.357 4.697 4.340 -0.000 0.000 0.287 89 L C -1.022 175.292 176.870 -0.927 0.000 1.091 89 L CA 0.192 54.586 54.840 -0.744 0.000 0.846 89 L CB -0.171 41.576 42.059 -0.521 0.000 1.219 89 L HN 0.772 nan 8.230 nan 0.000 0.439 90 N N 3.084 121.511 118.700 -0.456 0.000 2.671 90 N HA 0.591 5.331 4.740 -0.000 0.000 0.303 90 N C -1.225 174.193 175.510 -0.153 0.000 1.277 90 N CA -0.432 52.515 53.050 -0.172 0.000 0.933 90 N CB 2.177 40.743 38.487 0.132 0.000 1.190 90 N HN 0.291 nan 8.380 nan 0.000 0.600 91 V N -0.348 119.528 119.914 -0.063 0.000 2.709 91 V HA 0.626 4.746 4.120 -0.000 0.000 0.308 91 V C 0.257 176.324 176.094 -0.044 0.000 1.062 91 V CA -1.048 61.203 62.300 -0.081 0.000 0.901 91 V CB 1.504 33.287 31.823 -0.066 0.000 1.003 91 V HN 0.735 nan 8.190 nan 0.000 0.425 92 G N 4.971 113.746 108.800 -0.042 0.000 2.329 92 G HA2 0.732 4.692 3.960 -0.000 0.000 0.309 92 G HA3 0.732 4.692 3.960 -0.000 0.000 0.309 92 G C -0.711 174.210 174.900 0.035 0.000 1.110 92 G CA -0.386 44.710 45.100 -0.007 0.000 0.923 92 G HN 0.806 nan 8.290 nan 0.000 0.430 93 M N 1.774 121.370 119.600 -0.008 0.000 2.660 93 M HA 0.372 4.852 4.480 -0.000 0.000 0.281 93 M C -3.123 173.123 176.300 -0.089 0.000 1.131 93 M CA -1.668 53.612 55.300 -0.033 0.000 0.858 93 M CB 1.506 34.095 32.600 -0.019 0.000 1.732 93 M HN 0.061 nan 8.290 nan 0.000 0.516 94 P HA 0.343 nan 4.420 nan 0.000 0.244 94 P C 0.554 177.711 177.300 -0.238 0.000 1.723 94 P CA 1.273 64.281 63.100 -0.154 0.000 1.110 94 P CB -0.388 31.248 31.700 -0.107 0.000 1.972 95 G N 4.168 112.867 108.800 -0.168 0.000 2.642 95 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.231 95 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.231 95 G C -2.603 172.173 174.900 -0.208 0.000 1.338 95 G CA -0.876 44.123 45.100 -0.168 0.000 0.883 95 G HN 0.271 nan 8.290 nan 0.000 0.570 96 P HA 0.329 nan 4.420 nan 0.000 0.214 96 P C 1.158 178.252 177.300 -0.344 0.000 1.826 96 P CA 0.374 63.349 63.100 -0.207 0.000 0.977 96 P CB 0.051 31.650 31.700 -0.167 0.000 1.930 97 V N -3.409 116.222 119.914 -0.472 0.000 3.306 97 V HA 0.211 4.331 4.120 -0.000 0.000 0.264 97 V C 0.248 175.908 176.094 -0.724 0.000 1.149 97 V CA 0.826 62.678 62.300 -0.748 0.000 1.143 97 V CB -1.142 29.762 31.823 -1.530 0.000 0.767 97 V HN -0.079 nan 8.190 nan 0.000 0.476 98 F N 0.359 120.142 119.950 -0.278 0.000 2.593 98 F HA 0.756 5.283 4.527 -0.000 0.000 0.320 98 F C -0.131 175.587 175.800 -0.137 0.000 1.060 98 F CA -1.513 56.400 58.000 -0.145 0.000 0.940 98 F CB 1.928 40.898 39.000 -0.050 0.000 1.268 98 F HN 0.002 nan 8.300 nan 0.000 0.475 99 I N -0.475 120.168 120.570 0.121 0.000 2.498 99 I HA 0.612 4.782 4.170 -0.000 0.000 0.301 99 I C -0.306 175.898 176.117 0.144 0.000 0.984 99 I CA -0.946 60.416 61.300 0.104 0.000 1.204 99 I CB 1.709 39.791 38.000 0.136 0.000 1.362 99 I HN 0.595 nan 8.210 nan 0.000 0.471 100 R N 3.810 124.366 120.500 0.094 0.000 2.220 100 R HA 0.168 4.508 4.340 -0.000 0.000 0.340 100 R C 0.462 176.802 176.300 0.067 0.000 1.076 100 R CA -0.393 55.747 56.100 0.067 0.000 0.920 100 R CB 0.781 31.104 30.300 0.038 0.000 1.062 100 R HN 0.723 nan 8.270 nan 0.000 0.469 101 K N 2.902 123.348 120.400 0.077 0.000 2.007 101 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 101 K C -0.359 176.253 176.600 0.020 0.000 1.047 101 K CA 1.539 57.867 56.287 0.067 0.000 0.937 101 K CB 0.347 32.902 32.500 0.091 0.000 0.718 101 K HN 0.697 nan 8.250 nan 0.000 0.438 102 E N -1.422 118.775 120.200 -0.005 0.000 2.408 102 E HA 0.412 4.762 4.350 -0.000 0.000 0.275 102 E C -1.532 174.951 176.600 -0.195 0.000 0.935 102 E CA -0.795 55.526 56.400 -0.133 0.000 0.775 102 E CB 2.215 31.876 29.700 -0.065 0.000 1.277 102 E HN 0.106 nan 8.360 nan 0.000 0.455 103 S N 0.549 115.987 115.700 -0.437 0.000 2.619 103 S HA 0.612 5.082 4.470 -0.000 0.000 0.280 103 S C -1.471 172.816 174.600 -0.521 0.000 1.150 103 S CA -0.839 57.175 58.200 -0.311 0.000 0.978 103 S CB 0.389 63.458 63.200 -0.218 0.000 1.041 103 S HN 0.443 nan 8.310 nan 0.000 0.485 104 Y N 2.339 122.666 120.300 0.045 0.000 2.446 104 Y HA 0.734 5.284 4.550 -0.000 0.000 0.345 104 Y C 0.022 175.984 175.900 0.104 0.000 0.984 104 Y CA -1.178 56.953 58.100 0.052 0.000 1.058 104 Y CB 1.853 40.339 38.460 0.043 0.000 1.220 104 Y HN 0.890 nan 8.280 nan 0.000 0.455 105 I N 1.962 122.676 120.570 0.240 0.000 2.571 105 I HA 0.777 4.947 4.170 -0.000 0.000 0.289 105 I C 0.058 176.280 176.117 0.175 0.000 1.115 105 I CA -0.126 61.314 61.300 0.234 0.000 1.045 105 I CB 1.322 39.434 38.000 0.187 0.000 1.238 105 I HN 0.794 nan 8.210 nan 0.000 0.424 106 G N 4.695 113.611 108.800 0.193 0.000 2.697 106 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.240 106 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.240 106 G C 0.679 175.653 174.900 0.122 0.000 1.346 106 G CA 0.067 45.256 45.100 0.148 0.000 0.887 106 G HN 1.486 nan 8.290 nan 0.000 0.569 107 G N -0.522 108.327 108.800 0.081 0.000 2.498 107 G HA2 0.204 4.164 3.960 -0.000 0.000 0.219 107 G HA3 0.204 4.164 3.960 -0.000 0.000 0.219 107 G C 0.884 175.860 174.900 0.126 0.000 1.119 107 G CA 1.884 47.012 45.100 0.047 0.000 0.766 107 G HN 0.961 nan 8.290 nan 0.000 0.552 108 Q N -0.281 119.636 119.800 0.194 0.000 2.230 108 Q HA 0.538 4.878 4.340 -0.000 0.000 0.248 108 Q C -0.366 175.820 176.000 0.310 0.000 0.915 108 Q CA -0.831 55.104 55.803 0.221 0.000 0.900 108 Q CB 1.312 30.120 28.738 0.117 0.000 1.229 108 Q HN 0.091 nan 8.270 nan 0.000 0.439 109 L N 3.939 125.297 121.223 0.226 0.000 2.416 109 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 109 L C -0.915 175.907 176.870 -0.080 0.000 1.161 109 L CA 0.281 55.060 54.840 -0.100 0.000 0.845 109 L CB 0.963 42.958 42.059 -0.105 0.000 1.119 109 L HN 0.617 nan 8.230 nan 0.000 0.464 110 V N 7.348 127.167 119.914 -0.158 0.000 2.454 110 V HA 0.260 4.380 4.120 -0.000 0.000 0.255 110 V C -1.634 174.420 176.094 -0.067 0.000 1.009 110 V CA -0.505 61.738 62.300 -0.095 0.000 1.149 110 V CB 0.510 32.264 31.823 -0.114 0.000 1.418 110 V HN 0.808 nan 8.190 nan 0.000 0.567 111 P HA 0.060 nan 4.420 nan 0.000 0.241 111 P C 0.731 178.134 177.300 0.171 0.000 1.191 111 P CA 0.338 63.479 63.100 0.068 0.000 0.771 111 P CB 0.805 32.521 31.700 0.028 0.000 0.929 112 R N 0.353 120.931 120.500 0.130 0.000 2.603 112 R HA 0.431 4.771 4.340 -0.000 0.000 0.231 112 R C 0.677 177.138 176.300 0.269 0.000 1.263 112 R CA -0.391 55.801 56.100 0.153 0.000 1.102 112 R CB 0.240 30.581 30.300 0.070 0.000 1.527 112 R HN -0.033 nan 8.270 nan 0.000 0.554 113 S N -0.412 115.411 115.700 0.206 0.000 2.617 113 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 113 S C -0.044 174.607 174.600 0.085 0.000 1.292 113 S CA -0.752 57.572 58.200 0.208 0.000 1.010 113 S CB 1.115 64.390 63.200 0.125 0.000 0.944 113 S HN 0.428 nan 8.310 nan 0.000 0.536 114 V N -1.201 118.738 119.914 0.042 0.000 3.040 114 V HA 0.679 4.799 4.120 -0.000 0.000 0.312 114 V C -0.460 175.615 176.094 -0.032 0.000 1.115 114 V CA -1.360 60.932 62.300 -0.013 0.000 0.998 114 V CB 1.766 33.554 31.823 -0.058 0.000 1.042 114 V HN 1.078 nan 8.190 nan 0.000 0.433 115 R N 2.424 122.897 120.500 -0.044 0.000 2.198 115 R HA 0.571 4.911 4.340 -0.000 0.000 0.339 115 R C -1.586 174.665 176.300 -0.081 0.000 1.020 115 R CA -0.649 55.419 56.100 -0.054 0.000 0.864 115 R CB 0.981 31.259 30.300 -0.035 0.000 1.105 115 R HN 0.697 nan 8.270 nan 0.000 0.463 116 L N 3.403 124.565 121.223 -0.102 0.000 2.325 116 L HA 0.368 4.708 4.340 -0.000 0.000 0.279 116 L C -0.131 176.716 176.870 -0.039 0.000 1.054 116 L CA -0.316 54.469 54.840 -0.091 0.000 0.804 116 L CB 1.437 43.443 42.059 -0.089 0.000 1.200 116 L HN 0.605 nan 8.230 nan 0.000 0.436 117 E N 1.919 122.173 120.200 0.089 0.000 2.156 117 E HA 0.426 4.776 4.350 -0.000 0.000 0.279 117 E C -0.376 176.177 176.600 -0.078 0.000 0.965 117 E CA -0.378 56.014 56.400 -0.013 0.000 0.789 117 E CB 0.991 30.701 29.700 0.017 0.000 1.098 117 E HN 0.367 nan 8.360 nan 0.000 0.397 118 I N 3.014 123.475 120.570 -0.182 0.000 2.932 118 I HA -0.041 4.129 4.170 -0.000 0.000 0.295 118 I C 1.631 177.649 176.117 -0.165 0.000 1.227 118 I CA 1.810 62.978 61.300 -0.219 0.000 1.429 118 I CB 0.407 38.257 38.000 -0.251 0.000 1.339 118 I HN 0.918 nan 8.210 nan 0.000 0.589 119 G N 3.904 112.583 108.800 -0.201 0.000 2.347 119 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.247 119 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.247 119 G C 0.511 175.318 174.900 -0.155 0.000 1.037 119 G CA 0.090 45.092 45.100 -0.164 0.000 0.622 119 G HN 0.490 nan 8.290 nan 0.000 0.521 120 K N 1.102 121.379 120.400 -0.205 0.000 2.180 120 K HA 0.655 4.975 4.320 -0.000 0.000 0.251 120 K C 0.323 176.660 176.600 -0.437 0.000 1.014 120 K CA 0.513 56.617 56.287 -0.306 0.000 0.913 120 K CB 0.976 33.248 32.500 -0.380 0.000 1.008 120 K HN 0.375 nan 8.250 nan 0.000 0.490 121 T N 1.838 116.044 114.554 -0.580 0.000 2.879 121 T HA 0.626 4.976 4.350 -0.000 0.000 0.290 121 T C -1.499 172.771 174.700 -0.717 0.000 0.993 121 T CA -0.576 61.243 62.100 -0.468 0.000 0.975 121 T CB 0.101 69.000 68.868 0.051 0.000 0.981 121 T HN 0.325 nan 8.240 nan 0.000 0.439 122 Y N 2.044 122.054 120.300 -0.483 0.000 2.602 122 Y HA 0.574 5.124 4.550 -0.000 0.000 0.342 122 Y C -0.078 175.677 175.900 -0.241 0.000 1.029 122 Y CA -1.187 56.685 58.100 -0.380 0.000 1.080 122 Y CB 1.436 39.605 38.460 -0.484 0.000 1.284 122 Y HN 0.750 nan 8.280 nan 0.000 0.485 123 D N 0.382 120.847 120.400 0.109 0.000 2.192 123 D HA 0.490 5.130 4.640 -0.000 0.000 0.246 123 D C -0.949 175.498 176.300 0.245 0.000 1.042 123 D CA -0.502 53.539 54.000 0.069 0.000 0.847 123 D CB 0.977 41.742 40.800 -0.059 0.000 1.186 123 D HN 0.335 nan 8.370 nan 0.000 0.461 124 F N -0.582 119.504 119.950 0.227 0.000 2.613 124 F HA 0.817 5.344 4.527 -0.000 0.000 0.342 124 F C -0.441 175.431 175.800 0.120 0.000 1.066 124 F CA -1.479 56.645 58.000 0.207 0.000 1.002 124 F CB 1.641 40.785 39.000 0.241 0.000 1.319 124 F HN 0.420 nan 8.300 nan 0.000 0.495 125 R N 1.138 121.832 120.500 0.325 0.000 2.522 125 R HA 0.662 5.002 4.340 -0.000 0.000 0.273 125 R C -2.556 173.915 176.300 0.285 0.000 1.133 125 R CA -0.589 55.632 56.100 0.201 0.000 0.969 125 R CB 2.247 32.655 30.300 0.180 0.000 1.235 125 R HN 0.752 nan 8.270 nan 0.000 0.433 126 V N 4.334 124.369 119.914 0.202 0.000 2.588 126 V HA 0.506 4.626 4.120 -0.000 0.000 0.304 126 V C -0.676 175.463 176.094 0.075 0.000 1.042 126 V CA -0.829 61.539 62.300 0.112 0.000 0.877 126 V CB 2.046 33.906 31.823 0.060 0.000 0.996 126 V HN 0.478 nan 8.190 nan 0.000 0.425 127 V N 6.358 126.313 119.914 0.069 0.000 2.378 127 V HA 0.508 4.628 4.120 -0.000 0.000 0.288 127 V C -0.283 175.848 176.094 0.062 0.000 1.016 127 V CA -0.309 62.035 62.300 0.074 0.000 0.840 127 V CB 1.507 33.400 31.823 0.116 0.000 0.994 127 V HN 0.631 nan 8.190 nan 0.000 0.431 128 L N 4.637 125.892 121.223 0.053 0.000 2.334 128 L HA 0.659 4.998 4.340 -0.000 0.000 0.273 128 L C -0.097 176.910 176.870 0.229 0.000 1.013 128 L CA -0.741 54.155 54.840 0.093 0.000 0.816 128 L CB 2.079 44.063 42.059 -0.125 0.000 1.278 128 L HN 0.452 nan 8.230 nan 0.000 0.431 129 K N 1.590 122.194 120.400 0.341 0.000 2.323 129 K HA 0.649 4.969 4.320 -0.000 0.000 0.259 129 K C -0.704 176.163 176.600 0.446 0.000 0.947 129 K CA -0.542 55.970 56.287 0.375 0.000 0.819 129 K CB 2.020 34.729 32.500 0.349 0.000 1.109 129 K HN 0.728 nan 8.250 nan 0.000 0.429 130 A N 3.219 126.254 122.820 0.359 0.000 2.388 130 A HA 0.224 4.544 4.320 -0.000 0.000 0.257 130 A C 0.660 178.206 177.584 -0.064 0.000 1.095 130 A CA -0.028 51.991 52.037 -0.029 0.000 0.791 130 A CB 0.590 19.598 19.000 0.012 0.000 1.029 130 A HN 1.030 nan 8.150 nan 0.000 0.489 131 R N 0.318 120.580 120.500 -0.396 0.000 2.646 131 R HA 0.185 4.525 4.340 -0.000 0.000 0.226 131 R C 0.080 176.174 176.300 -0.344 0.000 0.928 131 R CA 0.070 55.838 56.100 -0.553 0.000 1.010 131 R CB 0.544 30.194 30.300 -1.083 0.000 1.516 131 R HN 0.758 nan 8.270 nan 0.000 0.621 132 R N 1.311 121.635 120.500 -0.293 0.000 2.575 132 R HA 0.422 4.762 4.340 -0.000 0.000 0.293 132 R C -2.783 173.614 176.300 0.162 0.000 0.983 132 R CA -2.145 53.906 56.100 -0.082 0.000 0.887 132 R CB 2.404 32.618 30.300 -0.144 0.000 1.184 132 R HN -0.016 nan 8.270 nan 0.000 0.445 133 P HA 0.251 nan 4.420 nan 0.000 0.271 133 P C -0.451 176.940 177.300 0.151 0.000 1.216 133 P CA 0.104 63.280 63.100 0.126 0.000 0.776 133 P CB 1.065 32.801 31.700 0.061 0.000 0.881 134 G N 1.509 110.234 108.800 -0.124 0.000 2.359 134 G HA2 0.157 4.117 3.960 -0.000 0.000 0.314 134 G HA3 0.157 4.117 3.960 -0.000 0.000 0.314 134 G C -2.178 172.115 174.900 -1.010 0.000 1.364 134 G CA -0.809 43.881 45.100 -0.684 0.000 0.978 134 G HN 0.386 nan 8.290 nan 0.000 0.615 135 D N 0.371 120.163 120.400 -1.013 0.000 2.373 135 D HA 0.491 5.131 4.640 -0.000 0.000 0.227 135 D C -0.621 175.468 176.300 -0.352 0.000 1.091 135 D CA 0.238 53.927 54.000 -0.519 0.000 0.840 135 D CB 0.681 41.327 40.800 -0.256 0.000 1.060 135 D HN 0.438 nan 8.370 nan 0.000 0.502 136 W N 0.328 121.857 121.300 0.381 0.000 2.627 136 W HA 0.285 4.945 4.660 -0.000 0.000 0.339 136 W C 0.687 177.275 176.519 0.115 0.000 1.058 136 W CA -1.079 56.428 57.345 0.269 0.000 1.223 136 W CB 1.490 31.101 29.460 0.252 0.000 1.389 136 W HN 0.264 nan 8.180 nan 0.000 0.541 137 H N 2.484 121.430 119.070 -0.206 0.000 2.724 137 H HA 0.368 4.924 4.556 -0.000 0.000 0.278 137 H C -0.854 174.186 175.328 -0.479 0.000 1.159 137 H CA -0.447 55.090 56.048 -0.851 0.000 1.254 137 H CB 0.618 29.519 29.762 -1.436 0.000 1.412 137 H HN 0.136 nan 8.280 nan 0.000 0.488 138 V N 6.265 125.892 119.914 -0.480 0.000 2.407 138 V HA 0.183 4.303 4.120 -0.000 0.000 0.278 138 V C 0.275 176.061 176.094 -0.514 0.000 1.037 138 V CA -0.614 61.482 62.300 -0.339 0.000 0.900 138 V CB 1.177 32.871 31.823 -0.216 0.000 0.983 138 V HN 0.766 nan 8.190 nan 0.000 0.459 139 H N 1.924 120.830 119.070 -0.273 0.000 2.670 139 H HA 0.475 5.031 4.556 -0.000 0.000 0.361 139 H C -0.468 174.677 175.328 -0.304 0.000 1.169 139 H CA -0.629 55.239 56.048 -0.300 0.000 1.198 139 H CB 2.340 31.924 29.762 -0.296 0.000 1.700 139 H HN 0.565 nan 8.280 nan 0.000 0.542 140 T N 3.170 117.533 114.554 -0.319 0.000 2.781 140 T HA 0.326 4.676 4.350 -0.000 0.000 0.305 140 T C 0.897 175.179 174.700 -0.696 0.000 1.001 140 T CA -0.717 61.059 62.100 -0.541 0.000 0.950 140 T CB 0.155 68.502 68.868 -0.868 0.000 0.955 140 T HN 0.425 nan 8.240 nan 0.000 0.471 141 M N 1.574 120.956 119.600 -0.364 0.000 2.799 141 M HA 0.926 5.406 4.480 -0.000 0.000 0.274 141 M C -0.877 175.391 176.300 -0.054 0.000 1.137 141 M CA -1.267 53.911 55.300 -0.202 0.000 0.897 141 M CB 1.425 33.952 32.600 -0.121 0.000 1.567 141 M HN 0.433 nan 8.290 nan 0.000 0.536 142 M N 2.099 121.731 119.600 0.052 0.000 2.265 142 M HA 0.421 4.901 4.480 -0.000 0.000 0.251 142 M C -2.323 174.030 176.300 0.088 0.000 1.005 142 M CA -0.339 54.989 55.300 0.046 0.000 0.998 142 M CB 1.478 34.125 32.600 0.078 0.000 2.070 142 M HN 0.697 nan 8.290 nan 0.000 0.476 143 N N 3.476 122.250 118.700 0.124 0.000 2.419 143 N HA 0.494 5.234 4.740 -0.000 0.000 0.264 143 N C -1.309 174.279 175.510 0.130 0.000 1.031 143 N CA -0.198 52.935 53.050 0.137 0.000 0.951 143 N CB 2.033 40.633 38.487 0.188 0.000 1.101 143 N HN 0.499 nan 8.380 nan 0.000 0.488 144 V N 3.540 123.526 119.914 0.120 0.000 2.334 144 V HA 0.041 4.161 4.120 -0.000 0.000 0.281 144 V C 0.980 177.136 176.094 0.104 0.000 1.016 144 V CA -0.313 62.069 62.300 0.136 0.000 0.832 144 V CB 1.149 33.109 31.823 0.229 0.000 0.999 144 V HN 0.733 nan 8.190 nan 0.000 0.439 145 Q N 4.920 124.766 119.800 0.077 0.000 2.632 145 Q HA -0.272 4.068 4.340 -0.000 0.000 0.459 145 Q C 0.869 176.903 176.000 0.057 0.000 0.530 145 Q CA 2.405 58.242 55.803 0.057 0.000 1.014 145 Q CB -1.474 27.296 28.738 0.054 0.000 1.769 145 Q HN 1.028 nan 8.270 nan 0.000 1.079 146 G N -0.267 108.580 108.800 0.077 0.000 2.370 146 G HA2 0.596 4.556 3.960 -0.000 0.000 0.317 146 G HA3 0.596 4.556 3.960 -0.000 0.000 0.317 146 G C -0.073 174.877 174.900 0.083 0.000 1.162 146 G CA 0.385 45.527 45.100 0.069 0.000 0.922 146 G HN 1.324 nan 8.290 nan 0.000 0.454 147 G N 0.573 109.406 108.800 0.055 0.000 3.188 147 G HA2 0.500 4.460 3.960 -0.000 0.000 0.683 147 G HA3 0.500 4.460 3.960 -0.000 0.000 0.683 147 G C 0.664 175.589 174.900 0.042 0.000 1.164 147 G CA 0.370 45.495 45.100 0.041 0.000 1.059 147 G HN 2.674 nan 8.290 nan 0.000 0.570 148 G N 2.348 111.159 108.800 0.019 0.000 3.322 148 G HA2 0.318 4.278 3.960 -0.000 0.000 0.686 148 G HA3 0.318 4.278 3.960 -0.000 0.000 0.686 148 G C -2.135 172.782 174.900 0.029 0.000 1.015 148 G CA 0.021 45.124 45.100 0.006 0.000 0.826 148 G HN 1.223 nan 8.290 nan 0.000 0.538 149 P HA 0.521 nan 4.420 nan 0.000 0.293 149 P C 0.106 177.417 177.300 0.017 0.000 1.313 149 P CA -0.473 62.639 63.100 0.020 0.000 0.787 149 P CB 0.884 32.581 31.700 -0.005 0.000 0.910 150 I N 4.974 125.582 120.570 0.063 0.000 2.310 150 I HA 0.273 4.443 4.170 -0.000 0.000 0.287 150 I C 0.311 176.521 176.117 0.154 0.000 1.073 150 I CA -0.392 60.972 61.300 0.106 0.000 1.216 150 I CB 0.238 38.333 38.000 0.157 0.000 1.415 150 I HN 0.145 nan 8.210 nan 0.000 0.480 151 I N 5.834 126.432 120.570 0.046 0.000 2.301 151 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 151 I C 1.253 177.306 176.117 -0.107 0.000 1.046 151 I CA -0.170 61.069 61.300 -0.101 0.000 1.282 151 I CB 0.859 38.730 38.000 -0.215 0.000 1.409 151 I HN 0.535 nan 8.210 nan 0.000 0.484 152 G N 7.953 116.502 108.800 -0.418 0.000 2.583 152 G HA2 0.264 4.224 3.960 -0.000 0.000 0.275 152 G HA3 0.264 4.224 3.960 -0.000 0.000 0.275 152 G C -2.513 172.235 174.900 -0.254 0.000 1.342 152 G CA -0.807 43.804 45.100 -0.815 0.000 1.030 152 G HN 0.356 nan 8.290 nan 0.000 0.520 153 P HA 0.237 nan 4.420 nan 0.000 0.271 153 P C 0.020 177.196 177.300 -0.206 0.000 1.218 153 P CA 0.065 63.118 63.100 -0.078 0.000 0.780 153 P CB 1.037 32.703 31.700 -0.056 0.000 0.901 154 G N 1.847 110.371 108.800 -0.461 0.000 2.343 154 G HA2 0.501 4.461 3.960 -0.000 0.000 0.319 154 G HA3 0.501 4.461 3.960 -0.000 0.000 0.319 154 G C -0.933 173.255 174.900 -1.186 0.000 1.126 154 G CA -0.518 43.744 45.100 -1.397 0.000 0.889 154 G HN 0.484 nan 8.290 nan 0.000 0.457 155 K N 1.738 121.495 120.400 -1.071 0.000 2.270 155 K HA 0.396 4.716 4.320 -0.000 0.000 0.255 155 K C -1.162 175.110 176.600 -0.548 0.000 0.936 155 K CA -0.952 54.822 56.287 -0.856 0.000 0.809 155 K CB 1.393 33.062 32.500 -1.386 0.000 1.131 155 K HN 0.496 nan 8.250 nan 0.000 0.427 156 W N 5.512 126.756 121.300 -0.094 0.000 2.345 156 W HA 0.337 4.997 4.660 -0.000 0.000 0.308 156 W C -0.273 176.215 176.519 -0.051 0.000 1.273 156 W CA -0.384 56.994 57.345 0.056 0.000 1.243 156 W CB 0.483 29.962 29.460 0.032 0.000 1.260 156 W HN 0.282 nan 8.180 nan 0.000 0.509 157 I N 3.431 124.159 120.570 0.263 0.000 2.509 157 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 157 I C -0.072 176.223 176.117 0.296 0.000 1.020 157 I CA -0.904 60.535 61.300 0.232 0.000 1.088 157 I CB 1.913 40.046 38.000 0.222 0.000 1.267 157 I HN 0.134 nan 8.210 nan 0.000 0.430 158 T N 5.210 119.876 114.554 0.187 0.000 2.795 158 T HA 0.433 4.783 4.350 -0.000 0.000 0.282 158 T C -0.198 174.575 174.700 0.122 0.000 0.980 158 T CA -0.458 61.693 62.100 0.084 0.000 1.012 158 T CB 1.710 70.582 68.868 0.008 0.000 0.936 158 T HN 0.195 nan 8.240 nan 0.000 0.457 159 V N 4.471 124.429 119.914 0.074 0.000 2.347 159 V HA 0.317 4.437 4.120 -0.000 0.000 0.280 159 V C 0.217 176.332 176.094 0.035 0.000 1.021 159 V CA -0.798 61.552 62.300 0.083 0.000 0.847 159 V CB 1.153 33.019 31.823 0.070 0.000 0.990 159 V HN 0.832 nan 8.190 nan 0.000 0.444 160 E N 3.356 123.582 120.200 0.042 0.000 2.204 160 E HA 0.768 5.118 4.350 -0.000 0.000 0.276 160 E C 0.416 177.039 176.600 0.038 0.000 0.974 160 E CA -0.122 56.294 56.400 0.027 0.000 0.815 160 E CB 2.377 32.092 29.700 0.025 0.000 1.119 160 E HN 0.925 nan 8.360 nan 0.000 0.393 161 G N 1.269 110.088 108.800 0.032 0.000 2.278 161 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.265 161 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.265 161 G C -1.120 173.804 174.900 0.040 0.000 1.329 161 G CA -0.816 44.308 45.100 0.040 0.000 1.017 161 G HN 0.393 nan 8.290 nan 0.000 0.472 162 S N -0.317 115.413 115.700 0.049 0.000 2.532 162 S HA 0.475 4.945 4.470 -0.000 0.000 0.299 162 S C 1.128 175.766 174.600 0.065 0.000 1.105 162 S CA 0.140 58.370 58.200 0.049 0.000 1.018 162 S CB 1.596 64.822 63.200 0.044 0.000 1.021 162 S HN 0.782 nan 8.310 nan 0.000 0.483 163 M N 3.028 122.660 119.600 0.054 0.000 2.213 163 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 163 M C 1.791 178.153 176.300 0.102 0.000 1.062 163 M CA 1.717 57.055 55.300 0.063 0.000 1.105 163 M CB -0.256 32.357 32.600 0.021 0.000 1.385 163 M HN 0.748 nan 8.290 nan 0.000 0.417 164 S N -0.128 115.618 115.700 0.077 0.000 2.465 164 S HA -0.131 4.339 4.470 -0.000 0.000 0.241 164 S C 1.536 176.187 174.600 0.085 0.000 1.000 164 S CA 1.092 59.337 58.200 0.076 0.000 0.964 164 S CB -0.540 62.691 63.200 0.053 0.000 0.763 164 S HN 0.547 nan 8.310 nan 0.000 0.512 165 E N 0.712 120.970 120.200 0.096 0.000 2.216 165 E HA 0.211 4.561 4.350 -0.000 0.000 0.192 165 E C 0.314 176.977 176.600 0.104 0.000 0.988 165 E CA -0.134 56.317 56.400 0.086 0.000 0.834 165 E CB -0.249 29.498 29.700 0.078 0.000 0.772 165 E HN 0.649 nan 8.360 nan 0.000 0.479 166 F N 2.648 122.606 119.950 0.013 0.000 2.572 166 F HA 0.033 4.560 4.527 -0.000 0.000 0.370 166 F C 0.437 176.247 175.800 0.017 0.000 1.103 166 F CA 0.249 58.256 58.000 0.012 0.000 1.286 166 F CB 0.453 39.453 39.000 0.001 0.000 1.105 166 F HN -0.272 nan 8.300 nan 0.000 0.583 167 R N 3.992 123.990 120.500 -0.836 0.000 2.744 167 R HA 0.272 4.612 4.340 -0.000 0.000 0.279 167 R C -1.451 174.306 176.300 -0.905 0.000 0.977 167 R CA -1.090 54.632 56.100 -0.630 0.000 0.906 167 R CB 1.585 31.709 30.300 -0.292 0.000 1.197 167 R HN 0.574 nan 8.270 nan 0.000 0.463 168 N N 2.503 120.941 118.700 -0.436 0.000 2.762 168 N HA 0.260 5.000 4.740 -0.000 0.000 0.252 168 N C -2.683 172.769 175.510 -0.097 0.000 1.269 168 N CA -1.808 51.111 53.050 -0.218 0.000 0.799 168 N CB 1.272 39.776 38.487 0.028 0.000 1.173 168 N HN 0.232 nan 8.380 nan 0.000 0.516 169 P HA 0.224 nan 4.420 nan 0.000 0.284 169 P C -0.874 176.391 177.300 -0.058 0.000 1.253 169 P CA -0.440 62.618 63.100 -0.070 0.000 0.800 169 P CB 2.025 33.685 31.700 -0.067 0.000 0.961 170 V N 2.734 122.607 119.914 -0.068 0.000 2.733 170 V HA 0.414 4.534 4.120 -0.000 0.000 0.306 170 V C -0.929 175.117 176.094 -0.080 0.000 1.084 170 V CA -0.314 61.945 62.300 -0.069 0.000 0.905 170 V CB 2.340 34.118 31.823 -0.074 0.000 1.010 170 V HN 0.537 nan 8.190 nan 0.000 0.424 171 T N 4.958 119.480 114.554 -0.054 0.000 2.767 171 T HA 0.528 4.878 4.350 -0.000 0.000 0.288 171 T C 0.192 174.865 174.700 -0.045 0.000 0.963 171 T CA 0.063 62.136 62.100 -0.046 0.000 1.019 171 T CB 1.058 69.910 68.868 -0.026 0.000 0.923 171 T HN 1.046 nan 8.240 nan 0.000 0.468 172 T N 0.679 115.205 114.554 -0.047 0.000 2.902 172 T HA 0.417 4.767 4.350 -0.000 0.000 0.280 172 T C 1.228 175.920 174.700 -0.013 0.000 0.992 172 T CA -0.986 61.093 62.100 -0.035 0.000 1.015 172 T CB 0.511 69.358 68.868 -0.035 0.000 1.044 172 T HN 0.422 nan 8.240 nan 0.000 0.520 173 L N 0.770 121.990 121.223 -0.004 0.000 2.749 173 L HA 0.064 4.404 4.340 -0.000 0.000 0.245 173 L C 2.003 178.878 176.870 0.008 0.000 1.156 173 L CA 0.625 55.467 54.840 0.003 0.000 0.890 173 L CB -0.566 41.496 42.059 0.007 0.000 1.036 173 L HN 0.855 nan 8.230 nan 0.000 0.441 174 T N -1.291 113.269 114.554 0.011 0.000 3.132 174 T HA 0.301 4.651 4.350 -0.000 0.000 0.274 174 T C 1.296 176.003 174.700 0.012 0.000 1.011 174 T CA 0.643 62.754 62.100 0.018 0.000 0.899 174 T CB 0.566 69.457 68.868 0.039 0.000 1.089 174 T HN 0.568 nan 8.240 nan 0.000 0.543 175 G N 2.026 110.828 108.800 0.004 0.000 2.454 175 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.225 175 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.225 175 G C 0.152 175.052 174.900 -0.000 0.000 1.138 175 G CA 0.114 45.215 45.100 0.001 0.000 0.667 175 G HN 0.644 nan 8.290 nan 0.000 0.512 176 Q N 0.663 120.465 119.800 0.005 0.000 2.340 176 Q HA 0.661 5.001 4.340 -0.000 0.000 0.249 176 Q C -0.651 175.335 176.000 -0.022 0.000 0.957 176 Q CA 0.293 56.099 55.803 0.005 0.000 0.882 176 Q CB 1.214 29.974 28.738 0.035 0.000 1.235 176 Q HN 0.103 nan 8.270 nan 0.000 0.439 177 T N 2.101 116.643 114.554 -0.020 0.000 2.864 177 T HA 0.486 4.836 4.350 -0.000 0.000 0.310 177 T C -0.793 173.885 174.700 -0.037 0.000 1.040 177 T CA -0.656 61.422 62.100 -0.038 0.000 0.977 177 T CB 0.756 69.610 68.868 -0.023 0.000 0.976 177 T HN 0.545 nan 8.240 nan 0.000 0.459 178 V N 0.920 120.780 119.914 -0.090 0.000 3.019 178 V HA 0.778 4.898 4.120 -0.000 0.000 0.317 178 V C -0.708 175.356 176.094 -0.050 0.000 1.094 178 V CA -1.075 61.182 62.300 -0.073 0.000 1.000 178 V CB 2.243 33.896 31.823 -0.284 0.000 1.060 178 V HN 0.597 nan 8.190 nan 0.000 0.443 179 D N 1.904 122.323 120.400 0.032 0.000 2.392 179 D HA 0.307 4.947 4.640 -0.000 0.000 0.228 179 D C 0.678 177.027 176.300 0.083 0.000 1.074 179 D CA -0.443 53.574 54.000 0.029 0.000 0.838 179 D CB 1.653 42.470 40.800 0.028 0.000 1.067 179 D HN 0.456 nan 8.370 nan 0.000 0.511 180 L N 3.650 124.904 121.223 0.052 0.000 2.187 180 L HA -0.108 4.232 4.340 -0.000 0.000 0.213 180 L C 2.049 178.999 176.870 0.133 0.000 1.100 180 L CA 1.329 56.226 54.840 0.095 0.000 0.765 180 L CB -0.499 41.600 42.059 0.067 0.000 0.904 180 L HN 0.527 nan 8.230 nan 0.000 0.437 181 E N -0.022 120.261 120.200 0.138 0.000 2.209 181 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 181 E C 1.236 177.904 176.600 0.115 0.000 0.993 181 E CA 1.381 57.875 56.400 0.155 0.000 0.819 181 E CB -0.064 29.754 29.700 0.196 0.000 0.745 181 E HN 0.827 nan 8.360 nan 0.000 0.477 182 N N -2.283 116.488 118.700 0.119 0.000 1.986 182 N HA -0.079 4.661 4.740 -0.000 0.000 0.227 182 N C 0.112 175.687 175.510 0.108 0.000 1.387 182 N CA -0.297 52.808 53.050 0.093 0.000 0.810 182 N CB -0.184 38.354 38.487 0.086 0.000 1.140 182 N HN -0.046 nan 8.380 nan 0.000 0.504 183 Y N 3.085 123.397 120.300 0.020 0.000 2.810 183 Y HA -0.121 4.429 4.550 -0.000 0.000 0.332 183 Y C 1.116 177.019 175.900 0.006 0.000 1.243 183 Y CA 1.186 59.298 58.100 0.021 0.000 1.537 183 Y CB 0.266 38.739 38.460 0.021 0.000 1.265 183 Y HN 0.322 nan 8.280 nan 0.000 0.572 184 N N 2.093 120.473 118.700 -0.534 0.000 2.828 184 N HA -0.296 4.444 4.740 -0.000 0.000 0.248 184 N C 0.955 176.336 175.510 -0.215 0.000 1.044 184 N CA 1.467 54.223 53.050 -0.490 0.000 0.851 184 N CB -1.155 36.951 38.487 -0.635 0.000 1.136 184 N HN 0.901 nan 8.380 nan 0.000 0.572 185 E N -0.784 119.328 120.200 -0.147 0.000 2.028 185 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 185 E C 1.905 178.400 176.600 -0.175 0.000 0.984 185 E CA 1.244 57.532 56.400 -0.186 0.000 0.800 185 E CB -0.513 29.128 29.700 -0.099 0.000 0.758 185 E HN 0.512 nan 8.360 nan 0.000 0.448 186 G N 0.958 109.761 108.800 0.005 0.000 2.402 186 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 186 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 186 G C 1.463 176.454 174.900 0.151 0.000 1.162 186 G CA 0.957 46.146 45.100 0.148 0.000 0.777 186 G HN 0.240 nan 8.290 nan 0.000 0.539 187 N N 0.491 119.231 118.700 0.067 0.000 2.036 187 N HA -0.133 4.607 4.740 -0.000 0.000 0.195 187 N C 2.257 177.930 175.510 0.272 0.000 1.037 187 N CA 2.225 55.352 53.050 0.127 0.000 0.855 187 N CB -0.648 37.882 38.487 0.072 0.000 1.033 187 N HN 0.208 nan 8.380 nan 0.000 0.423 188 T N -0.087 114.556 114.554 0.148 0.000 2.635 188 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 188 T C 1.398 176.304 174.700 0.343 0.000 1.040 188 T CA 1.648 63.864 62.100 0.192 0.000 1.156 188 T CB -0.658 68.164 68.868 -0.077 0.000 0.863 188 T HN 0.225 nan 8.240 nan 0.000 0.430 189 Y N 0.701 121.119 120.300 0.197 0.000 2.040 189 Y HA -0.141 4.409 4.550 -0.000 0.000 0.275 189 Y C 2.198 178.228 175.900 0.217 0.000 1.171 189 Y CA 0.589 58.789 58.100 0.167 0.000 1.123 189 Y CB -1.439 37.075 38.460 0.089 0.000 0.963 189 Y HN 0.217 nan 8.280 nan 0.000 0.493 190 F N -0.871 119.193 119.950 0.190 0.000 2.045 190 F HA -0.358 4.169 4.527 -0.000 0.000 0.297 190 F C 2.050 177.832 175.800 -0.029 0.000 1.114 190 F CA 2.021 59.989 58.000 -0.052 0.000 1.207 190 F CB -0.967 37.835 39.000 -0.330 0.000 0.964 190 F HN 0.091 nan 8.300 nan 0.000 0.486 191 W N -0.531 121.138 121.300 0.614 0.000 2.338 191 W HA -0.193 4.467 4.660 -0.000 0.000 0.304 191 W C 2.680 179.464 176.519 0.441 0.000 1.212 191 W CA 1.800 59.459 57.345 0.523 0.000 1.264 191 W CB -0.859 28.886 29.460 0.476 0.000 1.142 191 W HN 0.146 nan 8.180 nan 0.000 0.512 192 H N -0.825 118.581 119.070 0.560 0.000 2.326 192 H HA -0.076 4.480 4.556 -0.000 0.000 0.301 192 H C 2.244 177.789 175.328 0.362 0.000 1.081 192 H CA 2.151 58.479 56.048 0.466 0.000 1.334 192 H CB -0.775 29.201 29.762 0.356 0.000 1.385 192 H HN 0.077 nan 8.280 nan 0.000 0.504 193 A N 0.518 123.521 122.820 0.305 0.000 1.865 193 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 193 A C 2.252 179.877 177.584 0.070 0.000 1.191 193 A CA 1.785 53.893 52.037 0.118 0.000 0.623 193 A CB -1.255 17.716 19.000 -0.047 0.000 0.826 193 A HN 0.499 nan 8.150 nan 0.000 0.444 194 F N -0.935 118.827 119.950 -0.312 0.000 2.065 194 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 194 F C 2.081 177.756 175.800 -0.208 0.000 1.112 194 F CA 2.216 59.931 58.000 -0.476 0.000 1.212 194 F CB -0.395 38.086 39.000 -0.865 0.000 0.975 194 F HN 0.420 nan 8.300 nan 0.000 0.476 195 W N -1.034 120.395 121.300 0.216 0.000 2.418 195 W HA -0.126 4.534 4.660 -0.000 0.000 0.292 195 W C 2.391 178.938 176.519 0.047 0.000 1.213 195 W CA 0.894 58.303 57.345 0.107 0.000 1.283 195 W CB -0.821 28.770 29.460 0.217 0.000 1.119 195 W HN 0.081 nan 8.180 nan 0.000 0.542 196 F N 1.126 121.218 119.950 0.237 0.000 2.095 196 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 196 F C 2.404 178.253 175.800 0.082 0.000 1.104 196 F CA 2.174 60.271 58.000 0.162 0.000 1.232 196 F CB -0.775 38.314 39.000 0.148 0.000 0.987 196 F HN -0.136 nan 8.300 nan 0.000 0.475 197 A N 0.722 123.669 122.820 0.213 0.000 1.873 197 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 197 A C 2.261 179.843 177.584 -0.005 0.000 1.193 197 A CA 2.281 54.355 52.037 0.063 0.000 0.629 197 A CB -1.339 17.605 19.000 -0.095 0.000 0.826 197 A HN 0.502 nan 8.150 nan 0.000 0.447 198 I N -0.470 120.046 120.570 -0.091 0.000 2.127 198 I HA -0.261 3.909 4.170 -0.000 0.000 0.241 198 I C 2.752 178.999 176.117 0.216 0.000 1.075 198 I CA 1.280 62.607 61.300 0.046 0.000 1.334 198 I CB -0.730 37.270 38.000 0.000 0.000 1.040 198 I HN 0.429 nan 8.210 nan 0.000 0.405 199 G N 0.407 109.274 108.800 0.111 0.000 2.505 199 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 199 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 199 G C 1.670 176.605 174.900 0.059 0.000 1.145 199 G CA 1.249 46.379 45.100 0.051 0.000 0.761 199 G HN 0.270 nan 8.290 nan 0.000 0.571 200 V N 1.701 121.604 119.914 -0.017 0.000 2.237 200 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 200 V C 3.358 179.529 176.094 0.128 0.000 1.046 200 V CA 2.202 64.528 62.300 0.043 0.000 1.007 200 V CB -1.249 30.624 31.823 0.084 0.000 0.638 200 V HN 0.522 nan 8.190 nan 0.000 0.445 201 A N 0.164 123.090 122.820 0.178 0.000 1.896 201 A HA -0.347 3.973 4.320 -0.000 0.000 0.220 201 A C 2.180 179.973 177.584 0.349 0.000 1.206 201 A CA 2.634 54.832 52.037 0.268 0.000 0.647 201 A CB -1.177 18.014 19.000 0.319 0.000 0.828 201 A HN 0.811 nan 8.150 nan 0.000 0.455 202 W N 0.621 121.984 121.300 0.106 0.000 2.333 202 W HA -0.209 4.451 4.660 -0.000 0.000 0.316 202 W C 1.938 178.517 176.519 0.100 0.000 1.215 202 W CA 2.046 59.270 57.345 -0.202 0.000 1.278 202 W CB -0.414 28.765 29.460 -0.467 0.000 1.154 202 W HN 0.368 nan 8.180 nan 0.000 0.486 203 I N 1.345 121.936 120.570 0.036 0.000 2.127 203 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 203 I C 2.822 178.920 176.117 -0.033 0.000 1.075 203 I CA 1.782 63.042 61.300 -0.066 0.000 1.334 203 I CB -1.624 36.376 38.000 -0.001 0.000 1.040 203 I HN 0.080 nan 8.210 nan 0.000 0.405 204 G N 0.634 109.446 108.800 0.020 0.000 2.624 204 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.221 204 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.221 204 G C 1.657 176.542 174.900 -0.024 0.000 1.169 204 G CA 1.609 46.720 45.100 0.017 0.000 0.771 204 G HN 0.508 nan 8.290 nan 0.000 0.598 205 Y N 0.117 120.321 120.300 -0.160 0.000 2.165 205 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 205 Y C 2.550 178.169 175.900 -0.468 0.000 1.155 205 Y CA 2.077 59.991 58.100 -0.310 0.000 1.164 205 Y CB -0.277 37.958 38.460 -0.375 0.000 0.978 205 Y HN 0.305 nan 8.280 nan 0.000 0.513 206 W N -0.308 120.690 121.300 -0.503 0.000 2.518 206 W HA -0.011 4.649 4.660 -0.000 0.000 0.273 206 W C 2.382 178.654 176.519 -0.412 0.000 1.247 206 W CA 1.216 58.224 57.345 -0.561 0.000 1.288 206 W CB -0.308 28.822 29.460 -0.550 0.000 1.107 206 W HN -0.086 nan 8.180 nan 0.000 0.586 207 S N -0.137 115.488 115.700 -0.125 0.000 2.593 207 S HA 0.022 4.492 4.470 -0.000 0.000 0.217 207 S C 1.775 176.296 174.600 -0.133 0.000 0.966 207 S CA 0.076 58.202 58.200 -0.124 0.000 0.914 207 S CB -0.076 63.070 63.200 -0.090 0.000 0.776 207 S HN 0.070 nan 8.310 nan 0.000 0.523 208 R N 2.517 122.908 120.500 -0.182 0.000 2.073 208 R HA 0.077 4.417 4.340 -0.000 0.000 0.229 208 R C 1.223 177.426 176.300 -0.162 0.000 1.120 208 R CA 0.807 56.809 56.100 -0.164 0.000 0.967 208 R CB -0.467 29.726 30.300 -0.179 0.000 0.862 208 R HN 0.481 nan 8.270 nan 0.000 0.436 209 R N 2.172 122.548 120.500 -0.207 0.000 2.726 209 R HA 0.201 4.541 4.340 -0.000 0.000 0.272 209 R C -2.263 173.964 176.300 -0.122 0.000 1.097 209 R CA -1.450 54.558 56.100 -0.155 0.000 1.198 209 R CB -1.108 29.091 30.300 -0.168 0.000 1.114 209 R HN -0.040 nan 8.270 nan 0.000 0.550 210 P HA 0.129 nan 4.420 nan 0.000 0.275 210 P C 0.347 177.565 177.300 -0.135 0.000 1.227 210 P CA -0.151 62.897 63.100 -0.087 0.000 0.781 210 P CB 0.739 32.408 31.700 -0.050 0.000 0.906 211 I N 0.409 120.857 120.570 -0.204 0.000 2.512 211 I HA -0.032 4.138 4.170 -0.000 0.000 0.247 211 I C 1.611 177.372 176.117 -0.593 0.000 1.094 211 I CA 1.066 62.083 61.300 -0.472 0.000 1.427 211 I CB -0.299 37.290 38.000 -0.683 0.000 1.149 211 I HN 0.200 nan 8.210 nan 0.000 0.438 212 F N 0.481 120.416 119.950 -0.024 0.000 2.453 212 F HA 0.269 4.796 4.527 -0.000 0.000 0.239 212 F C 2.206 177.994 175.800 -0.020 0.000 1.013 212 F CA 0.005 57.990 58.000 -0.024 0.000 1.025 212 F CB -0.497 38.490 39.000 -0.022 0.000 1.214 212 F HN -0.283 nan 8.300 nan 0.000 0.681 213 I N 1.588 122.280 120.570 0.203 0.000 2.194 213 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 213 I C -0.670 175.481 176.117 0.057 0.000 1.093 213 I CA 1.329 62.691 61.300 0.104 0.000 1.355 213 I CB -2.076 35.966 38.000 0.070 0.000 1.046 213 I HN 0.165 nan 8.210 nan 0.000 0.413 214 P HA -0.159 nan 4.420 nan 0.000 0.215 214 P C 1.560 178.867 177.300 0.011 0.000 1.157 214 P CA 1.619 64.728 63.100 0.016 0.000 0.863 214 P CB -0.216 31.485 31.700 0.002 0.000 0.787 215 R N -0.511 119.991 120.500 0.004 0.000 2.081 215 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 215 R C 2.529 178.836 176.300 0.012 0.000 1.131 215 R CA 0.818 56.914 56.100 -0.007 0.000 0.960 215 R CB -1.168 29.106 30.300 -0.043 0.000 0.856 215 R HN 0.193 nan 8.270 nan 0.000 0.436 216 L N 1.312 122.559 121.223 0.040 0.000 2.012 216 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 216 L C 2.006 178.890 176.870 0.025 0.000 1.073 216 L CA 1.872 56.738 54.840 0.044 0.000 0.748 216 L CB -0.486 41.614 42.059 0.068 0.000 0.891 216 L HN 0.266 nan 8.230 nan 0.000 0.431 217 L N -1.132 120.104 121.223 0.022 0.000 2.109 217 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 217 L C 2.613 179.488 176.870 0.009 0.000 1.086 217 L CA 0.893 55.741 54.840 0.014 0.000 0.760 217 L CB -0.355 41.712 42.059 0.013 0.000 0.910 217 L HN 0.276 nan 8.230 nan 0.000 0.437 218 M N -0.566 119.039 119.600 0.008 0.000 2.159 218 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 218 M C 2.103 178.406 176.300 0.004 0.000 1.063 218 M CA 1.568 56.871 55.300 0.005 0.000 1.110 218 M CB -0.169 32.433 32.600 0.003 0.000 1.374 218 M HN -0.045 nan 8.290 nan 0.000 0.411 219 V N 0.274 120.190 119.914 0.004 0.000 2.343 219 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 219 V C 1.749 177.846 176.094 0.004 0.000 1.051 219 V CA 1.882 64.183 62.300 0.003 0.000 1.036 219 V CB -0.750 31.074 31.823 0.001 0.000 0.654 219 V HN 0.453 nan 8.190 nan 0.000 0.451 220 D N 0.402 120.805 120.400 0.006 0.000 1.971 220 D HA 0.030 4.670 4.640 -0.000 0.000 0.253 220 D C 1.101 177.403 176.300 0.004 0.000 1.019 220 D CA 1.255 55.258 54.000 0.005 0.000 0.947 220 D CB -0.702 40.101 40.800 0.006 0.000 1.256 220 D HN 0.426 nan 8.370 nan 0.000 0.493 221 A N -0.281 122.542 122.820 0.004 0.000 2.555 221 A HA 0.439 4.759 4.320 -0.000 0.000 0.233 221 A C 1.050 178.636 177.584 0.004 0.000 1.060 221 A CA 0.606 52.645 52.037 0.003 0.000 0.759 221 A CB -0.733 18.269 19.000 0.003 0.000 0.995 221 A HN 0.631 nan 8.150 nan 0.000 0.506 222 G N 1.225 110.027 108.800 0.003 0.000 2.992 222 G HA2 0.048 4.008 3.960 -0.000 0.000 0.340 222 G HA3 0.048 4.008 3.960 -0.000 0.000 0.340 222 G C -0.082 174.821 174.900 0.004 0.000 1.539 222 G CA 0.220 45.322 45.100 0.004 0.000 0.997 222 G HN 1.869 nan 8.290 nan 0.000 0.561 223 R N 0.450 120.953 120.500 0.005 0.000 2.641 223 R HA 0.762 5.102 4.340 -0.000 0.000 0.269 223 R C 1.264 177.568 176.300 0.007 0.000 1.074 223 R CA 0.557 56.661 56.100 0.006 0.000 1.133 223 R CB -0.263 30.041 30.300 0.007 0.000 1.029 223 R HN 1.504 nan 8.270 nan 0.000 0.488 224 A N 1.479 124.302 122.820 0.006 0.000 2.582 224 A HA -0.104 4.216 4.320 -0.000 0.000 0.183 224 A C 1.075 178.667 177.584 0.013 0.000 1.414 224 A CA 1.435 53.475 52.037 0.006 0.000 0.708 224 A CB -1.206 17.794 19.000 0.001 0.000 1.020 224 A HN 1.039 nan 8.150 nan 0.000 0.517 225 D N -1.522 118.888 120.400 0.018 0.000 4.448 225 D HA -0.405 4.235 4.640 -0.000 0.000 0.249 225 D C 0.968 177.289 176.300 0.035 0.000 1.774 225 D CA 2.609 56.627 54.000 0.030 0.000 1.581 225 D CB -1.512 39.304 40.800 0.027 0.000 0.944 225 D HN 0.681 nan 8.370 nan 0.000 0.964 226 E N 0.326 120.541 120.200 0.025 0.000 2.208 226 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 226 E C 2.250 178.868 176.600 0.029 0.000 1.014 226 E CA 1.868 58.282 56.400 0.023 0.000 0.819 226 E CB -0.399 29.309 29.700 0.014 0.000 0.735 226 E HN 0.803 nan 8.360 nan 0.000 0.469 227 L N -0.999 120.245 121.223 0.035 0.000 2.249 227 L HA 0.202 4.542 4.340 -0.000 0.000 0.207 227 L C 1.424 178.359 176.870 0.109 0.000 1.090 227 L CA 0.264 55.133 54.840 0.048 0.000 0.802 227 L CB -0.435 41.641 42.059 0.029 0.000 0.947 227 L HN -0.090 nan 8.230 nan 0.000 0.453 228 V N 3.300 123.292 119.914 0.129 0.000 2.372 228 V HA 0.302 4.422 4.120 -0.000 0.000 0.261 228 V C 0.127 176.317 176.094 0.160 0.000 1.055 228 V CA -0.011 62.425 62.300 0.228 0.000 0.930 228 V CB 0.650 32.594 31.823 0.202 0.000 1.031 228 V HN 0.530 nan 8.190 nan 0.000 0.479 229 S N 6.354 122.137 115.700 0.139 0.000 2.577 229 S HA 0.722 5.192 4.470 -0.000 0.000 0.294 229 S C 0.162 174.814 174.600 0.087 0.000 1.161 229 S CA -0.096 58.153 58.200 0.082 0.000 1.143 229 S CB 1.152 64.374 63.200 0.037 0.000 0.991 229 S HN 1.761 nan 8.310 nan 0.000 0.475 230 A N 3.438 126.317 122.820 0.100 0.000 2.572 230 A HA 0.251 4.571 4.320 -0.000 0.000 0.256 230 A C 1.502 179.121 177.584 0.059 0.000 1.041 230 A CA 0.433 52.522 52.037 0.087 0.000 0.790 230 A CB -0.555 18.490 19.000 0.074 0.000 0.947 230 A HN 1.352 nan 8.150 nan 0.000 0.518 231 T N -0.080 114.506 114.554 0.053 0.000 3.284 231 T HA -0.004 4.346 4.350 -0.000 0.000 0.252 231 T C 0.790 175.542 174.700 0.085 0.000 1.144 231 T CA 0.837 62.974 62.100 0.062 0.000 1.021 231 T CB -0.187 68.707 68.868 0.044 0.000 0.984 231 T HN 0.600 nan 8.240 nan 0.000 0.545 232 D N 2.822 123.285 120.400 0.105 0.000 2.097 232 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 232 D C 2.434 178.870 176.300 0.228 0.000 0.989 232 D CA 1.378 55.467 54.000 0.149 0.000 0.827 232 D CB -0.165 40.752 40.800 0.194 0.000 0.966 232 D HN 0.713 nan 8.370 nan 0.000 0.456 233 R N 1.251 121.878 120.500 0.211 0.000 2.152 233 R HA -0.060 4.279 4.340 -0.000 0.000 0.232 233 R C 1.924 178.318 176.300 0.156 0.000 1.117 233 R CA 0.875 57.098 56.100 0.205 0.000 0.981 233 R CB -0.225 30.172 30.300 0.160 0.000 0.870 233 R HN 0.073 nan 8.270 nan 0.000 0.451 234 K N 1.078 121.545 120.400 0.113 0.000 1.987 234 K HA -0.145 4.175 4.320 -0.000 0.000 0.216 234 K C 2.197 178.858 176.600 0.102 0.000 1.051 234 K CA 2.245 58.583 56.287 0.084 0.000 0.942 234 K CB -0.415 32.118 32.500 0.055 0.000 0.722 234 K HN 0.048 nan 8.250 nan 0.000 0.444 235 V N 1.485 121.449 119.914 0.083 0.000 2.278 235 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 235 V C 2.458 178.736 176.094 0.307 0.000 1.062 235 V CA 2.145 64.498 62.300 0.087 0.000 1.038 235 V CB -1.117 30.553 31.823 -0.254 0.000 0.646 235 V HN 0.427 nan 8.190 nan 0.000 0.447 236 A N 1.228 124.261 122.820 0.355 0.000 1.873 236 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 236 A C 2.321 180.021 177.584 0.193 0.000 1.193 236 A CA 2.858 55.127 52.037 0.388 0.000 0.629 236 A CB -0.558 18.694 19.000 0.419 0.000 0.826 236 A HN 0.719 nan 8.150 nan 0.000 0.447 237 M N -1.208 118.486 119.600 0.157 0.000 2.419 237 M HA 0.155 4.635 4.480 -0.000 0.000 0.264 237 M C 1.922 178.279 176.300 0.094 0.000 1.082 237 M CA 1.448 56.806 55.300 0.097 0.000 1.119 237 M CB -0.851 31.794 32.600 0.075 0.000 1.398 237 M HN 0.188 nan 8.290 nan 0.000 0.453 238 G N 1.323 110.192 108.800 0.116 0.000 2.545 238 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 238 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 238 G C 1.108 176.045 174.900 0.062 0.000 1.218 238 G CA 1.215 46.356 45.100 0.069 0.000 0.787 238 G HN 0.451 nan 8.290 nan 0.000 0.571 239 F N 0.423 120.361 119.950 -0.020 0.000 2.043 239 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 239 F C 2.617 178.381 175.800 -0.059 0.000 1.121 239 F CA 1.385 59.355 58.000 -0.049 0.000 1.199 239 F CB -0.523 38.388 39.000 -0.148 0.000 0.968 239 F HN 0.028 nan 8.300 nan 0.000 0.478 240 L N 0.107 121.394 121.223 0.107 0.000 1.997 240 L HA -0.289 4.051 4.340 -0.000 0.000 0.216 240 L C 2.398 179.293 176.870 0.041 0.000 1.074 240 L CA 2.416 57.273 54.840 0.028 0.000 0.763 240 L CB -1.323 40.734 42.059 -0.002 0.000 0.890 240 L HN 0.236 nan 8.230 nan 0.000 0.434 241 A N -0.246 122.599 122.820 0.042 0.000 1.858 241 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 241 A C 2.512 180.125 177.584 0.048 0.000 1.190 241 A CA 2.188 54.247 52.037 0.037 0.000 0.617 241 A CB -1.081 17.937 19.000 0.029 0.000 0.827 241 A HN 0.613 nan 8.150 nan 0.000 0.443 242 A N -0.730 122.110 122.820 0.034 0.000 1.915 242 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 242 A C 2.326 179.983 177.584 0.122 0.000 1.198 242 A CA 2.814 54.873 52.037 0.036 0.000 0.647 242 A CB -1.583 17.384 19.000 -0.055 0.000 0.825 242 A HN 0.501 nan 8.150 nan 0.000 0.456 243 T N 0.381 115.031 114.554 0.159 0.000 2.674 243 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 243 T C 1.903 176.747 174.700 0.241 0.000 1.039 243 T CA 1.825 64.102 62.100 0.294 0.000 1.150 243 T CB -0.623 68.373 68.868 0.213 0.000 0.864 243 T HN 0.777 nan 8.240 nan 0.000 0.427 244 I N 0.219 120.860 120.570 0.119 0.000 2.394 244 I HA -0.029 4.141 4.170 -0.000 0.000 0.251 244 I C 2.141 178.314 176.117 0.093 0.000 1.136 244 I CA 1.192 62.538 61.300 0.075 0.000 1.425 244 I CB -0.450 37.567 38.000 0.028 0.000 1.079 244 I HN 0.106 nan 8.210 nan 0.000 0.425 245 L N 1.196 122.478 121.223 0.100 0.000 1.976 245 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 245 L C 2.652 179.597 176.870 0.124 0.000 1.071 245 L CA 2.310 57.204 54.840 0.090 0.000 0.746 245 L CB -0.658 41.444 42.059 0.071 0.000 0.890 245 L HN 0.365 nan 8.230 nan 0.000 0.432 246 I N -0.737 119.948 120.570 0.192 0.000 2.194 246 I HA -0.316 3.854 4.170 -0.000 0.000 0.246 246 I C 2.497 178.776 176.117 0.271 0.000 1.093 246 I CA 1.127 62.577 61.300 0.250 0.000 1.355 246 I CB -0.508 37.710 38.000 0.363 0.000 1.046 246 I HN 0.091 nan 8.210 nan 0.000 0.413 247 V N 0.921 121.011 119.914 0.294 0.000 2.287 247 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 247 V C 2.549 178.677 176.094 0.057 0.000 1.053 247 V CA 2.114 64.516 62.300 0.170 0.000 1.027 247 V CB -0.889 30.972 31.823 0.062 0.000 0.646 247 V HN 0.513 nan 8.190 nan 0.000 0.447 248 V N -2.578 117.367 119.914 0.052 0.000 2.379 248 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 248 V C 2.373 178.480 176.094 0.022 0.000 1.044 248 V CA 1.655 63.967 62.300 0.021 0.000 1.036 248 V CB -0.685 31.149 31.823 0.018 0.000 0.664 248 V HN 0.341 nan 8.190 nan 0.000 0.453 249 M N 1.197 120.822 119.600 0.042 0.000 2.082 249 M HA -0.141 4.339 4.480 -0.000 0.000 0.258 249 M C 2.551 178.870 176.300 0.033 0.000 1.069 249 M CA 2.622 57.945 55.300 0.040 0.000 1.102 249 M CB -1.570 31.064 32.600 0.057 0.000 1.336 249 M HN 0.588 nan 8.290 nan 0.000 0.404 250 A N 0.065 122.904 122.820 0.032 0.000 1.877 250 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 250 A C 2.290 179.832 177.584 -0.070 0.000 1.186 250 A CA 1.997 54.021 52.037 -0.022 0.000 0.620 250 A CB -0.739 18.160 19.000 -0.169 0.000 0.822 250 A HN 0.556 nan 8.150 nan 0.000 0.443 251 M N 0.520 120.077 119.600 -0.071 0.000 2.086 251 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 251 M C 2.128 178.413 176.300 -0.025 0.000 1.067 251 M CA 2.492 57.751 55.300 -0.068 0.000 1.116 251 M CB -0.195 32.370 32.600 -0.057 0.000 1.348 251 M HN 0.479 nan 8.290 nan 0.000 0.407 252 S N -1.319 114.376 115.700 -0.008 0.000 2.562 252 S HA 0.008 4.478 4.470 -0.000 0.000 0.221 252 S C 1.812 176.421 174.600 0.014 0.000 0.975 252 S CA 0.926 59.129 58.200 0.005 0.000 0.918 252 S CB -0.335 62.867 63.200 0.005 0.000 0.772 252 S HN 0.578 nan 8.310 nan 0.000 0.531 253 S N 1.311 117.021 115.700 0.018 0.000 2.371 253 S HA 0.278 4.748 4.470 -0.000 0.000 0.221 253 S C 2.216 176.850 174.600 0.057 0.000 1.036 253 S CA 0.749 58.968 58.200 0.030 0.000 0.965 253 S CB -0.763 62.462 63.200 0.041 0.000 0.845 253 S HN 0.766 nan 8.310 nan 0.000 0.475 254 A N 1.950 124.811 122.820 0.068 0.000 2.032 254 A HA -0.160 4.160 4.320 -0.000 0.000 0.221 254 A C 1.876 179.554 177.584 0.158 0.000 1.165 254 A CA 1.823 53.940 52.037 0.133 0.000 0.645 254 A CB -0.668 18.348 19.000 0.027 0.000 0.807 254 A HN 0.533 nan 8.150 nan 0.000 0.453 255 N N -0.880 117.866 118.700 0.077 0.000 2.376 255 N HA -0.051 4.689 4.740 -0.000 0.000 0.177 255 N C 1.977 177.519 175.510 0.052 0.000 1.024 255 N CA 1.213 54.304 53.050 0.069 0.000 0.893 255 N CB -0.031 38.476 38.487 0.034 0.000 0.980 255 N HN 0.529 nan 8.380 nan 0.000 0.439 256 S N 0.292 116.010 115.700 0.030 0.000 2.348 256 S HA -0.031 4.439 4.470 -0.000 0.000 0.219 256 S C 0.931 175.507 174.600 -0.039 0.000 1.033 256 S CA 0.570 58.769 58.200 -0.002 0.000 0.974 256 S CB 0.101 63.296 63.200 -0.008 0.000 0.868 256 S HN 0.171 nan 8.310 nan 0.000 0.459 257 K N -0.120 120.237 120.400 -0.072 0.000 2.326 257 K HA 0.111 4.431 4.320 -0.000 0.000 0.275 257 K C -0.982 175.495 176.600 -0.206 0.000 1.018 257 K CA -0.126 56.003 56.287 -0.263 0.000 0.962 257 K CB -0.011 32.283 32.500 -0.343 0.000 0.953 257 K HN 0.438 nan 8.250 nan 0.000 0.475 258 Y N 0.852 121.167 120.300 0.024 0.000 3.380 258 Y HA -0.172 4.378 4.550 -0.000 0.000 0.211 258 Y C -1.872 174.038 175.900 0.017 0.000 1.394 258 Y CA 0.196 58.313 58.100 0.029 0.000 1.479 258 Y CB -1.975 36.506 38.460 0.035 0.000 1.483 258 Y HN 0.726 nan 8.280 nan 0.000 0.566 259 P HA 0.028 nan 4.420 nan 0.000 0.225 259 P C 0.399 177.737 177.300 0.063 0.000 1.156 259 P CA 1.035 64.171 63.100 0.060 0.000 0.787 259 P CB 0.559 32.273 31.700 0.023 0.000 0.802 260 I N 1.008 121.622 120.570 0.075 0.000 2.312 260 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 260 I C 0.429 176.594 176.117 0.080 0.000 1.008 260 I CA 0.069 61.407 61.300 0.062 0.000 1.226 260 I CB 1.365 39.394 38.000 0.048 0.000 1.371 260 I HN -0.112 nan 8.210 nan 0.000 0.468 261 T N 5.750 120.339 114.554 0.058 0.000 2.982 261 T HA 0.806 5.156 4.350 -0.000 0.000 0.321 261 T C -0.697 174.019 174.700 0.027 0.000 1.229 261 T CA -0.741 61.389 62.100 0.049 0.000 1.044 261 T CB 1.114 70.011 68.868 0.048 0.000 1.184 261 T HN 0.379 nan 8.240 nan 0.000 0.477 262 I N 0.714 121.296 120.570 0.020 0.000 2.797 262 I HA 0.839 5.009 4.170 -0.000 0.000 0.307 262 I C -2.182 173.937 176.117 0.004 0.000 1.033 262 I CA -2.571 58.735 61.300 0.011 0.000 1.071 262 I CB 1.135 39.142 38.000 0.010 0.000 1.255 262 I HN 0.505 nan 8.210 nan 0.000 0.445 263 P HA 0.280 nan 4.420 nan 0.000 0.272 263 P C -0.557 176.740 177.300 -0.004 0.000 1.230 263 P CA -0.474 62.624 63.100 -0.004 0.000 0.788 263 P CB 0.660 32.357 31.700 -0.005 0.000 0.949 264 L N 1.532 122.750 121.223 -0.008 0.000 2.640 264 L HA -0.060 4.280 4.340 -0.000 0.000 0.280 264 L C 1.108 177.973 176.870 -0.008 0.000 1.229 264 L CA 0.254 55.088 54.840 -0.009 0.000 0.919 264 L CB -0.375 41.675 42.059 -0.015 0.000 1.168 264 L HN 0.288 nan 8.230 nan 0.000 0.496 265 Q N 3.366 123.163 119.800 -0.005 0.000 2.288 265 Q HA 0.625 4.965 4.340 -0.000 0.000 0.258 265 Q C -0.181 175.816 176.000 -0.005 0.000 0.957 265 Q CA -0.019 55.782 55.803 -0.002 0.000 0.919 265 Q CB 1.754 30.493 28.738 0.002 0.000 1.185 265 Q HN 0.738 nan 8.270 nan 0.000 0.408 266 A N 0.946 123.763 122.820 -0.005 0.000 2.599 266 A HA 0.921 5.241 4.320 -0.000 0.000 0.290 266 A C -0.599 176.983 177.584 -0.003 0.000 1.101 266 A CA -0.114 51.919 52.037 -0.007 0.000 0.674 266 A CB 1.851 20.841 19.000 -0.018 0.000 1.277 266 A HN 0.878 nan 8.150 nan 0.000 0.419 267 G N -0.539 108.260 108.800 -0.001 0.000 2.627 267 G HA2 0.467 4.427 3.960 -0.000 0.000 0.680 267 G HA3 0.467 4.427 3.960 -0.000 0.000 0.680 267 G C -0.554 174.351 174.900 0.009 0.000 1.341 267 G CA -0.252 44.848 45.100 0.001 0.000 0.835 267 G HN 1.210 nan 8.290 nan 0.000 0.643 268 T N 3.062 117.621 114.554 0.008 0.000 2.834 268 T HA 0.387 4.737 4.350 -0.000 0.000 0.298 268 T C 1.205 175.911 174.700 0.010 0.000 0.966 268 T CA 0.276 62.384 62.100 0.013 0.000 1.141 268 T CB 0.638 69.511 68.868 0.007 0.000 0.905 268 T HN 0.519 nan 8.240 nan 0.000 0.535 269 M N 3.756 123.364 119.600 0.013 0.000 2.246 269 M HA 0.190 4.670 4.480 -0.000 0.000 0.350 269 M C 0.742 177.042 176.300 -0.000 0.000 1.406 269 M CA 0.377 55.681 55.300 0.008 0.000 1.089 269 M CB 0.344 32.949 32.600 0.008 0.000 1.782 269 M HN 0.507 nan 8.290 nan 0.000 0.457 270 R N 1.257 121.758 120.500 0.001 0.000 2.730 270 R HA 0.640 4.980 4.340 -0.000 0.000 0.228 270 R C 0.549 176.853 176.300 0.006 0.000 1.312 270 R CA 0.419 56.518 56.100 -0.001 0.000 1.093 270 R CB 0.958 31.258 30.300 -0.001 0.000 1.583 270 R HN 0.850 nan 8.270 nan 0.000 0.535 271 G N 1.366 110.174 108.800 0.012 0.000 2.273 271 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.280 271 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.280 271 G C -0.144 174.778 174.900 0.037 0.000 1.047 271 G CA 0.064 45.178 45.100 0.023 0.000 0.869 271 G HN 0.184 nan 8.290 nan 0.000 0.502 272 M N -0.379 119.246 119.600 0.040 0.000 2.227 272 M HA 0.211 4.691 4.480 -0.000 0.000 0.349 272 M C 0.800 177.193 176.300 0.155 0.000 1.443 272 M CA -0.103 55.231 55.300 0.057 0.000 1.110 272 M CB 0.784 33.352 32.600 -0.053 0.000 1.773 272 M HN 0.205 nan 8.290 nan 0.000 0.463 273 K N 5.942 126.424 120.400 0.136 0.000 2.363 273 K HA 0.221 4.541 4.320 -0.000 0.000 0.289 273 K C -2.334 174.383 176.600 0.195 0.000 1.063 273 K CA -0.878 55.487 56.287 0.130 0.000 0.967 273 K CB 0.259 32.805 32.500 0.077 0.000 0.987 273 K HN 0.283 nan 8.250 nan 0.000 0.473 274 P HA 0.165 nan 4.420 nan 0.000 0.279 274 P C -1.116 176.106 177.300 -0.129 0.000 1.276 274 P CA -0.779 62.226 63.100 -0.158 0.000 0.801 274 P CB 0.590 32.085 31.700 -0.342 0.000 1.127 275 L N 0.850 121.943 121.223 -0.216 0.000 2.292 275 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 275 L C 0.480 177.284 176.870 -0.110 0.000 1.065 275 L CA -0.189 54.576 54.840 -0.124 0.000 0.806 275 L CB 0.452 42.437 42.059 -0.124 0.000 1.175 275 L HN 0.273 nan 8.230 nan 0.000 0.431 276 E N 4.043 124.200 120.200 -0.071 0.000 2.028 276 E HA 0.198 4.548 4.350 -0.000 0.000 0.275 276 E C -0.683 175.886 176.600 -0.051 0.000 1.171 276 E CA -0.202 56.162 56.400 -0.060 0.000 1.186 276 E CB -0.328 29.346 29.700 -0.045 0.000 1.256 276 E HN 0.351 nan 8.360 nan 0.000 0.474 277 L N 3.436 124.626 121.223 -0.054 0.000 2.483 277 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 277 L C -1.500 175.343 176.870 -0.044 0.000 1.220 277 L CA -0.809 54.006 54.840 -0.042 0.000 0.833 277 L CB -0.294 41.740 42.059 -0.041 0.000 1.102 277 L HN 0.440 nan 8.230 nan 0.000 0.490 278 P HA 0.389 nan 4.420 nan 0.000 0.287 278 P C -1.102 176.167 177.300 -0.052 0.000 1.279 278 P CA -0.706 62.368 63.100 -0.043 0.000 0.867 278 P CB 1.419 33.097 31.700 -0.036 0.000 1.127 279 A N 3.380 126.168 122.820 -0.054 0.000 2.540 279 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 279 A C -1.692 175.849 177.584 -0.072 0.000 1.061 279 A CA -0.590 51.408 52.037 -0.064 0.000 0.758 279 A CB -1.411 17.550 19.000 -0.065 0.000 0.991 279 A HN 0.478 nan 8.150 nan 0.000 0.502 280 P HA 0.287 nan 4.420 nan 0.000 0.274 280 P C 0.384 177.627 177.300 -0.096 0.000 1.246 280 P CA -0.170 62.872 63.100 -0.096 0.000 0.795 280 P CB 0.909 32.539 31.700 -0.116 0.000 1.006 281 T N -0.851 113.641 114.554 -0.103 0.000 2.990 281 T HA 0.149 4.499 4.350 -0.000 0.000 0.249 281 T C 0.564 175.204 174.700 -0.101 0.000 1.039 281 T CA 0.169 62.221 62.100 -0.079 0.000 1.036 281 T CB 0.097 68.932 68.868 -0.056 0.000 0.994 281 T HN 0.088 nan 8.240 nan 0.000 0.489 282 V N 2.866 122.655 119.914 -0.209 0.000 2.567 282 V HA 0.599 4.719 4.120 -0.000 0.000 0.289 282 V C 0.015 175.968 176.094 -0.235 0.000 1.049 282 V CA -0.790 61.314 62.300 -0.327 0.000 0.969 282 V CB 1.561 32.920 31.823 -0.775 0.000 0.995 282 V HN 0.449 nan 8.190 nan 0.000 0.471 283 S N 3.519 119.117 115.700 -0.169 0.000 2.500 283 S HA 0.841 5.311 4.470 -0.000 0.000 0.301 283 S C -0.798 173.746 174.600 -0.093 0.000 1.092 283 S CA -0.628 57.509 58.200 -0.106 0.000 1.030 283 S CB 1.777 64.948 63.200 -0.048 0.000 1.031 283 S HN 1.260 nan 8.310 nan 0.000 0.483 284 V N 0.554 120.438 119.914 -0.051 0.000 2.914 284 V HA 0.840 4.960 4.120 -0.000 0.000 0.314 284 V C -1.252 174.843 176.094 0.002 0.000 1.084 284 V CA -0.753 61.541 62.300 -0.011 0.000 0.963 284 V CB 2.028 33.881 31.823 0.051 0.000 1.025 284 V HN 1.053 nan 8.190 nan 0.000 0.432 285 K N 3.441 123.846 120.400 0.008 0.000 2.471 285 K HA 0.565 4.885 4.320 -0.000 0.000 0.252 285 K C -1.747 174.863 176.600 0.016 0.000 0.938 285 K CA -0.458 55.835 56.287 0.009 0.000 0.796 285 K CB 1.868 34.371 32.500 0.005 0.000 1.161 285 K HN 1.041 nan 8.250 nan 0.000 0.425 286 V N 5.639 125.568 119.914 0.024 0.000 2.313 286 V HA 0.416 4.536 4.120 -0.000 0.000 0.278 286 V C -0.566 175.553 176.094 0.042 0.000 1.017 286 V CA -0.397 61.927 62.300 0.039 0.000 0.823 286 V CB 1.099 32.967 31.823 0.076 0.000 1.010 286 V HN 0.792 nan 8.190 nan 0.000 0.443 287 E N 4.181 124.399 120.200 0.030 0.000 2.202 287 E HA 0.419 4.769 4.350 -0.000 0.000 0.272 287 E C -0.613 176.004 176.600 0.030 0.000 0.951 287 E CA -0.578 55.840 56.400 0.031 0.000 0.813 287 E CB 1.325 31.036 29.700 0.019 0.000 1.151 287 E HN 0.701 nan 8.360 nan 0.000 0.398 288 D N 0.184 120.606 120.400 0.037 0.000 8.353 288 D HA -0.095 4.545 4.640 -0.000 0.000 0.247 288 D C -1.143 175.186 176.300 0.049 0.000 2.195 288 D CA 1.734 55.756 54.000 0.038 0.000 1.953 288 D CB -0.086 40.720 40.800 0.010 0.000 0.942 288 D HN 0.765 nan 8.370 nan 0.000 0.667 289 A N 1.125 123.987 122.820 0.070 0.000 2.437 289 A HA 0.733 5.053 4.320 -0.000 0.000 0.293 289 A C -0.088 177.518 177.584 0.037 0.000 1.038 289 A CA 0.089 52.150 52.037 0.040 0.000 0.708 289 A CB 1.923 21.027 19.000 0.173 0.000 1.251 289 A HN 0.688 nan 8.150 nan 0.000 0.409 290 T N -0.706 113.834 114.554 -0.024 0.000 2.896 290 T HA 0.827 5.177 4.350 -0.000 0.000 0.297 290 T C -0.885 173.835 174.700 0.033 0.000 1.108 290 T CA -0.578 61.521 62.100 -0.002 0.000 1.004 290 T CB 1.473 70.284 68.868 -0.094 0.000 1.159 290 T HN 1.597 nan 8.240 nan 0.000 0.499 291 Y N -0.747 119.442 120.300 -0.183 0.000 2.492 291 Y HA 0.829 5.379 4.550 -0.000 0.000 0.346 291 Y C -0.528 175.254 175.900 -0.196 0.000 0.997 291 Y CA -1.717 56.241 58.100 -0.238 0.000 1.025 291 Y CB 1.111 39.468 38.460 -0.170 0.000 1.263 291 Y HN 0.559 nan 8.280 nan 0.000 0.454 292 R N 1.775 122.149 120.500 -0.211 0.000 2.490 292 R HA 0.549 4.889 4.340 -0.000 0.000 0.280 292 R C -1.268 174.974 176.300 -0.096 0.000 1.077 292 R CA -0.756 55.221 56.100 -0.206 0.000 1.065 292 R CB 1.480 31.712 30.300 -0.112 0.000 1.003 292 R HN 0.698 nan 8.270 nan 0.000 0.470 293 V N 6.228 126.064 119.914 -0.130 0.000 2.407 293 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 293 V C -1.911 174.263 176.094 0.134 0.000 1.018 293 V CA -1.587 60.756 62.300 0.071 0.000 0.842 293 V CB 1.750 33.636 31.823 0.105 0.000 0.996 293 V HN 0.696 nan 8.190 nan 0.000 0.426 294 P HA 0.825 nan 4.420 nan 0.000 0.278 294 P C 0.017 177.429 177.300 0.187 0.000 1.258 294 P CA -0.132 63.079 63.100 0.186 0.000 0.811 294 P CB 1.720 33.515 31.700 0.158 0.000 1.063 295 G N -0.475 108.502 108.800 0.295 0.000 2.428 295 G HA2 0.398 4.357 3.960 -0.000 0.000 0.305 295 G HA3 0.398 4.357 3.960 -0.000 0.000 0.305 295 G C -0.715 174.430 174.900 0.409 0.000 1.260 295 G CA -0.633 44.613 45.100 0.244 0.000 0.853 295 G HN 0.372 nan 8.290 nan 0.000 0.480 296 R N -0.930 119.691 120.500 0.201 0.000 2.519 296 R HA 0.554 4.894 4.340 -0.000 0.000 0.375 296 R C -0.031 176.199 176.300 -0.116 0.000 0.926 296 R CA 0.576 56.860 56.100 0.307 0.000 1.166 296 R CB 1.333 31.773 30.300 0.233 0.000 1.626 296 R HN 0.831 nan 8.270 nan 0.000 0.529 297 A N 1.156 123.628 122.820 -0.580 0.000 2.486 297 A HA 0.585 4.905 4.320 -0.000 0.000 0.300 297 A C -1.122 175.921 177.584 -0.902 0.000 1.048 297 A CA -0.623 51.007 52.037 -0.679 0.000 0.696 297 A CB 1.621 20.424 19.000 -0.329 0.000 1.278 297 A HN 0.175 nan 8.150 nan 0.000 0.405 298 M N 2.473 121.541 119.600 -0.887 0.000 2.300 298 M HA 0.714 5.194 4.480 -0.000 0.000 0.348 298 M C -0.785 175.259 176.300 -0.427 0.000 1.151 298 M CA -0.345 54.596 55.300 -0.599 0.000 1.046 298 M CB 1.117 33.361 32.600 -0.594 0.000 1.647 298 M HN 0.751 nan 8.290 nan 0.000 0.451 299 R N 5.608 125.921 120.500 -0.311 0.000 2.740 299 R HA 0.803 5.143 4.340 -0.000 0.000 0.282 299 R C -1.095 175.063 176.300 -0.236 0.000 0.969 299 R CA -0.767 55.178 56.100 -0.258 0.000 0.918 299 R CB 1.845 32.033 30.300 -0.187 0.000 1.175 299 R HN 0.824 nan 8.270 nan 0.000 0.464 300 M N -0.130 119.333 119.600 -0.228 0.000 2.550 300 M HA 0.499 4.979 4.480 -0.000 0.000 0.292 300 M C -1.093 175.140 176.300 -0.112 0.000 1.221 300 M CA -0.997 54.206 55.300 -0.161 0.000 0.873 300 M CB 2.714 35.198 32.600 -0.194 0.000 1.727 300 M HN 0.415 nan 8.290 nan 0.000 0.459 301 K N 3.452 123.816 120.400 -0.060 0.000 2.299 301 K HA 0.594 4.914 4.320 -0.000 0.000 0.268 301 K C -1.716 174.869 176.600 -0.024 0.000 1.075 301 K CA -0.354 55.907 56.287 -0.042 0.000 0.936 301 K CB 0.539 33.022 32.500 -0.028 0.000 1.228 301 K HN 0.802 nan 8.250 nan 0.000 0.454 302 L N 2.928 124.135 121.223 -0.026 0.000 2.322 302 L HA 0.372 4.712 4.340 -0.000 0.000 0.279 302 L C 0.120 176.993 176.870 0.006 0.000 1.036 302 L CA -0.917 53.921 54.840 -0.003 0.000 0.807 302 L CB 1.735 43.796 42.059 0.004 0.000 1.226 302 L HN 0.442 nan 8.230 nan 0.000 0.433 303 T N 3.500 118.059 114.554 0.008 0.000 2.891 303 T HA 0.476 4.826 4.350 -0.000 0.000 0.315 303 T C 0.092 174.794 174.700 0.003 0.000 1.054 303 T CA -0.268 61.835 62.100 0.004 0.000 0.958 303 T CB -0.144 68.723 68.868 -0.002 0.000 1.008 303 T HN 0.198 nan 8.240 nan 0.000 0.521 304 I N 3.081 123.658 120.570 0.012 0.000 2.519 304 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 304 I C 0.881 176.964 176.117 -0.057 0.000 1.047 304 I CA 0.158 61.449 61.300 -0.015 0.000 1.381 304 I CB 1.231 39.259 38.000 0.046 0.000 1.417 304 I HN 0.492 nan 8.210 nan 0.000 0.540 305 T N 5.149 119.640 114.554 -0.105 0.000 3.109 305 T HA 0.258 4.608 4.350 -0.000 0.000 0.311 305 T C -0.843 173.774 174.700 -0.139 0.000 1.011 305 T CA -0.871 61.168 62.100 -0.101 0.000 1.026 305 T CB 0.574 69.405 68.868 -0.063 0.000 1.047 305 T HN 0.698 nan 8.240 nan 0.000 0.448 306 N N 4.235 122.839 118.700 -0.159 0.000 2.678 306 N HA 0.178 4.918 4.740 -0.000 0.000 0.231 306 N C -0.398 175.015 175.510 -0.163 0.000 1.038 306 N CA -0.398 52.556 53.050 -0.161 0.000 0.932 306 N CB 0.291 38.698 38.487 -0.134 0.000 1.176 306 N HN 0.657 nan 8.380 nan 0.000 0.511 307 H N 1.448 120.454 119.070 -0.106 0.000 2.671 307 H HA 0.286 4.842 4.556 -0.000 0.000 0.372 307 H C 0.645 175.928 175.328 -0.074 0.000 1.227 307 H CA 1.486 57.486 56.048 -0.079 0.000 1.426 307 H CB 0.968 30.683 29.762 -0.078 0.000 1.480 307 H HN 0.748 nan 8.280 nan 0.000 0.611 308 G N 1.944 110.794 108.800 0.083 0.000 3.379 308 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.653 308 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.653 308 G C -0.463 174.436 174.900 -0.002 0.000 0.872 308 G CA -0.129 44.988 45.100 0.028 0.000 0.754 308 G HN 0.962 nan 8.290 nan 0.000 0.467 309 N N 0.702 119.402 118.700 0.000 0.000 2.406 309 N HA 0.411 5.151 4.740 -0.000 0.000 0.269 309 N C -0.069 175.443 175.510 0.003 0.000 1.210 309 N CA 0.204 53.253 53.050 -0.003 0.000 0.966 309 N CB 1.104 39.591 38.487 -0.000 0.000 1.293 309 N HN 0.825 nan 8.380 nan 0.000 0.491 310 S N 2.139 117.841 115.700 0.003 0.000 2.697 310 S HA 0.164 4.634 4.470 -0.000 0.000 0.313 310 S C -3.067 171.545 174.600 0.021 0.000 0.954 310 S CA -0.934 57.276 58.200 0.016 0.000 0.831 310 S CB 0.989 64.206 63.200 0.027 0.000 1.030 310 S HN 0.289 nan 8.310 nan 0.000 0.466 311 P HA 0.354 nan 4.420 nan 0.000 0.267 311 P C -0.810 176.530 177.300 0.066 0.000 1.209 311 P CA -0.030 63.092 63.100 0.036 0.000 0.763 311 P CB 0.186 31.909 31.700 0.038 0.000 0.816 312 I N 4.124 124.738 120.570 0.073 0.000 2.607 312 I HA 0.416 4.586 4.170 -0.000 0.000 0.305 312 I C 0.646 176.883 176.117 0.200 0.000 0.995 312 I CA -0.442 60.937 61.300 0.131 0.000 1.148 312 I CB 1.214 39.252 38.000 0.063 0.000 1.323 312 I HN 0.203 nan 8.210 nan 0.000 0.461 313 R N 4.682 125.357 120.500 0.291 0.000 2.837 313 R HA 0.549 4.889 4.340 -0.000 0.000 0.271 313 R C -1.513 174.983 176.300 0.326 0.000 0.993 313 R CA -1.086 55.187 56.100 0.287 0.000 0.931 313 R CB 1.902 32.317 30.300 0.192 0.000 1.206 313 R HN 0.445 nan 8.270 nan 0.000 0.474 314 L N 1.505 122.828 121.223 0.167 0.000 2.276 314 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 314 L C 0.575 177.464 176.870 0.032 0.000 1.061 314 L CA 0.448 55.215 54.840 -0.122 0.000 0.807 314 L CB 1.393 43.344 42.059 -0.180 0.000 1.177 314 L HN 0.988 nan 8.230 nan 0.000 0.429 315 G N 3.779 112.649 108.800 0.117 0.000 2.833 315 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 315 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 315 G C 0.112 175.158 174.900 0.242 0.000 1.075 315 G CA 0.032 45.263 45.100 0.218 0.000 0.799 315 G HN 0.609 nan 8.290 nan 0.000 0.541 316 E N -0.930 119.422 120.200 0.253 0.000 2.431 316 E HA 0.387 4.737 4.350 -0.000 0.000 0.287 316 E C -2.284 174.587 176.600 0.452 0.000 1.032 316 E CA -0.826 55.779 56.400 0.342 0.000 0.839 316 E CB 1.702 31.587 29.700 0.309 0.000 1.218 316 E HN -0.092 nan 8.360 nan 0.000 0.424 317 F N 5.023 125.141 119.950 0.281 0.000 2.477 317 F HA 0.490 5.017 4.527 -0.000 0.000 0.335 317 F C -1.952 174.099 175.800 0.418 0.000 1.130 317 F CA -0.893 57.272 58.000 0.274 0.000 0.948 317 F CB 0.956 40.038 39.000 0.137 0.000 1.154 317 F HN 0.455 nan 8.300 nan 0.000 0.439 318 Y N 5.204 125.530 120.300 0.043 0.000 2.341 318 Y HA 0.481 5.031 4.550 -0.000 0.000 0.337 318 Y C 0.300 175.981 175.900 -0.365 0.000 1.014 318 Y CA 0.003 58.067 58.100 -0.060 0.000 1.111 318 Y CB 2.014 40.580 38.460 0.177 0.000 1.194 318 Y HN 0.773 nan 8.280 nan 0.000 0.462 319 T N 2.962 116.982 114.554 -0.890 0.000 3.272 319 T HA 0.453 4.803 4.350 -0.000 0.000 0.247 319 T C -0.330 174.086 174.700 -0.473 0.000 0.990 319 T CA 0.586 62.320 62.100 -0.610 0.000 1.213 319 T CB -0.176 68.376 68.868 -0.527 0.000 1.124 319 T HN 0.728 nan 8.240 nan 0.000 0.401 320 A N 0.282 122.831 122.820 -0.452 0.000 3.216 320 A HA 0.691 5.011 4.320 -0.000 0.000 0.321 320 A C 0.738 178.190 177.584 -0.220 0.000 1.042 320 A CA 0.455 52.370 52.037 -0.204 0.000 0.838 320 A CB -0.103 18.876 19.000 -0.035 0.000 1.136 320 A HN 0.531 nan 8.150 nan 0.000 0.483 321 S N -1.553 113.956 115.700 -0.318 0.000 2.061 321 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 321 S C 0.537 175.095 174.600 -0.070 0.000 1.096 321 S CA 1.393 59.624 58.200 0.051 0.000 1.537 321 S CB -1.922 61.299 63.200 0.034 0.000 1.961 321 S HN 2.017 nan 8.310 nan 0.000 0.571 322 V N 3.568 123.271 119.914 -0.353 0.000 2.498 322 V HA 0.593 4.713 4.120 -0.000 0.000 0.279 322 V C 0.093 175.908 176.094 -0.465 0.000 1.048 322 V CA -0.325 61.754 62.300 -0.368 0.000 0.967 322 V CB 1.139 32.724 31.823 -0.397 0.000 0.988 322 V HN 0.351 nan 8.190 nan 0.000 0.473 323 R N 6.075 126.332 120.500 -0.405 0.000 2.360 323 R HA 0.473 4.813 4.340 -0.000 0.000 0.318 323 R C -1.555 174.570 176.300 -0.292 0.000 0.950 323 R CA -0.244 55.698 56.100 -0.263 0.000 0.837 323 R CB 1.547 31.651 30.300 -0.327 0.000 1.165 323 R HN 0.704 nan 8.270 nan 0.000 0.458 324 F N 3.828 123.788 119.950 0.017 0.000 2.404 324 F HA 0.342 4.869 4.527 -0.000 0.000 0.354 324 F C -0.151 175.715 175.800 0.109 0.000 1.122 324 F CA -0.840 57.205 58.000 0.075 0.000 1.080 324 F CB 0.959 40.037 39.000 0.129 0.000 1.131 324 F HN 0.127 nan 8.300 nan 0.000 0.471 325 L N 3.127 124.489 121.223 0.231 0.000 2.334 325 L HA 0.350 4.690 4.340 -0.000 0.000 0.276 325 L C -0.283 176.671 176.870 0.140 0.000 1.014 325 L CA -0.630 54.317 54.840 0.179 0.000 0.815 325 L CB 1.314 43.439 42.059 0.110 0.000 1.268 325 L HN 0.406 nan 8.230 nan 0.000 0.428 326 D N 0.497 120.969 120.400 0.120 0.000 2.365 326 D HA 0.060 4.700 4.640 -0.000 0.000 0.237 326 D C 0.944 177.269 176.300 0.042 0.000 1.190 326 D CA 0.093 54.137 54.000 0.074 0.000 0.867 326 D CB 1.157 41.995 40.800 0.065 0.000 1.050 326 D HN 0.571 nan 8.370 nan 0.000 0.491 327 S N 2.229 117.941 115.700 0.020 0.000 2.603 327 S HA -0.074 4.395 4.470 -0.000 0.000 0.229 327 S C 0.912 175.499 174.600 -0.021 0.000 0.972 327 S CA 0.258 58.448 58.200 -0.017 0.000 0.935 327 S CB 0.186 63.374 63.200 -0.019 0.000 0.769 327 S HN 0.435 nan 8.310 nan 0.000 0.536 328 D N 1.170 121.570 120.400 -0.000 0.000 2.305 328 D HA 0.038 4.678 4.640 -0.000 0.000 0.206 328 D C 1.981 178.280 176.300 -0.001 0.000 0.974 328 D CA 1.082 55.082 54.000 -0.000 0.000 0.871 328 D CB 0.670 41.477 40.800 0.012 0.000 0.947 328 D HN 0.544 nan 8.370 nan 0.000 0.516 329 V N -2.018 117.897 119.914 0.002 0.000 2.908 329 V HA 0.201 4.321 4.120 -0.000 0.000 0.240 329 V C 0.037 176.084 176.094 -0.078 0.000 1.117 329 V CA 0.243 62.538 62.300 -0.007 0.000 1.133 329 V CB 0.331 32.181 31.823 0.046 0.000 0.857 329 V HN -0.013 nan 8.190 nan 0.000 0.478 330 Y N 1.223 121.373 120.300 -0.249 0.000 2.477 330 Y HA 0.732 5.282 4.550 -0.000 0.000 0.347 330 Y C -0.687 175.095 175.900 -0.197 0.000 0.981 330 Y CA -1.334 56.542 58.100 -0.372 0.000 1.033 330 Y CB 1.741 39.790 38.460 -0.685 0.000 1.245 330 Y HN 0.035 nan 8.280 nan 0.000 0.455 331 K N 4.562 124.381 120.400 -0.969 0.000 2.507 331 K HA 0.195 4.515 4.320 -0.000 0.000 0.252 331 K C -1.717 174.308 176.600 -0.957 0.000 0.943 331 K CA -0.584 55.297 56.287 -0.676 0.000 0.808 331 K CB 1.432 33.713 32.500 -0.365 0.000 1.142 331 K HN 0.953 nan 8.250 nan 0.000 0.426 332 D N 1.234 121.262 120.400 -0.619 0.000 2.414 332 D HA 0.009 4.649 4.640 -0.000 0.000 0.242 332 D C 0.939 177.131 176.300 -0.179 0.000 1.129 332 D CA 0.515 54.303 54.000 -0.354 0.000 0.885 332 D CB 1.002 41.738 40.800 -0.105 0.000 1.198 332 D HN 0.580 nan 8.370 nan 0.000 0.437 333 T N -1.738 112.776 114.554 -0.066 0.000 3.004 333 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 333 T C 1.649 176.400 174.700 0.086 0.000 0.986 333 T CA 0.314 62.416 62.100 0.003 0.000 0.902 333 T CB -0.358 68.507 68.868 -0.006 0.000 1.118 333 T HN 0.419 nan 8.240 nan 0.000 0.522 334 T N 0.324 114.966 114.554 0.146 0.000 3.118 334 T HA 0.199 4.549 4.350 -0.000 0.000 0.269 334 T C 1.927 176.809 174.700 0.303 0.000 1.166 334 T CA 1.069 63.310 62.100 0.234 0.000 1.073 334 T CB -1.395 67.652 68.868 0.298 0.000 0.884 334 T HN 1.305 nan 8.240 nan 0.000 0.550 335 G N 0.218 109.147 108.800 0.214 0.000 2.198 335 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 335 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 335 G C -0.101 174.894 174.900 0.159 0.000 1.025 335 G CA 0.131 45.327 45.100 0.160 0.000 0.769 335 G HN 0.808 nan 8.290 nan 0.000 0.507 336 Y N 0.745 121.128 120.300 0.138 0.000 2.890 336 Y HA 0.288 4.838 4.550 -0.000 0.000 0.341 336 Y C -1.267 174.622 175.900 -0.019 0.000 1.269 336 Y CA -0.243 57.940 58.100 0.138 0.000 1.517 336 Y CB 0.496 39.051 38.460 0.159 0.000 1.314 336 Y HN 0.186 nan 8.280 nan 0.000 0.622 337 P HA -0.099 nan 4.420 nan 0.000 0.261 337 P C 0.047 177.353 177.300 0.009 0.000 1.173 337 P CA 0.433 63.378 63.100 -0.259 0.000 0.760 337 P CB 0.750 32.214 31.700 -0.394 0.000 0.783 338 E N 3.235 123.466 120.200 0.051 0.000 2.051 338 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 338 E C 1.213 177.870 176.600 0.095 0.000 0.991 338 E CA 1.701 58.148 56.400 0.078 0.000 0.799 338 E CB -0.588 29.146 29.700 0.056 0.000 0.748 338 E HN 0.509 nan 8.360 nan 0.000 0.449 339 D N -0.477 119.997 120.400 0.124 0.000 2.392 339 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 339 D C 1.457 177.823 176.300 0.109 0.000 1.003 339 D CA 0.520 54.614 54.000 0.157 0.000 0.917 339 D CB -0.121 40.835 40.800 0.260 0.000 0.890 339 D HN 0.337 nan 8.370 nan 0.000 0.532 340 L N -0.987 120.269 121.223 0.056 0.000 2.781 340 L HA 0.245 4.584 4.340 -0.000 0.000 0.245 340 L C 0.210 177.114 176.870 0.057 0.000 1.118 340 L CA -0.400 54.432 54.840 -0.012 0.000 0.918 340 L CB 0.735 42.788 42.059 -0.010 0.000 1.246 340 L HN -0.021 nan 8.230 nan 0.000 0.526 341 L N 1.522 122.819 121.223 0.124 0.000 2.255 341 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 341 L C 0.370 177.220 176.870 -0.033 0.000 1.046 341 L CA -0.199 54.672 54.840 0.051 0.000 0.816 341 L CB 1.112 43.258 42.059 0.144 0.000 1.197 341 L HN -0.024 nan 8.230 nan 0.000 0.427 342 A N 4.078 126.824 122.820 -0.123 0.000 2.621 342 A HA 0.352 4.672 4.320 -0.000 0.000 0.329 342 A C 1.021 178.613 177.584 0.012 0.000 1.458 342 A CA -0.419 51.583 52.037 -0.058 0.000 1.052 342 A CB -0.246 18.688 19.000 -0.109 0.000 1.142 342 A HN 0.908 nan 8.150 nan 0.000 0.523 343 E N 1.059 121.268 120.200 0.015 0.000 2.097 343 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 343 E C 0.423 177.039 176.600 0.026 0.000 1.000 343 E CA 1.922 58.327 56.400 0.008 0.000 0.804 343 E CB 0.130 29.829 29.700 -0.001 0.000 0.740 343 E HN 0.722 nan 8.360 nan 0.000 0.454 344 D N -1.643 118.786 120.400 0.049 0.000 2.804 344 D HA 0.178 4.818 4.640 -0.000 0.000 0.308 344 D C 1.012 177.374 176.300 0.104 0.000 1.371 344 D CA 0.115 54.152 54.000 0.063 0.000 0.823 344 D CB 0.209 41.033 40.800 0.040 0.000 1.126 344 D HN 0.115 nan 8.370 nan 0.000 0.467 345 G N 0.099 108.996 108.800 0.163 0.000 2.484 345 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 345 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 345 G C 0.625 175.679 174.900 0.255 0.000 1.130 345 G CA 0.100 45.365 45.100 0.275 0.000 0.784 345 G HN 0.333 nan 8.290 nan 0.000 0.543 346 L N 2.448 123.797 121.223 0.209 0.000 2.265 346 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 346 L C -0.607 176.299 176.870 0.060 0.000 1.033 346 L CA -0.257 54.664 54.840 0.135 0.000 0.814 346 L CB 1.378 43.559 42.059 0.203 0.000 1.203 346 L HN 0.142 nan 8.230 nan 0.000 0.423 347 S N 4.338 120.041 115.700 0.005 0.000 2.502 347 S HA 0.582 5.052 4.470 -0.000 0.000 0.304 347 S C -0.599 173.983 174.600 -0.030 0.000 1.097 347 S CA -0.751 57.446 58.200 -0.006 0.000 1.045 347 S CB 2.045 65.241 63.200 -0.007 0.000 1.019 347 S HN 0.483 nan 8.310 nan 0.000 0.481 348 V N 2.720 122.625 119.914 -0.015 0.000 2.495 348 V HA 0.548 4.668 4.120 -0.000 0.000 0.298 348 V C 1.183 177.270 176.094 -0.012 0.000 1.031 348 V CA 0.111 62.399 62.300 -0.019 0.000 0.871 348 V CB 1.251 33.072 31.823 -0.003 0.000 0.988 348 V HN 1.269 nan 8.190 nan 0.000 0.432 349 S N 3.434 119.122 115.700 -0.020 0.000 2.378 349 S HA -0.219 4.251 4.470 -0.000 0.000 0.229 349 S C 0.768 175.366 174.600 -0.003 0.000 1.052 349 S CA 1.830 60.022 58.200 -0.014 0.000 1.084 349 S CB -0.397 62.791 63.200 -0.019 0.000 0.950 349 S HN 1.009 nan 8.310 nan 0.000 0.440 350 D N 0.759 121.162 120.400 0.005 0.000 2.440 350 D HA 0.324 4.964 4.640 -0.000 0.000 0.252 350 D C -1.314 175.003 176.300 0.028 0.000 1.180 350 D CA -0.363 53.645 54.000 0.014 0.000 0.894 350 D CB 0.260 41.068 40.800 0.012 0.000 1.111 350 D HN 0.413 nan 8.370 nan 0.000 0.544 351 N N 2.694 121.412 118.700 0.031 0.000 2.635 351 N HA 0.078 4.818 4.740 -0.000 0.000 0.307 351 N C -0.121 175.420 175.510 0.051 0.000 1.433 351 N CA -0.362 52.717 53.050 0.049 0.000 0.973 351 N CB 0.340 38.857 38.487 0.050 0.000 1.304 351 N HN 0.371 nan 8.380 nan 0.000 0.507 352 S N 0.294 116.020 115.700 0.043 0.000 2.624 352 S HA 0.402 4.872 4.470 -0.000 0.000 0.263 352 S C -2.410 172.223 174.600 0.055 0.000 1.287 352 S CA -1.133 57.092 58.200 0.041 0.000 0.990 352 S CB 0.848 64.065 63.200 0.029 0.000 0.950 352 S HN 0.136 nan 8.310 nan 0.000 0.561 353 P HA 0.068 nan 4.420 nan 0.000 0.264 353 P C -0.789 176.541 177.300 0.049 0.000 1.183 353 P CA -0.263 62.874 63.100 0.062 0.000 0.763 353 P CB 0.136 31.866 31.700 0.051 0.000 0.807 354 L N 3.664 124.921 121.223 0.056 0.000 2.255 354 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 354 L C 0.151 177.023 176.870 0.004 0.000 1.046 354 L CA -0.811 54.045 54.840 0.026 0.000 0.816 354 L CB -0.024 42.051 42.059 0.027 0.000 1.197 354 L HN 0.441 nan 8.230 nan 0.000 0.427 355 A N 7.910 130.726 122.820 -0.006 0.000 2.425 355 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 355 A C -2.311 175.250 177.584 -0.038 0.000 1.077 355 A CA -0.959 51.070 52.037 -0.014 0.000 0.781 355 A CB -0.639 18.353 19.000 -0.013 0.000 1.020 355 A HN 0.663 nan 8.150 nan 0.000 0.494 356 P HA 0.283 nan 4.420 nan 0.000 0.271 356 P C 0.809 178.057 177.300 -0.087 0.000 1.220 356 P CA 1.300 64.363 63.100 -0.062 0.000 0.768 356 P CB 1.048 32.725 31.700 -0.038 0.000 0.848 357 G N 2.648 111.358 108.800 -0.150 0.000 2.284 357 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 357 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 357 G C 0.089 174.885 174.900 -0.173 0.000 1.009 357 G CA -0.284 44.708 45.100 -0.180 0.000 0.625 357 G HN 0.542 nan 8.290 nan 0.000 0.501 358 E N 0.358 120.484 120.200 -0.124 0.000 2.345 358 E HA 0.598 4.948 4.350 -0.000 0.000 0.259 358 E C -0.142 176.398 176.600 -0.101 0.000 1.117 358 E CA 0.452 56.795 56.400 -0.095 0.000 0.913 358 E CB 1.378 31.043 29.700 -0.058 0.000 1.057 358 E HN 0.197 nan 8.360 nan 0.000 0.432 359 T N 1.005 115.516 114.554 -0.071 0.000 3.237 359 T HA 0.458 4.808 4.350 -0.000 0.000 0.319 359 T C -1.602 173.077 174.700 -0.035 0.000 1.037 359 T CA -0.825 61.238 62.100 -0.061 0.000 1.048 359 T CB 0.443 69.272 68.868 -0.065 0.000 1.081 359 T HN 0.587 nan 8.240 nan 0.000 0.455 360 R N 2.057 122.543 120.500 -0.023 0.000 2.771 360 R HA 0.814 5.154 4.340 -0.000 0.000 0.274 360 R C -1.267 175.032 176.300 -0.002 0.000 0.987 360 R CA -0.827 55.267 56.100 -0.010 0.000 0.908 360 R CB 1.524 31.823 30.300 -0.003 0.000 1.213 360 R HN 0.473 nan 8.270 nan 0.000 0.468 361 T N 1.257 115.809 114.554 -0.003 0.000 2.867 361 T HA 0.557 4.907 4.350 -0.000 0.000 0.282 361 T C -0.827 173.872 174.700 -0.002 0.000 1.000 361 T CA -0.657 61.442 62.100 -0.002 0.000 1.042 361 T CB 1.657 70.522 68.868 -0.006 0.000 0.973 361 T HN 0.339 nan 8.240 nan 0.000 0.465 362 V N 1.813 121.725 119.914 -0.004 0.000 3.012 362 V HA 0.372 4.492 4.120 -0.000 0.000 0.307 362 V C -1.379 174.700 176.094 -0.025 0.000 1.166 362 V CA -0.938 61.358 62.300 -0.007 0.000 0.974 362 V CB 2.624 34.454 31.823 0.011 0.000 1.040 362 V HN 0.883 nan 8.190 nan 0.000 0.428 363 D N 2.339 122.719 120.400 -0.034 0.000 2.193 363 D HA 0.592 5.232 4.640 -0.000 0.000 0.244 363 D C -0.945 175.312 176.300 -0.072 0.000 1.064 363 D CA 0.037 54.004 54.000 -0.055 0.000 0.845 363 D CB 2.299 43.068 40.800 -0.052 0.000 1.148 363 D HN 0.215 nan 8.370 nan 0.000 0.464 364 V N 2.085 121.933 119.914 -0.109 0.000 2.588 364 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 364 V C -0.189 175.792 176.094 -0.187 0.000 1.042 364 V CA -0.467 61.750 62.300 -0.139 0.000 0.877 364 V CB 2.317 34.036 31.823 -0.174 0.000 0.996 364 V HN 0.518 nan 8.190 nan 0.000 0.425 365 T N 4.333 118.785 114.554 -0.170 0.000 2.833 365 T HA 0.620 4.970 4.350 -0.000 0.000 0.297 365 T C -0.058 174.489 174.700 -0.256 0.000 1.015 365 T CA -0.257 61.715 62.100 -0.215 0.000 0.963 365 T CB 1.419 70.191 68.868 -0.161 0.000 0.955 365 T HN 0.870 nan 8.240 nan 0.000 0.449 366 A N 2.852 125.409 122.820 -0.439 0.000 2.309 366 A HA 0.723 5.043 4.320 -0.000 0.000 0.290 366 A C 0.295 177.490 177.584 -0.648 0.000 1.206 366 A CA -0.468 51.062 52.037 -0.845 0.000 0.850 366 A CB 0.471 18.606 19.000 -1.442 0.000 1.118 366 A HN 0.644 nan 8.150 nan 0.000 0.523 367 S N 1.870 117.472 115.700 -0.164 0.000 2.614 367 S HA 0.618 5.088 4.470 -0.000 0.000 0.275 367 S C -1.680 173.163 174.600 0.406 0.000 1.161 367 S CA -0.589 57.662 58.200 0.086 0.000 0.969 367 S CB 1.049 64.257 63.200 0.013 0.000 1.059 367 S HN 0.892 nan 8.310 nan 0.000 0.482 368 D N 2.041 122.681 120.400 0.400 0.000 2.766 368 D HA 0.275 4.915 4.640 -0.000 0.000 0.244 368 D C 0.740 177.211 176.300 0.284 0.000 1.198 368 D CA -0.093 54.089 54.000 0.302 0.000 0.739 368 D CB 1.451 42.388 40.800 0.227 0.000 1.379 368 D HN 0.586 nan 8.370 nan 0.000 0.437 369 A N 1.691 124.631 122.820 0.199 0.000 1.986 369 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 369 A C 2.047 179.768 177.584 0.227 0.000 1.171 369 A CA 2.627 54.778 52.037 0.190 0.000 0.640 369 A CB -0.555 18.524 19.000 0.133 0.000 0.811 369 A HN 0.622 nan 8.150 nan 0.000 0.451 370 A N -1.934 121.014 122.820 0.214 0.000 1.978 370 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 370 A C 1.899 179.654 177.584 0.284 0.000 1.170 370 A CA 1.492 53.661 52.037 0.219 0.000 0.636 370 A CB -0.806 18.226 19.000 0.053 0.000 0.810 370 A HN 0.859 nan 8.150 nan 0.000 0.448 371 W N 0.176 121.580 121.300 0.172 0.000 2.465 371 W HA -0.038 4.622 4.660 -0.000 0.000 0.268 371 W C 1.976 178.592 176.519 0.162 0.000 1.242 371 W CA 1.584 59.046 57.345 0.195 0.000 1.248 371 W CB 0.204 29.809 29.460 0.242 0.000 1.118 371 W HN 0.473 nan 8.180 nan 0.000 0.587 372 E N -1.391 118.958 120.200 0.248 0.000 2.290 372 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 372 E C 2.030 178.659 176.600 0.049 0.000 0.948 372 E CA 0.470 56.932 56.400 0.103 0.000 0.895 372 E CB 0.047 29.868 29.700 0.202 0.000 0.865 372 E HN -0.006 nan 8.360 nan 0.000 0.486 373 V N 0.395 120.375 119.914 0.110 0.000 2.548 373 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 373 V C 1.043 177.102 176.094 -0.058 0.000 1.055 373 V CA 1.432 63.757 62.300 0.041 0.000 1.065 373 V CB -0.252 31.622 31.823 0.085 0.000 0.681 373 V HN 0.343 nan 8.190 nan 0.000 0.462 374 Y N -0.326 119.946 120.300 -0.046 0.000 2.524 374 Y HA 0.290 4.840 4.550 -0.000 0.000 0.266 374 Y C 1.282 177.104 175.900 -0.130 0.000 1.180 374 Y CA -0.352 57.706 58.100 -0.069 0.000 1.244 374 Y CB 0.103 38.535 38.460 -0.047 0.000 1.125 374 Y HN 0.160 nan 8.280 nan 0.000 0.524 375 R N -1.315 119.137 120.500 -0.081 0.000 3.951 375 R HA -0.264 4.076 4.340 -0.000 0.000 0.352 375 R C 0.955 177.088 176.300 -0.279 0.000 1.178 375 R CA 0.863 56.866 56.100 -0.162 0.000 0.949 375 R CB -2.451 27.793 30.300 -0.093 0.000 1.452 375 R HN 0.425 nan 8.270 nan 0.000 0.540 376 L N 0.558 121.521 121.223 -0.433 0.000 2.081 376 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 376 L C 2.626 178.932 176.870 -0.940 0.000 1.080 376 L CA 2.203 56.682 54.840 -0.603 0.000 0.754 376 L CB -0.809 40.785 42.059 -0.775 0.000 0.893 376 L HN 0.474 nan 8.230 nan 0.000 0.433 377 S N -0.672 114.109 115.700 -1.531 0.000 2.444 377 S HA -0.251 4.219 4.470 -0.000 0.000 0.244 377 S C 1.304 175.765 174.600 -0.231 0.000 1.025 377 S CA 1.786 59.331 58.200 -1.093 0.000 0.995 377 S CB -0.542 62.311 63.200 -0.579 0.000 0.781 377 S HN 0.425 nan 8.310 nan 0.000 0.496 378 D N 0.821 121.147 120.400 -0.123 0.000 2.336 378 D HA 0.189 4.829 4.640 -0.000 0.000 0.229 378 D C 1.450 177.876 176.300 0.210 0.000 1.061 378 D CA -0.073 54.041 54.000 0.190 0.000 0.875 378 D CB -0.248 40.640 40.800 0.146 0.000 0.904 378 D HN 0.344 nan 8.370 nan 0.000 0.525 379 I N 0.872 121.466 120.570 0.041 0.000 2.530 379 I HA -0.223 3.947 4.170 -0.000 0.000 0.257 379 I C 1.827 178.031 176.117 0.145 0.000 1.179 379 I CA 0.624 61.968 61.300 0.072 0.000 1.440 379 I CB -0.182 37.768 38.000 -0.083 0.000 1.087 379 I HN 0.010 nan 8.210 nan 0.000 0.440 380 I N -0.256 120.414 120.570 0.166 0.000 2.916 380 I HA -0.265 3.905 4.170 -0.000 0.000 0.267 380 I C 1.482 177.543 176.117 -0.093 0.000 1.263 380 I CA 1.508 62.868 61.300 0.100 0.000 1.471 380 I CB -0.337 37.682 38.000 0.032 0.000 1.089 380 I HN 0.156 nan 8.210 nan 0.000 0.468 381 Y N -0.564 119.808 120.300 0.120 0.000 2.449 381 Y HA 0.246 4.796 4.550 -0.000 0.000 0.254 381 Y C 0.700 176.642 175.900 0.070 0.000 1.140 381 Y CA -0.743 57.408 58.100 0.086 0.000 1.272 381 Y CB -0.176 38.328 38.460 0.072 0.000 1.114 381 Y HN 0.019 nan 8.280 nan 0.000 0.525 382 D N 2.224 122.746 120.400 0.202 0.000 2.341 382 D HA 0.073 4.713 4.640 -0.000 0.000 0.245 382 D C -1.546 174.719 176.300 -0.060 0.000 1.106 382 D CA -1.365 52.692 54.000 0.096 0.000 0.905 382 D CB 1.035 41.892 40.800 0.094 0.000 1.202 382 D HN 0.083 nan 8.370 nan 0.000 0.426 383 P HA 0.052 nan 4.420 nan 0.000 0.253 383 P C -0.305 176.839 177.300 -0.259 0.000 1.260 383 P CA 0.410 63.428 63.100 -0.137 0.000 0.800 383 P CB 0.540 32.201 31.700 -0.065 0.000 1.162 384 D N -0.407 119.682 120.400 -0.518 0.000 2.472 384 D HA 0.073 4.713 4.640 -0.000 0.000 0.248 384 D C -0.608 175.481 176.300 -0.351 0.000 1.271 384 D CA -0.323 53.384 54.000 -0.488 0.000 0.888 384 D CB 0.382 40.735 40.800 -0.744 0.000 1.337 384 D HN -0.323 nan 8.370 nan 0.000 0.526 385 S N 2.901 118.541 115.700 -0.100 0.000 3.864 385 S HA 0.218 4.688 4.470 -0.000 0.000 0.202 385 S C 0.247 174.923 174.600 0.126 0.000 1.402 385 S CA -0.102 58.127 58.200 0.047 0.000 1.072 385 S CB -0.409 62.864 63.200 0.122 0.000 1.383 385 S HN 0.262 nan 8.310 nan 0.000 0.458 386 R N 1.206 121.787 120.500 0.134 0.000 2.670 386 R HA 0.552 4.892 4.340 -0.000 0.000 0.289 386 R C -0.555 175.923 176.300 0.297 0.000 0.965 386 R CA -0.715 55.507 56.100 0.203 0.000 0.899 386 R CB 1.427 31.811 30.300 0.140 0.000 1.173 386 R HN 0.451 nan 8.270 nan 0.000 0.456 387 F N 0.194 120.236 119.950 0.153 0.000 2.671 387 F HA 0.942 5.469 4.527 -0.000 0.000 0.373 387 F C -1.190 174.678 175.800 0.114 0.000 1.122 387 F CA -1.339 56.752 58.000 0.152 0.000 1.082 387 F CB 1.474 40.575 39.000 0.169 0.000 1.399 387 F HN 0.535 nan 8.300 nan 0.000 0.509 388 A N 0.264 123.073 122.820 -0.018 0.000 2.565 388 A HA 0.723 5.043 4.320 -0.000 0.000 0.298 388 A C -0.865 176.833 177.584 0.189 0.000 1.062 388 A CA -0.014 51.879 52.037 -0.240 0.000 0.723 388 A CB 0.813 19.446 19.000 -0.610 0.000 1.282 388 A HN 1.837 nan 8.150 nan 0.000 0.400 389 G N -0.006 108.909 108.800 0.193 0.000 2.788 389 G HA2 0.662 4.622 3.960 -0.000 0.000 0.293 389 G HA3 0.662 4.622 3.960 -0.000 0.000 0.293 389 G C -1.538 173.361 174.900 -0.003 0.000 1.392 389 G CA -0.728 44.495 45.100 0.204 0.000 0.810 389 G HN 0.840 nan 8.290 nan 0.000 0.508 390 L N 0.403 121.644 121.223 0.030 0.000 2.329 390 L HA 0.566 4.906 4.340 -0.000 0.000 0.279 390 L C -0.473 176.379 176.870 -0.031 0.000 1.014 390 L CA -0.708 54.013 54.840 -0.199 0.000 0.814 390 L CB 1.847 43.611 42.059 -0.493 0.000 1.257 390 L HN 0.207 nan 8.230 nan 0.000 0.424 391 L N 2.513 123.593 121.223 -0.239 0.000 2.334 391 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 391 L C -1.129 175.365 176.870 -0.626 0.000 1.036 391 L CA -0.408 54.307 54.840 -0.208 0.000 0.807 391 L CB 1.620 43.616 42.059 -0.105 0.000 1.231 391 L HN 0.375 nan 8.230 nan 0.000 0.438 392 F N 1.724 121.514 119.950 -0.266 0.000 2.499 392 F HA 0.468 4.995 4.527 -0.000 0.000 0.333 392 F C -0.387 175.146 175.800 -0.445 0.000 1.138 392 F CA -0.351 57.467 58.000 -0.302 0.000 0.945 392 F CB 1.304 40.185 39.000 -0.198 0.000 1.181 392 F HN 0.117 nan 8.300 nan 0.000 0.435 393 F N 3.138 122.979 119.950 -0.183 0.000 2.450 393 F HA 0.633 5.160 4.527 -0.000 0.000 0.332 393 F C -0.588 175.028 175.800 -0.307 0.000 1.093 393 F CA -0.973 56.985 58.000 -0.071 0.000 1.003 393 F CB 1.293 40.259 39.000 -0.058 0.000 1.151 393 F HN 0.190 nan 8.300 nan 0.000 0.474 394 F N 1.172 121.240 119.950 0.198 0.000 2.520 394 F HA 0.329 4.856 4.527 -0.000 0.000 0.322 394 F C 0.034 175.911 175.800 0.129 0.000 1.103 394 F CA -1.206 56.874 58.000 0.132 0.000 0.926 394 F CB 1.356 40.412 39.000 0.093 0.000 1.154 394 F HN 0.463 nan 8.300 nan 0.000 0.453 395 D N 1.724 122.269 120.400 0.241 0.000 2.440 395 D HA 0.361 5.001 4.640 -0.000 0.000 0.269 395 D C 1.171 177.569 176.300 0.163 0.000 1.249 395 D CA -0.202 53.897 54.000 0.165 0.000 1.055 395 D CB 0.234 41.093 40.800 0.098 0.000 1.104 395 D HN 0.498 nan 8.370 nan 0.000 0.561 396 A N -0.588 122.298 122.820 0.111 0.000 1.865 396 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 396 A C 2.030 179.668 177.584 0.090 0.000 1.191 396 A CA 2.783 54.874 52.037 0.090 0.000 0.623 396 A CB -1.684 17.354 19.000 0.064 0.000 0.826 396 A HN 0.780 nan 8.150 nan 0.000 0.444 397 T N -3.651 110.954 114.554 0.085 0.000 3.252 397 T HA 0.396 4.746 4.350 -0.000 0.000 0.250 397 T C 1.240 176.006 174.700 0.110 0.000 1.123 397 T CA 1.015 63.163 62.100 0.081 0.000 1.006 397 T CB -0.302 68.604 68.868 0.063 0.000 0.992 397 T HN 1.828 nan 8.240 nan 0.000 0.547 398 G N 2.206 111.099 108.800 0.156 0.000 2.143 398 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.249 398 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.249 398 G C -0.138 174.927 174.900 0.275 0.000 0.981 398 G CA -0.084 45.157 45.100 0.234 0.000 0.665 398 G HN 0.916 nan 8.290 nan 0.000 0.528 399 N N -0.077 118.728 118.700 0.174 0.000 2.524 399 N HA 0.637 5.377 4.740 -0.000 0.000 0.283 399 N C 0.055 175.584 175.510 0.031 0.000 1.142 399 N CA -0.429 52.687 53.050 0.111 0.000 0.984 399 N CB 1.174 39.699 38.487 0.063 0.000 1.155 399 N HN 0.704 nan 8.380 nan 0.000 0.467 400 R N -0.341 120.103 120.500 -0.094 0.000 2.534 400 R HA 0.451 4.791 4.340 -0.000 0.000 0.301 400 R C -0.874 175.301 176.300 -0.209 0.000 0.961 400 R CA -0.750 55.131 56.100 -0.365 0.000 0.871 400 R CB 1.034 30.760 30.300 -0.957 0.000 1.170 400 R HN 0.438 nan 8.270 nan 0.000 0.446 401 Q N 1.141 120.844 119.800 -0.162 0.000 2.227 401 Q HA 0.470 4.810 4.340 -0.000 0.000 0.245 401 Q C -0.968 174.957 176.000 -0.124 0.000 0.926 401 Q CA -0.739 55.001 55.803 -0.105 0.000 0.895 401 Q CB 2.319 31.008 28.738 -0.080 0.000 1.230 401 Q HN 0.564 nan 8.270 nan 0.000 0.450 402 V N 3.246 123.047 119.914 -0.189 0.000 2.417 402 V HA 0.789 4.909 4.120 -0.000 0.000 0.291 402 V C -0.969 174.938 176.094 -0.312 0.000 1.024 402 V CA -0.568 61.475 62.300 -0.428 0.000 0.861 402 V CB 1.343 32.781 31.823 -0.641 0.000 0.985 402 V HN 0.623 nan 8.190 nan 0.000 0.436 403 V N 4.201 123.965 119.914 -0.249 0.000 2.815 403 V HA 0.690 4.810 4.120 -0.000 0.000 0.314 403 V C -0.580 175.382 176.094 -0.220 0.000 1.064 403 V CA -0.667 61.529 62.300 -0.172 0.000 0.952 403 V CB 1.726 33.523 31.823 -0.044 0.000 1.020 403 V HN 1.135 nan 8.190 nan 0.000 0.439 404 Q N 3.456 123.153 119.800 -0.171 0.000 2.271 404 Q HA 0.718 5.058 4.340 -0.000 0.000 0.258 404 Q C -0.793 175.191 176.000 -0.027 0.000 0.936 404 Q CA -0.794 54.931 55.803 -0.131 0.000 0.909 404 Q CB 1.715 30.407 28.738 -0.077 0.000 1.253 404 Q HN 0.944 nan 8.270 nan 0.000 0.440 405 I N 0.253 120.822 120.570 -0.002 0.000 2.648 405 I HA 0.766 4.936 4.170 -0.000 0.000 0.304 405 I C -1.102 174.950 176.117 -0.108 0.000 1.009 405 I CA -0.934 60.362 61.300 -0.007 0.000 1.114 405 I CB 1.974 39.993 38.000 0.032 0.000 1.293 405 I HN 0.729 nan 8.210 nan 0.000 0.449 406 D N 3.509 123.805 120.400 -0.173 0.000 2.655 406 D HA 0.858 5.498 4.640 -0.000 0.000 0.229 406 D C -1.204 174.875 176.300 -0.369 0.000 1.229 406 D CA -0.496 53.258 54.000 -0.409 0.000 0.807 406 D CB 2.270 43.045 40.800 -0.042 0.000 1.514 406 D HN 1.160 nan 8.370 nan 0.000 0.444 407 A N 1.101 123.589 122.820 -0.553 0.000 2.515 407 A HA 0.704 5.024 4.320 -0.000 0.000 0.292 407 A C -3.041 174.534 177.584 -0.015 0.000 1.065 407 A CA -1.262 50.670 52.037 -0.176 0.000 0.641 407 A CB 0.706 19.694 19.000 -0.021 0.000 1.306 407 A HN 0.480 nan 8.150 nan 0.000 0.441 408 P HA 0.495 nan 4.420 nan 0.000 0.275 408 P C -0.970 176.516 177.300 0.311 0.000 1.227 408 P CA -0.118 63.092 63.100 0.184 0.000 0.781 408 P CB 0.674 32.448 31.700 0.124 0.000 0.906 409 L N 4.311 125.742 121.223 0.347 0.000 2.316 409 L HA 0.500 4.840 4.340 -0.000 0.000 0.280 409 L C -1.117 175.939 176.870 0.309 0.000 1.006 409 L CA -0.337 54.702 54.840 0.332 0.000 0.836 409 L CB 0.431 42.679 42.059 0.316 0.000 1.221 409 L HN 0.191 nan 8.230 nan 0.000 0.418 410 I N 7.471 128.178 120.570 0.229 0.000 2.359 410 I HA 0.478 4.648 4.170 -0.000 0.000 0.294 410 I C -1.950 174.162 176.117 -0.008 0.000 0.987 410 I CA -1.894 59.490 61.300 0.140 0.000 1.225 410 I CB 1.388 39.417 38.000 0.048 0.000 1.366 410 I HN 0.515 nan 8.210 nan 0.000 0.466 411 P HA 0.099 nan 4.420 nan 0.000 0.272 411 P C -0.896 175.848 177.300 -0.927 0.000 1.223 411 P CA -0.290 62.216 63.100 -0.990 0.000 0.784 411 P CB 1.033 32.240 31.700 -0.823 0.000 0.923 412 S N 0.582 115.660 115.700 -1.036 0.000 2.526 412 S HA 0.611 5.081 4.470 -0.000 0.000 0.293 412 S C -0.176 173.885 174.600 -0.898 0.000 1.092 412 S CA -0.534 57.166 58.200 -0.834 0.000 0.980 412 S CB 0.926 63.888 63.200 -0.397 0.000 1.048 412 S HN 0.286 nan 8.310 nan 0.000 0.483 413 F N 0.657 120.543 119.950 -0.108 0.000 2.699 413 F HA 0.400 4.927 4.527 -0.000 0.000 0.295 413 F C 0.703 176.470 175.800 -0.055 0.000 1.052 413 F CA -0.585 57.366 58.000 -0.082 0.000 1.239 413 F CB -0.004 38.953 39.000 -0.071 0.000 1.018 413 F HN 0.549 nan 8.300 nan 0.000 0.627 414 M N 0.000 119.675 119.600 0.126 0.000 2.572 414 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 414 M CA 0.000 55.343 55.300 0.071 0.000 0.988 414 M CB 0.000 32.646 32.600 0.076 0.000 1.302 414 M HN 0.000 nan 8.290 nan 0.000 0.411