REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1b3b_1_A DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMDLPFGGG DATA SEQUENCE KGGVRVDPKK LSRNELERLS RRFFSEIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDTYSMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKKAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKRG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.606 174.600 0.011 0.000 1.055 4 S CA 0.000 58.205 58.200 0.009 0.000 1.107 4 S CB 0.000 63.211 63.200 0.019 0.000 0.593 5 L N 2.222 123.465 121.223 0.033 0.000 2.079 5 L HA 0.078 4.419 4.340 0.000 0.000 0.210 5 L C 1.958 178.849 176.870 0.035 0.000 1.081 5 L CA 2.352 57.225 54.840 0.054 0.000 0.752 5 L CB -1.352 40.750 42.059 0.072 0.000 0.896 5 L HN 0.922 nan 8.230 nan 0.000 0.433 6 Y N 0.557 120.777 120.300 -0.133 0.000 2.153 6 Y HA -0.187 4.363 4.550 0.000 0.000 0.289 6 Y C 2.442 178.156 175.900 -0.311 0.000 1.127 6 Y CA 1.997 59.937 58.100 -0.267 0.000 1.131 6 Y CB -0.309 37.996 38.460 -0.258 0.000 0.995 6 Y HN 0.350 nan 8.280 nan 0.000 0.505 7 E N -0.220 119.800 120.200 -0.300 0.000 2.097 7 E HA -0.280 4.070 4.350 0.000 0.000 0.196 7 E C 2.247 178.667 176.600 -0.300 0.000 1.000 7 E CA 1.879 58.072 56.400 -0.344 0.000 0.804 7 E CB -0.281 29.335 29.700 -0.139 0.000 0.740 7 E HN 0.528 nan 8.360 nan 0.000 0.454 8 M N 0.112 119.609 119.600 -0.171 0.000 2.108 8 M HA -0.191 4.289 4.480 0.000 0.000 0.261 8 M C 2.492 178.742 176.300 -0.084 0.000 1.066 8 M CA 1.447 56.702 55.300 -0.076 0.000 1.107 8 M CB -0.268 32.342 32.600 0.016 0.000 1.356 8 M HN 0.172 nan 8.290 nan 0.000 0.406 9 A N -0.287 122.403 122.820 -0.216 0.000 1.902 9 A HA -0.104 4.216 4.320 0.000 0.000 0.217 9 A C 2.205 179.501 177.584 -0.480 0.000 1.181 9 A CA 1.531 53.346 52.037 -0.369 0.000 0.623 9 A CB -0.947 17.531 19.000 -0.870 0.000 0.818 9 A HN 0.306 nan 8.150 nan 0.000 0.443 10 V N -0.054 119.406 119.914 -0.756 0.000 2.295 10 V HA -0.286 3.834 4.120 0.000 0.000 0.246 10 V C 2.487 178.528 176.094 -0.089 0.000 1.049 10 V CA 2.319 64.301 62.300 -0.529 0.000 1.024 10 V CB -0.720 30.717 31.823 -0.644 0.000 0.648 10 V HN 0.701 nan 8.190 nan 0.000 0.447 11 E N -0.379 119.744 120.200 -0.127 0.000 2.033 11 E HA -0.306 4.044 4.350 0.000 0.000 0.199 11 E C 2.390 178.967 176.600 -0.038 0.000 1.011 11 E CA 1.813 58.177 56.400 -0.060 0.000 0.815 11 E CB -0.156 29.511 29.700 -0.056 0.000 0.755 11 E HN 0.596 nan 8.360 nan 0.000 0.451 12 Q N -0.563 119.232 119.800 -0.008 0.000 2.152 12 Q HA -0.216 4.124 4.340 0.000 0.000 0.206 12 Q C 2.103 178.018 176.000 -0.142 0.000 0.985 12 Q CA 1.598 57.369 55.803 -0.054 0.000 0.863 12 Q CB -0.271 28.508 28.738 0.068 0.000 0.904 12 Q HN 0.339 nan 8.270 nan 0.000 0.422 13 F N 2.027 121.871 119.950 -0.178 0.000 2.113 13 F HA -0.167 4.360 4.527 0.000 0.000 0.297 13 F C 1.740 177.440 175.800 -0.167 0.000 1.103 13 F CA 1.362 59.239 58.000 -0.206 0.000 1.248 13 F CB -0.392 38.634 39.000 0.044 0.000 0.999 13 F HN 0.025 nan 8.300 nan 0.000 0.475 14 N N 0.803 119.294 118.700 -0.348 0.000 2.149 14 N HA -0.186 4.554 4.740 0.000 0.000 0.188 14 N C 2.043 177.348 175.510 -0.341 0.000 1.019 14 N CA 1.224 54.023 53.050 -0.420 0.000 0.857 14 N CB -0.572 37.825 38.487 -0.149 0.000 0.997 14 N HN 0.367 nan 8.380 nan 0.000 0.426 15 R N 0.546 120.901 120.500 -0.241 0.000 2.094 15 R HA -0.096 4.244 4.340 0.000 0.000 0.239 15 R C 1.923 178.099 176.300 -0.208 0.000 1.137 15 R CA 1.792 57.785 56.100 -0.180 0.000 0.943 15 R CB -0.282 29.935 30.300 -0.138 0.000 0.850 15 R HN 0.238 nan 8.270 nan 0.000 0.433 16 A N -0.066 122.590 122.820 -0.273 0.000 2.066 16 A HA 0.032 4.352 4.320 0.000 0.000 0.218 16 A C 2.135 179.528 177.584 -0.319 0.000 1.157 16 A CA 1.271 53.152 52.037 -0.261 0.000 0.670 16 A CB -0.320 18.537 19.000 -0.238 0.000 0.804 16 A HN 0.501 nan 8.150 nan 0.000 0.453 17 A N -0.668 121.866 122.820 -0.478 0.000 1.969 17 A HA -0.000 4.320 4.320 0.000 0.000 0.218 17 A C 2.333 179.771 177.584 -0.243 0.000 1.169 17 A CA 1.821 53.574 52.037 -0.473 0.000 0.635 17 A CB -0.533 17.990 19.000 -0.795 0.000 0.810 17 A HN 0.405 nan 8.150 nan 0.000 0.445 18 S N -0.280 115.301 115.700 -0.198 0.000 2.436 18 S HA 0.078 4.548 4.470 0.000 0.000 0.228 18 S C 1.639 176.211 174.600 -0.046 0.000 1.014 18 S CA 0.374 58.512 58.200 -0.103 0.000 0.950 18 S CB -0.136 63.009 63.200 -0.091 0.000 0.784 18 S HN 0.423 nan 8.310 nan 0.000 0.504 19 L N 1.475 122.671 121.223 -0.044 0.000 2.201 19 L HA 0.125 4.465 4.340 0.000 0.000 0.212 19 L C 1.005 177.989 176.870 0.191 0.000 1.105 19 L CA 1.102 55.978 54.840 0.061 0.000 0.775 19 L CB -0.817 41.258 42.059 0.027 0.000 0.913 19 L HN 0.505 nan 8.230 nan 0.000 0.440 20 M N -2.730 116.920 119.600 0.083 0.000 2.664 20 M HA 0.379 4.859 4.480 0.000 0.000 0.314 20 M C -0.708 175.628 176.300 0.061 0.000 1.200 20 M CA -0.688 54.702 55.300 0.150 0.000 0.916 20 M CB 1.760 34.390 32.600 0.049 0.000 1.717 20 M HN -0.249 nan 8.290 nan 0.000 0.470 21 D N 3.161 123.606 120.400 0.075 0.000 2.498 21 D HA 0.326 4.966 4.640 0.000 0.000 0.229 21 D C -1.280 175.042 176.300 0.037 0.000 1.188 21 D CA 0.191 54.216 54.000 0.041 0.000 1.028 21 D CB 0.249 41.073 40.800 0.040 0.000 1.087 21 D HN 0.422 nan 8.370 nan 0.000 0.510 22 L N 2.573 123.807 121.223 0.018 0.000 2.287 22 L HA 0.245 4.585 4.340 0.000 0.000 0.287 22 L C -0.128 176.763 176.870 0.035 0.000 1.022 22 L CA -0.661 54.197 54.840 0.029 0.000 0.814 22 L CB 1.265 43.330 42.059 0.010 0.000 1.217 22 L HN -0.016 nan 8.230 nan 0.000 0.420 23 E N 2.417 122.646 120.200 0.050 0.000 2.652 23 E HA -0.061 4.289 4.350 0.000 0.000 0.255 23 E C 1.142 177.775 176.600 0.054 0.000 0.952 23 E CA 0.778 57.206 56.400 0.048 0.000 0.947 23 E CB 0.629 30.360 29.700 0.052 0.000 0.912 23 E HN 0.680 nan 8.360 nan 0.000 0.489 24 S N 3.210 118.936 115.700 0.043 0.000 2.365 24 S HA -0.238 4.232 4.470 0.000 0.000 0.221 24 S C 1.497 176.134 174.600 0.063 0.000 1.037 24 S CA 1.830 60.058 58.200 0.047 0.000 1.060 24 S CB -0.251 62.968 63.200 0.033 0.000 0.974 24 S HN 0.772 nan 8.310 nan 0.000 0.427 25 D N 1.042 121.474 120.400 0.053 0.000 2.190 25 D HA -0.149 4.491 4.640 0.000 0.000 0.200 25 D C 2.005 178.345 176.300 0.067 0.000 0.992 25 D CA 1.033 55.065 54.000 0.053 0.000 0.854 25 D CB -0.746 40.078 40.800 0.040 0.000 0.936 25 D HN 0.465 nan 8.370 nan 0.000 0.462 26 L N 1.010 122.279 121.223 0.075 0.000 2.044 26 L HA 0.133 4.473 4.340 0.000 0.000 0.205 26 L C 2.539 179.491 176.870 0.138 0.000 1.075 26 L CA 1.918 56.813 54.840 0.091 0.000 0.747 26 L CB -1.036 41.076 42.059 0.089 0.000 0.903 26 L HN 0.084 nan 8.230 nan 0.000 0.435 27 A N -0.865 122.055 122.820 0.167 0.000 1.986 27 A HA -0.243 4.077 4.320 0.000 0.000 0.220 27 A C 2.218 179.970 177.584 0.280 0.000 1.171 27 A CA 1.848 54.053 52.037 0.279 0.000 0.640 27 A CB -0.650 18.486 19.000 0.227 0.000 0.811 27 A HN 0.544 nan 8.150 nan 0.000 0.451 28 E N -0.227 120.079 120.200 0.178 0.000 2.077 28 E HA -0.148 4.202 4.350 0.000 0.000 0.193 28 E C 2.358 179.032 176.600 0.123 0.000 0.989 28 E CA 1.705 58.192 56.400 0.144 0.000 0.800 28 E CB -0.484 29.274 29.700 0.096 0.000 0.746 28 E HN 0.651 nan 8.360 nan 0.000 0.452 29 V N -0.947 119.026 119.914 0.099 0.000 2.379 29 V HA -0.161 3.959 4.120 0.000 0.000 0.245 29 V C 2.391 178.515 176.094 0.051 0.000 1.044 29 V CA 1.228 63.562 62.300 0.057 0.000 1.036 29 V CB -0.860 30.982 31.823 0.031 0.000 0.664 29 V HN 0.114 nan 8.190 nan 0.000 0.453 30 L N -0.507 120.782 121.223 0.111 0.000 2.450 30 L HA -0.035 4.305 4.340 0.000 0.000 0.224 30 L C 2.939 179.899 176.870 0.149 0.000 1.149 30 L CA 1.392 56.311 54.840 0.132 0.000 0.816 30 L CB -0.580 41.652 42.059 0.289 0.000 0.932 30 L HN 0.297 nan 8.230 nan 0.000 0.449 31 R N -0.160 120.435 120.500 0.159 0.000 2.048 31 R HA 0.089 4.429 4.340 0.000 0.000 0.221 31 R C 0.756 177.291 176.300 0.391 0.000 1.174 31 R CA 0.245 56.472 56.100 0.213 0.000 0.971 31 R CB 0.099 30.495 30.300 0.160 0.000 0.863 31 R HN 0.215 nan 8.270 nan 0.000 0.439 32 R N 1.897 122.540 120.500 0.238 0.000 2.594 32 R HA 0.111 4.451 4.340 0.000 0.000 0.272 32 R C -2.267 174.129 176.300 0.161 0.000 1.074 32 R CA -1.312 54.912 56.100 0.207 0.000 1.105 32 R CB 0.116 30.475 30.300 0.098 0.000 1.008 32 R HN 0.149 nan 8.270 nan 0.000 0.472 33 P HA 0.055 nan 4.420 nan 0.000 0.284 33 P C -0.488 176.788 177.300 -0.040 0.000 1.253 33 P CA -0.401 62.759 63.100 0.099 0.000 0.800 33 P CB 1.372 33.135 31.700 0.105 0.000 0.961 34 K N 2.572 122.913 120.400 -0.100 0.000 2.002 34 K HA -0.063 4.257 4.320 0.000 0.000 0.209 34 K C 0.541 177.108 176.600 -0.055 0.000 1.048 34 K CA 1.190 57.427 56.287 -0.084 0.000 0.930 34 K CB 0.185 32.624 32.500 -0.102 0.000 0.714 34 K HN 0.434 nan 8.250 nan 0.000 0.438 35 R N -0.127 120.342 120.500 -0.051 0.000 2.686 35 R HA 0.401 4.741 4.340 0.000 0.000 0.283 35 R C -1.650 174.628 176.300 -0.036 0.000 0.978 35 R CA -0.688 55.387 56.100 -0.041 0.000 0.897 35 R CB 2.656 32.931 30.300 -0.043 0.000 1.192 35 R HN -0.110 nan 8.270 nan 0.000 0.457 36 V N 4.227 124.125 119.914 -0.027 0.000 2.488 36 V HA 0.342 4.462 4.120 0.000 0.000 0.293 36 V C -1.240 174.866 176.094 0.020 0.000 1.027 36 V CA -0.764 61.527 62.300 -0.015 0.000 0.862 36 V CB 1.726 33.522 31.823 -0.045 0.000 1.008 36 V HN 0.496 nan 8.190 nan 0.000 0.428 37 L N 6.967 128.221 121.223 0.052 0.000 2.325 37 L HA 0.711 5.051 4.340 0.000 0.000 0.281 37 L C -0.716 176.252 176.870 0.164 0.000 1.004 37 L CA 0.066 54.950 54.840 0.073 0.000 0.823 37 L CB 1.326 43.401 42.059 0.026 0.000 1.236 37 L HN 0.562 nan 8.230 nan 0.000 0.415 38 I N 6.187 126.863 120.570 0.177 0.000 2.354 38 I HA 0.541 4.711 4.170 0.000 0.000 0.292 38 I C -0.470 175.744 176.117 0.162 0.000 0.989 38 I CA -0.967 60.482 61.300 0.249 0.000 1.188 38 I CB 1.744 39.913 38.000 0.281 0.000 1.342 38 I HN 0.462 nan 8.210 nan 0.000 0.457 39 V N 2.342 122.357 119.914 0.168 0.000 2.680 39 V HA 0.609 4.729 4.120 0.000 0.000 0.309 39 V C -0.605 175.623 176.094 0.224 0.000 1.052 39 V CA -0.578 61.850 62.300 0.214 0.000 0.908 39 V CB 2.187 34.188 31.823 0.297 0.000 1.001 39 V HN 0.612 nan 8.190 nan 0.000 0.431 40 E N 4.488 124.795 120.200 0.179 0.000 2.255 40 E HA 0.416 4.766 4.350 0.000 0.000 0.245 40 E C -1.238 175.440 176.600 0.131 0.000 0.909 40 E CA 0.010 56.444 56.400 0.056 0.000 0.747 40 E CB 1.680 31.382 29.700 0.004 0.000 1.215 40 E HN 0.795 nan 8.360 nan 0.000 0.424 41 F N 1.149 121.151 119.950 0.087 0.000 2.469 41 F HA 0.718 5.245 4.527 0.000 0.000 0.332 41 F C -2.582 173.288 175.800 0.116 0.000 1.103 41 F CA -3.137 54.920 58.000 0.095 0.000 0.979 41 F CB 1.378 40.450 39.000 0.120 0.000 1.137 41 F HN -0.023 nan 8.300 nan 0.000 0.463 42 P HA 0.358 nan 4.420 nan 0.000 0.288 42 P C -1.126 176.272 177.300 0.163 0.000 1.267 42 P CA -0.524 62.630 63.100 0.090 0.000 0.815 42 P CB 2.156 33.882 31.700 0.042 0.000 0.989 43 V N 3.786 123.786 119.914 0.142 0.000 2.531 43 V HA 0.408 4.528 4.120 0.000 0.000 0.301 43 V C 0.578 176.694 176.094 0.037 0.000 1.034 43 V CA -0.896 61.469 62.300 0.108 0.000 0.865 43 V CB 1.731 33.592 31.823 0.063 0.000 0.995 43 V HN 0.513 nan 8.190 nan 0.000 0.424 44 R N 5.018 125.524 120.500 0.010 0.000 2.347 44 R HA 0.419 4.759 4.340 0.000 0.000 0.304 44 R C -0.288 176.013 176.300 0.001 0.000 1.072 44 R CA -0.446 55.647 56.100 -0.013 0.000 0.980 44 R CB 0.512 30.810 30.300 -0.004 0.000 0.986 44 R HN 0.578 nan 8.270 nan 0.000 0.448 45 M N 2.997 122.608 119.600 0.018 0.000 2.291 45 M HA 0.086 4.566 4.480 0.000 0.000 0.324 45 M C 0.955 177.306 176.300 0.086 0.000 1.148 45 M CA -0.187 55.164 55.300 0.085 0.000 1.104 45 M CB 0.958 33.689 32.600 0.217 0.000 1.483 45 M HN 0.657 nan 8.290 nan 0.000 0.467 46 D N 1.596 122.034 120.400 0.062 0.000 2.133 46 D HA -0.227 4.414 4.640 0.000 0.000 0.192 46 D C 0.914 177.244 176.300 0.050 0.000 1.001 46 D CA 2.150 56.173 54.000 0.039 0.000 0.844 46 D CB -0.282 40.532 40.800 0.024 0.000 0.944 46 D HN 0.757 nan 8.370 nan 0.000 0.447 47 D N -0.916 119.527 120.400 0.073 0.000 2.390 47 D HA 0.068 4.708 4.640 0.000 0.000 0.235 47 D C 1.462 177.810 176.300 0.079 0.000 1.040 47 D CA 1.076 55.106 54.000 0.051 0.000 0.923 47 D CB -0.100 40.698 40.800 -0.003 0.000 0.886 47 D HN 0.289 nan 8.370 nan 0.000 0.532 48 G N 0.315 109.176 108.800 0.102 0.000 2.363 48 G HA2 -0.336 3.624 3.960 0.000 0.000 0.238 48 G HA3 -0.336 3.624 3.960 0.000 0.000 0.238 48 G C 0.397 175.373 174.900 0.127 0.000 1.062 48 G CA 0.315 45.468 45.100 0.088 0.000 0.629 48 G HN 0.860 nan 8.290 nan 0.000 0.514 49 H N 1.444 120.516 119.070 0.003 0.000 2.615 49 H HA 0.612 5.168 4.556 0.000 0.000 0.363 49 H C 0.172 175.506 175.328 0.010 0.000 1.148 49 H CA 0.247 56.296 56.048 0.001 0.000 1.401 49 H CB 0.855 30.613 29.762 -0.006 0.000 1.461 49 H HN 0.351 nan 8.280 nan 0.000 0.588 50 V N 2.916 122.649 119.914 -0.302 0.000 2.644 50 V HA 0.270 4.390 4.120 0.000 0.000 0.295 50 V C 0.429 176.236 176.094 -0.478 0.000 1.053 50 V CA -0.651 61.459 62.300 -0.316 0.000 0.987 50 V CB 1.086 32.834 31.823 -0.124 0.000 1.006 50 V HN 0.895 nan 8.190 nan 0.000 0.472 51 E N 1.890 121.904 120.200 -0.309 0.000 2.275 51 E HA 0.580 4.930 4.350 0.000 0.000 0.270 51 E C -1.612 174.898 176.600 -0.150 0.000 0.882 51 E CA -0.514 55.723 56.400 -0.271 0.000 0.758 51 E CB 2.213 31.769 29.700 -0.239 0.000 1.195 51 E HN 0.494 nan 8.360 nan 0.000 0.419 52 V N 4.747 124.495 119.914 -0.277 0.000 2.509 52 V HA 0.436 4.556 4.120 0.000 0.000 0.284 52 V C -0.526 175.265 176.094 -0.506 0.000 1.047 52 V CA -0.250 61.897 62.300 -0.256 0.000 0.952 52 V CB 0.460 32.163 31.823 -0.201 0.000 0.988 52 V HN 0.536 nan 8.190 nan 0.000 0.469 53 F N 1.032 120.574 119.950 -0.679 0.000 2.561 53 F HA 0.565 5.092 4.527 -0.000 0.000 0.321 53 F C 0.612 175.942 175.800 -0.783 0.000 1.065 53 F CA -0.642 56.911 58.000 -0.744 0.000 0.934 53 F CB 2.051 40.532 39.000 -0.864 0.000 1.215 53 F HN 0.316 nan 8.300 nan 0.000 0.471 54 T N 1.385 115.771 114.554 -0.281 0.000 2.799 54 T HA 0.651 5.001 4.350 0.000 0.000 0.286 54 T C 0.101 174.636 174.700 -0.275 0.000 0.973 54 T CA -0.660 61.280 62.100 -0.266 0.000 1.035 54 T CB 1.135 69.842 68.868 -0.269 0.000 0.932 54 T HN 0.837 nan 8.240 nan 0.000 0.469 55 G N 1.813 110.514 108.800 -0.166 0.000 2.519 55 G HA2 0.711 4.671 3.960 0.000 0.000 0.307 55 G HA3 0.711 4.671 3.960 0.000 0.000 0.307 55 G C -1.888 172.883 174.900 -0.215 0.000 1.266 55 G CA -0.698 44.335 45.100 -0.111 0.000 0.970 55 G HN 0.653 nan 8.290 nan 0.000 0.481 56 Y N -0.288 120.163 120.300 0.251 0.000 2.553 56 Y HA 0.799 5.349 4.550 0.000 0.000 0.347 56 Y C 0.116 176.154 175.900 0.229 0.000 1.019 56 Y CA -1.297 56.922 58.100 0.199 0.000 1.032 56 Y CB 3.087 41.610 38.460 0.105 0.000 1.284 56 Y HN 0.584 nan 8.280 nan 0.000 0.466 57 R N 1.156 121.838 120.500 0.302 0.000 2.542 57 R HA 0.638 4.978 4.340 0.000 0.000 0.284 57 R C -2.663 173.677 176.300 0.067 0.000 1.167 57 R CA -0.509 55.683 56.100 0.154 0.000 1.000 57 R CB 1.214 31.549 30.300 0.059 0.000 1.229 57 R HN 0.508 nan 8.270 nan 0.000 0.416 58 V N 5.095 125.028 119.914 0.031 0.000 2.540 58 V HA 0.491 4.611 4.120 0.000 0.000 0.302 58 V C -0.458 175.622 176.094 -0.024 0.000 1.035 58 V CA -0.744 61.550 62.300 -0.010 0.000 0.873 58 V CB 1.971 33.772 31.823 -0.037 0.000 0.992 58 V HN 0.673 nan 8.190 nan 0.000 0.428 59 Q N 3.407 123.187 119.800 -0.034 0.000 2.462 59 Q HA 0.350 4.690 4.340 0.000 0.000 0.247 59 Q C 0.664 176.648 176.000 -0.026 0.000 1.044 59 Q CA -0.495 55.281 55.803 -0.045 0.000 0.803 59 Q CB 1.380 30.078 28.738 -0.068 0.000 1.190 59 Q HN 0.851 nan 8.270 nan 0.000 0.507 60 H N 3.112 122.114 119.070 -0.113 0.000 2.253 60 H HA -0.050 4.506 4.556 0.000 0.000 0.299 60 H C -0.172 175.078 175.328 -0.129 0.000 1.064 60 H CA 1.461 57.440 56.048 -0.115 0.000 1.264 60 H CB 0.683 30.355 29.762 -0.149 0.000 1.371 60 H HN 0.491 nan 8.280 nan 0.000 0.493 61 N N -1.063 117.443 118.700 -0.322 0.000 2.240 61 N HA 0.204 4.944 4.740 0.000 0.000 0.302 61 N C -0.460 174.945 175.510 -0.175 0.000 1.106 61 N CA -0.385 52.461 53.050 -0.340 0.000 0.778 61 N CB 2.407 40.636 38.487 -0.429 0.000 1.431 61 N HN 0.032 nan 8.380 nan 0.000 0.479 62 V N 1.467 121.303 119.914 -0.130 0.000 3.337 62 V HA 0.338 4.458 4.120 0.000 0.000 0.307 62 V C 1.590 177.656 176.094 -0.047 0.000 1.505 62 V CA 0.390 62.646 62.300 -0.073 0.000 1.072 62 V CB -0.114 31.675 31.823 -0.055 0.000 0.929 62 V HN 0.742 nan 8.190 nan 0.000 0.455 63 A N 1.749 124.534 122.820 -0.059 0.000 1.873 63 A HA -0.221 4.099 4.320 0.000 0.000 0.218 63 A C 2.288 179.866 177.584 -0.009 0.000 1.193 63 A CA 2.067 54.085 52.037 -0.031 0.000 0.629 63 A CB -0.379 18.605 19.000 -0.027 0.000 0.826 63 A HN 0.488 nan 8.150 nan 0.000 0.447 64 R N -0.737 119.759 120.500 -0.008 0.000 2.235 64 R HA 0.193 4.533 4.340 0.000 0.000 0.213 64 R C 1.013 177.314 176.300 0.002 0.000 1.059 64 R CA 0.782 56.884 56.100 0.004 0.000 0.997 64 R CB -0.276 30.024 30.300 0.001 0.000 0.884 64 R HN 0.630 nan 8.270 nan 0.000 0.462 65 G N 0.531 109.338 108.800 0.012 0.000 2.333 65 G HA2 0.041 4.001 3.960 0.000 0.000 0.288 65 G HA3 0.041 4.001 3.960 0.000 0.000 0.288 65 G C -3.095 171.838 174.900 0.054 0.000 1.286 65 G CA -1.077 44.049 45.100 0.044 0.000 0.865 65 G HN -0.208 nan 8.290 nan 0.000 0.506 66 P HA 0.440 nan 4.420 nan 0.000 0.271 66 P C 0.277 177.556 177.300 -0.036 0.000 1.216 66 P CA 0.570 63.688 63.100 0.030 0.000 0.771 66 P CB 1.014 32.725 31.700 0.019 0.000 0.864 67 A N 3.375 126.139 122.820 -0.094 0.000 2.540 67 A HA 0.176 4.496 4.320 0.000 0.000 0.239 67 A C 0.430 177.861 177.584 -0.256 0.000 1.061 67 A CA 0.590 52.544 52.037 -0.140 0.000 0.758 67 A CB -0.476 18.449 19.000 -0.124 0.000 0.991 67 A HN 0.471 nan 8.150 nan 0.000 0.502 68 K N 1.078 121.307 120.400 -0.284 0.000 2.426 68 K HA 0.670 4.991 4.320 0.000 0.000 0.254 68 K C -0.404 176.038 176.600 -0.264 0.000 0.936 68 K CA 0.445 56.472 56.287 -0.432 0.000 0.801 68 K CB 1.759 33.818 32.500 -0.735 0.000 1.139 68 K HN 1.376 nan 8.250 nan 0.000 0.424 69 G N 1.376 110.040 108.800 -0.228 0.000 2.498 69 G HA2 0.444 4.404 3.960 0.000 0.000 0.301 69 G HA3 0.444 4.404 3.960 0.000 0.000 0.301 69 G C -0.534 174.311 174.900 -0.091 0.000 1.577 69 G CA -0.385 44.638 45.100 -0.129 0.000 0.868 69 G HN 0.717 nan 8.290 nan 0.000 0.599 70 G N -0.651 108.117 108.800 -0.054 0.000 2.684 70 G HA2 0.534 4.494 3.960 0.000 0.000 0.255 70 G HA3 0.534 4.494 3.960 0.000 0.000 0.255 70 G C -0.098 174.805 174.900 0.005 0.000 1.219 70 G CA -0.463 44.620 45.100 -0.028 0.000 0.901 70 G HN 0.726 nan 8.290 nan 0.000 0.548 71 I N -0.248 120.328 120.570 0.011 0.000 2.509 71 I HA 0.406 4.576 4.170 0.000 0.000 0.293 71 I C -0.058 176.031 176.117 -0.047 0.000 1.020 71 I CA -0.666 60.651 61.300 0.027 0.000 1.088 71 I CB 2.390 40.438 38.000 0.079 0.000 1.267 71 I HN 0.373 nan 8.210 nan 0.000 0.430 72 R N 4.612 125.108 120.500 -0.006 0.000 2.589 72 R HA 0.511 4.851 4.340 0.000 0.000 0.293 72 R C -1.473 174.911 176.300 0.140 0.000 0.963 72 R CA -0.548 55.572 56.100 0.033 0.000 0.905 72 R CB 1.945 32.306 30.300 0.102 0.000 1.144 72 R HN 0.512 nan 8.270 nan 0.000 0.459 73 Y N 2.880 123.252 120.300 0.120 0.000 2.575 73 Y HA 0.292 4.842 4.550 0.000 0.000 0.326 73 Y C -0.219 175.778 175.900 0.161 0.000 0.979 73 Y CA -0.687 57.473 58.100 0.102 0.000 1.286 73 Y CB 0.994 39.501 38.460 0.078 0.000 1.093 73 Y HN 0.408 nan 8.280 nan 0.000 0.501 74 H N 5.093 124.289 119.070 0.211 0.000 2.954 74 H HA 0.168 4.724 4.556 0.000 0.000 0.361 74 H C -2.367 173.029 175.328 0.113 0.000 1.122 74 H CA -2.016 54.116 56.048 0.140 0.000 1.217 74 H CB 3.328 33.163 29.762 0.122 0.000 1.776 74 H HN 0.257 nan 8.280 nan 0.000 0.533 75 P HA -0.051 nan 4.420 nan 0.000 0.225 75 P C -0.333 177.045 177.300 0.131 0.000 1.148 75 P CA 0.870 63.957 63.100 -0.022 0.000 0.779 75 P CB 0.601 32.226 31.700 -0.124 0.000 0.780 76 D N 0.235 120.869 120.400 0.391 0.000 2.460 76 D HA 0.303 4.943 4.640 0.000 0.000 0.268 76 D C -0.750 175.720 176.300 0.283 0.000 1.153 76 D CA -0.272 53.926 54.000 0.331 0.000 0.929 76 D CB 1.455 42.443 40.800 0.314 0.000 1.015 76 D HN -0.125 nan 8.370 nan 0.000 0.502 77 V N 1.660 121.712 119.914 0.231 0.000 2.525 77 V HA 0.408 4.528 4.120 0.000 0.000 0.299 77 V C 0.000 176.214 176.094 0.199 0.000 1.034 77 V CA -0.469 61.953 62.300 0.205 0.000 0.863 77 V CB 2.220 34.204 31.823 0.268 0.000 0.999 77 V HN 0.349 nan 8.190 nan 0.000 0.423 78 T N 3.848 118.450 114.554 0.079 0.000 2.888 78 T HA 0.406 4.757 4.350 0.000 0.000 0.284 78 T C 0.799 175.357 174.700 -0.236 0.000 1.017 78 T CA -0.558 61.524 62.100 -0.029 0.000 1.022 78 T CB 2.087 70.940 68.868 -0.024 0.000 1.013 78 T HN 0.379 nan 8.240 nan 0.000 0.465 79 L N 1.447 122.358 121.223 -0.521 0.000 2.129 79 L HA -0.076 4.264 4.340 0.000 0.000 0.212 79 L C 1.873 178.536 176.870 -0.345 0.000 1.087 79 L CA 2.000 56.427 54.840 -0.689 0.000 0.757 79 L CB -0.995 40.673 42.059 -0.651 0.000 0.896 79 L HN 0.888 nan 8.230 nan 0.000 0.434 80 D N -0.850 119.416 120.400 -0.224 0.000 2.097 80 D HA -0.272 4.368 4.640 0.000 0.000 0.195 80 D C 2.148 178.400 176.300 -0.080 0.000 0.989 80 D CA 1.487 55.403 54.000 -0.141 0.000 0.827 80 D CB -0.124 40.637 40.800 -0.065 0.000 0.966 80 D HN 0.594 nan 8.370 nan 0.000 0.456 81 E N -0.403 119.767 120.200 -0.050 0.000 2.110 81 E HA -0.156 4.194 4.350 0.000 0.000 0.193 81 E C 2.088 178.693 176.600 0.008 0.000 0.988 81 E CA 0.866 57.271 56.400 0.008 0.000 0.804 81 E CB 0.075 29.787 29.700 0.019 0.000 0.745 81 E HN 0.191 nan 8.360 nan 0.000 0.458 82 V N 1.431 121.318 119.914 -0.045 0.000 2.261 82 V HA -0.251 3.869 4.120 0.000 0.000 0.246 82 V C 2.433 178.494 176.094 -0.055 0.000 1.047 82 V CA 1.981 64.263 62.300 -0.029 0.000 1.015 82 V CB -0.431 31.357 31.823 -0.058 0.000 0.642 82 V HN 0.245 nan 8.190 nan 0.000 0.446 83 K N -0.131 120.179 120.400 -0.151 0.000 2.009 83 K HA -0.218 4.102 4.320 0.000 0.000 0.210 83 K C 2.317 178.858 176.600 -0.098 0.000 1.049 83 K CA 1.643 57.789 56.287 -0.236 0.000 0.929 83 K CB -0.513 31.648 32.500 -0.565 0.000 0.714 83 K HN 0.469 nan 8.250 nan 0.000 0.440 84 A N 1.566 124.387 122.820 0.001 0.000 1.892 84 A HA -0.203 4.117 4.320 0.000 0.000 0.218 84 A C 2.169 179.779 177.584 0.042 0.000 1.188 84 A CA 1.549 53.614 52.037 0.047 0.000 0.631 84 A CB -0.800 18.262 19.000 0.104 0.000 0.822 84 A HN 0.206 nan 8.150 nan 0.000 0.447 85 L N -1.023 120.296 121.223 0.159 0.000 2.017 85 L HA -0.211 4.129 4.340 0.000 0.000 0.208 85 L C 3.155 180.124 176.870 0.164 0.000 1.073 85 L CA 1.169 56.167 54.840 0.263 0.000 0.745 85 L CB -0.679 41.483 42.059 0.172 0.000 0.894 85 L HN 0.461 nan 8.230 nan 0.000 0.432 86 A N -0.062 122.789 122.820 0.051 0.000 1.883 86 A HA -0.289 4.031 4.320 0.000 0.000 0.217 86 A C 2.193 179.710 177.584 -0.112 0.000 1.186 86 A CA 1.647 53.677 52.037 -0.012 0.000 0.624 86 A CB -0.961 18.028 19.000 -0.019 0.000 0.822 86 A HN 0.395 nan 8.150 nan 0.000 0.444 87 F N -0.639 119.074 119.950 -0.395 0.000 2.087 87 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 87 F C 2.037 177.480 175.800 -0.596 0.000 1.100 87 F CA 2.043 59.574 58.000 -0.781 0.000 1.226 87 F CB -0.518 38.080 39.000 -0.670 0.000 0.983 87 F HN 0.450 nan 8.300 nan 0.000 0.479 88 W N -0.687 120.608 121.300 -0.008 0.000 2.381 88 W HA -0.244 4.417 4.660 0.000 0.000 0.301 88 W C 2.437 178.874 176.519 -0.136 0.000 1.205 88 W CA 0.367 57.743 57.345 0.051 0.000 1.285 88 W CB -0.497 29.073 29.460 0.183 0.000 1.133 88 W HN -0.047 nan 8.180 nan 0.000 0.521 89 M N 0.462 120.109 119.600 0.078 0.000 2.089 89 M HA -0.228 4.252 4.480 0.000 0.000 0.257 89 M C 1.887 178.099 176.300 -0.147 0.000 1.071 89 M CA 2.170 57.456 55.300 -0.022 0.000 1.096 89 M CB -1.916 30.652 32.600 -0.053 0.000 1.330 89 M HN -0.018 nan 8.290 nan 0.000 0.403 90 T N -0.817 113.503 114.554 -0.390 0.000 2.665 90 T HA -0.231 4.119 4.350 0.000 0.000 0.268 90 T C 1.556 176.006 174.700 -0.417 0.000 1.035 90 T CA 1.981 63.747 62.100 -0.556 0.000 1.151 90 T CB -0.629 67.640 68.868 -0.999 0.000 0.862 90 T HN 0.585 nan 8.240 nan 0.000 0.438 91 W N 1.322 122.621 121.300 -0.002 0.000 2.436 91 W HA 0.182 4.842 4.660 0.000 0.000 0.284 91 W C 2.602 179.130 176.519 0.015 0.000 1.225 91 W CA -0.073 57.295 57.345 0.038 0.000 1.271 91 W CB -0.117 29.436 29.460 0.156 0.000 1.114 91 W HN 0.135 nan 8.180 nan 0.000 0.559 92 K N 0.842 121.353 120.400 0.185 0.000 2.026 92 K HA -0.188 4.132 4.320 0.000 0.000 0.208 92 K C 2.221 178.850 176.600 0.048 0.000 1.048 92 K CA 2.326 58.665 56.287 0.087 0.000 0.929 92 K CB -0.464 32.077 32.500 0.069 0.000 0.713 92 K HN 0.157 nan 8.250 nan 0.000 0.439 93 T N -1.086 113.486 114.554 0.031 0.000 2.708 93 T HA -0.091 4.259 4.350 0.000 0.000 0.266 93 T C 2.052 176.762 174.700 0.017 0.000 1.037 93 T CA 1.182 63.297 62.100 0.026 0.000 1.146 93 T CB -0.544 68.347 68.868 0.038 0.000 0.865 93 T HN 0.237 nan 8.240 nan 0.000 0.435 94 A N 1.022 123.870 122.820 0.047 0.000 1.883 94 A HA 0.017 4.337 4.320 0.000 0.000 0.217 94 A C 2.668 180.287 177.584 0.057 0.000 1.186 94 A CA 1.701 53.781 52.037 0.070 0.000 0.624 94 A CB -1.352 17.745 19.000 0.162 0.000 0.822 94 A HN 0.443 nan 8.150 nan 0.000 0.444 95 V N -0.541 119.410 119.914 0.062 0.000 2.594 95 V HA -0.196 3.924 4.120 0.000 0.000 0.253 95 V C 2.145 178.244 176.094 0.009 0.000 1.069 95 V CA 2.149 64.462 62.300 0.020 0.000 1.082 95 V CB -0.439 31.373 31.823 -0.017 0.000 0.680 95 V HN 0.529 nan 8.190 nan 0.000 0.469 96 M N -0.884 118.720 119.600 0.005 0.000 2.556 96 M HA 0.166 4.646 4.480 0.000 0.000 0.245 96 M C 1.091 177.379 176.300 -0.020 0.000 1.128 96 M CA 0.691 55.990 55.300 -0.001 0.000 1.069 96 M CB -1.049 31.545 32.600 -0.009 0.000 1.469 96 M HN 0.488 nan 8.290 nan 0.000 0.494 97 D N 1.142 121.524 120.400 -0.029 0.000 2.835 97 D HA -0.159 4.481 4.640 0.000 0.000 0.230 97 D C -0.994 175.221 176.300 -0.143 0.000 1.130 97 D CA 0.377 54.348 54.000 -0.049 0.000 0.738 97 D CB -1.212 39.579 40.800 -0.014 0.000 1.090 97 D HN 0.322 nan 8.370 nan 0.000 0.433 98 L N -0.270 120.818 121.223 -0.225 0.000 2.325 98 L HA 0.512 4.852 4.340 0.000 0.000 0.279 98 L C -1.248 175.328 176.870 -0.490 0.000 1.054 98 L CA -1.909 52.615 54.840 -0.528 0.000 0.804 98 L CB 0.851 42.560 42.059 -0.584 0.000 1.200 98 L HN -0.161 nan 8.230 nan 0.000 0.436 99 P HA 0.049 nan 4.420 nan 0.000 0.277 99 P C -0.591 176.445 177.300 -0.441 0.000 1.617 99 P CA 0.617 63.474 63.100 -0.404 0.000 0.829 99 P CB -0.436 31.123 31.700 -0.236 0.000 1.774 100 F N -0.669 119.178 119.950 -0.172 0.000 2.572 100 F HA 0.656 5.183 4.527 0.000 0.000 0.342 100 F C 1.591 177.297 175.800 -0.156 0.000 1.064 100 F CA -1.009 56.872 58.000 -0.199 0.000 1.008 100 F CB 1.514 40.369 39.000 -0.242 0.000 1.303 100 F HN -0.077 nan 8.300 nan 0.000 0.492 101 G N -0.652 108.195 108.800 0.078 0.000 3.039 101 G HA2 0.560 4.520 3.960 0.000 0.000 0.159 101 G HA3 0.560 4.520 3.960 0.000 0.000 0.159 101 G C -1.110 173.736 174.900 -0.091 0.000 1.284 101 G CA -0.734 44.342 45.100 -0.040 0.000 0.996 101 G HN 0.852 nan 8.290 nan 0.000 0.592 102 G N -1.177 107.551 108.800 -0.119 0.000 2.702 102 G HA2 0.655 4.615 3.960 0.000 0.000 0.295 102 G HA3 0.655 4.615 3.960 0.000 0.000 0.295 102 G C -0.493 174.357 174.900 -0.083 0.000 1.446 102 G CA 0.261 45.289 45.100 -0.121 0.000 0.983 102 G HN 1.073 nan 8.290 nan 0.000 0.520 103 G N 0.860 109.605 108.800 -0.091 0.000 2.690 103 G HA2 0.737 4.697 3.960 0.000 0.000 0.293 103 G HA3 0.737 4.697 3.960 0.000 0.000 0.293 103 G C -1.596 173.273 174.900 -0.051 0.000 1.399 103 G CA -0.638 44.418 45.100 -0.073 0.000 0.890 103 G HN 0.521 nan 8.290 nan 0.000 0.485 104 K N -1.131 119.256 120.400 -0.021 0.000 2.597 104 K HA 0.771 5.091 4.320 0.000 0.000 0.282 104 K C -0.664 175.971 176.600 0.058 0.000 0.975 104 K CA -0.300 55.995 56.287 0.013 0.000 0.867 104 K CB 2.191 34.707 32.500 0.027 0.000 1.465 104 K HN 1.320 nan 8.250 nan 0.000 0.417 105 G N -0.694 108.168 108.800 0.102 0.000 2.646 105 G HA2 0.702 4.662 3.960 0.000 0.000 0.291 105 G HA3 0.702 4.662 3.960 0.000 0.000 0.291 105 G C -1.119 173.895 174.900 0.191 0.000 1.445 105 G CA -0.036 45.183 45.100 0.199 0.000 0.814 105 G HN 0.702 nan 8.290 nan 0.000 0.495 106 G N -1.937 106.990 108.800 0.212 0.000 2.550 106 G HA2 0.694 4.655 3.960 0.000 0.000 0.293 106 G HA3 0.694 4.655 3.960 0.000 0.000 0.293 106 G C -2.046 172.837 174.900 -0.027 0.000 1.402 106 G CA -0.322 44.849 45.100 0.119 0.000 0.784 106 G HN 1.353 nan 8.290 nan 0.000 0.482 107 V N 0.599 120.549 119.914 0.060 0.000 2.623 107 V HA 0.478 4.598 4.120 0.000 0.000 0.304 107 V C -0.009 176.148 176.094 0.106 0.000 1.054 107 V CA -0.866 61.427 62.300 -0.011 0.000 0.882 107 V CB 1.873 33.683 31.823 -0.022 0.000 1.002 107 V HN 0.694 nan 8.190 nan 0.000 0.424 108 R N 2.764 123.298 120.500 0.056 0.000 2.459 108 R HA 0.503 4.843 4.340 0.000 0.000 0.301 108 R C -0.927 175.445 176.300 0.120 0.000 1.286 108 R CA 0.217 56.376 56.100 0.098 0.000 1.046 108 R CB 0.661 30.994 30.300 0.054 0.000 1.071 108 R HN 0.489 nan 8.270 nan 0.000 0.512 109 V N 2.614 122.595 119.914 0.112 0.000 3.036 109 V HA 0.097 4.217 4.120 0.000 0.000 0.288 109 V C -1.783 174.323 176.094 0.021 0.000 1.407 109 V CA -0.969 61.400 62.300 0.114 0.000 0.983 109 V CB 2.543 34.413 31.823 0.079 0.000 1.128 109 V HN 0.552 nan 8.190 nan 0.000 0.439 110 D N 7.281 127.687 120.400 0.010 0.000 2.443 110 D HA 0.485 5.125 4.640 0.000 0.000 0.221 110 D C -1.335 174.954 176.300 -0.018 0.000 1.097 110 D CA -2.079 51.900 54.000 -0.036 0.000 0.865 110 D CB 2.116 42.887 40.800 -0.048 0.000 1.034 110 D HN 0.371 nan 8.370 nan 0.000 0.511 111 P HA -0.219 nan 4.420 nan 0.000 0.217 111 P C 0.921 178.226 177.300 0.008 0.000 1.151 111 P CA 1.160 64.254 63.100 -0.010 0.000 0.849 111 P CB 0.335 32.068 31.700 0.056 0.000 0.787 112 K N -0.116 120.290 120.400 0.011 0.000 2.281 112 K HA -0.110 4.210 4.320 0.000 0.000 0.203 112 K C 1.681 178.288 176.600 0.011 0.000 1.046 112 K CA 0.940 57.235 56.287 0.013 0.000 0.938 112 K CB -0.153 32.352 32.500 0.007 0.000 0.737 112 K HN 0.250 nan 8.250 nan 0.000 0.458 113 K N 0.444 120.850 120.400 0.011 0.000 2.404 113 K HA 0.165 4.485 4.320 0.000 0.000 0.194 113 K C 0.578 177.194 176.600 0.027 0.000 1.023 113 K CA 0.215 56.512 56.287 0.018 0.000 1.094 113 K CB 0.356 32.869 32.500 0.021 0.000 0.841 113 K HN 0.118 nan 8.250 nan 0.000 0.523 114 L N 1.425 122.659 121.223 0.018 0.000 2.331 114 L HA 0.211 4.551 4.340 0.000 0.000 0.275 114 L C 0.498 177.374 176.870 0.010 0.000 1.022 114 L CA -0.807 54.040 54.840 0.011 0.000 0.812 114 L CB 1.803 43.845 42.059 -0.028 0.000 1.257 114 L HN -0.032 nan 8.230 nan 0.000 0.435 115 S N 1.184 116.888 115.700 0.007 0.000 2.584 115 S HA 0.197 4.667 4.470 0.000 0.000 0.273 115 S C 0.939 175.543 174.600 0.007 0.000 1.311 115 S CA -0.593 57.612 58.200 0.009 0.000 1.034 115 S CB 1.581 64.783 63.200 0.004 0.000 0.939 115 S HN 0.692 nan 8.310 nan 0.000 0.513 116 R N 3.025 123.545 120.500 0.033 0.000 2.159 116 R HA -0.238 4.102 4.340 0.000 0.000 0.252 116 R C 1.516 177.813 176.300 -0.005 0.000 1.144 116 R CA 2.804 58.947 56.100 0.071 0.000 0.961 116 R CB -1.202 29.152 30.300 0.090 0.000 0.877 116 R HN 0.866 nan 8.270 nan 0.000 0.444 117 N N 0.006 118.678 118.700 -0.046 0.000 2.080 117 N HA -0.125 4.615 4.740 0.000 0.000 0.189 117 N C 1.560 176.974 175.510 -0.160 0.000 1.036 117 N CA 1.793 54.771 53.050 -0.119 0.000 0.846 117 N CB -0.226 38.216 38.487 -0.075 0.000 1.015 117 N HN 0.391 nan 8.380 nan 0.000 0.423 118 E N 0.226 120.368 120.200 -0.097 0.000 2.070 118 E HA -0.217 4.133 4.350 0.000 0.000 0.197 118 E C 1.901 178.404 176.600 -0.162 0.000 1.004 118 E CA 0.895 57.233 56.400 -0.103 0.000 0.805 118 E CB -0.230 29.440 29.700 -0.050 0.000 0.744 118 E HN 0.207 nan 8.360 nan 0.000 0.451 119 L N 1.437 122.581 121.223 -0.131 0.000 1.990 119 L HA -0.277 4.063 4.340 0.000 0.000 0.213 119 L C 2.444 179.195 176.870 -0.199 0.000 1.072 119 L CA 2.246 57.018 54.840 -0.112 0.000 0.755 119 L CB -0.362 41.729 42.059 0.054 0.000 0.889 119 L HN 0.144 nan 8.230 nan 0.000 0.432 120 E N -0.640 119.247 120.200 -0.523 0.000 2.058 120 E HA -0.306 4.044 4.350 0.000 0.000 0.194 120 E C 2.360 178.593 176.600 -0.612 0.000 0.997 120 E CA 1.457 57.104 56.400 -1.254 0.000 0.801 120 E CB -0.196 28.454 29.700 -1.749 0.000 0.746 120 E HN 0.472 nan 8.360 nan 0.000 0.450 121 R N 0.219 120.488 120.500 -0.385 0.000 2.080 121 R HA -0.154 4.186 4.340 0.000 0.000 0.236 121 R C 2.772 179.005 176.300 -0.112 0.000 1.137 121 R CA 1.619 57.592 56.100 -0.213 0.000 0.943 121 R CB -0.561 29.651 30.300 -0.147 0.000 0.846 121 R HN 0.331 nan 8.270 nan 0.000 0.431 122 L N 0.404 121.551 121.223 -0.126 0.000 2.042 122 L HA -0.215 4.125 4.340 0.000 0.000 0.210 122 L C 2.185 179.102 176.870 0.078 0.000 1.076 122 L CA 1.732 56.537 54.840 -0.058 0.000 0.749 122 L CB -0.307 41.559 42.059 -0.322 0.000 0.893 122 L HN 0.076 nan 8.230 nan 0.000 0.432 123 S N -0.260 115.503 115.700 0.105 0.000 2.353 123 S HA -0.193 4.277 4.470 0.000 0.000 0.222 123 S C 1.952 176.784 174.600 0.388 0.000 1.035 123 S CA 1.644 60.073 58.200 0.381 0.000 1.025 123 S CB -0.273 63.127 63.200 0.333 0.000 0.902 123 S HN 0.476 nan 8.310 nan 0.000 0.440 124 R N 0.535 121.125 120.500 0.150 0.000 2.070 124 R HA -0.066 4.274 4.340 0.000 0.000 0.233 124 R C 2.561 178.935 176.300 0.124 0.000 1.137 124 R CA 1.472 57.661 56.100 0.148 0.000 0.945 124 R CB -0.364 29.943 30.300 0.010 0.000 0.845 124 R HN 0.146 nan 8.270 nan 0.000 0.430 125 R N 1.021 121.545 120.500 0.041 0.000 2.083 125 R HA -0.172 4.168 4.340 0.000 0.000 0.237 125 R C 1.955 178.109 176.300 -0.243 0.000 1.137 125 R CA 1.613 57.689 56.100 -0.040 0.000 0.951 125 R CB -0.991 29.340 30.300 0.052 0.000 0.851 125 R HN 0.198 nan 8.270 nan 0.000 0.434 126 F N 0.032 119.636 119.950 -0.576 0.000 2.046 126 F HA -0.161 4.366 4.527 0.000 0.000 0.297 126 F C 1.896 177.541 175.800 -0.259 0.000 1.123 126 F CA 1.614 59.142 58.000 -0.785 0.000 1.199 126 F CB -1.057 37.675 39.000 -0.448 0.000 0.972 126 F HN 0.093 nan 8.300 nan 0.000 0.474 127 F N 0.813 120.515 119.950 -0.414 0.000 2.250 127 F HA -0.158 4.370 4.527 0.000 0.000 0.301 127 F C 2.520 178.133 175.800 -0.312 0.000 1.077 127 F CA 1.673 59.371 58.000 -0.503 0.000 1.348 127 F CB -0.677 38.236 39.000 -0.146 0.000 1.040 127 F HN -0.016 nan 8.300 nan 0.000 0.509 128 S N -0.770 114.872 115.700 -0.096 0.000 2.436 128 S HA -0.088 4.382 4.470 0.000 0.000 0.228 128 S C 1.872 176.370 174.600 -0.171 0.000 1.014 128 S CA 0.617 58.766 58.200 -0.084 0.000 0.950 128 S CB -0.114 63.077 63.200 -0.014 0.000 0.784 128 S HN 0.355 nan 8.310 nan 0.000 0.504 129 E N 1.508 121.555 120.200 -0.255 0.000 2.076 129 E HA 0.004 4.354 4.350 0.000 0.000 0.190 129 E C 1.842 178.279 176.600 -0.272 0.000 0.979 129 E CA 0.764 57.039 56.400 -0.210 0.000 0.807 129 E CB -0.183 29.415 29.700 -0.172 0.000 0.761 129 E HN 0.713 nan 8.360 nan 0.000 0.454 130 I N -0.934 119.339 120.570 -0.494 0.000 3.735 130 I HA 0.072 4.242 4.170 0.000 0.000 0.310 130 I C 2.163 177.974 176.117 -0.511 0.000 1.270 130 I CA 0.313 61.312 61.300 -0.502 0.000 1.207 130 I CB -0.056 37.512 38.000 -0.719 0.000 1.013 130 I HN -0.106 nan 8.210 nan 0.000 0.452 131 Q N 1.578 121.104 119.800 -0.457 0.000 2.170 131 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 131 Q C 2.076 177.966 176.000 -0.183 0.000 0.976 131 Q CA 2.146 57.746 55.803 -0.338 0.000 0.858 131 Q CB 0.045 28.695 28.738 -0.147 0.000 0.907 131 Q HN 0.579 nan 8.270 nan 0.000 0.433 132 V N 0.615 120.439 119.914 -0.150 0.000 2.453 132 V HA -0.280 3.840 4.120 0.000 0.000 0.252 132 V C 2.028 178.066 176.094 -0.093 0.000 1.068 132 V CA 1.776 64.022 62.300 -0.090 0.000 1.070 132 V CB -0.444 31.334 31.823 -0.075 0.000 0.664 132 V HN 0.432 nan 8.190 nan 0.000 0.461 133 I N -0.690 119.793 120.570 -0.145 0.000 3.265 133 I HA 0.135 4.305 4.170 0.000 0.000 0.282 133 I C 1.147 177.166 176.117 -0.163 0.000 1.207 133 I CA 0.169 61.390 61.300 -0.133 0.000 1.449 133 I CB 0.211 38.132 38.000 -0.131 0.000 1.121 133 I HN 0.262 nan 8.210 nan 0.000 0.442 134 I N -0.370 120.045 120.570 -0.258 0.000 3.276 134 I HA 0.702 4.872 4.170 0.000 0.000 0.306 134 I C 0.432 176.422 176.117 -0.211 0.000 1.060 134 I CA -0.446 60.670 61.300 -0.307 0.000 1.133 134 I CB 0.215 37.886 38.000 -0.549 0.000 1.473 134 I HN 0.038 nan 8.210 nan 0.000 0.649 135 G N 0.849 109.507 108.800 -0.238 0.000 2.358 135 G HA2 0.245 4.205 3.960 0.000 0.000 0.301 135 G HA3 0.245 4.205 3.960 0.000 0.000 0.301 135 G C -2.750 172.096 174.900 -0.090 0.000 1.539 135 G CA -0.472 44.575 45.100 -0.090 0.000 0.893 135 G HN 0.427 nan 8.290 nan 0.000 0.636 136 P HA -0.018 nan 4.420 nan 0.000 0.226 136 P C 0.286 177.473 177.300 -0.189 0.000 1.153 136 P CA 1.170 64.221 63.100 -0.082 0.000 0.777 136 P CB 0.081 31.710 31.700 -0.119 0.000 0.794 137 Y N -1.653 118.778 120.300 0.219 0.000 2.641 137 Y HA 0.268 4.818 4.550 0.000 0.000 0.248 137 Y C 1.673 177.628 175.900 0.093 0.000 1.170 137 Y CA -0.431 57.795 58.100 0.210 0.000 1.201 137 Y CB 0.309 38.889 38.460 0.200 0.000 1.232 137 Y HN -0.096 nan 8.280 nan 0.000 0.537 138 N N -0.679 118.085 118.700 0.106 0.000 2.804 138 N HA 0.047 4.787 4.740 0.000 0.000 0.250 138 N C -0.820 174.648 175.510 -0.070 0.000 1.024 138 N CA 0.617 53.683 53.050 0.026 0.000 0.995 138 N CB 0.730 39.223 38.487 0.010 0.000 1.690 138 N HN 0.001 nan 8.380 nan 0.000 0.515 139 D N 0.179 120.496 120.400 -0.138 0.000 2.890 139 D HA 0.381 5.021 4.640 0.000 0.000 0.233 139 D C -1.320 174.822 176.300 -0.264 0.000 1.306 139 D CA -0.275 53.601 54.000 -0.206 0.000 0.929 139 D CB 1.360 42.040 40.800 -0.200 0.000 1.512 139 D HN -0.007 nan 8.370 nan 0.000 0.568 140 I N 5.142 125.512 120.570 -0.334 0.000 2.412 140 I HA 0.287 4.457 4.170 0.000 0.000 0.279 140 I C -2.142 173.808 176.117 -0.278 0.000 1.063 140 I CA -1.849 59.246 61.300 -0.341 0.000 1.193 140 I CB 1.359 39.028 38.000 -0.552 0.000 1.370 140 I HN 0.046 nan 8.210 nan 0.000 0.479 141 P HA 0.289 nan 4.420 nan 0.000 0.271 141 P C -0.484 176.761 177.300 -0.091 0.000 1.244 141 P CA -0.150 62.891 63.100 -0.098 0.000 0.793 141 P CB 0.867 32.572 31.700 0.008 0.000 0.984 142 A N 0.651 123.433 122.820 -0.063 0.000 2.581 142 A HA 0.715 5.035 4.320 0.000 0.000 0.290 142 A C -2.897 174.677 177.584 -0.016 0.000 1.119 142 A CA -1.455 50.553 52.037 -0.048 0.000 0.670 142 A CB 0.658 19.604 19.000 -0.089 0.000 1.280 142 A HN 0.325 nan 8.150 nan 0.000 0.425 143 P HA 0.382 nan 4.420 nan 0.000 0.272 143 P C -0.951 176.333 177.300 -0.027 0.000 1.230 143 P CA 0.605 63.688 63.100 -0.029 0.000 0.788 143 P CB 1.314 32.986 31.700 -0.047 0.000 0.949 144 D N 0.084 120.467 120.400 -0.029 0.000 4.224 144 D HA 0.124 4.764 4.640 0.000 0.000 0.305 144 D C -0.861 175.443 176.300 0.005 0.000 1.612 144 D CA -0.295 53.700 54.000 -0.008 0.000 0.977 144 D CB 0.489 41.289 40.800 0.000 0.000 1.419 144 D HN -0.019 nan 8.370 nan 0.000 0.661 145 V N 2.916 122.848 119.914 0.030 0.000 2.446 145 V HA 0.211 4.331 4.120 0.000 0.000 0.276 145 V C 0.234 176.388 176.094 0.099 0.000 1.030 145 V CA 0.211 62.552 62.300 0.068 0.000 1.033 145 V CB 0.010 31.885 31.823 0.087 0.000 0.993 145 V HN 0.587 nan 8.190 nan 0.000 0.477 146 N N 2.124 120.883 118.700 0.097 0.000 2.829 146 N HA -0.143 4.597 4.740 0.000 0.000 0.250 146 N C 0.211 175.785 175.510 0.106 0.000 1.090 146 N CA 1.422 54.550 53.050 0.130 0.000 0.781 146 N CB -1.064 37.553 38.487 0.216 0.000 1.124 146 N HN 1.003 nan 8.380 nan 0.000 0.559 147 T N -1.842 112.713 114.554 0.002 0.000 2.912 147 T HA 0.730 5.080 4.350 0.000 0.000 0.299 147 T C -0.152 174.500 174.700 -0.081 0.000 1.052 147 T CA -0.895 61.157 62.100 -0.080 0.000 0.996 147 T CB 2.949 71.698 68.868 -0.198 0.000 1.070 147 T HN 0.260 nan 8.240 nan 0.000 0.465 148 N N 0.743 119.364 118.700 -0.131 0.000 3.157 148 N HA 0.584 5.324 4.740 0.000 0.000 0.291 148 N C 1.351 176.739 175.510 -0.203 0.000 1.515 148 N CA -0.534 52.434 53.050 -0.136 0.000 0.807 148 N CB 0.624 39.041 38.487 -0.116 0.000 1.672 148 N HN 0.696 nan 8.380 nan 0.000 0.592 149 A N -0.049 122.666 122.820 -0.175 0.000 1.958 149 A HA -0.247 4.073 4.320 0.000 0.000 0.221 149 A C 1.254 178.648 177.584 -0.316 0.000 1.178 149 A CA 2.389 54.309 52.037 -0.195 0.000 0.642 149 A CB -1.183 17.730 19.000 -0.146 0.000 0.816 149 A HN 0.750 nan 8.150 nan 0.000 0.453 150 D N -0.614 119.553 120.400 -0.389 0.000 2.097 150 D HA -0.092 4.548 4.640 0.000 0.000 0.195 150 D C 2.006 177.662 176.300 -1.073 0.000 0.989 150 D CA 1.487 55.101 54.000 -0.644 0.000 0.827 150 D CB -0.382 40.073 40.800 -0.574 0.000 0.966 150 D HN 0.231 nan 8.370 nan 0.000 0.456 151 V N 1.046 120.440 119.914 -0.866 0.000 2.307 151 V HA -0.188 3.932 4.120 0.000 0.000 0.245 151 V C 2.379 177.991 176.094 -0.803 0.000 1.045 151 V CA 0.873 62.668 62.300 -0.841 0.000 1.024 151 V CB -0.308 31.258 31.823 -0.428 0.000 0.651 151 V HN 0.201 nan 8.190 nan 0.000 0.449 152 I N 0.865 121.116 120.570 -0.531 0.000 2.151 152 I HA -0.294 3.876 4.170 0.000 0.000 0.243 152 I C 2.725 178.666 176.117 -0.293 0.000 1.080 152 I CA 2.114 63.230 61.300 -0.307 0.000 1.339 152 I CB -1.589 36.324 38.000 -0.144 0.000 1.039 152 I HN 0.325 nan 8.210 nan 0.000 0.409 153 A N 0.234 122.850 122.820 -0.339 0.000 1.917 153 A HA -0.236 4.084 4.320 0.000 0.000 0.219 153 A C 2.120 179.628 177.584 -0.126 0.000 1.182 153 A CA 1.618 53.514 52.037 -0.235 0.000 0.633 153 A CB -0.965 17.860 19.000 -0.292 0.000 0.819 153 A HN 0.486 nan 8.150 nan 0.000 0.448 154 W N -0.884 120.281 121.300 -0.224 0.000 2.335 154 W HA -0.159 4.501 4.660 0.000 0.000 0.311 154 W C 2.288 178.707 176.519 -0.167 0.000 1.213 154 W CA 0.774 58.004 57.345 -0.192 0.000 1.274 154 W CB -1.606 27.708 29.460 -0.244 0.000 1.148 154 W HN 0.580 nan 8.180 nan 0.000 0.498 155 Y N -0.443 119.794 120.300 -0.106 0.000 2.053 155 Y HA -0.388 4.162 4.550 0.000 0.000 0.277 155 Y C 2.894 178.612 175.900 -0.303 0.000 1.159 155 Y CA 1.361 59.098 58.100 -0.604 0.000 1.125 155 Y CB -0.947 36.727 38.460 -1.309 0.000 0.969 155 Y HN -0.214 nan 8.280 nan 0.000 0.492 156 M N 0.947 120.539 119.600 -0.013 0.000 2.073 156 M HA -0.304 4.176 4.480 0.000 0.000 0.258 156 M C 1.667 178.061 176.300 0.157 0.000 1.070 156 M CA 2.498 57.853 55.300 0.091 0.000 1.103 156 M CB -0.882 31.750 32.600 0.054 0.000 1.321 156 M HN 0.342 nan 8.290 nan 0.000 0.405 157 D N -0.884 119.591 120.400 0.124 0.000 2.104 157 D HA -0.164 4.476 4.640 0.000 0.000 0.194 157 D C 1.546 177.932 176.300 0.143 0.000 0.994 157 D CA 2.512 56.589 54.000 0.127 0.000 0.830 157 D CB 0.051 40.931 40.800 0.133 0.000 0.959 157 D HN 0.419 nan 8.370 nan 0.000 0.452 158 T N -1.011 113.651 114.554 0.180 0.000 2.652 158 T HA -0.234 4.116 4.350 0.000 0.000 0.267 158 T C 1.598 176.435 174.700 0.228 0.000 1.039 158 T CA 1.512 63.729 62.100 0.196 0.000 1.153 158 T CB -0.860 68.167 68.868 0.264 0.000 0.863 158 T HN 0.337 nan 8.240 nan 0.000 0.428 159 Y N 1.920 122.330 120.300 0.184 0.000 2.128 159 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 159 Y C 2.784 178.704 175.900 0.033 0.000 1.154 159 Y CA 1.614 59.799 58.100 0.141 0.000 1.149 159 Y CB -0.283 38.314 38.460 0.228 0.000 0.976 159 Y HN 0.150 nan 8.280 nan 0.000 0.505 160 S N 0.396 116.148 115.700 0.086 0.000 2.359 160 S HA -0.269 4.201 4.470 0.000 0.000 0.223 160 S C 1.819 176.348 174.600 -0.117 0.000 1.039 160 S CA 1.807 59.977 58.200 -0.050 0.000 1.042 160 S CB -0.384 62.851 63.200 0.059 0.000 0.915 160 S HN 0.458 nan 8.310 nan 0.000 0.439 161 M N 1.247 120.825 119.600 -0.037 0.000 2.394 161 M HA 0.036 4.516 4.480 0.000 0.000 0.264 161 M C 1.375 177.628 176.300 -0.079 0.000 1.073 161 M CA 0.960 56.236 55.300 -0.039 0.000 1.111 161 M CB -1.405 31.197 32.600 0.003 0.000 1.401 161 M HN 0.235 nan 8.290 nan 0.000 0.448 162 N N 0.378 119.010 118.700 -0.114 0.000 2.220 162 N HA -0.041 4.699 4.740 0.000 0.000 0.182 162 N C 1.748 177.113 175.510 -0.241 0.000 1.023 162 N CA 0.942 53.909 53.050 -0.138 0.000 0.856 162 N CB -0.171 38.257 38.487 -0.099 0.000 0.997 162 N HN 0.089 nan 8.380 nan 0.000 0.429 163 V N -0.704 118.944 119.914 -0.444 0.000 2.759 163 V HA 0.094 4.214 4.120 0.000 0.000 0.256 163 V C 1.427 177.277 176.094 -0.406 0.000 1.080 163 V CA 1.329 63.307 62.300 -0.536 0.000 1.101 163 V CB -0.962 30.313 31.823 -0.912 0.000 0.698 163 V HN 0.527 nan 8.190 nan 0.000 0.477 164 G N 0.509 109.122 108.800 -0.311 0.000 2.134 164 G HA2 -0.166 3.794 3.960 0.000 0.000 0.209 164 G HA3 -0.166 3.794 3.960 0.000 0.000 0.209 164 G C 0.152 175.033 174.900 -0.033 0.000 0.993 164 G CA 0.077 45.098 45.100 -0.133 0.000 0.669 164 G HN 1.140 nan 8.290 nan 0.000 0.519 165 H N -2.828 116.219 119.070 -0.038 0.000 3.057 165 H HA 0.470 5.026 4.556 0.000 0.000 0.308 165 H C -0.352 174.983 175.328 0.012 0.000 1.276 165 H CA -0.186 55.858 56.048 -0.006 0.000 1.325 165 H CB 0.528 30.291 29.762 0.001 0.000 1.963 165 H HN 0.680 nan 8.280 nan 0.000 0.524 166 T N 1.113 115.789 114.554 0.204 0.000 2.871 166 T HA 0.176 4.526 4.350 0.000 0.000 0.296 166 T C 0.540 175.388 174.700 0.248 0.000 0.998 166 T CA 0.466 62.667 62.100 0.168 0.000 1.162 166 T CB 0.139 69.085 68.868 0.129 0.000 0.947 166 T HN 0.430 nan 8.240 nan 0.000 0.536 167 V N 5.190 125.233 119.914 0.214 0.000 2.870 167 V HA 0.120 4.240 4.120 0.000 0.000 0.232 167 V C 1.656 177.866 176.094 0.193 0.000 1.161 167 V CA 0.765 63.218 62.300 0.254 0.000 1.204 167 V CB -0.558 31.478 31.823 0.356 0.000 1.003 167 V HN 1.142 nan 8.190 nan 0.000 0.499 168 L N 0.512 121.843 121.223 0.180 0.000 4.491 168 L HA -0.199 4.141 4.340 0.000 0.000 0.433 168 L C 0.637 177.588 176.870 0.134 0.000 1.135 168 L CA 1.743 56.668 54.840 0.142 0.000 0.971 168 L CB -2.608 39.533 42.059 0.136 0.000 1.949 168 L HN 0.331 nan 8.230 nan 0.000 0.953 169 G N -1.616 107.275 108.800 0.152 0.000 3.829 169 G HA2 0.359 4.319 3.960 0.000 0.000 0.279 169 G HA3 0.359 4.319 3.960 0.000 0.000 0.279 169 G C 0.818 175.837 174.900 0.198 0.000 1.008 169 G CA 0.403 45.616 45.100 0.189 0.000 0.840 169 G HN 0.376 nan 8.290 nan 0.000 0.474 170 I N 1.455 122.090 120.570 0.108 0.000 3.059 170 I HA 0.261 4.431 4.170 0.000 0.000 0.270 170 I C 0.467 176.573 176.117 -0.018 0.000 1.238 170 I CA 0.275 61.557 61.300 -0.030 0.000 1.478 170 I CB 0.564 38.452 38.000 -0.187 0.000 1.097 170 I HN 0.027 nan 8.210 nan 0.000 0.455 171 V N -2.219 117.708 119.914 0.022 0.000 3.012 171 V HA 0.718 4.838 4.120 0.000 0.000 0.307 171 V C -0.230 175.868 176.094 0.007 0.000 1.166 171 V CA -0.024 62.269 62.300 -0.012 0.000 0.974 171 V CB 0.939 32.745 31.823 -0.029 0.000 1.040 171 V HN 0.204 nan 8.190 nan 0.000 0.428 172 T N -1.064 113.475 114.554 -0.025 0.000 2.922 172 T HA 0.781 5.131 4.350 0.000 0.000 0.281 172 T C 1.028 175.716 174.700 -0.021 0.000 1.005 172 T CA -0.152 61.945 62.100 -0.005 0.000 0.982 172 T CB 1.086 69.940 68.868 -0.025 0.000 1.158 172 T HN 2.715 nan 8.240 nan 0.000 0.566 173 G N 0.562 109.353 108.800 -0.015 0.000 2.176 173 G HA2 -0.219 3.742 3.960 0.000 0.000 0.252 173 G HA3 -0.219 3.742 3.960 0.000 0.000 0.252 173 G C -0.096 174.775 174.900 -0.049 0.000 1.024 173 G CA 0.220 45.301 45.100 -0.031 0.000 0.755 173 G HN 0.847 nan 8.290 nan 0.000 0.507 174 K N 0.304 120.682 120.400 -0.036 0.000 2.107 174 K HA 0.446 4.766 4.320 0.000 0.000 0.251 174 K C -2.264 174.297 176.600 -0.064 0.000 1.012 174 K CA -1.811 54.442 56.287 -0.057 0.000 0.920 174 K CB 0.696 33.181 32.500 -0.025 0.000 1.033 174 K HN 0.023 nan 8.250 nan 0.000 0.478 175 P HA -0.053 nan 4.420 nan 0.000 0.271 175 P C 0.754 178.003 177.300 -0.086 0.000 1.216 175 P CA -0.152 62.895 63.100 -0.089 0.000 0.776 175 P CB 0.563 32.200 31.700 -0.104 0.000 0.881 176 V N 1.950 121.812 119.914 -0.087 0.000 2.250 176 V HA -0.258 3.862 4.120 0.000 0.000 0.253 176 V C 1.571 177.556 176.094 -0.181 0.000 1.065 176 V CA 2.185 64.416 62.300 -0.115 0.000 1.039 176 V CB -1.188 30.576 31.823 -0.097 0.000 0.647 176 V HN 0.602 nan 8.190 nan 0.000 0.446 177 E N -0.171 119.939 120.200 -0.151 0.000 2.545 177 E HA 0.170 4.520 4.350 0.000 0.000 0.271 177 E C 0.074 176.588 176.600 -0.144 0.000 1.508 177 E CA 0.155 56.455 56.400 -0.167 0.000 1.774 177 E CB -0.197 29.434 29.700 -0.115 0.000 1.460 177 E HN 0.354 nan 8.360 nan 0.000 0.449 178 L N -0.653 120.476 121.223 -0.156 0.000 3.722 178 L HA 0.282 4.622 4.340 0.000 0.000 0.383 178 L C 0.646 177.490 176.870 -0.043 0.000 1.308 178 L CA 0.884 55.671 54.840 -0.088 0.000 1.117 178 L CB 0.464 42.484 42.059 -0.064 0.000 1.361 178 L HN 0.258 nan 8.230 nan 0.000 0.591 179 G N -0.939 107.807 108.800 -0.089 0.000 2.148 179 G HA2 -0.103 3.857 3.960 0.000 0.000 0.203 179 G HA3 -0.103 3.857 3.960 0.000 0.000 0.203 179 G C 0.630 175.632 174.900 0.170 0.000 0.993 179 G CA 0.116 45.313 45.100 0.161 0.000 0.661 179 G HN 0.848 nan 8.290 nan 0.000 0.518 180 G N -0.513 108.295 108.800 0.014 0.000 2.580 180 G HA2 0.574 4.534 3.960 0.000 0.000 0.278 180 G HA3 0.574 4.534 3.960 0.000 0.000 0.278 180 G C -0.099 174.831 174.900 0.051 0.000 1.212 180 G CA 0.567 45.679 45.100 0.019 0.000 0.939 180 G HN 0.822 nan 8.290 nan 0.000 0.513 181 S N -0.530 115.189 115.700 0.032 0.000 2.502 181 S HA 0.388 4.858 4.470 0.000 0.000 0.304 181 S C -0.014 174.598 174.600 0.019 0.000 1.097 181 S CA -0.743 57.477 58.200 0.032 0.000 1.045 181 S CB 0.984 64.196 63.200 0.020 0.000 1.019 181 S HN 0.500 nan 8.310 nan 0.000 0.481 182 K N 1.217 121.629 120.400 0.020 0.000 2.414 182 K HA 0.340 4.660 4.320 0.000 0.000 0.272 182 K C 1.151 177.766 176.600 0.025 0.000 0.993 182 K CA 0.571 56.865 56.287 0.012 0.000 0.964 182 K CB 0.232 32.740 32.500 0.014 0.000 0.925 182 K HN 0.977 nan 8.250 nan 0.000 0.487 183 G N 1.505 110.300 108.800 -0.009 0.000 2.157 183 G HA2 -0.326 3.634 3.960 0.000 0.000 0.248 183 G HA3 -0.326 3.634 3.960 0.000 0.000 0.248 183 G C 0.881 175.750 174.900 -0.051 0.000 0.979 183 G CA 0.548 45.628 45.100 -0.034 0.000 0.650 183 G HN 0.731 nan 8.290 nan 0.000 0.529 184 R N 0.398 120.877 120.500 -0.035 0.000 2.096 184 R HA -0.013 4.327 4.340 0.000 0.000 0.235 184 R C 2.238 178.491 176.300 -0.079 0.000 1.127 184 R CA 1.886 57.966 56.100 -0.033 0.000 0.968 184 R CB -0.236 30.054 30.300 -0.017 0.000 0.861 184 R HN 0.646 nan 8.270 nan 0.000 0.440 185 E N 0.362 120.490 120.200 -0.119 0.000 2.016 185 E HA -0.215 4.135 4.350 0.000 0.000 0.190 185 E C 1.716 178.022 176.600 -0.490 0.000 0.985 185 E CA 1.603 57.914 56.400 -0.148 0.000 0.802 185 E CB -0.041 29.644 29.700 -0.025 0.000 0.762 185 E HN 0.580 nan 8.360 nan 0.000 0.448 186 E N 1.174 120.839 120.200 -0.893 0.000 2.472 186 E HA -0.045 4.305 4.350 0.000 0.000 0.200 186 E C 1.738 178.066 176.600 -0.454 0.000 1.046 186 E CA 0.631 56.305 56.400 -1.211 0.000 0.871 186 E CB -0.052 29.068 29.700 -0.967 0.000 0.806 186 E HN 0.172 nan 8.360 nan 0.000 0.533 187 A N 1.876 124.548 122.820 -0.248 0.000 1.859 187 A HA -0.324 3.996 4.320 0.000 0.000 0.218 187 A C 2.464 180.015 177.584 -0.055 0.000 1.242 187 A CA 2.723 54.706 52.037 -0.089 0.000 0.661 187 A CB -1.609 17.368 19.000 -0.038 0.000 0.842 187 A HN 0.389 nan 8.150 nan 0.000 0.455 188 T N -0.328 114.203 114.554 -0.037 0.000 2.624 188 T HA -0.154 4.196 4.350 0.000 0.000 0.268 188 T C 1.965 176.678 174.700 0.023 0.000 1.041 188 T CA 2.184 64.288 62.100 0.006 0.000 1.159 188 T CB -1.090 67.794 68.868 0.027 0.000 0.863 188 T HN 0.743 nan 8.240 nan 0.000 0.434 189 G N 1.050 109.869 108.800 0.032 0.000 2.491 189 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 189 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 189 G C 1.552 176.482 174.900 0.050 0.000 1.180 189 G CA 1.181 46.334 45.100 0.088 0.000 0.774 189 G HN 0.467 nan 8.290 nan 0.000 0.562 190 R N 0.336 120.835 120.500 -0.001 0.000 2.105 190 R HA -0.042 4.298 4.340 0.000 0.000 0.239 190 R C 2.762 179.079 176.300 0.028 0.000 1.135 190 R CA 1.612 57.718 56.100 0.009 0.000 0.967 190 R CB -0.703 29.590 30.300 -0.012 0.000 0.861 190 R HN 0.341 nan 8.270 nan 0.000 0.442 191 G N -0.033 108.786 108.800 0.032 0.000 2.446 191 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 191 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 191 G C 1.392 176.322 174.900 0.049 0.000 1.168 191 G CA 0.931 46.058 45.100 0.045 0.000 0.771 191 G HN 0.229 nan 8.290 nan 0.000 0.551 192 V N 1.458 121.402 119.914 0.051 0.000 2.332 192 V HA -0.198 3.922 4.120 0.000 0.000 0.248 192 V C 2.788 178.911 176.094 0.048 0.000 1.055 192 V CA 2.259 64.594 62.300 0.057 0.000 1.038 192 V CB -0.376 31.486 31.823 0.064 0.000 0.651 192 V HN 0.452 nan 8.190 nan 0.000 0.450 193 K N 0.372 120.798 120.400 0.043 0.000 2.032 193 K HA -0.179 4.141 4.320 0.000 0.000 0.209 193 K C 2.112 178.714 176.600 0.003 0.000 1.048 193 K CA 2.045 58.351 56.287 0.031 0.000 0.927 193 K CB -0.482 32.040 32.500 0.036 0.000 0.712 193 K HN 0.347 nan 8.250 nan 0.000 0.441 194 V N 1.381 121.294 119.914 -0.002 0.000 2.287 194 V HA -0.333 3.787 4.120 0.000 0.000 0.248 194 V C 2.777 178.812 176.094 -0.099 0.000 1.053 194 V CA 1.944 64.220 62.300 -0.040 0.000 1.027 194 V CB -0.594 31.220 31.823 -0.016 0.000 0.646 194 V HN 0.479 nan 8.190 nan 0.000 0.447 195 C N -0.064 119.215 119.300 -0.035 0.000 2.432 195 C HA -0.094 4.366 4.460 0.000 0.000 0.277 195 C C 3.103 178.073 174.990 -0.033 0.000 1.249 195 C CA 0.816 59.825 59.018 -0.014 0.000 1.725 195 C CB -1.301 26.529 27.740 0.151 0.000 2.028 195 C HN 0.645 nan 8.230 nan 0.000 0.477 196 A N 0.411 123.236 122.820 0.008 0.000 1.978 196 A HA -0.011 4.309 4.320 0.000 0.000 0.220 196 A C 2.311 179.880 177.584 -0.025 0.000 1.170 196 A CA 2.193 54.239 52.037 0.016 0.000 0.636 196 A CB -1.083 17.935 19.000 0.031 0.000 0.810 196 A HN 0.600 nan 8.150 nan 0.000 0.448 197 G N -0.292 108.468 108.800 -0.067 0.000 2.394 197 G HA2 -0.092 3.868 3.960 0.000 0.000 0.214 197 G HA3 -0.092 3.868 3.960 0.000 0.000 0.214 197 G C 1.530 176.344 174.900 -0.143 0.000 1.176 197 G CA 0.899 45.948 45.100 -0.084 0.000 0.786 197 G HN 0.429 nan 8.290 nan 0.000 0.533 198 L N 0.835 121.879 121.223 -0.300 0.000 2.083 198 L HA -0.046 4.294 4.340 0.000 0.000 0.209 198 L C 3.392 180.118 176.870 -0.241 0.000 1.083 198 L CA 0.916 55.471 54.840 -0.476 0.000 0.752 198 L CB -0.386 40.894 42.059 -1.299 0.000 0.899 198 L HN 0.302 nan 8.230 nan 0.000 0.433 199 A N -0.196 122.568 122.820 -0.094 0.000 1.902 199 A HA -0.236 4.085 4.320 0.000 0.000 0.217 199 A C 2.323 179.942 177.584 0.058 0.000 1.181 199 A CA 1.759 53.868 52.037 0.121 0.000 0.623 199 A CB -0.462 18.621 19.000 0.139 0.000 0.818 199 A HN 0.345 nan 8.150 nan 0.000 0.443 200 M N -0.816 118.789 119.600 0.009 0.000 2.159 200 M HA -0.142 4.338 4.480 0.000 0.000 0.263 200 M C 1.570 177.874 176.300 0.006 0.000 1.063 200 M CA 1.447 56.753 55.300 0.010 0.000 1.110 200 M CB -0.419 32.179 32.600 -0.003 0.000 1.374 200 M HN 0.385 nan 8.290 nan 0.000 0.411 201 D N 0.076 120.467 120.400 -0.014 0.000 2.084 201 D HA -0.131 4.510 4.640 0.000 0.000 0.196 201 D C 2.012 178.327 176.300 0.024 0.000 0.985 201 D CA 1.862 55.857 54.000 -0.008 0.000 0.826 201 D CB -0.183 40.593 40.800 -0.041 0.000 0.978 201 D HN 0.330 nan 8.370 nan 0.000 0.456 202 V N -0.291 119.657 119.914 0.057 0.000 2.594 202 V HA -0.152 3.968 4.120 0.000 0.000 0.253 202 V C 2.200 178.330 176.094 0.060 0.000 1.069 202 V CA 1.218 63.569 62.300 0.085 0.000 1.082 202 V CB -0.846 31.067 31.823 0.152 0.000 0.680 202 V HN 0.131 nan 8.190 nan 0.000 0.469 203 L N 0.837 122.092 121.223 0.052 0.000 2.592 203 L HA 0.454 4.794 4.340 0.000 0.000 0.227 203 L C 1.987 178.874 176.870 0.027 0.000 1.127 203 L CA 0.629 55.493 54.840 0.039 0.000 0.884 203 L CB -0.559 41.525 42.059 0.041 0.000 1.065 203 L HN 0.596 nan 8.230 nan 0.000 0.457 204 G N 1.453 110.267 108.800 0.024 0.000 2.175 204 G HA2 -0.314 3.646 3.960 0.000 0.000 0.265 204 G HA3 -0.314 3.646 3.960 0.000 0.000 0.265 204 G C 0.261 175.168 174.900 0.013 0.000 0.979 204 G CA 0.101 45.211 45.100 0.016 0.000 0.663 204 G HN 0.357 nan 8.290 nan 0.000 0.533 205 I N 1.281 121.860 120.570 0.015 0.000 2.452 205 I HA 0.258 4.428 4.170 0.000 0.000 0.287 205 I C 0.610 176.732 176.117 0.008 0.000 1.079 205 I CA -0.398 60.910 61.300 0.013 0.000 1.387 205 I CB 0.856 38.866 38.000 0.017 0.000 1.404 205 I HN 0.204 nan 8.210 nan 0.000 0.522 206 D N 9.408 129.812 120.400 0.007 0.000 2.371 206 D HA 0.092 4.732 4.640 0.000 0.000 0.256 206 D C -1.335 174.967 176.300 0.005 0.000 1.193 206 D CA -1.449 52.554 54.000 0.004 0.000 0.881 206 D CB 1.094 41.896 40.800 0.004 0.000 1.143 206 D HN 0.257 nan 8.370 nan 0.000 0.473 207 P HA -0.237 nan 4.420 nan 0.000 0.215 207 P C 1.196 178.500 177.300 0.007 0.000 1.153 207 P CA 1.150 64.252 63.100 0.005 0.000 0.853 207 P CB 0.113 31.813 31.700 -0.000 0.000 0.788 208 K N 0.533 120.935 120.400 0.004 0.000 2.160 208 K HA -0.184 4.136 4.320 0.000 0.000 0.206 208 K C 2.199 178.801 176.600 0.004 0.000 1.047 208 K CA 1.497 57.787 56.287 0.004 0.000 0.930 208 K CB -0.104 32.397 32.500 0.002 0.000 0.720 208 K HN 0.032 nan 8.250 nan 0.000 0.450 209 K N -0.051 120.352 120.400 0.005 0.000 2.348 209 K HA 0.127 4.447 4.320 0.000 0.000 0.194 209 K C -0.010 176.596 176.600 0.009 0.000 1.052 209 K CA 0.217 56.507 56.287 0.005 0.000 1.004 209 K CB 0.293 32.795 32.500 0.004 0.000 0.873 209 K HN 0.113 nan 8.250 nan 0.000 0.523 210 A N 1.914 124.741 122.820 0.012 0.000 2.561 210 A HA 0.082 4.402 4.320 0.000 0.000 0.234 210 A C 0.216 177.814 177.584 0.023 0.000 1.055 210 A CA 0.534 52.582 52.037 0.018 0.000 0.756 210 A CB -0.049 18.962 19.000 0.019 0.000 0.986 210 A HN 0.476 nan 8.150 nan 0.000 0.505 211 T N -0.441 114.132 114.554 0.031 0.000 2.859 211 T HA 0.654 5.004 4.350 0.000 0.000 0.281 211 T C -0.524 174.208 174.700 0.054 0.000 1.005 211 T CA -0.712 61.414 62.100 0.042 0.000 1.025 211 T CB 1.271 70.170 68.868 0.053 0.000 0.977 211 T HN 0.715 nan 8.240 nan 0.000 0.458 212 V N 1.569 121.522 119.914 0.065 0.000 2.789 212 V HA 0.829 4.949 4.120 0.000 0.000 0.311 212 V C -0.201 175.949 176.094 0.094 0.000 1.073 212 V CA -1.039 61.305 62.300 0.073 0.000 0.921 212 V CB 1.869 33.733 31.823 0.067 0.000 1.009 212 V HN 1.350 nan 8.190 nan 0.000 0.426 213 A N 3.743 126.616 122.820 0.087 0.000 2.343 213 A HA 0.891 5.211 4.320 0.000 0.000 0.316 213 A C -1.116 176.512 177.584 0.073 0.000 1.104 213 A CA -0.552 51.540 52.037 0.092 0.000 0.768 213 A CB 1.696 20.747 19.000 0.084 0.000 1.213 213 A HN 0.744 nan 8.150 nan 0.000 0.456 214 V N 3.081 123.036 119.914 0.069 0.000 2.376 214 V HA 0.323 4.444 4.120 0.000 0.000 0.287 214 V C 0.008 176.135 176.094 0.055 0.000 1.015 214 V CA -0.503 61.842 62.300 0.074 0.000 0.834 214 V CB 1.437 33.328 31.823 0.114 0.000 1.001 214 V HN 0.948 nan 8.190 nan 0.000 0.428 215 Q N 3.366 123.197 119.800 0.052 0.000 2.337 215 Q HA 0.550 4.890 4.340 0.000 0.000 0.255 215 Q C 0.248 176.287 176.000 0.065 0.000 0.997 215 Q CA 0.644 56.471 55.803 0.041 0.000 0.925 215 Q CB 1.050 29.807 28.738 0.031 0.000 1.212 215 Q HN 1.169 nan 8.270 nan 0.000 0.436 216 G N 2.998 111.843 108.800 0.076 0.000 2.640 216 G HA2 -0.143 3.817 3.960 0.000 0.000 0.686 216 G HA3 -0.143 3.817 3.960 0.000 0.000 0.686 216 G C -1.277 173.778 174.900 0.258 0.000 1.229 216 G CA -0.822 44.350 45.100 0.121 0.000 0.796 216 G HN 0.494 nan 8.290 nan 0.000 0.654 217 F N 2.332 122.267 119.950 -0.025 0.000 2.677 217 F HA 0.536 5.064 4.527 0.000 0.000 0.388 217 F C 1.088 176.864 175.800 -0.039 0.000 1.400 217 F CA -0.079 57.895 58.000 -0.045 0.000 1.162 217 F CB 0.492 39.452 39.000 -0.066 0.000 1.135 217 F HN 0.865 nan 8.300 nan 0.000 0.516 218 G N 0.292 109.093 108.800 0.002 0.000 2.543 218 G HA2 0.031 3.991 3.960 0.000 0.000 0.267 218 G HA3 0.031 3.991 3.960 0.000 0.000 0.267 218 G C 0.916 175.745 174.900 -0.118 0.000 1.406 218 G CA -0.042 45.028 45.100 -0.050 0.000 1.048 218 G HN 0.243 nan 8.290 nan 0.000 0.548 219 N N -1.441 117.230 118.700 -0.048 0.000 2.021 219 N HA -0.211 4.529 4.740 0.000 0.000 0.198 219 N C 2.231 177.789 175.510 0.080 0.000 1.041 219 N CA 2.426 55.487 53.050 0.018 0.000 0.862 219 N CB -0.337 38.209 38.487 0.099 0.000 1.048 219 N HN 0.163 nan 8.380 nan 0.000 0.427 220 V N 0.059 120.018 119.914 0.075 0.000 2.233 220 V HA -0.155 3.965 4.120 0.000 0.000 0.247 220 V C 2.448 178.583 176.094 0.067 0.000 1.050 220 V CA 2.153 64.508 62.300 0.093 0.000 1.010 220 V CB -1.578 30.285 31.823 0.067 0.000 0.637 220 V HN 0.576 nan 8.190 nan 0.000 0.444 221 G N -1.139 107.682 108.800 0.035 0.000 2.491 221 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 221 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 221 G C 1.491 176.368 174.900 -0.039 0.000 1.180 221 G CA 1.188 46.329 45.100 0.068 0.000 0.774 221 G HN 0.555 nan 8.290 nan 0.000 0.562 222 Q N -0.483 119.075 119.800 -0.403 0.000 1.985 222 Q HA -0.119 4.222 4.340 0.000 0.000 0.207 222 Q C 2.439 178.249 176.000 -0.317 0.000 0.996 222 Q CA 1.724 57.088 55.803 -0.732 0.000 0.851 222 Q CB -0.387 27.757 28.738 -0.991 0.000 0.921 222 Q HN 0.571 nan 8.270 nan 0.000 0.418 223 F N 0.316 120.178 119.950 -0.148 0.000 2.126 223 F HA -0.288 4.239 4.527 0.000 0.000 0.299 223 F C 2.461 178.249 175.800 -0.021 0.000 1.096 223 F CA 0.646 58.606 58.000 -0.067 0.000 1.255 223 F CB -0.297 38.674 39.000 -0.049 0.000 0.997 223 F HN 0.164 nan 8.300 nan 0.000 0.479 224 A N 0.208 123.138 122.820 0.183 0.000 1.851 224 A HA -0.191 4.129 4.320 0.000 0.000 0.216 224 A C 2.381 180.033 177.584 0.114 0.000 1.195 224 A CA 2.006 54.120 52.037 0.128 0.000 0.622 224 A CB -1.432 17.631 19.000 0.106 0.000 0.831 224 A HN 0.341 nan 8.150 nan 0.000 0.444 225 A N -0.545 122.344 122.820 0.116 0.000 1.865 225 A HA -0.113 4.207 4.320 0.000 0.000 0.217 225 A C 2.229 179.879 177.584 0.109 0.000 1.191 225 A CA 1.924 54.040 52.037 0.131 0.000 0.623 225 A CB -0.828 18.301 19.000 0.215 0.000 0.826 225 A HN 0.831 nan 8.150 nan 0.000 0.444 226 L N -0.323 120.954 121.223 0.089 0.000 1.989 226 L HA -0.161 4.179 4.340 0.000 0.000 0.211 226 L C 2.398 179.324 176.870 0.094 0.000 1.071 226 L CA 1.893 56.782 54.840 0.081 0.000 0.749 226 L CB -0.362 41.728 42.059 0.052 0.000 0.890 226 L HN 0.430 nan 8.230 nan 0.000 0.431 227 L N -0.946 120.347 121.223 0.116 0.000 2.017 227 L HA -0.241 4.099 4.340 0.000 0.000 0.208 227 L C 2.537 179.447 176.870 0.068 0.000 1.073 227 L CA 1.565 56.461 54.840 0.094 0.000 0.745 227 L CB -0.521 41.596 42.059 0.097 0.000 0.894 227 L HN 0.297 nan 8.230 nan 0.000 0.432 228 I N -0.849 119.763 120.570 0.070 0.000 2.163 228 I HA -0.357 3.813 4.170 0.000 0.000 0.243 228 I C 2.873 179.020 176.117 0.050 0.000 1.085 228 I CA 1.541 62.874 61.300 0.055 0.000 1.347 228 I CB -0.294 37.743 38.000 0.061 0.000 1.044 228 I HN 0.252 nan 8.210 nan 0.000 0.408 229 S N 0.178 115.914 115.700 0.060 0.000 2.348 229 S HA -0.238 4.232 4.470 0.000 0.000 0.221 229 S C 2.009 176.635 174.600 0.043 0.000 1.033 229 S CA 1.585 59.817 58.200 0.053 0.000 1.010 229 S CB -0.160 63.079 63.200 0.065 0.000 0.891 229 S HN 0.447 nan 8.310 nan 0.000 0.442 230 Q N 0.176 120.004 119.800 0.047 0.000 2.020 230 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 230 Q C 2.213 178.231 176.000 0.031 0.000 0.974 230 Q CA 1.413 57.240 55.803 0.039 0.000 0.829 230 Q CB -0.284 28.481 28.738 0.045 0.000 0.894 230 Q HN 0.668 nan 8.270 nan 0.000 0.433 231 E N 0.329 120.548 120.200 0.032 0.000 2.230 231 E HA -0.005 4.345 4.350 0.000 0.000 0.192 231 E C 1.794 178.404 176.600 0.015 0.000 0.987 231 E CA 0.481 56.895 56.400 0.022 0.000 0.841 231 E CB 0.292 30.005 29.700 0.022 0.000 0.783 231 E HN 0.266 nan 8.360 nan 0.000 0.481 232 L N -1.011 120.223 121.223 0.018 0.000 2.556 232 L HA 0.229 4.569 4.340 0.000 0.000 0.226 232 L C 1.533 178.411 176.870 0.013 0.000 1.089 232 L CA 0.423 55.270 54.840 0.012 0.000 0.864 232 L CB 0.382 42.449 42.059 0.013 0.000 1.067 232 L HN 0.299 nan 8.230 nan 0.000 0.477 233 G N 0.099 108.910 108.800 0.018 0.000 2.212 233 G HA2 -0.297 3.663 3.960 0.000 0.000 0.266 233 G HA3 -0.297 3.663 3.960 0.000 0.000 0.266 233 G C 0.400 175.309 174.900 0.016 0.000 0.978 233 G CA 0.487 45.596 45.100 0.015 0.000 0.632 233 G HN 0.342 nan 8.290 nan 0.000 0.537 234 S N 0.877 116.589 115.700 0.020 0.000 2.568 234 S HA 0.375 4.845 4.470 0.000 0.000 0.282 234 S C 0.505 175.120 174.600 0.026 0.000 1.338 234 S CA 0.100 58.314 58.200 0.022 0.000 1.045 234 S CB 0.897 64.114 63.200 0.028 0.000 0.873 234 S HN 0.473 nan 8.310 nan 0.000 0.516 235 K N 1.910 122.321 120.400 0.019 0.000 2.263 235 K HA 0.237 4.557 4.320 0.000 0.000 0.282 235 K C -0.927 175.691 176.600 0.030 0.000 1.089 235 K CA -0.443 55.850 56.287 0.011 0.000 0.907 235 K CB 0.576 33.065 32.500 -0.018 0.000 1.148 235 K HN 0.291 nan 8.250 nan 0.000 0.470 236 V N 4.544 124.492 119.914 0.057 0.000 2.324 236 V HA -0.070 4.050 4.120 0.000 0.000 0.244 236 V C 1.572 177.741 176.094 0.126 0.000 1.144 236 V CA 0.012 62.374 62.300 0.103 0.000 1.158 236 V CB -0.259 31.643 31.823 0.133 0.000 1.254 236 V HN 0.685 nan 8.190 nan 0.000 0.492 237 V N 1.658 121.624 119.914 0.086 0.000 3.510 237 V HA 0.540 4.660 4.120 0.000 0.000 0.270 237 V C 0.784 177.016 176.094 0.230 0.000 1.201 237 V CA 0.963 63.267 62.300 0.006 0.000 1.166 237 V CB -0.604 31.241 31.823 0.037 0.000 0.825 237 V HN 0.931 nan 8.190 nan 0.000 0.484 238 A N -0.172 122.848 122.820 0.333 0.000 2.583 238 A HA 0.721 5.041 4.320 0.000 0.000 0.298 238 A C -0.899 176.722 177.584 0.063 0.000 1.055 238 A CA 0.061 52.294 52.037 0.327 0.000 0.714 238 A CB 1.452 20.676 19.000 0.373 0.000 1.277 238 A HN 1.575 nan 8.150 nan 0.000 0.406 239 V N -0.443 119.373 119.914 -0.164 0.000 3.114 239 V HA 1.017 5.137 4.120 0.000 0.000 0.308 239 V C -0.309 175.594 176.094 -0.319 0.000 1.168 239 V CA 0.016 62.135 62.300 -0.303 0.000 1.015 239 V CB 1.649 33.063 31.823 -0.681 0.000 1.050 239 V HN 2.152 nan 8.190 nan 0.000 0.433 240 S N 1.098 116.662 115.700 -0.226 0.000 2.599 240 S HA 0.690 5.160 4.470 0.000 0.000 0.287 240 S C -1.025 173.516 174.600 -0.098 0.000 1.105 240 S CA -0.613 57.496 58.200 -0.151 0.000 0.899 240 S CB 2.236 65.403 63.200 -0.055 0.000 1.100 240 S HN 1.054 nan 8.310 nan 0.000 0.482 241 D N -0.033 120.332 120.400 -0.059 0.000 2.494 241 D HA 0.400 5.040 4.640 0.000 0.000 0.259 241 D C 0.521 176.839 176.300 0.030 0.000 1.109 241 D CA -0.516 53.491 54.000 0.012 0.000 1.040 241 D CB 2.185 42.993 40.800 0.014 0.000 1.175 241 D HN 0.649 nan 8.370 nan 0.000 0.584 242 S N 0.084 115.812 115.700 0.047 0.000 2.906 242 S HA 0.100 4.570 4.470 0.000 0.000 0.234 242 S C 1.006 175.627 174.600 0.036 0.000 0.973 242 S CA 0.038 58.264 58.200 0.043 0.000 1.036 242 S CB 0.430 63.659 63.200 0.048 0.000 0.798 242 S HN 0.411 nan 8.310 nan 0.000 0.498 243 R N 0.312 120.830 120.500 0.030 0.000 3.275 243 R HA 0.494 4.834 4.340 0.000 0.000 0.154 243 R C 0.763 177.075 176.300 0.019 0.000 0.843 243 R CA 0.795 56.912 56.100 0.028 0.000 1.027 243 R CB 0.244 30.564 30.300 0.033 0.000 1.423 243 R HN 0.423 nan 8.270 nan 0.000 0.530 244 G N -1.059 107.745 108.800 0.008 0.000 2.634 244 G HA2 0.504 4.465 3.960 0.000 0.000 0.309 244 G HA3 0.504 4.465 3.960 0.000 0.000 0.309 244 G C -1.424 173.459 174.900 -0.028 0.000 1.299 244 G CA -0.455 44.644 45.100 -0.001 0.000 0.798 244 G HN 0.402 nan 8.290 nan 0.000 0.490 245 G N -1.062 107.721 108.800 -0.029 0.000 2.642 245 G HA2 0.741 4.701 3.960 0.000 0.000 0.293 245 G HA3 0.741 4.701 3.960 0.000 0.000 0.293 245 G C -0.919 173.958 174.900 -0.038 0.000 1.341 245 G CA -0.622 44.440 45.100 -0.063 0.000 0.916 245 G HN 1.191 nan 8.290 nan 0.000 0.474 246 I N -1.432 119.085 120.570 -0.088 0.000 2.569 246 I HA 0.748 4.918 4.170 0.000 0.000 0.296 246 I C -1.186 175.099 176.117 0.281 0.000 1.028 246 I CA -1.298 60.019 61.300 0.028 0.000 1.082 246 I CB 2.328 40.234 38.000 -0.157 0.000 1.264 246 I HN 0.464 nan 8.210 nan 0.000 0.429 247 Y N 4.315 124.794 120.300 0.298 0.000 2.587 247 Y HA 0.685 5.235 4.550 -0.000 0.000 0.337 247 Y C -1.054 174.937 175.900 0.152 0.000 1.065 247 Y CA -1.132 57.136 58.100 0.281 0.000 1.126 247 Y CB 1.964 40.485 38.460 0.101 0.000 1.279 247 Y HN 0.782 nan 8.280 nan 0.000 0.489 248 N N 4.366 122.317 118.700 -1.247 0.000 3.429 248 N HA 0.172 4.912 4.740 0.000 0.000 0.221 248 N C -2.768 172.046 175.510 -1.161 0.000 1.195 248 N CA -1.231 51.095 53.050 -1.207 0.000 0.938 248 N CB 1.832 39.471 38.487 -1.413 0.000 1.609 248 N HN 0.360 nan 8.380 nan 0.000 0.704 249 P HA -0.033 nan 4.420 nan 0.000 0.226 249 P C 0.508 177.627 177.300 -0.302 0.000 1.153 249 P CA 1.025 63.866 63.100 -0.432 0.000 0.777 249 P CB 0.642 32.249 31.700 -0.155 0.000 0.794 250 E N -0.385 119.599 120.200 -0.360 0.000 2.285 250 E HA 0.208 4.558 4.350 0.000 0.000 0.194 250 E C 0.617 177.060 176.600 -0.262 0.000 0.997 250 E CA 0.444 56.689 56.400 -0.257 0.000 0.845 250 E CB -0.232 29.326 29.700 -0.237 0.000 0.782 250 E HN 0.212 nan 8.360 nan 0.000 0.491 251 G N 0.555 109.114 108.800 -0.403 0.000 3.338 251 G HA2 -0.210 3.750 3.960 0.000 0.000 0.686 251 G HA3 -0.210 3.750 3.960 0.000 0.000 0.686 251 G C -0.487 174.234 174.900 -0.297 0.000 1.053 251 G CA -0.838 44.083 45.100 -0.299 0.000 0.852 251 G HN 0.065 nan 8.290 nan 0.000 0.545 252 F N 0.931 120.828 119.950 -0.089 0.000 2.435 252 F HA 0.394 4.921 4.527 0.000 0.000 0.316 252 F C 1.299 177.071 175.800 -0.048 0.000 1.220 252 F CA 0.245 58.195 58.000 -0.082 0.000 1.241 252 F CB 0.744 39.641 39.000 -0.170 0.000 1.234 252 F HN 0.440 nan 8.300 nan 0.000 0.569 253 D N 1.056 121.573 120.400 0.195 0.000 2.499 253 D HA 0.170 4.810 4.640 0.000 0.000 0.225 253 D C 1.058 177.410 176.300 0.086 0.000 1.124 253 D CA -0.074 53.996 54.000 0.116 0.000 0.938 253 D CB 0.809 41.681 40.800 0.120 0.000 1.014 253 D HN 0.334 nan 8.370 nan 0.000 0.517 254 V N 3.382 123.351 119.914 0.092 0.000 2.311 254 V HA -0.333 3.787 4.120 0.000 0.000 0.259 254 V C 2.259 178.398 176.094 0.076 0.000 1.086 254 V CA 1.791 64.150 62.300 0.099 0.000 1.078 254 V CB -0.678 31.208 31.823 0.105 0.000 0.668 254 V HN 0.544 nan 8.190 nan 0.000 0.452 255 E N -0.174 120.062 120.200 0.060 0.000 2.023 255 E HA -0.263 4.087 4.350 0.000 0.000 0.196 255 E C 2.387 179.028 176.600 0.068 0.000 1.003 255 E CA 1.586 58.015 56.400 0.049 0.000 0.809 255 E CB -0.209 29.522 29.700 0.052 0.000 0.755 255 E HN 0.717 nan 8.360 nan 0.000 0.449 256 E N 0.618 120.872 120.200 0.089 0.000 2.085 256 E HA -0.195 4.155 4.350 0.000 0.000 0.194 256 E C 2.258 178.922 176.600 0.107 0.000 0.994 256 E CA 0.634 57.117 56.400 0.138 0.000 0.801 256 E CB -0.039 29.780 29.700 0.198 0.000 0.743 256 E HN 0.186 nan 8.360 nan 0.000 0.453 257 L N 0.503 121.695 121.223 -0.053 0.000 2.042 257 L HA -0.246 4.094 4.340 0.000 0.000 0.210 257 L C 2.381 179.332 176.870 0.135 0.000 1.076 257 L CA 1.008 55.718 54.840 -0.216 0.000 0.749 257 L CB -0.237 41.632 42.059 -0.318 0.000 0.893 257 L HN 0.239 nan 8.230 nan 0.000 0.432 258 I N -0.814 119.857 120.570 0.168 0.000 2.113 258 I HA -0.340 3.830 4.170 0.000 0.000 0.238 258 I C 2.693 178.878 176.117 0.112 0.000 1.070 258 I CA 1.191 62.551 61.300 0.100 0.000 1.332 258 I CB -0.173 37.783 38.000 -0.073 0.000 1.044 258 I HN 0.140 nan 8.210 nan 0.000 0.402 259 R N -0.165 120.402 120.500 0.112 0.000 2.113 259 R HA -0.269 4.071 4.340 0.000 0.000 0.244 259 R C 2.219 178.644 176.300 0.208 0.000 1.142 259 R CA 1.970 58.147 56.100 0.128 0.000 0.953 259 R CB -1.038 29.343 30.300 0.134 0.000 0.860 259 R HN 0.420 nan 8.270 nan 0.000 0.438 260 Y N 1.056 121.442 120.300 0.144 0.000 2.181 260 Y HA -0.220 4.330 4.550 0.000 0.000 0.288 260 Y C 2.007 178.043 175.900 0.226 0.000 1.146 260 Y CA 1.681 59.905 58.100 0.207 0.000 1.164 260 Y CB 0.030 38.584 38.460 0.156 0.000 0.982 260 Y HN -0.077 nan 8.280 nan 0.000 0.515 261 K N 0.336 120.944 120.400 0.347 0.000 2.439 261 K HA -0.143 4.177 4.320 0.000 0.000 0.197 261 K C 1.622 178.298 176.600 0.127 0.000 1.041 261 K CA 0.938 57.377 56.287 0.255 0.000 0.970 261 K CB 0.024 32.724 32.500 0.333 0.000 0.773 261 K HN 0.352 nan 8.250 nan 0.000 0.479 262 K N -0.051 120.405 120.400 0.094 0.000 2.202 262 K HA -0.039 4.281 4.320 0.000 0.000 0.201 262 K C 1.726 178.316 176.600 -0.015 0.000 1.051 262 K CA 0.562 56.865 56.287 0.025 0.000 0.977 262 K CB 0.275 32.782 32.500 0.011 0.000 0.792 262 K HN 0.090 nan 8.250 nan 0.000 0.469 263 E N -0.222 119.970 120.200 -0.014 0.000 2.230 263 E HA -0.050 4.300 4.350 0.000 0.000 0.192 263 E C -0.580 175.743 176.600 -0.463 0.000 0.987 263 E CA 0.557 56.839 56.400 -0.196 0.000 0.841 263 E CB 0.343 29.939 29.700 -0.173 0.000 0.783 263 E HN 0.271 nan 8.360 nan 0.000 0.481 264 H N -2.060 116.867 119.070 -0.239 0.000 2.589 264 H HA 0.312 4.868 4.556 0.000 0.000 0.351 264 H C 0.767 176.032 175.328 -0.104 0.000 1.074 264 H CA -0.174 55.730 56.048 -0.240 0.000 1.203 264 H CB 1.788 31.245 29.762 -0.507 0.000 1.558 264 H HN 0.082 nan 8.280 nan 0.000 0.522 265 G N 2.318 111.145 108.800 0.045 0.000 2.663 265 G HA2 -0.298 3.662 3.960 0.000 0.000 0.222 265 G HA3 -0.298 3.662 3.960 0.000 0.000 0.222 265 G C 0.683 175.638 174.900 0.090 0.000 1.146 265 G CA 1.767 46.899 45.100 0.054 0.000 0.764 265 G HN 0.759 nan 8.290 nan 0.000 0.608 266 T N -3.602 111.023 114.554 0.119 0.000 2.940 266 T HA 0.478 4.828 4.350 0.000 0.000 0.288 266 T C 1.090 175.921 174.700 0.218 0.000 1.045 266 T CA 0.033 62.213 62.100 0.134 0.000 1.018 266 T CB 1.941 70.866 68.868 0.095 0.000 1.151 266 T HN 0.445 nan 8.240 nan 0.000 0.529 267 V N -0.433 119.550 119.914 0.115 0.000 3.541 267 V HA 0.219 4.339 4.120 0.000 0.000 0.267 267 V C 1.148 177.226 176.094 -0.025 0.000 1.213 267 V CA -0.240 62.069 62.300 0.014 0.000 1.149 267 V CB -1.285 30.305 31.823 -0.389 0.000 0.822 267 V HN 0.709 nan 8.190 nan 0.000 0.462 268 V N 1.318 121.264 119.914 0.053 0.000 3.237 268 V HA 0.265 4.385 4.120 0.000 0.000 0.305 268 V C 1.673 177.847 176.094 0.133 0.000 1.096 268 V CA 1.035 63.361 62.300 0.045 0.000 1.130 268 V CB 0.236 32.088 31.823 0.048 0.000 1.048 268 V HN 0.699 nan 8.190 nan 0.000 0.484 269 T N -0.285 114.317 114.554 0.081 0.000 9.545 269 T HA -0.329 4.021 4.350 0.000 0.000 0.344 269 T C 0.171 174.888 174.700 0.029 0.000 1.908 269 T CA 1.534 63.690 62.100 0.094 0.000 3.011 269 T CB -1.957 67.011 68.868 0.166 0.000 2.298 269 T HN 1.016 nan 8.240 nan 0.000 0.992 270 Y N 6.308 126.429 120.300 -0.297 0.000 2.865 270 Y HA 0.277 4.827 4.550 -0.000 0.000 0.338 270 Y C -1.689 174.018 175.900 -0.321 0.000 1.269 270 Y CA -1.401 56.235 58.100 -0.775 0.000 1.585 270 Y CB 0.395 38.206 38.460 -1.081 0.000 1.224 270 Y HN 0.176 nan 8.280 nan 0.000 0.554 271 P HA -0.030 nan 4.420 nan 0.000 0.269 271 P C -0.673 176.361 177.300 -0.444 0.000 1.215 271 P CA 0.003 62.837 63.100 -0.443 0.000 0.780 271 P CB 0.742 32.217 31.700 -0.375 0.000 0.898 272 K N -0.608 119.696 120.400 -0.160 0.000 3.218 272 K HA -0.106 4.214 4.320 0.000 0.000 0.276 272 K C -0.225 176.459 176.600 0.139 0.000 1.173 272 K CA 0.882 57.141 56.287 -0.046 0.000 0.812 272 K CB -1.752 30.709 32.500 -0.065 0.000 1.275 272 K HN 0.958 nan 8.250 nan 0.000 0.504 273 G N 0.898 109.801 108.800 0.171 0.000 2.711 273 G HA2 0.289 4.249 3.960 0.000 0.000 0.288 273 G HA3 0.289 4.249 3.960 0.000 0.000 0.288 273 G C -1.219 173.791 174.900 0.183 0.000 1.451 273 G CA -0.588 44.711 45.100 0.331 0.000 1.186 273 G HN 0.153 nan 8.290 nan 0.000 0.560 274 E N 1.734 122.044 120.200 0.183 0.000 2.166 274 E HA 0.113 4.463 4.350 0.000 0.000 0.279 274 E C 0.421 177.115 176.600 0.156 0.000 1.095 274 E CA -0.273 56.219 56.400 0.154 0.000 0.888 274 E CB 0.666 30.481 29.700 0.192 0.000 1.041 274 E HN 0.321 nan 8.360 nan 0.000 0.414 275 R N 3.640 124.198 120.500 0.096 0.000 2.502 275 R HA 0.131 4.472 4.340 0.000 0.000 0.292 275 R C 0.160 176.496 176.300 0.061 0.000 0.998 275 R CA 0.557 56.697 56.100 0.067 0.000 1.056 275 R CB 0.052 30.379 30.300 0.045 0.000 0.939 275 R HN 0.475 nan 8.270 nan 0.000 0.411 276 I N -1.880 118.720 120.570 0.050 0.000 2.994 276 I HA 0.387 4.557 4.170 0.000 0.000 0.306 276 I C -0.077 176.049 176.117 0.015 0.000 1.195 276 I CA -1.096 60.222 61.300 0.031 0.000 1.001 276 I CB 2.156 40.174 38.000 0.031 0.000 1.244 276 I HN 0.341 nan 8.210 nan 0.000 0.437 277 T N 1.177 115.736 114.554 0.007 0.000 2.868 277 T HA 0.207 4.557 4.350 0.000 0.000 0.292 277 T C 0.850 175.552 174.700 0.003 0.000 1.028 277 T CA 0.263 62.367 62.100 0.007 0.000 1.059 277 T CB 0.709 69.582 68.868 0.008 0.000 0.991 277 T HN 0.775 nan 8.240 nan 0.000 0.531 278 N N 1.427 120.131 118.700 0.007 0.000 2.104 278 N HA -0.079 4.661 4.740 0.000 0.000 0.190 278 N C 1.854 177.365 175.510 0.002 0.000 1.024 278 N CA 1.252 54.305 53.050 0.006 0.000 0.853 278 N CB -0.071 38.426 38.487 0.015 0.000 1.008 278 N HN 0.619 nan 8.380 nan 0.000 0.424 279 E N 0.639 120.841 120.200 0.004 0.000 2.110 279 E HA -0.180 4.170 4.350 0.000 0.000 0.193 279 E C 1.630 178.215 176.600 -0.024 0.000 0.988 279 E CA 0.782 57.178 56.400 -0.007 0.000 0.804 279 E CB -0.137 29.566 29.700 0.005 0.000 0.745 279 E HN 0.556 nan 8.360 nan 0.000 0.458 280 E N 0.810 120.996 120.200 -0.023 0.000 2.051 280 E HA -0.155 4.196 4.350 0.000 0.000 0.192 280 E C 2.294 178.863 176.600 -0.051 0.000 0.991 280 E CA 0.517 56.892 56.400 -0.041 0.000 0.799 280 E CB -0.147 29.529 29.700 -0.040 0.000 0.748 280 E HN 0.117 nan 8.360 nan 0.000 0.449 281 L N 0.948 122.153 121.223 -0.031 0.000 2.043 281 L HA -0.232 4.108 4.340 0.000 0.000 0.212 281 L C 2.206 179.063 176.870 -0.021 0.000 1.075 281 L CA 1.182 56.011 54.840 -0.018 0.000 0.752 281 L CB -0.093 41.969 42.059 0.005 0.000 0.891 281 L HN 0.181 nan 8.230 nan 0.000 0.432 282 L N -0.760 120.449 121.223 -0.024 0.000 2.191 282 L HA -0.207 4.133 4.340 0.000 0.000 0.212 282 L C 1.957 178.803 176.870 -0.039 0.000 1.103 282 L CA 1.158 55.980 54.840 -0.029 0.000 0.769 282 L CB -0.282 41.751 42.059 -0.043 0.000 0.908 282 L HN 0.305 nan 8.230 nan 0.000 0.438 283 E N -0.525 119.645 120.200 -0.050 0.000 2.479 283 E HA 0.118 4.468 4.350 0.000 0.000 0.193 283 E C 0.359 176.920 176.600 -0.065 0.000 1.049 283 E CA -0.296 56.071 56.400 -0.055 0.000 0.870 283 E CB 0.294 29.959 29.700 -0.057 0.000 0.944 283 E HN 0.325 nan 8.360 nan 0.000 0.492 284 L N 1.077 122.258 121.223 -0.071 0.000 2.499 284 L HA -0.032 4.308 4.340 0.000 0.000 0.281 284 L C 0.433 177.269 176.870 -0.057 0.000 1.234 284 L CA 0.208 54.988 54.840 -0.100 0.000 0.839 284 L CB 0.335 42.346 42.059 -0.081 0.000 1.104 284 L HN 0.003 nan 8.230 nan 0.000 0.500 285 D N 2.230 122.592 120.400 -0.063 0.000 2.558 285 D HA 0.315 4.955 4.640 0.000 0.000 0.221 285 D C -0.586 175.722 176.300 0.013 0.000 1.143 285 D CA -0.241 53.745 54.000 -0.023 0.000 1.010 285 D CB 0.258 41.042 40.800 -0.026 0.000 1.068 285 D HN 0.225 nan 8.370 nan 0.000 0.511 286 V N -0.295 119.632 119.914 0.022 0.000 2.960 286 V HA 0.472 4.592 4.120 0.000 0.000 0.315 286 V C 0.842 176.956 176.094 0.033 0.000 1.087 286 V CA -0.686 61.640 62.300 0.043 0.000 0.982 286 V CB 2.134 33.995 31.823 0.063 0.000 1.039 286 V HN 0.081 nan 8.190 nan 0.000 0.437 287 D N 1.126 121.548 120.400 0.037 0.000 2.117 287 D HA 0.080 4.720 4.640 0.000 0.000 0.198 287 D C 0.327 176.647 176.300 0.034 0.000 0.982 287 D CA 2.033 56.052 54.000 0.032 0.000 0.828 287 D CB 0.362 41.180 40.800 0.031 0.000 0.967 287 D HN 0.518 nan 8.370 nan 0.000 0.464 288 I N 0.776 121.370 120.570 0.040 0.000 2.498 288 I HA 0.173 4.343 4.170 0.000 0.000 0.290 288 I C -1.010 175.134 176.117 0.045 0.000 1.032 288 I CA -0.794 60.531 61.300 0.043 0.000 1.073 288 I CB 2.790 40.817 38.000 0.046 0.000 1.251 288 I HN -0.200 nan 8.210 nan 0.000 0.426 289 L N 8.062 129.309 121.223 0.040 0.000 2.287 289 L HA 0.564 4.904 4.340 0.000 0.000 0.287 289 L C -0.770 176.126 176.870 0.042 0.000 1.022 289 L CA -0.320 54.542 54.840 0.037 0.000 0.814 289 L CB 1.495 43.568 42.059 0.023 0.000 1.217 289 L HN 0.346 nan 8.230 nan 0.000 0.420 290 V N 7.590 127.534 119.914 0.050 0.000 2.220 290 V HA 0.331 4.451 4.120 0.000 0.000 0.265 290 V C -2.052 174.073 176.094 0.052 0.000 1.078 290 V CA -1.185 61.148 62.300 0.054 0.000 0.872 290 V CB 0.720 32.583 31.823 0.066 0.000 1.121 290 V HN 0.684 nan 8.190 nan 0.000 0.460 291 P HA 0.176 nan 4.420 nan 0.000 0.264 291 P C 0.114 177.439 177.300 0.041 0.000 1.537 291 P CA 0.223 63.346 63.100 0.037 0.000 1.189 291 P CB 0.726 32.441 31.700 0.025 0.000 1.687 292 A N 2.583 125.435 122.820 0.054 0.000 3.290 292 A HA 0.615 4.935 4.320 0.000 0.000 0.297 292 A C 0.814 178.433 177.584 0.058 0.000 1.285 292 A CA -0.042 52.029 52.037 0.056 0.000 1.060 292 A CB -0.154 18.888 19.000 0.069 0.000 1.114 292 A HN 0.473 nan 8.150 nan 0.000 0.601 293 A N 0.199 123.048 122.820 0.048 0.000 2.597 293 A HA 0.795 5.115 4.320 0.000 0.000 0.191 293 A C -0.171 177.437 177.584 0.041 0.000 1.336 293 A CA -0.132 51.934 52.037 0.048 0.000 1.516 293 A CB 0.131 19.160 19.000 0.049 0.000 1.849 293 A HN 0.410 nan 8.150 nan 0.000 0.640 294 L N 0.926 122.173 121.223 0.041 0.000 2.365 294 L HA 0.421 4.761 4.340 0.000 0.000 0.267 294 L C -0.174 176.719 176.870 0.038 0.000 1.033 294 L CA -0.793 54.070 54.840 0.039 0.000 0.802 294 L CB 1.158 43.242 42.059 0.042 0.000 1.267 294 L HN 0.657 nan 8.230 nan 0.000 0.457 295 E N 0.034 120.255 120.200 0.035 0.000 2.392 295 E HA 0.231 4.581 4.350 0.000 0.000 0.256 295 E C 0.814 177.446 176.600 0.054 0.000 1.145 295 E CA 0.213 56.634 56.400 0.035 0.000 0.929 295 E CB 0.293 30.010 29.700 0.029 0.000 0.998 295 E HN 0.824 nan 8.360 nan 0.000 0.442 296 G N 0.889 109.727 108.800 0.062 0.000 2.186 296 G HA2 -0.421 3.539 3.960 0.000 0.000 0.266 296 G HA3 -0.421 3.539 3.960 0.000 0.000 0.266 296 G C 1.069 176.073 174.900 0.173 0.000 0.982 296 G CA 0.812 45.975 45.100 0.106 0.000 0.670 296 G HN 0.693 nan 8.290 nan 0.000 0.533 297 A N -0.430 122.453 122.820 0.104 0.000 1.903 297 A HA 0.127 4.447 4.320 0.000 0.000 0.219 297 A C 1.405 179.006 177.584 0.028 0.000 1.191 297 A CA 1.553 53.639 52.037 0.081 0.000 0.638 297 A CB -0.145 18.879 19.000 0.040 0.000 0.823 297 A HN 0.918 nan 8.150 nan 0.000 0.451 298 I N 1.440 122.011 120.570 0.003 0.000 2.307 298 I HA 0.292 4.462 4.170 0.000 0.000 0.289 298 I C 0.219 176.322 176.117 -0.024 0.000 1.021 298 I CA -0.466 60.784 61.300 -0.082 0.000 1.224 298 I CB 0.431 38.406 38.000 -0.042 0.000 1.376 298 I HN 0.576 nan 8.210 nan 0.000 0.470 299 H N 4.221 123.296 119.070 0.007 0.000 2.949 299 H HA 0.547 5.103 4.556 0.000 0.000 0.310 299 H C 0.840 176.171 175.328 0.006 0.000 1.405 299 H CA -0.663 55.389 56.048 0.007 0.000 1.253 299 H CB 0.921 30.688 29.762 0.008 0.000 1.932 299 H HN 0.429 nan 8.280 nan 0.000 0.602 300 A N 0.479 123.440 122.820 0.235 0.000 1.894 300 A HA -0.288 4.032 4.320 0.000 0.000 0.220 300 A C 2.393 180.045 177.584 0.114 0.000 1.237 300 A CA 3.281 55.401 52.037 0.139 0.000 0.660 300 A CB -1.920 17.152 19.000 0.121 0.000 0.835 300 A HN 0.892 nan 8.150 nan 0.000 0.461 301 G N -0.614 108.331 108.800 0.242 0.000 2.491 301 G HA2 -0.341 3.619 3.960 0.000 0.000 0.218 301 G HA3 -0.341 3.619 3.960 0.000 0.000 0.218 301 G C 1.357 176.236 174.900 -0.036 0.000 1.180 301 G CA 1.506 46.677 45.100 0.119 0.000 0.774 301 G HN 0.702 nan 8.290 nan 0.000 0.562 302 N N 1.276 119.840 118.700 -0.226 0.000 2.051 302 N HA 0.069 4.809 4.740 0.000 0.000 0.192 302 N C 2.496 177.938 175.510 -0.113 0.000 1.049 302 N CA 1.501 54.424 53.050 -0.211 0.000 0.845 302 N CB -0.539 37.745 38.487 -0.339 0.000 1.031 302 N HN 0.343 nan 8.380 nan 0.000 0.425 303 A N 1.682 124.440 122.820 -0.103 0.000 1.913 303 A HA -0.361 3.959 4.320 0.000 0.000 0.236 303 A C 1.921 179.486 177.584 -0.031 0.000 1.760 303 A CA 2.251 54.259 52.037 -0.048 0.000 0.740 303 A CB -1.004 17.984 19.000 -0.019 0.000 0.847 303 A HN 0.346 nan 8.150 nan 0.000 0.508 304 E N -1.130 119.057 120.200 -0.022 0.000 2.265 304 E HA -0.150 4.200 4.350 0.000 0.000 0.196 304 E C 2.013 178.602 176.600 -0.019 0.000 0.996 304 E CA 1.291 57.683 56.400 -0.014 0.000 0.832 304 E CB -0.163 29.534 29.700 -0.005 0.000 0.756 304 E HN 0.692 nan 8.360 nan 0.000 0.491 305 R N -0.186 120.297 120.500 -0.029 0.000 2.308 305 R HA 0.207 4.547 4.340 0.000 0.000 0.202 305 R C 0.714 176.994 176.300 -0.034 0.000 0.898 305 R CA -0.134 55.947 56.100 -0.031 0.000 1.046 305 R CB 0.566 30.845 30.300 -0.035 0.000 1.026 305 R HN 0.016 nan 8.270 nan 0.000 0.512 306 I N 2.352 122.900 120.570 -0.037 0.000 2.662 306 I HA -0.105 4.065 4.170 0.000 0.000 0.285 306 I C 0.846 176.951 176.117 -0.021 0.000 1.161 306 I CA 0.894 62.175 61.300 -0.032 0.000 1.415 306 I CB 0.716 38.697 38.000 -0.031 0.000 1.385 306 I HN 0.167 nan 8.210 nan 0.000 0.552 307 K N 4.647 125.035 120.400 -0.020 0.000 2.379 307 K HA 0.173 4.493 4.320 0.000 0.000 0.194 307 K C 0.819 177.417 176.600 -0.003 0.000 1.031 307 K CA -0.004 56.276 56.287 -0.012 0.000 1.037 307 K CB 0.385 32.875 32.500 -0.017 0.000 0.824 307 K HN 0.715 nan 8.250 nan 0.000 0.516 308 A N 2.054 124.873 122.820 -0.001 0.000 2.540 308 A HA -0.034 4.286 4.320 0.000 0.000 0.239 308 A C 0.743 178.335 177.584 0.012 0.000 1.061 308 A CA 0.250 52.293 52.037 0.009 0.000 0.758 308 A CB 0.258 19.265 19.000 0.012 0.000 0.991 308 A HN 0.204 nan 8.150 nan 0.000 0.502 309 K N 1.177 121.588 120.400 0.018 0.000 2.228 309 K HA 0.234 4.554 4.320 0.000 0.000 0.202 309 K C 0.543 177.159 176.600 0.027 0.000 1.051 309 K CA 1.298 57.598 56.287 0.021 0.000 0.960 309 K CB 0.076 32.590 32.500 0.023 0.000 0.743 309 K HN 0.777 nan 8.250 nan 0.000 0.458 310 A N 0.654 123.493 122.820 0.032 0.000 2.520 310 A HA 0.545 4.865 4.320 0.000 0.000 0.298 310 A C -1.339 176.269 177.584 0.039 0.000 1.051 310 A CA -0.672 51.390 52.037 0.041 0.000 0.690 310 A CB 1.833 20.867 19.000 0.057 0.000 1.281 310 A HN -0.089 nan 8.150 nan 0.000 0.402 311 V N 2.465 122.401 119.914 0.038 0.000 2.407 311 V HA 0.398 4.518 4.120 0.000 0.000 0.291 311 V C -0.512 175.608 176.094 0.043 0.000 1.018 311 V CA -0.492 61.829 62.300 0.034 0.000 0.842 311 V CB 1.580 33.415 31.823 0.021 0.000 0.996 311 V HN 0.677 nan 8.190 nan 0.000 0.426 312 V N 4.569 124.513 119.914 0.051 0.000 2.318 312 V HA 0.288 4.409 4.120 0.000 0.000 0.271 312 V C 0.519 176.639 176.094 0.044 0.000 1.030 312 V CA -0.610 61.726 62.300 0.059 0.000 0.844 312 V CB 0.998 32.864 31.823 0.072 0.000 1.015 312 V HN 0.887 nan 8.190 nan 0.000 0.460 313 E N 3.760 123.978 120.200 0.030 0.000 1.939 313 E HA 0.114 4.464 4.350 0.000 0.000 0.259 313 E C 1.357 177.969 176.600 0.021 0.000 1.259 313 E CA 0.190 56.601 56.400 0.017 0.000 0.971 313 E CB 0.734 30.433 29.700 -0.003 0.000 1.055 313 E HN 0.879 nan 8.360 nan 0.000 0.420 314 G N 2.850 111.669 108.800 0.032 0.000 2.421 314 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 314 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 314 G C 0.736 175.652 174.900 0.027 0.000 1.143 314 G CA 0.627 45.749 45.100 0.037 0.000 0.784 314 G HN 0.526 nan 8.290 nan 0.000 0.541 315 A N -0.073 122.760 122.820 0.022 0.000 2.717 315 A HA 0.641 4.961 4.320 0.000 0.000 0.262 315 A C -0.190 177.390 177.584 -0.007 0.000 1.483 315 A CA -0.632 51.413 52.037 0.014 0.000 0.889 315 A CB 0.396 19.410 19.000 0.022 0.000 1.604 315 A HN 0.129 nan 8.150 nan 0.000 0.523 316 N N -0.177 118.515 118.700 -0.012 0.000 2.469 316 N HA 0.434 5.174 4.740 0.000 0.000 0.253 316 N C 0.346 175.832 175.510 -0.040 0.000 0.970 316 N CA 0.995 54.020 53.050 -0.042 0.000 0.940 316 N CB 1.054 39.517 38.487 -0.040 0.000 1.128 316 N HN 1.275 nan 8.380 nan 0.000 0.503 317 G N 3.818 112.582 108.800 -0.060 0.000 2.323 317 G HA2 -0.201 3.759 3.960 0.000 0.000 0.292 317 G HA3 -0.201 3.759 3.960 0.000 0.000 0.292 317 G C -1.580 173.318 174.900 -0.003 0.000 1.040 317 G CA -0.376 44.700 45.100 -0.040 0.000 0.942 317 G HN 0.465 nan 8.290 nan 0.000 0.506 318 P HA -0.009 nan 4.420 nan 0.000 0.218 318 P C 1.368 178.684 177.300 0.027 0.000 1.149 318 P CA 1.952 65.064 63.100 0.019 0.000 0.817 318 P CB 0.069 31.779 31.700 0.016 0.000 0.785 319 T N -2.309 112.256 114.554 0.018 0.000 2.767 319 T HA 0.441 4.791 4.350 0.000 0.000 0.288 319 T C 0.214 174.933 174.700 0.032 0.000 0.963 319 T CA -0.708 61.406 62.100 0.023 0.000 1.019 319 T CB 0.482 69.357 68.868 0.012 0.000 0.923 319 T HN -0.043 nan 8.240 nan 0.000 0.468 320 T N 2.240 116.825 114.554 0.052 0.000 2.868 320 T HA 0.296 4.646 4.350 0.000 0.000 0.292 320 T C -1.481 173.243 174.700 0.040 0.000 1.028 320 T CA -1.647 60.484 62.100 0.053 0.000 1.059 320 T CB 0.362 69.276 68.868 0.076 0.000 0.991 320 T HN 0.329 nan 8.240 nan 0.000 0.531 321 P HA -0.132 nan 4.420 nan 0.000 0.216 321 P C 1.349 178.665 177.300 0.026 0.000 1.150 321 P CA 1.119 64.236 63.100 0.028 0.000 0.837 321 P CB 0.111 31.826 31.700 0.025 0.000 0.786 322 E N 0.514 120.733 120.200 0.032 0.000 2.077 322 E HA -0.147 4.203 4.350 0.000 0.000 0.193 322 E C 2.189 178.808 176.600 0.030 0.000 0.989 322 E CA 1.543 57.961 56.400 0.031 0.000 0.800 322 E CB -1.348 28.376 29.700 0.040 0.000 0.746 322 E HN 0.234 nan 8.360 nan 0.000 0.452 323 A N 2.122 124.964 122.820 0.036 0.000 1.902 323 A HA -0.214 4.106 4.320 0.000 0.000 0.217 323 A C 1.967 179.560 177.584 0.015 0.000 1.181 323 A CA 1.739 53.790 52.037 0.023 0.000 0.623 323 A CB -0.466 18.547 19.000 0.022 0.000 0.818 323 A HN 0.088 nan 8.150 nan 0.000 0.443 324 D N -0.267 120.144 120.400 0.018 0.000 2.108 324 D HA -0.183 4.457 4.640 0.000 0.000 0.190 324 D C 1.940 178.247 176.300 0.012 0.000 0.995 324 D CA 1.702 55.711 54.000 0.015 0.000 0.834 324 D CB -0.388 40.423 40.800 0.019 0.000 0.967 324 D HN 0.614 nan 8.370 nan 0.000 0.446 325 E N 0.157 120.364 120.200 0.012 0.000 2.065 325 E HA -0.201 4.150 4.350 0.000 0.000 0.201 325 E C 2.451 179.056 176.600 0.008 0.000 1.016 325 E CA 0.874 57.279 56.400 0.009 0.000 0.818 325 E CB -0.184 29.521 29.700 0.009 0.000 0.749 325 E HN 0.374 nan 8.360 nan 0.000 0.453 326 I N 0.887 121.462 120.570 0.009 0.000 2.179 326 I HA -0.298 3.872 4.170 0.000 0.000 0.242 326 I C 2.476 178.595 176.117 0.004 0.000 1.088 326 I CA 1.047 62.351 61.300 0.007 0.000 1.357 326 I CB -0.352 37.652 38.000 0.007 0.000 1.051 326 I HN 0.122 nan 8.210 nan 0.000 0.409 327 L N -0.131 121.094 121.223 0.004 0.000 2.046 327 L HA -0.195 4.145 4.340 0.000 0.000 0.208 327 L C 2.733 179.606 176.870 0.004 0.000 1.077 327 L CA 1.205 56.046 54.840 0.003 0.000 0.747 327 L CB -0.579 41.482 42.059 0.002 0.000 0.896 327 L HN 0.169 nan 8.230 nan 0.000 0.432 328 S N -0.698 115.005 115.700 0.005 0.000 2.356 328 S HA -0.180 4.290 4.470 0.000 0.000 0.223 328 S C 2.093 176.697 174.600 0.005 0.000 1.032 328 S CA 1.056 59.260 58.200 0.005 0.000 1.005 328 S CB -0.231 62.973 63.200 0.006 0.000 0.867 328 S HN 0.285 nan 8.310 nan 0.000 0.449 329 R N 0.929 121.432 120.500 0.005 0.000 2.096 329 R HA -0.058 4.282 4.340 0.000 0.000 0.240 329 R C 2.167 178.469 176.300 0.004 0.000 1.139 329 R CA 1.419 57.522 56.100 0.004 0.000 0.952 329 R CB -0.163 30.139 30.300 0.004 0.000 0.854 329 R HN 0.308 nan 8.270 nan 0.000 0.436 330 R N -1.055 119.447 120.500 0.004 0.000 2.316 330 R HA 0.009 4.349 4.340 0.000 0.000 0.202 330 R C 1.032 177.335 176.300 0.005 0.000 1.029 330 R CA 0.626 56.728 56.100 0.003 0.000 1.018 330 R CB 0.208 30.509 30.300 0.001 0.000 0.888 330 R HN 0.523 nan 8.270 nan 0.000 0.471 331 G N 1.546 110.349 108.800 0.006 0.000 2.147 331 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 331 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 331 G C 0.105 175.011 174.900 0.010 0.000 1.005 331 G CA -0.182 44.923 45.100 0.008 0.000 0.713 331 G HN 0.245 nan 8.290 nan 0.000 0.515 332 I N 0.346 120.921 120.570 0.009 0.000 2.365 332 I HA 0.386 4.556 4.170 0.000 0.000 0.291 332 I C 0.679 176.804 176.117 0.013 0.000 1.004 332 I CA -1.095 60.212 61.300 0.011 0.000 1.311 332 I CB 1.305 39.309 38.000 0.008 0.000 1.401 332 I HN 0.057 nan 8.210 nan 0.000 0.491 333 L N 8.467 129.702 121.223 0.020 0.000 2.361 333 L HA 0.232 4.572 4.340 0.000 0.000 0.278 333 L C -0.336 176.546 176.870 0.020 0.000 1.113 333 L CA 0.318 55.171 54.840 0.021 0.000 0.849 333 L CB 0.805 42.889 42.059 0.040 0.000 1.155 333 L HN 0.338 nan 8.230 nan 0.000 0.452 334 V N 6.683 126.600 119.914 0.006 0.000 2.304 334 V HA 0.263 4.383 4.120 0.000 0.000 0.278 334 V C -0.225 175.861 176.094 -0.013 0.000 1.018 334 V CA -0.795 61.507 62.300 0.003 0.000 0.814 334 V CB 1.447 33.270 31.823 0.001 0.000 1.021 334 V HN 0.512 nan 8.190 nan 0.000 0.440 335 V N 7.967 127.883 119.914 0.003 0.000 2.439 335 V HA 0.198 4.318 4.120 0.000 0.000 0.271 335 V C -1.703 174.372 176.094 -0.032 0.000 1.040 335 V CA -1.564 60.725 62.300 -0.019 0.000 1.002 335 V CB 0.639 32.500 31.823 0.063 0.000 1.000 335 V HN 0.656 nan 8.190 nan 0.000 0.477 336 P HA 0.041 nan 4.420 nan 0.000 0.265 336 P C 0.467 177.713 177.300 -0.089 0.000 1.193 336 P CA -0.010 63.034 63.100 -0.094 0.000 0.765 336 P CB 0.769 32.373 31.700 -0.160 0.000 0.823 337 D N 4.605 124.953 120.400 -0.086 0.000 2.123 337 D HA -0.204 4.436 4.640 0.000 0.000 0.196 337 D C 1.797 178.043 176.300 -0.091 0.000 0.992 337 D CA 1.246 55.201 54.000 -0.075 0.000 0.833 337 D CB -0.716 40.032 40.800 -0.087 0.000 0.954 337 D HN 0.504 nan 8.370 nan 0.000 0.455 338 I N -1.269 119.210 120.570 -0.151 0.000 2.300 338 I HA -0.239 3.931 4.170 0.000 0.000 0.252 338 I C 2.413 178.476 176.117 -0.090 0.000 1.119 338 I CA 1.248 62.465 61.300 -0.138 0.000 1.384 338 I CB -0.377 37.478 38.000 -0.242 0.000 1.062 338 I HN -0.011 nan 8.210 nan 0.000 0.426 339 L N 1.334 122.501 121.223 -0.093 0.000 2.286 339 L HA 0.357 4.697 4.340 0.000 0.000 0.203 339 L C 2.614 179.491 176.870 0.011 0.000 1.068 339 L CA 1.638 56.453 54.840 -0.041 0.000 0.811 339 L CB -0.702 41.318 42.059 -0.064 0.000 0.989 339 L HN 0.167 nan 8.230 nan 0.000 0.467 340 A N 1.226 124.052 122.820 0.009 0.000 1.851 340 A HA -0.250 4.070 4.320 0.000 0.000 0.216 340 A C 1.516 179.120 177.584 0.034 0.000 1.195 340 A CA 2.035 54.096 52.037 0.041 0.000 0.622 340 A CB -1.267 17.752 19.000 0.032 0.000 0.831 340 A HN 0.741 nan 8.150 nan 0.000 0.444 341 N N -0.396 118.312 118.700 0.013 0.000 2.378 341 N HA 0.453 5.193 4.740 0.000 0.000 0.243 341 N C 0.514 176.029 175.510 0.009 0.000 1.137 341 N CA 0.693 53.753 53.050 0.015 0.000 0.862 341 N CB 0.058 38.551 38.487 0.011 0.000 1.116 341 N HN 0.323 nan 8.380 nan 0.000 0.499 342 A N -0.250 122.577 122.820 0.011 0.000 2.167 342 A HA 0.247 4.567 4.320 0.000 0.000 0.214 342 A C 2.146 179.736 177.584 0.010 0.000 1.151 342 A CA 0.676 52.718 52.037 0.008 0.000 0.735 342 A CB -0.962 18.043 19.000 0.009 0.000 0.802 342 A HN 0.419 nan 8.150 nan 0.000 0.467 343 G N 0.410 109.222 108.800 0.020 0.000 2.547 343 G HA2 -0.164 3.796 3.960 0.000 0.000 0.221 343 G HA3 -0.164 3.796 3.960 0.000 0.000 0.221 343 G C 1.533 176.436 174.900 0.006 0.000 1.140 343 G CA 1.398 46.512 45.100 0.022 0.000 0.760 343 G HN 0.661 nan 8.290 nan 0.000 0.583 344 G N 0.462 109.263 108.800 0.001 0.000 2.545 344 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 344 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 344 G C 1.808 176.699 174.900 -0.014 0.000 1.218 344 G CA 1.644 46.740 45.100 -0.007 0.000 0.787 344 G HN 0.365 nan 8.290 nan 0.000 0.571 345 V N 1.242 121.147 119.914 -0.015 0.000 2.380 345 V HA -0.235 3.885 4.120 0.000 0.000 0.251 345 V C 3.174 179.266 176.094 -0.003 0.000 1.063 345 V CA 2.447 64.738 62.300 -0.014 0.000 1.055 345 V CB -1.176 30.642 31.823 -0.008 0.000 0.657 345 V HN 0.453 nan 8.190 nan 0.000 0.455 346 T N -0.045 114.484 114.554 -0.041 0.000 2.684 346 T HA -0.177 4.173 4.350 0.000 0.000 0.267 346 T C 1.893 176.365 174.700 -0.381 0.000 1.036 346 T CA 1.755 63.763 62.100 -0.153 0.000 1.148 346 T CB -0.332 68.476 68.868 -0.100 0.000 0.863 346 T HN 0.334 nan 8.240 nan 0.000 0.436 347 V N 1.820 121.633 119.914 -0.168 0.000 2.667 347 V HA -0.118 4.002 4.120 0.000 0.000 0.252 347 V C 2.779 178.875 176.094 0.003 0.000 1.065 347 V CA 1.686 63.962 62.300 -0.039 0.000 1.083 347 V CB -0.704 31.177 31.823 0.096 0.000 0.692 347 V HN 0.641 nan 8.190 nan 0.000 0.468 348 S N -0.167 115.537 115.700 0.006 0.000 2.402 348 S HA -0.259 4.211 4.470 0.000 0.000 0.229 348 S C 2.070 176.771 174.600 0.168 0.000 1.021 348 S CA 1.605 59.833 58.200 0.047 0.000 0.974 348 S CB -0.537 62.654 63.200 -0.015 0.000 0.800 348 S HN 0.669 nan 8.310 nan 0.000 0.484 349 Y N 1.734 122.091 120.300 0.095 0.000 2.163 349 Y HA -0.004 4.546 4.550 0.000 0.000 0.288 349 Y C 1.655 177.747 175.900 0.320 0.000 1.136 349 Y CA 1.307 59.632 58.100 0.374 0.000 1.147 349 Y CB -0.963 37.623 38.460 0.209 0.000 0.987 349 Y HN 0.272 nan 8.280 nan 0.000 0.509 350 F N 1.199 121.114 119.950 -0.057 0.000 2.161 350 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 350 F C 2.643 178.166 175.800 -0.463 0.000 1.089 350 F CA 1.602 59.395 58.000 -0.345 0.000 1.282 350 F CB -1.252 37.685 39.000 -0.105 0.000 1.010 350 F HN 0.234 nan 8.300 nan 0.000 0.485 351 E N -0.867 119.324 120.200 -0.015 0.000 2.051 351 E HA -0.284 4.066 4.350 0.000 0.000 0.192 351 E C 2.197 178.783 176.600 -0.023 0.000 0.991 351 E CA 1.458 57.827 56.400 -0.052 0.000 0.799 351 E CB -0.502 29.224 29.700 0.045 0.000 0.748 351 E HN 0.478 nan 8.360 nan 0.000 0.449 352 W N 0.744 121.995 121.300 -0.082 0.000 2.374 352 W HA -0.176 4.484 4.660 0.000 0.000 0.288 352 W C 1.758 178.218 176.519 -0.099 0.000 1.218 352 W CA 1.218 58.545 57.345 -0.030 0.000 1.245 352 W CB -0.263 29.293 29.460 0.160 0.000 1.126 352 W HN -0.086 nan 8.180 nan 0.000 0.545 353 V N 0.475 120.212 119.914 -0.294 0.000 2.283 353 V HA -0.310 3.810 4.120 0.000 0.000 0.243 353 V C 2.320 178.122 176.094 -0.488 0.000 1.039 353 V CA 2.315 64.325 62.300 -0.485 0.000 1.016 353 V CB -1.172 30.433 31.823 -0.365 0.000 0.650 353 V HN 0.140 nan 8.190 nan 0.000 0.449 354 Q N -0.333 119.089 119.800 -0.630 0.000 2.152 354 Q HA -0.263 4.077 4.340 0.000 0.000 0.206 354 Q C 2.032 177.586 176.000 -0.743 0.000 0.985 354 Q CA 1.984 57.300 55.803 -0.811 0.000 0.863 354 Q CB -0.171 27.942 28.738 -1.042 0.000 0.904 354 Q HN 0.626 nan 8.270 nan 0.000 0.422 355 D N -0.335 119.758 120.400 -0.513 0.000 2.144 355 D HA -0.120 4.520 4.640 0.000 0.000 0.200 355 D C 1.732 177.860 176.300 -0.286 0.000 0.978 355 D CA 0.662 54.467 54.000 -0.325 0.000 0.833 355 D CB 0.064 40.792 40.800 -0.121 0.000 0.961 355 D HN 0.142 nan 8.370 nan 0.000 0.470 356 L N 1.117 122.106 121.223 -0.390 0.000 2.017 356 L HA -0.166 4.174 4.340 0.000 0.000 0.208 356 L C 2.238 178.995 176.870 -0.188 0.000 1.073 356 L CA 1.659 56.309 54.840 -0.317 0.000 0.745 356 L CB -1.155 40.625 42.059 -0.465 0.000 0.894 356 L HN 0.244 nan 8.230 nan 0.000 0.432 357 Q N -2.452 117.227 119.800 -0.201 0.000 2.360 357 Q HA 0.108 4.449 4.340 0.000 0.000 0.202 357 Q C 0.772 176.714 176.000 -0.097 0.000 0.915 357 Q CA 0.611 56.347 55.803 -0.112 0.000 0.943 357 Q CB 0.132 28.836 28.738 -0.057 0.000 1.064 357 Q HN 0.223 nan 8.270 nan 0.000 0.511 358 S N -0.254 115.332 115.700 -0.189 0.000 3.445 358 S HA -0.183 4.287 4.470 0.000 0.000 0.319 358 S C -0.563 173.988 174.600 -0.081 0.000 1.209 358 S CA 0.705 58.821 58.200 -0.141 0.000 0.934 358 S CB -1.081 62.137 63.200 0.031 0.000 0.999 358 S HN 0.628 nan 8.310 nan 0.000 0.582 359 F N 1.138 120.811 119.950 -0.462 0.000 2.495 359 F HA 0.709 5.237 4.527 0.000 0.000 0.327 359 F C -0.636 174.835 175.800 -0.548 0.000 1.103 359 F CA -1.719 56.130 58.000 -0.250 0.000 0.949 359 F CB 0.906 39.867 39.000 -0.065 0.000 1.142 359 F HN -0.021 nan 8.300 nan 0.000 0.457 360 F N 4.156 123.854 119.950 -0.419 0.000 2.495 360 F HA 0.425 4.952 4.527 0.000 0.000 0.327 360 F C -0.708 174.875 175.800 -0.361 0.000 1.103 360 F CA -1.064 56.686 58.000 -0.416 0.000 0.949 360 F CB 0.898 39.740 39.000 -0.264 0.000 1.142 360 F HN 0.279 nan 8.300 nan 0.000 0.457 361 W N 1.449 122.645 121.300 -0.174 0.000 2.215 361 W HA 0.333 4.993 4.660 -0.000 0.000 0.342 361 W C -0.150 176.300 176.519 -0.115 0.000 1.237 361 W CA -1.361 55.868 57.345 -0.193 0.000 1.283 361 W CB 0.181 29.533 29.460 -0.181 0.000 1.131 361 W HN 0.513 nan 8.180 nan 0.000 0.606 362 D N -0.399 120.078 120.400 0.129 0.000 2.348 362 D HA 0.230 4.870 4.640 0.000 0.000 0.249 362 D C 1.111 177.449 176.300 0.064 0.000 1.110 362 D CA -0.682 53.352 54.000 0.057 0.000 0.967 362 D CB 0.887 41.696 40.800 0.014 0.000 1.139 362 D HN 0.077 nan 8.370 nan 0.000 0.466 363 L N 1.107 122.352 121.223 0.037 0.000 1.997 363 L HA -0.297 4.043 4.340 0.000 0.000 0.227 363 L C 1.179 178.063 176.870 0.023 0.000 1.087 363 L CA 2.305 57.164 54.840 0.031 0.000 0.797 363 L CB -1.073 40.993 42.059 0.013 0.000 0.902 363 L HN 0.589 nan 8.230 nan 0.000 0.441 364 D N -1.163 119.240 120.400 0.004 0.000 2.154 364 D HA -0.271 4.369 4.640 0.000 0.000 0.190 364 D C 2.146 178.426 176.300 -0.034 0.000 1.003 364 D CA 1.857 55.848 54.000 -0.014 0.000 0.849 364 D CB -0.207 40.579 40.800 -0.023 0.000 0.942 364 D HN 0.546 nan 8.370 nan 0.000 0.446 365 Q N 0.032 119.804 119.800 -0.047 0.000 1.985 365 Q HA -0.176 4.164 4.340 0.000 0.000 0.207 365 Q C 2.445 178.379 176.000 -0.110 0.000 0.996 365 Q CA 1.606 57.332 55.803 -0.129 0.000 0.851 365 Q CB -0.361 28.290 28.738 -0.146 0.000 0.921 365 Q HN 0.219 nan 8.270 nan 0.000 0.418 366 V N 0.820 120.761 119.914 0.046 0.000 2.324 366 V HA -0.332 3.789 4.120 0.000 0.000 0.250 366 V C 2.251 178.380 176.094 0.060 0.000 1.060 366 V CA 2.201 64.552 62.300 0.084 0.000 1.042 366 V CB -0.663 31.275 31.823 0.192 0.000 0.650 366 V HN 0.289 nan 8.190 nan 0.000 0.450 367 R N 0.326 120.851 120.500 0.042 0.000 2.097 367 R HA -0.197 4.143 4.340 0.000 0.000 0.236 367 R C 2.259 178.575 176.300 0.027 0.000 1.135 367 R CA 2.498 58.621 56.100 0.039 0.000 0.934 367 R CB -0.579 29.729 30.300 0.013 0.000 0.846 367 R HN 0.667 nan 8.270 nan 0.000 0.431 368 N N -0.283 118.404 118.700 -0.022 0.000 2.036 368 N HA -0.230 4.510 4.740 0.000 0.000 0.195 368 N C 1.767 177.260 175.510 -0.028 0.000 1.037 368 N CA 1.390 54.418 53.050 -0.037 0.000 0.855 368 N CB -0.226 38.214 38.487 -0.079 0.000 1.033 368 N HN 0.280 nan 8.380 nan 0.000 0.423 369 A N 1.108 123.866 122.820 -0.103 0.000 1.873 369 A HA -0.171 4.149 4.320 0.000 0.000 0.218 369 A C 2.194 179.912 177.584 0.223 0.000 1.193 369 A CA 1.316 53.289 52.037 -0.107 0.000 0.629 369 A CB -0.978 17.647 19.000 -0.626 0.000 0.826 369 A HN 0.304 nan 8.150 nan 0.000 0.447 370 L N -0.004 121.427 121.223 0.346 0.000 1.989 370 L HA -0.206 4.134 4.340 0.000 0.000 0.211 370 L C 2.362 179.362 176.870 0.215 0.000 1.071 370 L CA 2.566 57.658 54.840 0.419 0.000 0.749 370 L CB -0.602 41.657 42.059 0.334 0.000 0.890 370 L HN 0.503 nan 8.230 nan 0.000 0.431 371 E N -0.271 120.007 120.200 0.130 0.000 2.085 371 E HA -0.307 4.043 4.350 0.000 0.000 0.194 371 E C 2.158 178.800 176.600 0.071 0.000 0.994 371 E CA 1.579 58.024 56.400 0.074 0.000 0.801 371 E CB -0.220 29.503 29.700 0.038 0.000 0.743 371 E HN 0.546 nan 8.360 nan 0.000 0.453 372 K N 0.821 121.267 120.400 0.076 0.000 1.991 372 K HA -0.159 4.161 4.320 0.000 0.000 0.212 372 K C 2.251 178.908 176.600 0.096 0.000 1.049 372 K CA 1.553 57.880 56.287 0.066 0.000 0.932 372 K CB -0.079 32.451 32.500 0.049 0.000 0.717 372 K HN 0.030 nan 8.250 nan 0.000 0.441 373 M N -0.051 119.639 119.600 0.151 0.000 2.159 373 M HA -0.173 4.307 4.480 0.000 0.000 0.263 373 M C 2.333 178.706 176.300 0.122 0.000 1.063 373 M CA 1.124 56.517 55.300 0.154 0.000 1.110 373 M CB -0.180 32.555 32.600 0.226 0.000 1.374 373 M HN 0.252 nan 8.290 nan 0.000 0.411 374 M N 0.611 120.283 119.600 0.121 0.000 2.080 374 M HA -0.199 4.281 4.480 0.000 0.000 0.260 374 M C 1.978 178.346 176.300 0.113 0.000 1.068 374 M CA 1.936 57.300 55.300 0.107 0.000 1.109 374 M CB -0.934 31.719 32.600 0.088 0.000 1.342 374 M HN 0.158 nan 8.290 nan 0.000 0.405 375 K N -0.420 120.024 120.400 0.074 0.000 2.032 375 K HA -0.218 4.102 4.320 0.000 0.000 0.209 375 K C 2.115 178.786 176.600 0.117 0.000 1.048 375 K CA 1.562 57.882 56.287 0.055 0.000 0.927 375 K CB -0.251 32.257 32.500 0.013 0.000 0.712 375 K HN 0.275 nan 8.250 nan 0.000 0.441 376 K N 0.704 121.162 120.400 0.098 0.000 2.009 376 K HA -0.193 4.127 4.320 0.000 0.000 0.210 376 K C 2.159 178.824 176.600 0.108 0.000 1.049 376 K CA 1.477 57.820 56.287 0.093 0.000 0.929 376 K CB -0.205 32.340 32.500 0.074 0.000 0.714 376 K HN 0.149 nan 8.250 nan 0.000 0.440 377 A N 0.946 123.830 122.820 0.107 0.000 1.903 377 A HA -0.234 4.087 4.320 0.000 0.000 0.219 377 A C 2.039 179.688 177.584 0.109 0.000 1.191 377 A CA 1.804 53.894 52.037 0.087 0.000 0.638 377 A CB -0.977 18.071 19.000 0.080 0.000 0.823 377 A HN 0.524 nan 8.150 nan 0.000 0.451 378 F N 1.330 121.283 119.950 0.005 0.000 2.026 378 F HA -0.242 4.285 4.527 -0.000 0.000 0.296 378 F C 2.317 178.118 175.800 0.002 0.000 1.133 378 F CA 2.341 60.343 58.000 0.002 0.000 1.188 378 F CB -0.346 38.659 39.000 0.008 0.000 0.968 378 F HN 0.246 nan 8.300 nan 0.000 0.476 379 N N 0.560 119.468 118.700 0.347 0.000 2.094 379 N HA -0.216 4.524 4.740 0.000 0.000 0.191 379 N C 1.416 176.971 175.510 0.074 0.000 1.023 379 N CA 1.858 55.030 53.050 0.205 0.000 0.857 379 N CB -0.704 37.879 38.487 0.159 0.000 1.013 379 N HN 0.376 nan 8.380 nan 0.000 0.426 380 D N 0.466 120.899 120.400 0.054 0.000 2.117 380 D HA -0.076 4.564 4.640 0.000 0.000 0.197 380 D C 2.112 178.397 176.300 -0.024 0.000 0.987 380 D CA 0.486 54.495 54.000 0.016 0.000 0.829 380 D CB -0.209 40.601 40.800 0.017 0.000 0.961 380 D HN 0.026 nan 8.370 nan 0.000 0.460 381 V N 0.636 120.509 119.914 -0.069 0.000 2.358 381 V HA -0.223 3.897 4.120 0.000 0.000 0.246 381 V C 2.405 178.421 176.094 -0.129 0.000 1.047 381 V CA 1.078 63.302 62.300 -0.127 0.000 1.035 381 V CB -0.328 31.370 31.823 -0.209 0.000 0.658 381 V HN 0.218 nan 8.190 nan 0.000 0.452 382 M N -0.085 119.428 119.600 -0.145 0.000 2.080 382 M HA -0.206 4.274 4.480 0.000 0.000 0.260 382 M C 2.152 178.437 176.300 -0.025 0.000 1.068 382 M CA 1.837 57.080 55.300 -0.096 0.000 1.109 382 M CB -1.147 31.432 32.600 -0.036 0.000 1.342 382 M HN 0.306 nan 8.290 nan 0.000 0.405 383 K N -0.499 119.900 120.400 -0.002 0.000 2.001 383 K HA -0.156 4.164 4.320 0.000 0.000 0.214 383 K C 1.944 178.565 176.600 0.035 0.000 1.050 383 K CA 1.605 57.904 56.287 0.020 0.000 0.934 383 K CB -0.463 32.050 32.500 0.022 0.000 0.718 383 K HN 0.123 nan 8.250 nan 0.000 0.443 384 V N 1.833 121.760 119.914 0.022 0.000 2.469 384 V HA -0.275 3.845 4.120 0.000 0.000 0.251 384 V C 2.324 178.462 176.094 0.074 0.000 1.064 384 V CA 1.623 63.954 62.300 0.051 0.000 1.066 384 V CB -0.435 31.363 31.823 -0.043 0.000 0.667 384 V HN 0.357 nan 8.190 nan 0.000 0.461 385 K N 0.277 120.683 120.400 0.011 0.000 2.009 385 K HA -0.257 4.063 4.320 0.000 0.000 0.210 385 K C 2.133 178.769 176.600 0.061 0.000 1.049 385 K CA 2.193 58.488 56.287 0.014 0.000 0.929 385 K CB -0.164 32.315 32.500 -0.035 0.000 0.714 385 K HN 0.547 nan 8.250 nan 0.000 0.440 386 E N 0.225 120.453 120.200 0.047 0.000 2.150 386 E HA -0.180 4.170 4.350 0.000 0.000 0.193 386 E C 1.940 178.572 176.600 0.054 0.000 0.985 386 E CA 1.016 57.441 56.400 0.043 0.000 0.814 386 E CB 0.082 29.799 29.700 0.028 0.000 0.752 386 E HN 0.240 nan 8.360 nan 0.000 0.466 387 K N -0.387 120.070 120.400 0.095 0.000 2.288 387 K HA -0.117 4.203 4.320 0.000 0.000 0.201 387 K C 0.817 177.415 176.600 -0.003 0.000 1.048 387 K CA 1.082 57.410 56.287 0.067 0.000 0.956 387 K CB 0.182 32.770 32.500 0.146 0.000 0.746 387 K HN 0.187 nan 8.250 nan 0.000 0.461 388 Y N -0.947 119.341 120.300 -0.020 0.000 2.453 388 Y HA 0.146 4.696 4.550 -0.000 0.000 0.247 388 Y C 0.048 175.937 175.900 -0.020 0.000 1.124 388 Y CA -0.342 57.745 58.100 -0.021 0.000 1.243 388 Y CB 0.607 39.053 38.460 -0.025 0.000 1.213 388 Y HN 0.097 nan 8.280 nan 0.000 0.523 389 N N 0.873 119.642 118.700 0.114 0.000 2.714 389 N HA -0.167 4.573 4.740 0.000 0.000 0.253 389 N C -0.812 174.734 175.510 0.059 0.000 1.024 389 N CA 0.797 53.882 53.050 0.059 0.000 0.726 389 N CB -0.915 37.588 38.487 0.026 0.000 0.908 389 N HN 0.245 nan 8.380 nan 0.000 0.542 390 V N -3.267 116.686 119.914 0.066 0.000 3.184 390 V HA 0.669 4.789 4.120 0.000 0.000 0.308 390 V C 0.443 176.545 176.094 0.014 0.000 1.243 390 V CA -0.766 61.559 62.300 0.041 0.000 1.058 390 V CB 1.207 33.057 31.823 0.045 0.000 1.183 390 V HN 0.181 nan 8.190 nan 0.000 0.471 391 D N -0.031 120.373 120.400 0.007 0.000 2.424 391 D HA 0.106 4.746 4.640 0.000 0.000 0.244 391 D C 1.037 177.326 176.300 -0.018 0.000 1.134 391 D CA 0.532 54.532 54.000 -0.001 0.000 0.881 391 D CB 1.087 41.892 40.800 0.009 0.000 1.191 391 D HN 0.730 nan 8.370 nan 0.000 0.445 392 M N 3.980 123.555 119.600 -0.041 0.000 2.108 392 M HA -0.255 4.225 4.480 0.000 0.000 0.257 392 M C 2.029 178.279 176.300 -0.084 0.000 1.071 392 M CA 1.626 56.874 55.300 -0.086 0.000 1.093 392 M CB 0.028 32.556 32.600 -0.122 0.000 1.345 392 M HN 0.507 nan 8.290 nan 0.000 0.403 393 R N -0.755 119.721 120.500 -0.039 0.000 2.083 393 R HA -0.152 4.188 4.340 0.000 0.000 0.237 393 R C 1.768 178.129 176.300 0.102 0.000 1.137 393 R CA 2.313 58.410 56.100 -0.004 0.000 0.951 393 R CB -0.526 29.821 30.300 0.079 0.000 0.851 393 R HN 0.448 nan 8.270 nan 0.000 0.434 394 T N 0.801 115.418 114.554 0.106 0.000 2.746 394 T HA -0.134 4.216 4.350 0.000 0.000 0.267 394 T C 1.890 176.596 174.700 0.009 0.000 1.039 394 T CA 1.323 63.485 62.100 0.103 0.000 1.142 394 T CB -0.387 68.489 68.868 0.014 0.000 0.866 394 T HN 0.442 nan 8.240 nan 0.000 0.444 395 A N 1.997 124.782 122.820 -0.057 0.000 1.859 395 A HA 0.005 4.325 4.320 0.000 0.000 0.217 395 A C 2.749 180.257 177.584 -0.125 0.000 1.198 395 A CA 2.288 54.255 52.037 -0.117 0.000 0.629 395 A CB -1.452 17.485 19.000 -0.105 0.000 0.830 395 A HN 0.543 nan 8.150 nan 0.000 0.446 396 A N -1.770 120.963 122.820 -0.146 0.000 1.948 396 A HA -0.175 4.145 4.320 0.000 0.000 0.220 396 A C 2.105 179.570 177.584 -0.198 0.000 1.177 396 A CA 1.961 53.878 52.037 -0.200 0.000 0.636 396 A CB -0.852 17.970 19.000 -0.297 0.000 0.815 396 A HN 0.633 nan 8.150 nan 0.000 0.449 397 Y N -0.402 119.841 120.300 -0.095 0.000 2.200 397 Y HA -0.076 4.474 4.550 -0.000 0.000 0.290 397 Y C 2.235 178.011 175.900 -0.207 0.000 1.137 397 Y CA 1.167 59.185 58.100 -0.137 0.000 1.163 397 Y CB -0.375 38.004 38.460 -0.134 0.000 0.988 397 Y HN 0.237 nan 8.280 nan 0.000 0.518 398 I N -1.012 119.514 120.570 -0.074 0.000 2.142 398 I HA -0.300 3.870 4.170 0.000 0.000 0.240 398 I C 2.337 178.384 176.117 -0.117 0.000 1.078 398 I CA 0.974 62.165 61.300 -0.181 0.000 1.343 398 I CB -0.569 37.210 38.000 -0.369 0.000 1.046 398 I HN 0.179 nan 8.210 nan 0.000 0.405 399 L N 1.365 122.527 121.223 -0.102 0.000 2.051 399 L HA -0.261 4.079 4.340 0.000 0.000 0.214 399 L C 2.474 179.355 176.870 0.018 0.000 1.076 399 L CA 2.270 57.082 54.840 -0.047 0.000 0.758 399 L CB -1.050 40.978 42.059 -0.051 0.000 0.890 399 L HN 0.251 nan 8.230 nan 0.000 0.433 400 A N -0.108 122.740 122.820 0.046 0.000 1.835 400 A HA -0.175 4.145 4.320 0.000 0.000 0.215 400 A C 2.248 179.977 177.584 0.243 0.000 1.199 400 A CA 2.045 54.196 52.037 0.189 0.000 0.615 400 A CB -0.968 18.215 19.000 0.306 0.000 0.838 400 A HN 0.500 nan 8.150 nan 0.000 0.444 401 I N -0.012 120.596 120.570 0.063 0.000 2.185 401 I HA -0.330 3.840 4.170 0.000 0.000 0.246 401 I C 2.313 178.524 176.117 0.158 0.000 1.088 401 I CA 2.029 63.364 61.300 0.059 0.000 1.347 401 I CB -0.668 37.272 38.000 -0.101 0.000 1.041 401 I HN 0.407 nan 8.210 nan 0.000 0.415 402 D N 1.051 121.501 120.400 0.083 0.000 2.087 402 D HA -0.189 4.451 4.640 0.000 0.000 0.192 402 D C 2.359 178.745 176.300 0.143 0.000 0.993 402 D CA 1.638 55.692 54.000 0.090 0.000 0.828 402 D CB -0.063 40.757 40.800 0.032 0.000 0.968 402 D HN 0.118 nan 8.370 nan 0.000 0.448 403 R N -0.367 120.212 120.500 0.131 0.000 2.091 403 R HA -0.101 4.239 4.340 0.000 0.000 0.238 403 R C 2.395 178.812 176.300 0.196 0.000 1.136 403 R CA 1.142 57.332 56.100 0.149 0.000 0.959 403 R CB -0.396 29.970 30.300 0.110 0.000 0.856 403 R HN 0.188 nan 8.270 nan 0.000 0.437 404 V N 0.512 120.560 119.914 0.223 0.000 2.626 404 V HA -0.177 3.943 4.120 0.000 0.000 0.252 404 V C 2.265 178.471 176.094 0.188 0.000 1.067 404 V CA 1.763 64.191 62.300 0.213 0.000 1.081 404 V CB -0.365 31.660 31.823 0.336 0.000 0.686 404 V HN 0.394 nan 8.190 nan 0.000 0.468 405 A N -0.920 122.026 122.820 0.210 0.000 1.898 405 A HA -0.172 4.149 4.320 0.000 0.000 0.214 405 A C 2.132 179.814 177.584 0.164 0.000 1.183 405 A CA 1.358 53.501 52.037 0.177 0.000 0.622 405 A CB -0.700 18.407 19.000 0.177 0.000 0.824 405 A HN 0.544 nan 8.150 nan 0.000 0.444 406 Y N 1.055 121.395 120.300 0.067 0.000 2.165 406 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 406 Y C 2.625 178.550 175.900 0.041 0.000 1.155 406 Y CA 1.208 59.337 58.100 0.050 0.000 1.164 406 Y CB -0.597 37.891 38.460 0.045 0.000 0.978 406 Y HN 0.323 nan 8.280 nan 0.000 0.513 407 A N -0.338 122.518 122.820 0.061 0.000 1.851 407 A HA -0.248 4.072 4.320 0.000 0.000 0.216 407 A C 2.317 179.860 177.584 -0.068 0.000 1.195 407 A CA 3.029 55.049 52.037 -0.028 0.000 0.622 407 A CB -1.564 17.462 19.000 0.044 0.000 0.831 407 A HN 0.572 nan 8.150 nan 0.000 0.444 408 T N -0.650 113.895 114.554 -0.015 0.000 2.665 408 T HA -0.213 4.137 4.350 0.000 0.000 0.268 408 T C 1.864 176.538 174.700 -0.043 0.000 1.035 408 T CA 1.612 63.701 62.100 -0.018 0.000 1.151 408 T CB -0.363 68.514 68.868 0.016 0.000 0.862 408 T HN 0.490 nan 8.240 nan 0.000 0.438 409 K N 0.792 121.162 120.400 -0.051 0.000 1.991 409 K HA -0.070 4.250 4.320 0.000 0.000 0.212 409 K C 2.498 179.023 176.600 -0.126 0.000 1.049 409 K CA 1.128 57.375 56.287 -0.066 0.000 0.932 409 K CB -0.134 32.338 32.500 -0.047 0.000 0.717 409 K HN 0.134 nan 8.250 nan 0.000 0.441 410 K N 0.778 121.030 120.400 -0.247 0.000 2.362 410 K HA -0.096 4.224 4.320 0.000 0.000 0.200 410 K C 2.026 178.540 176.600 -0.143 0.000 1.046 410 K CA 0.991 57.123 56.287 -0.258 0.000 0.952 410 K CB -0.044 32.179 32.500 -0.461 0.000 0.753 410 K HN 0.108 nan 8.250 nan 0.000 0.466 411 R N -0.758 119.678 120.500 -0.107 0.000 2.090 411 R HA 0.060 4.400 4.340 0.000 0.000 0.219 411 R C 0.671 176.944 176.300 -0.046 0.000 1.100 411 R CA 0.843 56.904 56.100 -0.065 0.000 0.991 411 R CB 0.309 30.578 30.300 -0.050 0.000 0.893 411 R HN 0.297 nan 8.270 nan 0.000 0.443 412 G N 0.000 108.775 108.800 -0.041 0.000 5.446 412 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 412 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 412 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925