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 1b26_1_E DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMNLPFGGG 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 MKGAFNDVMK 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 0.000 174.612 174.600 0.020 0.000 1.055 4 S CA 0.000 58.212 58.200 0.020 0.000 1.107 4 S CB 0.000 63.222 63.200 0.036 0.000 0.593 5 L N 0.804 122.053 121.223 0.043 0.000 2.081 5 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 5 L C 2.075 178.965 176.870 0.033 0.000 1.080 5 L CA 2.295 57.171 54.840 0.060 0.000 0.754 5 L CB -1.229 40.881 42.059 0.085 0.000 0.893 5 L HN 0.857 nan 8.230 nan 0.000 0.433 6 Y N 0.732 120.960 120.300 -0.120 0.000 2.114 6 Y HA -0.230 4.320 4.550 0.000 0.000 0.284 6 Y C 2.420 178.149 175.900 -0.286 0.000 1.143 6 Y CA 2.170 60.127 58.100 -0.239 0.000 1.135 6 Y CB -0.435 37.891 38.460 -0.222 0.000 0.980 6 Y HN 0.384 nan 8.280 nan 0.000 0.499 7 E N -0.258 119.768 120.200 -0.290 0.000 2.130 7 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 7 E C 2.195 178.623 176.600 -0.287 0.000 0.998 7 E CA 1.779 57.974 56.400 -0.341 0.000 0.806 7 E CB -0.282 29.336 29.700 -0.135 0.000 0.738 7 E HN 0.563 nan 8.360 nan 0.000 0.459 8 M N 0.227 119.728 119.600 -0.166 0.000 2.117 8 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 8 M C 2.508 178.756 176.300 -0.086 0.000 1.065 8 M CA 1.417 56.673 55.300 -0.073 0.000 1.114 8 M CB -0.211 32.402 32.600 0.021 0.000 1.361 8 M HN 0.146 nan 8.290 nan 0.000 0.408 9 A N -0.024 122.676 122.820 -0.199 0.000 1.877 9 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 9 A C 2.210 179.500 177.584 -0.489 0.000 1.186 9 A CA 1.736 53.562 52.037 -0.352 0.000 0.620 9 A CB -1.071 17.412 19.000 -0.861 0.000 0.822 9 A HN 0.301 nan 8.150 nan 0.000 0.443 10 V N 0.080 119.528 119.914 -0.777 0.000 2.332 10 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 10 V C 2.496 178.487 176.094 -0.172 0.000 1.055 10 V CA 2.385 64.296 62.300 -0.650 0.000 1.038 10 V CB -0.849 30.520 31.823 -0.758 0.000 0.651 10 V HN 0.763 nan 8.190 nan 0.000 0.450 11 E N -0.140 119.959 120.200 -0.169 0.000 2.085 11 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 11 E C 2.334 178.900 176.600 -0.056 0.000 0.994 11 E CA 1.691 58.043 56.400 -0.081 0.000 0.801 11 E CB -0.105 29.555 29.700 -0.068 0.000 0.743 11 E HN 0.687 nan 8.360 nan 0.000 0.453 12 Q N -0.542 119.235 119.800 -0.038 0.000 2.124 12 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 12 Q C 2.084 177.967 176.000 -0.195 0.000 0.977 12 Q CA 1.493 57.244 55.803 -0.087 0.000 0.850 12 Q CB -0.273 28.460 28.738 -0.007 0.000 0.901 12 Q HN 0.362 nan 8.270 nan 0.000 0.429 13 F N 2.321 122.119 119.950 -0.254 0.000 2.095 13 F HA -0.228 4.299 4.527 0.000 0.000 0.298 13 F C 1.777 177.454 175.800 -0.205 0.000 1.104 13 F CA 1.384 59.220 58.000 -0.274 0.000 1.232 13 F CB -0.346 38.650 39.000 -0.007 0.000 0.987 13 F HN 0.024 nan 8.300 nan 0.000 0.475 14 N N 1.008 119.577 118.700 -0.219 0.000 2.094 14 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 14 N C 1.918 177.255 175.510 -0.288 0.000 1.023 14 N CA 1.776 54.659 53.050 -0.279 0.000 0.857 14 N CB -0.473 37.962 38.487 -0.088 0.000 1.013 14 N HN 0.445 nan 8.380 nan 0.000 0.426 15 R N 0.934 121.304 120.500 -0.216 0.000 2.103 15 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 15 R C 2.327 178.505 176.300 -0.203 0.000 1.132 15 R CA 1.730 57.731 56.100 -0.165 0.000 0.925 15 R CB -0.643 29.585 30.300 -0.120 0.000 0.842 15 R HN 0.207 nan 8.270 nan 0.000 0.430 16 A N 1.239 123.901 122.820 -0.263 0.000 1.978 16 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 16 A C 2.383 179.772 177.584 -0.325 0.000 1.170 16 A CA 1.715 53.591 52.037 -0.268 0.000 0.636 16 A CB -0.651 18.192 19.000 -0.261 0.000 0.810 16 A HN 0.471 nan 8.150 nan 0.000 0.448 17 A N -0.685 121.839 122.820 -0.493 0.000 1.972 17 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 17 A C 2.360 179.798 177.584 -0.242 0.000 1.169 17 A CA 1.959 53.705 52.037 -0.485 0.000 0.635 17 A CB -0.595 17.923 19.000 -0.803 0.000 0.810 17 A HN 0.453 nan 8.150 nan 0.000 0.446 18 S N -0.259 115.326 115.700 -0.192 0.000 2.446 18 S HA 0.065 4.535 4.470 -0.000 0.000 0.225 18 S C 1.642 176.216 174.600 -0.043 0.000 1.016 18 S CA 0.453 58.594 58.200 -0.098 0.000 0.943 18 S CB -0.145 63.005 63.200 -0.084 0.000 0.786 18 S HN 0.420 nan 8.310 nan 0.000 0.508 19 L N 1.456 122.655 121.223 -0.039 0.000 2.201 19 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 19 L C 0.940 177.914 176.870 0.174 0.000 1.105 19 L CA 1.234 56.113 54.840 0.064 0.000 0.775 19 L CB -0.963 41.122 42.059 0.044 0.000 0.913 19 L HN 0.501 nan 8.230 nan 0.000 0.440 20 M N -2.261 117.395 119.600 0.094 0.000 2.508 20 M HA 0.352 4.832 4.480 -0.000 0.000 0.327 20 M C -0.694 175.635 176.300 0.048 0.000 1.160 20 M CA -0.620 54.764 55.300 0.139 0.000 0.980 20 M CB 1.123 33.782 32.600 0.097 0.000 1.693 20 M HN -0.209 nan 8.290 nan 0.000 0.452 21 D N 2.881 123.312 120.400 0.052 0.000 2.545 21 D HA 0.293 4.933 4.640 -0.000 0.000 0.227 21 D C -1.025 175.294 176.300 0.031 0.000 1.150 21 D CA 0.044 54.061 54.000 0.028 0.000 1.046 21 D CB 0.012 40.826 40.800 0.024 0.000 1.098 21 D HN 0.338 nan 8.370 nan 0.000 0.502 22 L N 1.827 123.060 121.223 0.017 0.000 2.276 22 L HA 0.264 4.604 4.340 -0.000 0.000 0.286 22 L C -0.072 176.821 176.870 0.039 0.000 1.061 22 L CA -0.684 54.175 54.840 0.031 0.000 0.807 22 L CB 0.849 42.912 42.059 0.006 0.000 1.177 22 L HN 0.085 nan 8.230 nan 0.000 0.429 23 E N 2.582 122.815 120.200 0.055 0.000 2.480 23 E HA -0.031 4.319 4.350 -0.000 0.000 0.258 23 E C 1.201 177.838 176.600 0.062 0.000 0.984 23 E CA 0.697 57.129 56.400 0.053 0.000 0.930 23 E CB 0.767 30.501 29.700 0.057 0.000 0.936 23 E HN 0.706 nan 8.360 nan 0.000 0.466 24 S N 3.712 119.442 115.700 0.050 0.000 2.369 24 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 24 S C 1.524 176.167 174.600 0.071 0.000 1.043 24 S CA 1.994 60.227 58.200 0.055 0.000 1.074 24 S CB -0.235 62.988 63.200 0.040 0.000 0.962 24 S HN 0.769 nan 8.310 nan 0.000 0.433 25 D N 0.946 121.382 120.400 0.059 0.000 2.182 25 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 25 D C 2.029 178.373 176.300 0.075 0.000 0.986 25 D CA 1.147 55.182 54.000 0.059 0.000 0.847 25 D CB -0.730 40.097 40.800 0.045 0.000 0.942 25 D HN 0.493 nan 8.370 nan 0.000 0.467 26 L N 0.964 122.238 121.223 0.085 0.000 2.072 26 L HA 0.141 4.481 4.340 -0.000 0.000 0.205 26 L C 2.535 179.497 176.870 0.153 0.000 1.079 26 L CA 1.743 56.646 54.840 0.104 0.000 0.752 26 L CB -0.917 41.204 42.059 0.103 0.000 0.906 26 L HN 0.082 nan 8.230 nan 0.000 0.436 27 A N -0.527 122.402 122.820 0.181 0.000 1.927 27 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 27 A C 2.235 179.984 177.584 0.276 0.000 1.185 27 A CA 1.990 54.204 52.037 0.296 0.000 0.639 27 A CB -0.810 18.341 19.000 0.252 0.000 0.820 27 A HN 0.549 nan 8.150 nan 0.000 0.451 28 E N -0.005 120.301 120.200 0.176 0.000 2.085 28 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 28 E C 2.006 178.674 176.600 0.113 0.000 0.994 28 E CA 1.873 58.352 56.400 0.132 0.000 0.801 28 E CB -0.548 29.207 29.700 0.091 0.000 0.743 28 E HN 0.637 nan 8.360 nan 0.000 0.453 29 V N -1.064 118.910 119.914 0.100 0.000 2.515 29 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 29 V C 2.190 178.321 176.094 0.061 0.000 1.058 29 V CA 1.607 63.944 62.300 0.062 0.000 1.064 29 V CB -0.604 31.244 31.823 0.042 0.000 0.675 29 V HN 0.245 nan 8.190 nan 0.000 0.461 30 L N -0.536 120.768 121.223 0.136 0.000 2.217 30 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 30 L C 3.036 180.046 176.870 0.232 0.000 1.107 30 L CA 1.376 56.324 54.840 0.180 0.000 0.783 30 L CB -0.492 41.785 42.059 0.363 0.000 0.919 30 L HN 0.274 nan 8.230 nan 0.000 0.442 31 R N 0.037 120.622 120.500 0.141 0.000 2.055 31 R HA 0.014 4.354 4.340 -0.000 0.000 0.228 31 R C 0.760 177.271 176.300 0.351 0.000 1.143 31 R CA 0.507 56.691 56.100 0.140 0.000 0.945 31 R CB -0.139 30.169 30.300 0.013 0.000 0.841 31 R HN 0.251 nan 8.270 nan 0.000 0.429 32 R N 1.878 122.511 120.500 0.221 0.000 2.537 32 R HA 0.107 4.447 4.340 -0.000 0.000 0.280 32 R C -2.346 174.041 176.300 0.145 0.000 1.058 32 R CA -1.518 54.695 56.100 0.188 0.000 1.057 32 R CB 0.135 30.488 30.300 0.089 0.000 0.973 32 R HN 0.035 nan 8.270 nan 0.000 0.438 33 P HA 0.044 nan 4.420 nan 0.000 0.279 33 P C -0.041 177.236 177.300 -0.038 0.000 1.239 33 P CA -0.330 62.828 63.100 0.097 0.000 0.789 33 P CB 0.973 32.730 31.700 0.096 0.000 0.933 34 K N 2.953 123.292 120.400 -0.103 0.000 2.002 34 K HA -0.066 4.254 4.320 -0.000 0.000 0.209 34 K C 0.255 176.827 176.600 -0.048 0.000 1.048 34 K CA 1.325 57.563 56.287 -0.082 0.000 0.930 34 K CB 0.180 32.619 32.500 -0.102 0.000 0.714 34 K HN 0.393 nan 8.250 nan 0.000 0.438 35 R N -0.322 120.153 120.500 -0.041 0.000 2.725 35 R HA 0.447 4.787 4.340 -0.000 0.000 0.277 35 R C -1.637 174.653 176.300 -0.017 0.000 0.987 35 R CA -0.839 55.244 56.100 -0.028 0.000 0.901 35 R CB 2.744 33.025 30.300 -0.031 0.000 1.207 35 R HN -0.125 nan 8.270 nan 0.000 0.463 36 V N 3.488 123.398 119.914 -0.005 0.000 2.488 36 V HA 0.286 4.406 4.120 -0.000 0.000 0.293 36 V C -1.270 174.850 176.094 0.044 0.000 1.027 36 V CA -0.723 61.586 62.300 0.016 0.000 0.862 36 V CB 1.808 33.627 31.823 -0.005 0.000 1.008 36 V HN 0.488 nan 8.190 nan 0.000 0.428 37 L N 7.058 128.322 121.223 0.069 0.000 2.287 37 L HA 0.695 5.035 4.340 -0.000 0.000 0.287 37 L C -0.664 176.290 176.870 0.141 0.000 1.022 37 L CA 0.152 55.034 54.840 0.070 0.000 0.814 37 L CB 1.205 43.276 42.059 0.020 0.000 1.217 37 L HN 0.551 nan 8.230 nan 0.000 0.420 38 I N 6.416 127.061 120.570 0.125 0.000 2.389 38 I HA 0.460 4.630 4.170 -0.000 0.000 0.288 38 I C -0.642 175.513 176.117 0.063 0.000 0.999 38 I CA -0.936 60.434 61.300 0.117 0.000 1.129 38 I CB 1.762 39.858 38.000 0.161 0.000 1.288 38 I HN 0.448 nan 8.210 nan 0.000 0.444 39 V N 2.548 122.504 119.914 0.070 0.000 2.604 39 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 39 V C -0.487 175.726 176.094 0.198 0.000 1.043 39 V CA -0.568 61.824 62.300 0.154 0.000 0.888 39 V CB 2.064 34.019 31.823 0.219 0.000 0.995 39 V HN 0.575 nan 8.190 nan 0.000 0.429 40 E N 5.015 125.307 120.200 0.155 0.000 2.101 40 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 40 E C -1.151 175.544 176.600 0.157 0.000 0.897 40 E CA 0.005 56.442 56.400 0.062 0.000 0.744 40 E CB 1.728 31.428 29.700 -0.000 0.000 1.140 40 E HN 0.803 nan 8.360 nan 0.000 0.419 41 F N 0.797 120.796 119.950 0.083 0.000 2.508 41 F HA 0.729 5.256 4.527 -0.000 0.000 0.325 41 F C -2.716 173.159 175.800 0.125 0.000 1.090 41 F CA -3.207 54.852 58.000 0.099 0.000 0.945 41 F CB 1.196 40.272 39.000 0.127 0.000 1.156 41 F HN -0.001 nan 8.300 nan 0.000 0.463 42 P HA 0.415 nan 4.420 nan 0.000 0.277 42 P C -1.172 176.264 177.300 0.226 0.000 1.240 42 P CA -0.506 62.671 63.100 0.129 0.000 0.798 42 P CB 1.785 33.538 31.700 0.088 0.000 0.979 43 V N 2.562 122.584 119.914 0.179 0.000 2.668 43 V HA 0.373 4.493 4.120 -0.000 0.000 0.304 43 V C 0.012 176.138 176.094 0.054 0.000 1.071 43 V CA -0.777 61.624 62.300 0.169 0.000 0.894 43 V CB 2.026 33.984 31.823 0.225 0.000 1.008 43 V HN 0.436 nan 8.190 nan 0.000 0.425 44 R N 5.079 125.586 120.500 0.012 0.000 2.248 44 R HA 0.440 4.780 4.340 -0.000 0.000 0.328 44 R C -0.121 176.138 176.300 -0.068 0.000 1.067 44 R CA -0.486 55.588 56.100 -0.043 0.000 0.924 44 R CB 0.458 30.744 30.300 -0.023 0.000 1.013 44 R HN 0.589 nan 8.270 nan 0.000 0.454 45 M N 2.922 122.431 119.600 -0.151 0.000 2.228 45 M HA 0.025 4.505 4.480 -0.000 0.000 0.326 45 M C 0.989 177.260 176.300 -0.049 0.000 1.122 45 M CA 0.080 55.308 55.300 -0.120 0.000 1.161 45 M CB 0.684 33.135 32.600 -0.248 0.000 1.437 45 M HN 0.630 nan 8.290 nan 0.000 0.465 46 D N 1.298 121.690 120.400 -0.014 0.000 2.172 46 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 46 D C 0.799 177.113 176.300 0.023 0.000 0.999 46 D CA 1.535 55.536 54.000 0.003 0.000 0.856 46 D CB -0.072 40.733 40.800 0.009 0.000 0.934 46 D HN 0.641 nan 8.370 nan 0.000 0.453 47 D N -0.742 119.692 120.400 0.058 0.000 2.504 47 D HA 0.076 4.715 4.640 -0.000 0.000 0.243 47 D C 1.322 177.676 176.300 0.090 0.000 1.203 47 D CA 0.598 54.648 54.000 0.082 0.000 0.847 47 D CB -0.195 40.677 40.800 0.121 0.000 0.973 47 D HN 0.214 nan 8.370 nan 0.000 0.490 48 G N 1.737 110.566 108.800 0.047 0.000 2.205 48 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.269 48 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.269 48 G C 0.386 175.323 174.900 0.062 0.000 0.977 48 G CA 0.875 45.998 45.100 0.039 0.000 0.652 48 G HN 0.843 nan 8.290 nan 0.000 0.539 49 H N 0.071 119.143 119.070 0.003 0.000 2.502 49 H HA 0.619 5.175 4.556 -0.000 0.000 0.327 49 H C -0.090 175.240 175.328 0.004 0.000 1.099 49 H CA -0.360 55.687 56.048 -0.002 0.000 1.323 49 H CB 1.510 31.265 29.762 -0.012 0.000 1.450 49 H HN 0.074 nan 8.280 nan 0.000 0.502 50 V N 3.783 123.643 119.914 -0.090 0.000 2.649 50 V HA 0.143 4.263 4.120 -0.000 0.000 0.292 50 V C 0.429 176.429 176.094 -0.156 0.000 1.055 50 V CA -0.194 62.029 62.300 -0.129 0.000 1.023 50 V CB 1.069 32.877 31.823 -0.025 0.000 0.992 50 V HN 0.879 nan 8.190 nan 0.000 0.480 51 E N 2.473 122.566 120.200 -0.178 0.000 2.263 51 E HA 0.539 4.889 4.350 -0.000 0.000 0.268 51 E C -1.609 174.831 176.600 -0.266 0.000 0.884 51 E CA -0.558 55.708 56.400 -0.224 0.000 0.766 51 E CB 2.181 31.705 29.700 -0.293 0.000 1.196 51 E HN 0.475 nan 8.360 nan 0.000 0.416 52 V N 4.678 124.385 119.914 -0.345 0.000 2.509 52 V HA 0.424 4.544 4.120 -0.000 0.000 0.284 52 V C -0.424 175.291 176.094 -0.632 0.000 1.047 52 V CA -0.202 61.895 62.300 -0.339 0.000 0.952 52 V CB 0.369 32.064 31.823 -0.214 0.000 0.988 52 V HN 0.523 nan 8.190 nan 0.000 0.469 53 F N 0.984 120.553 119.950 -0.635 0.000 2.538 53 F HA 0.578 5.105 4.527 -0.000 0.000 0.325 53 F C 0.606 175.981 175.800 -0.708 0.000 1.066 53 F CA -0.618 56.963 58.000 -0.698 0.000 0.946 53 F CB 2.087 40.563 39.000 -0.873 0.000 1.199 53 F HN 0.312 nan 8.300 nan 0.000 0.473 54 T N 1.267 115.682 114.554 -0.231 0.000 2.767 54 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 54 T C 0.026 174.603 174.700 -0.205 0.000 0.973 54 T CA -0.690 61.276 62.100 -0.224 0.000 0.996 54 T CB 1.152 69.886 68.868 -0.222 0.000 0.927 54 T HN 0.843 nan 8.240 nan 0.000 0.456 55 G N 1.910 110.643 108.800 -0.111 0.000 2.563 55 G HA2 0.715 4.675 3.960 -0.000 0.000 0.302 55 G HA3 0.715 4.675 3.960 -0.000 0.000 0.302 55 G C -1.986 172.822 174.900 -0.153 0.000 1.301 55 G CA -0.668 44.444 45.100 0.019 0.000 0.965 55 G HN 0.594 nan 8.290 nan 0.000 0.480 56 Y N -0.493 120.015 120.300 0.346 0.000 2.581 56 Y HA 0.832 5.382 4.550 0.000 0.000 0.345 56 Y C 0.092 176.158 175.900 0.276 0.000 1.036 56 Y CA -1.221 57.029 58.100 0.249 0.000 1.042 56 Y CB 2.912 41.457 38.460 0.143 0.000 1.289 56 Y HN 0.611 nan 8.280 nan 0.000 0.471 57 R N 0.740 121.431 120.500 0.319 0.000 2.508 57 R HA 0.739 5.079 4.340 -0.000 0.000 0.283 57 R C -2.636 173.722 176.300 0.097 0.000 1.120 57 R CA -0.498 55.707 56.100 0.176 0.000 0.958 57 R CB 1.493 31.828 30.300 0.057 0.000 1.215 57 R HN 0.547 nan 8.270 nan 0.000 0.427 58 V N 5.012 124.964 119.914 0.064 0.000 2.531 58 V HA 0.473 4.593 4.120 -0.000 0.000 0.301 58 V C -0.610 175.486 176.094 0.005 0.000 1.034 58 V CA -0.701 61.614 62.300 0.024 0.000 0.865 58 V CB 2.002 33.828 31.823 0.005 0.000 0.995 58 V HN 0.692 nan 8.190 nan 0.000 0.424 59 Q N 3.282 123.075 119.800 -0.011 0.000 2.425 59 Q HA 0.335 4.675 4.340 -0.000 0.000 0.254 59 Q C 0.728 176.719 176.000 -0.015 0.000 1.032 59 Q CA -0.453 55.332 55.803 -0.030 0.000 0.798 59 Q CB 1.311 30.015 28.738 -0.056 0.000 1.210 59 Q HN 0.849 nan 8.270 nan 0.000 0.491 60 H N 2.988 122.003 119.070 -0.091 0.000 2.276 60 H HA -0.004 4.552 4.556 -0.000 0.000 0.301 60 H C -0.215 175.046 175.328 -0.111 0.000 1.073 60 H CA 1.283 57.278 56.048 -0.089 0.000 1.311 60 H CB 0.766 30.464 29.762 -0.107 0.000 1.379 60 H HN 0.504 nan 8.280 nan 0.000 0.494 61 N N -0.949 117.557 118.700 -0.324 0.000 2.324 61 N HA 0.155 4.895 4.740 -0.000 0.000 0.285 61 N C -0.530 174.870 175.510 -0.183 0.000 1.076 61 N CA -0.384 52.458 53.050 -0.347 0.000 0.864 61 N CB 2.252 40.456 38.487 -0.471 0.000 1.632 61 N HN -0.037 nan 8.380 nan 0.000 0.478 62 V N 2.083 121.916 119.914 -0.135 0.000 3.477 62 V HA 0.316 4.436 4.120 -0.000 0.000 0.297 62 V C 1.796 177.856 176.094 -0.057 0.000 1.433 62 V CA 0.585 62.837 62.300 -0.079 0.000 1.052 62 V CB -0.135 31.653 31.823 -0.058 0.000 0.895 62 V HN 0.783 nan 8.190 nan 0.000 0.438 63 A N 1.483 124.261 122.820 -0.071 0.000 1.903 63 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 63 A C 2.305 179.872 177.584 -0.028 0.000 1.191 63 A CA 2.129 54.138 52.037 -0.046 0.000 0.638 63 A CB -0.380 18.595 19.000 -0.042 0.000 0.823 63 A HN 0.496 nan 8.150 nan 0.000 0.451 64 R N -1.045 119.440 120.500 -0.026 0.000 2.240 64 R HA 0.258 4.598 4.340 -0.000 0.000 0.203 64 R C 0.895 177.188 176.300 -0.011 0.000 1.011 64 R CA 0.683 56.776 56.100 -0.012 0.000 1.007 64 R CB 0.005 30.300 30.300 -0.010 0.000 0.911 64 R HN 0.627 nan 8.270 nan 0.000 0.468 65 G N 0.830 109.629 108.800 -0.002 0.000 2.343 65 G HA2 0.014 3.974 3.960 -0.000 0.000 0.289 65 G HA3 0.014 3.974 3.960 -0.000 0.000 0.289 65 G C -3.081 171.844 174.900 0.041 0.000 1.295 65 G CA -1.143 43.973 45.100 0.027 0.000 0.869 65 G HN -0.241 nan 8.290 nan 0.000 0.522 66 P HA 0.391 nan 4.420 nan 0.000 0.265 66 P C 0.373 177.646 177.300 -0.044 0.000 1.193 66 P CA 0.723 63.836 63.100 0.022 0.000 0.765 66 P CB 0.783 32.492 31.700 0.016 0.000 0.823 67 A N 3.439 126.199 122.820 -0.100 0.000 2.546 67 A HA 0.163 4.483 4.320 -0.000 0.000 0.243 67 A C 0.459 177.877 177.584 -0.275 0.000 1.063 67 A CA 0.546 52.494 52.037 -0.148 0.000 0.757 67 A CB -0.443 18.485 19.000 -0.120 0.000 0.991 67 A HN 0.457 nan 8.150 nan 0.000 0.503 68 K N 1.102 121.303 120.400 -0.330 0.000 2.324 68 K HA 0.714 5.034 4.320 -0.000 0.000 0.253 68 K C -0.314 176.118 176.600 -0.279 0.000 0.932 68 K CA 0.405 56.393 56.287 -0.499 0.000 0.799 68 K CB 1.831 33.783 32.500 -0.914 0.000 1.154 68 K HN 1.425 nan 8.250 nan 0.000 0.425 69 G N 1.046 109.710 108.800 -0.227 0.000 2.443 69 G HA2 0.428 4.388 3.960 -0.000 0.000 0.303 69 G HA3 0.428 4.388 3.960 -0.000 0.000 0.303 69 G C -0.635 174.225 174.900 -0.067 0.000 1.613 69 G CA -0.390 44.641 45.100 -0.115 0.000 0.879 69 G HN 0.719 nan 8.290 nan 0.000 0.632 70 G N -0.793 107.987 108.800 -0.033 0.000 2.616 70 G HA2 0.589 4.549 3.960 -0.000 0.000 0.268 70 G HA3 0.589 4.549 3.960 -0.000 0.000 0.268 70 G C -0.158 174.768 174.900 0.043 0.000 1.213 70 G CA -0.605 44.492 45.100 -0.005 0.000 0.926 70 G HN 0.739 nan 8.290 nan 0.000 0.523 71 I N -0.206 120.397 120.570 0.054 0.000 2.509 71 I HA 0.407 4.577 4.170 -0.000 0.000 0.293 71 I C 0.007 176.135 176.117 0.020 0.000 1.020 71 I CA -0.655 60.706 61.300 0.103 0.000 1.088 71 I CB 2.299 40.424 38.000 0.209 0.000 1.267 71 I HN 0.345 nan 8.210 nan 0.000 0.430 72 R N 4.967 125.518 120.500 0.086 0.000 2.589 72 R HA 0.518 4.858 4.340 -0.000 0.000 0.293 72 R C -1.448 175.028 176.300 0.294 0.000 0.963 72 R CA -0.653 55.511 56.100 0.106 0.000 0.905 72 R CB 1.959 32.335 30.300 0.126 0.000 1.144 72 R HN 0.546 nan 8.270 nan 0.000 0.459 73 Y N 2.798 123.148 120.300 0.083 0.000 2.464 73 Y HA 0.298 4.848 4.550 -0.000 0.000 0.326 73 Y C -0.167 175.841 175.900 0.179 0.000 0.969 73 Y CA -0.682 57.468 58.100 0.083 0.000 1.270 73 Y CB 1.135 39.625 38.460 0.051 0.000 1.103 73 Y HN 0.466 nan 8.280 nan 0.000 0.491 74 H N 5.142 124.317 119.070 0.175 0.000 3.086 74 H HA 0.118 4.674 4.556 -0.000 0.000 0.353 74 H C -2.384 173.002 175.328 0.097 0.000 1.134 74 H CA -1.905 54.215 56.048 0.119 0.000 1.248 74 H CB 3.322 33.150 29.762 0.110 0.000 1.878 74 H HN 0.268 nan 8.280 nan 0.000 0.527 75 P HA -0.089 nan 4.420 nan 0.000 0.218 75 P C -0.225 176.982 177.300 -0.155 0.000 1.149 75 P CA 0.963 63.951 63.100 -0.187 0.000 0.817 75 P CB 0.578 32.148 31.700 -0.216 0.000 0.785 76 D N 0.569 120.798 120.400 -0.285 0.000 2.505 76 D HA 0.300 4.940 4.640 -0.000 0.000 0.242 76 D C -0.641 175.772 176.300 0.189 0.000 1.136 76 D CA -0.190 53.799 54.000 -0.018 0.000 0.954 76 D CB 1.328 42.132 40.800 0.007 0.000 1.002 76 D HN -0.085 nan 8.370 nan 0.000 0.512 77 V N 1.979 121.988 119.914 0.159 0.000 2.488 77 V HA 0.236 4.356 4.120 -0.000 0.000 0.293 77 V C 0.121 176.278 176.094 0.106 0.000 1.027 77 V CA -0.508 61.897 62.300 0.175 0.000 0.862 77 V CB 2.105 34.070 31.823 0.237 0.000 1.008 77 V HN 0.275 nan 8.190 nan 0.000 0.428 78 T N 4.746 119.306 114.554 0.010 0.000 2.907 78 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 78 T C 1.016 175.532 174.700 -0.307 0.000 1.004 78 T CA -0.415 61.628 62.100 -0.095 0.000 1.063 78 T CB 1.950 70.791 68.868 -0.044 0.000 0.992 78 T HN 0.480 nan 8.240 nan 0.000 0.483 79 L N 2.022 122.915 121.223 -0.551 0.000 2.081 79 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 79 L C 1.961 178.623 176.870 -0.347 0.000 1.080 79 L CA 2.084 56.506 54.840 -0.697 0.000 0.754 79 L CB -0.768 40.978 42.059 -0.523 0.000 0.893 79 L HN 0.850 nan 8.230 nan 0.000 0.433 80 D N -0.985 119.281 120.400 -0.222 0.000 2.123 80 D HA -0.283 4.357 4.640 -0.000 0.000 0.196 80 D C 2.142 178.394 176.300 -0.079 0.000 0.992 80 D CA 1.476 55.392 54.000 -0.140 0.000 0.833 80 D CB -0.085 40.679 40.800 -0.060 0.000 0.954 80 D HN 0.615 nan 8.370 nan 0.000 0.455 81 E N -0.559 119.606 120.200 -0.058 0.000 2.077 81 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 81 E C 2.091 178.693 176.600 0.003 0.000 0.989 81 E CA 0.997 57.402 56.400 0.008 0.000 0.800 81 E CB 0.132 29.850 29.700 0.030 0.000 0.746 81 E HN 0.180 nan 8.360 nan 0.000 0.452 82 V N 1.629 121.506 119.914 -0.062 0.000 2.261 82 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 82 V C 2.349 178.414 176.094 -0.047 0.000 1.047 82 V CA 2.155 64.431 62.300 -0.040 0.000 1.015 82 V CB -0.542 31.229 31.823 -0.086 0.000 0.642 82 V HN 0.250 nan 8.190 nan 0.000 0.446 83 K N 0.284 120.603 120.400 -0.135 0.000 2.044 83 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 83 K C 2.325 178.893 176.600 -0.055 0.000 1.049 83 K CA 1.740 57.907 56.287 -0.200 0.000 0.927 83 K CB -0.548 31.628 32.500 -0.541 0.000 0.713 83 K HN 0.492 nan 8.250 nan 0.000 0.443 84 A N 1.599 124.433 122.820 0.023 0.000 1.858 84 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 84 A C 2.205 179.773 177.584 -0.027 0.000 1.190 84 A CA 1.386 53.430 52.037 0.012 0.000 0.617 84 A CB -0.759 18.277 19.000 0.061 0.000 0.827 84 A HN 0.179 nan 8.150 nan 0.000 0.443 85 L N -0.779 120.521 121.223 0.129 0.000 2.079 85 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 85 L C 3.079 180.043 176.870 0.156 0.000 1.081 85 L CA 1.093 56.078 54.840 0.242 0.000 0.752 85 L CB -0.577 41.587 42.059 0.175 0.000 0.896 85 L HN 0.458 nan 8.230 nan 0.000 0.433 86 A N -0.220 122.634 122.820 0.057 0.000 1.898 86 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 86 A C 2.176 179.712 177.584 -0.081 0.000 1.181 86 A CA 1.367 53.411 52.037 0.010 0.000 0.620 86 A CB -0.830 18.180 19.000 0.016 0.000 0.819 86 A HN 0.370 nan 8.150 nan 0.000 0.442 87 F N -0.648 119.082 119.950 -0.367 0.000 2.091 87 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 87 F C 2.059 177.590 175.800 -0.449 0.000 1.103 87 F CA 1.833 59.401 58.000 -0.719 0.000 1.228 87 F CB -0.485 38.111 39.000 -0.674 0.000 0.984 87 F HN 0.443 nan 8.300 nan 0.000 0.477 88 W N -0.553 120.793 121.300 0.077 0.000 2.358 88 W HA -0.271 4.389 4.660 -0.000 0.000 0.303 88 W C 2.416 178.900 176.519 -0.059 0.000 1.208 88 W CA 0.393 57.812 57.345 0.124 0.000 1.274 88 W CB -0.456 29.120 29.460 0.193 0.000 1.138 88 W HN -0.045 nan 8.180 nan 0.000 0.515 89 M N 0.187 119.860 119.600 0.121 0.000 2.106 89 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 89 M C 1.874 178.101 176.300 -0.122 0.000 1.068 89 M CA 1.929 57.232 55.300 0.005 0.000 1.100 89 M CB -1.941 30.641 32.600 -0.030 0.000 1.351 89 M HN -0.043 nan 8.290 nan 0.000 0.404 90 T N -0.507 113.835 114.554 -0.354 0.000 2.635 90 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 90 T C 1.515 175.943 174.700 -0.452 0.000 1.040 90 T CA 1.949 63.719 62.100 -0.551 0.000 1.156 90 T CB -0.509 67.762 68.868 -0.996 0.000 0.863 90 T HN 0.566 nan 8.240 nan 0.000 0.430 91 W N 1.320 122.629 121.300 0.015 0.000 2.436 91 W HA 0.138 4.798 4.660 0.000 0.000 0.284 91 W C 2.564 179.128 176.519 0.075 0.000 1.225 91 W CA 0.071 57.465 57.345 0.082 0.000 1.271 91 W CB -0.113 29.475 29.460 0.213 0.000 1.114 91 W HN 0.161 nan 8.180 nan 0.000 0.559 92 K N 0.748 121.276 120.400 0.213 0.000 2.057 92 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 92 K C 2.139 178.779 176.600 0.067 0.000 1.050 92 K CA 2.150 58.510 56.287 0.121 0.000 0.935 92 K CB -0.362 32.196 32.500 0.095 0.000 0.715 92 K HN 0.138 nan 8.250 nan 0.000 0.439 93 T N -1.136 113.444 114.554 0.043 0.000 2.777 93 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 93 T C 2.067 176.778 174.700 0.019 0.000 1.040 93 T CA 0.942 63.061 62.100 0.032 0.000 1.141 93 T CB -0.461 68.440 68.868 0.055 0.000 0.868 93 T HN 0.223 nan 8.240 nan 0.000 0.444 94 A N 1.151 123.999 122.820 0.047 0.000 1.883 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 94 A C 2.653 180.282 177.584 0.076 0.000 1.186 94 A CA 1.689 53.771 52.037 0.076 0.000 0.624 94 A CB -1.334 17.762 19.000 0.161 0.000 0.822 94 A HN 0.402 nan 8.150 nan 0.000 0.444 95 V N -0.386 119.583 119.914 0.092 0.000 2.407 95 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 95 V C 2.250 178.361 176.094 0.027 0.000 1.055 95 V CA 2.227 64.560 62.300 0.054 0.000 1.049 95 V CB -0.440 31.404 31.823 0.034 0.000 0.662 95 V HN 0.534 nan 8.190 nan 0.000 0.455 96 M N -0.487 119.124 119.600 0.018 0.000 2.562 96 M HA 0.074 4.554 4.480 -0.000 0.000 0.257 96 M C 1.158 177.447 176.300 -0.019 0.000 1.099 96 M CA 0.698 55.999 55.300 0.003 0.000 1.099 96 M CB -1.842 30.751 32.600 -0.012 0.000 1.427 96 M HN 0.682 nan 8.290 nan 0.000 0.489 97 N N 1.362 120.046 118.700 -0.026 0.000 2.780 97 N HA -0.152 4.588 4.740 -0.000 0.000 0.247 97 N C -1.301 174.121 175.510 -0.147 0.000 1.076 97 N CA -0.121 52.902 53.050 -0.044 0.000 0.688 97 N CB -0.777 37.707 38.487 -0.005 0.000 0.957 97 N HN 0.276 nan 8.380 nan 0.000 0.551 98 L N 0.893 121.979 121.223 -0.229 0.000 2.322 98 L HA 0.514 4.854 4.340 -0.000 0.000 0.279 98 L C -1.554 175.026 176.870 -0.482 0.000 1.036 98 L CA -1.737 52.785 54.840 -0.530 0.000 0.807 98 L CB 1.264 43.015 42.059 -0.513 0.000 1.226 98 L HN 0.003 nan 8.230 nan 0.000 0.433 99 P HA 0.136 nan 4.420 nan 0.000 0.228 99 P C -0.845 176.169 177.300 -0.477 0.000 1.748 99 P CA 0.476 63.326 63.100 -0.418 0.000 0.909 99 P CB -0.423 31.118 31.700 -0.266 0.000 1.882 100 F N -0.579 119.251 119.950 -0.200 0.000 2.631 100 F HA 0.653 5.180 4.527 -0.000 0.000 0.328 100 F C 1.296 176.993 175.800 -0.171 0.000 1.067 100 F CA -1.090 56.779 58.000 -0.219 0.000 0.969 100 F CB 2.100 40.950 39.000 -0.250 0.000 1.332 100 F HN -0.022 nan 8.300 nan 0.000 0.490 101 G N -0.371 108.467 108.800 0.062 0.000 2.990 101 G HA2 0.581 4.541 3.960 -0.000 0.000 0.208 101 G HA3 0.581 4.541 3.960 -0.000 0.000 0.208 101 G C -1.068 173.773 174.900 -0.099 0.000 1.334 101 G CA -0.824 44.243 45.100 -0.054 0.000 1.024 101 G HN 0.851 nan 8.290 nan 0.000 0.574 102 G N -1.438 107.289 108.800 -0.122 0.000 2.544 102 G HA2 0.667 4.627 3.960 -0.000 0.000 0.313 102 G HA3 0.667 4.627 3.960 -0.000 0.000 0.313 102 G C -0.438 174.419 174.900 -0.071 0.000 1.316 102 G CA 0.176 45.209 45.100 -0.112 0.000 0.944 102 G HN 1.081 nan 8.290 nan 0.000 0.489 103 G N 0.692 109.446 108.800 -0.077 0.000 2.692 103 G HA2 0.735 4.695 3.960 -0.000 0.000 0.291 103 G HA3 0.735 4.695 3.960 -0.000 0.000 0.291 103 G C -1.625 173.259 174.900 -0.026 0.000 1.423 103 G CA -0.659 44.410 45.100 -0.052 0.000 0.843 103 G HN 0.549 nan 8.290 nan 0.000 0.486 104 K N -1.193 119.212 120.400 0.008 0.000 2.625 104 K HA 0.721 5.041 4.320 -0.000 0.000 0.284 104 K C -0.614 176.043 176.600 0.095 0.000 0.984 104 K CA -0.293 56.021 56.287 0.045 0.000 0.865 104 K CB 2.014 34.546 32.500 0.053 0.000 1.468 104 K HN 1.286 nan 8.250 nan 0.000 0.407 105 G N -0.755 108.134 108.800 0.148 0.000 2.660 105 G HA2 0.777 4.737 3.960 -0.000 0.000 0.290 105 G HA3 0.777 4.737 3.960 -0.000 0.000 0.290 105 G C -1.115 173.947 174.900 0.270 0.000 1.432 105 G CA -0.176 45.081 45.100 0.261 0.000 0.807 105 G HN 0.702 nan 8.290 nan 0.000 0.485 106 G N -1.837 107.159 108.800 0.328 0.000 2.519 106 G HA2 0.619 4.579 3.960 -0.000 0.000 0.292 106 G HA3 0.619 4.579 3.960 -0.000 0.000 0.292 106 G C -1.908 173.075 174.900 0.138 0.000 1.507 106 G CA -0.265 44.978 45.100 0.238 0.000 0.806 106 G HN 1.274 nan 8.290 nan 0.000 0.523 107 V N 0.632 120.589 119.914 0.071 0.000 2.487 107 V HA 0.541 4.661 4.120 -0.000 0.000 0.298 107 V C 0.513 176.643 176.094 0.060 0.000 1.028 107 V CA -0.940 61.327 62.300 -0.055 0.000 0.860 107 V CB 1.736 33.387 31.823 -0.287 0.000 0.991 107 V HN 0.812 nan 8.190 nan 0.000 0.427 108 R N 3.212 123.763 120.500 0.085 0.000 2.459 108 R HA 0.534 4.874 4.340 -0.000 0.000 0.301 108 R C -1.055 175.300 176.300 0.092 0.000 1.286 108 R CA 0.196 56.359 56.100 0.105 0.000 1.046 108 R CB 0.371 30.736 30.300 0.108 0.000 1.071 108 R HN 0.572 nan 8.270 nan 0.000 0.512 109 V N 3.274 123.221 119.914 0.054 0.000 3.077 109 V HA 0.158 4.278 4.120 -0.000 0.000 0.299 109 V C -1.829 174.274 176.094 0.015 0.000 1.276 109 V CA -0.974 61.361 62.300 0.057 0.000 0.993 109 V CB 2.408 34.176 31.823 -0.093 0.000 1.076 109 V HN 0.693 nan 8.190 nan 0.000 0.434 110 D N 7.223 127.642 120.400 0.031 0.000 2.456 110 D HA 0.464 5.104 4.640 -0.000 0.000 0.219 110 D C -1.190 175.131 176.300 0.034 0.000 1.126 110 D CA -2.084 51.932 54.000 0.027 0.000 0.890 110 D CB 1.965 42.773 40.800 0.013 0.000 1.025 110 D HN 0.396 nan 8.370 nan 0.000 0.511 111 P HA -0.205 nan 4.420 nan 0.000 0.217 111 P C 0.857 178.190 177.300 0.055 0.000 1.148 111 P CA 1.004 64.135 63.100 0.051 0.000 0.828 111 P CB 0.386 32.163 31.700 0.129 0.000 0.783 112 K N -0.316 120.120 120.400 0.059 0.000 2.360 112 K HA -0.070 4.250 4.320 -0.000 0.000 0.201 112 K C 1.657 178.282 176.600 0.041 0.000 1.046 112 K CA 0.806 57.123 56.287 0.050 0.000 0.945 112 K CB -0.034 32.495 32.500 0.048 0.000 0.750 112 K HN 0.120 nan 8.250 nan 0.000 0.464 113 K N 0.394 120.818 120.400 0.041 0.000 2.374 113 K HA 0.188 4.508 4.320 -0.000 0.000 0.196 113 K C 0.455 177.083 176.600 0.047 0.000 1.023 113 K CA 0.224 56.536 56.287 0.042 0.000 1.103 113 K CB 0.405 32.931 32.500 0.044 0.000 0.848 113 K HN 0.107 nan 8.250 nan 0.000 0.528 114 L N 1.518 122.764 121.223 0.039 0.000 2.334 114 L HA 0.270 4.610 4.340 -0.000 0.000 0.276 114 L C 0.417 177.303 176.870 0.027 0.000 1.014 114 L CA -0.792 54.064 54.840 0.027 0.000 0.815 114 L CB 1.817 43.871 42.059 -0.009 0.000 1.268 114 L HN -0.062 nan 8.230 nan 0.000 0.428 115 S N 0.933 116.644 115.700 0.018 0.000 2.610 115 S HA 0.297 4.767 4.470 -0.000 0.000 0.273 115 S C 0.825 175.433 174.600 0.014 0.000 1.274 115 S CA -0.748 57.464 58.200 0.019 0.000 1.023 115 S CB 1.945 65.152 63.200 0.012 0.000 0.962 115 S HN 0.665 nan 8.310 nan 0.000 0.523 116 R N 2.084 122.606 120.500 0.037 0.000 2.159 116 R HA -0.236 4.104 4.340 -0.000 0.000 0.249 116 R C 1.593 177.864 176.300 -0.049 0.000 1.136 116 R CA 2.695 58.831 56.100 0.059 0.000 0.951 116 R CB -1.347 29.002 30.300 0.082 0.000 0.876 116 R HN 0.851 nan 8.270 nan 0.000 0.440 117 N N 0.093 118.751 118.700 -0.070 0.000 2.043 117 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 117 N C 1.556 176.971 175.510 -0.157 0.000 1.037 117 N CA 1.935 54.905 53.050 -0.133 0.000 0.851 117 N CB -0.203 38.234 38.487 -0.083 0.000 1.027 117 N HN 0.451 nan 8.380 nan 0.000 0.422 118 E N -0.045 120.097 120.200 -0.097 0.000 2.118 118 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 118 E C 1.790 178.306 176.600 -0.140 0.000 0.992 118 E CA 0.610 56.953 56.400 -0.095 0.000 0.804 118 E CB -0.157 29.514 29.700 -0.048 0.000 0.741 118 E HN 0.193 nan 8.360 nan 0.000 0.458 119 L N 1.536 122.689 121.223 -0.116 0.000 2.017 119 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 119 L C 2.327 179.095 176.870 -0.170 0.000 1.073 119 L CA 1.873 56.667 54.840 -0.077 0.000 0.745 119 L CB -0.308 41.810 42.059 0.098 0.000 0.894 119 L HN 0.075 nan 8.230 nan 0.000 0.432 120 E N -0.651 119.244 120.200 -0.509 0.000 2.038 120 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 120 E C 2.372 178.698 176.600 -0.456 0.000 1.000 120 E CA 1.488 57.271 56.400 -1.028 0.000 0.803 120 E CB -0.094 28.811 29.700 -1.325 0.000 0.750 120 E HN 0.432 nan 8.360 nan 0.000 0.448 121 R N 0.264 120.589 120.500 -0.292 0.000 2.091 121 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 121 R C 2.683 178.955 176.300 -0.046 0.000 1.136 121 R CA 1.454 57.469 56.100 -0.141 0.000 0.959 121 R CB -0.449 29.791 30.300 -0.100 0.000 0.856 121 R HN 0.302 nan 8.270 nan 0.000 0.437 122 L N 0.375 121.557 121.223 -0.068 0.000 2.017 122 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 122 L C 2.088 179.037 176.870 0.131 0.000 1.073 122 L CA 1.664 56.500 54.840 -0.006 0.000 0.745 122 L CB -0.239 41.641 42.059 -0.300 0.000 0.894 122 L HN 0.089 nan 8.230 nan 0.000 0.432 123 S N -0.178 115.630 115.700 0.180 0.000 2.359 123 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 123 S C 1.934 176.816 174.600 0.469 0.000 1.035 123 S CA 1.590 60.072 58.200 0.471 0.000 1.018 123 S CB -0.345 63.116 63.200 0.435 0.000 0.876 123 S HN 0.451 nan 8.310 nan 0.000 0.448 124 R N 0.605 121.238 120.500 0.223 0.000 2.066 124 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 124 R C 2.570 178.954 176.300 0.139 0.000 1.131 124 R CA 1.298 57.514 56.100 0.193 0.000 0.955 124 R CB -0.278 30.056 30.300 0.057 0.000 0.851 124 R HN 0.121 nan 8.270 nan 0.000 0.432 125 R N 0.753 121.291 120.500 0.062 0.000 2.120 125 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 125 R C 1.842 177.989 176.300 -0.255 0.000 1.123 125 R CA 1.317 57.394 56.100 -0.037 0.000 0.975 125 R CB -0.761 29.572 30.300 0.056 0.000 0.866 125 R HN 0.174 nan 8.270 nan 0.000 0.446 126 F N -0.286 119.370 119.950 -0.488 0.000 2.075 126 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 126 F C 1.743 177.417 175.800 -0.211 0.000 1.113 126 F CA 1.336 58.944 58.000 -0.652 0.000 1.218 126 F CB -0.788 38.031 39.000 -0.301 0.000 0.984 126 F HN 0.048 nan 8.300 nan 0.000 0.472 127 F N 0.741 120.480 119.950 -0.352 0.000 2.269 127 F HA -0.129 4.398 4.527 -0.000 0.000 0.301 127 F C 2.606 178.232 175.800 -0.290 0.000 1.082 127 F CA 1.473 59.201 58.000 -0.453 0.000 1.360 127 F CB -0.896 37.974 39.000 -0.216 0.000 1.041 127 F HN -0.052 nan 8.300 nan 0.000 0.512 128 S N -0.607 115.036 115.700 -0.095 0.000 2.428 128 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 128 S C 1.910 176.395 174.600 -0.191 0.000 1.014 128 S CA 0.845 58.982 58.200 -0.105 0.000 0.957 128 S CB -0.127 63.050 63.200 -0.039 0.000 0.784 128 S HN 0.374 nan 8.310 nan 0.000 0.499 129 E N 1.516 121.549 120.200 -0.278 0.000 2.051 129 E HA -0.005 4.345 4.350 -0.000 0.000 0.189 129 E C 2.022 178.437 176.600 -0.308 0.000 0.979 129 E CA 0.842 57.090 56.400 -0.253 0.000 0.803 129 E CB -0.274 29.279 29.700 -0.246 0.000 0.761 129 E HN 0.707 nan 8.360 nan 0.000 0.451 130 I N -0.878 119.383 120.570 -0.515 0.000 3.564 130 I HA 0.016 4.186 4.170 -0.000 0.000 0.294 130 I C 2.288 178.119 176.117 -0.477 0.000 1.289 130 I CA 0.393 61.395 61.300 -0.496 0.000 1.325 130 I CB -0.141 37.455 38.000 -0.673 0.000 1.039 130 I HN -0.053 nan 8.210 nan 0.000 0.474 131 Q N 1.773 121.301 119.800 -0.453 0.000 2.112 131 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 131 Q C 2.199 178.083 176.000 -0.193 0.000 0.987 131 Q CA 2.654 58.253 55.803 -0.340 0.000 0.858 131 Q CB -0.058 28.576 28.738 -0.172 0.000 0.905 131 Q HN 0.551 nan 8.270 nan 0.000 0.420 132 V N 0.668 120.487 119.914 -0.158 0.000 2.370 132 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 132 V C 2.050 178.085 176.094 -0.097 0.000 1.068 132 V CA 1.942 64.182 62.300 -0.099 0.000 1.061 132 V CB -0.414 31.357 31.823 -0.087 0.000 0.656 132 V HN 0.447 nan 8.190 nan 0.000 0.455 133 I N -1.011 119.472 120.570 -0.145 0.000 3.708 133 I HA 0.155 4.325 4.170 -0.000 0.000 0.302 133 I C 1.158 177.181 176.117 -0.157 0.000 1.255 133 I CA 0.105 61.328 61.300 -0.128 0.000 1.362 133 I CB 0.301 38.229 38.000 -0.121 0.000 1.100 133 I HN 0.284 nan 8.210 nan 0.000 0.434 134 I N -0.555 119.866 120.570 -0.249 0.000 3.432 134 I HA 0.737 4.907 4.170 -0.000 0.000 0.291 134 I C 0.336 176.307 176.117 -0.244 0.000 1.127 134 I CA -0.375 60.742 61.300 -0.305 0.000 0.962 134 I CB 0.489 38.169 38.000 -0.534 0.000 1.550 134 I HN 0.049 nan 8.210 nan 0.000 0.736 135 G N 0.998 109.624 108.800 -0.289 0.000 2.343 135 G HA2 0.182 4.142 3.960 -0.000 0.000 0.298 135 G HA3 0.182 4.142 3.960 -0.000 0.000 0.298 135 G C -2.595 172.234 174.900 -0.118 0.000 1.644 135 G CA -0.365 44.627 45.100 -0.181 0.000 0.958 135 G HN 0.463 nan 8.290 nan 0.000 0.702 136 P HA -0.116 nan 4.420 nan 0.000 0.223 136 P C 0.405 177.636 177.300 -0.115 0.000 1.144 136 P CA 1.393 64.451 63.100 -0.070 0.000 0.783 136 P CB 0.044 31.628 31.700 -0.193 0.000 0.771 137 Y N -1.986 118.457 120.300 0.238 0.000 2.641 137 Y HA 0.253 4.803 4.550 -0.000 0.000 0.248 137 Y C 1.763 177.722 175.900 0.099 0.000 1.170 137 Y CA -0.522 57.714 58.100 0.227 0.000 1.201 137 Y CB 0.270 38.854 38.460 0.206 0.000 1.232 137 Y HN -0.089 nan 8.280 nan 0.000 0.537 138 N N -0.528 118.242 118.700 0.116 0.000 2.909 138 N HA 0.049 4.789 4.740 -0.000 0.000 0.243 138 N C -0.762 174.715 175.510 -0.055 0.000 1.018 138 N CA 0.651 53.719 53.050 0.031 0.000 1.068 138 N CB 0.631 39.121 38.487 0.004 0.000 1.651 138 N HN 0.011 nan 8.380 nan 0.000 0.509 139 D N 0.171 120.501 120.400 -0.117 0.000 2.890 139 D HA 0.389 5.029 4.640 -0.000 0.000 0.233 139 D C -1.377 174.795 176.300 -0.213 0.000 1.306 139 D CA -0.297 53.599 54.000 -0.173 0.000 0.929 139 D CB 1.325 42.025 40.800 -0.167 0.000 1.512 139 D HN 0.010 nan 8.370 nan 0.000 0.568 140 I N 4.845 125.256 120.570 -0.264 0.000 2.388 140 I HA 0.328 4.498 4.170 -0.000 0.000 0.281 140 I C -2.168 173.829 176.117 -0.201 0.000 1.046 140 I CA -1.868 59.286 61.300 -0.244 0.000 1.187 140 I CB 1.579 39.350 38.000 -0.380 0.000 1.351 140 I HN 0.054 nan 8.210 nan 0.000 0.472 141 P HA 0.349 nan 4.420 nan 0.000 0.272 141 P C -0.538 176.741 177.300 -0.035 0.000 1.254 141 P CA -0.190 62.898 63.100 -0.020 0.000 0.795 141 P CB 0.795 32.560 31.700 0.108 0.000 1.022 142 A N -0.245 122.565 122.820 -0.016 0.000 2.586 142 A HA 0.674 4.994 4.320 -0.000 0.000 0.290 142 A C -2.897 174.673 177.584 -0.023 0.000 1.086 142 A CA -1.280 50.737 52.037 -0.033 0.000 0.665 142 A CB 0.663 19.618 19.000 -0.074 0.000 1.279 142 A HN 0.312 nan 8.150 nan 0.000 0.423 143 P HA 0.479 nan 4.420 nan 0.000 0.274 143 P C -0.972 176.288 177.300 -0.067 0.000 1.246 143 P CA 0.584 63.633 63.100 -0.086 0.000 0.795 143 P CB 1.494 33.127 31.700 -0.112 0.000 1.006 144 D N -0.659 119.694 120.400 -0.078 0.000 4.243 144 D HA 0.103 4.743 4.640 -0.000 0.000 0.333 144 D C -0.933 175.333 176.300 -0.057 0.000 1.611 144 D CA -0.289 53.681 54.000 -0.050 0.000 0.979 144 D CB 0.326 41.112 40.800 -0.023 0.000 1.457 144 D HN -0.013 nan 8.370 nan 0.000 0.646 145 V N 2.898 122.789 119.914 -0.038 0.000 2.493 145 V HA 0.168 4.288 4.120 -0.000 0.000 0.292 145 V C 0.215 176.306 176.094 -0.006 0.000 1.016 145 V CA 0.367 62.647 62.300 -0.034 0.000 1.097 145 V CB -0.082 31.701 31.823 -0.065 0.000 0.947 145 V HN 0.610 nan 8.190 nan 0.000 0.479 146 N N 1.921 120.623 118.700 0.002 0.000 2.782 146 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 146 N C 0.276 175.767 175.510 -0.032 0.000 1.101 146 N CA 1.521 54.597 53.050 0.042 0.000 0.764 146 N CB -1.329 37.255 38.487 0.160 0.000 1.122 146 N HN 1.027 nan 8.380 nan 0.000 0.561 147 T N -2.001 112.465 114.554 -0.147 0.000 2.881 147 T HA 0.696 5.046 4.350 -0.000 0.000 0.290 147 T C -0.113 174.456 174.700 -0.218 0.000 1.000 147 T CA -0.922 61.010 62.100 -0.281 0.000 0.978 147 T CB 2.782 71.383 68.868 -0.445 0.000 0.997 147 T HN 0.246 nan 8.240 nan 0.000 0.443 148 N N 1.514 120.058 118.700 -0.259 0.000 3.038 148 N HA 0.627 5.367 4.740 -0.000 0.000 0.307 148 N C 1.477 176.808 175.510 -0.299 0.000 1.441 148 N CA -0.606 52.306 53.050 -0.230 0.000 0.772 148 N CB 0.489 38.862 38.487 -0.190 0.000 1.651 148 N HN 0.653 nan 8.380 nan 0.000 0.593 149 A N -0.085 122.586 122.820 -0.248 0.000 1.927 149 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 149 A C 1.249 178.600 177.584 -0.389 0.000 1.185 149 A CA 2.403 54.284 52.037 -0.260 0.000 0.639 149 A CB -1.280 17.604 19.000 -0.194 0.000 0.820 149 A HN 0.781 nan 8.150 nan 0.000 0.451 150 D N -0.682 119.432 120.400 -0.476 0.000 2.097 150 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 150 D C 1.941 177.474 176.300 -1.278 0.000 0.989 150 D CA 1.409 54.954 54.000 -0.758 0.000 0.827 150 D CB -0.282 40.112 40.800 -0.677 0.000 0.966 150 D HN 0.242 nan 8.370 nan 0.000 0.456 151 V N 1.020 120.301 119.914 -1.055 0.000 2.307 151 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 151 V C 2.308 177.854 176.094 -0.914 0.000 1.045 151 V CA 0.953 62.654 62.300 -0.999 0.000 1.024 151 V CB -0.337 31.109 31.823 -0.629 0.000 0.651 151 V HN 0.229 nan 8.190 nan 0.000 0.449 152 I N 0.794 120.957 120.570 -0.678 0.000 2.264 152 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 152 I C 2.676 178.594 176.117 -0.333 0.000 1.111 152 I CA 1.964 62.992 61.300 -0.454 0.000 1.382 152 I CB -1.567 36.286 38.000 -0.246 0.000 1.060 152 I HN 0.324 nan 8.210 nan 0.000 0.418 153 A N 0.195 122.789 122.820 -0.377 0.000 1.902 153 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 153 A C 2.076 179.613 177.584 -0.079 0.000 1.181 153 A CA 1.168 53.069 52.037 -0.227 0.000 0.623 153 A CB -0.829 18.006 19.000 -0.276 0.000 0.818 153 A HN 0.454 nan 8.150 nan 0.000 0.443 154 W N -0.776 120.414 121.300 -0.183 0.000 2.358 154 W HA -0.139 4.521 4.660 0.000 0.000 0.303 154 W C 2.226 178.712 176.519 -0.055 0.000 1.208 154 W CA 0.660 57.929 57.345 -0.126 0.000 1.274 154 W CB -1.550 27.807 29.460 -0.171 0.000 1.138 154 W HN 0.568 nan 8.180 nan 0.000 0.515 155 Y N -0.364 119.911 120.300 -0.042 0.000 2.070 155 Y HA -0.365 4.185 4.550 -0.000 0.000 0.280 155 Y C 2.880 178.740 175.900 -0.068 0.000 1.148 155 Y CA 1.165 59.016 58.100 -0.416 0.000 1.125 155 Y CB -0.893 36.843 38.460 -1.206 0.000 0.975 155 Y HN -0.233 nan 8.280 nan 0.000 0.492 156 M N 0.913 120.591 119.600 0.131 0.000 2.089 156 M HA -0.304 4.176 4.480 -0.000 0.000 0.257 156 M C 1.515 177.947 176.300 0.221 0.000 1.071 156 M CA 2.350 57.763 55.300 0.189 0.000 1.096 156 M CB -0.861 31.799 32.600 0.100 0.000 1.330 156 M HN 0.279 nan 8.290 nan 0.000 0.403 157 D N -0.729 119.778 120.400 0.179 0.000 2.117 157 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 157 D C 1.605 178.009 176.300 0.174 0.000 0.987 157 D CA 2.193 56.289 54.000 0.159 0.000 0.829 157 D CB 0.006 40.900 40.800 0.157 0.000 0.961 157 D HN 0.405 nan 8.370 nan 0.000 0.460 158 T N -0.956 113.739 114.554 0.235 0.000 2.720 158 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 158 T C 1.609 176.453 174.700 0.241 0.000 1.037 158 T CA 1.349 63.591 62.100 0.236 0.000 1.144 158 T CB -0.674 68.389 68.868 0.325 0.000 0.864 158 T HN 0.312 nan 8.240 nan 0.000 0.444 159 Y N 1.713 122.140 120.300 0.213 0.000 2.133 159 Y HA -0.191 4.359 4.550 0.000 0.000 0.287 159 Y C 2.813 178.722 175.900 0.016 0.000 1.134 159 Y CA 1.549 59.721 58.100 0.119 0.000 1.133 159 Y CB -0.262 38.309 38.460 0.185 0.000 0.987 159 Y HN 0.114 nan 8.280 nan 0.000 0.502 160 S N 0.293 116.028 115.700 0.058 0.000 2.365 160 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 160 S C 1.901 176.419 174.600 -0.137 0.000 1.039 160 S CA 1.716 59.864 58.200 -0.087 0.000 1.033 160 S CB -0.368 62.853 63.200 0.036 0.000 0.887 160 S HN 0.435 nan 8.310 nan 0.000 0.447 161 M N 1.418 120.990 119.600 -0.047 0.000 2.213 161 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 161 M C 1.610 177.858 176.300 -0.087 0.000 1.062 161 M CA 1.180 56.455 55.300 -0.042 0.000 1.105 161 M CB -1.579 31.024 32.600 0.004 0.000 1.385 161 M HN 0.231 nan 8.290 nan 0.000 0.417 162 N N 0.165 118.790 118.700 -0.125 0.000 2.135 162 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 162 N C 1.805 177.174 175.510 -0.235 0.000 1.027 162 N CA 1.057 54.016 53.050 -0.152 0.000 0.849 162 N CB -0.393 38.012 38.487 -0.136 0.000 1.002 162 N HN 0.100 nan 8.380 nan 0.000 0.425 163 V N -0.835 118.825 119.914 -0.423 0.000 2.358 163 V HA 0.040 4.160 4.120 -0.000 0.000 0.246 163 V C 1.455 177.385 176.094 -0.273 0.000 1.047 163 V CA 1.624 63.650 62.300 -0.457 0.000 1.035 163 V CB -0.886 30.451 31.823 -0.809 0.000 0.658 163 V HN 0.552 nan 8.190 nan 0.000 0.452 164 G N 0.322 108.974 108.800 -0.246 0.000 2.155 164 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.135 164 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.135 164 G C 0.078 175.016 174.900 0.063 0.000 1.023 164 G CA -0.057 45.008 45.100 -0.059 0.000 0.688 164 G HN 1.120 nan 8.290 nan 0.000 0.499 165 H N -2.858 116.190 119.070 -0.037 0.000 3.020 165 H HA 0.460 5.016 4.556 -0.000 0.000 0.303 165 H C -0.751 174.586 175.328 0.015 0.000 1.332 165 H CA -0.162 55.883 56.048 -0.005 0.000 1.282 165 H CB 0.616 30.380 29.762 0.003 0.000 1.928 165 H HN 0.390 nan 8.280 nan 0.000 0.519 166 T N 1.511 116.162 114.554 0.163 0.000 2.829 166 T HA 0.229 4.579 4.350 -0.000 0.000 0.293 166 T C 0.843 175.650 174.700 0.179 0.000 0.970 166 T CA 0.344 62.520 62.100 0.126 0.000 1.168 166 T CB -0.109 68.829 68.868 0.117 0.000 0.911 166 T HN 0.423 nan 8.240 nan 0.000 0.535 167 V N 6.104 126.105 119.914 0.145 0.000 2.721 167 V HA 0.083 4.203 4.120 -0.000 0.000 0.236 167 V C 1.833 178.020 176.094 0.156 0.000 1.116 167 V CA 0.815 63.229 62.300 0.190 0.000 1.148 167 V CB -0.727 31.264 31.823 0.281 0.000 0.886 167 V HN 1.053 nan 8.190 nan 0.000 0.490 168 L N 0.468 121.786 121.223 0.159 0.000 4.668 168 L HA -0.221 4.119 4.340 -0.000 0.000 0.439 168 L C 0.867 177.806 176.870 0.115 0.000 1.120 168 L CA 1.768 56.687 54.840 0.131 0.000 0.961 168 L CB -2.586 39.549 42.059 0.127 0.000 1.918 168 L HN 0.309 nan 8.230 nan 0.000 0.926 169 G N -1.390 107.476 108.800 0.109 0.000 3.377 169 G HA2 0.322 4.282 3.960 -0.000 0.000 0.257 169 G HA3 0.322 4.282 3.960 -0.000 0.000 0.257 169 G C 0.960 175.969 174.900 0.181 0.000 1.038 169 G CA 0.389 45.558 45.100 0.116 0.000 0.809 169 G HN 0.384 nan 8.290 nan 0.000 0.526 170 I N 1.399 122.030 120.570 0.102 0.000 2.761 170 I HA 0.182 4.352 4.170 -0.000 0.000 0.261 170 I C 0.526 176.673 176.117 0.050 0.000 1.198 170 I CA 0.533 61.822 61.300 -0.018 0.000 1.482 170 I CB 0.406 38.298 38.000 -0.180 0.000 1.100 170 I HN 0.015 nan 8.210 nan 0.000 0.445 171 V N -2.440 117.530 119.914 0.093 0.000 3.087 171 V HA 0.710 4.830 4.120 -0.000 0.000 0.306 171 V C -0.229 175.900 176.094 0.058 0.000 1.187 171 V CA -0.064 62.274 62.300 0.063 0.000 0.999 171 V CB 0.904 32.758 31.823 0.051 0.000 1.049 171 V HN 0.218 nan 8.190 nan 0.000 0.431 172 T N -1.628 112.938 114.554 0.020 0.000 2.938 172 T HA 0.774 5.124 4.350 -0.000 0.000 0.285 172 T C 0.961 175.649 174.700 -0.019 0.000 1.028 172 T CA -0.105 62.009 62.100 0.022 0.000 1.005 172 T CB 1.134 70.013 68.868 0.019 0.000 1.157 172 T HN 2.762 nan 8.240 nan 0.000 0.550 173 G N 0.773 109.558 108.800 -0.025 0.000 2.182 173 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 173 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 173 G C -0.143 174.706 174.900 -0.086 0.000 1.042 173 G CA 0.243 45.309 45.100 -0.058 0.000 0.775 173 G HN 0.884 nan 8.290 nan 0.000 0.501 174 K N 0.095 120.452 120.400 -0.071 0.000 2.090 174 K HA 0.476 4.796 4.320 -0.000 0.000 0.250 174 K C -2.319 174.215 176.600 -0.110 0.000 1.004 174 K CA -2.000 54.229 56.287 -0.097 0.000 0.919 174 K CB 0.727 33.191 32.500 -0.061 0.000 1.045 174 K HN -0.010 nan 8.250 nan 0.000 0.471 175 P HA -0.089 nan 4.420 nan 0.000 0.267 175 P C 0.755 177.971 177.300 -0.139 0.000 1.200 175 P CA -0.041 62.982 63.100 -0.129 0.000 0.772 175 P CB 0.533 32.154 31.700 -0.131 0.000 0.855 176 V N 1.907 121.736 119.914 -0.141 0.000 2.252 176 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 176 V C 1.566 177.513 176.094 -0.245 0.000 1.056 176 V CA 2.037 64.227 62.300 -0.183 0.000 1.022 176 V CB -1.000 30.734 31.823 -0.149 0.000 0.641 176 V HN 0.608 nan 8.190 nan 0.000 0.445 177 E N -0.263 119.824 120.200 -0.188 0.000 2.545 177 E HA 0.135 4.485 4.350 -0.000 0.000 0.271 177 E C 0.094 176.595 176.600 -0.164 0.000 1.508 177 E CA 0.198 56.487 56.400 -0.186 0.000 1.774 177 E CB -0.224 29.401 29.700 -0.125 0.000 1.460 177 E HN 0.363 nan 8.360 nan 0.000 0.449 178 L N -0.960 120.145 121.223 -0.196 0.000 3.982 178 L HA 0.294 4.634 4.340 -0.000 0.000 0.402 178 L C 0.740 177.544 176.870 -0.108 0.000 1.254 178 L CA 0.862 55.627 54.840 -0.124 0.000 1.286 178 L CB 0.498 42.504 42.059 -0.089 0.000 1.420 178 L HN 0.259 nan 8.230 nan 0.000 0.591 179 G N -1.358 107.306 108.800 -0.227 0.000 2.211 179 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.201 179 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.201 179 G C 0.715 175.596 174.900 -0.032 0.000 0.997 179 G CA 0.051 45.112 45.100 -0.064 0.000 0.652 179 G HN 0.815 nan 8.290 nan 0.000 0.500 180 G N -0.069 108.645 108.800 -0.144 0.000 2.653 180 G HA2 0.528 4.488 3.960 -0.000 0.000 0.265 180 G HA3 0.528 4.488 3.960 -0.000 0.000 0.265 180 G C 0.065 174.913 174.900 -0.086 0.000 1.237 180 G CA 0.809 45.857 45.100 -0.087 0.000 0.946 180 G HN 0.877 nan 8.290 nan 0.000 0.522 181 S N -0.763 114.912 115.700 -0.043 0.000 2.536 181 S HA 0.420 4.890 4.470 -0.000 0.000 0.298 181 S C -0.154 174.428 174.600 -0.030 0.000 1.083 181 S CA -0.738 57.448 58.200 -0.024 0.000 0.995 181 S CB 1.808 65.010 63.200 0.004 0.000 1.058 181 S HN 0.527 nan 8.310 nan 0.000 0.488 182 K N 0.582 120.971 120.400 -0.018 0.000 2.202 182 K HA 0.465 4.785 4.320 -0.000 0.000 0.264 182 K C 1.127 177.727 176.600 -0.001 0.000 1.010 182 K CA 0.379 56.654 56.287 -0.020 0.000 0.940 182 K CB 0.378 32.872 32.500 -0.011 0.000 0.983 182 K HN 0.952 nan 8.250 nan 0.000 0.475 183 G N 1.287 110.065 108.800 -0.037 0.000 2.176 183 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.253 183 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.253 183 G C 0.962 175.814 174.900 -0.080 0.000 0.979 183 G CA 0.642 45.708 45.100 -0.056 0.000 0.641 183 G HN 0.729 nan 8.290 nan 0.000 0.530 184 R N 0.652 121.113 120.500 -0.065 0.000 2.096 184 R HA -0.111 4.229 4.340 -0.000 0.000 0.240 184 R C 2.296 178.527 176.300 -0.115 0.000 1.139 184 R CA 2.216 58.278 56.100 -0.065 0.000 0.952 184 R CB -0.380 29.889 30.300 -0.053 0.000 0.854 184 R HN 0.659 nan 8.270 nan 0.000 0.436 185 E N 0.219 120.322 120.200 -0.162 0.000 2.023 185 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 185 E C 1.873 178.162 176.600 -0.517 0.000 1.003 185 E CA 1.867 58.138 56.400 -0.216 0.000 0.809 185 E CB -0.151 29.461 29.700 -0.147 0.000 0.755 185 E HN 0.642 nan 8.360 nan 0.000 0.449 186 E N 1.177 120.859 120.200 -0.863 0.000 2.409 186 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 186 E C 1.905 178.277 176.600 -0.380 0.000 1.024 186 E CA 0.677 56.455 56.400 -1.037 0.000 0.861 186 E CB -0.135 29.059 29.700 -0.844 0.000 0.788 186 E HN 0.195 nan 8.360 nan 0.000 0.521 187 A N 2.017 124.703 122.820 -0.223 0.000 1.873 187 A HA -0.347 3.973 4.320 -0.000 0.000 0.219 187 A C 2.499 180.053 177.584 -0.049 0.000 1.269 187 A CA 2.998 54.984 52.037 -0.085 0.000 0.671 187 A CB -1.698 17.273 19.000 -0.047 0.000 0.842 187 A HN 0.421 nan 8.150 nan 0.000 0.460 188 T N -0.363 114.169 114.554 -0.036 0.000 2.665 188 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 188 T C 1.957 176.668 174.700 0.019 0.000 1.035 188 T CA 1.930 64.030 62.100 0.001 0.000 1.151 188 T CB -1.028 67.850 68.868 0.017 0.000 0.862 188 T HN 0.725 nan 8.240 nan 0.000 0.438 189 G N 1.079 109.901 108.800 0.037 0.000 2.440 189 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 189 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 189 G C 1.573 176.499 174.900 0.043 0.000 1.154 189 G CA 0.893 46.042 45.100 0.083 0.000 0.767 189 G HN 0.464 nan 8.290 nan 0.000 0.552 190 R N 0.323 120.825 120.500 0.003 0.000 2.096 190 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 190 R C 2.725 179.034 176.300 0.014 0.000 1.127 190 R CA 1.524 57.628 56.100 0.006 0.000 0.968 190 R CB -0.662 29.634 30.300 -0.008 0.000 0.861 190 R HN 0.321 nan 8.270 nan 0.000 0.440 191 G N 0.089 108.899 108.800 0.017 0.000 2.459 191 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 191 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 191 G C 1.378 176.287 174.900 0.015 0.000 1.183 191 G CA 1.002 46.115 45.100 0.022 0.000 0.776 191 G HN 0.229 nan 8.290 nan 0.000 0.552 192 V N 1.387 121.313 119.914 0.020 0.000 2.392 192 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 192 V C 2.747 178.845 176.094 0.007 0.000 1.059 192 V CA 2.147 64.458 62.300 0.020 0.000 1.051 192 V CB -0.399 31.443 31.823 0.031 0.000 0.658 192 V HN 0.397 nan 8.190 nan 0.000 0.455 193 K N 0.552 120.958 120.400 0.010 0.000 2.002 193 K HA -0.156 4.163 4.320 -0.000 0.000 0.209 193 K C 2.107 178.687 176.600 -0.033 0.000 1.048 193 K CA 1.928 58.215 56.287 0.000 0.000 0.930 193 K CB -0.404 32.104 32.500 0.014 0.000 0.714 193 K HN 0.376 nan 8.250 nan 0.000 0.438 194 V N 1.491 121.382 119.914 -0.039 0.000 2.255 194 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 194 V C 2.798 178.786 176.094 -0.177 0.000 1.051 194 V CA 1.967 64.217 62.300 -0.083 0.000 1.018 194 V CB -0.788 31.004 31.823 -0.052 0.000 0.641 194 V HN 0.427 nan 8.190 nan 0.000 0.445 195 C N 0.389 119.600 119.300 -0.148 0.000 2.413 195 C HA -0.131 4.329 4.460 -0.000 0.000 0.276 195 C C 3.142 178.008 174.990 -0.207 0.000 1.248 195 C CA 0.806 59.691 59.018 -0.222 0.000 1.742 195 C CB -1.481 26.253 27.740 -0.010 0.000 2.017 195 C HN 0.649 nan 8.230 nan 0.000 0.481 196 A N 0.864 123.627 122.820 -0.095 0.000 1.883 196 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 196 A C 2.406 179.937 177.584 -0.088 0.000 1.186 196 A CA 2.285 54.288 52.037 -0.056 0.000 0.624 196 A CB -1.341 17.648 19.000 -0.018 0.000 0.822 196 A HN 0.559 nan 8.150 nan 0.000 0.444 197 G N -0.119 108.614 108.800 -0.112 0.000 2.459 197 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 197 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 197 G C 1.550 176.354 174.900 -0.160 0.000 1.183 197 G CA 1.088 46.123 45.100 -0.108 0.000 0.776 197 G HN 0.444 nan 8.290 nan 0.000 0.552 198 L N 0.809 121.842 121.223 -0.317 0.000 2.079 198 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 198 L C 3.410 180.124 176.870 -0.259 0.000 1.081 198 L CA 0.944 55.516 54.840 -0.447 0.000 0.752 198 L CB -0.472 40.906 42.059 -1.134 0.000 0.896 198 L HN 0.317 nan 8.230 nan 0.000 0.433 199 A N 0.050 122.751 122.820 -0.197 0.000 1.877 199 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 199 A C 2.338 179.939 177.584 0.028 0.000 1.186 199 A CA 1.837 53.896 52.037 0.036 0.000 0.620 199 A CB -0.487 18.542 19.000 0.048 0.000 0.822 199 A HN 0.325 nan 8.150 nan 0.000 0.443 200 M N -0.728 118.865 119.600 -0.012 0.000 2.080 200 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 200 M C 1.763 178.067 176.300 0.007 0.000 1.068 200 M CA 2.195 57.495 55.300 0.000 0.000 1.109 200 M CB -0.765 31.828 32.600 -0.011 0.000 1.342 200 M HN 0.431 nan 8.290 nan 0.000 0.405 201 D N 0.117 120.514 120.400 -0.006 0.000 2.106 201 D HA -0.182 4.458 4.640 -0.000 0.000 0.191 201 D C 1.911 178.235 176.300 0.039 0.000 0.997 201 D CA 2.072 56.078 54.000 0.009 0.000 0.834 201 D CB -0.234 40.563 40.800 -0.004 0.000 0.956 201 D HN 0.341 nan 8.370 nan 0.000 0.448 202 V N -0.892 119.066 119.914 0.072 0.000 2.720 202 V HA -0.106 4.014 4.120 -0.000 0.000 0.256 202 V C 1.760 177.890 176.094 0.060 0.000 1.082 202 V CA 1.267 63.620 62.300 0.087 0.000 1.101 202 V CB -0.782 31.126 31.823 0.143 0.000 0.693 202 V HN 0.212 nan 8.190 nan 0.000 0.479 203 L N 1.131 122.385 121.223 0.051 0.000 2.592 203 L HA 0.461 4.801 4.340 -0.000 0.000 0.227 203 L C 1.862 178.748 176.870 0.027 0.000 1.127 203 L CA 0.611 55.474 54.840 0.038 0.000 0.884 203 L CB -0.537 41.544 42.059 0.037 0.000 1.065 203 L HN 0.591 nan 8.230 nan 0.000 0.457 204 G N 1.396 110.212 108.800 0.025 0.000 2.198 204 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 204 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 204 G C 0.138 175.047 174.900 0.014 0.000 1.025 204 G CA 0.010 45.121 45.100 0.019 0.000 0.769 204 G HN 0.335 nan 8.290 nan 0.000 0.507 205 I N 0.479 121.057 120.570 0.014 0.000 2.353 205 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 205 I C 0.132 176.253 176.117 0.007 0.000 0.992 205 I CA -0.729 60.578 61.300 0.011 0.000 1.268 205 I CB 1.337 39.344 38.000 0.013 0.000 1.387 205 I HN 0.084 nan 8.210 nan 0.000 0.478 206 D N 9.341 129.744 120.400 0.006 0.000 2.336 206 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 206 D C -1.279 175.023 176.300 0.003 0.000 1.213 206 D CA -2.045 51.957 54.000 0.003 0.000 0.870 206 D CB 1.165 41.967 40.800 0.003 0.000 1.076 206 D HN 0.241 nan 8.370 nan 0.000 0.483 207 P HA -0.247 nan 4.420 nan 0.000 0.217 207 P C 1.170 178.471 177.300 0.003 0.000 1.148 207 P CA 1.077 64.178 63.100 0.001 0.000 0.828 207 P CB 0.291 31.989 31.700 -0.003 0.000 0.783 208 K N 0.698 121.099 120.400 0.002 0.000 2.097 208 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 208 K C 2.294 178.894 176.600 0.000 0.000 1.049 208 K CA 1.370 57.658 56.287 0.001 0.000 0.933 208 K CB -0.118 32.382 32.500 0.000 0.000 0.717 208 K HN 0.009 nan 8.250 nan 0.000 0.442 209 K N 0.078 120.479 120.400 0.001 0.000 2.334 209 K HA 0.129 4.449 4.320 -0.000 0.000 0.195 209 K C -0.002 176.600 176.600 0.003 0.000 1.045 209 K CA 0.248 56.535 56.287 0.000 0.000 1.004 209 K CB 0.223 32.723 32.500 0.001 0.000 0.837 209 K HN 0.141 nan 8.250 nan 0.000 0.510 210 A N 1.799 124.623 122.820 0.006 0.000 2.561 210 A HA 0.074 4.394 4.320 -0.000 0.000 0.234 210 A C 0.083 177.675 177.584 0.014 0.000 1.055 210 A CA 0.499 52.543 52.037 0.011 0.000 0.756 210 A CB -0.047 18.960 19.000 0.011 0.000 0.986 210 A HN 0.460 nan 8.150 nan 0.000 0.505 211 T N -0.235 114.332 114.554 0.022 0.000 2.823 211 T HA 0.635 4.985 4.350 -0.000 0.000 0.279 211 T C -0.471 174.255 174.700 0.043 0.000 0.998 211 T CA -0.735 61.383 62.100 0.029 0.000 0.994 211 T CB 1.282 70.173 68.868 0.037 0.000 0.960 211 T HN 0.605 nan 8.240 nan 0.000 0.448 212 V N 1.576 121.522 119.914 0.053 0.000 2.735 212 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 212 V C -0.151 175.997 176.094 0.091 0.000 1.061 212 V CA -1.061 61.278 62.300 0.064 0.000 0.913 212 V CB 1.768 33.627 31.823 0.059 0.000 1.005 212 V HN 1.311 nan 8.190 nan 0.000 0.428 213 A N 3.898 126.773 122.820 0.092 0.000 2.335 213 A HA 0.836 5.156 4.320 -0.000 0.000 0.304 213 A C -1.057 176.583 177.584 0.094 0.000 1.118 213 A CA -0.500 51.604 52.037 0.111 0.000 0.757 213 A CB 1.540 20.606 19.000 0.111 0.000 1.188 213 A HN 0.672 nan 8.150 nan 0.000 0.460 214 V N 3.034 123.012 119.914 0.107 0.000 2.370 214 V HA 0.358 4.478 4.120 -0.000 0.000 0.283 214 V C 0.224 176.377 176.094 0.097 0.000 1.023 214 V CA -0.469 61.893 62.300 0.103 0.000 0.857 214 V CB 1.498 33.402 31.823 0.135 0.000 0.985 214 V HN 0.921 nan 8.190 nan 0.000 0.443 215 Q N 3.560 123.407 119.800 0.079 0.000 2.421 215 Q HA 0.563 4.903 4.340 -0.000 0.000 0.242 215 Q C 0.068 176.116 176.000 0.080 0.000 1.024 215 Q CA 0.344 56.188 55.803 0.068 0.000 0.891 215 Q CB 0.968 29.736 28.738 0.050 0.000 1.222 215 Q HN 1.138 nan 8.270 nan 0.000 0.483 216 G N 2.668 111.530 108.800 0.103 0.000 2.528 216 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.681 216 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.681 216 G C -1.440 173.605 174.900 0.242 0.000 1.340 216 G CA -0.861 44.313 45.100 0.124 0.000 0.855 216 G HN 0.467 nan 8.290 nan 0.000 0.649 217 F N 2.289 122.217 119.950 -0.036 0.000 2.619 217 F HA 0.542 5.069 4.527 -0.000 0.000 0.382 217 F C 1.078 176.838 175.800 -0.068 0.000 1.466 217 F CA 0.176 58.138 58.000 -0.062 0.000 1.137 217 F CB 0.434 39.387 39.000 -0.079 0.000 1.205 217 F HN 0.864 nan 8.300 nan 0.000 0.525 218 G N 0.448 109.207 108.800 -0.068 0.000 2.666 218 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.207 218 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.207 218 G C 0.874 175.648 174.900 -0.210 0.000 1.481 218 G CA 0.150 45.188 45.100 -0.103 0.000 1.071 218 G HN 0.280 nan 8.290 nan 0.000 0.572 219 N N -1.406 117.226 118.700 -0.112 0.000 2.058 219 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 219 N C 2.294 177.808 175.510 0.006 0.000 1.037 219 N CA 1.955 54.970 53.050 -0.057 0.000 0.848 219 N CB -0.293 38.240 38.487 0.077 0.000 1.021 219 N HN 0.154 nan 8.380 nan 0.000 0.422 220 V N 0.258 120.186 119.914 0.024 0.000 2.220 220 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 220 V C 2.445 178.533 176.094 -0.010 0.000 1.049 220 V CA 2.159 64.486 62.300 0.045 0.000 1.003 220 V CB -1.597 30.243 31.823 0.028 0.000 0.634 220 V HN 0.542 nan 8.190 nan 0.000 0.444 221 G N -1.155 107.608 108.800 -0.062 0.000 2.529 221 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 221 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 221 G C 1.493 176.252 174.900 -0.236 0.000 1.177 221 G CA 1.250 46.309 45.100 -0.068 0.000 0.773 221 G HN 0.572 nan 8.290 nan 0.000 0.573 222 Q N -0.433 118.995 119.800 -0.621 0.000 1.985 222 Q HA -0.120 4.220 4.340 -0.000 0.000 0.207 222 Q C 2.453 178.185 176.000 -0.446 0.000 0.996 222 Q CA 1.766 57.015 55.803 -0.924 0.000 0.851 222 Q CB -0.397 27.653 28.738 -1.146 0.000 0.921 222 Q HN 0.590 nan 8.270 nan 0.000 0.418 223 F N 0.353 120.182 119.950 -0.202 0.000 2.161 223 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 223 F C 2.451 178.214 175.800 -0.062 0.000 1.089 223 F CA 0.575 58.512 58.000 -0.105 0.000 1.282 223 F CB -0.310 38.642 39.000 -0.080 0.000 1.010 223 F HN 0.159 nan 8.300 nan 0.000 0.485 224 A N 0.268 123.156 122.820 0.113 0.000 1.858 224 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 224 A C 2.398 180.023 177.584 0.067 0.000 1.190 224 A CA 1.852 53.936 52.037 0.078 0.000 0.617 224 A CB -1.356 17.678 19.000 0.057 0.000 0.827 224 A HN 0.318 nan 8.150 nan 0.000 0.443 225 A N -0.510 122.345 122.820 0.058 0.000 1.908 225 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 225 A C 2.258 179.892 177.584 0.083 0.000 1.181 225 A CA 1.607 53.699 52.037 0.093 0.000 0.627 225 A CB -0.663 18.439 19.000 0.168 0.000 0.818 225 A HN 0.600 nan 8.150 nan 0.000 0.445 226 L N -0.472 120.788 121.223 0.062 0.000 1.976 226 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 226 L C 2.527 179.443 176.870 0.077 0.000 1.071 226 L CA 1.591 56.472 54.840 0.069 0.000 0.746 226 L CB -0.299 41.797 42.059 0.062 0.000 0.890 226 L HN 0.433 nan 8.230 nan 0.000 0.432 227 L N -0.329 120.947 121.223 0.089 0.000 2.046 227 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 227 L C 2.547 179.447 176.870 0.049 0.000 1.077 227 L CA 1.429 56.311 54.840 0.069 0.000 0.747 227 L CB -0.557 41.543 42.059 0.069 0.000 0.896 227 L HN 0.332 nan 8.230 nan 0.000 0.432 228 I N -0.811 119.789 120.570 0.049 0.000 2.208 228 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 228 I C 2.853 178.992 176.117 0.037 0.000 1.097 228 I CA 1.401 62.723 61.300 0.037 0.000 1.363 228 I CB -0.346 37.679 38.000 0.041 0.000 1.051 228 I HN 0.267 nan 8.210 nan 0.000 0.413 229 S N 0.462 116.191 115.700 0.049 0.000 2.349 229 S HA -0.236 4.234 4.470 -0.000 0.000 0.216 229 S C 2.032 176.655 174.600 0.038 0.000 1.033 229 S CA 1.548 59.776 58.200 0.046 0.000 1.021 229 S CB -0.252 62.985 63.200 0.061 0.000 0.968 229 S HN 0.417 nan 8.310 nan 0.000 0.426 230 Q N 0.227 120.052 119.800 0.042 0.000 2.061 230 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 230 Q C 2.319 178.335 176.000 0.028 0.000 0.984 230 Q CA 1.833 57.657 55.803 0.036 0.000 0.846 230 Q CB -0.214 28.549 28.738 0.042 0.000 0.902 230 Q HN 0.680 nan 8.270 nan 0.000 0.421 231 E N 0.056 120.272 120.200 0.027 0.000 2.086 231 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 231 E C 1.977 178.584 176.600 0.012 0.000 0.975 231 E CA 0.516 56.927 56.400 0.018 0.000 0.813 231 E CB 0.212 29.923 29.700 0.018 0.000 0.768 231 E HN 0.260 nan 8.360 nan 0.000 0.457 232 L N -0.889 120.342 121.223 0.013 0.000 2.298 232 L HA 0.152 4.492 4.340 -0.000 0.000 0.209 232 L C 1.644 178.519 176.870 0.008 0.000 1.084 232 L CA 0.700 55.544 54.840 0.006 0.000 0.816 232 L CB 0.207 42.268 42.059 0.003 0.000 0.967 232 L HN 0.375 nan 8.230 nan 0.000 0.460 233 G N -0.669 108.139 108.800 0.014 0.000 2.195 233 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 233 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 233 G C 0.350 175.258 174.900 0.012 0.000 0.984 233 G CA 0.209 45.317 45.100 0.013 0.000 0.633 233 G HN 0.271 nan 8.290 nan 0.000 0.525 234 S N 1.025 116.734 115.700 0.015 0.000 2.560 234 S HA 0.337 4.807 4.470 -0.000 0.000 0.284 234 S C 0.551 175.163 174.600 0.020 0.000 1.327 234 S CA 0.182 58.392 58.200 0.016 0.000 1.055 234 S CB 0.840 64.052 63.200 0.020 0.000 0.868 234 S HN 0.465 nan 8.310 nan 0.000 0.506 235 K N 2.077 122.483 120.400 0.011 0.000 2.292 235 K HA 0.200 4.520 4.320 -0.000 0.000 0.290 235 K C -0.856 175.754 176.600 0.017 0.000 1.083 235 K CA -0.301 55.986 56.287 0.001 0.000 0.918 235 K CB 0.380 32.864 32.500 -0.027 0.000 1.089 235 K HN 0.282 nan 8.250 nan 0.000 0.473 236 V N 5.072 125.014 119.914 0.045 0.000 2.364 236 V HA -0.054 4.066 4.120 -0.000 0.000 0.252 236 V C 1.400 177.546 176.094 0.085 0.000 1.075 236 V CA -0.058 62.298 62.300 0.094 0.000 1.033 236 V CB 0.287 32.194 31.823 0.140 0.000 1.116 236 V HN 0.700 nan 8.190 nan 0.000 0.488 237 V N 2.160 122.097 119.914 0.039 0.000 3.306 237 V HA 0.584 4.704 4.120 -0.000 0.000 0.264 237 V C 0.762 176.895 176.094 0.064 0.000 1.149 237 V CA 0.959 63.201 62.300 -0.097 0.000 1.143 237 V CB -0.292 31.467 31.823 -0.106 0.000 0.767 237 V HN 0.874 nan 8.190 nan 0.000 0.476 238 A N -0.054 122.936 122.820 0.284 0.000 2.577 238 A HA 0.774 5.094 4.320 -0.000 0.000 0.297 238 A C -0.882 176.816 177.584 0.190 0.000 1.060 238 A CA 0.073 52.332 52.037 0.369 0.000 0.697 238 A CB 1.701 20.946 19.000 0.408 0.000 1.281 238 A HN 1.492 nan 8.150 nan 0.000 0.402 239 V N -0.986 118.952 119.914 0.041 0.000 3.159 239 V HA 1.016 5.136 4.120 -0.000 0.000 0.308 239 V C -0.396 175.615 176.094 -0.138 0.000 1.190 239 V CA -0.192 62.059 62.300 -0.082 0.000 1.037 239 V CB 1.661 33.304 31.823 -0.300 0.000 1.060 239 V HN 2.023 nan 8.190 nan 0.000 0.437 240 S N 0.227 115.873 115.700 -0.089 0.000 2.548 240 S HA 0.593 5.063 4.470 -0.000 0.000 0.276 240 S C -0.985 173.595 174.600 -0.032 0.000 1.129 240 S CA -0.645 57.514 58.200 -0.069 0.000 0.931 240 S CB 1.943 65.141 63.200 -0.003 0.000 1.068 240 S HN 1.045 nan 8.310 nan 0.000 0.480 241 D N 0.767 121.141 120.400 -0.043 0.000 2.466 241 D HA 0.304 4.944 4.640 -0.000 0.000 0.262 241 D C 0.374 176.693 176.300 0.031 0.000 1.177 241 D CA -0.355 53.654 54.000 0.014 0.000 1.035 241 D CB 1.659 42.459 40.800 0.001 0.000 1.105 241 D HN 0.694 nan 8.370 nan 0.000 0.551 242 S N 0.433 116.159 115.700 0.042 0.000 3.456 242 S HA 0.198 4.668 4.470 -0.000 0.000 0.229 242 S C 0.817 175.436 174.600 0.031 0.000 1.416 242 S CA -0.202 58.021 58.200 0.038 0.000 1.197 242 S CB 0.289 63.512 63.200 0.039 0.000 1.201 242 S HN 0.542 nan 8.310 nan 0.000 0.479 243 R N -0.349 120.167 120.500 0.026 0.000 2.554 243 R HA 0.290 4.630 4.340 -0.000 0.000 0.121 243 R C 0.394 176.706 176.300 0.020 0.000 0.888 243 R CA 0.648 56.762 56.100 0.024 0.000 2.274 243 R CB 0.199 30.516 30.300 0.028 0.000 1.574 243 R HN 0.581 nan 8.270 nan 0.000 0.511 244 G N -0.540 108.268 108.800 0.013 0.000 2.322 244 G HA2 0.422 4.382 3.960 -0.000 0.000 0.295 244 G HA3 0.422 4.382 3.960 -0.000 0.000 0.295 244 G C -1.399 173.497 174.900 -0.007 0.000 1.369 244 G CA -0.305 44.801 45.100 0.010 0.000 0.821 244 G HN 0.289 nan 8.290 nan 0.000 0.536 245 G N -1.201 107.598 108.800 -0.001 0.000 2.714 245 G HA2 0.857 4.817 3.960 -0.000 0.000 0.292 245 G HA3 0.857 4.817 3.960 -0.000 0.000 0.292 245 G C -0.610 174.297 174.900 0.012 0.000 1.308 245 G CA -0.504 44.587 45.100 -0.016 0.000 0.964 245 G HN 1.433 nan 8.290 nan 0.000 0.484 246 I N -1.969 118.606 120.570 0.009 0.000 2.545 246 I HA 0.735 4.905 4.170 -0.000 0.000 0.292 246 I C -1.642 174.707 176.117 0.387 0.000 1.040 246 I CA -1.211 60.166 61.300 0.127 0.000 1.068 246 I CB 2.440 40.419 38.000 -0.037 0.000 1.251 246 I HN 0.473 nan 8.210 nan 0.000 0.424 247 Y N 5.145 125.612 120.300 0.280 0.000 2.485 247 Y HA 0.673 5.223 4.550 -0.000 0.000 0.345 247 Y C -1.195 174.725 175.900 0.032 0.000 0.998 247 Y CA -0.798 57.422 58.100 0.201 0.000 1.059 247 Y CB 1.917 40.422 38.460 0.076 0.000 1.234 247 Y HN 0.790 nan 8.280 nan 0.000 0.461 248 N N 6.419 124.488 118.700 -1.052 0.000 2.905 248 N HA 0.199 4.939 4.740 -0.000 0.000 0.255 248 N C -2.712 172.186 175.510 -1.021 0.000 1.199 248 N CA -1.519 50.919 53.050 -1.020 0.000 0.911 248 N CB 2.017 39.820 38.487 -1.140 0.000 1.550 248 N HN 0.398 nan 8.380 nan 0.000 0.599 249 P HA -0.094 nan 4.420 nan 0.000 0.222 249 P C 0.427 177.537 177.300 -0.316 0.000 1.147 249 P CA 1.133 63.952 63.100 -0.469 0.000 0.790 249 P CB 0.593 32.152 31.700 -0.235 0.000 0.780 250 E N -0.254 119.745 120.200 -0.335 0.000 2.274 250 E HA 0.172 4.522 4.350 -0.000 0.000 0.194 250 E C 0.801 177.260 176.600 -0.234 0.000 0.996 250 E CA 0.435 56.694 56.400 -0.236 0.000 0.840 250 E CB -0.271 29.305 29.700 -0.207 0.000 0.772 250 E HN 0.266 nan 8.360 nan 0.000 0.491 251 G N 0.697 109.283 108.800 -0.356 0.000 3.067 251 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 251 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 251 G C -0.729 174.017 174.900 -0.258 0.000 1.119 251 G CA -0.944 43.998 45.100 -0.264 0.000 0.790 251 G HN 0.085 nan 8.290 nan 0.000 0.605 252 F N 1.157 121.078 119.950 -0.049 0.000 2.371 252 F HA 0.399 4.926 4.527 0.000 0.000 0.329 252 F C 1.114 176.906 175.800 -0.013 0.000 1.107 252 F CA -0.342 57.638 58.000 -0.033 0.000 1.137 252 F CB 1.439 40.390 39.000 -0.082 0.000 1.214 252 F HN 0.446 nan 8.300 nan 0.000 0.536 253 D N 2.716 123.267 120.400 0.252 0.000 2.500 253 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 253 D C 1.093 177.452 176.300 0.098 0.000 1.137 253 D CA -0.019 54.067 54.000 0.143 0.000 0.946 253 D CB 0.881 41.764 40.800 0.138 0.000 1.022 253 D HN 0.329 nan 8.370 nan 0.000 0.518 254 V N 3.786 123.759 119.914 0.097 0.000 2.313 254 V HA -0.314 3.806 4.120 -0.000 0.000 0.253 254 V C 2.286 178.419 176.094 0.066 0.000 1.070 254 V CA 1.790 64.141 62.300 0.085 0.000 1.057 254 V CB -0.491 31.395 31.823 0.106 0.000 0.653 254 V HN 0.572 nan 8.190 nan 0.000 0.450 255 E N -0.255 119.981 120.200 0.060 0.000 2.058 255 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 255 E C 2.326 178.962 176.600 0.059 0.000 0.997 255 E CA 1.567 57.999 56.400 0.053 0.000 0.801 255 E CB -0.206 29.527 29.700 0.055 0.000 0.746 255 E HN 0.704 nan 8.360 nan 0.000 0.450 256 E N 0.622 120.863 120.200 0.069 0.000 2.077 256 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 256 E C 2.277 178.894 176.600 0.029 0.000 0.989 256 E CA 0.627 57.087 56.400 0.100 0.000 0.800 256 E CB -0.060 29.743 29.700 0.172 0.000 0.746 256 E HN 0.235 nan 8.360 nan 0.000 0.452 257 L N 0.708 121.844 121.223 -0.146 0.000 2.042 257 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 257 L C 2.436 179.330 176.870 0.040 0.000 1.076 257 L CA 1.008 55.649 54.840 -0.331 0.000 0.749 257 L CB -0.314 41.463 42.059 -0.471 0.000 0.893 257 L HN 0.204 nan 8.230 nan 0.000 0.432 258 I N -0.867 119.793 120.570 0.150 0.000 2.202 258 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 258 I C 2.695 178.876 176.117 0.107 0.000 1.091 258 I CA 0.941 62.334 61.300 0.156 0.000 1.368 258 I CB -0.238 37.758 38.000 -0.007 0.000 1.058 258 I HN 0.173 nan 8.210 nan 0.000 0.410 259 R N 0.155 120.713 120.500 0.096 0.000 2.105 259 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 259 R C 2.147 178.537 176.300 0.149 0.000 1.135 259 R CA 1.474 57.633 56.100 0.097 0.000 0.967 259 R CB -1.098 29.264 30.300 0.104 0.000 0.861 259 R HN 0.400 nan 8.270 nan 0.000 0.442 260 Y N 1.213 121.571 120.300 0.096 0.000 2.145 260 Y HA -0.248 4.302 4.550 0.000 0.000 0.286 260 Y C 2.212 178.243 175.900 0.219 0.000 1.145 260 Y CA 2.010 60.234 58.100 0.206 0.000 1.148 260 Y CB -0.116 38.398 38.460 0.090 0.000 0.981 260 Y HN -0.009 nan 8.280 nan 0.000 0.507 261 K N 0.393 120.920 120.400 0.212 0.000 2.097 261 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 261 K C 2.002 178.616 176.600 0.024 0.000 1.049 261 K CA 1.636 57.999 56.287 0.126 0.000 0.933 261 K CB -0.102 32.526 32.500 0.214 0.000 0.717 261 K HN 0.297 nan 8.250 nan 0.000 0.442 262 K N 0.312 120.720 120.400 0.013 0.000 2.097 262 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 262 K C 1.933 178.465 176.600 -0.114 0.000 1.050 262 K CA 1.485 57.749 56.287 -0.039 0.000 0.938 262 K CB 0.038 32.521 32.500 -0.028 0.000 0.718 262 K HN 0.275 nan 8.250 nan 0.000 0.442 263 E N 0.006 120.094 120.200 -0.188 0.000 2.400 263 E HA -0.034 4.316 4.350 -0.000 0.000 0.195 263 E C -0.667 175.462 176.600 -0.786 0.000 1.012 263 E CA 0.231 56.371 56.400 -0.433 0.000 0.875 263 E CB 0.394 29.822 29.700 -0.455 0.000 0.859 263 E HN 0.327 nan 8.360 nan 0.000 0.498 264 H N -2.049 116.845 119.070 -0.294 0.000 3.108 264 H HA 0.257 4.813 4.556 -0.000 0.000 0.329 264 H C 0.727 175.945 175.328 -0.183 0.000 0.978 264 H CA -0.157 55.701 56.048 -0.317 0.000 1.413 264 H CB 1.746 31.107 29.762 -0.667 0.000 1.670 264 H HN 0.094 nan 8.280 nan 0.000 0.512 265 G N 2.733 111.525 108.800 -0.013 0.000 2.785 265 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.225 265 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.225 265 G C 0.685 175.611 174.900 0.044 0.000 1.093 265 G CA 1.825 46.932 45.100 0.011 0.000 0.740 265 G HN 0.715 nan 8.290 nan 0.000 0.629 266 T N -4.141 110.455 114.554 0.070 0.000 2.901 266 T HA 0.472 4.822 4.350 -0.000 0.000 0.293 266 T C 0.963 175.768 174.700 0.174 0.000 1.084 266 T CA -0.006 62.148 62.100 0.090 0.000 1.008 266 T CB 1.936 70.846 68.868 0.070 0.000 1.170 266 T HN 0.556 nan 8.240 nan 0.000 0.509 267 V N -0.397 119.558 119.914 0.069 0.000 3.461 267 V HA 0.262 4.382 4.120 -0.000 0.000 0.267 267 V C 0.921 176.997 176.094 -0.029 0.000 1.186 267 V CA -0.034 62.255 62.300 -0.019 0.000 1.154 267 V CB -1.120 30.419 31.823 -0.472 0.000 0.802 267 V HN 0.704 nan 8.190 nan 0.000 0.474 268 V N 1.485 121.426 119.914 0.046 0.000 3.096 268 V HA 0.290 4.410 4.120 -0.000 0.000 0.306 268 V C 1.638 177.797 176.094 0.109 0.000 1.088 268 V CA 1.092 63.414 62.300 0.036 0.000 1.129 268 V CB 0.291 32.137 31.823 0.040 0.000 1.014 268 V HN 0.737 nan 8.190 nan 0.000 0.486 269 T N 0.505 115.090 114.554 0.053 0.000 8.650 269 T HA -0.289 4.061 4.350 -0.000 0.000 0.321 269 T C 0.076 174.758 174.700 -0.031 0.000 2.013 269 T CA 1.443 63.575 62.100 0.055 0.000 3.192 269 T CB -1.788 67.153 68.868 0.122 0.000 2.061 269 T HN 0.918 nan 8.240 nan 0.000 1.035 270 Y N 5.929 125.997 120.300 -0.386 0.000 2.729 270 Y HA 0.335 4.885 4.550 -0.000 0.000 0.331 270 Y C -1.696 173.982 175.900 -0.370 0.000 1.208 270 Y CA -1.878 55.713 58.100 -0.848 0.000 1.521 270 Y CB 0.473 38.235 38.460 -1.163 0.000 1.233 270 Y HN 0.136 nan 8.280 nan 0.000 0.539 271 P HA -0.047 nan 4.420 nan 0.000 0.268 271 P C -0.742 176.216 177.300 -0.570 0.000 1.208 271 P CA 0.067 62.840 63.100 -0.545 0.000 0.777 271 P CB 0.701 32.136 31.700 -0.441 0.000 0.875 272 K N -0.229 120.024 120.400 -0.245 0.000 3.167 272 K HA -0.125 4.195 4.320 -0.000 0.000 0.272 272 K C -0.435 176.195 176.600 0.050 0.000 1.137 272 K CA 0.765 56.983 56.287 -0.116 0.000 0.800 272 K CB -1.784 30.639 32.500 -0.127 0.000 1.253 272 K HN 0.940 nan 8.250 nan 0.000 0.497 273 G N 1.356 110.209 108.800 0.088 0.000 2.704 273 G HA2 0.265 4.225 3.960 -0.000 0.000 0.280 273 G HA3 0.265 4.225 3.960 -0.000 0.000 0.280 273 G C -1.300 173.693 174.900 0.156 0.000 1.499 273 G CA -0.576 44.685 45.100 0.268 0.000 1.146 273 G HN 0.252 nan 8.290 nan 0.000 0.558 274 E N 2.354 122.646 120.200 0.152 0.000 2.265 274 E HA 0.131 4.481 4.350 -0.000 0.000 0.272 274 E C 0.431 177.124 176.600 0.155 0.000 1.067 274 E CA -0.301 56.182 56.400 0.138 0.000 0.900 274 E CB 0.515 30.319 29.700 0.174 0.000 1.017 274 E HN 0.372 nan 8.360 nan 0.000 0.431 275 R N 4.515 125.071 120.500 0.094 0.000 2.522 275 R HA 0.226 4.566 4.340 -0.000 0.000 0.284 275 R C 0.228 176.564 176.300 0.061 0.000 1.032 275 R CA 0.299 56.442 56.100 0.072 0.000 1.049 275 R CB 0.032 30.357 30.300 0.042 0.000 0.956 275 R HN 0.511 nan 8.270 nan 0.000 0.422 276 I N -2.475 118.128 120.570 0.055 0.000 2.994 276 I HA 0.419 4.589 4.170 -0.000 0.000 0.306 276 I C -0.174 175.954 176.117 0.019 0.000 1.195 276 I CA -1.046 60.269 61.300 0.026 0.000 1.001 276 I CB 2.348 40.354 38.000 0.010 0.000 1.244 276 I HN 0.367 nan 8.210 nan 0.000 0.437 277 T N 1.341 115.900 114.554 0.008 0.000 2.882 277 T HA 0.252 4.602 4.350 -0.000 0.000 0.287 277 T C 0.855 175.562 174.700 0.012 0.000 1.014 277 T CA 0.069 62.175 62.100 0.011 0.000 1.049 277 T CB 0.761 69.635 68.868 0.010 0.000 1.001 277 T HN 0.782 nan 8.240 nan 0.000 0.525 278 N N 1.796 120.507 118.700 0.018 0.000 2.149 278 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 278 N C 1.740 177.261 175.510 0.018 0.000 1.019 278 N CA 1.130 54.194 53.050 0.023 0.000 0.857 278 N CB -0.098 38.407 38.487 0.031 0.000 0.997 278 N HN 0.613 nan 8.380 nan 0.000 0.426 279 E N 0.646 120.857 120.200 0.019 0.000 2.204 279 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 279 E C 1.515 178.108 176.600 -0.011 0.000 0.990 279 E CA 0.691 57.098 56.400 0.012 0.000 0.821 279 E CB -0.040 29.676 29.700 0.027 0.000 0.750 279 E HN 0.556 nan 8.360 nan 0.000 0.477 280 E N 0.580 120.770 120.200 -0.016 0.000 2.072 280 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 280 E C 2.259 178.830 176.600 -0.050 0.000 0.982 280 E CA 0.170 56.546 56.400 -0.040 0.000 0.803 280 E CB -0.023 29.649 29.700 -0.047 0.000 0.755 280 E HN 0.109 nan 8.360 nan 0.000 0.453 281 L N 1.018 122.227 121.223 -0.024 0.000 2.043 281 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 281 L C 2.149 179.016 176.870 -0.006 0.000 1.075 281 L CA 1.245 56.081 54.840 -0.006 0.000 0.752 281 L CB -0.138 41.939 42.059 0.029 0.000 0.891 281 L HN 0.183 nan 8.230 nan 0.000 0.432 282 L N -0.579 120.638 121.223 -0.010 0.000 2.127 282 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 282 L C 1.935 178.788 176.870 -0.029 0.000 1.089 282 L CA 1.321 56.152 54.840 -0.016 0.000 0.757 282 L CB -0.521 41.519 42.059 -0.031 0.000 0.899 282 L HN 0.372 nan 8.230 nan 0.000 0.434 283 E N -0.130 120.045 120.200 -0.041 0.000 2.465 283 E HA 0.144 4.494 4.350 -0.000 0.000 0.191 283 E C 0.292 176.859 176.600 -0.055 0.000 1.053 283 E CA -0.310 56.061 56.400 -0.048 0.000 0.869 283 E CB 0.254 29.922 29.700 -0.053 0.000 0.977 283 E HN 0.408 nan 8.360 nan 0.000 0.483 284 L N 1.379 122.569 121.223 -0.056 0.000 2.483 284 L HA 0.017 4.357 4.340 -0.000 0.000 0.276 284 L C 0.511 177.366 176.870 -0.026 0.000 1.213 284 L CA 0.011 54.808 54.840 -0.072 0.000 0.843 284 L CB 0.273 42.301 42.059 -0.051 0.000 1.107 284 L HN -0.036 nan 8.230 nan 0.000 0.487 285 D N 2.287 122.674 120.400 -0.022 0.000 2.551 285 D HA 0.306 4.946 4.640 -0.000 0.000 0.223 285 D C -0.580 175.742 176.300 0.038 0.000 1.144 285 D CA -0.223 53.781 54.000 0.006 0.000 1.025 285 D CB 0.226 41.028 40.800 0.003 0.000 1.085 285 D HN 0.247 nan 8.370 nan 0.000 0.506 286 V N -0.148 119.789 119.914 0.039 0.000 3.001 286 V HA 0.469 4.589 4.120 -0.000 0.000 0.314 286 V C 0.773 176.889 176.094 0.036 0.000 1.099 286 V CA -0.752 61.579 62.300 0.052 0.000 0.989 286 V CB 2.104 33.969 31.823 0.070 0.000 1.040 286 V HN 0.047 nan 8.190 nan 0.000 0.434 287 D N 1.042 121.462 120.400 0.035 0.000 2.103 287 D HA 0.136 4.776 4.640 -0.000 0.000 0.199 287 D C 0.563 176.881 176.300 0.029 0.000 0.978 287 D CA 1.959 55.976 54.000 0.028 0.000 0.829 287 D CB 0.301 41.116 40.800 0.024 0.000 0.981 287 D HN 0.554 nan 8.370 nan 0.000 0.464 288 I N 1.022 121.612 120.570 0.034 0.000 2.465 288 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 288 I C -0.988 175.154 176.117 0.041 0.000 1.014 288 I CA -1.000 60.321 61.300 0.034 0.000 1.093 288 I CB 2.715 40.734 38.000 0.031 0.000 1.267 288 I HN -0.174 nan 8.210 nan 0.000 0.431 289 L N 8.124 129.369 121.223 0.037 0.000 2.298 289 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 289 L C -0.866 176.028 176.870 0.039 0.000 1.013 289 L CA -0.337 54.527 54.840 0.039 0.000 0.824 289 L CB 1.559 43.635 42.059 0.028 0.000 1.221 289 L HN 0.326 nan 8.230 nan 0.000 0.418 290 V N 7.801 127.743 119.914 0.047 0.000 2.259 290 V HA 0.375 4.495 4.120 -0.000 0.000 0.267 290 V C -2.082 174.040 176.094 0.047 0.000 1.051 290 V CA -1.155 61.172 62.300 0.045 0.000 0.830 290 V CB 0.871 32.725 31.823 0.051 0.000 1.080 290 V HN 0.688 nan 8.190 nan 0.000 0.467 291 P HA 0.275 nan 4.420 nan 0.000 0.277 291 P C -0.149 177.172 177.300 0.035 0.000 1.354 291 P CA 0.011 63.133 63.100 0.037 0.000 0.891 291 P CB 1.265 32.982 31.700 0.028 0.000 1.058 292 A N 3.012 125.858 122.820 0.043 0.000 3.113 292 A HA 0.621 4.941 4.320 -0.000 0.000 0.307 292 A C 0.738 178.345 177.584 0.039 0.000 1.025 292 A CA -0.061 51.998 52.037 0.036 0.000 1.012 292 A CB 0.014 19.036 19.000 0.037 0.000 1.085 292 A HN 0.488 nan 8.150 nan 0.000 0.519 293 A N 0.069 122.911 122.820 0.038 0.000 2.017 293 A HA 0.802 5.122 4.320 -0.000 0.000 0.194 293 A C -0.010 177.593 177.584 0.031 0.000 1.985 293 A CA 0.056 52.116 52.037 0.039 0.000 1.584 293 A CB 0.133 19.162 19.000 0.048 0.000 1.244 293 A HN 0.428 nan 8.150 nan 0.000 0.587 294 L N 0.460 121.704 121.223 0.035 0.000 2.298 294 L HA 0.458 4.798 4.340 -0.000 0.000 0.268 294 L C -0.290 176.601 176.870 0.035 0.000 1.010 294 L CA -0.838 54.022 54.840 0.033 0.000 0.812 294 L CB 1.302 43.383 42.059 0.036 0.000 1.331 294 L HN 0.547 nan 8.230 nan 0.000 0.450 295 E N -0.036 120.183 120.200 0.032 0.000 2.374 295 E HA 0.238 4.588 4.350 -0.000 0.000 0.260 295 E C 0.681 177.311 176.600 0.051 0.000 1.101 295 E CA 0.380 56.800 56.400 0.034 0.000 0.907 295 E CB 0.451 30.169 29.700 0.030 0.000 1.014 295 E HN 0.825 nan 8.360 nan 0.000 0.427 296 G N 1.151 109.988 108.800 0.061 0.000 2.212 296 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.267 296 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.267 296 G C 0.977 175.988 174.900 0.186 0.000 1.002 296 G CA 0.723 45.882 45.100 0.098 0.000 0.729 296 G HN 0.647 nan 8.290 nan 0.000 0.517 297 A N -0.392 122.507 122.820 0.132 0.000 1.851 297 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 297 A C 1.446 179.099 177.584 0.115 0.000 1.195 297 A CA 1.416 53.534 52.037 0.135 0.000 0.622 297 A CB -0.112 18.929 19.000 0.067 0.000 0.831 297 A HN 0.872 nan 8.150 nan 0.000 0.444 298 I N 2.102 122.698 120.570 0.043 0.000 2.281 298 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 298 I C 0.212 176.325 176.117 -0.007 0.000 1.085 298 I CA -0.396 60.869 61.300 -0.057 0.000 1.257 298 I CB 0.073 38.055 38.000 -0.029 0.000 1.430 298 I HN 0.554 nan 8.210 nan 0.000 0.489 299 H N 4.371 123.448 119.070 0.011 0.000 2.824 299 H HA 0.540 5.096 4.556 -0.000 0.000 0.345 299 H C 0.905 176.239 175.328 0.010 0.000 1.252 299 H CA -0.694 55.360 56.048 0.011 0.000 1.246 299 H CB 0.796 30.565 29.762 0.012 0.000 1.908 299 H HN 0.417 nan 8.280 nan 0.000 0.601 300 A N 0.505 123.432 122.820 0.178 0.000 1.906 300 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 300 A C 2.405 180.024 177.584 0.060 0.000 1.282 300 A CA 3.206 55.302 52.037 0.098 0.000 0.675 300 A CB -1.871 17.190 19.000 0.102 0.000 0.838 300 A HN 0.902 nan 8.150 nan 0.000 0.469 301 G N -0.802 108.078 108.800 0.133 0.000 2.440 301 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 301 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 301 G C 1.354 176.214 174.900 -0.067 0.000 1.154 301 G CA 1.392 46.526 45.100 0.056 0.000 0.767 301 G HN 0.679 nan 8.290 nan 0.000 0.552 302 N N 1.134 119.691 118.700 -0.239 0.000 2.171 302 N HA 0.121 4.861 4.740 -0.000 0.000 0.184 302 N C 2.446 177.881 175.510 -0.124 0.000 1.021 302 N CA 1.110 54.028 53.050 -0.221 0.000 0.854 302 N CB -0.395 37.877 38.487 -0.359 0.000 0.994 302 N HN 0.315 nan 8.380 nan 0.000 0.426 303 A N 1.922 124.677 122.820 -0.108 0.000 1.906 303 A HA -0.327 3.993 4.320 -0.000 0.000 0.222 303 A C 1.979 179.541 177.584 -0.036 0.000 1.282 303 A CA 2.017 54.021 52.037 -0.054 0.000 0.675 303 A CB -0.811 18.173 19.000 -0.026 0.000 0.838 303 A HN 0.262 nan 8.150 nan 0.000 0.469 304 E N -0.537 119.646 120.200 -0.028 0.000 2.130 304 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 304 E C 1.780 178.367 176.600 -0.022 0.000 0.998 304 E CA 1.401 57.790 56.400 -0.018 0.000 0.806 304 E CB -0.247 29.446 29.700 -0.012 0.000 0.738 304 E HN 0.708 nan 8.360 nan 0.000 0.459 305 R N 0.197 120.677 120.500 -0.032 0.000 2.466 305 R HA 0.296 4.636 4.340 -0.000 0.000 0.279 305 R C 0.393 176.672 176.300 -0.035 0.000 0.976 305 R CA -0.159 55.922 56.100 -0.032 0.000 1.081 305 R CB 0.384 30.664 30.300 -0.034 0.000 1.215 305 R HN 0.039 nan 8.270 nan 0.000 0.546 306 I N 1.741 122.290 120.570 -0.034 0.000 2.337 306 I HA 0.041 4.211 4.170 -0.000 0.000 0.291 306 I C 0.837 176.943 176.117 -0.017 0.000 1.046 306 I CA 0.081 61.363 61.300 -0.029 0.000 1.324 306 I CB 1.252 39.233 38.000 -0.031 0.000 1.409 306 I HN 0.072 nan 8.210 nan 0.000 0.494 307 K N 4.841 125.232 120.400 -0.015 0.000 2.444 307 K HA 0.204 4.524 4.320 -0.000 0.000 0.193 307 K C 0.721 177.321 176.600 0.001 0.000 1.024 307 K CA -0.111 56.172 56.287 -0.008 0.000 1.077 307 K CB 0.301 32.795 32.500 -0.010 0.000 0.833 307 K HN 0.672 nan 8.250 nan 0.000 0.517 308 A N 1.686 124.507 122.820 0.003 0.000 2.440 308 A HA 0.059 4.379 4.320 -0.000 0.000 0.251 308 A C 0.654 178.246 177.584 0.013 0.000 1.089 308 A CA -0.107 51.937 52.037 0.012 0.000 0.779 308 A CB 0.399 19.408 19.000 0.014 0.000 1.022 308 A HN 0.185 nan 8.150 nan 0.000 0.492 309 K N 0.969 121.380 120.400 0.018 0.000 2.228 309 K HA 0.190 4.510 4.320 -0.000 0.000 0.202 309 K C 0.550 177.165 176.600 0.025 0.000 1.051 309 K CA 1.325 57.623 56.287 0.020 0.000 0.960 309 K CB 0.046 32.559 32.500 0.021 0.000 0.743 309 K HN 0.786 nan 8.250 nan 0.000 0.458 310 A N 0.601 123.438 122.820 0.028 0.000 2.549 310 A HA 0.525 4.845 4.320 -0.000 0.000 0.297 310 A C -1.302 176.302 177.584 0.033 0.000 1.061 310 A CA -0.716 51.342 52.037 0.036 0.000 0.690 310 A CB 1.809 20.837 19.000 0.047 0.000 1.287 310 A HN -0.096 nan 8.150 nan 0.000 0.402 311 V N 1.850 121.784 119.914 0.034 0.000 2.378 311 V HA 0.433 4.553 4.120 -0.000 0.000 0.288 311 V C -0.465 175.652 176.094 0.038 0.000 1.016 311 V CA -0.542 61.776 62.300 0.030 0.000 0.840 311 V CB 1.449 33.284 31.823 0.020 0.000 0.994 311 V HN 0.649 nan 8.190 nan 0.000 0.431 312 V N 4.359 124.296 119.914 0.038 0.000 2.259 312 V HA 0.247 4.367 4.120 -0.000 0.000 0.267 312 V C 0.598 176.710 176.094 0.031 0.000 1.051 312 V CA -0.557 61.768 62.300 0.042 0.000 0.830 312 V CB 0.573 32.419 31.823 0.039 0.000 1.080 312 V HN 0.922 nan 8.190 nan 0.000 0.467 313 E N 3.466 123.679 120.200 0.022 0.000 2.175 313 E HA 0.013 4.363 4.350 -0.000 0.000 0.247 313 E C 1.455 178.060 176.600 0.009 0.000 1.259 313 E CA 0.301 56.707 56.400 0.010 0.000 0.969 313 E CB 0.588 30.284 29.700 -0.007 0.000 1.051 313 E HN 0.826 nan 8.360 nan 0.000 0.448 314 G N 2.816 111.627 108.800 0.017 0.000 2.448 314 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 314 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 314 G C 0.635 175.540 174.900 0.010 0.000 1.135 314 G CA 0.601 45.712 45.100 0.018 0.000 0.784 314 G HN 0.525 nan 8.290 nan 0.000 0.543 315 A N -0.234 122.590 122.820 0.006 0.000 2.352 315 A HA 0.675 4.995 4.320 -0.000 0.000 0.299 315 A C -0.428 177.145 177.584 -0.018 0.000 1.160 315 A CA -0.760 51.276 52.037 -0.001 0.000 0.933 315 A CB 0.668 19.673 19.000 0.009 0.000 1.387 315 A HN 0.107 nan 8.150 nan 0.000 0.487 316 N N 0.136 118.821 118.700 -0.024 0.000 2.434 316 N HA 0.424 5.164 4.740 -0.000 0.000 0.272 316 N C 0.632 176.118 175.510 -0.040 0.000 1.040 316 N CA 1.053 54.072 53.050 -0.051 0.000 0.956 316 N CB 1.117 39.570 38.487 -0.055 0.000 1.108 316 N HN 1.315 nan 8.380 nan 0.000 0.481 317 G N 3.262 112.027 108.800 -0.058 0.000 2.305 317 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.287 317 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.287 317 G C -1.541 173.361 174.900 0.003 0.000 1.036 317 G CA -0.264 44.818 45.100 -0.030 0.000 0.887 317 G HN 0.484 nan 8.290 nan 0.000 0.505 318 P HA -0.011 nan 4.420 nan 0.000 0.216 318 P C 1.436 178.757 177.300 0.034 0.000 1.153 318 P CA 1.956 65.070 63.100 0.023 0.000 0.848 318 P CB 0.084 31.794 31.700 0.017 0.000 0.787 319 T N -2.379 112.189 114.554 0.023 0.000 2.767 319 T HA 0.428 4.778 4.350 -0.000 0.000 0.288 319 T C 0.261 174.983 174.700 0.038 0.000 0.963 319 T CA -0.711 61.406 62.100 0.028 0.000 1.019 319 T CB 0.480 69.357 68.868 0.015 0.000 0.923 319 T HN 0.000 nan 8.240 nan 0.000 0.468 320 T N 1.489 116.077 114.554 0.057 0.000 2.868 320 T HA 0.317 4.667 4.350 -0.000 0.000 0.292 320 T C -1.247 173.482 174.700 0.048 0.000 1.028 320 T CA -1.661 60.475 62.100 0.060 0.000 1.059 320 T CB 0.629 69.546 68.868 0.082 0.000 0.991 320 T HN 0.391 nan 8.240 nan 0.000 0.531 321 P HA -0.156 nan 4.420 nan 0.000 0.216 321 P C 1.246 178.567 177.300 0.036 0.000 1.150 321 P CA 1.232 64.357 63.100 0.042 0.000 0.843 321 P CB 0.151 31.876 31.700 0.042 0.000 0.787 322 E N 0.518 120.741 120.200 0.039 0.000 2.058 322 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 322 E C 2.283 178.902 176.600 0.032 0.000 0.997 322 E CA 1.580 58.002 56.400 0.036 0.000 0.801 322 E CB -1.225 28.502 29.700 0.044 0.000 0.746 322 E HN 0.263 nan 8.360 nan 0.000 0.450 323 A N 1.907 124.749 122.820 0.037 0.000 1.933 323 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 323 A C 1.941 179.535 177.584 0.016 0.000 1.175 323 A CA 1.652 53.702 52.037 0.023 0.000 0.628 323 A CB -0.392 18.621 19.000 0.022 0.000 0.814 323 A HN 0.096 nan 8.150 nan 0.000 0.444 324 D N -0.219 120.194 120.400 0.021 0.000 2.092 324 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 324 D C 1.918 178.227 176.300 0.015 0.000 0.994 324 D CA 1.650 55.661 54.000 0.018 0.000 0.828 324 D CB -0.309 40.505 40.800 0.024 0.000 0.963 324 D HN 0.631 nan 8.370 nan 0.000 0.450 325 E N 0.301 120.511 120.200 0.016 0.000 2.070 325 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 325 E C 2.428 179.034 176.600 0.010 0.000 1.004 325 E CA 0.719 57.127 56.400 0.013 0.000 0.805 325 E CB -0.088 29.621 29.700 0.014 0.000 0.744 325 E HN 0.363 nan 8.360 nan 0.000 0.451 326 I N 0.870 121.446 120.570 0.010 0.000 2.202 326 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 326 I C 2.433 178.552 176.117 0.004 0.000 1.091 326 I CA 0.955 62.259 61.300 0.006 0.000 1.368 326 I CB -0.293 37.710 38.000 0.005 0.000 1.058 326 I HN 0.106 nan 8.210 nan 0.000 0.410 327 L N 0.101 121.327 121.223 0.003 0.000 2.042 327 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 327 L C 2.711 179.584 176.870 0.005 0.000 1.076 327 L CA 1.371 56.212 54.840 0.003 0.000 0.749 327 L CB -0.598 41.463 42.059 0.003 0.000 0.893 327 L HN 0.199 nan 8.230 nan 0.000 0.432 328 S N -0.730 114.974 115.700 0.006 0.000 2.368 328 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 328 S C 2.038 176.641 174.600 0.006 0.000 1.029 328 S CA 1.012 59.215 58.200 0.006 0.000 0.988 328 S CB -0.294 62.909 63.200 0.007 0.000 0.838 328 S HN 0.322 nan 8.310 nan 0.000 0.462 329 R N 1.275 121.778 120.500 0.006 0.000 2.081 329 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 329 R C 1.985 178.287 176.300 0.004 0.000 1.131 329 R CA 1.158 57.261 56.100 0.005 0.000 0.960 329 R CB -0.059 30.244 30.300 0.005 0.000 0.856 329 R HN 0.297 nan 8.270 nan 0.000 0.436 330 R N -1.036 119.466 120.500 0.004 0.000 2.313 330 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 330 R C 0.984 177.287 176.300 0.005 0.000 0.958 330 R CA 0.579 56.681 56.100 0.003 0.000 1.047 330 R CB 0.375 30.676 30.300 0.001 0.000 0.955 330 R HN 0.499 nan 8.270 nan 0.000 0.481 331 G N 1.491 110.294 108.800 0.006 0.000 2.148 331 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 331 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 331 G C 0.167 175.073 174.900 0.011 0.000 0.981 331 G CA -0.241 44.864 45.100 0.008 0.000 0.670 331 G HN 0.262 nan 8.290 nan 0.000 0.528 332 I N 1.027 121.602 120.570 0.009 0.000 2.379 332 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 332 I C 0.848 176.974 176.117 0.015 0.000 1.063 332 I CA -0.863 60.445 61.300 0.012 0.000 1.351 332 I CB 0.970 38.974 38.000 0.008 0.000 1.410 332 I HN 0.140 nan 8.210 nan 0.000 0.505 333 L N 9.255 130.492 121.223 0.023 0.000 2.410 333 L HA 0.194 4.534 4.340 -0.000 0.000 0.273 333 L C -0.338 176.550 176.870 0.030 0.000 1.144 333 L CA 0.428 55.285 54.840 0.029 0.000 0.863 333 L CB 0.784 42.872 42.059 0.049 0.000 1.140 333 L HN 0.319 nan 8.230 nan 0.000 0.463 334 V N 6.574 126.500 119.914 0.019 0.000 2.325 334 V HA 0.246 4.366 4.120 -0.000 0.000 0.280 334 V C -0.119 175.983 176.094 0.013 0.000 1.016 334 V CA -0.805 61.505 62.300 0.016 0.000 0.818 334 V CB 1.322 33.148 31.823 0.005 0.000 1.019 334 V HN 0.529 nan 8.190 nan 0.000 0.434 335 V N 8.561 128.501 119.914 0.044 0.000 2.421 335 V HA 0.145 4.265 4.120 -0.000 0.000 0.271 335 V C -1.531 174.568 176.094 0.008 0.000 1.031 335 V CA -1.176 61.159 62.300 0.060 0.000 1.032 335 V CB 0.752 32.670 31.823 0.158 0.000 1.009 335 V HN 0.681 nan 8.190 nan 0.000 0.477 336 P HA 0.025 nan 4.420 nan 0.000 0.265 336 P C 0.140 177.391 177.300 -0.082 0.000 1.193 336 P CA -0.073 62.970 63.100 -0.095 0.000 0.765 336 P CB 0.757 32.348 31.700 -0.183 0.000 0.823 337 D N 4.157 124.502 120.400 -0.092 0.000 2.116 337 D HA -0.262 4.378 4.640 -0.000 0.000 0.193 337 D C 1.762 178.011 176.300 -0.085 0.000 0.998 337 D CA 1.490 55.443 54.000 -0.078 0.000 0.836 337 D CB -1.234 39.510 40.800 -0.093 0.000 0.951 337 D HN 0.530 nan 8.370 nan 0.000 0.449 338 I N -1.884 118.602 120.570 -0.139 0.000 2.399 338 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 338 I C 2.068 178.149 176.117 -0.060 0.000 1.146 338 I CA 1.132 62.367 61.300 -0.109 0.000 1.412 338 I CB -0.347 37.556 38.000 -0.162 0.000 1.076 338 I HN 0.081 nan 8.210 nan 0.000 0.432 339 L N 1.470 122.659 121.223 -0.057 0.000 2.269 339 L HA 0.365 4.705 4.340 -0.000 0.000 0.200 339 L C 2.593 179.483 176.870 0.034 0.000 1.069 339 L CA 1.685 56.524 54.840 -0.002 0.000 0.804 339 L CB -0.874 41.187 42.059 0.003 0.000 0.987 339 L HN 0.142 nan 8.230 nan 0.000 0.468 340 A N 1.197 124.034 122.820 0.028 0.000 1.851 340 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 340 A C 1.828 179.425 177.584 0.021 0.000 1.195 340 A CA 2.061 54.120 52.037 0.037 0.000 0.622 340 A CB -1.233 17.785 19.000 0.030 0.000 0.831 340 A HN 0.741 nan 8.150 nan 0.000 0.444 341 N N 0.069 118.772 118.700 0.005 0.000 2.383 341 N HA 0.301 5.041 4.740 -0.000 0.000 0.192 341 N C 1.057 176.568 175.510 0.001 0.000 1.141 341 N CA 1.018 54.071 53.050 0.004 0.000 0.851 341 N CB -0.443 38.042 38.487 -0.003 0.000 0.976 341 N HN 0.353 nan 8.380 nan 0.000 0.465 342 A N 0.458 123.281 122.820 0.004 0.000 2.076 342 A HA 0.035 4.355 4.320 -0.000 0.000 0.220 342 A C 2.248 179.832 177.584 0.001 0.000 1.160 342 A CA 1.311 53.350 52.037 0.003 0.000 0.653 342 A CB -1.435 17.570 19.000 0.010 0.000 0.801 342 A HN 0.427 nan 8.150 nan 0.000 0.455 343 G N -0.189 108.616 108.800 0.008 0.000 2.507 343 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.221 343 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.221 343 G C 1.487 176.381 174.900 -0.010 0.000 1.119 343 G CA 1.361 46.464 45.100 0.006 0.000 0.751 343 G HN 0.711 nan 8.290 nan 0.000 0.574 344 G N 0.355 109.148 108.800 -0.012 0.000 2.433 344 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 344 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 344 G C 1.788 176.675 174.900 -0.023 0.000 1.186 344 G CA 1.366 46.455 45.100 -0.018 0.000 0.779 344 G HN 0.355 nan 8.290 nan 0.000 0.543 345 V N 1.177 121.079 119.914 -0.019 0.000 2.343 345 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 345 V C 3.137 179.227 176.094 -0.006 0.000 1.051 345 V CA 2.285 64.580 62.300 -0.009 0.000 1.036 345 V CB -1.174 30.649 31.823 -0.000 0.000 0.654 345 V HN 0.396 nan 8.190 nan 0.000 0.451 346 T N 0.187 114.703 114.554 -0.062 0.000 2.699 346 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 346 T C 1.916 176.336 174.700 -0.467 0.000 1.036 346 T CA 1.717 63.693 62.100 -0.206 0.000 1.147 346 T CB -0.310 68.461 68.868 -0.163 0.000 0.862 346 T HN 0.312 nan 8.240 nan 0.000 0.446 347 V N 2.044 121.829 119.914 -0.216 0.000 2.453 347 V HA -0.135 3.985 4.120 -0.000 0.000 0.247 347 V C 2.829 178.917 176.094 -0.009 0.000 1.048 347 V CA 1.767 64.016 62.300 -0.085 0.000 1.049 347 V CB -0.763 31.094 31.823 0.057 0.000 0.672 347 V HN 0.679 nan 8.190 nan 0.000 0.457 348 S N -0.089 115.620 115.700 0.014 0.000 2.399 348 S HA -0.289 4.181 4.470 -0.000 0.000 0.231 348 S C 2.031 176.759 174.600 0.212 0.000 1.022 348 S CA 1.729 59.973 58.200 0.072 0.000 0.983 348 S CB -0.744 62.465 63.200 0.015 0.000 0.803 348 S HN 0.646 nan 8.310 nan 0.000 0.480 349 Y N 2.253 122.624 120.300 0.119 0.000 2.114 349 Y HA -0.047 4.503 4.550 -0.000 0.000 0.284 349 Y C 1.760 177.838 175.900 0.297 0.000 1.143 349 Y CA 1.023 59.309 58.100 0.311 0.000 1.135 349 Y CB -0.962 37.533 38.460 0.059 0.000 0.980 349 Y HN 0.221 nan 8.280 nan 0.000 0.499 350 F N 1.139 121.033 119.950 -0.094 0.000 2.161 350 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 350 F C 2.629 178.171 175.800 -0.430 0.000 1.089 350 F CA 1.531 59.290 58.000 -0.402 0.000 1.282 350 F CB -1.300 37.563 39.000 -0.228 0.000 1.010 350 F HN 0.251 nan 8.300 nan 0.000 0.485 351 E N -0.761 119.455 120.200 0.026 0.000 2.031 351 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 351 E C 2.241 178.864 176.600 0.037 0.000 0.994 351 E CA 1.531 57.934 56.400 0.006 0.000 0.800 351 E CB -0.538 29.205 29.700 0.072 0.000 0.752 351 E HN 0.415 nan 8.360 nan 0.000 0.447 352 W N 0.964 122.247 121.300 -0.029 0.000 2.321 352 W HA -0.267 4.392 4.660 -0.000 0.000 0.306 352 W C 1.950 178.428 176.519 -0.069 0.000 1.217 352 W CA 1.923 59.276 57.345 0.015 0.000 1.257 352 W CB -0.604 28.983 29.460 0.211 0.000 1.145 352 W HN -0.044 nan 8.180 nan 0.000 0.509 353 V N 0.858 120.681 119.914 -0.152 0.000 2.233 353 V HA -0.401 3.719 4.120 -0.000 0.000 0.247 353 V C 2.369 178.213 176.094 -0.416 0.000 1.050 353 V CA 2.593 64.674 62.300 -0.365 0.000 1.010 353 V CB -1.369 30.274 31.823 -0.300 0.000 0.637 353 V HN 0.252 nan 8.190 nan 0.000 0.444 354 Q N -0.377 119.109 119.800 -0.523 0.000 2.112 354 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 354 Q C 2.082 177.713 176.000 -0.615 0.000 0.987 354 Q CA 2.029 57.453 55.803 -0.632 0.000 0.858 354 Q CB -0.327 27.975 28.738 -0.727 0.000 0.905 354 Q HN 0.648 nan 8.270 nan 0.000 0.420 355 D N 0.451 120.610 120.400 -0.402 0.000 2.097 355 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 355 D C 1.984 178.103 176.300 -0.303 0.000 0.989 355 D CA 0.957 54.792 54.000 -0.276 0.000 0.827 355 D CB -0.244 40.490 40.800 -0.110 0.000 0.966 355 D HN 0.224 nan 8.370 nan 0.000 0.456 356 L N 0.609 121.584 121.223 -0.413 0.000 2.013 356 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 356 L C 2.285 179.029 176.870 -0.210 0.000 1.073 356 L CA 1.528 56.152 54.840 -0.359 0.000 0.753 356 L CB -0.571 41.174 42.059 -0.524 0.000 0.890 356 L HN 0.193 nan 8.230 nan 0.000 0.432 357 Q N -1.258 118.412 119.800 -0.217 0.000 2.280 357 Q HA 0.112 4.452 4.340 -0.000 0.000 0.201 357 Q C 0.679 176.597 176.000 -0.137 0.000 0.890 357 Q CA 0.478 56.203 55.803 -0.129 0.000 0.947 357 Q CB 0.555 29.252 28.738 -0.069 0.000 1.081 357 Q HN 0.234 nan 8.270 nan 0.000 0.502 358 S N -0.358 115.186 115.700 -0.260 0.000 3.225 358 S HA -0.225 4.245 4.470 -0.000 0.000 0.308 358 S C -0.368 173.998 174.600 -0.390 0.000 1.270 358 S CA 1.097 59.106 58.200 -0.318 0.000 1.011 358 S CB -1.376 61.784 63.200 -0.067 0.000 1.138 358 S HN 0.667 nan 8.310 nan 0.000 0.661 359 F N 1.281 120.889 119.950 -0.570 0.000 2.458 359 F HA 0.668 5.195 4.527 -0.000 0.000 0.336 359 F C -0.426 175.064 175.800 -0.517 0.000 1.114 359 F CA -1.515 56.281 58.000 -0.340 0.000 0.987 359 F CB 0.738 39.681 39.000 -0.094 0.000 1.130 359 F HN -0.030 nan 8.300 nan 0.000 0.458 360 F N 4.505 124.176 119.950 -0.465 0.000 2.443 360 F HA 0.391 4.918 4.527 -0.000 0.000 0.335 360 F C -0.710 174.948 175.800 -0.236 0.000 1.104 360 F CA -0.864 56.926 58.000 -0.351 0.000 1.013 360 F CB 0.787 39.624 39.000 -0.272 0.000 1.136 360 F HN 0.300 nan 8.300 nan 0.000 0.470 361 W N 1.572 122.832 121.300 -0.066 0.000 2.237 361 W HA 0.309 4.969 4.660 0.000 0.000 0.335 361 W C -0.190 176.290 176.519 -0.064 0.000 1.230 361 W CA -1.574 55.718 57.345 -0.088 0.000 1.253 361 W CB 0.116 29.526 29.460 -0.083 0.000 1.129 361 W HN 0.501 nan 8.180 nan 0.000 0.590 362 D N -0.066 120.435 120.400 0.169 0.000 2.312 362 D HA 0.209 4.849 4.640 -0.000 0.000 0.248 362 D C 1.159 177.509 176.300 0.083 0.000 1.086 362 D CA -0.676 53.371 54.000 0.078 0.000 0.948 362 D CB 0.910 41.731 40.800 0.034 0.000 1.162 362 D HN 0.098 nan 8.370 nan 0.000 0.446 363 L N 0.886 122.136 121.223 0.045 0.000 2.011 363 L HA -0.305 4.035 4.340 -0.000 0.000 0.225 363 L C 1.369 178.263 176.870 0.039 0.000 1.084 363 L CA 2.140 57.002 54.840 0.037 0.000 0.791 363 L CB -0.896 41.169 42.059 0.011 0.000 0.898 363 L HN 0.556 nan 8.230 nan 0.000 0.440 364 D N -1.196 119.217 120.400 0.022 0.000 2.133 364 D HA -0.271 4.369 4.640 -0.000 0.000 0.192 364 D C 2.014 178.314 176.300 0.000 0.000 1.001 364 D CA 1.944 55.949 54.000 0.008 0.000 0.844 364 D CB -0.090 40.708 40.800 -0.003 0.000 0.944 364 D HN 0.618 nan 8.370 nan 0.000 0.447 365 Q N 0.426 120.223 119.800 -0.006 0.000 2.061 365 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 365 Q C 2.600 178.584 176.000 -0.026 0.000 0.984 365 Q CA 1.096 56.858 55.803 -0.068 0.000 0.846 365 Q CB -0.121 28.551 28.738 -0.109 0.000 0.902 365 Q HN 0.181 nan 8.270 nan 0.000 0.421 366 V N 1.033 121.010 119.914 0.106 0.000 2.287 366 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 366 V C 2.226 178.395 176.094 0.126 0.000 1.053 366 V CA 2.040 64.427 62.300 0.144 0.000 1.027 366 V CB -0.648 31.290 31.823 0.191 0.000 0.646 366 V HN 0.310 nan 8.190 nan 0.000 0.447 367 R N 0.325 120.875 120.500 0.085 0.000 2.080 367 R HA -0.195 4.144 4.340 -0.000 0.000 0.236 367 R C 2.233 178.574 176.300 0.068 0.000 1.137 367 R CA 2.197 58.342 56.100 0.074 0.000 0.943 367 R CB -0.600 29.722 30.300 0.036 0.000 0.846 367 R HN 0.637 nan 8.270 nan 0.000 0.431 368 N N 0.297 119.010 118.700 0.023 0.000 2.069 368 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 368 N C 1.813 177.340 175.510 0.028 0.000 1.031 368 N CA 1.379 54.432 53.050 0.006 0.000 0.852 368 N CB -0.176 38.287 38.487 -0.040 0.000 1.018 368 N HN 0.247 nan 8.380 nan 0.000 0.423 369 A N 0.758 123.572 122.820 -0.010 0.000 1.902 369 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 369 A C 2.111 179.906 177.584 0.350 0.000 1.181 369 A CA 0.952 53.008 52.037 0.030 0.000 0.623 369 A CB -0.678 18.081 19.000 -0.402 0.000 0.818 369 A HN 0.262 nan 8.150 nan 0.000 0.443 370 L N 0.164 121.644 121.223 0.428 0.000 2.017 370 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 370 L C 2.177 179.183 176.870 0.227 0.000 1.073 370 L CA 2.421 57.520 54.840 0.433 0.000 0.745 370 L CB -0.694 41.567 42.059 0.337 0.000 0.894 370 L HN 0.507 nan 8.230 nan 0.000 0.432 371 E N -0.569 119.721 120.200 0.150 0.000 2.106 371 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 371 E C 2.111 178.766 176.600 0.092 0.000 0.984 371 E CA 1.081 57.536 56.400 0.091 0.000 0.806 371 E CB -0.113 29.619 29.700 0.054 0.000 0.750 371 E HN 0.487 nan 8.360 nan 0.000 0.458 372 K N 0.964 121.428 120.400 0.107 0.000 2.009 372 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 372 K C 2.138 178.810 176.600 0.120 0.000 1.049 372 K CA 1.556 57.901 56.287 0.097 0.000 0.929 372 K CB -0.031 32.524 32.500 0.091 0.000 0.714 372 K HN 0.057 nan 8.250 nan 0.000 0.440 373 M N -0.101 119.602 119.600 0.172 0.000 2.229 373 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 373 M C 2.259 178.634 176.300 0.126 0.000 1.063 373 M CA 0.972 56.369 55.300 0.163 0.000 1.114 373 M CB -0.134 32.596 32.600 0.218 0.000 1.387 373 M HN 0.222 nan 8.290 nan 0.000 0.420 374 M N 0.585 120.257 119.600 0.119 0.000 2.086 374 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 374 M C 1.982 178.352 176.300 0.117 0.000 1.067 374 M CA 1.863 57.224 55.300 0.102 0.000 1.116 374 M CB -0.971 31.673 32.600 0.073 0.000 1.348 374 M HN 0.189 nan 8.290 nan 0.000 0.407 375 K N -0.608 119.845 120.400 0.088 0.000 2.057 375 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 375 K C 2.050 178.738 176.600 0.147 0.000 1.049 375 K CA 1.376 57.719 56.287 0.092 0.000 0.931 375 K CB -0.547 31.984 32.500 0.052 0.000 0.714 375 K HN 0.468 nan 8.250 nan 0.000 0.440 376 G N 1.358 110.228 108.800 0.117 0.000 2.433 376 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 376 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 376 G C 1.664 176.629 174.900 0.108 0.000 1.186 376 G CA 1.054 46.217 45.100 0.104 0.000 0.779 376 G HN 0.361 nan 8.290 nan 0.000 0.543 377 A N 0.254 123.140 122.820 0.111 0.000 1.908 377 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 377 A C 2.201 179.845 177.584 0.100 0.000 1.181 377 A CA 1.686 53.776 52.037 0.088 0.000 0.627 377 A CB -0.627 18.421 19.000 0.081 0.000 0.818 377 A HN 0.394 nan 8.150 nan 0.000 0.445 378 F N 1.383 121.338 119.950 0.008 0.000 2.046 378 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 378 F C 2.264 178.066 175.800 0.004 0.000 1.123 378 F CA 2.309 60.310 58.000 0.003 0.000 1.199 378 F CB -0.214 38.791 39.000 0.008 0.000 0.972 378 F HN 0.232 nan 8.300 nan 0.000 0.474 379 N N 0.604 119.420 118.700 0.194 0.000 2.149 379 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 379 N C 1.411 176.917 175.510 -0.007 0.000 1.019 379 N CA 1.648 54.749 53.050 0.085 0.000 0.857 379 N CB -0.689 37.873 38.487 0.124 0.000 0.997 379 N HN 0.398 nan 8.380 nan 0.000 0.426 380 D N 0.531 120.933 120.400 0.003 0.000 2.117 380 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 380 D C 2.095 178.361 176.300 -0.056 0.000 0.987 380 D CA 0.537 54.529 54.000 -0.013 0.000 0.829 380 D CB -0.200 40.604 40.800 0.005 0.000 0.961 380 D HN 0.046 nan 8.370 nan 0.000 0.460 381 V N 1.096 120.944 119.914 -0.110 0.000 2.358 381 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 381 V C 2.562 178.545 176.094 -0.184 0.000 1.047 381 V CA 1.064 63.268 62.300 -0.161 0.000 1.035 381 V CB -0.316 31.374 31.823 -0.222 0.000 0.658 381 V HN 0.214 nan 8.190 nan 0.000 0.452 382 M N -0.381 119.070 119.600 -0.249 0.000 2.108 382 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 382 M C 2.262 178.511 176.300 -0.085 0.000 1.066 382 M CA 1.840 57.018 55.300 -0.203 0.000 1.107 382 M CB -0.751 31.717 32.600 -0.220 0.000 1.356 382 M HN 0.341 nan 8.290 nan 0.000 0.406 383 K N -0.211 120.158 120.400 -0.052 0.000 2.032 383 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 383 K C 1.903 178.515 176.600 0.019 0.000 1.048 383 K CA 1.397 57.679 56.287 -0.009 0.000 0.927 383 K CB -0.346 32.154 32.500 0.000 0.000 0.712 383 K HN 0.175 nan 8.250 nan 0.000 0.441 384 V N 1.894 121.816 119.914 0.014 0.000 2.343 384 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 384 V C 2.374 178.525 176.094 0.095 0.000 1.051 384 V CA 1.719 64.062 62.300 0.072 0.000 1.036 384 V CB -0.484 31.318 31.823 -0.035 0.000 0.654 384 V HN 0.351 nan 8.190 nan 0.000 0.451 385 K N 0.402 120.801 120.400 -0.002 0.000 2.020 385 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 385 K C 2.140 178.766 176.600 0.043 0.000 1.050 385 K CA 2.223 58.508 56.287 -0.004 0.000 0.929 385 K CB -0.190 32.272 32.500 -0.064 0.000 0.714 385 K HN 0.588 nan 8.250 nan 0.000 0.443 386 E N 0.316 120.532 120.200 0.025 0.000 2.110 386 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 386 E C 2.079 178.701 176.600 0.036 0.000 0.988 386 E CA 1.136 57.550 56.400 0.023 0.000 0.804 386 E CB -0.008 29.697 29.700 0.008 0.000 0.745 386 E HN 0.297 nan 8.360 nan 0.000 0.458 387 K N 0.218 120.657 120.400 0.065 0.000 2.097 387 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 387 K C 1.332 177.903 176.600 -0.049 0.000 1.049 387 K CA 1.339 57.637 56.287 0.019 0.000 0.933 387 K CB 0.018 32.554 32.500 0.060 0.000 0.717 387 K HN 0.177 nan 8.250 nan 0.000 0.442 388 Y N -0.461 119.821 120.300 -0.030 0.000 2.458 388 Y HA 0.118 4.668 4.550 -0.000 0.000 0.254 388 Y C 0.212 176.096 175.900 -0.026 0.000 1.120 388 Y CA 0.031 58.114 58.100 -0.028 0.000 1.282 388 Y CB 0.362 38.803 38.460 -0.031 0.000 1.109 388 Y HN 0.195 nan 8.280 nan 0.000 0.526 389 N N 0.561 119.328 118.700 0.111 0.000 2.708 389 N HA -0.159 4.581 4.740 -0.000 0.000 0.255 389 N C -1.017 174.527 175.510 0.056 0.000 1.046 389 N CA 0.676 53.758 53.050 0.055 0.000 0.715 389 N CB -0.958 37.544 38.487 0.026 0.000 0.895 389 N HN 0.197 nan 8.380 nan 0.000 0.545 390 V N -3.000 116.947 119.914 0.055 0.000 3.145 390 V HA 0.687 4.807 4.120 -0.000 0.000 0.311 390 V C 0.362 176.457 176.094 0.003 0.000 1.238 390 V CA -0.833 61.484 62.300 0.030 0.000 1.066 390 V CB 1.360 33.200 31.823 0.028 0.000 1.144 390 V HN 0.195 nan 8.190 nan 0.000 0.465 391 D N 0.041 120.439 120.400 -0.004 0.000 2.389 391 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 391 D C 1.046 177.323 176.300 -0.038 0.000 1.128 391 D CA 0.414 54.406 54.000 -0.013 0.000 0.884 391 D CB 1.186 41.985 40.800 -0.001 0.000 1.194 391 D HN 0.740 nan 8.370 nan 0.000 0.441 392 M N 3.786 123.352 119.600 -0.057 0.000 2.143 392 M HA -0.246 4.234 4.480 -0.000 0.000 0.258 392 M C 1.983 178.211 176.300 -0.119 0.000 1.071 392 M CA 1.586 56.825 55.300 -0.102 0.000 1.088 392 M CB 0.044 32.573 32.600 -0.118 0.000 1.360 392 M HN 0.507 nan 8.290 nan 0.000 0.404 393 R N -0.742 119.703 120.500 -0.090 0.000 2.070 393 R HA -0.145 4.195 4.340 -0.000 0.000 0.233 393 R C 1.785 178.031 176.300 -0.088 0.000 1.137 393 R CA 2.347 58.373 56.100 -0.123 0.000 0.945 393 R CB -0.551 29.722 30.300 -0.045 0.000 0.845 393 R HN 0.401 nan 8.270 nan 0.000 0.430 394 T N 0.813 115.376 114.554 0.015 0.000 2.720 394 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 394 T C 1.861 176.532 174.700 -0.048 0.000 1.037 394 T CA 1.335 63.472 62.100 0.062 0.000 1.144 394 T CB -0.345 68.528 68.868 0.010 0.000 0.864 394 T HN 0.458 nan 8.240 nan 0.000 0.444 395 A N 1.712 124.466 122.820 -0.110 0.000 1.883 395 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 395 A C 2.712 180.196 177.584 -0.166 0.000 1.186 395 A CA 1.986 53.922 52.037 -0.168 0.000 0.624 395 A CB -1.270 17.649 19.000 -0.135 0.000 0.822 395 A HN 0.526 nan 8.150 nan 0.000 0.444 396 A N -1.473 121.239 122.820 -0.180 0.000 1.908 396 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 396 A C 2.098 179.584 177.584 -0.164 0.000 1.181 396 A CA 1.775 53.690 52.037 -0.202 0.000 0.627 396 A CB -0.826 17.999 19.000 -0.291 0.000 0.818 396 A HN 0.581 nan 8.150 nan 0.000 0.445 397 Y N -0.180 120.059 120.300 -0.101 0.000 2.200 397 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 397 Y C 2.240 178.014 175.900 -0.210 0.000 1.137 397 Y CA 0.948 58.965 58.100 -0.138 0.000 1.163 397 Y CB -0.506 37.866 38.460 -0.147 0.000 0.988 397 Y HN 0.233 nan 8.280 nan 0.000 0.518 398 I N -0.967 119.549 120.570 -0.091 0.000 2.127 398 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 398 I C 2.358 178.394 176.117 -0.135 0.000 1.075 398 I CA 1.129 62.296 61.300 -0.222 0.000 1.334 398 I CB -0.525 37.186 38.000 -0.482 0.000 1.040 398 I HN 0.199 nan 8.210 nan 0.000 0.405 399 L N 1.333 122.494 121.223 -0.104 0.000 2.012 399 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 399 L C 2.567 179.467 176.870 0.050 0.000 1.073 399 L CA 2.300 57.121 54.840 -0.032 0.000 0.748 399 L CB -0.969 41.069 42.059 -0.035 0.000 0.891 399 L HN 0.214 nan 8.230 nan 0.000 0.431 400 A N -0.168 122.709 122.820 0.094 0.000 1.865 400 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 400 A C 2.295 180.087 177.584 0.346 0.000 1.191 400 A CA 2.332 54.525 52.037 0.259 0.000 0.623 400 A CB -1.021 18.216 19.000 0.394 0.000 0.826 400 A HN 0.539 nan 8.150 nan 0.000 0.444 401 I N -0.444 120.204 120.570 0.130 0.000 2.208 401 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 401 I C 2.260 178.491 176.117 0.188 0.000 1.097 401 I CA 1.916 63.273 61.300 0.094 0.000 1.363 401 I CB -0.478 37.413 38.000 -0.182 0.000 1.051 401 I HN 0.460 nan 8.210 nan 0.000 0.413 402 D N 0.776 121.238 120.400 0.104 0.000 2.087 402 D HA -0.198 4.442 4.640 -0.000 0.000 0.192 402 D C 2.395 178.794 176.300 0.166 0.000 0.993 402 D CA 1.511 55.575 54.000 0.106 0.000 0.828 402 D CB 0.073 40.903 40.800 0.050 0.000 0.968 402 D HN 0.095 nan 8.370 nan 0.000 0.448 403 R N -0.266 120.333 120.500 0.165 0.000 2.096 403 R HA -0.124 4.216 4.340 -0.000 0.000 0.240 403 R C 2.418 178.857 176.300 0.232 0.000 1.139 403 R CA 1.297 57.511 56.100 0.190 0.000 0.952 403 R CB -0.505 29.884 30.300 0.149 0.000 0.854 403 R HN 0.197 nan 8.270 nan 0.000 0.436 404 V N 0.829 120.898 119.914 0.258 0.000 2.427 404 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 404 V C 2.418 178.640 176.094 0.213 0.000 1.051 404 V CA 1.827 64.264 62.300 0.229 0.000 1.048 404 V CB -0.653 31.351 31.823 0.302 0.000 0.666 404 V HN 0.410 nan 8.190 nan 0.000 0.456 405 A N -0.690 122.280 122.820 0.251 0.000 1.902 405 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 405 A C 2.174 179.879 177.584 0.202 0.000 1.181 405 A CA 1.982 54.147 52.037 0.212 0.000 0.623 405 A CB -0.759 18.362 19.000 0.203 0.000 0.818 405 A HN 0.590 nan 8.150 nan 0.000 0.443 406 Y N 0.819 121.169 120.300 0.084 0.000 2.097 406 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 406 Y C 2.714 178.644 175.900 0.051 0.000 1.152 406 Y CA 1.268 59.405 58.100 0.061 0.000 1.136 406 Y CB -0.885 37.609 38.460 0.056 0.000 0.975 406 Y HN 0.313 nan 8.280 nan 0.000 0.498 407 A N -0.319 122.499 122.820 -0.003 0.000 1.883 407 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 407 A C 2.316 179.840 177.584 -0.101 0.000 1.186 407 A CA 3.150 55.118 52.037 -0.115 0.000 0.624 407 A CB -1.605 17.388 19.000 -0.011 0.000 0.822 407 A HN 0.624 nan 8.150 nan 0.000 0.444 408 T N -1.304 113.237 114.554 -0.022 0.000 2.746 408 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 408 T C 1.823 176.506 174.700 -0.029 0.000 1.039 408 T CA 1.601 63.692 62.100 -0.014 0.000 1.142 408 T CB -0.321 68.562 68.868 0.026 0.000 0.866 408 T HN 0.556 nan 8.240 nan 0.000 0.444 409 K N 0.832 121.218 120.400 -0.024 0.000 2.002 409 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 409 K C 2.663 179.214 176.600 -0.081 0.000 1.048 409 K CA 1.026 57.300 56.287 -0.022 0.000 0.930 409 K CB -0.102 32.417 32.500 0.031 0.000 0.714 409 K HN 0.113 nan 8.250 nan 0.000 0.438 410 K N 0.959 121.239 120.400 -0.200 0.000 2.103 410 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 410 K C 2.153 178.672 176.600 -0.134 0.000 1.048 410 K CA 1.281 57.431 56.287 -0.227 0.000 0.930 410 K CB -0.131 32.097 32.500 -0.454 0.000 0.716 410 K HN 0.165 nan 8.250 nan 0.000 0.444 411 R N -0.517 119.914 120.500 -0.114 0.000 2.057 411 R HA -0.014 4.326 4.340 -0.000 0.000 0.229 411 R C 0.943 177.216 176.300 -0.045 0.000 1.136 411 R CA 0.980 57.038 56.100 -0.070 0.000 0.952 411 R CB -0.094 30.170 30.300 -0.059 0.000 0.848 411 R HN 0.351 nan 8.270 nan 0.000 0.430 412 G N 0.000 108.779 108.800 -0.036 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 45.088 45.100 -0.020 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925