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 2qj1_1_A DATA FIRST_RESID 27 DATA SEQUENCE DVEELLIPKV WVPPEDPLAS PSRLAKFLRE NGYKVLQPRS LPENEEYETD DATA SEQUENCE QILPDLAWMR QIXGAVLKPT LSLPIGDQEY FPKYYPTHRP SKEKPNAYPP DATA SEQUENCE DIALLKQMIY LFLQVPEANE GLKDEVTLLT QNIRDKAYGS GTYMGQANRL DATA SEQUENCE VAMKEVATGR NPNKDPLKLG YTFESIAQLL DITLPVGPPG EDDKPWVPLT DATA SEQUENCE RVPSRMLVLT GXXXXXXXVE DYLPKINLKS SSGLPYVGRT KGETIGEMIA DATA SEQUENCE ISNQFLRELS TLLKQGAGTK GSNKKKLLSM LSDYWYLSCG LLFPKAERYD DATA SEQUENCE KSTWLTKTRN IWSAPSPTHL MISMITWPVM SNSPNNVLNI EGCPSLYKFN DATA SEQUENCE PFRGGLNRIV EWILAPEEPK ALVYADNIYI VHSNTWYSID LEKGEANCTR DATA SEQUENCE QHMQAAMYYI LTRGWSDNGD PMFNQTWATF AMNIAPALVV DSSCLIMNLQ DATA SEQUENCE IKTYGQGSGN AATFINNHLL STLVLDQWNL MRQPRPDSEE FKSIEDKLGI DATA SEQUENCE NFKIERSIDD IRGKLRQLVL LAQPGYLSGG VEPEQSSPTV ELDLLGWSAT DATA SEQUENCE YSKDLGIYVP VLDKERLFCS AAYPKGVENK SLKSKVGIEQ AYKVVRYEAL DATA SEQUENCE RLVGGWNYPL LNKACKNNAG AARRHLEAKG FPLDEFLAEW SELSEFGEAF DATA SEQUENCE EGFNIKLTVT SESLAELNKP VPPKPPNVNR PVNTGGLKAV SNALKTGRYR DATA SEQUENCE NEAGLSGLVL LATARSRLQD AVKAKAEAEK LHKSKPXXXX ADWFERSETL DATA SEQUENCE SDLLEKADIA SKVAHSALVE TSDALEAVQ 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.307 176.300 0.011 0.000 2.045 27 D CA 0.000 54.006 54.000 0.010 0.000 0.868 27 D CB 0.000 40.805 40.800 0.009 0.000 0.688 28 V N 0.673 120.594 119.914 0.012 0.000 2.439 28 V HA 0.264 4.384 4.120 -0.000 0.000 0.282 28 V C 0.428 176.530 176.094 0.014 0.000 1.039 28 V CA -0.546 61.763 62.300 0.014 0.000 0.913 28 V CB 1.021 32.854 31.823 0.016 0.000 0.983 28 V HN 0.543 nan 8.190 nan 0.000 0.460 29 E N 4.223 124.432 120.200 0.015 0.000 2.498 29 E HA 0.008 4.358 4.350 -0.000 0.000 0.252 29 E C -0.461 176.149 176.600 0.016 0.000 1.025 29 E CA 0.017 56.426 56.400 0.015 0.000 0.938 29 E CB 0.397 30.107 29.700 0.016 0.000 0.947 29 E HN 0.518 nan 8.360 nan 0.000 0.478 30 E N 4.451 124.659 120.200 0.014 0.000 2.158 30 E HA 0.358 4.708 4.350 -0.000 0.000 0.271 30 E C -0.634 175.974 176.600 0.013 0.000 0.911 30 E CA -0.683 55.725 56.400 0.013 0.000 0.767 30 E CB 1.532 31.238 29.700 0.010 0.000 1.120 30 E HN 0.539 nan 8.360 nan 0.000 0.405 31 L N 2.964 124.196 121.223 0.015 0.000 2.333 31 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 31 L C 1.223 178.101 176.870 0.012 0.000 1.010 31 L CA -0.561 54.289 54.840 0.015 0.000 0.818 31 L CB 1.866 43.937 42.059 0.020 0.000 1.306 31 L HN 0.440 nan 8.230 nan 0.000 0.430 32 L N 2.299 123.530 121.223 0.013 0.000 2.023 32 L HA 0.125 4.465 4.340 -0.000 0.000 0.205 32 L C 0.468 177.345 176.870 0.010 0.000 1.073 32 L CA 1.566 56.412 54.840 0.011 0.000 0.745 32 L CB 0.256 42.325 42.059 0.016 0.000 0.900 32 L HN 0.327 nan 8.230 nan 0.000 0.435 33 I N 1.837 122.416 120.570 0.015 0.000 2.307 33 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 33 I C -2.116 174.014 176.117 0.020 0.000 1.054 33 I CA -2.377 58.931 61.300 0.014 0.000 1.218 33 I CB -0.087 37.923 38.000 0.016 0.000 1.398 33 I HN 0.103 nan 8.210 nan 0.000 0.475 34 P HA 0.115 nan 4.420 nan 0.000 0.271 34 P C 0.198 177.529 177.300 0.051 0.000 1.216 34 P CA -0.361 62.760 63.100 0.035 0.000 0.776 34 P CB 0.872 32.593 31.700 0.036 0.000 0.881 35 K N 1.967 122.401 120.400 0.057 0.000 2.344 35 K HA 0.053 4.373 4.320 -0.000 0.000 0.260 35 K C -0.413 176.244 176.600 0.094 0.000 0.988 35 K CA -0.281 56.044 56.287 0.063 0.000 0.909 35 K CB 0.295 32.830 32.500 0.057 0.000 0.968 35 K HN 0.169 nan 8.250 nan 0.000 0.505 36 V N 3.274 123.238 119.914 0.083 0.000 2.617 36 V HA -0.127 3.993 4.120 -0.000 0.000 0.304 36 V C 0.139 176.324 176.094 0.152 0.000 1.040 36 V CA -0.024 62.340 62.300 0.107 0.000 1.149 36 V CB -0.225 31.632 31.823 0.056 0.000 0.914 36 V HN 0.703 nan 8.190 nan 0.000 0.487 37 W N 5.434 126.726 121.300 -0.014 0.000 2.287 37 W HA 0.489 5.149 4.660 -0.000 0.000 0.313 37 W C -0.368 176.100 176.519 -0.084 0.000 1.267 37 W CA -0.724 56.587 57.345 -0.056 0.000 1.201 37 W CB 0.828 30.235 29.460 -0.089 0.000 1.196 37 W HN 0.371 nan 8.180 nan 0.000 0.536 38 V N 10.105 129.669 119.914 -0.584 0.000 2.318 38 V HA 0.205 4.325 4.120 -0.000 0.000 0.271 38 V C -1.707 173.634 176.094 -1.255 0.000 1.030 38 V CA -1.913 59.979 62.300 -0.681 0.000 0.844 38 V CB 0.559 32.177 31.823 -0.342 0.000 1.015 38 V HN 0.451 nan 8.190 nan 0.000 0.460 39 P HA 0.142 nan 4.420 nan 0.000 0.266 39 P C -2.494 174.400 177.300 -0.675 0.000 1.193 39 P CA -0.679 61.457 63.100 -1.606 0.000 0.770 39 P CB -0.149 30.992 31.700 -0.932 0.000 0.836 40 P HA 0.083 nan 4.420 nan 0.000 0.270 40 P C -0.295 176.979 177.300 -0.043 0.000 1.223 40 P CA -0.101 62.946 63.100 -0.087 0.000 0.785 40 P CB 0.361 32.116 31.700 0.091 0.000 0.923 41 E N 1.026 121.202 120.200 -0.040 0.000 2.344 41 E HA -0.001 4.349 4.350 -0.000 0.000 0.270 41 E C -0.420 176.172 176.600 -0.014 0.000 1.021 41 E CA -0.319 56.062 56.400 -0.033 0.000 0.887 41 E CB 0.203 29.880 29.700 -0.039 0.000 0.997 41 E HN 0.309 nan 8.360 nan 0.000 0.429 42 D N 5.687 126.074 120.400 -0.022 0.000 2.344 42 D HA 0.083 4.723 4.640 -0.000 0.000 0.253 42 D C -1.866 174.399 176.300 -0.058 0.000 1.255 42 D CA -1.916 52.056 54.000 -0.046 0.000 0.894 42 D CB 1.264 42.016 40.800 -0.080 0.000 1.067 42 D HN 0.237 nan 8.370 nan 0.000 0.492 43 P HA 0.009 nan 4.420 nan 0.000 0.225 43 P C 0.330 177.574 177.300 -0.095 0.000 1.156 43 P CA 0.664 63.720 63.100 -0.073 0.000 0.787 43 P CB 0.216 31.872 31.700 -0.073 0.000 0.802 44 L N -0.909 120.238 121.223 -0.127 0.000 2.923 44 L HA 0.364 4.704 4.340 -0.000 0.000 0.231 44 L C 1.562 178.320 176.870 -0.186 0.000 1.300 44 L CA -0.458 54.289 54.840 -0.156 0.000 1.184 44 L CB -0.315 41.620 42.059 -0.206 0.000 1.511 44 L HN -0.077 nan 8.230 nan 0.000 0.448 45 A N 0.146 122.883 122.820 -0.138 0.000 1.969 45 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 45 A C 1.292 178.732 177.584 -0.240 0.000 1.169 45 A CA 1.319 53.278 52.037 -0.130 0.000 0.635 45 A CB -0.049 18.908 19.000 -0.071 0.000 0.810 45 A HN 0.546 nan 8.150 nan 0.000 0.445 46 S N -2.388 113.186 115.700 -0.209 0.000 2.600 46 S HA 0.568 5.038 4.470 -0.000 0.000 0.300 46 S C -2.127 172.380 174.600 -0.155 0.000 1.087 46 S CA -1.185 56.914 58.200 -0.168 0.000 0.965 46 S CB 1.982 65.119 63.200 -0.104 0.000 1.089 46 S HN 0.039 nan 8.310 nan 0.000 0.496 47 P HA -0.104 nan 4.420 nan 0.000 0.222 47 P C 1.517 178.793 177.300 -0.040 0.000 1.147 47 P CA 1.420 64.486 63.100 -0.056 0.000 0.790 47 P CB -0.277 31.433 31.700 0.016 0.000 0.780 48 S N -0.099 115.578 115.700 -0.038 0.000 2.402 48 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 48 S C 2.153 176.743 174.600 -0.016 0.000 1.021 48 S CA 0.630 58.816 58.200 -0.024 0.000 0.974 48 S CB -0.788 62.396 63.200 -0.026 0.000 0.800 48 S HN 0.109 nan 8.310 nan 0.000 0.484 49 R N 0.081 120.562 120.500 -0.031 0.000 2.100 49 R HA 0.292 4.632 4.340 -0.000 0.000 0.220 49 R C 2.351 178.659 176.300 0.014 0.000 1.091 49 R CA 0.824 56.916 56.100 -0.014 0.000 0.986 49 R CB -0.452 29.822 30.300 -0.044 0.000 0.888 49 R HN 0.394 nan 8.270 nan 0.000 0.444 50 L N 0.712 121.918 121.223 -0.028 0.000 2.083 50 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 50 L C 2.139 179.056 176.870 0.077 0.000 1.083 50 L CA 1.813 56.657 54.840 0.006 0.000 0.752 50 L CB -0.439 41.568 42.059 -0.086 0.000 0.899 50 L HN 0.109 nan 8.230 nan 0.000 0.433 51 A N -0.322 122.521 122.820 0.038 0.000 1.877 51 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 51 A C 2.467 180.089 177.584 0.062 0.000 1.186 51 A CA 2.079 54.143 52.037 0.045 0.000 0.620 51 A CB -0.685 18.327 19.000 0.020 0.000 0.822 51 A HN 0.514 nan 8.150 nan 0.000 0.443 52 K N -1.583 118.855 120.400 0.063 0.000 2.063 52 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 52 K C 1.824 178.478 176.600 0.089 0.000 1.048 52 K CA 1.741 58.066 56.287 0.063 0.000 0.928 52 K CB -0.349 32.185 32.500 0.057 0.000 0.713 52 K HN 0.408 nan 8.250 nan 0.000 0.442 53 F N 1.687 121.630 119.950 -0.012 0.000 2.102 53 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 53 F C 1.639 177.442 175.800 0.005 0.000 1.105 53 F CA 1.452 59.445 58.000 -0.011 0.000 1.239 53 F CB -0.196 38.787 39.000 -0.028 0.000 0.991 53 F HN -0.036 nan 8.300 nan 0.000 0.474 54 L N -0.035 121.186 121.223 -0.004 0.000 2.005 54 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 54 L C 2.658 179.516 176.870 -0.020 0.000 1.072 54 L CA 1.605 56.414 54.840 -0.051 0.000 0.744 54 L CB -0.869 41.231 42.059 0.068 0.000 0.895 54 L HN -0.000 nan 8.230 nan 0.000 0.433 55 R N 0.009 120.519 120.500 0.017 0.000 2.103 55 R HA -0.225 4.114 4.340 -0.000 0.000 0.242 55 R C 2.266 178.546 176.300 -0.033 0.000 1.142 55 R CA 1.687 57.796 56.100 0.015 0.000 0.960 55 R CB -0.388 29.924 30.300 0.021 0.000 0.858 55 R HN 0.420 nan 8.270 nan 0.000 0.439 56 E N 0.573 120.727 120.200 -0.077 0.000 2.110 56 E HA -0.140 4.209 4.350 -0.000 0.000 0.193 56 E C 1.176 177.685 176.600 -0.151 0.000 0.988 56 E CA 0.916 57.255 56.400 -0.102 0.000 0.804 56 E CB 0.058 29.697 29.700 -0.102 0.000 0.745 56 E HN 0.357 nan 8.360 nan 0.000 0.458 57 N N -0.453 118.095 118.700 -0.254 0.000 2.383 57 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 57 N C 0.395 175.845 175.510 -0.100 0.000 1.141 57 N CA 0.647 53.552 53.050 -0.241 0.000 0.851 57 N CB 0.882 39.102 38.487 -0.446 0.000 0.976 57 N HN 0.219 nan 8.380 nan 0.000 0.465 58 G N 1.477 110.248 108.800 -0.049 0.000 2.295 58 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 58 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 58 G C -0.477 174.446 174.900 0.037 0.000 1.055 58 G CA 0.076 45.171 45.100 -0.007 0.000 0.922 58 G HN 0.499 nan 8.290 nan 0.000 0.503 59 Y N -0.067 120.216 120.300 -0.027 0.000 2.342 59 Y HA 0.546 5.096 4.550 -0.000 0.000 0.334 59 Y C 0.713 176.688 175.900 0.126 0.000 1.067 59 Y CA -0.930 57.213 58.100 0.071 0.000 1.128 59 Y CB 1.006 39.499 38.460 0.056 0.000 1.200 59 Y HN 0.187 nan 8.280 nan 0.000 0.464 60 K N 4.500 124.979 120.400 0.131 0.000 2.349 60 K HA 0.397 4.717 4.320 -0.000 0.000 0.288 60 K C -1.597 175.143 176.600 0.233 0.000 1.058 60 K CA -0.339 56.025 56.287 0.128 0.000 0.953 60 K CB 0.356 32.858 32.500 0.002 0.000 0.997 60 K HN 0.503 nan 8.250 nan 0.000 0.477 61 V N 6.080 126.095 119.914 0.168 0.000 2.370 61 V HA 0.240 4.360 4.120 -0.000 0.000 0.279 61 V C -0.020 176.121 176.094 0.078 0.000 1.029 61 V CA -1.079 61.307 62.300 0.144 0.000 0.870 61 V CB 0.873 32.762 31.823 0.110 0.000 0.984 61 V HN 0.657 nan 8.190 nan 0.000 0.451 62 L N 3.307 124.573 121.223 0.072 0.000 2.453 62 L HA 0.286 4.626 4.340 -0.000 0.000 0.261 62 L C 0.663 177.536 176.870 0.005 0.000 1.179 62 L CA 0.564 55.422 54.840 0.030 0.000 0.813 62 L CB 0.332 42.410 42.059 0.032 0.000 1.110 62 L HN 0.715 nan 8.230 nan 0.000 0.466 63 Q N 4.155 123.943 119.800 -0.020 0.000 2.323 63 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 63 Q C -2.109 173.859 176.000 -0.053 0.000 1.022 63 Q CA -1.751 54.032 55.803 -0.033 0.000 0.919 63 Q CB 0.757 29.475 28.738 -0.033 0.000 1.220 63 Q HN 0.298 nan 8.270 nan 0.000 0.427 64 P HA -0.062 nan 4.420 nan 0.000 0.258 64 P C -0.886 176.453 177.300 0.066 0.000 1.187 64 P CA 0.386 63.502 63.100 0.026 0.000 0.767 64 P CB 0.384 32.063 31.700 -0.034 0.000 0.770 65 R N 1.924 122.240 120.500 -0.307 0.000 2.615 65 R HA 0.447 4.787 4.340 -0.000 0.000 0.270 65 R C 0.837 176.879 176.300 -0.430 0.000 1.081 65 R CA -0.181 55.499 56.100 -0.700 0.000 1.154 65 R CB 0.318 29.442 30.300 -1.960 0.000 1.063 65 R HN 0.512 nan 8.270 nan 0.000 0.519 66 S N 1.232 116.682 115.700 -0.416 0.000 2.568 66 S HA 0.715 5.185 4.470 -0.000 0.000 0.302 66 S C -1.029 173.584 174.600 0.022 0.000 1.082 66 S CA -1.005 56.927 58.200 -0.447 0.000 1.009 66 S CB 1.445 64.111 63.200 -0.890 0.000 1.069 66 S HN 0.422 nan 8.310 nan 0.000 0.500 67 L N 1.168 122.281 121.223 -0.184 0.000 2.385 67 L HA 0.713 5.053 4.340 -0.000 0.000 0.273 67 L C -2.924 173.538 176.870 -0.681 0.000 0.990 67 L CA -2.021 52.646 54.840 -0.288 0.000 0.821 67 L CB 1.713 43.542 42.059 -0.384 0.000 1.279 67 L HN 0.443 nan 8.230 nan 0.000 0.412 68 P HA 0.024 nan 4.420 nan 0.000 0.266 68 P C -0.781 176.295 177.300 -0.372 0.000 1.195 68 P CA 0.172 63.072 63.100 -0.332 0.000 0.768 68 P CB 0.397 31.984 31.700 -0.189 0.000 0.838 69 E N 2.040 122.149 120.200 -0.151 0.000 2.415 69 E HA 0.044 4.394 4.350 -0.000 0.000 0.262 69 E C 0.106 176.740 176.600 0.057 0.000 1.038 69 E CA -0.077 56.397 56.400 0.122 0.000 0.921 69 E CB 0.240 30.041 29.700 0.169 0.000 0.950 69 E HN 0.396 nan 8.360 nan 0.000 0.438 70 N N 2.716 121.479 118.700 0.106 0.000 2.514 70 N HA 0.128 4.868 4.740 -0.000 0.000 0.277 70 N C -0.546 175.010 175.510 0.077 0.000 1.126 70 N CA 0.192 53.276 53.050 0.056 0.000 0.978 70 N CB 1.013 39.539 38.487 0.065 0.000 1.106 70 N HN 0.451 nan 8.380 nan 0.000 0.461 71 E N 0.274 120.524 120.200 0.083 0.000 2.340 71 E HA 0.174 4.524 4.350 -0.000 0.000 0.273 71 E C -1.028 175.627 176.600 0.091 0.000 0.891 71 E CA -0.675 55.766 56.400 0.068 0.000 0.757 71 E CB 1.623 31.346 29.700 0.039 0.000 1.231 71 E HN 0.297 nan 8.360 nan 0.000 0.439 72 E N 1.916 122.149 120.200 0.055 0.000 2.417 72 E HA 0.022 4.372 4.350 -0.000 0.000 0.261 72 E C -1.170 175.467 176.600 0.063 0.000 1.000 72 E CA 0.679 57.116 56.400 0.062 0.000 0.919 72 E CB 0.492 30.207 29.700 0.025 0.000 0.955 72 E HN 0.324 nan 8.360 nan 0.000 0.455 73 Y N 0.325 120.641 120.300 0.027 0.000 2.457 73 Y HA 0.216 4.766 4.550 -0.000 0.000 0.343 73 Y C 0.243 176.153 175.900 0.017 0.000 0.994 73 Y CA -0.726 57.389 58.100 0.024 0.000 1.031 73 Y CB 1.196 39.674 38.460 0.030 0.000 1.246 73 Y HN 0.523 nan 8.280 nan 0.000 0.449 74 E N 1.238 121.673 120.200 0.392 0.000 2.415 74 E HA 0.191 4.541 4.350 -0.000 0.000 0.263 74 E C 0.646 177.339 176.600 0.156 0.000 0.995 74 E CA 0.557 57.085 56.400 0.214 0.000 0.915 74 E CB 0.225 30.028 29.700 0.171 0.000 0.951 74 E HN 0.760 nan 8.360 nan 0.000 0.449 75 T N 1.982 116.580 114.554 0.073 0.000 2.821 75 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 75 T C 0.512 175.215 174.700 0.005 0.000 1.046 75 T CA 1.283 63.393 62.100 0.017 0.000 1.139 75 T CB 0.001 68.867 68.868 -0.004 0.000 0.871 75 T HN 0.656 nan 8.240 nan 0.000 0.454 76 D N 1.115 121.533 120.400 0.029 0.000 2.826 76 D HA 0.165 4.805 4.640 -0.000 0.000 0.247 76 D C 1.232 177.554 176.300 0.036 0.000 1.238 76 D CA 0.348 54.366 54.000 0.031 0.000 0.894 76 D CB 0.087 40.913 40.800 0.044 0.000 1.100 76 D HN 0.421 nan 8.370 nan 0.000 0.453 77 Q N -0.853 118.952 119.800 0.009 0.000 2.360 77 Q HA 0.103 4.442 4.340 -0.000 0.000 0.178 77 Q C 1.273 177.216 176.000 -0.095 0.000 0.673 77 Q CA -0.074 55.723 55.803 -0.011 0.000 0.896 77 Q CB 0.188 28.958 28.738 0.053 0.000 1.234 77 Q HN 0.037 nan 8.270 nan 0.000 0.416 78 I N 1.097 121.559 120.570 -0.179 0.000 2.333 78 I HA 0.059 4.229 4.170 -0.000 0.000 0.246 78 I C 0.603 176.659 176.117 -0.100 0.000 1.106 78 I CA 1.047 62.228 61.300 -0.198 0.000 1.411 78 I CB -0.426 37.408 38.000 -0.277 0.000 1.082 78 I HN 0.202 nan 8.210 nan 0.000 0.420 79 L N 2.355 123.532 121.223 -0.075 0.000 2.506 79 L HA 0.260 4.600 4.340 -0.000 0.000 0.247 79 L C -1.727 175.122 176.870 -0.035 0.000 1.141 79 L CA -1.089 53.720 54.840 -0.052 0.000 0.973 79 L CB 0.909 42.932 42.059 -0.060 0.000 1.319 79 L HN -0.079 nan 8.230 nan 0.000 0.455 80 P HA -0.029 nan 4.420 nan 0.000 0.225 80 P C 0.669 177.997 177.300 0.046 0.000 1.156 80 P CA 0.680 63.792 63.100 0.019 0.000 0.787 80 P CB 0.401 32.118 31.700 0.028 0.000 0.802 81 D N -0.665 119.756 120.400 0.036 0.000 2.317 81 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 81 D C 0.897 177.182 176.300 -0.024 0.000 0.966 81 D CA 0.800 54.847 54.000 0.080 0.000 0.876 81 D CB -0.006 40.840 40.800 0.078 0.000 0.927 81 D HN 0.243 nan 8.370 nan 0.000 0.519 82 L N -0.110 121.027 121.223 -0.144 0.000 3.100 82 L HA 0.486 4.826 4.340 -0.000 0.000 0.259 82 L C 1.150 177.819 176.870 -0.334 0.000 1.316 82 L CA -0.346 54.288 54.840 -0.344 0.000 0.992 82 L CB 0.799 42.714 42.059 -0.239 0.000 1.390 82 L HN -0.168 nan 8.230 nan 0.000 0.550 83 A N 0.745 123.402 122.820 -0.272 0.000 1.963 83 A HA 0.001 4.321 4.320 -0.000 0.000 0.207 83 A C 1.818 179.352 177.584 -0.084 0.000 1.243 83 A CA 0.045 52.012 52.037 -0.116 0.000 0.728 83 A CB -0.258 18.751 19.000 0.015 0.000 0.895 83 A HN 0.718 nan 8.150 nan 0.000 0.467 84 W N -1.255 120.048 121.300 0.005 0.000 2.699 84 W HA 0.099 4.759 4.660 -0.000 0.000 0.249 84 W C 1.192 177.712 176.519 0.002 0.000 1.280 84 W CA 0.615 57.963 57.345 0.004 0.000 1.345 84 W CB -0.645 28.818 29.460 0.005 0.000 1.128 84 W HN 0.256 nan 8.180 nan 0.000 0.642 85 M N 1.690 120.908 119.600 -0.636 0.000 2.628 85 M HA 0.045 4.525 4.480 -0.000 0.000 0.232 85 M C 2.514 178.679 176.300 -0.225 0.000 1.128 85 M CA 1.076 56.018 55.300 -0.596 0.000 1.040 85 M CB -0.125 31.948 32.600 -0.878 0.000 1.608 85 M HN 0.129 nan 8.290 nan 0.000 0.507 86 R N -0.634 119.796 120.500 -0.117 0.000 2.121 86 R HA 0.182 4.522 4.340 -0.000 0.000 0.206 86 R C 1.732 178.036 176.300 0.006 0.000 1.094 86 R CA 1.094 57.163 56.100 -0.052 0.000 1.055 86 R CB -1.365 28.909 30.300 -0.043 0.000 0.964 86 R HN 0.525 nan 8.270 nan 0.000 0.473 87 Q N 0.043 119.873 119.800 0.050 0.000 2.482 87 Q HA 0.666 5.006 4.340 -0.000 0.000 0.209 87 Q C 1.004 177.059 176.000 0.092 0.000 0.961 87 Q CA 1.229 57.075 55.803 0.071 0.000 0.945 87 Q CB -0.898 27.891 28.738 0.086 0.000 1.012 87 Q HN 1.298 nan 8.270 nan 0.000 0.515 91 A N -1.040 121.736 122.820 -0.073 0.000 2.701 91 A HA 0.623 4.943 4.320 -0.000 0.000 0.241 91 A C 0.724 178.256 177.584 -0.088 0.000 1.231 91 A CA 0.915 52.897 52.037 -0.093 0.000 1.003 91 A CB 0.114 19.053 19.000 -0.100 0.000 1.281 91 A HN 1.907 nan 8.150 nan 0.000 0.600 92 V N 1.681 121.554 119.914 -0.068 0.000 2.539 92 V HA 0.368 4.488 4.120 -0.000 0.000 0.294 92 V C 0.451 176.503 176.094 -0.071 0.000 0.994 92 V CA 1.054 63.319 62.300 -0.059 0.000 1.169 92 V CB -0.167 31.627 31.823 -0.047 0.000 0.898 92 V HN 0.813 nan 8.190 nan 0.000 0.471 93 L N 5.723 126.903 121.223 -0.072 0.000 2.421 93 L HA 1.103 5.443 4.340 -0.000 0.000 0.267 93 L C 0.349 177.185 176.870 -0.056 0.000 1.036 93 L CA -0.488 54.305 54.840 -0.078 0.000 0.829 93 L CB 0.927 42.932 42.059 -0.089 0.000 1.437 93 L HN 1.051 nan 8.230 nan 0.000 0.488 94 K N 0.713 121.084 120.400 -0.049 0.000 2.637 94 K HA 0.642 4.962 4.320 -0.000 0.000 0.248 94 K C -1.738 174.853 176.600 -0.016 0.000 0.971 94 K CA -0.598 55.670 56.287 -0.031 0.000 0.858 94 K CB 0.720 33.199 32.500 -0.036 0.000 1.170 94 K HN 0.733 nan 8.250 nan 0.000 0.443 95 P HA -0.251 nan 4.420 nan 0.000 0.221 95 P C 0.459 177.772 177.300 0.021 0.000 1.153 95 P CA 2.379 65.484 63.100 0.007 0.000 0.858 95 P CB -0.095 31.611 31.700 0.010 0.000 0.783 96 T N -3.507 111.060 114.554 0.022 0.000 2.991 96 T HA 0.639 4.989 4.350 -0.000 0.000 0.303 96 T C -0.159 174.566 174.700 0.041 0.000 1.015 96 T CA -0.997 61.131 62.100 0.047 0.000 1.007 96 T CB 1.405 70.303 68.868 0.050 0.000 1.034 96 T HN -0.153 nan 8.240 nan 0.000 0.446 97 L N 1.610 122.872 121.223 0.064 0.000 2.448 97 L HA 0.769 5.108 4.340 -0.000 0.000 0.258 97 L C 0.586 177.515 176.870 0.098 0.000 1.104 97 L CA -1.031 53.839 54.840 0.051 0.000 0.800 97 L CB 1.462 43.542 42.059 0.035 0.000 1.241 97 L HN 0.780 nan 8.230 nan 0.000 0.472 98 S N 0.885 116.647 115.700 0.104 0.000 2.707 98 S HA 0.673 5.143 4.470 -0.000 0.000 0.303 98 S C -1.018 173.744 174.600 0.270 0.000 1.132 98 S CA -0.579 57.725 58.200 0.174 0.000 1.046 98 S CB 0.443 63.746 63.200 0.172 0.000 1.004 98 S HN 0.397 nan 8.310 nan 0.000 0.483 99 L N 5.715 127.069 121.223 0.218 0.000 2.362 99 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 99 L C -2.176 174.740 176.870 0.076 0.000 1.002 99 L CA -2.429 52.523 54.840 0.187 0.000 0.818 99 L CB 2.434 44.595 42.059 0.170 0.000 1.298 99 L HN 0.446 nan 8.230 nan 0.000 0.420 100 P HA 0.122 nan 4.420 nan 0.000 0.244 100 P C 0.148 177.399 177.300 -0.082 0.000 1.769 100 P CA 0.303 63.304 63.100 -0.166 0.000 1.102 100 P CB -0.324 31.127 31.700 -0.414 0.000 1.937 101 I N -1.990 118.569 120.570 -0.019 0.000 4.219 101 I HA 0.405 4.575 4.170 -0.000 0.000 0.329 101 I C 0.700 176.819 176.117 0.003 0.000 1.427 101 I CA -0.661 60.644 61.300 0.009 0.000 1.151 101 I CB 0.505 38.554 38.000 0.082 0.000 1.369 101 I HN -0.050 nan 8.210 nan 0.000 0.521 102 G N 0.885 109.676 108.800 -0.015 0.000 2.732 102 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.244 102 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.244 102 G C 0.031 174.919 174.900 -0.019 0.000 1.226 102 G CA 0.349 45.444 45.100 -0.008 0.000 0.860 102 G HN 0.218 nan 8.290 nan 0.000 0.583 103 D N -0.717 119.677 120.400 -0.010 0.000 2.120 103 D HA 0.004 4.644 4.640 -0.000 0.000 0.202 103 D C 1.513 177.803 176.300 -0.017 0.000 0.972 103 D CA 0.880 54.873 54.000 -0.012 0.000 0.837 103 D CB 0.114 40.910 40.800 -0.006 0.000 0.989 103 D HN 0.472 nan 8.370 nan 0.000 0.469 104 Q N 0.405 120.201 119.800 -0.007 0.000 2.312 104 Q HA 0.325 4.664 4.340 -0.000 0.000 0.236 104 Q C -0.287 175.695 176.000 -0.030 0.000 0.965 104 Q CA 0.007 55.808 55.803 -0.004 0.000 0.894 104 Q CB 1.515 30.268 28.738 0.025 0.000 1.225 104 Q HN 0.134 nan 8.270 nan 0.000 0.478 105 E N 0.489 120.657 120.200 -0.054 0.000 2.281 105 E HA 0.435 4.784 4.350 -0.000 0.000 0.262 105 E C -1.462 175.085 176.600 -0.088 0.000 0.933 105 E CA -0.637 55.669 56.400 -0.157 0.000 0.809 105 E CB 1.679 31.250 29.700 -0.215 0.000 1.242 105 E HN 0.479 nan 8.360 nan 0.000 0.418 106 Y N -1.602 118.609 120.300 -0.147 0.000 2.638 106 Y HA 0.643 5.192 4.550 -0.000 0.000 0.339 106 Y C -1.319 174.439 175.900 -0.236 0.000 1.084 106 Y CA -1.390 56.643 58.100 -0.111 0.000 1.068 106 Y CB 0.891 39.347 38.460 -0.006 0.000 1.294 106 Y HN 0.265 nan 8.280 nan 0.000 0.480 107 F N 2.271 122.447 119.950 0.375 0.000 2.415 107 F HA 0.597 5.124 4.527 -0.000 0.000 0.348 107 F C -2.307 173.735 175.800 0.404 0.000 1.119 107 F CA -2.319 55.870 58.000 0.315 0.000 1.069 107 F CB 1.401 40.504 39.000 0.172 0.000 1.124 107 F HN 0.248 nan 8.300 nan 0.000 0.472 108 P HA 0.333 nan 4.420 nan 0.000 0.278 108 P C -1.384 176.061 177.300 0.242 0.000 1.238 108 P CA -0.758 62.577 63.100 0.392 0.000 0.794 108 P CB 0.931 32.850 31.700 0.365 0.000 0.955 109 K N 1.375 121.865 120.400 0.150 0.000 2.318 109 K HA 0.575 4.895 4.320 -0.000 0.000 0.249 109 K C -1.397 175.266 176.600 0.105 0.000 0.942 109 K CA -0.643 55.703 56.287 0.099 0.000 0.808 109 K CB 1.742 34.365 32.500 0.206 0.000 1.189 109 K HN 0.405 nan 8.250 nan 0.000 0.428 110 Y N 1.966 122.127 120.300 -0.232 0.000 2.315 110 Y HA 0.331 4.881 4.550 -0.000 0.000 0.324 110 Y C -1.996 173.725 175.900 -0.299 0.000 1.062 110 Y CA -0.945 57.062 58.100 -0.156 0.000 1.159 110 Y CB 0.911 39.318 38.460 -0.088 0.000 1.145 110 Y HN 0.583 nan 8.280 nan 0.000 0.442 111 Y N 7.528 127.631 120.300 -0.328 0.000 2.919 111 Y HA 0.420 4.970 4.550 -0.000 0.000 0.341 111 Y C -2.124 173.520 175.900 -0.427 0.000 1.045 111 Y CA -2.488 55.462 58.100 -0.250 0.000 1.218 111 Y CB 0.552 38.983 38.460 -0.049 0.000 1.137 111 Y HN 0.466 nan 8.280 nan 0.000 0.577 112 P HA 0.089 nan 4.420 nan 0.000 0.271 112 P C -0.271 176.784 177.300 -0.407 0.000 1.216 112 P CA -0.162 62.542 63.100 -0.660 0.000 0.776 112 P CB 1.134 32.335 31.700 -0.832 0.000 0.881 113 T N 2.580 116.937 114.554 -0.328 0.000 2.832 113 T HA 0.160 4.510 4.350 -0.000 0.000 0.296 113 T C -0.129 174.378 174.700 -0.322 0.000 0.968 113 T CA -0.035 61.955 62.100 -0.182 0.000 1.107 113 T CB -0.232 68.583 68.868 -0.089 0.000 0.916 113 T HN 0.341 nan 8.240 nan 0.000 0.517 114 H N 2.374 121.354 119.070 -0.151 0.000 2.690 114 H HA 0.367 4.923 4.556 -0.000 0.000 0.280 114 H C 0.249 175.589 175.328 0.019 0.000 1.138 114 H CA -0.419 55.554 56.048 -0.124 0.000 1.241 114 H CB 0.318 29.963 29.762 -0.194 0.000 1.394 114 H HN 0.281 nan 8.280 nan 0.000 0.489 115 R N 4.501 125.095 120.500 0.158 0.000 2.265 115 R HA 0.290 4.630 4.340 -0.000 0.000 0.319 115 R C -2.539 174.026 176.300 0.442 0.000 1.006 115 R CA -1.747 54.483 56.100 0.217 0.000 0.880 115 R CB 1.233 31.621 30.300 0.146 0.000 1.077 115 R HN 0.434 nan 8.270 nan 0.000 0.454 116 P HA 0.314 nan 4.420 nan 0.000 0.304 116 P C -0.899 176.510 177.300 0.183 0.000 1.310 116 P CA -0.563 62.642 63.100 0.175 0.000 0.796 116 P CB 1.491 33.248 31.700 0.095 0.000 1.297 117 S N -1.742 113.982 115.700 0.039 0.000 2.840 117 S HA 0.387 4.857 4.470 -0.000 0.000 0.307 117 S C 1.109 175.639 174.600 -0.117 0.000 1.180 117 S CA -0.577 57.622 58.200 -0.001 0.000 0.846 117 S CB 0.937 64.151 63.200 0.024 0.000 1.233 117 S HN 0.421 nan 8.310 nan 0.000 0.548 118 K N 0.626 120.952 120.400 -0.123 0.000 2.032 118 K HA -0.039 4.281 4.320 -0.000 0.000 0.209 118 K C 1.668 178.205 176.600 -0.105 0.000 1.048 118 K CA 1.739 57.939 56.287 -0.146 0.000 0.927 118 K CB -0.438 31.992 32.500 -0.116 0.000 0.712 118 K HN 0.645 nan 8.250 nan 0.000 0.441 119 E N 0.601 120.759 120.200 -0.071 0.000 2.418 119 E HA -0.044 4.306 4.350 -0.000 0.000 0.197 119 E C -0.195 176.373 176.600 -0.053 0.000 1.026 119 E CA 0.550 56.917 56.400 -0.055 0.000 0.862 119 E CB 0.370 30.046 29.700 -0.041 0.000 0.799 119 E HN 0.099 nan 8.360 nan 0.000 0.518 120 K N -0.445 119.920 120.400 -0.058 0.000 3.098 120 K HA 0.120 4.439 4.320 -0.000 0.000 0.204 120 K C -2.428 174.135 176.600 -0.062 0.000 1.210 120 K CA -0.675 55.580 56.287 -0.054 0.000 0.899 120 K CB 1.305 33.779 32.500 -0.044 0.000 1.176 120 K HN -0.105 nan 8.250 nan 0.000 0.585 121 P HA 0.075 nan 4.420 nan 0.000 0.255 121 P C -0.190 177.093 177.300 -0.027 0.000 1.248 121 P CA 0.257 63.309 63.100 -0.081 0.000 0.807 121 P CB 0.440 32.067 31.700 -0.123 0.000 1.150 122 N N 0.050 118.731 118.700 -0.033 0.000 2.268 122 N HA 0.141 4.881 4.740 -0.000 0.000 0.204 122 N C 1.468 176.947 175.510 -0.052 0.000 1.124 122 N CA 0.149 53.191 53.050 -0.013 0.000 0.838 122 N CB -0.036 38.440 38.487 -0.018 0.000 0.994 122 N HN 0.069 nan 8.380 nan 0.000 0.489 123 A N 0.287 123.031 122.820 -0.127 0.000 1.877 123 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 123 A C -0.015 177.262 177.584 -0.512 0.000 1.186 123 A CA 1.274 53.072 52.037 -0.398 0.000 0.620 123 A CB -0.317 18.342 19.000 -0.569 0.000 0.822 123 A HN 0.287 nan 8.150 nan 0.000 0.443 124 Y N 0.138 120.557 120.300 0.199 0.000 2.681 124 Y HA 0.397 4.947 4.550 -0.000 0.000 0.347 124 Y C -2.574 173.488 175.900 0.271 0.000 1.029 124 Y CA -3.234 55.015 58.100 0.249 0.000 1.279 124 Y CB 0.519 39.243 38.460 0.439 0.000 1.096 124 Y HN 0.150 nan 8.280 nan 0.000 0.580 125 P HA 0.200 nan 4.420 nan 0.000 0.274 125 P C -2.575 174.856 177.300 0.219 0.000 1.231 125 P CA -1.424 61.819 63.100 0.238 0.000 0.790 125 P CB 1.010 32.782 31.700 0.119 0.000 0.951 126 P HA 0.064 nan 4.420 nan 0.000 0.272 126 P C -0.251 176.964 177.300 -0.142 0.000 1.240 126 P CA 0.019 62.944 63.100 -0.291 0.000 0.791 126 P CB 0.477 31.900 31.700 -0.462 0.000 0.978 127 D N 1.745 122.042 120.400 -0.171 0.000 2.551 127 D HA 0.066 4.705 4.640 -0.000 0.000 0.223 127 D C 1.344 177.624 176.300 -0.032 0.000 1.144 127 D CA -0.264 53.707 54.000 -0.049 0.000 1.025 127 D CB -0.297 40.503 40.800 0.000 0.000 1.085 127 D HN 0.044 nan 8.370 nan 0.000 0.506 128 I N 1.730 122.285 120.570 -0.025 0.000 2.226 128 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 128 I C 2.312 178.431 176.117 0.003 0.000 1.100 128 I CA 0.747 62.038 61.300 -0.014 0.000 1.374 128 I CB -1.171 36.827 38.000 -0.005 0.000 1.057 128 I HN 0.287 nan 8.210 nan 0.000 0.413 129 A N 0.591 123.421 122.820 0.016 0.000 1.940 129 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 129 A C 2.362 179.946 177.584 -0.000 0.000 1.176 129 A CA 1.668 53.711 52.037 0.010 0.000 0.631 129 A CB -0.916 18.101 19.000 0.029 0.000 0.814 129 A HN 0.401 nan 8.150 nan 0.000 0.446 130 L N -0.963 120.284 121.223 0.040 0.000 2.056 130 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 130 L C 2.258 179.136 176.870 0.013 0.000 1.078 130 L CA 1.878 56.732 54.840 0.022 0.000 0.749 130 L CB -0.446 41.683 42.059 0.116 0.000 0.901 130 L HN 0.385 nan 8.230 nan 0.000 0.433 131 L N -0.192 121.041 121.223 0.016 0.000 1.976 131 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 131 L C 2.466 179.357 176.870 0.034 0.000 1.071 131 L CA 1.940 56.792 54.840 0.021 0.000 0.746 131 L CB -0.837 41.224 42.059 0.003 0.000 0.890 131 L HN 0.214 nan 8.230 nan 0.000 0.432 132 K N -0.854 119.562 120.400 0.027 0.000 2.059 132 K HA -0.299 4.021 4.320 -0.000 0.000 0.212 132 K C 2.204 178.848 176.600 0.073 0.000 1.050 132 K CA 1.983 58.297 56.287 0.045 0.000 0.927 132 K CB -0.314 32.199 32.500 0.022 0.000 0.714 132 K HN 0.367 nan 8.250 nan 0.000 0.447 133 Q N 0.829 120.647 119.800 0.030 0.000 2.084 133 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 133 Q C 1.945 178.022 176.000 0.128 0.000 0.978 133 Q CA 1.674 57.498 55.803 0.034 0.000 0.844 133 Q CB -0.045 28.655 28.738 -0.063 0.000 0.898 133 Q HN 0.276 nan 8.270 nan 0.000 0.426 134 M N -0.771 118.886 119.600 0.096 0.000 2.086 134 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 134 M C 2.007 178.409 176.300 0.170 0.000 1.067 134 M CA 1.399 56.773 55.300 0.125 0.000 1.116 134 M CB -0.266 32.392 32.600 0.096 0.000 1.348 134 M HN 0.256 nan 8.290 nan 0.000 0.407 135 I N -1.031 119.625 120.570 0.143 0.000 2.208 135 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 135 I C 2.457 178.710 176.117 0.227 0.000 1.097 135 I CA 1.628 63.024 61.300 0.161 0.000 1.363 135 I CB -0.545 37.519 38.000 0.107 0.000 1.051 135 I HN 0.283 nan 8.210 nan 0.000 0.413 136 Y N 1.522 121.874 120.300 0.086 0.000 2.145 136 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 136 Y C 2.328 178.270 175.900 0.070 0.000 1.145 136 Y CA 1.679 59.818 58.100 0.065 0.000 1.148 136 Y CB -0.231 38.247 38.460 0.030 0.000 0.981 136 Y HN -0.007 nan 8.280 nan 0.000 0.507 137 L N -0.934 120.438 121.223 0.249 0.000 2.201 137 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 137 L C 2.266 179.171 176.870 0.059 0.000 1.105 137 L CA 1.215 56.136 54.840 0.135 0.000 0.775 137 L CB -0.597 41.578 42.059 0.194 0.000 0.913 137 L HN 0.340 nan 8.230 nan 0.000 0.440 138 F N 0.420 120.364 119.950 -0.011 0.000 2.186 138 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 138 F C 2.040 177.802 175.800 -0.063 0.000 1.090 138 F CA 1.366 59.354 58.000 -0.021 0.000 1.307 138 F CB -0.057 38.946 39.000 0.005 0.000 1.019 138 F HN -0.117 nan 8.300 nan 0.000 0.489 139 L N -0.019 121.131 121.223 -0.122 0.000 2.291 139 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 139 L C 2.204 178.886 176.870 -0.313 0.000 1.120 139 L CA 0.556 55.255 54.840 -0.236 0.000 0.799 139 L CB -0.624 41.367 42.059 -0.113 0.000 0.925 139 L HN 0.171 nan 8.230 nan 0.000 0.446 140 Q N -0.176 119.425 119.800 -0.331 0.000 2.378 140 Q HA 0.055 4.395 4.340 -0.000 0.000 0.205 140 Q C 0.642 176.509 176.000 -0.222 0.000 0.954 140 Q CA 0.345 55.977 55.803 -0.286 0.000 0.901 140 Q CB -0.143 28.415 28.738 -0.300 0.000 0.981 140 Q HN 0.264 nan 8.270 nan 0.000 0.483 141 V N 4.498 124.253 119.914 -0.265 0.000 2.450 141 V HA -0.047 4.073 4.120 -0.000 0.000 0.281 141 V C -1.057 174.892 176.094 -0.241 0.000 1.019 141 V CA -0.579 61.577 62.300 -0.239 0.000 1.062 141 V CB 0.320 31.971 31.823 -0.287 0.000 0.979 141 V HN 0.151 nan 8.190 nan 0.000 0.477 142 P HA -0.205 nan 4.420 nan 0.000 0.216 142 P C 0.390 177.608 177.300 -0.137 0.000 1.167 142 P CA 1.383 64.406 63.100 -0.127 0.000 0.933 142 P CB 0.490 32.137 31.700 -0.089 0.000 0.793 143 E N -3.013 117.107 120.200 -0.133 0.000 2.356 143 E HA 0.474 4.824 4.350 -0.000 0.000 0.275 143 E C -0.222 176.309 176.600 -0.116 0.000 0.904 143 E CA -0.218 56.112 56.400 -0.117 0.000 0.757 143 E CB 2.072 31.731 29.700 -0.068 0.000 1.232 143 E HN 0.170 nan 8.360 nan 0.000 0.442 144 A N 3.533 126.298 122.820 -0.092 0.000 5.483 144 A HA -0.365 3.955 4.320 -0.000 0.000 0.309 144 A C 0.178 177.786 177.584 0.041 0.000 1.898 144 A CA 1.448 53.481 52.037 -0.007 0.000 0.716 144 A CB -1.610 17.396 19.000 0.010 0.000 1.309 144 A HN 1.220 nan 8.150 nan 0.000 0.380 145 N N -2.208 116.536 118.700 0.074 0.000 2.371 145 N HA -0.125 4.615 4.740 -0.000 0.000 0.286 145 N C 0.216 175.846 175.510 0.200 0.000 1.438 145 N CA 0.865 53.981 53.050 0.111 0.000 0.640 145 N CB -0.094 38.444 38.487 0.084 0.000 0.914 145 N HN 0.614 nan 8.380 nan 0.000 0.495 146 E N 1.421 121.694 120.200 0.120 0.000 2.208 146 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 146 E C 2.045 178.680 176.600 0.058 0.000 0.988 146 E CA 1.244 57.694 56.400 0.084 0.000 0.828 146 E CB -0.307 29.417 29.700 0.040 0.000 0.763 146 E HN 0.735 nan 8.360 nan 0.000 0.478 147 G N 1.009 109.849 108.800 0.066 0.000 2.448 147 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 147 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 147 G C 1.693 176.643 174.900 0.083 0.000 1.127 147 G CA 0.404 45.537 45.100 0.055 0.000 0.766 147 G HN 0.174 nan 8.290 nan 0.000 0.552 148 L N -0.345 120.964 121.223 0.143 0.000 2.068 148 L HA 0.084 4.424 4.340 -0.000 0.000 0.204 148 L C 2.800 179.722 176.870 0.086 0.000 1.076 148 L CA 1.004 55.967 54.840 0.205 0.000 0.753 148 L CB -0.317 41.958 42.059 0.360 0.000 0.910 148 L HN 0.092 nan 8.230 nan 0.000 0.439 149 K N 0.076 120.445 120.400 -0.050 0.000 2.103 149 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 149 K C 1.641 178.092 176.600 -0.248 0.000 1.048 149 K CA 1.613 57.603 56.287 -0.495 0.000 0.930 149 K CB -0.094 32.108 32.500 -0.497 0.000 0.716 149 K HN 0.220 nan 8.250 nan 0.000 0.444 150 D N 0.984 121.314 120.400 -0.118 0.000 2.221 150 D HA -0.151 4.489 4.640 -0.000 0.000 0.204 150 D C 1.594 177.806 176.300 -0.146 0.000 0.982 150 D CA 1.043 54.976 54.000 -0.112 0.000 0.857 150 D CB 0.128 40.884 40.800 -0.073 0.000 0.934 150 D HN 0.385 nan 8.370 nan 0.000 0.475 151 E N -0.170 119.984 120.200 -0.077 0.000 2.047 151 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 151 E C 2.339 178.945 176.600 0.009 0.000 0.987 151 E CA 0.540 56.932 56.400 -0.013 0.000 0.799 151 E CB 0.062 29.888 29.700 0.210 0.000 0.752 151 E HN 0.102 nan 8.360 nan 0.000 0.449 152 V N 1.587 121.473 119.914 -0.046 0.000 2.287 152 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 152 V C 2.381 178.426 176.094 -0.081 0.000 1.053 152 V CA 2.284 64.544 62.300 -0.067 0.000 1.027 152 V CB -0.770 30.947 31.823 -0.176 0.000 0.646 152 V HN 0.355 nan 8.190 nan 0.000 0.447 153 T N 0.386 114.864 114.554 -0.128 0.000 2.652 153 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 153 T C 1.855 176.497 174.700 -0.097 0.000 1.039 153 T CA 2.048 64.082 62.100 -0.110 0.000 1.153 153 T CB -0.422 68.376 68.868 -0.118 0.000 0.863 153 T HN 0.293 nan 8.240 nan 0.000 0.428 154 L N 1.072 122.205 121.223 -0.150 0.000 1.970 154 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 154 L C 2.288 179.121 176.870 -0.061 0.000 1.071 154 L CA 1.588 56.316 54.840 -0.186 0.000 0.751 154 L CB -1.052 40.729 42.059 -0.464 0.000 0.889 154 L HN 0.207 nan 8.230 nan 0.000 0.432 155 L N -0.987 120.261 121.223 0.042 0.000 2.081 155 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 155 L C 2.286 179.184 176.870 0.046 0.000 1.080 155 L CA 2.511 57.444 54.840 0.155 0.000 0.754 155 L CB -1.019 41.169 42.059 0.214 0.000 0.893 155 L HN 0.397 nan 8.230 nan 0.000 0.433 156 T N -1.234 113.324 114.554 0.007 0.000 2.668 156 T HA -0.236 4.113 4.350 -0.000 0.000 0.262 156 T C 1.766 176.463 174.700 -0.006 0.000 1.045 156 T CA 1.523 63.617 62.100 -0.011 0.000 1.152 156 T CB -0.268 68.586 68.868 -0.023 0.000 0.864 156 T HN 0.337 nan 8.240 nan 0.000 0.419 157 Q N 1.442 121.234 119.800 -0.013 0.000 2.197 157 Q HA -0.136 4.204 4.340 -0.000 0.000 0.207 157 Q C 2.010 178.020 176.000 0.017 0.000 0.984 157 Q CA 1.529 57.327 55.803 -0.009 0.000 0.869 157 Q CB -0.511 28.212 28.738 -0.026 0.000 0.906 157 Q HN 0.374 nan 8.270 nan 0.000 0.426 158 N N -0.274 118.448 118.700 0.038 0.000 2.039 158 N HA -0.108 4.632 4.740 -0.000 0.000 0.193 158 N C 1.763 177.359 175.510 0.145 0.000 1.044 158 N CA 1.608 54.714 53.050 0.093 0.000 0.847 158 N CB -0.419 38.138 38.487 0.116 0.000 1.030 158 N HN 0.331 nan 8.380 nan 0.000 0.422 159 I N 1.198 121.800 120.570 0.053 0.000 2.248 159 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 159 I C 2.397 178.580 176.117 0.109 0.000 1.107 159 I CA 1.101 62.404 61.300 0.005 0.000 1.373 159 I CB -0.112 37.812 38.000 -0.128 0.000 1.055 159 I HN 0.136 nan 8.210 nan 0.000 0.418 160 R N 0.538 121.064 120.500 0.044 0.000 2.064 160 R HA -0.140 4.200 4.340 -0.000 0.000 0.228 160 R C 1.922 178.197 176.300 -0.043 0.000 1.144 160 R CA 1.767 57.869 56.100 0.003 0.000 0.932 160 R CB -0.415 29.881 30.300 -0.006 0.000 0.833 160 R HN 0.306 nan 8.270 nan 0.000 0.429 161 D N 0.336 120.725 120.400 -0.019 0.000 2.224 161 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 161 D C 0.259 176.502 176.300 -0.095 0.000 0.965 161 D CA 1.243 55.211 54.000 -0.053 0.000 0.852 161 D CB 0.192 40.985 40.800 -0.011 0.000 0.947 161 D HN 0.114 nan 8.370 nan 0.000 0.494 162 K N -0.325 120.056 120.400 -0.032 0.000 2.281 162 K HA 0.751 5.071 4.320 -0.000 0.000 0.242 162 K C -0.976 175.394 176.600 -0.383 0.000 0.971 162 K CA -0.838 55.393 56.287 -0.093 0.000 0.834 162 K CB 2.689 35.219 32.500 0.050 0.000 1.181 162 K HN -0.124 nan 8.250 nan 0.000 0.435 163 A N 1.619 124.130 122.820 -0.516 0.000 2.459 163 A HA 0.322 4.642 4.320 -0.000 0.000 0.296 163 A C -2.037 175.392 177.584 -0.259 0.000 1.039 163 A CA -0.599 50.993 52.037 -0.742 0.000 0.698 163 A CB 0.668 19.226 19.000 -0.738 0.000 1.261 163 A HN 0.717 nan 8.150 nan 0.000 0.405 164 Y N 2.163 122.185 120.300 -0.463 0.000 2.313 164 Y HA 0.588 5.138 4.550 -0.000 0.000 0.332 164 Y C 0.622 176.674 175.900 0.253 0.000 1.071 164 Y CA 1.192 59.258 58.100 -0.057 0.000 1.169 164 Y CB 1.037 39.451 38.460 -0.076 0.000 1.192 164 Y HN 1.296 nan 8.280 nan 0.000 0.487 165 G N 1.909 110.550 108.800 -0.264 0.000 2.325 165 G HA2 0.101 4.061 3.960 -0.000 0.000 0.295 165 G HA3 0.101 4.061 3.960 -0.000 0.000 0.295 165 G C -0.580 174.304 174.900 -0.027 0.000 1.274 165 G CA -0.244 44.899 45.100 0.070 0.000 0.857 165 G HN 0.428 nan 8.290 nan 0.000 0.499 166 S N -0.254 115.470 115.700 0.041 0.000 2.528 166 S HA 0.435 4.905 4.470 -0.000 0.000 0.219 166 S C 1.473 175.889 174.600 -0.307 0.000 0.985 166 S CA 1.554 59.665 58.200 -0.149 0.000 0.914 166 S CB -0.308 62.749 63.200 -0.239 0.000 0.776 166 S HN 2.283 nan 8.310 nan 0.000 0.526 167 G N 1.589 110.015 108.800 -0.623 0.000 2.512 167 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.240 167 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.240 167 G C -0.174 174.342 174.900 -0.641 0.000 1.246 167 G CA -0.207 44.155 45.100 -1.230 0.000 0.919 167 G HN 0.996 nan 8.290 nan 0.000 0.577 168 T N -3.722 110.466 114.554 -0.611 0.000 2.883 168 T HA 0.625 4.975 4.350 -0.000 0.000 0.301 168 T C 0.631 175.034 174.700 -0.495 0.000 1.158 168 T CA 0.219 61.972 62.100 -0.577 0.000 1.007 168 T CB 1.719 70.338 68.868 -0.415 0.000 1.186 168 T HN 0.778 nan 8.240 nan 0.000 0.499 169 Y N 0.855 120.817 120.300 -0.564 0.000 2.151 169 Y HA -0.126 4.424 4.550 -0.000 0.000 0.284 169 Y C 2.768 178.488 175.900 -0.300 0.000 1.166 169 Y CA 2.101 60.013 58.100 -0.314 0.000 1.163 169 Y CB -0.508 37.787 38.460 -0.276 0.000 0.974 169 Y HN 0.699 nan 8.280 nan 0.000 0.511 170 M N 0.261 119.753 119.600 -0.181 0.000 2.144 170 M HA -0.142 4.338 4.480 -0.000 0.000 0.260 170 M C 2.164 178.290 176.300 -0.291 0.000 1.067 170 M CA 2.134 57.246 55.300 -0.312 0.000 1.095 170 M CB -1.019 31.425 32.600 -0.260 0.000 1.365 170 M HN 0.195 nan 8.290 nan 0.000 0.406 171 G N -1.050 107.584 108.800 -0.277 0.000 2.394 171 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.215 171 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.215 171 G C 1.389 176.173 174.900 -0.193 0.000 1.165 171 G CA 0.613 45.544 45.100 -0.281 0.000 0.784 171 G HN 0.609 nan 8.290 nan 0.000 0.535 172 Q N 0.349 120.057 119.800 -0.154 0.000 2.016 172 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 172 Q C 3.021 179.012 176.000 -0.016 0.000 0.978 172 Q CA 1.279 57.049 55.803 -0.055 0.000 0.833 172 Q CB -0.318 28.417 28.738 -0.005 0.000 0.895 172 Q HN 0.437 nan 8.270 nan 0.000 0.427 173 A N 1.503 124.299 122.820 -0.040 0.000 1.940 173 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 173 A C 1.865 179.532 177.584 0.139 0.000 1.176 173 A CA 1.691 53.733 52.037 0.009 0.000 0.631 173 A CB -0.529 18.418 19.000 -0.088 0.000 0.814 173 A HN 0.249 nan 8.150 nan 0.000 0.446 174 N N -0.803 117.908 118.700 0.019 0.000 2.331 174 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 174 N C 1.761 177.336 175.510 0.108 0.000 1.019 174 N CA 1.100 54.229 53.050 0.132 0.000 0.881 174 N CB -0.266 38.229 38.487 0.014 0.000 0.972 174 N HN 0.466 nan 8.380 nan 0.000 0.435 175 R N 0.179 120.714 120.500 0.058 0.000 2.153 175 R HA 0.189 4.529 4.340 -0.000 0.000 0.218 175 R C 1.909 178.276 176.300 0.111 0.000 1.072 175 R CA 0.634 56.777 56.100 0.072 0.000 0.990 175 R CB -0.307 30.024 30.300 0.051 0.000 0.889 175 R HN 0.177 nan 8.270 nan 0.000 0.452 176 L N -0.685 120.603 121.223 0.109 0.000 2.005 176 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 176 L C 2.148 179.173 176.870 0.258 0.000 1.072 176 L CA 1.150 56.081 54.840 0.152 0.000 0.744 176 L CB -0.510 41.492 42.059 -0.095 0.000 0.895 176 L HN -0.012 nan 8.230 nan 0.000 0.433 177 V N 0.139 120.161 119.914 0.180 0.000 2.392 177 V HA -0.321 3.798 4.120 -0.000 0.000 0.249 177 V C 2.742 178.896 176.094 0.100 0.000 1.059 177 V CA 1.727 64.136 62.300 0.182 0.000 1.051 177 V CB -1.145 30.740 31.823 0.103 0.000 0.658 177 V HN 0.502 nan 8.190 nan 0.000 0.455 178 A N -0.353 122.527 122.820 0.100 0.000 1.940 178 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 178 A C 2.235 179.847 177.584 0.048 0.000 1.176 178 A CA 2.353 54.428 52.037 0.064 0.000 0.631 178 A CB -0.429 18.613 19.000 0.070 0.000 0.814 178 A HN 0.539 nan 8.150 nan 0.000 0.446 179 M N -1.227 118.421 119.600 0.081 0.000 2.193 179 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 179 M C 2.237 178.525 176.300 -0.019 0.000 1.071 179 M CA 1.431 56.773 55.300 0.070 0.000 1.140 179 M CB -0.259 32.428 32.600 0.144 0.000 1.369 179 M HN 0.357 nan 8.290 nan 0.000 0.423 180 K N 0.915 121.246 120.400 -0.115 0.000 2.074 180 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 180 K C 1.683 178.094 176.600 -0.315 0.000 1.048 180 K CA 1.736 57.695 56.287 -0.547 0.000 0.926 180 K CB -0.004 32.029 32.500 -0.778 0.000 0.713 180 K HN 0.093 nan 8.250 nan 0.000 0.444 181 E N 0.115 120.224 120.200 -0.151 0.000 2.418 181 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 181 E C 1.578 178.137 176.600 -0.069 0.000 1.026 181 E CA 0.320 56.662 56.400 -0.097 0.000 0.862 181 E CB 0.236 29.905 29.700 -0.051 0.000 0.799 181 E HN 0.100 nan 8.360 nan 0.000 0.518 182 V N -0.343 119.537 119.914 -0.056 0.000 2.331 182 V HA -0.037 4.083 4.120 -0.000 0.000 0.242 182 V C 2.054 178.127 176.094 -0.034 0.000 1.034 182 V CA 1.557 63.837 62.300 -0.034 0.000 1.027 182 V CB -0.293 31.525 31.823 -0.008 0.000 0.667 182 V HN 0.367 nan 8.190 nan 0.000 0.457 183 A N 0.037 122.836 122.820 -0.036 0.000 2.067 183 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 183 A C 2.103 179.685 177.584 -0.003 0.000 1.156 183 A CA 1.960 54.000 52.037 0.005 0.000 0.683 183 A CB -0.328 18.716 19.000 0.074 0.000 0.808 183 A HN 0.622 nan 8.150 nan 0.000 0.455 184 T N -5.677 108.842 114.554 -0.059 0.000 3.041 184 T HA 0.369 4.718 4.350 -0.000 0.000 0.276 184 T C 1.392 176.058 174.700 -0.057 0.000 0.948 184 T CA 0.864 62.937 62.100 -0.045 0.000 0.885 184 T CB 0.151 68.990 68.868 -0.049 0.000 1.175 184 T HN 0.261 nan 8.240 nan 0.000 0.529 185 G N 1.998 110.756 108.800 -0.071 0.000 2.558 185 G HA2 0.148 4.108 3.960 -0.000 0.000 0.218 185 G HA3 0.148 4.108 3.960 -0.000 0.000 0.218 185 G C 1.338 176.211 174.900 -0.046 0.000 1.567 185 G CA 0.295 45.358 45.100 -0.062 0.000 0.950 185 G HN 0.408 nan 8.290 nan 0.000 0.517 186 R N 0.333 120.806 120.500 -0.046 0.000 2.088 186 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 186 R C 0.284 176.558 176.300 -0.043 0.000 1.136 186 R CA 1.745 57.819 56.100 -0.044 0.000 0.926 186 R CB -0.326 29.944 30.300 -0.049 0.000 0.837 186 R HN 0.391 nan 8.270 nan 0.000 0.429 187 N N 0.654 119.326 118.700 -0.046 0.000 2.716 187 N HA 0.267 5.007 4.740 -0.000 0.000 0.253 187 N C -2.772 172.721 175.510 -0.029 0.000 1.170 187 N CA -2.117 50.908 53.050 -0.042 0.000 0.807 187 N CB 1.598 40.049 38.487 -0.060 0.000 1.183 187 N HN 0.033 nan 8.380 nan 0.000 0.524 188 P HA 0.081 nan 4.420 nan 0.000 0.269 188 P C -0.423 176.881 177.300 0.007 0.000 1.209 188 P CA -0.125 62.971 63.100 -0.007 0.000 0.776 188 P CB 0.638 32.335 31.700 -0.006 0.000 0.876 189 N N 1.826 120.539 118.700 0.022 0.000 2.374 189 N HA 0.043 4.783 4.740 -0.000 0.000 0.241 189 N C 0.181 175.710 175.510 0.032 0.000 1.262 189 N CA 0.598 53.673 53.050 0.042 0.000 0.880 189 N CB 0.154 38.678 38.487 0.062 0.000 1.105 189 N HN 0.339 nan 8.380 nan 0.000 0.438 190 K N 0.546 120.973 120.400 0.045 0.000 2.378 190 K HA 0.154 4.474 4.320 -0.000 0.000 0.252 190 K C -1.221 175.329 176.600 -0.083 0.000 0.931 190 K CA -0.840 55.446 56.287 -0.001 0.000 0.794 190 K CB 1.837 34.344 32.500 0.012 0.000 1.181 190 K HN 0.407 nan 8.250 nan 0.000 0.425 191 D N 4.203 124.532 120.400 -0.118 0.000 2.412 191 D HA 0.011 4.651 4.640 -0.000 0.000 0.257 191 D C -1.341 174.836 176.300 -0.205 0.000 1.217 191 D CA -1.845 52.031 54.000 -0.206 0.000 0.897 191 D CB 1.060 41.783 40.800 -0.128 0.000 1.132 191 D HN 0.197 nan 8.370 nan 0.000 0.493 192 P HA -0.114 nan 4.420 nan 0.000 0.221 192 P C 1.659 178.929 177.300 -0.051 0.000 1.150 192 P CA 0.710 63.693 63.100 -0.195 0.000 0.800 192 P CB 0.296 31.808 31.700 -0.314 0.000 0.787 193 L N -0.576 120.565 121.223 -0.137 0.000 2.201 193 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 193 L C 2.325 179.156 176.870 -0.064 0.000 1.105 193 L CA 1.192 55.951 54.840 -0.136 0.000 0.775 193 L CB -0.758 41.146 42.059 -0.259 0.000 0.913 193 L HN -0.122 nan 8.230 nan 0.000 0.440 194 K N 0.316 120.684 120.400 -0.053 0.000 2.487 194 K HA 0.139 4.459 4.320 -0.000 0.000 0.192 194 K C 1.400 178.007 176.600 0.013 0.000 1.027 194 K CA 0.556 56.829 56.287 -0.023 0.000 1.054 194 K CB 0.347 32.827 32.500 -0.034 0.000 0.824 194 K HN 0.370 nan 8.250 nan 0.000 0.510 195 L N -0.411 120.842 121.223 0.051 0.000 2.700 195 L HA 0.157 4.497 4.340 -0.000 0.000 0.234 195 L C 1.114 178.034 176.870 0.083 0.000 1.156 195 L CA 0.179 55.078 54.840 0.099 0.000 0.946 195 L CB 0.239 42.405 42.059 0.178 0.000 1.216 195 L HN 0.325 nan 8.230 nan 0.000 0.493 196 G N -1.196 107.628 108.800 0.040 0.000 2.279 196 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.223 196 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.223 196 G C 0.153 174.999 174.900 -0.089 0.000 1.015 196 G CA -0.435 44.645 45.100 -0.034 0.000 0.621 196 G HN 0.201 nan 8.290 nan 0.000 0.506 197 Y N 2.322 122.591 120.300 -0.052 0.000 2.457 197 Y HA 0.445 4.995 4.550 -0.000 0.000 0.341 197 Y C 1.362 177.163 175.900 -0.165 0.000 1.240 197 Y CA 1.106 59.141 58.100 -0.108 0.000 1.437 197 Y CB 0.980 39.372 38.460 -0.113 0.000 1.328 197 Y HN 0.408 nan 8.280 nan 0.000 0.588 198 T N -2.054 112.440 114.554 -0.100 0.000 2.883 198 T HA 0.333 4.683 4.350 -0.000 0.000 0.301 198 T C 0.309 174.773 174.700 -0.394 0.000 1.158 198 T CA -0.858 61.051 62.100 -0.318 0.000 1.007 198 T CB 0.682 69.293 68.868 -0.428 0.000 1.186 198 T HN 0.319 nan 8.240 nan 0.000 0.499 199 F N 0.829 120.539 119.950 -0.400 0.000 2.082 199 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 199 F C 2.505 177.875 175.800 -0.716 0.000 1.091 199 F CA 2.148 59.730 58.000 -0.697 0.000 1.230 199 F CB -0.793 37.511 39.000 -1.161 0.000 0.983 199 F HN 0.717 nan 8.300 nan 0.000 0.485 200 E N 0.170 120.021 120.200 -0.581 0.000 2.051 200 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 200 E C 2.357 178.703 176.600 -0.424 0.000 0.979 200 E CA 1.438 57.577 56.400 -0.436 0.000 0.803 200 E CB -0.451 28.784 29.700 -0.776 0.000 0.761 200 E HN 0.252 nan 8.360 nan 0.000 0.451 201 S N -0.058 115.263 115.700 -0.632 0.000 2.382 201 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 201 S C 2.111 176.569 174.600 -0.237 0.000 1.027 201 S CA 1.249 59.073 58.200 -0.626 0.000 0.991 201 S CB -0.573 62.234 63.200 -0.654 0.000 0.823 201 S HN 0.338 nan 8.310 nan 0.000 0.469 202 I N 2.154 122.658 120.570 -0.111 0.000 2.252 202 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 202 I C 3.114 179.213 176.117 -0.030 0.000 1.102 202 I CA 1.104 62.389 61.300 -0.024 0.000 1.385 202 I CB -0.708 37.283 38.000 -0.015 0.000 1.064 202 I HN 0.449 nan 8.210 nan 0.000 0.414 203 A N 0.151 123.003 122.820 0.054 0.000 1.972 203 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 203 A C 2.253 179.958 177.584 0.201 0.000 1.169 203 A CA 1.435 53.639 52.037 0.279 0.000 0.635 203 A CB -0.482 18.826 19.000 0.513 0.000 0.810 203 A HN 0.486 nan 8.150 nan 0.000 0.446 204 Q N -0.796 119.030 119.800 0.043 0.000 2.311 204 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 204 Q C 1.963 177.963 176.000 -0.000 0.000 0.954 204 Q CA 0.679 56.494 55.803 0.021 0.000 0.885 204 Q CB -0.137 28.560 28.738 -0.068 0.000 0.963 204 Q HN 0.686 nan 8.270 nan 0.000 0.471 205 L N 0.223 121.424 121.223 -0.036 0.000 2.023 205 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 205 L C 2.246 179.075 176.870 -0.067 0.000 1.073 205 L CA 0.918 55.736 54.840 -0.037 0.000 0.745 205 L CB -0.325 41.716 42.059 -0.030 0.000 0.900 205 L HN 0.192 nan 8.230 nan 0.000 0.435 206 L N -0.423 120.695 121.223 -0.174 0.000 2.265 206 L HA -0.233 4.106 4.340 -0.000 0.000 0.215 206 L C 2.026 178.774 176.870 -0.204 0.000 1.117 206 L CA 0.662 55.262 54.840 -0.400 0.000 0.782 206 L CB -0.588 40.828 42.059 -1.071 0.000 0.914 206 L HN 0.307 nan 8.230 nan 0.000 0.441 207 D N 0.067 120.512 120.400 0.075 0.000 2.190 207 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 207 D C 2.044 178.406 176.300 0.105 0.000 0.992 207 D CA 1.196 55.315 54.000 0.199 0.000 0.854 207 D CB 0.163 41.063 40.800 0.166 0.000 0.936 207 D HN 0.221 nan 8.370 nan 0.000 0.462 208 I N 0.256 120.859 120.570 0.055 0.000 2.429 208 I HA -0.108 4.061 4.170 -0.000 0.000 0.247 208 I C 2.461 178.613 176.117 0.059 0.000 1.099 208 I CA 1.130 62.465 61.300 0.058 0.000 1.422 208 I CB -1.543 36.490 38.000 0.055 0.000 1.112 208 I HN 0.043 nan 8.210 nan 0.000 0.430 209 T N -1.023 113.554 114.554 0.037 0.000 3.023 209 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 209 T C 0.849 175.596 174.700 0.077 0.000 1.093 209 T CA 0.443 62.599 62.100 0.092 0.000 1.129 209 T CB -0.060 68.867 68.868 0.097 0.000 0.899 209 T HN 0.103 nan 8.240 nan 0.000 0.491 210 L N 1.683 122.870 121.223 -0.061 0.000 2.448 210 L HA 0.471 4.810 4.340 -0.000 0.000 0.257 210 L C -2.958 173.926 176.870 0.024 0.000 1.504 210 L CA -1.892 52.852 54.840 -0.159 0.000 0.852 210 L CB 1.556 43.333 42.059 -0.471 0.000 1.051 210 L HN -0.144 nan 8.230 nan 0.000 0.518 211 P HA 0.202 nan 4.420 nan 0.000 0.268 211 P C -1.095 176.246 177.300 0.068 0.000 1.205 211 P CA 0.085 63.244 63.100 0.098 0.000 0.771 211 P CB 0.941 32.685 31.700 0.074 0.000 0.858 212 V N 0.433 120.367 119.914 0.034 0.000 2.789 212 V HA 0.934 5.054 4.120 -0.000 0.000 0.311 212 V C 0.146 176.182 176.094 -0.097 0.000 1.073 212 V CA -0.651 61.618 62.300 -0.050 0.000 0.921 212 V CB 1.771 33.524 31.823 -0.118 0.000 1.009 212 V HN 0.649 nan 8.190 nan 0.000 0.426 213 G N 2.495 111.224 108.800 -0.119 0.000 2.938 213 G HA2 0.828 4.787 3.960 -0.000 0.000 0.258 213 G HA3 0.828 4.787 3.960 -0.000 0.000 0.258 213 G C -3.058 171.724 174.900 -0.197 0.000 1.356 213 G CA -1.872 43.153 45.100 -0.126 0.000 1.052 213 G HN 0.666 nan 8.290 nan 0.000 0.550 214 P HA 0.279 nan 4.420 nan 0.000 0.277 214 P C -2.349 174.784 177.300 -0.279 0.000 1.240 214 P CA -1.249 61.715 63.100 -0.227 0.000 0.798 214 P CB 0.857 32.487 31.700 -0.116 0.000 0.979 215 P HA 0.249 nan 4.420 nan 0.000 0.273 215 P C 0.350 177.549 177.300 -0.168 0.000 1.250 215 P CA 0.654 63.491 63.100 -0.439 0.000 0.793 215 P CB 0.230 31.402 31.700 -0.879 0.000 1.011 216 G N -1.243 107.518 108.800 -0.064 0.000 2.610 216 G HA2 0.232 4.192 3.960 -0.000 0.000 0.304 216 G HA3 0.232 4.192 3.960 -0.000 0.000 0.304 216 G C -0.102 174.803 174.900 0.008 0.000 1.309 216 G CA 0.220 45.358 45.100 0.062 0.000 0.906 216 G HN 0.750 nan 8.290 nan 0.000 0.521 217 E N -2.311 117.921 120.200 0.054 0.000 3.980 217 E HA 0.700 5.050 4.350 -0.000 0.000 0.275 217 E C 1.488 178.095 176.600 0.011 0.000 0.939 217 E CA 1.354 57.760 56.400 0.010 0.000 1.170 217 E CB -0.473 29.249 29.700 0.036 0.000 2.606 217 E HN 2.154 nan 8.360 nan 0.000 0.510 218 D N -0.398 120.013 120.400 0.018 0.000 2.615 218 D HA 0.478 5.118 4.640 -0.000 0.000 0.236 218 D C 0.155 176.465 176.300 0.016 0.000 1.233 218 D CA 1.468 55.474 54.000 0.009 0.000 0.829 218 D CB -0.851 39.949 40.800 -0.000 0.000 1.024 218 D HN 1.247 nan 8.370 nan 0.000 0.490 219 D N -2.108 118.315 120.400 0.038 0.000 2.896 219 D HA 0.576 5.216 4.640 -0.000 0.000 0.119 219 D C 0.045 176.394 176.300 0.081 0.000 0.793 219 D CA 0.219 54.244 54.000 0.041 0.000 1.529 219 D CB -0.998 39.808 40.800 0.010 0.000 4.513 219 D HN 0.868 nan 8.370 nan 0.000 0.852 220 K N 0.396 120.905 120.400 0.181 0.000 2.096 220 K HA 1.061 5.381 4.320 -0.000 0.000 0.263 220 K C -2.588 174.108 176.600 0.159 0.000 1.013 220 K CA 0.326 56.697 56.287 0.141 0.000 1.218 220 K CB 0.402 32.977 32.500 0.125 0.000 1.961 220 K HN 1.001 nan 8.250 nan 0.000 0.851 221 P HA 0.520 nan 4.420 nan 0.000 0.311 221 P C -1.298 176.109 177.300 0.178 0.000 1.238 221 P CA -0.223 62.925 63.100 0.079 0.000 1.285 221 P CB 1.725 33.438 31.700 0.021 0.000 1.982 222 W N -2.044 119.230 121.300 -0.042 0.000 1.619 222 W HA -0.174 4.486 4.660 -0.000 0.000 0.250 222 W C -0.357 176.130 176.519 -0.054 0.000 1.014 222 W CA 0.498 57.819 57.345 -0.040 0.000 0.427 222 W CB -2.537 26.906 29.460 -0.028 0.000 2.027 222 W HN 0.162 nan 8.180 nan 0.000 1.216 223 V N 1.762 121.741 119.914 0.108 0.000 2.498 223 V HA 0.602 4.722 4.120 -0.000 0.000 0.279 223 V C -0.764 175.385 176.094 0.092 0.000 1.048 223 V CA -1.000 61.283 62.300 -0.030 0.000 0.967 223 V CB 0.905 32.507 31.823 -0.368 0.000 0.988 223 V HN -0.153 nan 8.190 nan 0.000 0.473 224 P HA 0.544 nan 4.420 nan 0.000 0.321 224 P C -0.802 176.365 177.300 -0.221 0.000 1.259 224 P CA -0.983 62.186 63.100 0.115 0.000 0.864 224 P CB 1.981 33.727 31.700 0.077 0.000 1.355 225 L N 0.999 121.929 121.223 -0.489 0.000 2.583 225 L HA 0.198 4.538 4.340 -0.000 0.000 0.239 225 L C 0.697 177.407 176.870 -0.268 0.000 1.347 225 L CA 0.324 54.687 54.840 -0.794 0.000 1.246 225 L CB -1.063 40.189 42.059 -1.345 0.000 1.496 225 L HN 0.464 nan 8.230 nan 0.000 0.413 226 T N -2.896 111.595 114.554 -0.105 0.000 3.145 226 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 226 T C 0.354 175.093 174.700 0.065 0.000 1.003 226 T CA -0.609 61.508 62.100 0.027 0.000 0.901 226 T CB 0.097 68.957 68.868 -0.013 0.000 1.112 226 T HN 0.496 nan 8.240 nan 0.000 0.535 227 R N 0.098 120.650 120.500 0.087 0.000 2.707 227 R HA 0.730 5.069 4.340 -0.000 0.000 0.272 227 R C -0.594 175.814 176.300 0.181 0.000 1.011 227 R CA -1.156 55.006 56.100 0.103 0.000 0.893 227 R CB 1.240 31.572 30.300 0.053 0.000 1.233 227 R HN 0.042 nan 8.270 nan 0.000 0.464 228 V N -1.375 118.620 119.914 0.135 0.000 3.237 228 V HA 0.221 4.341 4.120 -0.000 0.000 0.305 228 V C -1.757 174.407 176.094 0.117 0.000 1.096 228 V CA -1.392 60.985 62.300 0.127 0.000 1.130 228 V CB 0.340 32.183 31.823 0.033 0.000 1.048 228 V HN 0.683 nan 8.190 nan 0.000 0.484 229 P HA -0.158 nan 4.420 nan 0.000 0.217 229 P C 2.085 179.416 177.300 0.051 0.000 1.148 229 P CA 2.044 65.192 63.100 0.081 0.000 0.834 229 P CB 0.047 31.780 31.700 0.055 0.000 0.783 230 S N -0.738 114.983 115.700 0.036 0.000 2.368 230 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 230 S C 1.808 176.433 174.600 0.043 0.000 1.030 230 S CA 0.993 59.206 58.200 0.022 0.000 0.999 230 S CB -0.544 62.662 63.200 0.009 0.000 0.844 230 S HN -0.035 nan 8.310 nan 0.000 0.459 231 R N 0.828 121.364 120.500 0.061 0.000 2.339 231 R HA 0.147 4.487 4.340 -0.000 0.000 0.199 231 R C 0.940 177.306 176.300 0.111 0.000 1.018 231 R CA 0.270 56.419 56.100 0.081 0.000 1.036 231 R CB -0.613 29.731 30.300 0.073 0.000 0.899 231 R HN 0.481 nan 8.270 nan 0.000 0.473 232 M N 0.299 119.966 119.600 0.112 0.000 2.654 232 M HA 0.125 4.604 4.480 -0.000 0.000 0.217 232 M C 0.015 176.429 176.300 0.191 0.000 1.183 232 M CA 0.391 55.794 55.300 0.172 0.000 0.991 232 M CB -0.401 32.284 32.600 0.141 0.000 1.749 232 M HN -0.067 nan 8.290 nan 0.000 0.475 233 L N 0.477 121.787 121.223 0.146 0.000 2.480 233 L HA 0.349 4.689 4.340 -0.000 0.000 0.253 233 L C -0.696 176.267 176.870 0.154 0.000 1.324 233 L CA -0.441 54.464 54.840 0.109 0.000 0.916 233 L CB 1.327 43.400 42.059 0.024 0.000 1.160 233 L HN -0.198 nan 8.230 nan 0.000 0.503 234 V N 2.660 122.692 119.914 0.197 0.000 2.498 234 V HA 0.270 4.390 4.120 -0.000 0.000 0.279 234 V C 0.410 176.613 176.094 0.181 0.000 1.048 234 V CA -0.615 61.804 62.300 0.200 0.000 0.967 234 V CB 1.309 33.272 31.823 0.232 0.000 0.988 234 V HN 0.472 nan 8.190 nan 0.000 0.473 235 L N 3.885 125.219 121.223 0.184 0.000 2.375 235 L HA 0.904 5.244 4.340 -0.000 0.000 0.271 235 L C 0.327 177.241 176.870 0.073 0.000 1.107 235 L CA 0.048 54.969 54.840 0.135 0.000 0.806 235 L CB 1.295 43.411 42.059 0.095 0.000 1.146 235 L HN 0.762 nan 8.230 nan 0.000 0.447 236 T N -0.744 113.833 114.554 0.038 0.000 2.591 236 T HA 0.911 5.261 4.350 -0.000 0.000 0.274 236 T C 0.303 174.997 174.700 -0.010 0.000 0.945 236 T CA -0.473 61.639 62.100 0.021 0.000 1.087 236 T CB 0.824 69.711 68.868 0.032 0.000 1.416 236 T HN 1.716 nan 8.240 nan 0.000 0.514 246 E N 2.448 122.653 120.200 0.008 0.000 2.231 246 E HA 0.661 5.011 4.350 -0.000 0.000 0.277 246 E C -0.594 175.886 176.600 -0.199 0.000 0.999 246 E CA -0.078 56.231 56.400 -0.152 0.000 0.827 246 E CB 1.978 31.525 29.700 -0.254 0.000 1.101 246 E HN 1.288 nan 8.360 nan 0.000 0.393 247 D N 0.646 120.888 120.400 -0.264 0.000 2.359 247 D HA 0.335 4.975 4.640 -0.000 0.000 0.230 247 D C -0.786 175.361 176.300 -0.254 0.000 1.118 247 D CA -0.081 53.810 54.000 -0.182 0.000 0.844 247 D CB 0.341 41.075 40.800 -0.110 0.000 1.059 247 D HN 0.477 nan 8.370 nan 0.000 0.493 248 Y N 2.373 122.699 120.300 0.043 0.000 2.481 248 Y HA 0.312 4.862 4.550 -0.000 0.000 0.247 248 Y C 0.212 176.139 175.900 0.045 0.000 1.151 248 Y CA -0.420 57.721 58.100 0.068 0.000 1.238 248 Y CB 0.311 38.822 38.460 0.085 0.000 1.179 248 Y HN 0.326 nan 8.280 nan 0.000 0.524 249 L N 3.377 124.664 121.223 0.107 0.000 2.369 249 L HA 0.215 4.555 4.340 -0.000 0.000 0.279 249 L C -2.078 174.732 176.870 -0.099 0.000 1.108 249 L CA -1.814 53.037 54.840 0.018 0.000 0.852 249 L CB 0.445 42.492 42.059 -0.020 0.000 1.169 249 L HN -0.133 nan 8.230 nan 0.000 0.452 250 P HA -0.073 nan 4.420 nan 0.000 0.253 250 P C -0.517 176.398 177.300 -0.643 0.000 1.170 250 P CA 0.093 62.887 63.100 -0.511 0.000 0.806 250 P CB 0.192 31.731 31.700 -0.269 0.000 0.775 251 K N 4.551 124.451 120.400 -0.832 0.000 2.382 251 K HA 0.329 4.648 4.320 -0.000 0.000 0.275 251 K C 0.147 176.489 176.600 -0.429 0.000 1.009 251 K CA 0.105 56.099 56.287 -0.488 0.000 0.970 251 K CB -0.018 32.278 32.500 -0.340 0.000 0.934 251 K HN 0.412 nan 8.250 nan 0.000 0.479 252 I N 0.719 121.165 120.570 -0.207 0.000 2.894 252 I HA 0.359 4.529 4.170 -0.000 0.000 0.302 252 I C -0.591 175.485 176.117 -0.068 0.000 1.188 252 I CA -1.394 59.847 61.300 -0.098 0.000 1.014 252 I CB 1.845 39.836 38.000 -0.015 0.000 1.242 252 I HN 0.605 nan 8.210 nan 0.000 0.430 253 N N 5.006 123.679 118.700 -0.045 0.000 2.483 253 N HA 0.108 4.848 4.740 -0.000 0.000 0.264 253 N C -0.122 175.358 175.510 -0.050 0.000 1.197 253 N CA -0.127 52.898 53.050 -0.042 0.000 0.927 253 N CB 1.749 40.218 38.487 -0.030 0.000 1.065 253 N HN 0.830 nan 8.380 nan 0.000 0.461 254 L N 1.408 122.605 121.223 -0.043 0.000 2.660 254 L HA 0.122 4.462 4.340 -0.000 0.000 0.238 254 L C 1.697 178.548 176.870 -0.032 0.000 1.161 254 L CA 0.204 55.018 54.840 -0.043 0.000 0.937 254 L CB -0.224 41.811 42.059 -0.040 0.000 1.122 254 L HN 0.572 nan 8.230 nan 0.000 0.435 255 K N -0.571 119.812 120.400 -0.029 0.000 2.435 255 K HA 0.116 4.436 4.320 -0.000 0.000 0.199 255 K C 1.109 177.697 176.600 -0.019 0.000 1.153 255 K CA 0.059 56.338 56.287 -0.012 0.000 0.974 255 K CB 0.758 33.262 32.500 0.005 0.000 0.997 255 K HN 0.308 nan 8.250 nan 0.000 0.547 256 S N 1.282 116.948 115.700 -0.056 0.000 2.589 256 S HA 0.079 4.548 4.470 -0.000 0.000 0.265 256 S C 0.334 174.891 174.600 -0.072 0.000 1.342 256 S CA -0.784 57.360 58.200 -0.094 0.000 1.005 256 S CB 0.895 64.000 63.200 -0.159 0.000 0.909 256 S HN 0.160 nan 8.310 nan 0.000 0.555 257 S N 1.301 116.958 115.700 -0.073 0.000 2.516 257 S HA 0.133 4.603 4.470 -0.000 0.000 0.282 257 S C 1.129 175.683 174.600 -0.077 0.000 1.286 257 S CA -0.273 57.909 58.200 -0.031 0.000 1.066 257 S CB 0.997 64.213 63.200 0.027 0.000 0.884 257 S HN 0.833 nan 8.310 nan 0.000 0.491 258 S N 3.712 119.388 115.700 -0.042 0.000 2.359 258 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 258 S C 1.265 175.840 174.600 -0.041 0.000 1.035 258 S CA 1.505 59.687 58.200 -0.031 0.000 1.018 258 S CB -1.316 61.892 63.200 0.014 0.000 0.876 258 S HN 2.027 nan 8.310 nan 0.000 0.448 259 G N -0.273 108.489 108.800 -0.063 0.000 2.710 259 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.668 259 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.668 259 G C -0.663 174.191 174.900 -0.076 0.000 1.320 259 G CA -0.463 44.558 45.100 -0.132 0.000 0.860 259 G HN 0.628 nan 8.290 nan 0.000 0.538 260 L N 1.105 122.243 121.223 -0.142 0.000 2.559 260 L HA 0.220 4.560 4.340 -0.000 0.000 0.282 260 L C -1.012 175.763 176.870 -0.158 0.000 1.232 260 L CA -0.605 54.126 54.840 -0.181 0.000 0.885 260 L CB 0.504 42.438 42.059 -0.207 0.000 1.131 260 L HN 0.496 nan 8.230 nan 0.000 0.498 261 P HA 0.094 nan 4.420 nan 0.000 0.248 261 P C -0.813 176.075 177.300 -0.686 0.000 1.708 261 P CA 0.186 62.866 63.100 -0.701 0.000 1.062 261 P CB -0.063 30.931 31.700 -1.177 0.000 1.562 262 Y N -0.775 119.467 120.300 -0.097 0.000 2.495 262 Y HA 0.206 4.756 4.550 -0.000 0.000 0.362 262 Y C 0.489 176.363 175.900 -0.043 0.000 0.956 262 Y CA -1.102 56.965 58.100 -0.055 0.000 1.127 262 Y CB 0.583 39.015 38.460 -0.047 0.000 1.173 262 Y HN -0.305 nan 8.280 nan 0.000 0.639 263 V N 1.249 121.191 119.914 0.046 0.000 2.529 263 V HA 0.339 4.459 4.120 -0.000 0.000 0.292 263 V C 1.182 177.332 176.094 0.094 0.000 1.028 263 V CA 1.128 63.462 62.300 0.056 0.000 1.074 263 V CB 0.366 32.228 31.823 0.065 0.000 0.958 263 V HN 0.949 nan 8.190 nan 0.000 0.481 264 G N 4.385 113.256 108.800 0.117 0.000 2.179 264 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.220 264 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.220 264 G C 0.085 175.035 174.900 0.083 0.000 0.990 264 G CA -0.053 45.113 45.100 0.109 0.000 0.646 264 G HN 0.639 nan 8.290 nan 0.000 0.517 265 R N 0.058 120.605 120.500 0.078 0.000 2.888 265 R HA 0.727 5.067 4.340 -0.000 0.000 0.266 265 R C 0.450 176.764 176.300 0.023 0.000 1.020 265 R CA -0.083 56.042 56.100 0.043 0.000 0.963 265 R CB 1.397 31.714 30.300 0.029 0.000 1.197 265 R HN 0.284 nan 8.270 nan 0.000 0.481 266 T N -1.949 112.602 114.554 -0.004 0.000 2.912 266 T HA 0.276 4.626 4.350 -0.000 0.000 0.280 266 T C 0.836 175.505 174.700 -0.052 0.000 0.989 266 T CA -0.925 61.165 62.100 -0.017 0.000 0.995 266 T CB 1.359 70.222 68.868 -0.008 0.000 1.077 266 T HN 0.410 nan 8.240 nan 0.000 0.531 267 K N 0.369 120.734 120.400 -0.057 0.000 2.211 267 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 267 K C 2.325 178.879 176.600 -0.077 0.000 1.050 267 K CA 1.163 57.406 56.287 -0.073 0.000 0.945 267 K CB -0.592 31.864 32.500 -0.073 0.000 0.732 267 K HN 0.822 nan 8.250 nan 0.000 0.451 268 G N 1.109 109.871 108.800 -0.063 0.000 2.534 268 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 268 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 268 G C 1.013 175.871 174.900 -0.069 0.000 1.128 268 G CA 0.237 45.301 45.100 -0.060 0.000 0.784 268 G HN 0.322 nan 8.290 nan 0.000 0.542 269 E N -0.249 119.904 120.200 -0.079 0.000 2.474 269 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 269 E C 1.378 177.886 176.600 -0.152 0.000 1.041 269 E CA 0.826 57.172 56.400 -0.090 0.000 0.874 269 E CB 0.374 30.032 29.700 -0.070 0.000 0.914 269 E HN 0.469 nan 8.360 nan 0.000 0.498 270 T N -2.352 112.093 114.554 -0.183 0.000 3.393 270 T HA 0.172 4.522 4.350 -0.000 0.000 0.298 270 T C 1.377 175.957 174.700 -0.199 0.000 1.004 270 T CA -0.354 61.571 62.100 -0.291 0.000 0.956 270 T CB -0.705 67.881 68.868 -0.469 0.000 1.182 270 T HN 0.098 nan 8.240 nan 0.000 0.497 271 I N 0.157 120.646 120.570 -0.135 0.000 2.163 271 I HA 0.171 4.341 4.170 -0.000 0.000 0.243 271 I C 2.545 178.608 176.117 -0.091 0.000 1.085 271 I CA 1.669 62.910 61.300 -0.099 0.000 1.347 271 I CB -1.034 36.914 38.000 -0.087 0.000 1.044 271 I HN 0.254 nan 8.210 nan 0.000 0.408 272 G N 0.156 108.898 108.800 -0.098 0.000 2.421 272 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 272 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 272 G C 1.473 176.333 174.900 -0.066 0.000 1.143 272 G CA 0.663 45.715 45.100 -0.080 0.000 0.784 272 G HN 0.441 nan 8.290 nan 0.000 0.541 273 E N -0.261 119.878 120.200 -0.103 0.000 2.107 273 E HA 0.019 4.368 4.350 -0.000 0.000 0.191 273 E C 2.301 178.907 176.600 0.009 0.000 0.982 273 E CA 0.531 56.890 56.400 -0.069 0.000 0.809 273 E CB -0.265 29.265 29.700 -0.284 0.000 0.756 273 E HN 0.449 nan 8.360 nan 0.000 0.459 274 M N 0.022 119.602 119.600 -0.034 0.000 2.159 274 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 274 M C 1.761 178.075 176.300 0.022 0.000 1.063 274 M CA 1.537 56.849 55.300 0.020 0.000 1.110 274 M CB 0.017 32.610 32.600 -0.010 0.000 1.374 274 M HN 0.117 nan 8.290 nan 0.000 0.411 275 I N 0.377 120.945 120.570 -0.004 0.000 2.233 275 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 275 I C 2.704 178.823 176.117 0.003 0.000 1.093 275 I CA 1.098 62.394 61.300 -0.006 0.000 1.380 275 I CB -0.620 37.365 38.000 -0.024 0.000 1.067 275 I HN 0.359 nan 8.210 nan 0.000 0.413 276 A N 1.114 123.937 122.820 0.005 0.000 1.883 276 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 276 A C 2.309 179.923 177.584 0.050 0.000 1.186 276 A CA 1.635 53.679 52.037 0.011 0.000 0.624 276 A CB -0.936 18.065 19.000 0.002 0.000 0.822 276 A HN 0.381 nan 8.150 nan 0.000 0.444 277 I N -0.051 120.579 120.570 0.099 0.000 2.226 277 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 277 I C 2.667 178.835 176.117 0.085 0.000 1.100 277 I CA 1.495 62.894 61.300 0.165 0.000 1.374 277 I CB -0.300 37.847 38.000 0.246 0.000 1.057 277 I HN 0.253 nan 8.210 nan 0.000 0.413 278 S N 0.863 116.576 115.700 0.022 0.000 2.368 278 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 278 S C 1.710 176.274 174.600 -0.060 0.000 1.030 278 S CA 1.325 59.494 58.200 -0.052 0.000 0.999 278 S CB -0.435 62.734 63.200 -0.052 0.000 0.844 278 S HN 0.435 nan 8.310 nan 0.000 0.459 279 N N 1.686 120.365 118.700 -0.035 0.000 2.000 279 N HA -0.114 4.626 4.740 -0.000 0.000 0.198 279 N C 1.862 177.335 175.510 -0.062 0.000 1.057 279 N CA 1.176 54.197 53.050 -0.049 0.000 0.858 279 N CB -0.749 37.722 38.487 -0.027 0.000 1.057 279 N HN 0.287 nan 8.380 nan 0.000 0.423 280 Q N 0.063 119.856 119.800 -0.012 0.000 2.118 280 Q HA -0.187 4.153 4.340 -0.000 0.000 0.211 280 Q C 2.067 178.019 176.000 -0.079 0.000 0.998 280 Q CA 1.246 57.058 55.803 0.016 0.000 0.872 280 Q CB -0.800 28.024 28.738 0.143 0.000 0.925 280 Q HN 0.463 nan 8.270 nan 0.000 0.414 281 F N 0.500 120.234 119.950 -0.360 0.000 2.134 281 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 281 F C 2.071 177.597 175.800 -0.457 0.000 1.097 281 F CA 1.062 58.660 58.000 -0.671 0.000 1.264 281 F CB -0.153 38.338 39.000 -0.848 0.000 1.001 281 F HN -0.018 nan 8.300 nan 0.000 0.479 282 L N -0.271 120.750 121.223 -0.336 0.000 2.072 282 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 282 L C 2.602 179.249 176.870 -0.371 0.000 1.079 282 L CA 1.051 55.619 54.840 -0.453 0.000 0.752 282 L CB -0.554 41.226 42.059 -0.465 0.000 0.906 282 L HN -0.012 nan 8.230 nan 0.000 0.436 283 R N 0.127 120.477 120.500 -0.250 0.000 2.091 283 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 283 R C 2.114 178.303 176.300 -0.185 0.000 1.136 283 R CA 1.504 57.499 56.100 -0.174 0.000 0.959 283 R CB -0.211 30.025 30.300 -0.107 0.000 0.856 283 R HN 0.379 nan 8.270 nan 0.000 0.437 284 E N 0.173 120.238 120.200 -0.225 0.000 2.268 284 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 284 E C 1.670 178.106 176.600 -0.274 0.000 0.995 284 E CA 0.538 56.815 56.400 -0.205 0.000 0.836 284 E CB 0.076 29.680 29.700 -0.160 0.000 0.763 284 E HN 0.106 nan 8.360 nan 0.000 0.491 285 L N 0.510 121.487 121.223 -0.410 0.000 2.068 285 L HA -0.118 4.221 4.340 -0.000 0.000 0.204 285 L C 2.329 179.059 176.870 -0.234 0.000 1.076 285 L CA 1.890 56.500 54.840 -0.385 0.000 0.753 285 L CB -0.606 41.132 42.059 -0.535 0.000 0.910 285 L HN 0.085 nan 8.230 nan 0.000 0.439 286 S N -2.133 113.437 115.700 -0.217 0.000 2.382 286 S HA -0.214 4.255 4.470 -0.000 0.000 0.228 286 S C 1.914 176.452 174.600 -0.103 0.000 1.027 286 S CA 1.732 59.848 58.200 -0.141 0.000 0.991 286 S CB -1.132 61.993 63.200 -0.126 0.000 0.823 286 S HN 0.523 nan 8.310 nan 0.000 0.469 287 T N 2.957 117.446 114.554 -0.108 0.000 2.635 287 T HA 0.023 4.373 4.350 -0.000 0.000 0.267 287 T C 1.682 176.341 174.700 -0.068 0.000 1.040 287 T CA 1.817 63.871 62.100 -0.077 0.000 1.156 287 T CB -0.545 68.279 68.868 -0.074 0.000 0.863 287 T HN 0.380 nan 8.240 nan 0.000 0.430 288 L N 0.199 121.372 121.223 -0.084 0.000 2.313 288 L HA 0.126 4.466 4.340 -0.000 0.000 0.214 288 L C 2.262 179.098 176.870 -0.056 0.000 1.119 288 L CA 0.540 55.341 54.840 -0.066 0.000 0.809 288 L CB -0.388 41.627 42.059 -0.073 0.000 0.933 288 L HN 0.250 nan 8.230 nan 0.000 0.449 289 L N -0.558 120.625 121.223 -0.066 0.000 2.209 289 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 289 L C 2.222 179.071 176.870 -0.035 0.000 1.094 289 L CA 0.692 55.503 54.840 -0.048 0.000 0.790 289 L CB -0.280 41.747 42.059 -0.054 0.000 0.932 289 L HN 0.135 nan 8.230 nan 0.000 0.447 290 K N 0.181 120.557 120.400 -0.039 0.000 2.505 290 K HA -0.010 4.309 4.320 -0.000 0.000 0.192 290 K C 1.243 177.829 176.600 -0.024 0.000 1.025 290 K CA 0.458 56.727 56.287 -0.030 0.000 1.086 290 K CB 0.428 32.908 32.500 -0.033 0.000 0.840 290 K HN 0.479 nan 8.250 nan 0.000 0.514 291 Q N -1.872 117.913 119.800 -0.025 0.000 2.532 291 Q HA 0.129 4.468 4.340 -0.000 0.000 0.247 291 Q C 1.083 177.074 176.000 -0.015 0.000 0.872 291 Q CA 0.470 56.262 55.803 -0.019 0.000 0.963 291 Q CB 0.657 29.383 28.738 -0.021 0.000 1.159 291 Q HN 0.297 nan 8.270 nan 0.000 0.598 292 G N 1.273 110.063 108.800 -0.016 0.000 2.675 292 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.312 292 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.312 292 G C 0.824 175.719 174.900 -0.008 0.000 1.186 292 G CA 1.028 46.121 45.100 -0.011 0.000 0.965 292 G HN 0.542 nan 8.290 nan 0.000 0.548 293 A N -1.188 121.628 122.820 -0.006 0.000 2.070 293 A HA 0.573 4.893 4.320 -0.000 0.000 0.221 293 A C 3.256 180.837 177.584 -0.005 0.000 1.603 293 A CA 2.932 54.966 52.037 -0.004 0.000 0.639 293 A CB -1.058 17.941 19.000 -0.002 0.000 1.235 293 A HN 2.854 nan 8.150 nan 0.000 0.518 294 G N -1.175 107.622 108.800 -0.005 0.000 3.718 294 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.224 294 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.224 294 G C 0.763 175.661 174.900 -0.005 0.000 1.328 294 G CA 2.040 47.137 45.100 -0.005 0.000 0.974 294 G HN 1.965 nan 8.290 nan 0.000 0.579 295 T N -2.768 111.783 114.554 -0.005 0.000 3.150 295 T HA 0.675 5.025 4.350 -0.000 0.000 0.383 295 T C 0.215 174.913 174.700 -0.004 0.000 1.313 295 T CA 0.484 62.582 62.100 -0.004 0.000 1.235 295 T CB 1.290 70.155 68.868 -0.004 0.000 1.088 295 T HN 0.752 nan 8.240 nan 0.000 0.556 296 K N 1.564 121.962 120.400 -0.003 0.000 2.975 296 K HA -0.231 4.089 4.320 -0.000 0.000 0.257 296 K C 1.170 177.769 176.600 -0.002 0.000 1.005 296 K CA 0.734 57.020 56.287 -0.002 0.000 0.738 296 K CB -1.624 30.875 32.500 -0.003 0.000 1.236 296 K HN 1.449 nan 8.250 nan 0.000 0.483 297 G N 0.604 109.403 108.800 -0.002 0.000 2.416 297 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.301 297 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.301 297 G C 0.661 175.560 174.900 -0.003 0.000 0.985 297 G CA 0.929 46.028 45.100 -0.002 0.000 0.934 297 G HN 0.678 nan 8.290 nan 0.000 0.513 298 S N -1.235 114.462 115.700 -0.004 0.000 2.555 298 S HA -0.033 4.437 4.470 -0.000 0.000 0.230 298 S C 1.668 176.265 174.600 -0.004 0.000 0.978 298 S CA 0.890 59.087 58.200 -0.004 0.000 0.934 298 S CB -0.164 63.034 63.200 -0.004 0.000 0.766 298 S HN 0.692 nan 8.310 nan 0.000 0.533 299 N N 1.495 120.192 118.700 -0.005 0.000 2.381 299 N HA -0.039 4.701 4.740 -0.000 0.000 0.182 299 N C 1.570 177.077 175.510 -0.006 0.000 1.025 299 N CA 0.732 53.778 53.050 -0.007 0.000 0.888 299 N CB -0.119 38.362 38.487 -0.011 0.000 0.965 299 N HN 0.376 nan 8.380 nan 0.000 0.438 300 K N 1.651 122.049 120.400 -0.003 0.000 2.113 300 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 300 K C 1.609 178.210 176.600 0.001 0.000 1.047 300 K CA 1.375 57.661 56.287 -0.001 0.000 0.928 300 K CB 0.158 32.657 32.500 -0.000 0.000 0.716 300 K HN -0.060 nan 8.250 nan 0.000 0.446 301 K N 0.179 120.578 120.400 -0.000 0.000 2.228 301 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 301 K C 1.629 178.231 176.600 0.005 0.000 1.051 301 K CA 1.082 57.370 56.287 0.002 0.000 0.960 301 K CB 0.167 32.667 32.500 -0.001 0.000 0.743 301 K HN 0.079 nan 8.250 nan 0.000 0.458 302 K N -0.056 120.345 120.400 0.002 0.000 2.217 302 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 302 K C 1.817 178.420 176.600 0.005 0.000 1.051 302 K CA 0.696 56.985 56.287 0.002 0.000 0.952 302 K CB 0.003 32.501 32.500 -0.004 0.000 0.736 302 K HN 0.034 nan 8.250 nan 0.000 0.453 303 L N 0.817 122.041 121.223 0.002 0.000 2.162 303 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 303 L C 1.780 178.664 176.870 0.023 0.000 1.086 303 L CA 0.974 55.815 54.840 0.001 0.000 0.778 303 L CB 0.073 42.127 42.059 -0.007 0.000 0.928 303 L HN 0.052 nan 8.230 nan 0.000 0.446 304 L N -1.281 119.957 121.223 0.025 0.000 2.376 304 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 304 L C 2.550 179.448 176.870 0.046 0.000 1.133 304 L CA 1.016 55.878 54.840 0.037 0.000 0.816 304 L CB -0.662 41.411 42.059 0.023 0.000 0.933 304 L HN 0.349 nan 8.230 nan 0.000 0.449 305 S N 0.301 116.024 115.700 0.038 0.000 2.357 305 S HA -0.201 4.269 4.470 -0.000 0.000 0.221 305 S C 2.050 176.692 174.600 0.070 0.000 1.031 305 S CA 0.983 59.209 58.200 0.042 0.000 0.982 305 S CB -0.058 63.157 63.200 0.026 0.000 0.853 305 S HN 0.352 nan 8.310 nan 0.000 0.458 306 M N 0.558 120.205 119.600 0.079 0.000 2.159 306 M HA -0.038 4.442 4.480 -0.000 0.000 0.263 306 M C 1.868 178.317 176.300 0.249 0.000 1.063 306 M CA 1.407 56.793 55.300 0.142 0.000 1.110 306 M CB -0.375 32.270 32.600 0.075 0.000 1.374 306 M HN 0.408 nan 8.290 nan 0.000 0.411 307 L N -0.727 120.609 121.223 0.189 0.000 2.093 307 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 307 L C 2.414 179.419 176.870 0.225 0.000 1.085 307 L CA 1.040 56.023 54.840 0.237 0.000 0.755 307 L CB -0.553 41.605 42.059 0.167 0.000 0.904 307 L HN 0.250 nan 8.230 nan 0.000 0.435 308 S N -0.543 115.258 115.700 0.168 0.000 2.383 308 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 308 S C 1.511 176.244 174.600 0.222 0.000 1.026 308 S CA 1.051 59.355 58.200 0.173 0.000 0.981 308 S CB -0.265 62.989 63.200 0.090 0.000 0.818 308 S HN 0.423 nan 8.310 nan 0.000 0.472 309 D N 0.643 121.118 120.400 0.126 0.000 2.104 309 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 309 D C 0.632 176.828 176.300 -0.173 0.000 0.994 309 D CA 1.227 55.221 54.000 -0.010 0.000 0.830 309 D CB -0.224 40.496 40.800 -0.133 0.000 0.959 309 D HN 0.488 nan 8.370 nan 0.000 0.452 310 Y N 1.279 121.548 120.300 -0.051 0.000 2.596 310 Y HA 0.027 4.577 4.550 -0.000 0.000 0.316 310 Y C 1.726 177.358 175.900 -0.447 0.000 1.156 310 Y CA -0.800 57.050 58.100 -0.416 0.000 1.300 310 Y CB -0.659 37.725 38.460 -0.126 0.000 1.130 310 Y HN 0.202 nan 8.280 nan 0.000 0.518 311 W N 0.194 121.402 121.300 -0.154 0.000 2.325 311 W HA -0.333 4.327 4.660 -0.000 0.000 0.299 311 W C 1.135 177.628 176.519 -0.044 0.000 1.215 311 W CA 1.536 58.851 57.345 -0.050 0.000 1.244 311 W CB -1.535 27.933 29.460 0.014 0.000 1.140 311 W HN 0.475 nan 8.180 nan 0.000 0.523 312 Y N 0.319 119.996 120.300 -1.038 0.000 2.403 312 Y HA -0.028 4.522 4.550 -0.000 0.000 0.291 312 Y C 2.425 178.084 175.900 -0.403 0.000 1.143 312 Y CA 1.143 58.583 58.100 -1.100 0.000 1.257 312 Y CB -1.555 36.189 38.460 -1.195 0.000 0.984 312 Y HN -0.085 nan 8.280 nan 0.000 0.550 313 L N 0.331 121.326 121.223 -0.379 0.000 2.131 313 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 313 L C 2.645 179.529 176.870 0.024 0.000 1.092 313 L CA 1.709 56.454 54.840 -0.159 0.000 0.759 313 L CB -0.635 41.249 42.059 -0.292 0.000 0.903 313 L HN 0.469 nan 8.230 nan 0.000 0.435 314 S N -1.768 113.979 115.700 0.078 0.000 2.562 314 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 314 S C 0.557 175.387 174.600 0.382 0.000 0.975 314 S CA -0.428 57.916 58.200 0.240 0.000 0.918 314 S CB -0.196 63.138 63.200 0.224 0.000 0.772 314 S HN 0.416 nan 8.310 nan 0.000 0.531 315 C N 1.666 121.098 119.300 0.219 0.000 2.319 315 C HA 0.837 5.297 4.460 -0.000 0.000 0.323 315 C C 0.553 175.373 174.990 -0.284 0.000 1.277 315 C CA -0.308 58.798 59.018 0.146 0.000 1.517 315 C CB 0.108 28.008 27.740 0.267 0.000 2.206 315 C HN 0.579 nan 8.230 nan 0.000 0.486 316 G N 5.615 113.926 108.800 -0.814 0.000 2.448 316 G HA2 0.603 4.563 3.960 -0.000 0.000 0.324 316 G HA3 0.603 4.563 3.960 -0.000 0.000 0.324 316 G C -0.932 173.451 174.900 -0.860 0.000 1.203 316 G CA -0.662 43.611 45.100 -1.379 0.000 0.954 316 G HN 0.902 nan 8.290 nan 0.000 0.480 317 L N 1.494 122.340 121.223 -0.629 0.000 2.455 317 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 317 L C 0.630 177.336 176.870 -0.274 0.000 1.174 317 L CA -0.441 54.097 54.840 -0.504 0.000 0.869 317 L CB 0.848 42.375 42.059 -0.887 0.000 1.130 317 L HN 0.232 nan 8.230 nan 0.000 0.474 318 L N 4.644 125.864 121.223 -0.006 0.000 2.448 318 L HA 0.122 4.462 4.340 -0.000 0.000 0.278 318 L C -0.132 176.925 176.870 0.311 0.000 1.201 318 L CA 0.053 54.995 54.840 0.171 0.000 1.036 318 L CB -0.272 41.906 42.059 0.197 0.000 1.325 318 L HN 0.467 nan 8.230 nan 0.000 0.441 319 F N 7.336 127.350 119.950 0.108 0.000 2.445 319 F HA 0.308 4.835 4.527 -0.000 0.000 0.359 319 F C -1.642 174.189 175.800 0.052 0.000 1.101 319 F CA -1.968 56.107 58.000 0.125 0.000 1.177 319 F CB 0.843 39.871 39.000 0.047 0.000 1.110 319 F HN 0.294 nan 8.300 nan 0.000 0.522 320 P HA 0.030 nan 4.420 nan 0.000 0.276 320 P C -1.221 176.048 177.300 -0.051 0.000 1.264 320 P CA -0.288 62.691 63.100 -0.202 0.000 0.769 320 P CB 0.924 32.341 31.700 -0.471 0.000 0.840 321 K N 3.156 123.670 120.400 0.190 0.000 2.339 321 K HA 0.368 4.688 4.320 -0.000 0.000 0.286 321 K C 0.019 176.702 176.600 0.138 0.000 1.050 321 K CA -0.480 55.966 56.287 0.266 0.000 0.956 321 K CB 0.309 32.941 32.500 0.220 0.000 0.990 321 K HN 0.448 nan 8.250 nan 0.000 0.475 322 A N 5.578 128.437 122.820 0.066 0.000 2.437 322 A HA 0.158 4.477 4.320 -0.000 0.000 0.303 322 A C -0.302 177.088 177.584 -0.324 0.000 1.324 322 A CA -0.263 51.655 52.037 -0.198 0.000 0.983 322 A CB -0.123 18.719 19.000 -0.263 0.000 1.142 322 A HN 0.906 nan 8.150 nan 0.000 0.541 323 E N 1.738 121.658 120.200 -0.467 0.000 2.458 323 E HA 0.639 4.989 4.350 -0.000 0.000 0.250 323 E C -0.971 175.356 176.600 -0.454 0.000 0.883 323 E CA -1.284 54.861 56.400 -0.425 0.000 0.868 323 E CB 0.783 30.239 29.700 -0.407 0.000 1.593 323 E HN 0.326 nan 8.360 nan 0.000 0.410 324 R N 0.667 121.050 120.500 -0.195 0.000 2.296 324 R HA 0.297 4.637 4.340 -0.000 0.000 0.327 324 R C -1.262 174.927 176.300 -0.186 0.000 1.137 324 R CA -0.003 56.061 56.100 -0.060 0.000 1.020 324 R CB -0.286 30.062 30.300 0.081 0.000 1.110 324 R HN 0.331 nan 8.270 nan 0.000 0.499 325 Y N 0.324 120.676 120.300 0.087 0.000 2.403 325 Y HA 0.191 4.741 4.550 -0.000 0.000 0.323 325 Y C 0.636 176.581 175.900 0.076 0.000 1.226 325 Y CA -0.837 57.328 58.100 0.108 0.000 1.235 325 Y CB 0.954 39.519 38.460 0.175 0.000 1.248 325 Y HN 0.392 nan 8.280 nan 0.000 0.489 326 D N 1.452 121.999 120.400 0.244 0.000 2.390 326 D HA 0.055 4.695 4.640 -0.000 0.000 0.249 326 D C 0.612 176.974 176.300 0.103 0.000 1.144 326 D CA 0.156 54.222 54.000 0.110 0.000 0.880 326 D CB 1.204 42.061 40.800 0.095 0.000 1.182 326 D HN 0.535 nan 8.370 nan 0.000 0.451 327 K N 0.741 121.067 120.400 -0.124 0.000 2.097 327 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 327 K C 1.955 178.561 176.600 0.010 0.000 1.049 327 K CA 1.133 57.222 56.287 -0.330 0.000 0.933 327 K CB 0.057 32.052 32.500 -0.842 0.000 0.717 327 K HN 0.404 nan 8.250 nan 0.000 0.442 328 S N 0.235 115.952 115.700 0.029 0.000 2.402 328 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 328 S C 1.713 176.392 174.600 0.132 0.000 1.021 328 S CA 1.427 59.679 58.200 0.087 0.000 0.974 328 S CB -0.422 62.809 63.200 0.052 0.000 0.800 328 S HN 0.329 nan 8.310 nan 0.000 0.484 329 T N -3.061 111.577 114.554 0.140 0.000 3.258 329 T HA 0.218 4.568 4.350 -0.000 0.000 0.263 329 T C 0.763 175.549 174.700 0.143 0.000 0.983 329 T CA -0.740 61.433 62.100 0.121 0.000 0.907 329 T CB -0.709 68.214 68.868 0.092 0.000 1.096 329 T HN 0.601 nan 8.240 nan 0.000 0.556 330 W N 1.132 122.441 121.300 0.016 0.000 2.402 330 W HA 0.061 4.721 4.660 -0.000 0.000 0.286 330 W C 0.607 177.093 176.519 -0.055 0.000 1.221 330 W CA 0.400 57.752 57.345 0.011 0.000 1.257 330 W CB 0.102 29.696 29.460 0.224 0.000 1.120 330 W HN 0.410 nan 8.180 nan 0.000 0.551 331 L N 0.093 121.357 121.223 0.069 0.000 2.554 331 L HA 0.002 4.342 4.340 -0.000 0.000 0.225 331 L C 2.281 179.085 176.870 -0.110 0.000 1.104 331 L CA 1.232 56.032 54.840 -0.067 0.000 0.866 331 L CB -0.488 41.582 42.059 0.019 0.000 1.047 331 L HN -0.157 nan 8.230 nan 0.000 0.468 332 T N -4.130 110.388 114.554 -0.061 0.000 3.014 332 T HA 0.093 4.443 4.350 -0.000 0.000 0.250 332 T C 0.694 175.361 174.700 -0.055 0.000 1.060 332 T CA -0.080 61.996 62.100 -0.041 0.000 1.040 332 T CB 0.404 69.281 68.868 0.015 0.000 0.971 332 T HN -0.010 nan 8.240 nan 0.000 0.497 333 K N 1.233 121.570 120.400 -0.105 0.000 2.613 333 K HA 0.496 4.816 4.320 -0.000 0.000 0.248 333 K C -1.694 174.726 176.600 -0.301 0.000 0.959 333 K CA -0.317 55.910 56.287 -0.100 0.000 0.855 333 K CB 1.922 34.432 32.500 0.015 0.000 1.143 333 K HN 0.021 nan 8.250 nan 0.000 0.437 334 T N 3.423 117.812 114.554 -0.274 0.000 2.928 334 T HA 0.352 4.702 4.350 -0.000 0.000 0.296 334 T C -0.701 173.967 174.700 -0.053 0.000 1.000 334 T CA -0.666 61.190 62.100 -0.407 0.000 0.989 334 T CB 1.195 69.759 68.868 -0.507 0.000 1.005 334 T HN 0.458 nan 8.240 nan 0.000 0.442 335 R N 2.587 123.180 120.500 0.155 0.000 2.491 335 R HA 0.280 4.619 4.340 -0.000 0.000 0.283 335 R C -0.061 176.329 176.300 0.150 0.000 1.072 335 R CA -0.123 56.083 56.100 0.176 0.000 1.048 335 R CB 0.429 30.857 30.300 0.214 0.000 0.983 335 R HN 0.581 nan 8.270 nan 0.000 0.450 336 N N 2.128 120.922 118.700 0.156 0.000 2.430 336 N HA 0.323 5.062 4.740 -0.000 0.000 0.292 336 N C -0.755 174.894 175.510 0.232 0.000 1.051 336 N CA -0.450 52.712 53.050 0.188 0.000 0.917 336 N CB 1.525 40.127 38.487 0.193 0.000 1.164 336 N HN 0.285 nan 8.380 nan 0.000 0.484 337 I N 1.396 122.133 120.570 0.279 0.000 2.377 337 I HA 0.175 4.345 4.170 -0.000 0.000 0.293 337 I C -0.730 175.558 176.117 0.285 0.000 0.987 337 I CA -0.637 60.817 61.300 0.258 0.000 1.185 337 I CB 1.253 39.355 38.000 0.170 0.000 1.341 337 I HN 0.506 nan 8.210 nan 0.000 0.455 338 W N 6.614 127.972 121.300 0.096 0.000 2.360 338 W HA 0.252 4.912 4.660 -0.000 0.000 0.344 338 W C 0.081 176.619 176.519 0.032 0.000 1.025 338 W CA -0.247 57.147 57.345 0.080 0.000 1.480 338 W CB 0.876 30.390 29.460 0.089 0.000 1.350 338 W HN 0.353 nan 8.180 nan 0.000 0.382 339 S N 4.979 120.581 115.700 -0.164 0.000 2.700 339 S HA 0.381 4.851 4.470 -0.000 0.000 0.321 339 S C 0.539 174.931 174.600 -0.347 0.000 1.161 339 S CA -0.487 57.586 58.200 -0.212 0.000 1.078 339 S CB -0.261 62.797 63.200 -0.238 0.000 1.302 339 S HN 0.569 nan 8.310 nan 0.000 0.540 340 A N 5.472 128.221 122.820 -0.119 0.000 2.498 340 A HA 0.358 4.677 4.320 -0.000 0.000 0.239 340 A C -2.311 175.231 177.584 -0.071 0.000 1.068 340 A CA -1.191 50.822 52.037 -0.040 0.000 0.766 340 A CB -0.355 18.907 19.000 0.436 0.000 1.003 340 A HN 0.384 nan 8.150 nan 0.000 0.497 341 P HA -0.009 nan 4.420 nan 0.000 0.260 341 P C 1.057 178.399 177.300 0.071 0.000 1.185 341 P CA 0.799 63.898 63.100 -0.002 0.000 0.763 341 P CB 0.595 32.313 31.700 0.030 0.000 0.776 342 S N 5.240 120.975 115.700 0.057 0.000 2.392 342 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 342 S C -0.857 173.812 174.600 0.114 0.000 1.041 342 S CA 1.501 59.749 58.200 0.079 0.000 1.026 342 S CB -2.311 60.910 63.200 0.034 0.000 0.845 342 S HN 0.349 nan 8.310 nan 0.000 0.465 343 P HA -0.041 nan 4.420 nan 0.000 0.215 343 P C 1.594 178.913 177.300 0.032 0.000 1.157 343 P CA 1.641 64.775 63.100 0.056 0.000 0.868 343 P CB -0.468 31.269 31.700 0.061 0.000 0.788 344 T N -1.919 112.672 114.554 0.062 0.000 2.746 344 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 344 T C 1.720 176.540 174.700 0.199 0.000 1.039 344 T CA 1.192 63.361 62.100 0.117 0.000 1.142 344 T CB -1.040 67.918 68.868 0.151 0.000 0.866 344 T HN 0.272 nan 8.240 nan 0.000 0.444 345 H N 0.457 119.592 119.070 0.108 0.000 2.290 345 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 345 H C 2.407 177.797 175.328 0.104 0.000 1.087 345 H CA 1.579 57.696 56.048 0.114 0.000 1.291 345 H CB -0.371 29.439 29.762 0.080 0.000 1.369 345 H HN 0.169 nan 8.280 nan 0.000 0.492 346 L N 0.895 122.200 121.223 0.137 0.000 2.043 346 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 346 L C 2.529 179.443 176.870 0.074 0.000 1.075 346 L CA 1.670 56.548 54.840 0.065 0.000 0.752 346 L CB -0.534 41.558 42.059 0.056 0.000 0.891 346 L HN 0.324 nan 8.230 nan 0.000 0.432 347 M N -1.842 117.817 119.600 0.099 0.000 2.193 347 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 347 M C 2.220 178.740 176.300 0.367 0.000 1.071 347 M CA 1.407 56.806 55.300 0.166 0.000 1.140 347 M CB -0.260 32.209 32.600 -0.217 0.000 1.369 347 M HN 0.176 nan 8.290 nan 0.000 0.423 348 I N 0.375 121.151 120.570 0.342 0.000 2.286 348 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 348 I C 2.556 178.769 176.117 0.161 0.000 1.115 348 I CA 1.617 63.093 61.300 0.294 0.000 1.392 348 I CB -0.479 37.626 38.000 0.173 0.000 1.065 348 I HN 0.374 nan 8.210 nan 0.000 0.418 349 S N 0.289 116.019 115.700 0.050 0.000 2.436 349 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 349 S C 1.996 176.693 174.600 0.163 0.000 1.014 349 S CA 0.430 58.667 58.200 0.063 0.000 0.950 349 S CB -0.303 62.831 63.200 -0.109 0.000 0.784 349 S HN 0.344 nan 8.310 nan 0.000 0.504 350 M N 0.766 120.432 119.600 0.109 0.000 2.213 350 M HA 0.031 4.511 4.480 -0.000 0.000 0.263 350 M C 1.811 178.102 176.300 -0.015 0.000 1.062 350 M CA 1.404 56.724 55.300 0.033 0.000 1.105 350 M CB -0.486 32.060 32.600 -0.089 0.000 1.385 350 M HN 0.386 nan 8.290 nan 0.000 0.417 351 I N -0.918 119.665 120.570 0.023 0.000 2.333 351 I HA -0.216 3.954 4.170 -0.000 0.000 0.246 351 I C 2.474 178.817 176.117 0.377 0.000 1.106 351 I CA 1.613 62.946 61.300 0.056 0.000 1.411 351 I CB -0.387 37.664 38.000 0.085 0.000 1.082 351 I HN 0.393 nan 8.210 nan 0.000 0.420 352 T N -3.178 111.542 114.554 0.278 0.000 3.044 352 T HA -0.104 4.246 4.350 -0.000 0.000 0.237 352 T C 1.632 176.468 174.700 0.228 0.000 1.001 352 T CA -0.040 62.198 62.100 0.231 0.000 1.160 352 T CB -0.831 68.138 68.868 0.168 0.000 0.889 352 T HN 0.409 nan 8.240 nan 0.000 0.442 353 W N 3.314 124.675 121.300 0.102 0.000 2.317 353 W HA -0.020 4.640 4.660 -0.000 0.000 0.318 353 W C -1.308 175.258 176.519 0.078 0.000 1.227 353 W CA 1.856 59.251 57.345 0.082 0.000 1.269 353 W CB -1.012 28.489 29.460 0.069 0.000 1.155 353 W HN 0.297 nan 8.180 nan 0.000 0.484 354 P HA -0.169 nan 4.420 nan 0.000 0.222 354 P C 1.543 178.775 177.300 -0.112 0.000 1.147 354 P CA 1.705 64.927 63.100 0.203 0.000 0.790 354 P CB -0.119 31.779 31.700 0.329 0.000 0.780 355 V N -1.107 118.717 119.914 -0.151 0.000 2.331 355 V HA -0.151 3.969 4.120 -0.000 0.000 0.242 355 V C 2.351 178.325 176.094 -0.200 0.000 1.034 355 V CA 1.499 63.633 62.300 -0.277 0.000 1.027 355 V CB -0.959 30.665 31.823 -0.332 0.000 0.667 355 V HN 0.046 nan 8.190 nan 0.000 0.457 356 M N 0.935 120.438 119.600 -0.163 0.000 2.159 356 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 356 M C 2.560 178.772 176.300 -0.148 0.000 1.063 356 M CA 2.218 57.428 55.300 -0.150 0.000 1.110 356 M CB -1.433 31.081 32.600 -0.143 0.000 1.374 356 M HN 0.654 nan 8.290 nan 0.000 0.411 357 S N 1.781 117.234 115.700 -0.411 0.000 2.343 357 S HA -0.138 4.332 4.470 -0.000 0.000 0.219 357 S C 1.310 175.743 174.600 -0.278 0.000 1.033 357 S CA 1.463 59.342 58.200 -0.535 0.000 1.014 357 S CB -1.014 61.491 63.200 -1.159 0.000 0.915 357 S HN 0.652 nan 8.310 nan 0.000 0.435 358 N N 1.162 119.725 118.700 -0.229 0.000 2.410 358 N HA 0.086 4.826 4.740 -0.000 0.000 0.231 358 N C -0.880 174.578 175.510 -0.086 0.000 1.172 358 N CA -0.042 52.927 53.050 -0.135 0.000 0.849 358 N CB 0.033 38.453 38.487 -0.111 0.000 1.116 358 N HN 0.279 nan 8.380 nan 0.000 0.485 359 S N 1.728 117.403 115.700 -0.043 0.000 2.080 359 S HA 0.283 4.753 4.470 -0.000 0.000 0.162 359 S C -2.555 172.110 174.600 0.108 0.000 1.618 359 S CA -0.824 57.388 58.200 0.020 0.000 1.200 359 S CB 1.354 64.558 63.200 0.006 0.000 1.135 359 S HN 0.293 nan 8.310 nan 0.000 0.455 360 P HA 0.297 nan 4.420 nan 0.000 0.208 360 P C -1.030 176.297 177.300 0.045 0.000 1.837 360 P CA -0.477 62.624 63.100 0.003 0.000 0.953 360 P CB -0.261 31.405 31.700 -0.056 0.000 1.870 361 N N 2.636 121.399 118.700 0.105 0.000 2.444 361 N HA 0.248 4.988 4.740 -0.000 0.000 0.262 361 N C 0.023 175.608 175.510 0.125 0.000 0.974 361 N CA -0.284 52.822 53.050 0.094 0.000 0.933 361 N CB 1.449 39.983 38.487 0.079 0.000 1.137 361 N HN 0.291 nan 8.380 nan 0.000 0.498 362 N N -1.304 117.455 118.700 0.098 0.000 3.387 362 N HA 0.183 4.923 4.740 -0.000 0.000 0.322 362 N C 0.326 175.863 175.510 0.045 0.000 1.588 362 N CA -0.903 52.208 53.050 0.101 0.000 0.778 362 N CB 0.351 38.914 38.487 0.127 0.000 1.883 362 N HN -0.013 nan 8.380 nan 0.000 0.628 363 V N -0.026 119.877 119.914 -0.018 0.000 2.720 363 V HA 0.001 4.121 4.120 -0.000 0.000 0.256 363 V C 1.480 177.542 176.094 -0.054 0.000 1.082 363 V CA 1.468 63.709 62.300 -0.099 0.000 1.101 363 V CB -0.952 30.661 31.823 -0.350 0.000 0.693 363 V HN 0.538 nan 8.190 nan 0.000 0.479 364 L N 1.198 122.410 121.223 -0.018 0.000 2.478 364 L HA 0.039 4.379 4.340 -0.000 0.000 0.223 364 L C 1.518 178.414 176.870 0.044 0.000 1.140 364 L CA 1.259 56.112 54.840 0.022 0.000 0.842 364 L CB -0.352 41.744 42.059 0.061 0.000 0.953 364 L HN 0.668 nan 8.230 nan 0.000 0.452 365 N N -1.073 117.654 118.700 0.045 0.000 2.081 365 N HA 0.176 4.916 4.740 -0.000 0.000 0.230 365 N C -0.295 175.245 175.510 0.051 0.000 1.351 365 N CA -0.133 52.946 53.050 0.048 0.000 0.840 365 N CB 0.411 38.924 38.487 0.043 0.000 1.189 365 N HN 0.076 nan 8.380 nan 0.000 0.503 366 I N 0.934 121.538 120.570 0.056 0.000 2.534 366 I HA 0.227 4.397 4.170 -0.000 0.000 0.288 366 I C -0.547 175.616 176.117 0.076 0.000 1.077 366 I CA -0.753 60.584 61.300 0.062 0.000 1.051 366 I CB 2.288 40.326 38.000 0.062 0.000 1.234 366 I HN -0.136 nan 8.210 nan 0.000 0.425 367 E N 4.075 124.322 120.200 0.079 0.000 2.376 367 E HA 0.168 4.518 4.350 -0.000 0.000 0.266 367 E C 1.072 177.734 176.600 0.102 0.000 1.009 367 E CA 0.963 57.421 56.400 0.096 0.000 0.902 367 E CB 0.915 30.663 29.700 0.081 0.000 0.972 367 E HN 0.958 nan 8.360 nan 0.000 0.439 368 G N 2.655 111.535 108.800 0.135 0.000 2.267 368 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.257 368 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.257 368 G C 0.619 175.600 174.900 0.136 0.000 0.998 368 G CA 0.233 45.416 45.100 0.138 0.000 0.620 368 G HN 0.677 nan 8.290 nan 0.000 0.529 369 C N 3.253 122.620 119.300 0.112 0.000 2.648 369 C HA 0.571 5.031 4.460 -0.000 0.000 0.415 369 C C -0.013 175.025 174.990 0.081 0.000 1.366 369 C CA -0.536 58.538 59.018 0.094 0.000 1.756 369 C CB 0.690 28.477 27.740 0.078 0.000 2.549 369 C HN 0.387 nan 8.230 nan 0.000 0.597 370 P HA 0.088 nan 4.420 nan 0.000 0.267 370 P C 0.302 177.632 177.300 0.051 0.000 1.289 370 P CA 0.291 63.429 63.100 0.064 0.000 0.866 370 P CB 0.014 31.785 31.700 0.118 0.000 1.309 371 S N 0.394 116.160 115.700 0.109 0.000 2.576 371 S HA 0.244 4.714 4.470 -0.000 0.000 0.276 371 S C 0.775 175.495 174.600 0.199 0.000 1.339 371 S CA -0.323 58.008 58.200 0.217 0.000 1.039 371 S CB 0.039 63.385 63.200 0.244 0.000 0.902 371 S HN -0.004 nan 8.310 nan 0.000 0.516 372 L N 3.725 125.172 121.223 0.373 0.000 2.808 372 L HA 0.302 4.642 4.340 -0.000 0.000 0.246 372 L C -0.203 177.085 176.870 0.697 0.000 1.153 372 L CA -0.361 54.726 54.840 0.412 0.000 0.956 372 L CB -0.029 42.257 42.059 0.379 0.000 1.270 372 L HN 0.728 nan 8.230 nan 0.000 0.528 373 Y N 2.579 123.158 120.300 0.466 0.000 2.632 373 Y HA -0.065 4.485 4.550 -0.000 0.000 0.329 373 Y C 1.118 177.178 175.900 0.266 0.000 1.174 373 Y CA 0.038 58.340 58.100 0.337 0.000 1.469 373 Y CB 0.090 38.625 38.460 0.125 0.000 1.242 373 Y HN 0.108 nan 8.280 nan 0.000 0.540 374 K N 3.820 123.987 120.400 -0.387 0.000 3.341 374 K HA -0.298 4.022 4.320 -0.000 0.000 0.305 374 K C -0.321 176.228 176.600 -0.086 0.000 1.270 374 K CA 0.784 56.823 56.287 -0.413 0.000 0.897 374 K CB -2.079 30.052 32.500 -0.615 0.000 1.264 374 K HN 0.553 nan 8.250 nan 0.000 0.468 375 F N 2.504 122.429 119.950 -0.041 0.000 2.495 375 F HA 0.289 4.816 4.527 -0.000 0.000 0.365 375 F C 0.122 175.867 175.800 -0.091 0.000 1.090 375 F CA -0.331 57.639 58.000 -0.050 0.000 1.235 375 F CB 0.497 39.489 39.000 -0.015 0.000 1.119 375 F HN 0.097 nan 8.300 nan 0.000 0.562 376 N N 7.320 125.482 118.700 -0.897 0.000 2.461 376 N HA 0.438 5.178 4.740 -0.000 0.000 0.284 376 N C -2.223 172.655 175.510 -1.053 0.000 1.049 376 N CA -1.966 50.531 53.050 -0.923 0.000 0.889 376 N CB 2.108 40.394 38.487 -0.335 0.000 1.365 376 N HN 0.274 nan 8.380 nan 0.000 0.499 377 P HA -0.035 nan 4.420 nan 0.000 0.221 377 P C 0.096 176.970 177.300 -0.711 0.000 1.150 377 P CA 0.811 63.300 63.100 -1.019 0.000 0.800 377 P CB 0.134 30.942 31.700 -1.486 0.000 0.787 378 F N 0.206 119.888 119.950 -0.448 0.000 2.266 378 F HA 0.239 4.766 4.527 -0.000 0.000 0.287 378 F C 2.124 177.792 175.800 -0.221 0.000 1.255 378 F CA -0.167 57.649 58.000 -0.307 0.000 1.201 378 F CB -0.536 38.285 39.000 -0.299 0.000 1.450 378 F HN -0.224 nan 8.300 nan 0.000 0.510 379 R N -0.265 120.218 120.500 -0.028 0.000 4.023 379 R HA -0.246 4.094 4.340 -0.000 0.000 0.368 379 R C 0.911 177.188 176.300 -0.039 0.000 1.187 379 R CA 1.018 57.065 56.100 -0.089 0.000 1.089 379 R CB -2.255 28.006 30.300 -0.064 0.000 1.574 379 R HN 1.235 nan 8.270 nan 0.000 0.564 380 G N -2.755 106.029 108.800 -0.027 0.000 2.229 380 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.189 380 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.189 380 G C 0.908 175.821 174.900 0.022 0.000 1.000 380 G CA 0.516 45.616 45.100 -0.001 0.000 0.663 380 G HN 0.581 nan 8.290 nan 0.000 0.493 381 G N 0.885 109.687 108.800 0.004 0.000 2.446 381 G HA2 0.018 3.978 3.960 -0.000 0.000 0.217 381 G HA3 0.018 3.978 3.960 -0.000 0.000 0.217 381 G C 1.766 176.787 174.900 0.201 0.000 1.168 381 G CA 1.790 46.949 45.100 0.098 0.000 0.771 381 G HN 1.065 nan 8.290 nan 0.000 0.551 382 L N 1.098 122.363 121.223 0.070 0.000 2.027 382 L HA 0.033 4.373 4.340 -0.000 0.000 0.206 382 L C 2.427 179.324 176.870 0.045 0.000 1.074 382 L CA 2.402 57.281 54.840 0.066 0.000 0.745 382 L CB -0.860 41.170 42.059 -0.048 0.000 0.898 382 L HN 0.337 nan 8.230 nan 0.000 0.433 383 N N -0.232 118.521 118.700 0.089 0.000 2.069 383 N HA -0.311 4.428 4.740 -0.000 0.000 0.196 383 N C 2.060 177.637 175.510 0.112 0.000 1.024 383 N CA 2.186 55.335 53.050 0.165 0.000 0.869 383 N CB -0.169 38.422 38.487 0.173 0.000 1.035 383 N HN 0.305 nan 8.380 nan 0.000 0.434 384 R N -0.671 119.881 120.500 0.087 0.000 2.091 384 R HA -0.083 4.257 4.340 -0.000 0.000 0.238 384 R C 2.135 178.479 176.300 0.072 0.000 1.136 384 R CA 1.622 57.772 56.100 0.083 0.000 0.959 384 R CB -0.385 29.959 30.300 0.073 0.000 0.856 384 R HN 0.330 nan 8.270 nan 0.000 0.437 385 I N -0.118 120.442 120.570 -0.017 0.000 2.252 385 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 385 I C 2.170 178.318 176.117 0.051 0.000 1.102 385 I CA 1.056 62.329 61.300 -0.046 0.000 1.385 385 I CB -0.195 37.630 38.000 -0.291 0.000 1.064 385 I HN -0.065 nan 8.210 nan 0.000 0.414 386 V N 0.225 120.088 119.914 -0.086 0.000 2.343 386 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 386 V C 2.355 178.380 176.094 -0.116 0.000 1.051 386 V CA 1.822 63.977 62.300 -0.242 0.000 1.036 386 V CB -0.739 30.725 31.823 -0.599 0.000 0.654 386 V HN 0.456 nan 8.190 nan 0.000 0.451 387 E N -1.206 119.006 120.200 0.020 0.000 2.106 387 E HA -0.269 4.080 4.350 -0.000 0.000 0.192 387 E C 1.934 178.606 176.600 0.120 0.000 0.984 387 E CA 1.549 58.000 56.400 0.086 0.000 0.806 387 E CB -0.201 29.575 29.700 0.126 0.000 0.750 387 E HN 0.803 nan 8.360 nan 0.000 0.458 388 W N 1.583 122.869 121.300 -0.022 0.000 2.358 388 W HA -0.157 4.502 4.660 -0.000 0.000 0.303 388 W C 1.791 178.322 176.519 0.020 0.000 1.208 388 W CA 1.375 58.723 57.345 0.005 0.000 1.274 388 W CB -0.159 29.304 29.460 0.004 0.000 1.138 388 W HN -0.077 nan 8.180 nan 0.000 0.515 389 I N 0.359 121.043 120.570 0.189 0.000 2.179 389 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 389 I C 2.430 178.485 176.117 -0.103 0.000 1.088 389 I CA 1.401 62.713 61.300 0.020 0.000 1.357 389 I CB -0.924 37.127 38.000 0.084 0.000 1.051 389 I HN -0.019 nan 8.210 nan 0.000 0.409 390 L N 0.865 122.047 121.223 -0.069 0.000 2.131 390 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 390 L C 1.614 178.439 176.870 -0.075 0.000 1.092 390 L CA 0.103 54.907 54.840 -0.061 0.000 0.759 390 L CB -0.631 41.412 42.059 -0.027 0.000 0.903 390 L HN 0.223 nan 8.230 nan 0.000 0.435 391 A N 0.823 123.581 122.820 -0.104 0.000 2.587 391 A HA 0.023 4.343 4.320 -0.000 0.000 0.235 391 A C -1.188 176.311 177.584 -0.142 0.000 1.044 391 A CA -0.652 51.314 52.037 -0.118 0.000 0.754 391 A CB -0.316 18.591 19.000 -0.155 0.000 0.968 391 A HN 0.094 nan 8.150 nan 0.000 0.509 392 P HA -0.058 nan 4.420 nan 0.000 0.223 392 P C 0.152 177.390 177.300 -0.104 0.000 1.151 392 P CA 0.583 63.632 63.100 -0.084 0.000 0.787 392 P CB 0.015 31.681 31.700 -0.057 0.000 0.788 393 E N 1.368 121.490 120.200 -0.130 0.000 2.529 393 E HA 0.006 4.356 4.350 -0.000 0.000 0.259 393 E C 0.519 177.032 176.600 -0.145 0.000 0.966 393 E CA 0.895 57.217 56.400 -0.129 0.000 0.937 393 E CB -0.099 29.517 29.700 -0.139 0.000 0.923 393 E HN 0.451 nan 8.360 nan 0.000 0.468 394 E N 1.674 121.815 120.200 -0.099 0.000 2.388 394 E HA 0.464 4.814 4.350 -0.000 0.000 0.281 394 E C -2.726 173.825 176.600 -0.081 0.000 1.046 394 E CA -1.835 54.520 56.400 -0.076 0.000 0.825 394 E CB 0.502 30.156 29.700 -0.076 0.000 1.243 394 E HN 0.118 nan 8.360 nan 0.000 0.438 395 P HA 0.258 nan 4.420 nan 0.000 0.278 395 P C -1.344 176.085 177.300 0.216 0.000 1.238 395 P CA -0.502 62.675 63.100 0.128 0.000 0.794 395 P CB 0.546 32.437 31.700 0.318 0.000 0.955 396 K N 0.351 120.937 120.400 0.310 0.000 2.482 396 K HA 0.907 5.226 4.320 -0.000 0.000 0.257 396 K C -1.448 175.455 176.600 0.506 0.000 0.969 396 K CA -1.169 55.344 56.287 0.375 0.000 0.842 396 K CB 2.368 34.943 32.500 0.125 0.000 1.359 396 K HN 0.371 nan 8.250 nan 0.000 0.441 397 A N 1.346 124.489 122.820 0.539 0.000 2.430 397 A HA 0.801 5.121 4.320 -0.000 0.000 0.300 397 A C -1.735 176.016 177.584 0.278 0.000 1.124 397 A CA -0.828 51.394 52.037 0.308 0.000 0.766 397 A CB 1.421 20.529 19.000 0.181 0.000 1.328 397 A HN 0.482 nan 8.150 nan 0.000 0.424 398 L N 0.538 121.828 121.223 0.112 0.000 2.431 398 L HA 0.696 5.036 4.340 -0.000 0.000 0.266 398 L C -1.014 175.895 176.870 0.066 0.000 0.978 398 L CA -0.319 54.542 54.840 0.035 0.000 0.822 398 L CB 2.292 44.330 42.059 -0.035 0.000 1.310 398 L HN 0.539 nan 8.230 nan 0.000 0.409 399 V N 2.961 122.913 119.914 0.064 0.000 2.709 399 V HA 0.547 4.667 4.120 -0.000 0.000 0.308 399 V C -1.574 174.609 176.094 0.148 0.000 1.062 399 V CA -0.868 61.420 62.300 -0.020 0.000 0.901 399 V CB 1.816 33.513 31.823 -0.210 0.000 1.003 399 V HN 0.630 nan 8.190 nan 0.000 0.425 400 Y N 3.352 123.646 120.300 -0.010 0.000 2.307 400 Y HA 0.641 5.191 4.550 -0.000 0.000 0.323 400 Y C 0.450 176.422 175.900 0.120 0.000 1.100 400 Y CA 0.368 58.607 58.100 0.232 0.000 1.140 400 Y CB 1.427 40.112 38.460 0.375 0.000 1.159 400 Y HN 1.278 nan 8.280 nan 0.000 0.436 401 A N 3.201 126.024 122.820 0.005 0.000 5.395 401 A HA -0.376 3.944 4.320 -0.000 0.000 0.332 401 A C 1.334 178.859 177.584 -0.099 0.000 1.754 401 A CA 2.057 54.060 52.037 -0.058 0.000 0.716 401 A CB -1.556 17.633 19.000 0.315 0.000 1.411 401 A HN 0.968 nan 8.150 nan 0.000 0.398 402 D N 1.398 121.805 120.400 0.012 0.000 2.358 402 D HA 0.022 4.662 4.640 -0.000 0.000 0.241 402 D C -0.103 176.155 176.300 -0.071 0.000 1.094 402 D CA 0.692 54.667 54.000 -0.042 0.000 0.907 402 D CB -0.959 39.845 40.800 0.006 0.000 0.893 402 D HN 0.495 nan 8.370 nan 0.000 0.528 403 N N 0.949 119.604 118.700 -0.075 0.000 2.372 403 N HA 0.379 5.119 4.740 -0.000 0.000 0.291 403 N C -0.484 174.813 175.510 -0.354 0.000 1.024 403 N CA -0.493 52.418 53.050 -0.232 0.000 0.873 403 N CB 2.319 40.673 38.487 -0.221 0.000 1.206 403 N HN 0.060 nan 8.380 nan 0.000 0.486 404 I N 2.632 122.916 120.570 -0.477 0.000 2.411 404 I HA 0.253 4.423 4.170 -0.000 0.000 0.284 404 I C -0.922 174.840 176.117 -0.591 0.000 1.012 404 I CA -0.696 60.338 61.300 -0.444 0.000 1.119 404 I CB 0.668 38.445 38.000 -0.371 0.000 1.261 404 I HN 0.336 nan 8.210 nan 0.000 0.448 405 Y N 6.788 126.933 120.300 -0.259 0.000 2.341 405 Y HA 0.584 5.134 4.550 -0.000 0.000 0.340 405 Y C 0.102 175.735 175.900 -0.446 0.000 0.997 405 Y CA -0.522 57.298 58.100 -0.468 0.000 1.149 405 Y CB 1.073 39.245 38.460 -0.480 0.000 1.171 405 Y HN 0.348 nan 8.280 nan 0.000 0.494 406 I N 4.077 124.411 120.570 -0.394 0.000 2.545 406 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 406 I C -1.028 175.039 176.117 -0.084 0.000 1.040 406 I CA -1.201 59.951 61.300 -0.246 0.000 1.068 406 I CB 2.113 39.807 38.000 -0.510 0.000 1.251 406 I HN 0.363 nan 8.210 nan 0.000 0.424 407 V N 6.286 126.274 119.914 0.123 0.000 2.435 407 V HA 0.608 4.728 4.120 -0.000 0.000 0.290 407 V C -1.220 175.045 176.094 0.285 0.000 1.030 407 V CA 0.073 62.507 62.300 0.225 0.000 0.881 407 V CB 1.460 33.431 31.823 0.246 0.000 0.983 407 V HN 0.836 nan 8.190 nan 0.000 0.445 408 H N 3.886 123.085 119.070 0.214 0.000 3.087 408 H HA 0.290 4.846 4.556 -0.000 0.000 0.348 408 H C 0.067 175.508 175.328 0.188 0.000 1.092 408 H CA 0.367 56.537 56.048 0.204 0.000 1.285 408 H CB 2.033 31.913 29.762 0.197 0.000 1.875 408 H HN 0.977 nan 8.280 nan 0.000 0.512 409 S N 3.568 119.261 115.700 -0.012 0.000 3.549 409 S HA -0.296 4.174 4.470 -0.000 0.000 0.366 409 S C 0.737 175.401 174.600 0.107 0.000 1.012 409 S CA 1.168 59.415 58.200 0.078 0.000 1.141 409 S CB -1.488 61.853 63.200 0.234 0.000 0.910 409 S HN 0.887 nan 8.310 nan 0.000 0.471 410 N N -0.525 118.220 118.700 0.075 0.000 2.735 410 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 410 N C -0.724 174.829 175.510 0.071 0.000 1.083 410 N CA 1.629 54.717 53.050 0.062 0.000 0.703 410 N CB -1.217 37.289 38.487 0.032 0.000 1.005 410 N HN 0.678 nan 8.380 nan 0.000 0.550 411 T N 0.110 114.723 114.554 0.097 0.000 2.841 411 T HA 0.224 4.574 4.350 -0.000 0.000 0.285 411 T C -0.560 174.119 174.700 -0.036 0.000 0.991 411 T CA -0.622 61.455 62.100 -0.039 0.000 0.966 411 T CB 1.242 69.987 68.868 -0.205 0.000 0.962 411 T HN 0.306 nan 8.240 nan 0.000 0.438 412 W N 4.745 125.915 121.300 -0.217 0.000 2.266 412 W HA 0.418 5.078 4.660 -0.000 0.000 0.317 412 W C -1.831 174.519 176.519 -0.282 0.000 1.310 412 W CA -0.475 56.800 57.345 -0.117 0.000 1.207 412 W CB 0.356 29.787 29.460 -0.048 0.000 1.199 412 W HN 0.657 nan 8.180 nan 0.000 0.544 413 Y N 3.676 123.664 120.300 -0.521 0.000 2.361 413 Y HA 0.162 4.712 4.550 -0.000 0.000 0.337 413 Y C 0.183 175.743 175.900 -0.567 0.000 0.965 413 Y CA -0.645 57.198 58.100 -0.428 0.000 1.091 413 Y CB 2.158 40.383 38.460 -0.393 0.000 1.182 413 Y HN 0.226 nan 8.280 nan 0.000 0.450 414 S N 5.044 120.665 115.700 -0.132 0.000 2.520 414 S HA 0.629 5.099 4.470 -0.000 0.000 0.324 414 S C -0.897 173.625 174.600 -0.130 0.000 1.069 414 S CA -0.373 57.767 58.200 -0.099 0.000 1.121 414 S CB -0.282 63.025 63.200 0.178 0.000 0.971 414 S HN 0.562 nan 8.310 nan 0.000 0.463 415 I N 4.430 124.833 120.570 -0.278 0.000 2.404 415 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 415 I C -0.453 175.549 176.117 -0.190 0.000 0.992 415 I CA -0.591 60.602 61.300 -0.178 0.000 1.149 415 I CB 1.700 39.580 38.000 -0.200 0.000 1.315 415 I HN 0.503 nan 8.210 nan 0.000 0.446 416 D N 6.197 126.560 120.400 -0.061 0.000 2.350 416 D HA 0.535 5.175 4.640 -0.000 0.000 0.238 416 D C -0.598 175.726 176.300 0.040 0.000 0.989 416 D CA -0.414 53.566 54.000 -0.035 0.000 0.921 416 D CB 2.408 43.208 40.800 0.001 0.000 1.297 416 D HN 0.209 nan 8.370 nan 0.000 0.490 417 L N 0.894 122.133 121.223 0.027 0.000 2.292 417 L HA 0.239 4.579 4.340 -0.000 0.000 0.284 417 L C 0.909 177.810 176.870 0.052 0.000 1.065 417 L CA -0.586 54.296 54.840 0.070 0.000 0.806 417 L CB 0.701 42.770 42.059 0.016 0.000 1.175 417 L HN 0.132 nan 8.230 nan 0.000 0.431 418 E N 3.172 123.401 120.200 0.050 0.000 2.585 418 E HA -0.083 4.267 4.350 -0.000 0.000 0.252 418 E C -0.318 176.299 176.600 0.029 0.000 0.981 418 E CA 0.127 56.543 56.400 0.027 0.000 0.943 418 E CB 0.194 29.893 29.700 -0.001 0.000 0.923 418 E HN 0.281 nan 8.360 nan 0.000 0.486 419 K N 1.442 121.866 120.400 0.040 0.000 4.444 419 K HA -0.208 4.112 4.320 -0.000 0.000 0.281 419 K C 0.174 176.796 176.600 0.037 0.000 0.817 419 K CA 0.646 56.963 56.287 0.049 0.000 0.793 419 K CB -1.256 31.278 32.500 0.056 0.000 1.784 419 K HN 0.672 nan 8.250 nan 0.000 0.424 420 G N 1.073 109.893 108.800 0.033 0.000 2.664 420 G HA2 0.261 4.221 3.960 -0.000 0.000 0.242 420 G HA3 0.261 4.221 3.960 -0.000 0.000 0.242 420 G C 0.228 175.141 174.900 0.022 0.000 1.225 420 G CA 0.069 45.174 45.100 0.009 0.000 0.849 420 G HN 0.591 nan 8.290 nan 0.000 0.581 421 E N -1.913 118.287 120.200 0.000 0.000 4.155 421 E HA -0.244 4.106 4.350 -0.000 0.000 0.367 421 E C 1.074 177.679 176.600 0.009 0.000 0.631 421 E CA 1.897 58.300 56.400 0.005 0.000 1.351 421 E CB -1.832 27.883 29.700 0.025 0.000 1.759 421 E HN 0.914 nan 8.360 nan 0.000 0.401 422 A N -0.566 122.268 122.820 0.022 0.000 2.312 422 A HA 0.239 4.559 4.320 -0.000 0.000 0.215 422 A C 1.459 179.062 177.584 0.031 0.000 1.256 422 A CA 0.198 52.263 52.037 0.047 0.000 0.966 422 A CB 0.258 19.300 19.000 0.070 0.000 1.053 422 A HN 0.115 nan 8.150 nan 0.000 0.510 423 N N -0.222 118.479 118.700 0.002 0.000 2.494 423 N HA -0.032 4.708 4.740 -0.000 0.000 0.182 423 N C 0.296 175.794 175.510 -0.020 0.000 1.076 423 N CA 0.391 53.432 53.050 -0.014 0.000 0.908 423 N CB -0.209 38.252 38.487 -0.043 0.000 0.967 423 N HN 0.446 nan 8.380 nan 0.000 0.449 424 C N 2.692 121.980 119.300 -0.021 0.000 2.576 424 C HA 0.265 4.725 4.460 -0.000 0.000 0.401 424 C C 1.306 176.364 174.990 0.112 0.000 1.314 424 C CA -0.470 58.554 59.018 0.011 0.000 1.855 424 C CB -0.918 26.803 27.740 -0.033 0.000 2.537 424 C HN 0.438 nan 8.230 nan 0.000 0.578 425 T N 3.750 118.475 114.554 0.285 0.000 2.881 425 T HA 0.333 4.683 4.350 -0.000 0.000 0.278 425 T C 1.306 176.034 174.700 0.047 0.000 0.982 425 T CA -0.544 61.622 62.100 0.109 0.000 0.989 425 T CB 0.698 69.561 68.868 -0.007 0.000 1.058 425 T HN 0.773 nan 8.240 nan 0.000 0.529 426 R N 0.108 120.604 120.500 -0.006 0.000 2.105 426 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 426 R C 2.534 178.833 176.300 -0.002 0.000 1.135 426 R CA 1.824 57.916 56.100 -0.014 0.000 0.967 426 R CB -0.298 29.989 30.300 -0.022 0.000 0.861 426 R HN 0.697 nan 8.270 nan 0.000 0.442 427 Q N -1.154 118.626 119.800 -0.033 0.000 2.187 427 Q HA -0.076 4.264 4.340 -0.000 0.000 0.199 427 Q C 1.861 177.861 176.000 -0.001 0.000 0.957 427 Q CA 0.856 56.648 55.803 -0.018 0.000 0.857 427 Q CB -0.070 28.616 28.738 -0.087 0.000 0.929 427 Q HN 0.396 nan 8.270 nan 0.000 0.453 428 H N -0.047 119.017 119.070 -0.011 0.000 2.357 428 H HA -0.183 4.372 4.556 -0.000 0.000 0.296 428 H C 1.886 177.205 175.328 -0.015 0.000 1.108 428 H CA 1.811 57.836 56.048 -0.037 0.000 1.273 428 H CB -0.186 29.534 29.762 -0.070 0.000 1.367 428 H HN 0.337 nan 8.280 nan 0.000 0.498 429 M N 0.921 120.589 119.600 0.113 0.000 2.156 429 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 429 M C 2.505 178.841 176.300 0.059 0.000 1.067 429 M CA 1.671 57.003 55.300 0.053 0.000 1.131 429 M CB -0.000 32.605 32.600 0.009 0.000 1.368 429 M HN 0.276 nan 8.290 nan 0.000 0.416 430 Q N -0.062 119.781 119.800 0.072 0.000 2.291 430 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 430 Q C 1.653 177.723 176.000 0.116 0.000 0.976 430 Q CA 1.551 57.394 55.803 0.067 0.000 0.875 430 Q CB -0.521 28.265 28.738 0.079 0.000 0.927 430 Q HN 0.566 nan 8.270 nan 0.000 0.450 431 A N 1.244 124.209 122.820 0.242 0.000 1.929 431 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 431 A C 2.383 180.110 177.584 0.239 0.000 1.176 431 A CA 1.338 53.566 52.037 0.319 0.000 0.628 431 A CB -0.847 18.307 19.000 0.257 0.000 0.816 431 A HN 0.564 nan 8.150 nan 0.000 0.444 432 A N -0.999 121.909 122.820 0.147 0.000 1.897 432 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 432 A C 2.148 179.824 177.584 0.153 0.000 1.181 432 A CA 1.739 53.847 52.037 0.118 0.000 0.620 432 A CB -0.451 18.565 19.000 0.027 0.000 0.821 432 A HN 0.385 nan 8.150 nan 0.000 0.443 433 M N -1.643 118.014 119.600 0.094 0.000 2.159 433 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 433 M C 2.115 178.432 176.300 0.029 0.000 1.063 433 M CA 1.469 56.796 55.300 0.046 0.000 1.110 433 M CB -1.328 31.266 32.600 -0.010 0.000 1.374 433 M HN 0.667 nan 8.290 nan 0.000 0.411 434 Y N 0.168 120.411 120.300 -0.096 0.000 2.070 434 Y HA -0.359 4.190 4.550 -0.000 0.000 0.280 434 Y C 2.543 178.435 175.900 -0.013 0.000 1.148 434 Y CA 2.305 60.320 58.100 -0.140 0.000 1.125 434 Y CB -1.072 37.232 38.460 -0.259 0.000 0.975 434 Y HN 0.247 nan 8.280 nan 0.000 0.492 435 Y N 0.618 121.015 120.300 0.161 0.000 2.053 435 Y HA -0.352 4.198 4.550 -0.000 0.000 0.277 435 Y C 2.305 178.171 175.900 -0.057 0.000 1.159 435 Y CA 2.422 60.562 58.100 0.066 0.000 1.125 435 Y CB -0.625 37.892 38.460 0.095 0.000 0.969 435 Y HN 0.166 nan 8.280 nan 0.000 0.492 436 I N 0.382 120.969 120.570 0.028 0.000 2.194 436 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 436 I C 2.497 178.569 176.117 -0.075 0.000 1.093 436 I CA 1.671 62.939 61.300 -0.054 0.000 1.355 436 I CB -1.601 36.456 38.000 0.094 0.000 1.046 436 I HN 0.417 nan 8.210 nan 0.000 0.413 437 L N 0.270 121.452 121.223 -0.069 0.000 2.027 437 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 437 L C 2.770 179.587 176.870 -0.088 0.000 1.074 437 L CA 1.982 56.784 54.840 -0.064 0.000 0.745 437 L CB -0.964 40.836 42.059 -0.432 0.000 0.898 437 L HN 0.360 nan 8.230 nan 0.000 0.433 438 T N -1.420 112.954 114.554 -0.300 0.000 2.788 438 T HA -0.195 4.154 4.350 -0.000 0.000 0.268 438 T C 1.488 176.064 174.700 -0.207 0.000 1.044 438 T CA 1.016 62.942 62.100 -0.289 0.000 1.139 438 T CB -0.267 68.242 68.868 -0.600 0.000 0.867 438 T HN 0.454 nan 8.240 nan 0.000 0.454 439 R N 0.441 120.746 120.500 -0.324 0.000 2.629 439 R HA 0.543 4.883 4.340 -0.000 0.000 0.386 439 R C 1.453 177.561 176.300 -0.320 0.000 1.071 439 R CA 0.141 56.055 56.100 -0.310 0.000 1.104 439 R CB 0.374 30.449 30.300 -0.375 0.000 1.370 439 R HN 0.407 nan 8.270 nan 0.000 0.574 440 G N 0.320 108.946 108.800 -0.290 0.000 2.775 440 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.198 440 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.198 440 G C -0.021 174.575 174.900 -0.506 0.000 1.121 440 G CA -0.238 44.612 45.100 -0.416 0.000 0.686 440 G HN 0.274 nan 8.290 nan 0.000 0.782 441 W N 2.334 123.588 121.300 -0.077 0.000 2.937 441 W HA 0.681 5.341 4.660 -0.000 0.000 0.435 441 W C -0.016 176.547 176.519 0.072 0.000 0.912 441 W CA -0.418 56.932 57.345 0.009 0.000 2.209 441 W CB 0.621 30.109 29.460 0.046 0.000 1.144 441 W HN -0.061 nan 8.180 nan 0.000 0.762 442 S N 0.497 116.265 115.700 0.114 0.000 2.677 442 S HA 0.096 4.566 4.470 -0.000 0.000 0.283 442 S C -1.353 173.235 174.600 -0.019 0.000 1.159 442 S CA -0.757 57.474 58.200 0.052 0.000 1.001 442 S CB 1.618 64.850 63.200 0.053 0.000 1.032 442 S HN 0.111 nan 8.310 nan 0.000 0.487 443 D N 2.781 123.162 120.400 -0.031 0.000 2.339 443 D HA 0.198 4.838 4.640 -0.000 0.000 0.241 443 D C 0.587 176.871 176.300 -0.027 0.000 1.183 443 D CA 0.074 54.053 54.000 -0.035 0.000 0.859 443 D CB 0.107 40.882 40.800 -0.043 0.000 1.067 443 D HN 0.587 nan 8.370 nan 0.000 0.484 444 N N 3.784 122.474 118.700 -0.016 0.000 2.705 444 N HA -0.289 4.451 4.740 -0.000 0.000 0.255 444 N C 0.851 176.366 175.510 0.008 0.000 1.008 444 N CA 0.963 54.014 53.050 0.001 0.000 0.742 444 N CB -0.959 37.532 38.487 0.007 0.000 0.906 444 N HN 0.929 nan 8.380 nan 0.000 0.541 445 G N -0.442 108.359 108.800 0.002 0.000 2.299 445 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.237 445 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.237 445 G C -0.223 174.646 174.900 -0.051 0.000 1.027 445 G CA 0.436 45.537 45.100 0.002 0.000 0.619 445 G HN 0.567 nan 8.290 nan 0.000 0.513 446 D N 3.264 123.626 120.400 -0.064 0.000 2.312 446 D HA 0.438 5.078 4.640 -0.000 0.000 0.252 446 D C -2.004 174.211 176.300 -0.142 0.000 1.150 446 D CA -0.950 52.981 54.000 -0.115 0.000 0.870 446 D CB 1.584 42.323 40.800 -0.102 0.000 1.153 446 D HN 0.213 nan 8.370 nan 0.000 0.457 447 P HA 0.117 nan 4.420 nan 0.000 0.271 447 P C -0.367 176.658 177.300 -0.459 0.000 1.216 447 P CA -0.200 62.618 63.100 -0.469 0.000 0.771 447 P CB 0.727 31.907 31.700 -0.867 0.000 0.864 448 M N 4.775 124.209 119.600 -0.278 0.000 2.854 448 M HA 0.322 4.802 4.480 -0.000 0.000 0.203 448 M C -1.180 175.128 176.300 0.013 0.000 1.069 448 M CA -0.442 54.779 55.300 -0.130 0.000 0.803 448 M CB -0.301 32.300 32.600 0.001 0.000 1.380 448 M HN 0.275 nan 8.290 nan 0.000 0.494 449 F N -2.318 117.596 119.950 -0.060 0.000 2.678 449 F HA 0.572 5.099 4.527 -0.000 0.000 0.308 449 F C -0.561 175.229 175.800 -0.017 0.000 1.118 449 F CA -1.545 56.394 58.000 -0.102 0.000 0.959 449 F CB 0.440 39.347 39.000 -0.155 0.000 1.305 449 F HN -0.049 nan 8.300 nan 0.000 0.443 450 N N 0.933 119.795 118.700 0.270 0.000 2.260 450 N HA 0.009 4.749 4.740 -0.000 0.000 0.230 450 N C 0.646 176.323 175.510 0.279 0.000 1.323 450 N CA 0.005 53.186 53.050 0.218 0.000 0.897 450 N CB 0.480 39.121 38.487 0.257 0.000 1.146 450 N HN 0.789 nan 8.380 nan 0.000 0.460 451 Q N 0.030 119.921 119.800 0.153 0.000 2.398 451 Q HA 0.071 4.411 4.340 -0.000 0.000 0.204 451 Q C 1.289 177.355 176.000 0.110 0.000 0.932 451 Q CA 1.004 56.895 55.803 0.146 0.000 0.916 451 Q CB -0.211 28.570 28.738 0.071 0.000 1.024 451 Q HN 0.670 nan 8.270 nan 0.000 0.504 452 T N -1.075 113.515 114.554 0.060 0.000 2.674 452 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 452 T C 1.126 175.801 174.700 -0.041 0.000 1.039 452 T CA 1.555 63.621 62.100 -0.057 0.000 1.150 452 T CB -0.567 68.195 68.868 -0.177 0.000 0.864 452 T HN 0.435 nan 8.240 nan 0.000 0.427 453 W N 1.377 122.694 121.300 0.027 0.000 2.363 453 W HA 0.099 4.758 4.660 -0.000 0.000 0.296 453 W C 2.881 179.401 176.519 0.002 0.000 1.212 453 W CA 0.584 57.937 57.345 0.013 0.000 1.260 453 W CB -0.418 28.992 29.460 -0.082 0.000 1.131 453 W HN 0.260 nan 8.180 nan 0.000 0.530 454 A N -0.339 122.628 122.820 0.245 0.000 1.933 454 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 454 A C 1.851 179.477 177.584 0.070 0.000 1.175 454 A CA 2.318 54.409 52.037 0.091 0.000 0.628 454 A CB -1.157 18.002 19.000 0.266 0.000 0.814 454 A HN 0.243 nan 8.150 nan 0.000 0.444 455 T N -0.997 113.612 114.554 0.092 0.000 2.812 455 T HA -0.064 4.286 4.350 -0.000 0.000 0.264 455 T C 1.631 176.371 174.700 0.067 0.000 1.042 455 T CA 1.277 63.412 62.100 0.057 0.000 1.140 455 T CB -0.402 68.488 68.868 0.036 0.000 0.870 455 T HN 0.458 nan 8.240 nan 0.000 0.445 456 F N 2.488 122.413 119.950 -0.042 0.000 2.126 456 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 456 F C 2.411 178.221 175.800 0.017 0.000 1.096 456 F CA 1.166 59.150 58.000 -0.026 0.000 1.255 456 F CB -0.559 38.362 39.000 -0.133 0.000 0.997 456 F HN 0.146 nan 8.300 nan 0.000 0.479 457 A N -0.037 122.793 122.820 0.016 0.000 1.898 457 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 457 A C 2.153 179.655 177.584 -0.137 0.000 1.183 457 A CA 1.529 53.512 52.037 -0.091 0.000 0.622 457 A CB -0.491 18.512 19.000 0.005 0.000 0.824 457 A HN 0.392 nan 8.150 nan 0.000 0.444 458 M N -0.517 119.026 119.600 -0.094 0.000 2.334 458 M HA 0.063 4.543 4.480 -0.000 0.000 0.266 458 M C 0.900 177.164 176.300 -0.059 0.000 1.082 458 M CA 1.050 56.298 55.300 -0.086 0.000 1.141 458 M CB -0.933 31.619 32.600 -0.080 0.000 1.380 458 M HN 0.367 nan 8.290 nan 0.000 0.440 459 N N -0.727 117.938 118.700 -0.058 0.000 2.257 459 N HA 0.269 5.009 4.740 -0.000 0.000 0.200 459 N C 1.559 177.032 175.510 -0.062 0.000 1.163 459 N CA 0.408 53.438 53.050 -0.033 0.000 0.891 459 N CB 1.390 39.879 38.487 0.004 0.000 1.067 459 N HN 0.280 nan 8.380 nan 0.000 0.497 460 I N 0.293 120.777 120.570 -0.145 0.000 3.132 460 I HA 0.138 4.308 4.170 -0.000 0.000 0.255 460 I C 2.183 178.087 176.117 -0.354 0.000 1.118 460 I CA 0.335 61.533 61.300 -0.171 0.000 1.463 460 I CB -0.213 37.782 38.000 -0.009 0.000 1.356 460 I HN -0.099 nan 8.210 nan 0.000 0.463 461 A N 2.455 124.818 122.820 -0.763 0.000 1.884 461 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 461 A C -0.150 177.260 177.584 -0.290 0.000 1.197 461 A CA 2.268 53.884 52.037 -0.702 0.000 0.637 461 A CB -2.190 16.316 19.000 -0.823 0.000 0.827 461 A HN 0.303 nan 8.150 nan 0.000 0.450 462 P HA -0.035 nan 4.420 nan 0.000 0.223 462 P C 1.320 178.566 177.300 -0.091 0.000 1.151 462 P CA 1.633 64.663 63.100 -0.116 0.000 0.787 462 P CB -0.082 31.573 31.700 -0.074 0.000 0.788 463 A N 0.064 122.833 122.820 -0.085 0.000 1.970 463 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 463 A C 2.313 179.883 177.584 -0.023 0.000 1.170 463 A CA 0.721 52.733 52.037 -0.042 0.000 0.645 463 A CB -1.361 17.628 19.000 -0.019 0.000 0.816 463 A HN 0.103 nan 8.150 nan 0.000 0.447 464 L N -0.971 120.229 121.223 -0.038 0.000 2.141 464 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 464 L C 2.069 178.965 176.870 0.044 0.000 1.094 464 L CA 0.930 55.785 54.840 0.024 0.000 0.763 464 L CB -0.236 41.823 42.059 -0.000 0.000 0.908 464 L HN 0.274 nan 8.230 nan 0.000 0.437 465 V N -1.593 118.273 119.914 -0.080 0.000 3.359 465 V HA 0.111 4.231 4.120 -0.000 0.000 0.245 465 V C 0.599 176.469 176.094 -0.373 0.000 1.247 465 V CA 0.135 62.279 62.300 -0.259 0.000 1.145 465 V CB 1.696 33.418 31.823 -0.167 0.000 0.906 465 V HN -0.037 nan 8.190 nan 0.000 0.464 466 V N 0.969 120.760 119.914 -0.205 0.000 2.472 466 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 466 V C 0.382 176.401 176.094 -0.126 0.000 1.037 466 V CA -0.666 61.529 62.300 -0.173 0.000 0.908 466 V CB 1.316 33.080 31.823 -0.099 0.000 0.985 466 V HN 0.514 nan 8.190 nan 0.000 0.454 467 D N 1.860 122.185 120.400 -0.126 0.000 2.882 467 D HA -0.182 4.458 4.640 -0.000 0.000 0.229 467 D C 1.248 177.490 176.300 -0.097 0.000 1.167 467 D CA 1.423 55.350 54.000 -0.121 0.000 0.759 467 D CB -0.721 40.022 40.800 -0.096 0.000 1.088 467 D HN 0.817 nan 8.370 nan 0.000 0.425 468 S N -0.882 114.787 115.700 -0.051 0.000 2.574 468 S HA 0.529 4.999 4.470 -0.000 0.000 0.160 468 S C 0.809 175.497 174.600 0.146 0.000 1.125 468 S CA 0.418 58.658 58.200 0.066 0.000 1.836 468 S CB 0.747 64.032 63.200 0.141 0.000 0.514 468 S HN 0.490 nan 8.310 nan 0.000 0.411 469 S N -0.590 115.315 115.700 0.342 0.000 2.565 469 S HA 0.687 5.157 4.470 -0.000 0.000 0.269 469 S C -0.740 174.162 174.600 0.504 0.000 1.153 469 S CA -0.706 57.712 58.200 0.363 0.000 0.835 469 S CB 0.869 64.244 63.200 0.292 0.000 1.122 469 S HN 1.501 nan 8.310 nan 0.000 0.462 470 C N 0.541 120.060 119.300 0.365 0.000 2.994 470 C HA 0.885 5.345 4.460 -0.000 0.000 0.304 470 C C -0.814 174.265 174.990 0.149 0.000 1.273 470 C CA -0.936 58.203 59.018 0.203 0.000 1.537 470 C CB 0.323 28.220 27.740 0.261 0.000 2.001 470 C HN 1.039 nan 8.230 nan 0.000 0.471 471 L N 2.623 123.882 121.223 0.060 0.000 2.283 471 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 471 L C -0.635 176.315 176.870 0.134 0.000 1.033 471 L CA -0.300 54.600 54.840 0.100 0.000 0.848 471 L CB 0.355 42.462 42.059 0.080 0.000 1.226 471 L HN 0.784 nan 8.230 nan 0.000 0.429 472 I N 6.732 127.376 120.570 0.125 0.000 2.339 472 I HA 0.517 4.687 4.170 -0.000 0.000 0.290 472 I C 0.378 176.482 176.117 -0.022 0.000 0.994 472 I CA -0.047 61.328 61.300 0.125 0.000 1.191 472 I CB 0.578 38.668 38.000 0.150 0.000 1.343 472 I HN 0.884 nan 8.210 nan 0.000 0.458 473 M N 4.052 123.526 119.600 -0.210 0.000 7.319 473 M HA -0.390 4.090 4.480 -0.000 0.000 0.299 473 M C 0.516 176.523 176.300 -0.488 0.000 0.480 473 M CA 2.058 56.920 55.300 -0.729 0.000 1.311 473 M CB -1.430 30.946 32.600 -0.374 0.000 0.421 473 M HN 0.745 nan 8.290 nan 0.000 0.612 474 N N 1.229 119.808 118.700 -0.202 0.000 2.254 474 N HA 0.416 5.156 4.740 -0.000 0.000 0.190 474 N C 0.029 175.556 175.510 0.029 0.000 1.107 474 N CA 0.135 53.181 53.050 -0.008 0.000 0.869 474 N CB -0.039 38.498 38.487 0.083 0.000 0.983 474 N HN 0.486 nan 8.380 nan 0.000 0.487 475 L N 1.028 122.256 121.223 0.008 0.000 2.367 475 L HA 0.196 4.536 4.340 -0.000 0.000 0.275 475 L C 0.045 176.967 176.870 0.085 0.000 1.129 475 L CA -0.148 54.715 54.840 0.039 0.000 0.839 475 L CB 0.793 42.871 42.059 0.031 0.000 1.133 475 L HN 0.146 nan 8.230 nan 0.000 0.453 476 Q N 4.701 124.563 119.800 0.103 0.000 2.430 476 Q HA 0.451 4.791 4.340 -0.000 0.000 0.245 476 Q C -0.571 175.517 176.000 0.146 0.000 1.021 476 Q CA -0.200 55.689 55.803 0.143 0.000 0.867 476 Q CB 1.306 30.129 28.738 0.142 0.000 1.210 476 Q HN 0.517 nan 8.270 nan 0.000 0.487 477 I N -1.592 119.092 120.570 0.190 0.000 2.648 477 I HA 0.543 4.713 4.170 -0.000 0.000 0.304 477 I C -0.363 175.931 176.117 0.296 0.000 1.009 477 I CA -1.190 60.263 61.300 0.256 0.000 1.114 477 I CB 1.589 39.758 38.000 0.281 0.000 1.293 477 I HN 0.221 nan 8.210 nan 0.000 0.449 478 K N 2.640 123.203 120.400 0.271 0.000 2.414 478 K HA 0.159 4.479 4.320 -0.000 0.000 0.272 478 K C -0.480 176.233 176.600 0.187 0.000 0.993 478 K CA 0.075 56.409 56.287 0.077 0.000 0.964 478 K CB 0.664 32.999 32.500 -0.275 0.000 0.925 478 K HN 0.778 nan 8.250 nan 0.000 0.487 479 T N 3.468 118.080 114.554 0.097 0.000 2.767 479 T HA 0.255 4.605 4.350 -0.000 0.000 0.284 479 T C -1.153 173.501 174.700 -0.077 0.000 0.973 479 T CA -0.283 61.918 62.100 0.168 0.000 0.996 479 T CB 0.132 69.147 68.868 0.246 0.000 0.927 479 T HN 0.285 nan 8.240 nan 0.000 0.456 480 Y N 2.508 122.849 120.300 0.068 0.000 2.341 480 Y HA 0.487 5.037 4.550 -0.000 0.000 0.340 480 Y C 1.311 177.204 175.900 -0.011 0.000 0.997 480 Y CA 0.604 58.700 58.100 -0.007 0.000 1.149 480 Y CB 0.942 39.383 38.460 -0.031 0.000 1.171 480 Y HN 1.045 nan 8.280 nan 0.000 0.494 481 G N 2.692 111.538 108.800 0.078 0.000 2.552 481 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 481 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 481 G C -0.372 174.486 174.900 -0.069 0.000 1.234 481 G CA -0.278 44.834 45.100 0.020 0.000 0.944 481 G HN 0.686 nan 8.290 nan 0.000 0.568 482 Q N 0.303 120.052 119.800 -0.085 0.000 2.260 482 Q HA 0.524 4.864 4.340 -0.000 0.000 0.238 482 Q C 0.743 176.607 176.000 -0.226 0.000 0.948 482 Q CA -0.054 55.637 55.803 -0.185 0.000 0.895 482 Q CB 0.829 29.495 28.738 -0.121 0.000 1.218 482 Q HN 1.145 nan 8.270 nan 0.000 0.470 483 G N 1.502 110.032 108.800 -0.450 0.000 2.320 483 G HA2 0.220 4.180 3.960 -0.000 0.000 0.300 483 G HA3 0.220 4.180 3.960 -0.000 0.000 0.300 483 G C -0.554 174.359 174.900 0.021 0.000 1.126 483 G CA -0.424 44.475 45.100 -0.336 0.000 0.896 483 G HN 0.574 nan 8.290 nan 0.000 0.436 484 S N 0.915 116.692 115.700 0.128 0.000 2.593 484 S HA 0.313 4.783 4.470 -0.000 0.000 0.300 484 S C 1.519 176.234 174.600 0.191 0.000 1.267 484 S CA 0.967 59.257 58.200 0.150 0.000 1.065 484 S CB 0.563 63.858 63.200 0.160 0.000 0.807 484 S HN 1.862 nan 8.310 nan 0.000 0.499 485 G N 2.977 111.876 108.800 0.164 0.000 2.356 485 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.296 485 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.296 485 G C 0.000 175.024 174.900 0.206 0.000 1.022 485 G CA 0.647 45.849 45.100 0.169 0.000 0.961 485 G HN 0.967 nan 8.290 nan 0.000 0.510 486 N N -0.584 118.262 118.700 0.244 0.000 2.593 486 N HA 0.734 5.474 4.740 -0.000 0.000 0.304 486 N C 0.799 176.508 175.510 0.333 0.000 1.296 486 N CA -0.120 53.132 53.050 0.338 0.000 0.950 486 N CB 0.474 39.221 38.487 0.433 0.000 1.127 486 N HN 0.932 nan 8.380 nan 0.000 0.587 487 A N -0.797 122.275 122.820 0.421 0.000 2.580 487 A HA 0.365 4.685 4.320 -0.000 0.000 0.244 487 A C 1.112 178.793 177.584 0.163 0.000 1.045 487 A CA 0.315 52.538 52.037 0.310 0.000 0.761 487 A CB -1.680 17.474 19.000 0.257 0.000 0.962 487 A HN 1.778 nan 8.150 nan 0.000 0.512 488 A N 2.701 125.605 122.820 0.141 0.000 2.704 488 A HA -0.166 4.154 4.320 -0.000 0.000 0.299 488 A C 1.374 179.032 177.584 0.123 0.000 1.507 488 A CA 1.650 53.767 52.037 0.134 0.000 0.776 488 A CB -2.457 16.601 19.000 0.095 0.000 1.027 488 A HN 1.421 nan 8.150 nan 0.000 0.475 489 T N -1.090 113.559 114.554 0.158 0.000 2.821 489 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 489 T C 1.398 176.177 174.700 0.130 0.000 1.046 489 T CA 1.547 63.721 62.100 0.124 0.000 1.139 489 T CB -0.288 68.668 68.868 0.147 0.000 0.871 489 T HN 0.886 nan 8.240 nan 0.000 0.454 490 F N 2.520 122.495 119.950 0.042 0.000 2.065 490 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 490 F C 1.908 177.684 175.800 -0.040 0.000 1.112 490 F CA 1.178 59.182 58.000 0.007 0.000 1.212 490 F CB -0.647 38.345 39.000 -0.013 0.000 0.975 490 F HN 0.102 nan 8.300 nan 0.000 0.476 491 I N 0.548 120.948 120.570 -0.283 0.000 2.226 491 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 491 I C 2.054 177.998 176.117 -0.288 0.000 1.100 491 I CA 1.489 62.537 61.300 -0.420 0.000 1.374 491 I CB -0.848 37.054 38.000 -0.164 0.000 1.057 491 I HN 0.259 nan 8.210 nan 0.000 0.413 492 N N 1.254 119.858 118.700 -0.160 0.000 2.188 492 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 492 N C 1.590 176.997 175.510 -0.172 0.000 1.018 492 N CA 1.238 54.212 53.050 -0.127 0.000 0.858 492 N CB -0.532 37.913 38.487 -0.069 0.000 0.989 492 N HN 0.379 nan 8.380 nan 0.000 0.426 493 N N 0.666 119.267 118.700 -0.166 0.000 2.142 493 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 493 N C 1.656 177.021 175.510 -0.241 0.000 1.023 493 N CA 0.717 53.664 53.050 -0.171 0.000 0.852 493 N CB -0.652 37.782 38.487 -0.090 0.000 0.998 493 N HN 0.385 nan 8.380 nan 0.000 0.424 494 H N 0.680 119.488 119.070 -0.437 0.000 2.352 494 H HA -0.075 4.480 4.556 -0.000 0.000 0.299 494 H C 2.141 177.247 175.328 -0.371 0.000 1.097 494 H CA 1.152 56.904 56.048 -0.493 0.000 1.311 494 H CB -0.294 28.964 29.762 -0.840 0.000 1.377 494 H HN 0.183 nan 8.280 nan 0.000 0.504 495 L N -0.004 121.097 121.223 -0.202 0.000 2.017 495 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 495 L C 2.318 179.034 176.870 -0.257 0.000 1.073 495 L CA 0.819 55.533 54.840 -0.209 0.000 0.745 495 L CB -0.294 41.657 42.059 -0.179 0.000 0.894 495 L HN 0.144 nan 8.230 nan 0.000 0.432 496 L N -0.378 120.661 121.223 -0.306 0.000 2.043 496 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 496 L C 2.685 179.377 176.870 -0.297 0.000 1.075 496 L CA 1.860 56.484 54.840 -0.360 0.000 0.752 496 L CB -1.258 40.593 42.059 -0.346 0.000 0.891 496 L HN 0.275 nan 8.230 nan 0.000 0.432 497 S N -1.471 114.053 115.700 -0.292 0.000 2.357 497 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 497 S C 1.852 176.299 174.600 -0.256 0.000 1.031 497 S CA 1.472 59.494 58.200 -0.297 0.000 0.982 497 S CB -0.351 62.642 63.200 -0.344 0.000 0.853 497 S HN 0.491 nan 8.310 nan 0.000 0.458 498 T N 3.265 117.675 114.554 -0.241 0.000 2.721 498 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 498 T C 1.661 176.281 174.700 -0.134 0.000 1.038 498 T CA 1.158 63.163 62.100 -0.158 0.000 1.145 498 T CB -0.521 68.265 68.868 -0.137 0.000 0.858 498 T HN 0.276 nan 8.240 nan 0.000 0.459 499 L N 0.399 121.503 121.223 -0.199 0.000 2.044 499 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 499 L C 2.701 179.484 176.870 -0.145 0.000 1.075 499 L CA 0.751 55.461 54.840 -0.217 0.000 0.747 499 L CB -0.795 41.052 42.059 -0.354 0.000 0.903 499 L HN 0.132 nan 8.230 nan 0.000 0.435 500 V N -0.079 119.713 119.914 -0.204 0.000 2.287 500 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 500 V C 2.500 178.501 176.094 -0.154 0.000 1.053 500 V CA 1.546 63.684 62.300 -0.270 0.000 1.027 500 V CB -0.505 31.028 31.823 -0.483 0.000 0.646 500 V HN 0.243 nan 8.190 nan 0.000 0.447 501 L N 0.432 121.611 121.223 -0.073 0.000 2.012 501 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 501 L C 2.228 179.225 176.870 0.212 0.000 1.073 501 L CA 2.356 57.288 54.840 0.153 0.000 0.748 501 L CB -1.088 41.037 42.059 0.109 0.000 0.891 501 L HN 0.476 nan 8.230 nan 0.000 0.431 502 D N -1.310 119.149 120.400 0.098 0.000 2.087 502 D HA -0.270 4.370 4.640 -0.000 0.000 0.192 502 D C 2.194 178.558 176.300 0.106 0.000 0.993 502 D CA 1.383 55.445 54.000 0.104 0.000 0.828 502 D CB 0.032 40.918 40.800 0.143 0.000 0.968 502 D HN 0.223 nan 8.370 nan 0.000 0.448 503 Q N -1.088 118.776 119.800 0.107 0.000 2.170 503 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 503 Q C 1.618 177.675 176.000 0.095 0.000 0.976 503 Q CA 1.463 57.316 55.803 0.083 0.000 0.858 503 Q CB -0.536 28.234 28.738 0.054 0.000 0.907 503 Q HN 0.568 nan 8.270 nan 0.000 0.433 504 W N 0.890 122.142 121.300 -0.080 0.000 2.335 504 W HA -0.159 4.501 4.660 -0.000 0.000 0.311 504 W C 1.400 177.939 176.519 0.032 0.000 1.213 504 W CA 1.735 59.069 57.345 -0.019 0.000 1.274 504 W CB -0.569 28.918 29.460 0.046 0.000 1.148 504 W HN 0.186 nan 8.180 nan 0.000 0.498 505 N N 0.366 119.007 118.700 -0.098 0.000 2.166 505 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 505 N C 1.898 177.308 175.510 -0.166 0.000 1.019 505 N CA 1.893 54.786 53.050 -0.262 0.000 0.856 505 N CB -0.883 37.525 38.487 -0.132 0.000 0.993 505 N HN 0.298 nan 8.380 nan 0.000 0.426 506 L N 1.006 122.186 121.223 -0.073 0.000 2.072 506 L HA 0.021 4.360 4.340 -0.000 0.000 0.205 506 L C 1.671 178.511 176.870 -0.051 0.000 1.079 506 L CA 0.724 55.533 54.840 -0.053 0.000 0.752 506 L CB -0.362 41.681 42.059 -0.026 0.000 0.906 506 L HN 0.203 nan 8.230 nan 0.000 0.436 507 M N -0.267 119.312 119.600 -0.035 0.000 2.866 507 M HA 0.251 4.731 4.480 -0.000 0.000 0.231 507 M C -0.312 175.963 176.300 -0.042 0.000 1.302 507 M CA -0.113 55.177 55.300 -0.017 0.000 1.083 507 M CB -0.222 32.394 32.600 0.025 0.000 1.499 507 M HN 0.017 nan 8.290 nan 0.000 0.451 508 R N 0.509 120.948 120.500 -0.101 0.000 3.336 508 R HA -0.174 4.166 4.340 -0.000 0.000 0.260 508 R C -0.719 175.471 176.300 -0.183 0.000 1.032 508 R CA 0.684 56.706 56.100 -0.130 0.000 0.693 508 R CB -2.857 27.405 30.300 -0.064 0.000 1.134 508 R HN 0.755 nan 8.270 nan 0.000 0.433 509 Q N -2.185 117.357 119.800 -0.429 0.000 2.434 509 Q HA -0.198 4.142 4.340 -0.000 0.000 0.366 509 Q C -1.907 174.126 176.000 0.055 0.000 1.398 509 Q CA 0.709 56.059 55.803 -0.755 0.000 1.074 509 Q CB -0.489 27.738 28.738 -0.852 0.000 1.236 509 Q HN 0.413 nan 8.270 nan 0.000 0.329 510 P HA 0.024 nan 4.420 nan 0.000 0.274 510 P C -0.442 176.891 177.300 0.056 0.000 1.256 510 P CA -0.285 62.979 63.100 0.274 0.000 0.795 510 P CB 0.628 32.491 31.700 0.271 0.000 1.038 511 R N 1.404 121.663 120.500 -0.401 0.000 2.401 511 R HA 0.110 4.450 4.340 -0.000 0.000 0.299 511 R C -1.523 174.355 176.300 -0.704 0.000 1.064 511 R CA -1.401 54.144 56.100 -0.925 0.000 1.000 511 R CB -0.095 29.892 30.300 -0.523 0.000 0.973 511 R HN 0.279 nan 8.270 nan 0.000 0.438 512 P HA -0.196 nan 4.420 nan 0.000 0.218 512 P C 0.019 176.903 177.300 -0.694 0.000 1.146 512 P CA 1.448 63.578 63.100 -1.618 0.000 0.820 512 P CB 0.129 30.621 31.700 -2.014 0.000 0.778 513 D N -1.959 118.154 120.400 -0.479 0.000 2.427 513 D HA 0.025 4.665 4.640 -0.000 0.000 0.224 513 D C 0.050 176.326 176.300 -0.039 0.000 1.157 513 D CA -0.254 53.668 54.000 -0.130 0.000 0.828 513 D CB -0.604 40.197 40.800 0.002 0.000 0.974 513 D HN 0.094 nan 8.370 nan 0.000 0.498 514 S N -1.225 114.453 115.700 -0.038 0.000 2.687 514 S HA 0.244 4.714 4.470 -0.000 0.000 0.283 514 S C 1.090 175.730 174.600 0.068 0.000 1.170 514 S CA -0.733 57.480 58.200 0.022 0.000 1.008 514 S CB 2.281 65.493 63.200 0.020 0.000 1.026 514 S HN 0.054 nan 8.310 nan 0.000 0.541 515 E N 0.420 120.653 120.200 0.054 0.000 2.171 515 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 515 E C 1.410 178.051 176.600 0.069 0.000 0.997 515 E CA 1.555 57.985 56.400 0.050 0.000 0.810 515 E CB -0.061 29.660 29.700 0.035 0.000 0.738 515 E HN 0.765 nan 8.360 nan 0.000 0.467 516 E N -0.256 119.999 120.200 0.090 0.000 2.047 516 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 516 E C 1.548 178.242 176.600 0.156 0.000 0.987 516 E CA 0.881 57.345 56.400 0.107 0.000 0.799 516 E CB -0.303 29.463 29.700 0.110 0.000 0.752 516 E HN 0.263 nan 8.360 nan 0.000 0.449 517 F N 0.974 120.958 119.950 0.058 0.000 2.293 517 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 517 F C 2.011 177.922 175.800 0.184 0.000 1.086 517 F CA 1.113 59.169 58.000 0.093 0.000 1.375 517 F CB 0.188 39.175 39.000 -0.022 0.000 1.045 517 F HN -0.126 nan 8.300 nan 0.000 0.516 518 K N 0.649 121.177 120.400 0.214 0.000 2.057 518 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 518 K C 2.200 178.783 176.600 -0.028 0.000 1.050 518 K CA 1.637 57.959 56.287 0.058 0.000 0.935 518 K CB -0.671 31.835 32.500 0.009 0.000 0.715 518 K HN 0.249 nan 8.250 nan 0.000 0.439 519 S N -0.024 115.679 115.700 0.006 0.000 2.584 519 S HA -0.066 4.404 4.470 -0.000 0.000 0.240 519 S C 1.800 176.399 174.600 -0.003 0.000 0.975 519 S CA 0.707 58.901 58.200 -0.009 0.000 0.949 519 S CB -0.741 62.463 63.200 0.006 0.000 0.761 519 S HN 0.323 nan 8.310 nan 0.000 0.536 520 I N 2.512 123.087 120.570 0.010 0.000 2.394 520 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 520 I C 2.823 178.986 176.117 0.077 0.000 1.136 520 I CA 1.716 63.024 61.300 0.013 0.000 1.425 520 I CB -0.396 37.526 38.000 -0.130 0.000 1.079 520 I HN 0.585 nan 8.210 nan 0.000 0.425 521 E N 0.685 120.930 120.200 0.074 0.000 2.208 521 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 521 E C 1.181 177.760 176.600 -0.034 0.000 0.988 521 E CA 1.147 57.544 56.400 -0.004 0.000 0.828 521 E CB -0.248 29.262 29.700 -0.317 0.000 0.763 521 E HN 0.448 nan 8.360 nan 0.000 0.478 522 D N 1.295 121.671 120.400 -0.040 0.000 2.178 522 D HA -0.084 4.556 4.640 -0.000 0.000 0.202 522 D C 1.704 178.002 176.300 -0.004 0.000 0.974 522 D CA 0.904 54.888 54.000 -0.027 0.000 0.841 522 D CB 0.011 40.795 40.800 -0.028 0.000 0.953 522 D HN 0.231 nan 8.370 nan 0.000 0.478 523 K N 0.053 120.459 120.400 0.011 0.000 2.044 523 K HA 0.091 4.410 4.320 -0.000 0.000 0.204 523 K C 2.125 178.749 176.600 0.040 0.000 1.049 523 K CA 0.346 56.650 56.287 0.028 0.000 0.945 523 K CB 0.161 32.683 32.500 0.037 0.000 0.724 523 K HN 0.043 nan 8.250 nan 0.000 0.440 524 L N -0.705 120.541 121.223 0.038 0.000 2.477 524 L HA 0.129 4.469 4.340 -0.000 0.000 0.220 524 L C 0.829 177.721 176.870 0.038 0.000 1.106 524 L CA 0.400 55.261 54.840 0.035 0.000 0.851 524 L CB 0.351 42.413 42.059 0.004 0.000 0.994 524 L HN 0.445 nan 8.230 nan 0.000 0.462 525 G N 1.430 110.245 108.800 0.026 0.000 2.246 525 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 525 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 525 G C -0.037 174.875 174.900 0.021 0.000 1.055 525 G CA 0.075 45.187 45.100 0.020 0.000 0.851 525 G HN 0.308 nan 8.290 nan 0.000 0.500 526 I N 0.036 120.620 120.570 0.022 0.000 2.436 526 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 526 I C -0.524 175.627 176.117 0.056 0.000 1.010 526 I CA -1.223 60.095 61.300 0.030 0.000 1.098 526 I CB 1.741 39.749 38.000 0.012 0.000 1.266 526 I HN -0.073 nan 8.210 nan 0.000 0.434 527 N N 6.484 125.188 118.700 0.006 0.000 2.498 527 N HA 0.656 5.396 4.740 -0.000 0.000 0.287 527 N C -1.004 174.526 175.510 0.032 0.000 1.097 527 N CA -0.151 52.842 53.050 -0.095 0.000 0.973 527 N CB 1.201 39.636 38.487 -0.087 0.000 1.153 527 N HN 0.479 nan 8.380 nan 0.000 0.472 528 F N -1.773 118.142 119.950 -0.058 0.000 2.650 528 F HA 0.530 5.057 4.527 -0.000 0.000 0.310 528 F C -0.611 175.178 175.800 -0.019 0.000 1.112 528 F CA -1.308 56.663 58.000 -0.048 0.000 0.986 528 F CB 1.226 40.186 39.000 -0.067 0.000 1.285 528 F HN 0.288 nan 8.300 nan 0.000 0.440 529 K N 2.600 123.084 120.400 0.141 0.000 2.238 529 K HA 0.784 5.104 4.320 -0.000 0.000 0.239 529 K C -1.258 175.422 176.600 0.132 0.000 0.987 529 K CA -0.868 55.471 56.287 0.087 0.000 0.857 529 K CB 2.688 35.210 32.500 0.037 0.000 1.154 529 K HN 0.822 nan 8.250 nan 0.000 0.439 530 I N 2.678 123.308 120.570 0.101 0.000 2.322 530 I HA -0.000 4.170 4.170 -0.000 0.000 0.292 530 I C 1.405 177.565 176.117 0.072 0.000 1.060 530 I CA -0.212 61.138 61.300 0.083 0.000 1.309 530 I CB 1.119 39.175 38.000 0.095 0.000 1.415 530 I HN 0.851 nan 8.210 nan 0.000 0.492 531 E N 7.034 127.270 120.200 0.059 0.000 2.152 531 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 531 E C 0.494 177.143 176.600 0.081 0.000 0.983 531 E CA 0.890 57.328 56.400 0.064 0.000 0.818 531 E CB 0.496 30.231 29.700 0.059 0.000 0.758 531 E HN 0.610 nan 8.360 nan 0.000 0.467 532 R N -0.390 120.166 120.500 0.093 0.000 2.633 532 R HA 0.158 4.498 4.340 -0.000 0.000 0.255 532 R C -1.849 174.508 176.300 0.094 0.000 1.106 532 R CA -0.066 56.098 56.100 0.107 0.000 0.959 532 R CB 1.020 31.410 30.300 0.150 0.000 1.259 532 R HN 0.034 nan 8.270 nan 0.000 0.453 533 S N 4.705 120.433 115.700 0.047 0.000 2.672 533 S HA 0.537 5.007 4.470 -0.000 0.000 0.291 533 S C -0.473 174.101 174.600 -0.042 0.000 1.145 533 S CA -0.803 57.343 58.200 -0.090 0.000 1.013 533 S CB 1.090 64.154 63.200 -0.227 0.000 1.017 533 S HN 0.509 nan 8.310 nan 0.000 0.487 534 I N 3.028 123.605 120.570 0.012 0.000 2.312 534 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 534 I C -0.398 175.701 176.117 -0.030 0.000 1.008 534 I CA -0.535 60.782 61.300 0.029 0.000 1.226 534 I CB 1.061 39.110 38.000 0.081 0.000 1.371 534 I HN 0.591 nan 8.210 nan 0.000 0.468 535 D N 4.352 124.731 120.400 -0.035 0.000 2.344 535 D HA 0.059 4.698 4.640 -0.000 0.000 0.244 535 D C 0.264 176.562 176.300 -0.005 0.000 1.134 535 D CA 0.402 54.385 54.000 -0.029 0.000 0.930 535 D CB 0.527 41.319 40.800 -0.014 0.000 1.175 535 D HN 0.545 nan 8.370 nan 0.000 0.437 536 D N 0.500 120.903 120.400 0.004 0.000 2.697 536 D HA -0.221 4.419 4.640 -0.000 0.000 0.235 536 D C 0.764 177.066 176.300 0.004 0.000 1.167 536 D CA 0.079 54.084 54.000 0.008 0.000 0.656 536 D CB -0.829 39.975 40.800 0.005 0.000 1.025 536 D HN 0.366 nan 8.370 nan 0.000 0.419 537 I N 0.875 121.455 120.570 0.016 0.000 2.179 537 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 537 I C 2.277 178.378 176.117 -0.027 0.000 1.088 537 I CA 1.589 62.892 61.300 0.006 0.000 1.357 537 I CB -0.129 37.919 38.000 0.081 0.000 1.051 537 I HN 0.239 nan 8.210 nan 0.000 0.409 538 R N 0.275 120.767 120.500 -0.013 0.000 2.091 538 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 538 R C 2.343 178.631 176.300 -0.020 0.000 1.136 538 R CA 1.409 57.493 56.100 -0.027 0.000 0.959 538 R CB -1.074 29.214 30.300 -0.020 0.000 0.856 538 R HN 0.591 nan 8.270 nan 0.000 0.437 539 G N 1.397 110.190 108.800 -0.011 0.000 2.459 539 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 539 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 539 G C 1.200 176.097 174.900 -0.005 0.000 1.183 539 G CA 0.801 45.898 45.100 -0.006 0.000 0.776 539 G HN 0.260 nan 8.290 nan 0.000 0.552 540 K N -0.083 120.310 120.400 -0.011 0.000 2.097 540 K HA 0.074 4.394 4.320 -0.000 0.000 0.206 540 K C 2.525 179.125 176.600 0.000 0.000 1.049 540 K CA 0.705 56.987 56.287 -0.008 0.000 0.933 540 K CB -0.264 32.225 32.500 -0.018 0.000 0.717 540 K HN 0.268 nan 8.250 nan 0.000 0.442 541 L N 0.458 121.666 121.223 -0.025 0.000 2.093 541 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 541 L C 2.485 179.431 176.870 0.126 0.000 1.085 541 L CA 1.189 56.020 54.840 -0.014 0.000 0.755 541 L CB -0.308 41.648 42.059 -0.172 0.000 0.904 541 L HN 0.126 nan 8.230 nan 0.000 0.435 542 R N -0.489 120.051 120.500 0.066 0.000 2.075 542 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 542 R C 2.216 178.525 176.300 0.015 0.000 1.126 542 R CA 1.033 57.168 56.100 0.059 0.000 0.963 542 R CB -0.231 30.078 30.300 0.015 0.000 0.858 542 R HN 0.396 nan 8.270 nan 0.000 0.435 543 Q N 0.761 120.570 119.800 0.015 0.000 2.488 543 Q HA -0.031 4.309 4.340 -0.000 0.000 0.211 543 Q C 1.861 177.865 176.000 0.006 0.000 0.967 543 Q CA 0.479 56.281 55.803 -0.003 0.000 0.926 543 Q CB 0.182 28.920 28.738 0.001 0.000 0.992 543 Q HN 0.401 nan 8.270 nan 0.000 0.506 544 L N -0.600 120.654 121.223 0.051 0.000 2.275 544 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 544 L C 2.013 178.886 176.870 0.005 0.000 1.119 544 L CA 0.506 55.399 54.840 0.089 0.000 0.790 544 L CB -0.126 42.080 42.059 0.246 0.000 0.919 544 L HN 0.086 nan 8.230 nan 0.000 0.443 545 V N -0.830 118.979 119.914 -0.176 0.000 2.649 545 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 545 V C 2.124 178.078 176.094 -0.234 0.000 1.054 545 V CA 0.841 62.838 62.300 -0.504 0.000 1.073 545 V CB -0.019 31.343 31.823 -0.768 0.000 0.699 545 V HN 0.263 nan 8.190 nan 0.000 0.463 546 L N -0.238 120.910 121.223 -0.125 0.000 2.068 546 L HA 0.103 4.443 4.340 -0.000 0.000 0.204 546 L C 1.817 178.673 176.870 -0.024 0.000 1.076 546 L CA 1.908 56.708 54.840 -0.067 0.000 0.753 546 L CB -0.246 41.783 42.059 -0.050 0.000 0.910 546 L HN 0.195 nan 8.230 nan 0.000 0.439 547 L N 0.082 121.300 121.223 -0.009 0.000 2.629 547 L HA 0.301 4.641 4.340 -0.000 0.000 0.230 547 L C 0.776 177.661 176.870 0.025 0.000 1.151 547 L CA -0.222 54.622 54.840 0.007 0.000 0.924 547 L CB -0.655 41.408 42.059 0.006 0.000 1.137 547 L HN 0.175 nan 8.230 nan 0.000 0.457 548 A N 1.105 123.955 122.820 0.050 0.000 2.515 548 A HA 0.190 4.510 4.320 -0.000 0.000 0.263 548 A C 0.419 178.035 177.584 0.054 0.000 1.096 548 A CA -0.106 51.980 52.037 0.082 0.000 0.769 548 A CB 0.007 19.113 19.000 0.177 0.000 1.040 548 A HN 0.254 nan 8.150 nan 0.000 0.505 549 Q N 2.806 122.625 119.800 0.031 0.000 2.306 549 Q HA 0.338 4.678 4.340 -0.000 0.000 0.241 549 Q C -2.265 173.746 176.000 0.018 0.000 0.948 549 Q CA -1.918 53.893 55.803 0.013 0.000 0.886 549 Q CB 0.198 28.932 28.738 -0.008 0.000 1.227 549 Q HN 0.574 nan 8.270 nan 0.000 0.457 550 P HA 0.153 nan 4.420 nan 0.000 0.266 550 P C -0.294 176.999 177.300 -0.012 0.000 1.195 550 P CA 0.288 63.388 63.100 -0.001 0.000 0.768 550 P CB 0.722 32.413 31.700 -0.015 0.000 0.838 551 G N 0.596 109.394 108.800 -0.004 0.000 2.588 551 G HA2 0.180 4.140 3.960 -0.000 0.000 0.281 551 G HA3 0.180 4.140 3.960 -0.000 0.000 0.281 551 G C -0.506 174.391 174.900 -0.005 0.000 1.223 551 G CA -0.351 44.738 45.100 -0.017 0.000 0.871 551 G HN 0.249 nan 8.290 nan 0.000 0.492 552 Y N -0.189 120.196 120.300 0.141 0.000 2.314 552 Y HA 0.249 4.799 4.550 -0.000 0.000 0.293 552 Y C 2.457 178.329 175.900 -0.048 0.000 1.129 552 Y CA 1.227 59.354 58.100 0.045 0.000 1.201 552 Y CB 0.038 38.528 38.460 0.049 0.000 0.999 552 Y HN 0.105 nan 8.280 nan 0.000 0.541 553 L N -1.526 119.769 121.223 0.120 0.000 2.769 553 L HA 0.213 4.553 4.340 -0.000 0.000 0.240 553 L C 0.162 177.020 176.870 -0.020 0.000 1.163 553 L CA 0.235 55.061 54.840 -0.024 0.000 0.962 553 L CB 0.277 42.258 42.059 -0.132 0.000 1.258 553 L HN -0.162 nan 8.230 nan 0.000 0.513 554 S N -0.077 115.638 115.700 0.026 0.000 2.407 554 S HA 0.546 5.016 4.470 -0.000 0.000 0.166 554 S C 0.624 175.228 174.600 0.007 0.000 1.445 554 S CA 0.232 58.437 58.200 0.008 0.000 1.260 554 S CB 1.207 64.428 63.200 0.035 0.000 1.401 554 S HN 0.458 nan 8.310 nan 0.000 0.379 555 G N 0.537 109.335 108.800 -0.002 0.000 2.705 555 G HA2 0.130 4.090 3.960 -0.000 0.000 0.193 555 G HA3 0.130 4.090 3.960 -0.000 0.000 0.193 555 G C 0.672 175.570 174.900 -0.004 0.000 1.015 555 G CA 0.040 45.137 45.100 -0.006 0.000 0.743 555 G HN 1.562 nan 8.290 nan 0.000 0.476 556 G N -0.825 107.981 108.800 0.010 0.000 2.212 556 G HA2 0.213 4.172 3.960 -0.000 0.000 0.255 556 G HA3 0.213 4.172 3.960 -0.000 0.000 0.255 556 G C 0.373 175.283 174.900 0.018 0.000 1.062 556 G CA 0.934 46.056 45.100 0.035 0.000 0.815 556 G HN 2.127 nan 8.290 nan 0.000 0.497 557 V N -3.581 116.302 119.914 -0.052 0.000 3.007 557 V HA 0.781 4.901 4.120 -0.000 0.000 0.311 557 V C 0.320 176.212 176.094 -0.337 0.000 1.120 557 V CA -1.483 60.746 62.300 -0.120 0.000 0.980 557 V CB 1.994 33.767 31.823 -0.083 0.000 1.033 557 V HN 0.408 nan 8.190 nan 0.000 0.429 558 E N 3.954 123.955 120.200 -0.331 0.000 2.417 558 E HA 0.213 4.563 4.350 -0.000 0.000 0.261 558 E C -2.239 174.176 176.600 -0.307 0.000 1.000 558 E CA -1.434 54.689 56.400 -0.461 0.000 0.919 558 E CB 0.826 30.417 29.700 -0.182 0.000 0.955 558 E HN 0.663 nan 8.360 nan 0.000 0.455 559 P HA 0.044 nan 4.420 nan 0.000 0.271 559 P C -0.555 176.698 177.300 -0.078 0.000 1.220 559 P CA 0.108 63.116 63.100 -0.153 0.000 0.768 559 P CB 1.246 32.882 31.700 -0.107 0.000 0.848 560 E N 0.522 120.689 120.200 -0.055 0.000 2.400 560 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 560 E C 0.569 177.163 176.600 -0.010 0.000 1.012 560 E CA 0.620 57.004 56.400 -0.026 0.000 0.875 560 E CB 0.422 30.106 29.700 -0.028 0.000 0.859 560 E HN 0.460 nan 8.360 nan 0.000 0.498 561 Q N -0.290 119.497 119.800 -0.022 0.000 2.340 561 Q HA 0.283 4.623 4.340 -0.000 0.000 0.276 561 Q C -1.223 174.745 176.000 -0.054 0.000 1.048 561 Q CA -0.480 55.311 55.803 -0.019 0.000 0.832 561 Q CB 1.955 30.684 28.738 -0.015 0.000 1.373 561 Q HN 0.020 nan 8.270 nan 0.000 0.409 562 S N 1.905 117.564 115.700 -0.069 0.000 2.466 562 S HA 0.092 4.562 4.470 -0.000 0.000 0.286 562 S C -0.164 174.328 174.600 -0.180 0.000 1.221 562 S CA 0.121 58.210 58.200 -0.184 0.000 1.091 562 S CB 0.284 63.378 63.200 -0.176 0.000 0.956 562 S HN 0.527 nan 8.310 nan 0.000 0.501 563 S N 6.216 121.791 115.700 -0.209 0.000 2.510 563 S HA 0.335 4.805 4.470 -0.000 0.000 0.279 563 S C -2.367 172.157 174.600 -0.127 0.000 1.284 563 S CA -1.342 56.786 58.200 -0.119 0.000 1.059 563 S CB 0.106 63.272 63.200 -0.057 0.000 0.901 563 S HN 0.590 nan 8.310 nan 0.000 0.491 564 P HA 0.179 nan 4.420 nan 0.000 0.267 564 P C -0.712 176.592 177.300 0.007 0.000 1.200 564 P CA -0.047 63.041 63.100 -0.020 0.000 0.772 564 P CB 0.545 32.251 31.700 0.009 0.000 0.855 565 T N -1.652 112.915 114.554 0.021 0.000 2.900 565 T HA 0.483 4.833 4.350 -0.000 0.000 0.303 565 T C -0.759 173.965 174.700 0.041 0.000 1.142 565 T CA -0.807 61.323 62.100 0.051 0.000 1.007 565 T CB 0.760 69.663 68.868 0.060 0.000 1.156 565 T HN -0.003 nan 8.240 nan 0.000 0.490 566 V N 2.706 122.637 119.914 0.027 0.000 2.383 566 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 566 V C 0.328 176.400 176.094 -0.036 0.000 1.036 566 V CA -0.538 61.746 62.300 -0.027 0.000 0.889 566 V CB 1.170 32.938 31.823 -0.091 0.000 0.985 566 V HN 0.907 nan 8.190 nan 0.000 0.459 567 E N 5.679 125.872 120.200 -0.012 0.000 1.979 567 E HA 0.158 4.508 4.350 -0.000 0.000 0.285 567 E C 1.001 177.604 176.600 0.005 0.000 1.188 567 E CA -0.102 56.311 56.400 0.022 0.000 1.214 567 E CB 0.629 30.361 29.700 0.054 0.000 1.210 567 E HN 0.606 nan 8.360 nan 0.000 0.477 568 L N 0.405 121.572 121.223 -0.093 0.000 2.083 568 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 568 L C 1.018 178.005 176.870 0.195 0.000 1.083 568 L CA 0.904 55.631 54.840 -0.188 0.000 0.752 568 L CB -0.322 41.436 42.059 -0.502 0.000 0.899 568 L HN 0.406 nan 8.230 nan 0.000 0.433 569 D N -0.332 120.161 120.400 0.155 0.000 2.772 569 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 569 D C -0.040 176.409 176.300 0.247 0.000 1.143 569 D CA 0.283 54.407 54.000 0.208 0.000 0.700 569 D CB -1.008 39.944 40.800 0.254 0.000 1.076 569 D HN 0.096 nan 8.370 nan 0.000 0.430 570 L N 0.961 122.252 121.223 0.113 0.000 2.485 570 L HA 0.275 4.615 4.340 -0.000 0.000 0.279 570 L C 0.767 177.747 176.870 0.183 0.000 1.124 570 L CA 0.010 54.792 54.840 -0.096 0.000 0.888 570 L CB -0.033 41.934 42.059 -0.154 0.000 1.217 570 L HN 0.324 nan 8.230 nan 0.000 0.464 571 L N 5.918 127.278 121.223 0.229 0.000 3.742 571 L HA -0.306 4.033 4.340 -0.000 0.000 0.431 571 L C 1.225 178.138 176.870 0.071 0.000 1.220 571 L CA 0.642 55.624 54.840 0.236 0.000 0.863 571 L CB -2.257 39.955 42.059 0.255 0.000 1.751 571 L HN 1.115 nan 8.230 nan 0.000 0.922 572 G N -2.465 106.353 108.800 0.030 0.000 2.143 572 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 572 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 572 G C -0.244 174.426 174.900 -0.382 0.000 0.991 572 G CA 0.315 45.302 45.100 -0.188 0.000 0.689 572 G HN 0.490 nan 8.290 nan 0.000 0.522 573 W N 0.046 121.377 121.300 0.052 0.000 2.706 573 W HA 0.758 5.418 4.660 -0.000 0.000 0.346 573 W C 0.394 176.914 176.519 0.001 0.000 1.071 573 W CA -0.718 56.637 57.345 0.016 0.000 1.206 573 W CB 1.857 31.306 29.460 -0.017 0.000 1.413 573 W HN 0.139 nan 8.180 nan 0.000 0.542 574 S N 0.693 116.567 115.700 0.290 0.000 2.648 574 S HA 0.849 5.318 4.470 -0.000 0.000 0.305 574 S C -0.799 173.885 174.600 0.140 0.000 1.094 574 S CA -0.826 57.462 58.200 0.146 0.000 0.983 574 S CB 1.602 64.880 63.200 0.129 0.000 1.101 574 S HN 0.504 nan 8.310 nan 0.000 0.514 575 A N 1.210 124.068 122.820 0.063 0.000 2.318 575 A HA 0.785 5.105 4.320 -0.000 0.000 0.324 575 A C -0.244 177.450 177.584 0.184 0.000 1.170 575 A CA -0.530 51.564 52.037 0.095 0.000 0.810 575 A CB 1.166 20.136 19.000 -0.049 0.000 1.198 575 A HN 0.585 nan 8.150 nan 0.000 0.484 576 T N 0.738 115.457 114.554 0.275 0.000 2.916 576 T HA 0.511 4.861 4.350 -0.000 0.000 0.305 576 T C -1.728 173.164 174.700 0.320 0.000 1.119 576 T CA -0.253 62.016 62.100 0.282 0.000 1.008 576 T CB 0.896 69.882 68.868 0.197 0.000 1.129 576 T HN 0.586 nan 8.240 nan 0.000 0.480 577 Y N 3.075 123.429 120.300 0.090 0.000 2.327 577 Y HA 0.584 5.134 4.550 -0.000 0.000 0.336 577 Y C 0.254 176.139 175.900 -0.025 0.000 1.035 577 Y CA -0.432 57.596 58.100 -0.121 0.000 1.165 577 Y CB 1.088 39.351 38.460 -0.330 0.000 1.181 577 Y HN 0.514 nan 8.280 nan 0.000 0.494 578 S N 6.145 121.429 115.700 -0.692 0.000 2.430 578 S HA 0.251 4.721 4.470 -0.000 0.000 0.289 578 S C 0.732 174.816 174.600 -0.859 0.000 1.143 578 S CA -0.613 57.271 58.200 -0.527 0.000 1.067 578 S CB 0.603 63.613 63.200 -0.318 0.000 0.964 578 S HN 0.960 nan 8.310 nan 0.000 0.485 579 K N 3.094 123.250 120.400 -0.406 0.000 2.097 579 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 579 K C 0.937 177.449 176.600 -0.147 0.000 1.050 579 K CA 1.388 57.570 56.287 -0.175 0.000 0.938 579 K CB -0.064 32.453 32.500 0.028 0.000 0.718 579 K HN 0.623 nan 8.250 nan 0.000 0.442 580 D N 0.936 121.252 120.400 -0.140 0.000 2.117 580 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 580 D C 1.789 178.015 176.300 -0.123 0.000 0.987 580 D CA 1.119 55.057 54.000 -0.103 0.000 0.829 580 D CB 0.037 40.785 40.800 -0.087 0.000 0.961 580 D HN 0.163 nan 8.370 nan 0.000 0.460 581 L N -1.083 120.027 121.223 -0.188 0.000 2.463 581 L HA 0.206 4.545 4.340 -0.000 0.000 0.219 581 L C 1.458 178.230 176.870 -0.163 0.000 1.088 581 L CA 0.450 55.191 54.840 -0.164 0.000 0.849 581 L CB 0.111 42.068 42.059 -0.169 0.000 1.012 581 L HN 0.110 nan 8.230 nan 0.000 0.468 582 G N 1.784 110.425 108.800 -0.265 0.000 2.147 582 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 582 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 582 G C 0.114 174.984 174.900 -0.050 0.000 1.005 582 G CA 0.652 45.682 45.100 -0.116 0.000 0.713 582 G HN 0.474 nan 8.290 nan 0.000 0.515 583 I N -4.712 115.672 120.570 -0.309 0.000 3.191 583 I HA 0.774 4.944 4.170 -0.000 0.000 0.313 583 I C -0.175 175.815 176.117 -0.211 0.000 1.193 583 I CA -2.365 58.874 61.300 -0.101 0.000 0.968 583 I CB 1.034 39.037 38.000 0.004 0.000 1.262 583 I HN -0.104 nan 8.210 nan 0.000 0.456 584 Y N 2.192 122.563 120.300 0.118 0.000 2.359 584 Y HA 0.532 5.082 4.550 -0.000 0.000 0.330 584 Y C 0.522 176.436 175.900 0.024 0.000 1.143 584 Y CA -0.256 57.905 58.100 0.101 0.000 1.318 584 Y CB 1.154 39.678 38.460 0.106 0.000 1.234 584 Y HN 0.455 nan 8.280 nan 0.000 0.522 585 V N 1.152 121.178 119.914 0.187 0.000 2.914 585 V HA 0.718 4.838 4.120 -0.000 0.000 0.314 585 V C -2.872 173.327 176.094 0.174 0.000 1.084 585 V CA -3.155 59.218 62.300 0.121 0.000 0.963 585 V CB 2.055 33.928 31.823 0.083 0.000 1.025 585 V HN 0.523 nan 8.190 nan 0.000 0.432 586 P HA 0.415 nan 4.420 nan 0.000 0.285 586 P C -0.882 176.657 177.300 0.397 0.000 1.259 586 P CA -0.233 62.902 63.100 0.059 0.000 0.794 586 P CB 1.709 33.075 31.700 -0.557 0.000 0.940 587 V N 4.769 124.935 119.914 0.419 0.000 2.448 587 V HA 0.153 4.273 4.120 -0.000 0.000 0.295 587 V C 0.575 176.935 176.094 0.444 0.000 1.025 587 V CA -1.081 61.463 62.300 0.407 0.000 0.859 587 V CB 1.596 33.495 31.823 0.127 0.000 0.988 587 V HN 0.472 nan 8.190 nan 0.000 0.431 588 L N 4.375 125.850 121.223 0.420 0.000 2.559 588 L HA 0.076 4.416 4.340 -0.000 0.000 0.282 588 L C 0.752 177.656 176.870 0.056 0.000 1.232 588 L CA 0.700 55.587 54.840 0.078 0.000 0.885 588 L CB 0.065 42.048 42.059 -0.126 0.000 1.131 588 L HN 0.809 nan 8.230 nan 0.000 0.498 589 D N 3.918 124.310 120.400 -0.014 0.000 2.648 589 D HA -0.143 4.497 4.640 -0.000 0.000 0.229 589 D C 0.918 177.245 176.300 0.045 0.000 1.119 589 D CA 0.493 54.515 54.000 0.036 0.000 0.850 589 D CB 0.713 41.519 40.800 0.009 0.000 1.169 589 D HN 0.725 nan 8.370 nan 0.000 0.489 590 K N 3.326 123.772 120.400 0.077 0.000 2.020 590 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 590 K C 1.617 178.262 176.600 0.075 0.000 1.050 590 K CA 1.381 57.694 56.287 0.044 0.000 0.929 590 K CB 0.105 32.633 32.500 0.048 0.000 0.714 590 K HN 0.527 nan 8.250 nan 0.000 0.443 591 E N -0.140 120.088 120.200 0.046 0.000 2.150 591 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 591 E C 2.227 178.877 176.600 0.084 0.000 0.985 591 E CA 0.839 57.271 56.400 0.053 0.000 0.814 591 E CB 0.038 29.756 29.700 0.030 0.000 0.752 591 E HN 0.275 nan 8.360 nan 0.000 0.466 592 R N 0.395 120.933 120.500 0.063 0.000 2.075 592 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 592 R C 2.421 178.773 176.300 0.087 0.000 1.126 592 R CA 0.701 56.838 56.100 0.062 0.000 0.963 592 R CB -0.262 30.049 30.300 0.019 0.000 0.858 592 R HN 0.077 nan 8.270 nan 0.000 0.435 593 L N -0.133 121.122 121.223 0.054 0.000 1.994 593 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 593 L C 1.706 178.546 176.870 -0.050 0.000 1.071 593 L CA 1.823 56.649 54.840 -0.024 0.000 0.745 593 L CB -0.489 41.481 42.059 -0.149 0.000 0.892 593 L HN 0.024 nan 8.230 nan 0.000 0.431 594 F N -1.313 118.586 119.950 -0.085 0.000 2.206 594 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 594 F C 2.817 178.616 175.800 -0.001 0.000 1.090 594 F CA 1.504 59.466 58.000 -0.063 0.000 1.323 594 F CB -1.188 37.749 39.000 -0.104 0.000 1.028 594 F HN 0.308 nan 8.300 nan 0.000 0.492 595 C N -0.829 118.587 119.300 0.193 0.000 2.413 595 C HA -0.180 4.279 4.460 -0.000 0.000 0.276 595 C C 3.104 178.182 174.990 0.147 0.000 1.248 595 C CA 1.789 60.902 59.018 0.159 0.000 1.742 595 C CB -1.209 26.606 27.740 0.124 0.000 2.017 595 C HN 0.431 nan 8.230 nan 0.000 0.481 596 S N 0.092 115.865 115.700 0.121 0.000 2.345 596 S HA -0.018 4.452 4.470 -0.000 0.000 0.220 596 S C 2.205 176.841 174.600 0.060 0.000 1.031 596 S CA 1.295 59.556 58.200 0.102 0.000 0.996 596 S CB -0.530 62.794 63.200 0.206 0.000 0.882 596 S HN 0.811 nan 8.310 nan 0.000 0.445 597 A N 1.480 124.317 122.820 0.028 0.000 1.948 597 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 597 A C 2.284 179.853 177.584 -0.025 0.000 1.177 597 A CA 1.966 53.988 52.037 -0.025 0.000 0.636 597 A CB -1.073 17.833 19.000 -0.157 0.000 0.815 597 A HN 0.545 nan 8.150 nan 0.000 0.449 598 A N -1.779 121.034 122.820 -0.011 0.000 1.858 598 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 598 A C 0.736 178.133 177.584 -0.310 0.000 1.190 598 A CA 1.018 52.980 52.037 -0.126 0.000 0.617 598 A CB -0.396 18.572 19.000 -0.054 0.000 0.827 598 A HN 0.512 nan 8.150 nan 0.000 0.443 599 Y N 0.624 120.928 120.300 0.006 0.000 2.712 599 Y HA 0.349 4.899 4.550 -0.000 0.000 0.328 599 Y C -2.443 173.353 175.900 -0.174 0.000 0.995 599 Y CA -3.025 55.059 58.100 -0.028 0.000 1.283 599 Y CB 1.007 39.499 38.460 0.053 0.000 1.092 599 Y HN 0.198 nan 8.280 nan 0.000 0.519 600 P HA 0.059 nan 4.420 nan 0.000 0.271 600 P C -0.118 176.965 177.300 -0.363 0.000 1.218 600 P CA -0.247 62.746 63.100 -0.179 0.000 0.780 600 P CB 1.425 33.046 31.700 -0.131 0.000 0.901 601 K N 0.921 121.044 120.400 -0.462 0.000 2.181 601 K HA 0.292 4.612 4.320 -0.000 0.000 0.239 601 K C 1.163 177.634 176.600 -0.215 0.000 1.073 601 K CA 0.099 56.016 56.287 -0.617 0.000 0.839 601 K CB -0.130 32.170 32.500 -0.333 0.000 1.116 601 K HN 0.599 nan 8.250 nan 0.000 0.518 602 G N -1.416 107.366 108.800 -0.030 0.000 2.753 602 G HA2 0.503 4.463 3.960 -0.000 0.000 0.285 602 G HA3 0.503 4.463 3.960 -0.000 0.000 0.285 602 G C 0.181 175.155 174.900 0.123 0.000 1.344 602 G CA -0.172 45.041 45.100 0.188 0.000 1.050 602 G HN 0.442 nan 8.290 nan 0.000 0.532 603 V N -2.605 117.368 119.914 0.098 0.000 3.477 603 V HA 0.596 4.716 4.120 -0.000 0.000 0.297 603 V C 1.206 177.352 176.094 0.086 0.000 1.433 603 V CA 1.897 64.216 62.300 0.032 0.000 1.052 603 V CB -1.206 30.482 31.823 -0.225 0.000 0.895 603 V HN 1.804 nan 8.190 nan 0.000 0.438 604 E N 0.367 120.651 120.200 0.140 0.000 3.431 604 E HA -0.198 4.152 4.350 -0.000 0.000 0.294 604 E C 0.963 177.615 176.600 0.087 0.000 1.487 604 E CA 1.769 58.253 56.400 0.141 0.000 2.027 604 E CB -2.190 27.595 29.700 0.140 0.000 1.966 604 E HN 2.549 nan 8.360 nan 0.000 0.482 605 N N 0.608 119.357 118.700 0.082 0.000 2.030 605 N HA 0.393 5.133 4.740 -0.000 0.000 0.292 605 N C 1.452 176.988 175.510 0.043 0.000 1.315 605 N CA 2.245 55.332 53.050 0.062 0.000 0.810 605 N CB -0.703 37.824 38.487 0.067 0.000 1.048 605 N HN 1.820 nan 8.380 nan 0.000 0.492 606 K N 0.749 121.163 120.400 0.023 0.000 2.365 606 K HA 0.390 4.710 4.320 -0.000 0.000 0.199 606 K C 2.363 178.979 176.600 0.026 0.000 1.045 606 K CA 1.816 58.101 56.287 -0.002 0.000 0.962 606 K CB -1.332 31.163 32.500 -0.010 0.000 0.759 606 K HN 2.464 nan 8.250 nan 0.000 0.469 607 S N -2.435 113.296 115.700 0.050 0.000 2.749 607 S HA 0.022 4.492 4.470 -0.000 0.000 0.265 607 S C 2.257 176.896 174.600 0.064 0.000 1.307 607 S CA 2.377 60.620 58.200 0.072 0.000 1.452 607 S CB -2.467 60.802 63.200 0.115 0.000 1.834 607 S HN 2.349 nan 8.310 nan 0.000 0.691 608 L N -2.351 118.899 121.223 0.046 0.000 3.983 608 L HA 0.109 4.449 4.340 -0.000 0.000 0.453 608 L C 2.527 179.432 176.870 0.059 0.000 1.119 608 L CA 3.312 58.175 54.840 0.040 0.000 0.924 608 L CB -3.182 38.896 42.059 0.031 0.000 1.831 608 L HN 2.376 nan 8.230 nan 0.000 1.001 609 K N -1.327 119.126 120.400 0.088 0.000 2.020 609 K HA 0.259 4.579 4.320 -0.000 0.000 0.212 609 K C 3.110 179.772 176.600 0.103 0.000 1.050 609 K CA 2.835 59.190 56.287 0.114 0.000 0.929 609 K CB -1.260 31.348 32.500 0.180 0.000 0.714 609 K HN 2.929 nan 8.250 nan 0.000 0.443 610 S N -2.540 113.222 115.700 0.104 0.000 3.146 610 S HA -0.057 4.413 4.470 -0.000 0.000 0.285 610 S C 0.957 175.645 174.600 0.147 0.000 1.293 610 S CA 2.357 60.618 58.200 0.101 0.000 1.137 610 S CB -2.772 60.473 63.200 0.074 0.000 1.357 610 S HN 1.866 nan 8.310 nan 0.000 0.678 611 K N 0.544 121.072 120.400 0.213 0.000 2.315 611 K HA 0.752 5.072 4.320 -0.000 0.000 0.281 611 K C 1.111 178.020 176.600 0.515 0.000 1.086 611 K CA 0.537 56.945 56.287 0.202 0.000 1.042 611 K CB -1.415 31.191 32.500 0.177 0.000 0.949 611 K HN 2.082 nan 8.250 nan 0.000 0.450 612 V N 1.640 121.730 119.914 0.293 0.000 3.175 612 V HA 0.211 4.331 4.120 -0.000 0.000 0.269 612 V C 1.480 177.637 176.094 0.104 0.000 1.013 612 V CA 1.926 64.346 62.300 0.201 0.000 1.161 612 V CB -1.281 30.658 31.823 0.194 0.000 0.746 612 V HN 1.774 nan 8.190 nan 0.000 0.424 613 G N 3.116 111.825 108.800 -0.151 0.000 3.468 613 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 613 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 613 G C 0.647 175.227 174.900 -0.533 0.000 0.968 613 G CA 0.466 45.219 45.100 -0.577 0.000 0.851 613 G HN 0.792 nan 8.290 nan 0.000 0.524 614 I N 2.241 122.634 120.570 -0.295 0.000 4.226 614 I HA -0.364 3.806 4.170 -0.000 0.000 0.124 614 I C 3.001 179.045 176.117 -0.121 0.000 0.698 614 I CA 3.399 64.620 61.300 -0.132 0.000 0.808 614 I CB -1.504 36.486 38.000 -0.017 0.000 0.654 614 I HN 0.630 nan 8.210 nan 0.000 0.242 615 E N 0.057 120.180 120.200 -0.128 0.000 2.023 615 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 615 E C 1.930 178.485 176.600 -0.074 0.000 1.003 615 E CA 1.831 58.172 56.400 -0.098 0.000 0.809 615 E CB -0.896 28.739 29.700 -0.108 0.000 0.755 615 E HN 0.666 nan 8.360 nan 0.000 0.449 616 Q N -0.389 119.316 119.800 -0.157 0.000 2.118 616 Q HA -0.228 4.112 4.340 -0.000 0.000 0.211 616 Q C 2.567 178.461 176.000 -0.177 0.000 0.998 616 Q CA 2.073 57.778 55.803 -0.164 0.000 0.872 616 Q CB -0.842 27.780 28.738 -0.192 0.000 0.925 616 Q HN 0.656 nan 8.270 nan 0.000 0.414 617 A N -0.136 122.461 122.820 -0.372 0.000 1.883 617 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 617 A C 1.974 179.534 177.584 -0.040 0.000 1.186 617 A CA 1.504 53.320 52.037 -0.369 0.000 0.624 617 A CB -1.022 17.393 19.000 -0.974 0.000 0.822 617 A HN 0.373 nan 8.150 nan 0.000 0.444 618 Y N 0.127 120.369 120.300 -0.096 0.000 2.114 618 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 618 Y C 2.485 178.376 175.900 -0.015 0.000 1.165 618 Y CA 2.276 60.419 58.100 0.072 0.000 1.148 618 Y CB -0.305 38.179 38.460 0.039 0.000 0.972 618 Y HN 0.277 nan 8.280 nan 0.000 0.504 619 K N -0.499 119.947 120.400 0.077 0.000 2.059 619 K HA -0.231 4.088 4.320 -0.000 0.000 0.212 619 K C 1.927 178.511 176.600 -0.027 0.000 1.050 619 K CA 2.006 58.259 56.287 -0.056 0.000 0.927 619 K CB -0.603 31.910 32.500 0.020 0.000 0.714 619 K HN 0.106 nan 8.250 nan 0.000 0.447 620 V N 0.775 120.713 119.914 0.040 0.000 2.250 620 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 620 V C 2.249 178.334 176.094 -0.015 0.000 1.060 620 V CA 2.034 64.360 62.300 0.044 0.000 1.030 620 V CB -0.657 31.180 31.823 0.023 0.000 0.643 620 V HN 0.126 nan 8.190 nan 0.000 0.445 621 V N 0.064 119.961 119.914 -0.027 0.000 2.287 621 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 621 V C 2.544 178.597 176.094 -0.069 0.000 1.053 621 V CA 2.531 64.786 62.300 -0.076 0.000 1.027 621 V CB -0.921 30.882 31.823 -0.033 0.000 0.646 621 V HN 0.530 nan 8.190 nan 0.000 0.447 622 R N -0.524 119.920 120.500 -0.093 0.000 2.097 622 R HA -0.228 4.112 4.340 -0.000 0.000 0.236 622 R C 2.330 178.537 176.300 -0.155 0.000 1.135 622 R CA 2.464 58.455 56.100 -0.181 0.000 0.934 622 R CB -0.524 29.528 30.300 -0.413 0.000 0.846 622 R HN 0.599 nan 8.270 nan 0.000 0.431 623 Y N 0.035 120.333 120.300 -0.003 0.000 2.286 623 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 623 Y C 2.539 178.407 175.900 -0.053 0.000 1.124 623 Y CA 0.393 58.480 58.100 -0.022 0.000 1.178 623 Y CB 0.158 38.600 38.460 -0.029 0.000 1.010 623 Y HN 0.124 nan 8.280 nan 0.000 0.536 624 E N 0.411 120.628 120.200 0.028 0.000 2.072 624 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 624 E C 2.393 178.884 176.600 -0.182 0.000 0.985 624 E CA 1.064 57.394 56.400 -0.117 0.000 0.801 624 E CB -0.485 29.068 29.700 -0.246 0.000 0.750 624 E HN 0.447 nan 8.360 nan 0.000 0.452 625 A N 1.412 124.128 122.820 -0.174 0.000 1.933 625 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 625 A C 2.386 180.002 177.584 0.053 0.000 1.175 625 A CA 0.880 52.868 52.037 -0.082 0.000 0.628 625 A CB -0.720 18.385 19.000 0.175 0.000 0.814 625 A HN 0.171 nan 8.150 nan 0.000 0.444 626 L N -0.800 120.486 121.223 0.105 0.000 2.013 626 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 626 L C 2.996 179.876 176.870 0.017 0.000 1.073 626 L CA 1.649 56.523 54.840 0.057 0.000 0.753 626 L CB -0.418 41.700 42.059 0.098 0.000 0.890 626 L HN 0.426 nan 8.230 nan 0.000 0.432 627 R N -0.653 119.884 120.500 0.061 0.000 2.070 627 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 627 R C 2.154 178.601 176.300 0.246 0.000 1.138 627 R CA 1.365 57.545 56.100 0.132 0.000 0.936 627 R CB -0.925 29.429 30.300 0.091 0.000 0.839 627 R HN 0.187 nan 8.270 nan 0.000 0.429 628 L N 1.392 122.676 121.223 0.103 0.000 2.034 628 L HA -0.227 4.112 4.340 -0.000 0.000 0.217 628 L C 2.502 179.648 176.870 0.461 0.000 1.077 628 L CA 1.767 56.680 54.840 0.122 0.000 0.769 628 L CB -0.607 41.330 42.059 -0.202 0.000 0.890 628 L HN 0.142 nan 8.230 nan 0.000 0.435 629 V N -3.478 116.676 119.914 0.400 0.000 2.343 629 V HA 0.100 4.220 4.120 -0.000 0.000 0.247 629 V C 1.885 178.330 176.094 0.585 0.000 1.051 629 V CA 1.743 64.367 62.300 0.540 0.000 1.036 629 V CB -1.007 30.777 31.823 -0.065 0.000 0.654 629 V HN 0.522 nan 8.190 nan 0.000 0.451 630 G N -1.490 107.515 108.800 0.341 0.000 4.251 630 G HA2 0.158 4.118 3.960 -0.000 0.000 0.147 630 G HA3 0.158 4.118 3.960 -0.000 0.000 0.147 630 G C 1.160 175.965 174.900 -0.157 0.000 1.014 630 G CA 0.410 45.541 45.100 0.052 0.000 0.831 630 G HN 0.723 nan 8.290 nan 0.000 0.539 631 G N 1.842 110.645 108.800 0.004 0.000 2.503 631 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 631 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 631 G C 1.669 176.650 174.900 0.134 0.000 1.131 631 G CA 1.483 46.608 45.100 0.042 0.000 0.756 631 G HN 0.709 nan 8.290 nan 0.000 0.572 632 W N 0.938 122.355 121.300 0.195 0.000 2.401 632 W HA -0.110 4.549 4.660 -0.000 0.000 0.264 632 W C 1.117 177.815 176.519 0.298 0.000 1.209 632 W CA 0.826 58.319 57.345 0.247 0.000 1.170 632 W CB -0.550 28.986 29.460 0.127 0.000 1.134 632 W HN 0.365 nan 8.180 nan 0.000 0.587 633 N N -0.793 117.665 118.700 -0.402 0.000 2.187 633 N HA 0.042 4.782 4.740 -0.000 0.000 0.212 633 N C -1.296 173.883 175.510 -0.552 0.000 1.152 633 N CA -0.167 52.508 53.050 -0.625 0.000 0.872 633 N CB -0.166 37.535 38.487 -1.310 0.000 1.025 633 N HN -0.013 nan 8.380 nan 0.000 0.514 634 Y N -0.330 119.930 120.300 -0.066 0.000 2.426 634 Y HA 0.399 4.949 4.550 -0.000 0.000 0.325 634 Y C -1.721 174.222 175.900 0.071 0.000 0.989 634 Y CA -2.200 55.923 58.100 0.039 0.000 1.284 634 Y CB 1.916 40.455 38.460 0.132 0.000 1.104 634 Y HN -0.003 nan 8.280 nan 0.000 0.481 635 P HA -0.274 nan 4.420 nan 0.000 0.216 635 P C 1.625 179.005 177.300 0.133 0.000 1.167 635 P CA 1.838 65.001 63.100 0.106 0.000 0.914 635 P CB 0.466 32.213 31.700 0.079 0.000 0.793 636 L N -2.003 119.320 121.223 0.166 0.000 1.976 636 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 636 L C 2.522 179.470 176.870 0.131 0.000 1.071 636 L CA 1.180 56.114 54.840 0.157 0.000 0.746 636 L CB -1.204 40.965 42.059 0.183 0.000 0.890 636 L HN -0.006 nan 8.230 nan 0.000 0.432 637 L N 0.759 122.071 121.223 0.148 0.000 2.043 637 L HA -0.273 4.066 4.340 -0.000 0.000 0.212 637 L C 2.126 179.027 176.870 0.052 0.000 1.075 637 L CA 2.184 57.053 54.840 0.049 0.000 0.752 637 L CB -0.914 41.087 42.059 -0.097 0.000 0.891 637 L HN 0.325 nan 8.230 nan 0.000 0.432 638 N N -0.332 118.438 118.700 0.117 0.000 2.006 638 N HA -0.304 4.436 4.740 -0.000 0.000 0.196 638 N C 1.966 177.540 175.510 0.107 0.000 1.057 638 N CA 2.034 55.173 53.050 0.148 0.000 0.853 638 N CB -0.287 38.343 38.487 0.238 0.000 1.051 638 N HN 0.269 nan 8.380 nan 0.000 0.423 639 K N 0.145 120.606 120.400 0.102 0.000 2.044 639 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 639 K C 1.846 178.458 176.600 0.020 0.000 1.049 639 K CA 1.607 57.936 56.287 0.071 0.000 0.927 639 K CB -0.840 31.705 32.500 0.075 0.000 0.713 639 K HN 0.347 nan 8.250 nan 0.000 0.443 640 A N 0.043 122.869 122.820 0.011 0.000 1.883 640 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 640 A C 2.544 180.014 177.584 -0.190 0.000 1.186 640 A CA 1.911 53.913 52.037 -0.059 0.000 0.624 640 A CB -1.225 17.760 19.000 -0.026 0.000 0.822 640 A HN 0.552 nan 8.150 nan 0.000 0.444 641 C N -0.937 118.277 119.300 -0.144 0.000 2.429 641 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 641 C C 2.713 177.604 174.990 -0.165 0.000 1.262 641 C CA 1.319 60.218 59.018 -0.199 0.000 1.733 641 C CB -0.981 26.782 27.740 0.039 0.000 2.010 641 C HN 0.722 nan 8.230 nan 0.000 0.483 642 K N 0.903 121.268 120.400 -0.058 0.000 2.002 642 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 642 K C 1.743 178.300 176.600 -0.071 0.000 1.048 642 K CA 1.904 58.174 56.287 -0.028 0.000 0.930 642 K CB -0.233 32.284 32.500 0.030 0.000 0.714 642 K HN 0.386 nan 8.250 nan 0.000 0.438 643 N N 1.197 119.842 118.700 -0.092 0.000 2.069 643 N HA -0.150 4.590 4.740 -0.000 0.000 0.191 643 N C 1.420 176.836 175.510 -0.155 0.000 1.031 643 N CA 1.575 54.564 53.050 -0.102 0.000 0.852 643 N CB -0.496 37.934 38.487 -0.094 0.000 1.018 643 N HN 0.245 nan 8.380 nan 0.000 0.423 644 N N 0.312 118.836 118.700 -0.292 0.000 2.244 644 N HA -0.004 4.736 4.740 -0.000 0.000 0.183 644 N C 1.480 176.887 175.510 -0.171 0.000 1.016 644 N CA 1.014 53.846 53.050 -0.365 0.000 0.866 644 N CB -0.418 37.539 38.487 -0.884 0.000 0.980 644 N HN 0.269 nan 8.380 nan 0.000 0.430 645 A N 0.493 123.244 122.820 -0.115 0.000 1.855 645 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 645 A C 2.383 179.973 177.584 0.009 0.000 1.191 645 A CA 1.786 53.852 52.037 0.048 0.000 0.613 645 A CB -1.277 17.754 19.000 0.052 0.000 0.829 645 A HN 0.321 nan 8.150 nan 0.000 0.442 646 G N -0.388 108.400 108.800 -0.020 0.000 2.440 646 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 646 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 646 G C 1.748 176.646 174.900 -0.002 0.000 1.154 646 G CA 1.690 46.784 45.100 -0.010 0.000 0.767 646 G HN 0.815 nan 8.290 nan 0.000 0.552 647 A N 1.313 124.119 122.820 -0.022 0.000 1.865 647 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 647 A C 2.858 180.453 177.584 0.019 0.000 1.191 647 A CA 2.676 54.705 52.037 -0.013 0.000 0.623 647 A CB -0.992 17.973 19.000 -0.060 0.000 0.826 647 A HN 0.907 nan 8.150 nan 0.000 0.444 648 A N -0.842 121.979 122.820 0.001 0.000 1.930 648 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 648 A C 2.251 179.857 177.584 0.037 0.000 1.175 648 A CA 1.710 53.749 52.037 0.003 0.000 0.627 648 A CB -0.468 18.532 19.000 0.000 0.000 0.815 648 A HN 0.562 nan 8.150 nan 0.000 0.443 649 R N -0.471 120.048 120.500 0.032 0.000 2.073 649 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 649 R C 2.411 178.740 176.300 0.048 0.000 1.134 649 R CA 1.494 57.614 56.100 0.034 0.000 0.952 649 R CB -0.225 30.089 30.300 0.023 0.000 0.850 649 R HN 0.503 nan 8.270 nan 0.000 0.433 650 R N -0.982 119.549 120.500 0.051 0.000 2.096 650 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 650 R C 2.378 178.714 176.300 0.059 0.000 1.127 650 R CA 1.347 57.474 56.100 0.046 0.000 0.968 650 R CB -0.512 29.811 30.300 0.039 0.000 0.861 650 R HN 0.454 nan 8.270 nan 0.000 0.440 651 H N 0.820 119.879 119.070 -0.017 0.000 2.321 651 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 651 H C 2.068 177.385 175.328 -0.017 0.000 1.087 651 H CA 1.648 57.683 56.048 -0.022 0.000 1.319 651 H CB 0.142 29.883 29.762 -0.036 0.000 1.379 651 H HN 0.128 nan 8.280 nan 0.000 0.501 652 L N 0.406 121.684 121.223 0.091 0.000 2.240 652 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 652 L C 3.056 179.976 176.870 0.083 0.000 1.106 652 L CA 1.027 55.901 54.840 0.056 0.000 0.793 652 L CB -0.501 41.549 42.059 -0.015 0.000 0.927 652 L HN 0.371 nan 8.230 nan 0.000 0.446 653 E N 0.858 121.093 120.200 0.060 0.000 2.085 653 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 653 E C 2.290 178.906 176.600 0.027 0.000 0.994 653 E CA 1.635 58.065 56.400 0.050 0.000 0.801 653 E CB -0.675 29.046 29.700 0.034 0.000 0.743 653 E HN 0.576 nan 8.360 nan 0.000 0.453 654 A N 0.563 123.379 122.820 -0.006 0.000 1.898 654 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 654 A C 2.297 179.866 177.584 -0.025 0.000 1.183 654 A CA 1.603 53.623 52.037 -0.030 0.000 0.622 654 A CB -0.134 18.824 19.000 -0.070 0.000 0.824 654 A HN 0.384 nan 8.150 nan 0.000 0.444 655 K N -1.494 118.889 120.400 -0.029 0.000 2.281 655 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 655 K C 1.360 177.989 176.600 0.049 0.000 1.046 655 K CA 0.796 57.083 56.287 -0.001 0.000 0.938 655 K CB -0.166 32.340 32.500 0.011 0.000 0.737 655 K HN 0.703 nan 8.250 nan 0.000 0.458 656 G N 0.766 109.607 108.800 0.069 0.000 2.339 656 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.209 656 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.209 656 G C 0.187 175.147 174.900 0.101 0.000 1.015 656 G CA -0.193 44.947 45.100 0.066 0.000 0.635 656 G HN 0.280 nan 8.290 nan 0.000 0.499 657 F N 4.436 124.381 119.950 -0.008 0.000 2.517 657 F HA 0.344 4.871 4.527 -0.000 0.000 0.398 657 F C -1.248 174.555 175.800 0.005 0.000 1.005 657 F CA 0.175 58.170 58.000 -0.010 0.000 1.221 657 F CB 0.704 39.687 39.000 -0.029 0.000 0.936 657 F HN 0.066 nan 8.300 nan 0.000 0.557 658 P HA 0.070 nan 4.420 nan 0.000 0.225 658 P C 0.684 177.935 177.300 -0.081 0.000 1.830 658 P CA -0.102 62.867 63.100 -0.218 0.000 1.051 658 P CB 0.526 32.074 31.700 -0.253 0.000 1.929 659 L N 1.910 123.291 121.223 0.264 0.000 2.021 659 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 659 L C 1.642 178.688 176.870 0.294 0.000 1.074 659 L CA 2.145 57.251 54.840 0.442 0.000 0.760 659 L CB -0.871 41.381 42.059 0.320 0.000 0.889 659 L HN 0.118 nan 8.230 nan 0.000 0.433 660 D N -0.104 120.392 120.400 0.160 0.000 2.149 660 D HA -0.254 4.386 4.640 -0.000 0.000 0.194 660 D C 2.154 178.519 176.300 0.108 0.000 1.001 660 D CA 1.917 55.983 54.000 0.109 0.000 0.849 660 D CB -0.141 40.697 40.800 0.062 0.000 0.939 660 D HN 0.696 nan 8.370 nan 0.000 0.449 661 E N 0.417 120.671 120.200 0.091 0.000 2.208 661 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 661 E C 1.715 178.388 176.600 0.122 0.000 0.988 661 E CA 0.536 56.977 56.400 0.069 0.000 0.828 661 E CB -1.063 28.648 29.700 0.018 0.000 0.763 661 E HN 0.381 nan 8.360 nan 0.000 0.478 662 F N 0.357 120.340 119.950 0.055 0.000 2.259 662 F HA 0.165 4.692 4.527 -0.000 0.000 0.298 662 F C 1.850 177.710 175.800 0.100 0.000 1.088 662 F CA 0.921 58.989 58.000 0.113 0.000 1.358 662 F CB 0.206 39.386 39.000 0.299 0.000 1.040 662 F HN 0.117 nan 8.300 nan 0.000 0.505 663 L N -0.163 121.125 121.223 0.107 0.000 2.612 663 L HA 0.176 4.516 4.340 -0.000 0.000 0.230 663 L C 2.341 179.258 176.870 0.078 0.000 1.140 663 L CA 0.324 55.188 54.840 0.039 0.000 0.896 663 L CB -1.013 41.107 42.059 0.101 0.000 1.065 663 L HN 0.203 nan 8.230 nan 0.000 0.447 664 A N 0.713 123.550 122.820 0.028 0.000 1.834 664 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 664 A C 1.372 178.964 177.584 0.013 0.000 1.203 664 A CA 1.405 53.462 52.037 0.033 0.000 0.621 664 A CB -0.302 18.700 19.000 0.004 0.000 0.841 664 A HN 0.309 nan 8.150 nan 0.000 0.446 665 E N 0.602 120.763 120.200 -0.066 0.000 2.232 665 E HA 0.099 4.448 4.350 -0.000 0.000 0.296 665 E C 0.919 177.428 176.600 -0.152 0.000 1.372 665 E CA -0.287 56.038 56.400 -0.125 0.000 1.527 665 E CB -0.236 29.390 29.700 -0.123 0.000 1.424 665 E HN 0.777 nan 8.360 nan 0.000 0.485 666 W N 0.620 121.817 121.300 -0.171 0.000 2.436 666 W HA -0.117 4.543 4.660 -0.000 0.000 0.284 666 W C 1.493 177.936 176.519 -0.128 0.000 1.225 666 W CA 0.863 58.088 57.345 -0.200 0.000 1.271 666 W CB -0.740 28.617 29.460 -0.172 0.000 1.114 666 W HN 0.340 nan 8.180 nan 0.000 0.559 667 S N 1.748 116.893 115.700 -0.925 0.000 2.380 667 S HA -0.273 4.197 4.470 -0.000 0.000 0.229 667 S C 1.691 176.111 174.600 -0.301 0.000 1.043 667 S CA 2.193 59.898 58.200 -0.824 0.000 1.038 667 S CB -0.403 62.384 63.200 -0.688 0.000 0.872 667 S HN 0.291 nan 8.310 nan 0.000 0.456 668 E N 0.689 120.760 120.200 -0.215 0.000 2.268 668 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 668 E C 2.012 178.578 176.600 -0.056 0.000 0.995 668 E CA 0.648 56.980 56.400 -0.113 0.000 0.836 668 E CB -0.285 29.353 29.700 -0.103 0.000 0.763 668 E HN 0.569 nan 8.360 nan 0.000 0.491 669 L N 0.238 121.428 121.223 -0.054 0.000 2.221 669 L HA 0.065 4.405 4.340 -0.000 0.000 0.202 669 L C 1.555 178.459 176.870 0.056 0.000 1.074 669 L CA 0.079 54.904 54.840 -0.025 0.000 0.795 669 L CB 0.022 41.973 42.059 -0.181 0.000 0.960 669 L HN -0.101 nan 8.230 nan 0.000 0.458 670 S N 0.244 116.024 115.700 0.134 0.000 2.592 670 S HA 0.008 4.478 4.470 -0.000 0.000 0.271 670 S C 1.018 175.648 174.600 0.051 0.000 1.326 670 S CA -0.503 57.799 58.200 0.170 0.000 1.024 670 S CB 1.072 64.539 63.200 0.446 0.000 0.921 670 S HN 0.442 nan 8.310 nan 0.000 0.527 671 E N 2.048 122.164 120.200 -0.141 0.000 2.516 671 E HA 0.009 4.358 4.350 -0.000 0.000 0.199 671 E C 0.061 176.423 176.600 -0.397 0.000 1.069 671 E CA 0.885 57.085 56.400 -0.332 0.000 0.876 671 E CB -0.264 29.115 29.700 -0.536 0.000 0.843 671 E HN 0.682 nan 8.360 nan 0.000 0.530 672 F N -0.186 119.907 119.950 0.238 0.000 2.706 672 F HA 0.420 4.947 4.527 -0.000 0.000 0.313 672 F C 2.184 178.249 175.800 0.442 0.000 1.096 672 F CA -0.195 58.019 58.000 0.356 0.000 1.219 672 F CB 0.262 39.578 39.000 0.528 0.000 1.051 672 F HN 0.131 nan 8.300 nan 0.000 0.568 673 G N 0.238 109.277 108.800 0.398 0.000 2.503 673 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.221 673 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.221 673 G C 1.670 176.638 174.900 0.113 0.000 1.131 673 G CA 1.096 46.290 45.100 0.158 0.000 0.756 673 G HN 0.353 nan 8.290 nan 0.000 0.572 674 E N 0.505 120.766 120.200 0.103 0.000 2.118 674 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 674 E C 2.812 179.404 176.600 -0.014 0.000 0.992 674 E CA 1.024 57.438 56.400 0.023 0.000 0.804 674 E CB -0.198 29.526 29.700 0.039 0.000 0.741 674 E HN 0.402 nan 8.360 nan 0.000 0.458 675 A N -0.219 122.636 122.820 0.058 0.000 2.015 675 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 675 A C 1.463 178.906 177.584 -0.235 0.000 1.163 675 A CA 0.815 52.821 52.037 -0.051 0.000 0.646 675 A CB -0.403 18.658 19.000 0.101 0.000 0.806 675 A HN 0.228 nan 8.150 nan 0.000 0.448 676 F N 0.230 120.222 119.950 0.070 0.000 2.664 676 F HA 0.267 4.794 4.527 -0.000 0.000 0.303 676 F C 0.854 176.465 175.800 -0.316 0.000 1.092 676 F CA -0.371 57.630 58.000 0.002 0.000 1.305 676 F CB 0.004 38.994 39.000 -0.017 0.000 1.054 676 F HN 0.145 nan 8.300 nan 0.000 0.565 677 E N -0.146 119.868 120.200 -0.311 0.000 2.404 677 E HA 0.332 4.682 4.350 -0.000 0.000 0.261 677 E C 1.317 177.568 176.600 -0.581 0.000 1.074 677 E CA 0.740 56.920 56.400 -0.366 0.000 0.917 677 E CB 0.519 30.065 29.700 -0.256 0.000 0.965 677 E HN 0.354 nan 8.360 nan 0.000 0.433 678 G N 2.118 110.709 108.800 -0.347 0.000 2.189 678 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.267 678 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.267 678 G C 0.437 175.260 174.900 -0.129 0.000 0.975 678 G CA 0.550 45.489 45.100 -0.268 0.000 0.644 678 G HN 0.468 nan 8.290 nan 0.000 0.537 679 F N 0.389 120.311 119.950 -0.046 0.000 2.656 679 F HA 0.256 4.783 4.527 -0.000 0.000 0.291 679 F C 1.917 177.704 175.800 -0.021 0.000 1.122 679 F CA 0.485 58.469 58.000 -0.027 0.000 1.427 679 F CB -0.893 38.104 39.000 -0.005 0.000 1.125 679 F HN 0.881 nan 8.300 nan 0.000 0.583 680 N N 1.677 120.455 118.700 0.130 0.000 2.669 680 N HA -0.224 4.516 4.740 -0.000 0.000 0.266 680 N C -0.059 175.519 175.510 0.113 0.000 1.024 680 N CA 1.061 54.155 53.050 0.074 0.000 0.766 680 N CB -2.768 35.746 38.487 0.045 0.000 0.898 680 N HN 0.551 nan 8.380 nan 0.000 0.548 681 I N -3.545 117.130 120.570 0.176 0.000 2.441 681 I HA 0.537 4.707 4.170 -0.000 0.000 0.295 681 I C 0.308 176.591 176.117 0.277 0.000 0.994 681 I CA -1.272 60.137 61.300 0.182 0.000 1.144 681 I CB 1.976 40.073 38.000 0.163 0.000 1.314 681 I HN 0.282 nan 8.210 nan 0.000 0.445 682 K N 5.268 125.743 120.400 0.125 0.000 2.326 682 K HA 0.287 4.607 4.320 -0.000 0.000 0.275 682 K C -0.423 176.120 176.600 -0.095 0.000 1.018 682 K CA -0.491 55.830 56.287 0.056 0.000 0.962 682 K CB 0.937 33.435 32.500 -0.004 0.000 0.953 682 K HN 0.750 nan 8.250 nan 0.000 0.475 683 L N 5.804 126.836 121.223 -0.318 0.000 2.382 683 L HA 0.028 4.368 4.340 -0.000 0.000 0.259 683 L C 0.720 177.373 176.870 -0.363 0.000 1.291 683 L CA 0.123 54.595 54.840 -0.614 0.000 1.176 683 L CB -0.185 41.270 42.059 -1.006 0.000 1.373 683 L HN 0.906 nan 8.230 nan 0.000 0.426 684 T N -3.394 110.995 114.554 -0.275 0.000 2.987 684 T HA 0.032 4.382 4.350 -0.000 0.000 0.248 684 T C 0.858 175.432 174.700 -0.209 0.000 0.997 684 T CA -0.036 61.944 62.100 -0.199 0.000 1.013 684 T CB 0.272 69.054 68.868 -0.144 0.000 1.077 684 T HN 0.076 nan 8.240 nan 0.000 0.483 685 V N 3.394 123.155 119.914 -0.255 0.000 5.830 685 V HA -0.206 3.914 4.120 -0.000 0.000 0.274 685 V C 0.845 176.723 176.094 -0.360 0.000 0.632 685 V CA 0.876 62.996 62.300 -0.301 0.000 0.594 685 V CB -3.083 28.594 31.823 -0.243 0.000 0.249 685 V HN 0.994 nan 8.190 nan 0.000 0.697 686 T N -2.879 111.491 114.554 -0.307 0.000 2.888 686 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 686 T C 1.177 175.683 174.700 -0.323 0.000 1.013 686 T CA 0.260 62.203 62.100 -0.262 0.000 0.938 686 T CB 1.761 70.553 68.868 -0.126 0.000 1.298 686 T HN 0.341 nan 8.240 nan 0.000 0.580 687 S N -0.573 115.060 115.700 -0.111 0.000 2.406 687 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 687 S C 1.832 176.371 174.600 -0.101 0.000 1.020 687 S CA 1.296 59.485 58.200 -0.019 0.000 0.965 687 S CB -0.765 62.504 63.200 0.116 0.000 0.798 687 S HN 0.725 nan 8.310 nan 0.000 0.488 688 E N 1.214 121.354 120.200 -0.101 0.000 2.015 688 E HA -0.072 4.277 4.350 -0.000 0.000 0.191 688 E C 2.477 178.988 176.600 -0.149 0.000 0.991 688 E CA 1.501 57.837 56.400 -0.107 0.000 0.802 688 E CB -0.377 29.274 29.700 -0.082 0.000 0.759 688 E HN 0.631 nan 8.360 nan 0.000 0.447 689 S N 0.307 115.904 115.700 -0.172 0.000 2.400 689 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 689 S C 2.027 176.482 174.600 -0.241 0.000 1.025 689 S CA 0.917 59.003 58.200 -0.190 0.000 0.993 689 S CB -0.435 62.651 63.200 -0.190 0.000 0.808 689 S HN 0.163 nan 8.310 nan 0.000 0.478 690 L N 0.855 121.895 121.223 -0.305 0.000 2.156 690 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 690 L C 3.024 179.707 176.870 -0.311 0.000 1.095 690 L CA 1.127 55.733 54.840 -0.390 0.000 0.770 690 L CB -0.540 41.163 42.059 -0.594 0.000 0.914 690 L HN 0.496 nan 8.230 nan 0.000 0.439 691 A N -0.631 122.044 122.820 -0.241 0.000 1.970 691 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 691 A C 2.154 179.640 177.584 -0.163 0.000 1.170 691 A CA 1.354 53.279 52.037 -0.187 0.000 0.645 691 A CB -0.266 18.647 19.000 -0.146 0.000 0.816 691 A HN 0.370 nan 8.150 nan 0.000 0.447 692 E N -0.025 120.077 120.200 -0.164 0.000 2.107 692 E HA -0.131 4.218 4.350 -0.000 0.000 0.191 692 E C 1.748 178.226 176.600 -0.202 0.000 0.982 692 E CA 1.176 57.482 56.400 -0.156 0.000 0.809 692 E CB -0.362 29.256 29.700 -0.136 0.000 0.756 692 E HN 0.432 nan 8.360 nan 0.000 0.459 693 L N 0.526 121.607 121.223 -0.237 0.000 2.141 693 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 693 L C 1.258 177.983 176.870 -0.241 0.000 1.094 693 L CA 1.678 56.327 54.840 -0.317 0.000 0.763 693 L CB -0.282 41.573 42.059 -0.339 0.000 0.908 693 L HN 0.090 nan 8.230 nan 0.000 0.437 694 N N -0.279 118.325 118.700 -0.159 0.000 2.236 694 N HA 0.007 4.747 4.740 -0.000 0.000 0.196 694 N C -0.066 175.387 175.510 -0.095 0.000 1.114 694 N CA 0.082 53.081 53.050 -0.084 0.000 0.859 694 N CB 0.197 38.631 38.487 -0.088 0.000 0.982 694 N HN 0.339 nan 8.380 nan 0.000 0.493 695 K N 2.394 122.723 120.400 -0.119 0.000 2.412 695 K HA 0.126 4.446 4.320 -0.000 0.000 0.284 695 K C -2.508 174.047 176.600 -0.074 0.000 1.046 695 K CA -1.426 54.805 56.287 -0.094 0.000 0.999 695 K CB 0.594 33.036 32.500 -0.097 0.000 0.941 695 K HN -0.119 nan 8.250 nan 0.000 0.474 696 P HA -0.046 nan 4.420 nan 0.000 0.262 696 P C -1.117 176.169 177.300 -0.024 0.000 1.199 696 P CA 0.007 63.092 63.100 -0.025 0.000 0.763 696 P CB 0.542 32.236 31.700 -0.009 0.000 0.790 697 V N 7.185 127.088 119.914 -0.018 0.000 2.483 697 V HA 0.282 4.402 4.120 -0.000 0.000 0.297 697 V C -2.037 174.062 176.094 0.008 0.000 1.027 697 V CA -2.036 60.258 62.300 -0.010 0.000 0.855 697 V CB 1.582 33.394 31.823 -0.019 0.000 0.995 697 V HN 0.468 nan 8.190 nan 0.000 0.424 698 P HA 0.002 nan 4.420 nan 0.000 0.260 698 P C -2.463 174.852 177.300 0.024 0.000 1.147 698 P CA -0.335 62.776 63.100 0.020 0.000 0.758 698 P CB -0.413 31.296 31.700 0.016 0.000 0.744 699 P HA 0.020 nan 4.420 nan 0.000 0.269 699 P C -0.032 177.285 177.300 0.027 0.000 1.209 699 P CA -0.085 63.035 63.100 0.035 0.000 0.776 699 P CB 0.311 32.036 31.700 0.042 0.000 0.876 700 K N 3.169 123.584 120.400 0.024 0.000 2.448 700 K HA 0.165 4.485 4.320 -0.000 0.000 0.278 700 K C -2.301 174.308 176.600 0.016 0.000 1.009 700 K CA -1.478 54.818 56.287 0.015 0.000 0.995 700 K CB -0.745 31.758 32.500 0.005 0.000 0.917 700 K HN 0.325 nan 8.250 nan 0.000 0.481 701 P HA 0.119 nan 4.420 nan 0.000 0.266 701 P C -2.443 174.864 177.300 0.013 0.000 1.195 701 P CA -0.965 62.143 63.100 0.015 0.000 0.768 701 P CB -0.479 31.228 31.700 0.011 0.000 0.838 702 P HA 0.200 nan 4.420 nan 0.000 0.274 702 P C -0.403 176.903 177.300 0.011 0.000 1.231 702 P CA -0.000 63.112 63.100 0.020 0.000 0.790 702 P CB 0.253 31.970 31.700 0.028 0.000 0.951 703 N N 1.728 120.432 118.700 0.007 0.000 2.623 703 N HA 0.322 5.062 4.740 -0.000 0.000 0.256 703 N C -1.793 173.712 175.510 -0.008 0.000 1.045 703 N CA -0.516 52.531 53.050 -0.006 0.000 0.863 703 N CB 0.469 38.945 38.487 -0.019 0.000 1.182 703 N HN -0.037 nan 8.380 nan 0.000 0.523 704 V N 3.144 123.056 119.914 -0.004 0.000 2.495 704 V HA 0.348 4.468 4.120 -0.000 0.000 0.298 704 V C 1.277 177.359 176.094 -0.019 0.000 1.031 704 V CA -0.932 61.365 62.300 -0.006 0.000 0.871 704 V CB 1.501 33.332 31.823 0.013 0.000 0.988 704 V HN 0.576 nan 8.190 nan 0.000 0.432 705 N N 3.078 121.754 118.700 -0.040 0.000 2.025 705 N HA -0.124 4.616 4.740 -0.000 0.000 0.194 705 N C 1.127 176.621 175.510 -0.027 0.000 1.044 705 N CA 1.535 54.554 53.050 -0.051 0.000 0.851 705 N CB 0.009 38.441 38.487 -0.091 0.000 1.036 705 N HN 0.822 nan 8.380 nan 0.000 0.422 706 R N 0.545 121.034 120.500 -0.018 0.000 2.531 706 R HA 0.378 4.718 4.340 -0.000 0.000 0.260 706 R C -2.296 174.012 176.300 0.013 0.000 1.144 706 R CA -1.409 54.692 56.100 0.002 0.000 1.171 706 R CB -1.097 29.209 30.300 0.010 0.000 1.199 706 R HN 0.036 nan 8.270 nan 0.000 0.594 707 P HA -0.025 nan 4.420 nan 0.000 0.265 707 P C -0.204 177.114 177.300 0.030 0.000 1.187 707 P CA -0.162 62.953 63.100 0.025 0.000 0.766 707 P CB 0.372 32.090 31.700 0.029 0.000 0.820 708 V N 3.440 123.372 119.914 0.031 0.000 2.521 708 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 708 V C 1.192 177.310 176.094 0.041 0.000 1.034 708 V CA -0.253 62.068 62.300 0.036 0.000 1.045 708 V CB -0.304 31.540 31.823 0.035 0.000 0.974 708 V HN 0.598 nan 8.190 nan 0.000 0.480 709 N N 3.600 122.328 118.700 0.048 0.000 2.430 709 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 709 N C 0.951 176.493 175.510 0.053 0.000 1.100 709 N CA 0.420 53.500 53.050 0.050 0.000 0.961 709 N CB 1.734 40.254 38.487 0.055 0.000 1.075 709 N HN 0.899 nan 8.380 nan 0.000 0.478 710 T N -0.238 114.346 114.554 0.050 0.000 3.054 710 T HA 0.213 4.563 4.350 -0.000 0.000 0.255 710 T C 1.439 176.171 174.700 0.055 0.000 1.035 710 T CA 0.149 62.281 62.100 0.053 0.000 0.941 710 T CB 0.291 69.187 68.868 0.047 0.000 1.026 710 T HN 0.357 nan 8.240 nan 0.000 0.533 711 G N 1.737 110.567 108.800 0.051 0.000 2.752 711 G HA2 0.495 4.455 3.960 -0.000 0.000 0.209 711 G HA3 0.495 4.455 3.960 -0.000 0.000 0.209 711 G C 0.686 175.620 174.900 0.057 0.000 1.392 711 G CA 0.389 45.517 45.100 0.048 0.000 0.873 711 G HN 1.143 nan 8.290 nan 0.000 0.586 712 G N -2.391 106.444 108.800 0.058 0.000 2.352 712 G HA2 0.308 4.268 3.960 -0.000 0.000 0.302 712 G HA3 0.308 4.268 3.960 -0.000 0.000 0.302 712 G C 0.023 174.958 174.900 0.059 0.000 1.370 712 G CA 0.019 45.161 45.100 0.070 0.000 0.918 712 G HN 0.801 nan 8.290 nan 0.000 0.610 713 L N 0.104 121.370 121.223 0.072 0.000 2.217 713 L HA 0.271 4.611 4.340 -0.000 0.000 0.211 713 L C 2.617 179.506 176.870 0.032 0.000 1.107 713 L CA 2.180 57.056 54.840 0.060 0.000 0.783 713 L CB -0.457 41.656 42.059 0.091 0.000 0.919 713 L HN 0.647 nan 8.230 nan 0.000 0.442 714 K N -0.413 119.998 120.400 0.017 0.000 2.032 714 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 714 K C 2.141 178.729 176.600 -0.020 0.000 1.048 714 K CA 1.603 57.875 56.287 -0.026 0.000 0.927 714 K CB -0.477 31.999 32.500 -0.041 0.000 0.712 714 K HN 0.467 nan 8.250 nan 0.000 0.441 715 A N 0.638 123.457 122.820 -0.001 0.000 1.858 715 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 715 A C 2.363 179.949 177.584 0.002 0.000 1.190 715 A CA 1.811 53.849 52.037 0.002 0.000 0.617 715 A CB -0.857 18.151 19.000 0.014 0.000 0.827 715 A HN 0.081 nan 8.150 nan 0.000 0.443 716 V N 0.034 119.953 119.914 0.008 0.000 2.407 716 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 716 V C 2.732 178.817 176.094 -0.014 0.000 1.055 716 V CA 2.252 64.554 62.300 0.003 0.000 1.049 716 V CB -0.939 30.889 31.823 0.009 0.000 0.662 716 V HN 0.539 nan 8.190 nan 0.000 0.455 717 S N -0.003 115.689 115.700 -0.012 0.000 2.356 717 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 717 S C 1.898 176.477 174.600 -0.035 0.000 1.032 717 S CA 1.713 59.901 58.200 -0.022 0.000 1.005 717 S CB -0.455 62.736 63.200 -0.015 0.000 0.867 717 S HN 0.672 nan 8.310 nan 0.000 0.449 718 N N 1.016 119.697 118.700 -0.031 0.000 2.135 718 N HA -0.007 4.733 4.740 -0.000 0.000 0.186 718 N C 1.996 177.495 175.510 -0.018 0.000 1.027 718 N CA 0.937 53.968 53.050 -0.031 0.000 0.849 718 N CB -0.218 38.249 38.487 -0.032 0.000 1.002 718 N HN 0.369 nan 8.380 nan 0.000 0.425 719 A N 0.915 123.732 122.820 -0.005 0.000 2.032 719 A HA -0.122 4.198 4.320 -0.000 0.000 0.221 719 A C 1.957 179.561 177.584 0.034 0.000 1.165 719 A CA 1.144 53.190 52.037 0.016 0.000 0.645 719 A CB -0.358 18.658 19.000 0.027 0.000 0.807 719 A HN 0.179 nan 8.150 nan 0.000 0.453 720 L N -0.532 120.692 121.223 0.002 0.000 2.446 720 L HA 0.030 4.370 4.340 -0.000 0.000 0.219 720 L C 2.287 179.155 176.870 -0.003 0.000 1.116 720 L CA 1.656 56.490 54.840 -0.010 0.000 0.844 720 L CB -0.121 41.863 42.059 -0.126 0.000 0.970 720 L HN 0.607 nan 8.230 nan 0.000 0.457 721 K N -1.574 118.809 120.400 -0.029 0.000 2.418 721 K HA -0.018 4.302 4.320 -0.000 0.000 0.195 721 K C 1.644 178.220 176.600 -0.039 0.000 1.035 721 K CA 1.206 57.462 56.287 -0.053 0.000 1.003 721 K CB -0.307 32.155 32.500 -0.064 0.000 0.793 721 K HN 0.283 nan 8.250 nan 0.000 0.494 722 T N -2.923 111.623 114.554 -0.012 0.000 2.951 722 T HA 0.123 4.473 4.350 -0.000 0.000 0.268 722 T C 1.634 176.298 174.700 -0.059 0.000 1.073 722 T CA 0.838 62.920 62.100 -0.029 0.000 1.134 722 T CB -0.237 68.624 68.868 -0.012 0.000 0.884 722 T HN 0.494 nan 8.240 nan 0.000 0.479 723 G N 0.974 109.769 108.800 -0.009 0.000 2.176 723 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.232 723 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.232 723 G C 0.144 174.942 174.900 -0.171 0.000 0.986 723 G CA -0.018 45.028 45.100 -0.090 0.000 0.643 723 G HN 0.744 nan 8.290 nan 0.000 0.522 724 R N 0.434 120.903 120.500 -0.053 0.000 2.288 724 R HA 0.614 4.954 4.340 -0.000 0.000 0.326 724 R C -1.096 175.239 176.300 0.058 0.000 0.959 724 R CA -0.669 55.381 56.100 -0.084 0.000 0.834 724 R CB 0.360 30.640 30.300 -0.032 0.000 1.157 724 R HN 0.619 nan 8.270 nan 0.000 0.470 725 Y N 0.439 120.812 120.300 0.122 0.000 2.479 725 Y HA 0.484 5.034 4.550 -0.000 0.000 0.338 725 Y C -0.587 175.421 175.900 0.180 0.000 1.055 725 Y CA -1.252 56.917 58.100 0.115 0.000 1.023 725 Y CB 0.949 39.451 38.460 0.069 0.000 1.287 725 Y HN 0.399 nan 8.280 nan 0.000 0.447 726 R N 1.970 122.644 120.500 0.290 0.000 2.438 726 R HA 0.170 4.510 4.340 -0.000 0.000 0.287 726 R C -0.309 176.192 176.300 0.336 0.000 1.077 726 R CA -0.338 55.914 56.100 0.253 0.000 1.034 726 R CB 0.415 30.820 30.300 0.174 0.000 0.993 726 R HN 0.901 nan 8.270 nan 0.000 0.459 727 N N 2.531 121.456 118.700 0.376 0.000 2.454 727 N HA -0.068 4.671 4.740 -0.000 0.000 0.285 727 N C -0.137 175.553 175.510 0.300 0.000 1.233 727 N CA 0.304 53.624 53.050 0.449 0.000 1.036 727 N CB 0.448 39.242 38.487 0.511 0.000 1.423 727 N HN 0.597 nan 8.380 nan 0.000 0.495 728 E N 1.558 121.906 120.200 0.247 0.000 2.516 728 E HA -0.049 4.300 4.350 -0.000 0.000 0.199 728 E C 0.963 177.649 176.600 0.144 0.000 1.069 728 E CA 0.227 56.730 56.400 0.171 0.000 0.876 728 E CB 0.166 29.948 29.700 0.137 0.000 0.843 728 E HN 0.726 nan 8.360 nan 0.000 0.530 729 A N 0.556 123.486 122.820 0.184 0.000 2.238 729 A HA 0.350 4.670 4.320 -0.000 0.000 0.210 729 A C 1.341 178.989 177.584 0.107 0.000 1.179 729 A CA 0.659 52.770 52.037 0.123 0.000 0.827 729 A CB -0.178 18.910 19.000 0.146 0.000 0.856 729 A HN 0.313 nan 8.150 nan 0.000 0.488 730 G N -0.172 108.720 108.800 0.154 0.000 2.574 730 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.286 730 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.286 730 G C 0.872 175.793 174.900 0.036 0.000 1.212 730 G CA 0.446 45.631 45.100 0.141 0.000 0.979 730 G HN 1.121 nan 8.290 nan 0.000 0.557 731 L N 1.598 122.677 121.223 -0.240 0.000 1.994 731 L HA -0.005 4.334 4.340 -0.000 0.000 0.208 731 L C 3.318 180.100 176.870 -0.148 0.000 1.071 731 L CA 3.668 58.229 54.840 -0.465 0.000 0.745 731 L CB -1.157 40.529 42.059 -0.622 0.000 0.892 731 L HN 1.324 nan 8.230 nan 0.000 0.431 732 S N -0.747 114.901 115.700 -0.087 0.000 2.387 732 S HA -0.164 4.306 4.470 -0.000 0.000 0.230 732 S C 2.129 176.790 174.600 0.102 0.000 1.035 732 S CA 1.053 59.262 58.200 0.015 0.000 1.014 732 S CB -1.897 61.337 63.200 0.057 0.000 0.836 732 S HN 0.571 nan 8.310 nan 0.000 0.466 733 G N 2.188 111.058 108.800 0.117 0.000 2.421 733 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.216 733 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.216 733 G C 1.451 176.568 174.900 0.363 0.000 1.171 733 G CA 1.043 46.309 45.100 0.277 0.000 0.775 733 G HN 0.531 nan 8.290 nan 0.000 0.543 734 L N 0.254 121.624 121.223 0.244 0.000 2.046 734 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 734 L C 2.984 179.943 176.870 0.149 0.000 1.077 734 L CA 0.391 55.341 54.840 0.183 0.000 0.747 734 L CB -0.656 41.469 42.059 0.111 0.000 0.896 734 L HN 0.071 nan 8.230 nan 0.000 0.432 735 V N 0.231 120.214 119.914 0.115 0.000 2.324 735 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 735 V C 2.349 178.536 176.094 0.154 0.000 1.060 735 V CA 1.885 64.249 62.300 0.106 0.000 1.042 735 V CB -0.415 31.453 31.823 0.076 0.000 0.650 735 V HN 0.370 nan 8.190 nan 0.000 0.450 736 L N -1.275 120.065 121.223 0.196 0.000 2.131 736 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 736 L C 2.362 179.341 176.870 0.182 0.000 1.087 736 L CA 0.967 55.906 54.840 0.166 0.000 0.767 736 L CB -0.467 41.669 42.059 0.128 0.000 0.917 736 L HN 0.277 nan 8.230 nan 0.000 0.441 737 L N 0.037 121.436 121.223 0.293 0.000 2.127 737 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 737 L C 2.811 179.814 176.870 0.221 0.000 1.089 737 L CA 1.263 56.311 54.840 0.345 0.000 0.757 737 L CB -0.527 41.757 42.059 0.375 0.000 0.899 737 L HN 0.265 nan 8.230 nan 0.000 0.434 738 A N -0.795 122.116 122.820 0.151 0.000 1.874 738 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 738 A C 2.326 179.968 177.584 0.096 0.000 1.189 738 A CA 1.914 54.010 52.037 0.099 0.000 0.615 738 A CB -0.824 18.219 19.000 0.071 0.000 0.830 738 A HN 0.365 nan 8.150 nan 0.000 0.443 739 T N 0.615 115.229 114.554 0.099 0.000 2.759 739 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 739 T C 2.141 176.890 174.700 0.082 0.000 1.042 739 T CA 1.622 63.770 62.100 0.080 0.000 1.140 739 T CB -0.402 68.513 68.868 0.078 0.000 0.864 739 T HN 0.565 nan 8.240 nan 0.000 0.455 740 A N 1.365 124.252 122.820 0.112 0.000 1.872 740 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 740 A C 2.282 179.956 177.584 0.150 0.000 1.187 740 A CA 1.174 53.301 52.037 0.151 0.000 0.614 740 A CB -0.433 18.728 19.000 0.267 0.000 0.826 740 A HN 0.315 nan 8.150 nan 0.000 0.442 741 R N 0.035 120.627 120.500 0.152 0.000 2.323 741 R HA 0.054 4.393 4.340 -0.000 0.000 0.198 741 R C 0.415 176.752 176.300 0.062 0.000 0.988 741 R CA 0.704 56.866 56.100 0.103 0.000 1.041 741 R CB -0.020 30.337 30.300 0.094 0.000 0.926 741 R HN 0.685 nan 8.270 nan 0.000 0.476 742 S N -1.352 114.386 115.700 0.062 0.000 2.715 742 S HA 0.464 4.934 4.470 -0.000 0.000 0.307 742 S C -0.340 174.286 174.600 0.044 0.000 1.119 742 S CA -1.079 57.147 58.200 0.044 0.000 0.937 742 S CB 1.711 64.933 63.200 0.037 0.000 1.150 742 S HN 0.037 nan 8.310 nan 0.000 0.521 743 R N 0.135 120.656 120.500 0.035 0.000 2.679 743 R HA 0.174 4.514 4.340 -0.000 0.000 0.268 743 R C 1.248 177.566 176.300 0.029 0.000 1.044 743 R CA -0.136 55.984 56.100 0.033 0.000 1.105 743 R CB 0.064 30.379 30.300 0.026 0.000 0.989 743 R HN 0.662 nan 8.270 nan 0.000 0.447 744 L N 2.220 123.459 121.223 0.027 0.000 2.046 744 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 744 L C 2.143 179.020 176.870 0.010 0.000 1.077 744 L CA 1.693 56.546 54.840 0.021 0.000 0.747 744 L CB -0.057 42.014 42.059 0.019 0.000 0.896 744 L HN 0.652 nan 8.230 nan 0.000 0.432 745 Q N -0.980 118.824 119.800 0.007 0.000 2.137 745 Q HA -0.137 4.203 4.340 -0.000 0.000 0.198 745 Q C 0.589 176.590 176.000 0.000 0.000 0.960 745 Q CA 0.891 56.692 55.803 -0.002 0.000 0.847 745 Q CB -0.044 28.692 28.738 -0.003 0.000 0.915 745 Q HN 0.528 nan 8.270 nan 0.000 0.448 746 D N 0.944 121.348 120.400 0.008 0.000 2.494 746 D HA 0.097 4.736 4.640 -0.000 0.000 0.249 746 D C 0.999 177.307 176.300 0.014 0.000 1.223 746 D CA 0.093 54.098 54.000 0.009 0.000 0.865 746 D CB 0.339 41.146 40.800 0.012 0.000 0.974 746 D HN 0.199 nan 8.370 nan 0.000 0.491 747 A N -0.042 122.786 122.820 0.013 0.000 1.898 747 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 747 A C 2.352 179.949 177.584 0.022 0.000 1.181 747 A CA 0.840 52.891 52.037 0.023 0.000 0.620 747 A CB -0.307 18.706 19.000 0.021 0.000 0.819 747 A HN 0.233 nan 8.150 nan 0.000 0.442 748 V N 0.030 119.951 119.914 0.010 0.000 2.453 748 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 748 V C 2.316 178.414 176.094 0.006 0.000 1.048 748 V CA 2.118 64.422 62.300 0.006 0.000 1.049 748 V CB -0.672 31.149 31.823 -0.003 0.000 0.672 748 V HN 0.500 nan 8.190 nan 0.000 0.457 749 K N 0.379 120.783 120.400 0.006 0.000 2.211 749 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 749 K C 2.261 178.868 176.600 0.012 0.000 1.050 749 K CA 1.269 57.560 56.287 0.006 0.000 0.945 749 K CB -0.293 32.210 32.500 0.005 0.000 0.732 749 K HN 0.485 nan 8.250 nan 0.000 0.451 750 A N 1.533 124.364 122.820 0.019 0.000 1.968 750 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 750 A C 2.001 179.602 177.584 0.029 0.000 1.169 750 A CA 1.272 53.326 52.037 0.028 0.000 0.638 750 A CB -0.197 18.827 19.000 0.040 0.000 0.812 750 A HN 0.150 nan 8.150 nan 0.000 0.446 751 K N -0.300 120.115 120.400 0.025 0.000 2.062 751 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 751 K C 2.202 178.802 176.600 0.001 0.000 1.051 751 K CA 0.965 57.260 56.287 0.014 0.000 0.941 751 K CB -0.283 32.220 32.500 0.006 0.000 0.719 751 K HN 0.342 nan 8.250 nan 0.000 0.440 752 A N 1.404 124.224 122.820 0.001 0.000 1.865 752 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 752 A C 1.977 179.563 177.584 0.004 0.000 1.191 752 A CA 1.978 54.014 52.037 -0.002 0.000 0.623 752 A CB -0.679 18.320 19.000 -0.002 0.000 0.826 752 A HN 0.392 nan 8.150 nan 0.000 0.444 753 E N -0.163 120.042 120.200 0.007 0.000 2.023 753 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 753 E C 2.234 178.843 176.600 0.014 0.000 1.003 753 E CA 1.736 58.141 56.400 0.008 0.000 0.809 753 E CB -0.597 29.108 29.700 0.008 0.000 0.755 753 E HN 0.499 nan 8.360 nan 0.000 0.449 754 A N 0.710 123.541 122.820 0.019 0.000 1.948 754 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 754 A C 2.058 179.663 177.584 0.034 0.000 1.177 754 A CA 1.998 54.051 52.037 0.027 0.000 0.636 754 A CB -0.627 18.393 19.000 0.033 0.000 0.815 754 A HN 0.328 nan 8.150 nan 0.000 0.449 755 E N -0.188 120.022 120.200 0.017 0.000 2.017 755 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 755 E C 2.082 178.715 176.600 0.055 0.000 0.997 755 E CA 1.560 57.974 56.400 0.022 0.000 0.804 755 E CB -0.219 29.479 29.700 -0.003 0.000 0.757 755 E HN 0.651 nan 8.360 nan 0.000 0.448 756 K N 0.698 121.117 120.400 0.032 0.000 2.074 756 K HA -0.209 4.110 4.320 -0.000 0.000 0.209 756 K C 2.278 178.901 176.600 0.037 0.000 1.048 756 K CA 1.061 57.364 56.287 0.028 0.000 0.926 756 K CB -0.311 32.197 32.500 0.013 0.000 0.713 756 K HN 0.054 nan 8.250 nan 0.000 0.444 757 L N 0.915 122.163 121.223 0.042 0.000 1.956 757 L HA -0.273 4.067 4.340 -0.000 0.000 0.216 757 L C 2.515 179.431 176.870 0.077 0.000 1.073 757 L CA 1.827 56.692 54.840 0.042 0.000 0.762 757 L CB -0.512 41.569 42.059 0.036 0.000 0.889 757 L HN 0.329 nan 8.230 nan 0.000 0.433 758 H N -0.190 118.878 119.070 -0.004 0.000 2.407 758 H HA -0.233 4.323 4.556 -0.000 0.000 0.293 758 H C 1.986 177.314 175.328 -0.000 0.000 1.122 758 H CA 2.022 58.072 56.048 0.003 0.000 1.232 758 H CB 0.240 30.005 29.762 0.006 0.000 1.361 758 H HN 0.379 nan 8.280 nan 0.000 0.498 759 K N 0.604 121.029 120.400 0.042 0.000 1.965 759 K HA -0.105 4.215 4.320 -0.000 0.000 0.218 759 K C 1.465 178.035 176.600 -0.051 0.000 1.048 759 K CA 0.881 57.155 56.287 -0.022 0.000 0.960 759 K CB -0.954 31.553 32.500 0.012 0.000 0.732 759 K HN 0.147 nan 8.250 nan 0.000 0.444 760 S N 1.433 117.118 115.700 -0.025 0.000 2.714 760 S HA 0.152 4.621 4.470 -0.000 0.000 0.318 760 S C 0.614 175.187 174.600 -0.044 0.000 1.219 760 S CA 0.800 58.982 58.200 -0.030 0.000 1.175 760 S CB 0.385 63.574 63.200 -0.019 0.000 0.961 760 S HN 0.413 nan 8.310 nan 0.000 0.518 761 K N 4.411 124.780 120.400 -0.052 0.000 2.537 761 K HA 0.844 5.164 4.320 -0.000 0.000 0.216 761 K C 0.194 176.772 176.600 -0.037 0.000 1.349 761 K CA 1.176 57.430 56.287 -0.055 0.000 0.841 761 K CB -1.943 30.509 32.500 -0.080 0.000 1.659 761 K HN 2.052 nan 8.250 nan 0.000 0.435 768 D N -3.139 117.318 120.400 0.096 0.000 2.983 768 D HA 0.089 4.729 4.640 -0.000 0.000 0.269 768 D C -0.896 175.486 176.300 0.137 0.000 1.121 768 D CA -0.060 53.988 54.000 0.079 0.000 0.724 768 D CB -0.089 40.733 40.800 0.036 0.000 1.381 768 D HN 0.108 nan 8.370 nan 0.000 0.442 769 W N 2.682 123.926 121.300 -0.093 0.000 2.952 769 W HA 0.214 4.874 4.660 -0.000 0.000 0.251 769 W C 1.708 178.205 176.519 -0.036 0.000 1.144 769 W CA 0.047 57.379 57.345 -0.020 0.000 1.551 769 W CB -0.205 29.310 29.460 0.091 0.000 0.978 769 W HN 0.380 nan 8.180 nan 0.000 0.648 770 F N 2.413 122.368 119.950 0.008 0.000 2.161 770 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 770 F C 2.355 178.043 175.800 -0.188 0.000 1.089 770 F CA 3.243 61.211 58.000 -0.055 0.000 1.282 770 F CB -0.821 38.142 39.000 -0.062 0.000 1.010 770 F HN 0.045 nan 8.300 nan 0.000 0.485 771 E N 0.327 120.523 120.200 -0.007 0.000 2.028 771 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 771 E C 2.154 178.631 176.600 -0.206 0.000 0.984 771 E CA 1.241 57.593 56.400 -0.080 0.000 0.800 771 E CB -0.882 28.816 29.700 -0.004 0.000 0.758 771 E HN 0.419 nan 8.360 nan 0.000 0.448 772 R N 0.679 121.051 120.500 -0.213 0.000 2.139 772 R HA -0.161 4.179 4.340 -0.000 0.000 0.243 772 R C 2.785 178.850 176.300 -0.392 0.000 1.145 772 R CA 1.910 57.864 56.100 -0.243 0.000 0.976 772 R CB -0.401 29.785 30.300 -0.189 0.000 0.866 772 R HN 0.555 nan 8.270 nan 0.000 0.449 773 S N 0.364 115.660 115.700 -0.674 0.000 2.354 773 S HA -0.239 4.231 4.470 -0.000 0.000 0.219 773 S C 1.760 176.088 174.600 -0.455 0.000 1.035 773 S CA 1.637 59.368 58.200 -0.783 0.000 1.037 773 S CB -0.413 62.067 63.200 -1.200 0.000 0.956 773 S HN 0.441 nan 8.310 nan 0.000 0.428 774 E N 0.906 120.846 120.200 -0.433 0.000 2.130 774 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 774 E C 2.392 178.874 176.600 -0.197 0.000 0.998 774 E CA 1.887 58.112 56.400 -0.291 0.000 0.806 774 E CB -0.661 28.875 29.700 -0.274 0.000 0.738 774 E HN 0.846 nan 8.360 nan 0.000 0.459 775 T N 1.466 115.906 114.554 -0.189 0.000 2.580 775 T HA -0.261 4.089 4.350 -0.000 0.000 0.265 775 T C 1.958 176.594 174.700 -0.107 0.000 1.063 775 T CA 1.472 63.496 62.100 -0.126 0.000 1.170 775 T CB -0.670 68.130 68.868 -0.113 0.000 0.863 775 T HN 0.156 nan 8.240 nan 0.000 0.418 776 L N 0.728 121.878 121.223 -0.122 0.000 2.012 776 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 776 L C 2.720 179.545 176.870 -0.075 0.000 1.073 776 L CA 1.843 56.634 54.840 -0.082 0.000 0.748 776 L CB -0.708 41.304 42.059 -0.079 0.000 0.891 776 L HN 0.230 nan 8.230 nan 0.000 0.431 777 S N -0.209 115.428 115.700 -0.105 0.000 2.378 777 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 777 S C 1.630 176.192 174.600 -0.063 0.000 1.052 777 S CA 1.868 60.017 58.200 -0.085 0.000 1.084 777 S CB -0.526 62.603 63.200 -0.119 0.000 0.950 777 S HN 0.605 nan 8.310 nan 0.000 0.440 778 D N 0.810 121.168 120.400 -0.070 0.000 2.133 778 D HA -0.085 4.555 4.640 -0.000 0.000 0.195 778 D C 1.769 178.047 176.300 -0.037 0.000 0.997 778 D CA 0.873 54.842 54.000 -0.052 0.000 0.840 778 D CB -0.358 40.410 40.800 -0.054 0.000 0.947 778 D HN 0.358 nan 8.370 nan 0.000 0.452 779 L N 0.137 121.338 121.223 -0.036 0.000 2.465 779 L HA -0.050 4.289 4.340 -0.000 0.000 0.224 779 L C 2.168 179.029 176.870 -0.016 0.000 1.145 779 L CA 0.126 54.953 54.840 -0.023 0.000 0.834 779 L CB 0.029 42.076 42.059 -0.020 0.000 0.944 779 L HN 0.038 nan 8.230 nan 0.000 0.451 780 L N -0.665 120.547 121.223 -0.018 0.000 2.202 780 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 780 L C 3.038 179.902 176.870 -0.009 0.000 1.083 780 L CA 1.021 55.856 54.840 -0.009 0.000 0.790 780 L CB -0.618 41.437 42.059 -0.006 0.000 0.942 780 L HN 0.258 nan 8.230 nan 0.000 0.452 781 E N 0.788 120.978 120.200 -0.016 0.000 2.152 781 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 781 E C 2.131 178.724 176.600 -0.012 0.000 0.983 781 E CA 1.251 57.642 56.400 -0.014 0.000 0.818 781 E CB -0.346 29.342 29.700 -0.020 0.000 0.758 781 E HN 0.411 nan 8.360 nan 0.000 0.467 782 K N -0.427 119.964 120.400 -0.014 0.000 2.148 782 K HA 0.090 4.410 4.320 -0.000 0.000 0.204 782 K C 2.067 178.663 176.600 -0.008 0.000 1.050 782 K CA 1.008 57.288 56.287 -0.012 0.000 0.942 782 K CB -0.154 32.338 32.500 -0.014 0.000 0.724 782 K HN 0.325 nan 8.250 nan 0.000 0.446 783 A N 0.595 123.411 122.820 -0.006 0.000 2.308 783 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 783 A C 0.461 178.044 177.584 -0.001 0.000 1.216 783 A CA 1.012 53.047 52.037 -0.003 0.000 0.864 783 A CB -0.518 18.480 19.000 -0.002 0.000 0.902 783 A HN 0.561 nan 8.150 nan 0.000 0.499 784 D N -0.382 120.017 120.400 -0.002 0.000 2.751 784 D HA -0.217 4.423 4.640 -0.000 0.000 0.233 784 D C 0.596 176.899 176.300 0.004 0.000 1.149 784 D CA 1.506 55.507 54.000 0.001 0.000 0.682 784 D CB -2.522 38.278 40.800 0.001 0.000 1.068 784 D HN 1.320 nan 8.370 nan 0.000 0.429 785 I N -5.121 115.453 120.570 0.006 0.000 4.139 785 I HA 0.625 4.795 4.170 -0.000 0.000 0.335 785 I C 1.527 177.653 176.117 0.015 0.000 1.327 785 I CA 0.391 61.697 61.300 0.010 0.000 1.112 785 I CB 0.461 38.467 38.000 0.010 0.000 1.058 785 I HN 0.641 nan 8.210 nan 0.000 0.396 786 A N 2.418 125.245 122.820 0.012 0.000 2.511 786 A HA 0.369 4.689 4.320 -0.000 0.000 0.242 786 A C 0.822 178.418 177.584 0.020 0.000 1.069 786 A CA 0.413 52.458 52.037 0.014 0.000 0.763 786 A CB -0.116 18.886 19.000 0.003 0.000 1.001 786 A HN 0.608 nan 8.150 nan 0.000 0.498 787 S N 2.890 118.607 115.700 0.027 0.000 2.549 787 S HA 0.300 4.770 4.470 -0.000 0.000 0.279 787 S C -0.067 174.552 174.600 0.031 0.000 1.321 787 S CA -0.537 57.686 58.200 0.038 0.000 1.054 787 S CB 0.457 63.685 63.200 0.047 0.000 0.899 787 S HN 0.607 nan 8.310 nan 0.000 0.497 788 K N 1.826 122.260 120.400 0.057 0.000 2.436 788 K HA 0.198 4.518 4.320 -0.000 0.000 0.275 788 K C 0.254 176.829 176.600 -0.042 0.000 0.999 788 K CA -0.466 55.849 56.287 0.046 0.000 0.980 788 K CB 0.363 32.940 32.500 0.128 0.000 0.919 788 K HN 0.656 nan 8.250 nan 0.000 0.484 789 V N 0.415 120.264 119.914 -0.107 0.000 2.788 789 V HA 0.093 4.212 4.120 -0.000 0.000 0.307 789 V C 1.116 176.957 176.094 -0.422 0.000 1.069 789 V CA 0.303 62.493 62.300 -0.183 0.000 1.173 789 V CB 0.164 31.913 31.823 -0.122 0.000 0.925 789 V HN 1.032 nan 8.190 nan 0.000 0.492 790 A N 2.329 124.959 122.820 -0.316 0.000 3.396 790 A HA -0.235 4.084 4.320 -0.000 0.000 0.267 790 A C 0.444 177.808 177.584 -0.365 0.000 1.139 790 A CA 1.699 53.533 52.037 -0.339 0.000 1.115 790 A CB -2.839 15.968 19.000 -0.322 0.000 1.133 790 A HN 1.828 nan 8.150 nan 0.000 0.920 791 H N 0.471 119.542 119.070 0.002 0.000 2.379 791 H HA 0.533 5.089 4.556 -0.000 0.000 0.229 791 H C 0.533 175.867 175.328 0.010 0.000 1.423 791 H CA 0.103 56.154 56.048 0.004 0.000 1.375 791 H CB 0.074 29.838 29.762 0.003 0.000 1.592 791 H HN 0.574 nan 8.280 nan 0.000 0.507 792 S N 0.083 115.819 115.700 0.060 0.000 2.589 792 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 792 S C 1.891 176.529 174.600 0.065 0.000 1.342 792 S CA -0.296 57.936 58.200 0.054 0.000 1.005 792 S CB 1.302 64.526 63.200 0.041 0.000 0.909 792 S HN 0.592 nan 8.310 nan 0.000 0.555 793 A N 0.908 123.763 122.820 0.058 0.000 1.986 793 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 793 A C 2.062 179.672 177.584 0.043 0.000 1.171 793 A CA 1.466 53.532 52.037 0.049 0.000 0.640 793 A CB -0.975 18.052 19.000 0.045 0.000 0.811 793 A HN 0.856 nan 8.150 nan 0.000 0.451 794 L N -0.419 120.830 121.223 0.043 0.000 2.046 794 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 794 L C 2.420 179.308 176.870 0.030 0.000 1.077 794 L CA 1.421 56.280 54.840 0.031 0.000 0.747 794 L CB -0.203 41.877 42.059 0.035 0.000 0.896 794 L HN 0.303 nan 8.230 nan 0.000 0.432 795 V N -0.698 119.241 119.914 0.041 0.000 2.548 795 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 795 V C 2.423 178.546 176.094 0.048 0.000 1.055 795 V CA 1.255 63.582 62.300 0.046 0.000 1.065 795 V CB -0.458 31.405 31.823 0.067 0.000 0.681 795 V HN 0.414 nan 8.190 nan 0.000 0.462 796 E N 0.046 120.277 120.200 0.052 0.000 2.072 796 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 796 E C 2.402 179.024 176.600 0.036 0.000 0.985 796 E CA 1.781 58.206 56.400 0.041 0.000 0.801 796 E CB -0.526 29.199 29.700 0.042 0.000 0.750 796 E HN 0.550 nan 8.360 nan 0.000 0.452 797 T N -0.129 114.449 114.554 0.039 0.000 3.035 797 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 797 T C 2.023 176.752 174.700 0.048 0.000 1.109 797 T CA 1.289 63.417 62.100 0.046 0.000 1.119 797 T CB 0.002 68.896 68.868 0.044 0.000 0.900 797 T HN -0.013 nan 8.240 nan 0.000 0.503 798 S N 0.179 115.900 115.700 0.036 0.000 2.362 798 S HA -0.058 4.411 4.470 -0.000 0.000 0.221 798 S C 1.812 176.432 174.600 0.033 0.000 1.032 798 S CA 1.020 59.239 58.200 0.032 0.000 0.973 798 S CB -0.404 62.806 63.200 0.017 0.000 0.849 798 S HN 0.553 nan 8.310 nan 0.000 0.465 799 D N 1.200 121.616 120.400 0.027 0.000 2.144 799 D HA -0.056 4.583 4.640 -0.000 0.000 0.199 799 D C 1.997 178.313 176.300 0.026 0.000 0.984 799 D CA 1.190 55.201 54.000 0.019 0.000 0.834 799 D CB -0.170 40.636 40.800 0.011 0.000 0.955 799 D HN 0.472 nan 8.370 nan 0.000 0.465 800 A N 0.605 123.448 122.820 0.038 0.000 2.121 800 A HA -0.070 4.249 4.320 -0.000 0.000 0.218 800 A C 2.199 179.828 177.584 0.076 0.000 1.154 800 A CA 0.557 52.623 52.037 0.049 0.000 0.679 800 A CB -0.450 18.584 19.000 0.056 0.000 0.795 800 A HN 0.197 nan 8.150 nan 0.000 0.458 801 L N -0.358 120.917 121.223 0.088 0.000 2.492 801 L HA 0.010 4.350 4.340 -0.000 0.000 0.223 801 L C 0.661 177.601 176.870 0.116 0.000 1.132 801 L CA 0.616 55.538 54.840 0.137 0.000 0.850 801 L CB -0.040 42.104 42.059 0.141 0.000 0.966 801 L HN 0.609 nan 8.230 nan 0.000 0.454 802 E N -0.941 119.285 120.200 0.044 0.000 3.786 802 E HA 0.336 4.686 4.350 -0.000 0.000 0.215 802 E C 0.722 177.297 176.600 -0.041 0.000 1.188 802 E CA 0.016 56.406 56.400 -0.016 0.000 1.248 802 E CB 0.874 30.570 29.700 -0.007 0.000 1.260 802 E HN 0.092 nan 8.360 nan 0.000 0.426 803 A N 2.123 124.913 122.820 -0.050 0.000 1.898 803 A HA 0.167 4.487 4.320 -0.000 0.000 0.216 803 A C 1.843 179.388 177.584 -0.066 0.000 1.181 803 A CA 1.825 53.836 52.037 -0.045 0.000 0.620 803 A CB -0.833 18.149 19.000 -0.030 0.000 0.819 803 A HN 1.125 nan 8.150 nan 0.000 0.442 804 V N -2.957 116.889 119.914 -0.114 0.000 0.691 804 V HA 0.015 4.135 4.120 -0.000 0.000 0.092 804 V C 1.249 177.302 176.094 -0.068 0.000 0.770 804 V CA 3.403 65.644 62.300 -0.098 0.000 3.097 804 V CB -2.080 nan 31.823 nan 0.000 0.182 804 V HN 2.225 nan 8.190 nan 0.000 0.067 805 Q N 0.000 119.777 119.800 -0.039 0.000 2.315 805 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 805 Q CA 0.000 55.788 55.803 -0.026 0.000 1.022 805 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 805 Q HN 0.000 nan 8.270 nan 0.000 0.481