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 2pus_1_A DATA FIRST_RESID 27 DATA SEQUENCE DVEELLIPKV WVPPEDPLAS PSRLAKFLRE NGYKVLQPRS LPENEEYETD DATA SEQUENCE QILPDLAWMR QIXXXXXKPT LSLPIGDQEY FPKYYPTHRP SKEKPNAYPP DATA SEQUENCE DIALLKQMIY LFLQVPEANE GLKDEVTLLT QNIRDKAYGS GTYMGQANRL DATA SEQUENCE VAMKEVATGR NPNKDPLKLG YTFESIAQLL DITLPVGPPG EXXXXWVPLT DATA SEQUENCE RVPSRMLVLT GDVDGDFEVE 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 TSDALEAV 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 0.000 176.306 176.300 0.009 0.000 2.045 27 D CA 0.000 54.005 54.000 0.008 0.000 0.868 27 D CB 0.000 40.805 40.800 0.008 0.000 0.688 28 V N -0.233 119.687 119.914 0.010 0.000 2.555 28 V HA 0.796 4.916 4.120 -0.000 0.000 0.302 28 V C 0.341 176.442 176.094 0.012 0.000 1.038 28 V CA -0.818 61.489 62.300 0.012 0.000 0.887 28 V CB 1.752 33.582 31.823 0.012 0.000 0.991 28 V HN 0.748 nan 8.190 nan 0.000 0.434 29 E N 3.563 123.771 120.200 0.014 0.000 2.324 29 E HA 0.347 4.697 4.350 -0.000 0.000 0.271 29 E C -0.968 175.641 176.600 0.015 0.000 1.028 29 E CA -0.097 56.312 56.400 0.014 0.000 0.890 29 E CB 0.662 30.372 29.700 0.016 0.000 1.004 29 E HN 0.705 nan 8.360 nan 0.000 0.431 30 E N 4.227 124.436 120.200 0.014 0.000 2.210 30 E HA 0.398 4.748 4.350 -0.000 0.000 0.266 30 E C -0.655 175.954 176.600 0.014 0.000 0.883 30 E CA -0.703 55.705 56.400 0.013 0.000 0.761 30 E CB 1.684 31.390 29.700 0.010 0.000 1.156 30 E HN 0.479 nan 8.360 nan 0.000 0.412 31 L N 2.633 123.866 121.223 0.015 0.000 2.341 31 L HA 0.353 4.693 4.340 -0.000 0.000 0.267 31 L C 1.286 178.164 176.870 0.014 0.000 1.009 31 L CA -0.741 54.109 54.840 0.017 0.000 0.819 31 L CB 1.585 43.656 42.059 0.020 0.000 1.323 31 L HN 0.385 nan 8.230 nan 0.000 0.425 32 L N 2.169 123.401 121.223 0.016 0.000 2.005 32 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 32 L C 0.555 177.433 176.870 0.013 0.000 1.072 32 L CA 1.716 56.565 54.840 0.014 0.000 0.744 32 L CB 0.220 42.291 42.059 0.020 0.000 0.895 32 L HN 0.337 nan 8.230 nan 0.000 0.433 33 I N 1.353 121.932 120.570 0.016 0.000 2.312 33 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 33 I C -2.033 174.097 176.117 0.021 0.000 1.008 33 I CA -2.380 58.929 61.300 0.015 0.000 1.226 33 I CB 0.115 38.125 38.000 0.016 0.000 1.371 33 I HN 0.067 nan 8.210 nan 0.000 0.468 34 P HA 0.017 nan 4.420 nan 0.000 0.265 34 P C -0.001 177.329 177.300 0.051 0.000 1.187 34 P CA -0.119 63.003 63.100 0.037 0.000 0.766 34 P CB 0.674 32.398 31.700 0.039 0.000 0.820 35 K N 2.316 122.753 120.400 0.061 0.000 2.355 35 K HA 0.126 4.446 4.320 -0.000 0.000 0.270 35 K C -0.539 176.123 176.600 0.103 0.000 1.003 35 K CA -0.535 55.793 56.287 0.068 0.000 0.957 35 K CB 0.332 32.869 32.500 0.062 0.000 0.939 35 K HN 0.116 nan 8.250 nan 0.000 0.482 36 V N 4.802 124.769 119.914 0.090 0.000 2.509 36 V HA -0.132 3.988 4.120 -0.000 0.000 0.297 36 V C -0.056 176.128 176.094 0.150 0.000 1.014 36 V CA 0.169 62.538 62.300 0.114 0.000 1.127 36 V CB -0.492 31.370 31.823 0.065 0.000 0.925 36 V HN 0.728 nan 8.190 nan 0.000 0.480 37 W N 6.345 127.639 121.300 -0.009 0.000 2.311 37 W HA 0.474 5.134 4.660 -0.000 0.000 0.310 37 W C -0.330 176.142 176.519 -0.079 0.000 1.274 37 W CA -0.590 56.727 57.345 -0.048 0.000 1.215 37 W CB 0.809 30.229 29.460 -0.066 0.000 1.227 37 W HN 0.377 nan 8.180 nan 0.000 0.523 38 V N 10.194 129.761 119.914 -0.578 0.000 2.364 38 V HA 0.217 4.337 4.120 -0.000 0.000 0.272 38 V C -1.658 173.659 176.094 -1.295 0.000 1.036 38 V CA -1.889 60.002 62.300 -0.681 0.000 0.880 38 V CB 0.620 32.225 31.823 -0.362 0.000 0.991 38 V HN 0.467 nan 8.190 nan 0.000 0.460 39 P HA 0.224 nan 4.420 nan 0.000 0.269 39 P C -2.603 174.302 177.300 -0.660 0.000 1.215 39 P CA -1.045 61.141 63.100 -1.524 0.000 0.780 39 P CB -0.139 30.974 31.700 -0.978 0.000 0.898 40 P HA 0.146 nan 4.420 nan 0.000 0.274 40 P C -0.317 176.959 177.300 -0.040 0.000 1.231 40 P CA -0.173 62.858 63.100 -0.113 0.000 0.790 40 P CB 0.430 32.149 31.700 0.032 0.000 0.951 41 E N 0.765 120.941 120.200 -0.039 0.000 2.413 41 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 41 E C -0.051 176.548 176.600 -0.002 0.000 1.015 41 E CA 0.136 56.524 56.400 -0.020 0.000 0.916 41 E CB 0.255 29.940 29.700 -0.026 0.000 0.947 41 E HN 0.392 nan 8.360 nan 0.000 0.440 42 D N 3.789 124.185 120.400 -0.007 0.000 2.339 42 D HA 0.046 4.686 4.640 -0.000 0.000 0.256 42 D C -1.730 174.550 176.300 -0.033 0.000 1.214 42 D CA -1.784 52.196 54.000 -0.034 0.000 0.877 42 D CB 0.957 41.732 40.800 -0.042 0.000 1.111 42 D HN 0.143 nan 8.370 nan 0.000 0.478 43 P HA 0.142 nan 4.420 nan 0.000 0.257 43 P C 0.486 177.736 177.300 -0.083 0.000 1.281 43 P CA 0.198 63.263 63.100 -0.058 0.000 0.826 43 P CB 0.402 32.067 31.700 -0.059 0.000 1.237 44 L N -0.597 120.566 121.223 -0.099 0.000 3.288 44 L HA 0.410 4.750 4.340 -0.000 0.000 0.293 44 L C 0.890 177.683 176.870 -0.128 0.000 1.294 44 L CA -0.213 54.549 54.840 -0.130 0.000 1.006 44 L CB 0.325 42.255 42.059 -0.215 0.000 1.407 44 L HN -0.138 nan 8.230 nan 0.000 0.592 45 A N -0.524 122.260 122.820 -0.060 0.000 2.412 45 A HA 0.294 4.614 4.320 -0.000 0.000 0.253 45 A C 0.623 178.132 177.584 -0.126 0.000 1.334 45 A CA 0.287 52.303 52.037 -0.036 0.000 0.929 45 A CB -0.010 19.060 19.000 0.116 0.000 0.983 45 A HN 0.261 nan 8.150 nan 0.000 0.508 46 S N -0.511 115.092 115.700 -0.162 0.000 2.548 46 S HA 0.545 5.015 4.470 -0.000 0.000 0.276 46 S C -2.272 172.261 174.600 -0.112 0.000 1.129 46 S CA -1.201 56.941 58.200 -0.096 0.000 0.931 46 S CB 1.625 64.794 63.200 -0.051 0.000 1.068 46 S HN 0.058 nan 8.310 nan 0.000 0.480 47 P HA -0.105 nan 4.420 nan 0.000 0.219 47 P C 1.479 178.756 177.300 -0.038 0.000 1.146 47 P CA 1.341 64.406 63.100 -0.059 0.000 0.808 47 P CB -0.176 31.524 31.700 -0.001 0.000 0.779 48 S N 0.196 115.881 115.700 -0.025 0.000 2.368 48 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 48 S C 2.130 176.725 174.600 -0.008 0.000 1.029 48 S CA 0.654 58.846 58.200 -0.014 0.000 0.988 48 S CB -0.922 62.271 63.200 -0.012 0.000 0.838 48 S HN 0.098 nan 8.310 nan 0.000 0.462 49 R N 0.242 120.730 120.500 -0.020 0.000 2.090 49 R HA 0.164 4.504 4.340 -0.000 0.000 0.228 49 R C 2.390 178.697 176.300 0.012 0.000 1.110 49 R CA 1.068 57.164 56.100 -0.007 0.000 0.973 49 R CB -0.616 29.664 30.300 -0.033 0.000 0.869 49 R HN 0.390 nan 8.270 nan 0.000 0.440 50 L N 0.943 122.147 121.223 -0.031 0.000 2.017 50 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 50 L C 2.256 179.163 176.870 0.061 0.000 1.073 50 L CA 1.975 56.807 54.840 -0.014 0.000 0.745 50 L CB -0.689 41.306 42.059 -0.106 0.000 0.894 50 L HN 0.104 nan 8.230 nan 0.000 0.432 51 A N -0.574 122.262 122.820 0.028 0.000 1.933 51 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 51 A C 2.461 180.078 177.584 0.055 0.000 1.175 51 A CA 2.008 54.068 52.037 0.039 0.000 0.628 51 A CB -0.668 18.341 19.000 0.014 0.000 0.814 51 A HN 0.534 nan 8.150 nan 0.000 0.444 52 K N -1.492 118.943 120.400 0.059 0.000 2.026 52 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 52 K C 1.823 178.473 176.600 0.084 0.000 1.048 52 K CA 1.762 58.084 56.287 0.059 0.000 0.929 52 K CB -0.345 32.188 32.500 0.055 0.000 0.713 52 K HN 0.415 nan 8.250 nan 0.000 0.439 53 F N 1.574 121.511 119.950 -0.023 0.000 2.134 53 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 53 F C 1.665 177.457 175.800 -0.014 0.000 1.097 53 F CA 1.261 59.246 58.000 -0.025 0.000 1.264 53 F CB -0.069 38.905 39.000 -0.044 0.000 1.001 53 F HN -0.031 nan 8.300 nan 0.000 0.479 54 L N -0.105 121.140 121.223 0.037 0.000 2.056 54 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 54 L C 2.668 179.540 176.870 0.003 0.000 1.078 54 L CA 1.602 56.435 54.840 -0.011 0.000 0.749 54 L CB -0.705 41.402 42.059 0.080 0.000 0.901 54 L HN 0.073 nan 8.230 nan 0.000 0.433 55 R N 0.548 121.056 120.500 0.012 0.000 2.081 55 R HA -0.237 4.103 4.340 -0.000 0.000 0.235 55 R C 2.218 178.494 176.300 -0.040 0.000 1.131 55 R CA 1.693 57.798 56.100 0.008 0.000 0.960 55 R CB -0.073 30.235 30.300 0.014 0.000 0.856 55 R HN 0.236 nan 8.270 nan 0.000 0.436 56 E N 0.355 120.502 120.200 -0.089 0.000 2.153 56 E HA -0.159 4.190 4.350 -0.000 0.000 0.194 56 E C 0.908 177.411 176.600 -0.162 0.000 0.988 56 E CA 1.528 57.856 56.400 -0.119 0.000 0.811 56 E CB -0.013 29.607 29.700 -0.133 0.000 0.746 56 E HN 0.365 nan 8.360 nan 0.000 0.466 57 N N -0.605 117.954 118.700 -0.235 0.000 2.336 57 N HA 0.055 4.795 4.740 -0.000 0.000 0.189 57 N C 0.501 175.959 175.510 -0.086 0.000 1.113 57 N CA 0.780 53.703 53.050 -0.211 0.000 0.858 57 N CB 0.921 39.192 38.487 -0.360 0.000 0.970 57 N HN 0.314 nan 8.380 nan 0.000 0.471 58 G N 1.167 109.942 108.800 -0.041 0.000 2.160 58 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.251 58 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.251 58 G C -0.217 174.710 174.900 0.046 0.000 1.008 58 G CA 0.028 45.125 45.100 -0.005 0.000 0.724 58 G HN 0.512 nan 8.290 nan 0.000 0.514 59 Y N 0.514 120.798 120.300 -0.027 0.000 2.359 59 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 59 Y C 0.877 176.855 175.900 0.130 0.000 1.058 59 Y CA -0.480 57.664 58.100 0.074 0.000 1.244 59 Y CB 0.697 39.191 38.460 0.056 0.000 1.187 59 Y HN 0.148 nan 8.280 nan 0.000 0.510 60 K N 4.370 124.842 120.400 0.119 0.000 2.412 60 K HA 0.264 4.584 4.320 -0.000 0.000 0.284 60 K C -1.565 175.149 176.600 0.190 0.000 1.046 60 K CA -0.067 56.282 56.287 0.103 0.000 0.999 60 K CB 0.135 32.625 32.500 -0.017 0.000 0.941 60 K HN 0.473 nan 8.250 nan 0.000 0.474 61 V N 6.822 126.823 119.914 0.146 0.000 2.370 61 V HA 0.259 4.379 4.120 -0.000 0.000 0.279 61 V C -0.083 176.044 176.094 0.055 0.000 1.029 61 V CA -0.950 61.421 62.300 0.119 0.000 0.870 61 V CB 0.935 32.812 31.823 0.091 0.000 0.984 61 V HN 0.633 nan 8.190 nan 0.000 0.451 62 L N 3.576 124.826 121.223 0.045 0.000 2.436 62 L HA 0.316 4.656 4.340 -0.000 0.000 0.265 62 L C 0.516 177.372 176.870 -0.023 0.000 1.168 62 L CA 0.257 55.101 54.840 0.006 0.000 0.815 62 L CB 0.501 42.563 42.059 0.006 0.000 1.109 62 L HN 0.724 nan 8.230 nan 0.000 0.462 63 Q N 4.929 124.705 119.800 -0.041 0.000 2.271 63 Q HA 0.144 4.484 4.340 -0.000 0.000 0.273 63 Q C -2.250 173.695 176.000 -0.092 0.000 1.051 63 Q CA -1.009 54.757 55.803 -0.060 0.000 0.901 63 Q CB 0.517 29.224 28.738 -0.052 0.000 1.174 63 Q HN 0.232 nan 8.270 nan 0.000 0.385 64 P HA 0.032 nan 4.420 nan 0.000 0.267 64 P C -1.118 176.173 177.300 -0.014 0.000 1.209 64 P CA 0.133 63.186 63.100 -0.078 0.000 0.763 64 P CB 0.659 32.231 31.700 -0.212 0.000 0.816 65 R N 1.540 121.844 120.500 -0.328 0.000 2.428 65 R HA 0.488 4.828 4.340 -0.000 0.000 0.294 65 R C 0.765 176.776 176.300 -0.482 0.000 1.000 65 R CA -0.455 55.245 56.100 -0.668 0.000 0.960 65 R CB 0.842 30.127 30.300 -1.692 0.000 1.076 65 R HN 0.502 nan 8.270 nan 0.000 0.475 66 S N 1.562 117.006 115.700 -0.427 0.000 2.713 66 S HA 0.699 5.169 4.470 -0.000 0.000 0.283 66 S C -0.731 173.825 174.600 -0.074 0.000 1.161 66 S CA -0.793 57.086 58.200 -0.536 0.000 0.999 66 S CB 1.085 63.718 63.200 -0.946 0.000 1.039 66 S HN 0.302 nan 8.310 nan 0.000 0.548 67 L N 1.376 122.405 121.223 -0.325 0.000 2.436 67 L HA 0.602 4.942 4.340 -0.000 0.000 0.268 67 L C -2.718 173.950 176.870 -0.336 0.000 0.974 67 L CA -2.082 52.557 54.840 -0.336 0.000 0.826 67 L CB 2.161 43.815 42.059 -0.675 0.000 1.291 67 L HN 0.512 nan 8.230 nan 0.000 0.406 68 P HA 0.089 nan 4.420 nan 0.000 0.268 68 P C -0.722 176.650 177.300 0.120 0.000 1.204 68 P CA -0.112 62.976 63.100 -0.020 0.000 0.768 68 P CB 0.491 32.170 31.700 -0.035 0.000 0.842 69 E N 2.120 122.447 120.200 0.213 0.000 2.413 69 E HA 0.033 4.383 4.350 -0.000 0.000 0.263 69 E C 0.258 176.918 176.600 0.099 0.000 1.015 69 E CA -0.075 56.443 56.400 0.195 0.000 0.916 69 E CB 0.196 29.939 29.700 0.071 0.000 0.947 69 E HN 0.382 nan 8.360 nan 0.000 0.440 70 N N 3.133 121.868 118.700 0.058 0.000 2.483 70 N HA 0.022 4.762 4.740 -0.000 0.000 0.264 70 N C -0.483 175.069 175.510 0.070 0.000 1.197 70 N CA 0.517 53.616 53.050 0.081 0.000 0.927 70 N CB 0.830 39.385 38.487 0.114 0.000 1.065 70 N HN 0.479 nan 8.380 nan 0.000 0.461 71 E N 0.960 121.227 120.200 0.113 0.000 2.293 71 E HA 0.159 4.509 4.350 -0.000 0.000 0.270 71 E C -1.035 175.575 176.600 0.017 0.000 0.879 71 E CA -0.668 55.752 56.400 0.034 0.000 0.756 71 E CB 1.456 31.169 29.700 0.021 0.000 1.208 71 E HN 0.286 nan 8.360 nan 0.000 0.428 72 E N 2.277 122.404 120.200 -0.122 0.000 2.344 72 E HA 0.154 4.504 4.350 -0.000 0.000 0.270 72 E C -1.113 175.304 176.600 -0.306 0.000 1.021 72 E CA 0.445 56.777 56.400 -0.113 0.000 0.887 72 E CB 0.493 30.132 29.700 -0.101 0.000 0.997 72 E HN 0.344 nan 8.360 nan 0.000 0.429 73 Y N 0.032 120.336 120.300 0.007 0.000 2.492 73 Y HA 0.125 4.675 4.550 -0.000 0.000 0.346 73 Y C 0.585 176.484 175.900 -0.001 0.000 0.997 73 Y CA -0.879 57.225 58.100 0.006 0.000 1.025 73 Y CB 1.512 39.981 38.460 0.014 0.000 1.263 73 Y HN 0.409 nan 8.280 nan 0.000 0.454 74 E N 0.995 121.290 120.200 0.157 0.000 2.493 74 E HA -0.018 4.332 4.350 -0.000 0.000 0.255 74 E C 0.247 176.891 176.600 0.073 0.000 0.999 74 E CA 0.352 56.802 56.400 0.082 0.000 0.934 74 E CB 0.823 30.561 29.700 0.063 0.000 0.940 74 E HN 0.839 nan 8.360 nan 0.000 0.473 75 T N 3.390 117.965 114.554 0.035 0.000 2.788 75 T HA -0.190 4.159 4.350 -0.000 0.000 0.268 75 T C 1.205 175.905 174.700 -0.001 0.000 1.044 75 T CA 1.457 63.563 62.100 0.011 0.000 1.139 75 T CB -0.130 68.727 68.868 -0.020 0.000 0.867 75 T HN 0.535 nan 8.240 nan 0.000 0.454 76 D N 0.728 121.129 120.400 0.001 0.000 2.310 76 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 76 D C 2.195 178.502 176.300 0.012 0.000 0.965 76 D CA 0.801 54.800 54.000 -0.001 0.000 0.879 76 D CB 0.008 40.809 40.800 0.001 0.000 0.921 76 D HN 0.434 nan 8.370 nan 0.000 0.510 77 Q N -0.982 118.833 119.800 0.025 0.000 2.302 77 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 77 Q C 1.842 177.850 176.000 0.013 0.000 0.936 77 Q CA 0.540 56.360 55.803 0.028 0.000 0.886 77 Q CB 0.520 29.289 28.738 0.051 0.000 0.986 77 Q HN 0.411 nan 8.270 nan 0.000 0.487 78 I N -0.567 120.009 120.570 0.011 0.000 2.810 78 I HA -0.033 4.137 4.170 -0.000 0.000 0.262 78 I C 0.603 176.720 176.117 -0.000 0.000 1.131 78 I CA 0.655 61.953 61.300 -0.003 0.000 1.453 78 I CB 0.516 38.516 38.000 -0.001 0.000 1.161 78 I HN -0.036 nan 8.210 nan 0.000 0.444 79 L N 2.695 123.915 121.223 -0.005 0.000 2.556 79 L HA 0.316 4.656 4.340 -0.000 0.000 0.243 79 L C -1.779 175.079 176.870 -0.020 0.000 1.331 79 L CA -1.006 53.825 54.840 -0.014 0.000 0.927 79 L CB 0.718 42.757 42.059 -0.034 0.000 1.219 79 L HN -0.074 nan 8.230 nan 0.000 0.490 80 P HA -0.076 nan 4.420 nan 0.000 0.225 80 P C 0.489 177.810 177.300 0.035 0.000 1.156 80 P CA 0.848 63.956 63.100 0.013 0.000 0.787 80 P CB 0.448 32.163 31.700 0.025 0.000 0.802 81 D N -0.205 120.227 120.400 0.053 0.000 2.371 81 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 81 D C 1.268 177.652 176.300 0.141 0.000 0.986 81 D CA 0.688 54.766 54.000 0.130 0.000 0.899 81 D CB -0.026 40.852 40.800 0.131 0.000 0.902 81 D HN 0.300 nan 8.370 nan 0.000 0.530 82 L N 0.092 121.257 121.223 -0.097 0.000 3.017 82 L HA 0.339 4.679 4.340 -0.000 0.000 0.255 82 L C 1.707 178.245 176.870 -0.553 0.000 1.247 82 L CA -0.231 54.312 54.840 -0.495 0.000 1.038 82 L CB 0.545 42.383 42.059 -0.368 0.000 1.380 82 L HN -0.148 nan 8.230 nan 0.000 0.548 83 A N 0.707 123.367 122.820 -0.267 0.000 2.066 83 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 83 A C 1.884 179.408 177.584 -0.101 0.000 1.157 83 A CA 0.538 52.493 52.037 -0.136 0.000 0.670 83 A CB -0.462 18.535 19.000 -0.005 0.000 0.804 83 A HN 0.754 nan 8.150 nan 0.000 0.453 84 W N -1.553 119.750 121.300 0.004 0.000 2.721 84 W HA 0.094 4.754 4.660 -0.000 0.000 0.245 84 W C 0.641 177.160 176.519 0.000 0.000 1.276 84 W CA 0.145 57.491 57.345 0.002 0.000 1.342 84 W CB -0.887 28.574 29.460 0.002 0.000 1.135 84 W HN 0.212 nan 8.180 nan 0.000 0.654 85 M N 1.937 121.295 119.600 -0.404 0.000 2.888 85 M HA 0.121 4.601 4.480 -0.000 0.000 0.216 85 M C 2.377 178.600 176.300 -0.128 0.000 1.291 85 M CA 0.389 55.489 55.300 -0.332 0.000 1.105 85 M CB -0.256 31.996 32.600 -0.580 0.000 1.581 85 M HN 0.092 nan 8.290 nan 0.000 0.439 86 R N 0.077 120.558 120.500 -0.031 0.000 2.115 86 R HA 0.038 4.378 4.340 -0.000 0.000 0.230 86 R C 1.282 177.583 176.300 0.002 0.000 1.111 86 R CA 1.608 57.701 56.100 -0.012 0.000 0.976 86 R CB -1.489 28.822 30.300 0.017 0.000 0.870 86 R HN 0.616 nan 8.270 nan 0.000 0.445 87 Q N -0.038 119.778 119.800 0.028 0.000 2.296 87 Q HA 0.706 5.046 4.340 -0.000 0.000 0.263 87 Q C 1.049 177.057 176.000 0.013 0.000 1.026 87 Q CA 0.539 56.359 55.803 0.029 0.000 0.912 87 Q CB -1.771 26.999 28.738 0.054 0.000 1.198 87 Q HN 2.172 nan 8.270 nan 0.000 0.407 95 P HA -0.112 nan 4.420 nan 0.000 0.221 95 P C 0.109 177.401 177.300 -0.013 0.000 1.150 95 P CA 1.047 64.134 63.100 -0.023 0.000 0.800 95 P CB 0.188 31.876 31.700 -0.020 0.000 0.787 96 T N -2.193 112.353 114.554 -0.013 0.000 2.893 96 T HA 0.678 5.028 4.350 -0.000 0.000 0.291 96 T C -0.527 174.176 174.700 0.005 0.000 1.028 96 T CA -0.876 61.226 62.100 0.004 0.000 0.995 96 T CB 1.833 70.696 68.868 -0.007 0.000 1.051 96 T HN -0.163 nan 8.240 nan 0.000 0.470 97 L N 1.533 122.781 121.223 0.041 0.000 2.334 97 L HA 0.620 4.960 4.340 -0.000 0.000 0.276 97 L C 0.346 177.269 176.870 0.089 0.000 1.014 97 L CA -1.078 53.785 54.840 0.039 0.000 0.815 97 L CB 2.175 44.261 42.059 0.046 0.000 1.268 97 L HN 0.759 nan 8.230 nan 0.000 0.428 98 S N 3.655 119.389 115.700 0.058 0.000 2.399 98 S HA 0.569 5.039 4.470 -0.000 0.000 0.301 98 S C -0.525 174.230 174.600 0.258 0.000 1.093 98 S CA -0.502 57.776 58.200 0.129 0.000 1.077 98 S CB -0.250 63.002 63.200 0.087 0.000 0.980 98 S HN 0.360 nan 8.310 nan 0.000 0.494 99 L N 6.741 128.130 121.223 0.278 0.000 2.346 99 L HA 0.526 4.866 4.340 -0.000 0.000 0.274 99 L C -2.023 174.948 176.870 0.168 0.000 1.007 99 L CA -2.570 52.418 54.840 0.246 0.000 0.818 99 L CB 2.205 44.370 42.059 0.176 0.000 1.284 99 L HN 0.425 nan 8.230 nan 0.000 0.424 100 P HA 0.124 nan 4.420 nan 0.000 0.241 100 P C 0.119 177.407 177.300 -0.020 0.000 1.760 100 P CA 0.287 63.352 63.100 -0.059 0.000 1.081 100 P CB 0.281 31.807 31.700 -0.291 0.000 1.975 101 I N 0.135 120.746 120.570 0.068 0.000 4.655 101 I HA 0.219 4.389 4.170 -0.000 0.000 0.333 101 I C 1.498 177.680 176.117 0.108 0.000 1.312 101 I CA 0.143 61.486 61.300 0.071 0.000 1.270 101 I CB 0.214 38.242 38.000 0.046 0.000 1.318 101 I HN 0.126 nan 8.210 nan 0.000 0.456 102 G N 0.501 109.370 108.800 0.115 0.000 2.562 102 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.233 102 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.233 102 G C 0.407 175.341 174.900 0.057 0.000 1.266 102 G CA -0.041 45.111 45.100 0.087 0.000 0.852 102 G HN 0.152 nan 8.290 nan 0.000 0.581 103 D N 0.420 120.848 120.400 0.047 0.000 2.269 103 D HA -0.010 4.630 4.640 -0.000 0.000 0.208 103 D C 0.969 177.283 176.300 0.024 0.000 0.963 103 D CA 0.926 54.945 54.000 0.031 0.000 0.864 103 D CB 0.235 41.052 40.800 0.028 0.000 0.936 103 D HN 0.422 nan 8.370 nan 0.000 0.505 104 Q N 1.153 120.972 119.800 0.032 0.000 2.243 104 Q HA 0.270 4.610 4.340 -0.000 0.000 0.252 104 Q C 0.028 176.058 176.000 0.050 0.000 0.909 104 Q CA -0.152 55.672 55.803 0.035 0.000 0.922 104 Q CB 1.430 30.191 28.738 0.039 0.000 1.215 104 Q HN -0.037 nan 8.270 nan 0.000 0.427 105 E N 1.985 122.193 120.200 0.013 0.000 2.242 105 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 105 E C -0.925 175.674 176.600 -0.002 0.000 1.002 105 E CA -0.564 55.809 56.400 -0.046 0.000 0.841 105 E CB 1.271 30.873 29.700 -0.164 0.000 1.109 105 E HN 0.614 nan 8.360 nan 0.000 0.394 106 Y N -1.162 119.027 120.300 -0.185 0.000 2.553 106 Y HA 0.610 5.160 4.550 -0.000 0.000 0.347 106 Y C -1.301 174.467 175.900 -0.221 0.000 1.019 106 Y CA -1.600 56.413 58.100 -0.145 0.000 1.032 106 Y CB 0.710 39.158 38.460 -0.020 0.000 1.284 106 Y HN 0.225 nan 8.280 nan 0.000 0.466 107 F N 3.322 123.331 119.950 0.100 0.000 2.411 107 F HA 0.566 5.093 4.527 -0.000 0.000 0.350 107 F C -2.126 173.777 175.800 0.172 0.000 1.114 107 F CA -2.262 55.764 58.000 0.043 0.000 1.135 107 F CB 0.982 40.017 39.000 0.059 0.000 1.120 107 F HN 0.305 nan 8.300 nan 0.000 0.495 108 P HA 0.214 nan 4.420 nan 0.000 0.271 108 P C -1.187 176.303 177.300 0.317 0.000 1.218 108 P CA -0.455 62.842 63.100 0.328 0.000 0.780 108 P CB 0.691 32.527 31.700 0.226 0.000 0.901 109 K N 1.627 122.220 120.400 0.321 0.000 2.427 109 K HA 0.474 4.794 4.320 -0.000 0.000 0.252 109 K C -1.587 175.201 176.600 0.312 0.000 0.931 109 K CA -0.641 55.821 56.287 0.290 0.000 0.793 109 K CB 1.937 34.668 32.500 0.385 0.000 1.211 109 K HN 0.392 nan 8.250 nan 0.000 0.426 110 Y N 2.650 122.954 120.300 0.006 0.000 2.317 110 Y HA 0.324 4.874 4.550 -0.000 0.000 0.325 110 Y C -1.979 173.858 175.900 -0.104 0.000 1.066 110 Y CA -0.825 57.288 58.100 0.022 0.000 1.203 110 Y CB 0.782 39.255 38.460 0.021 0.000 1.127 110 Y HN 0.549 nan 8.280 nan 0.000 0.451 111 Y N 7.644 127.782 120.300 -0.269 0.000 2.721 111 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 111 Y C -2.024 173.637 175.900 -0.398 0.000 1.003 111 Y CA -2.246 55.728 58.100 -0.210 0.000 1.275 111 Y CB 0.617 39.066 38.460 -0.018 0.000 1.097 111 Y HN 0.485 nan 8.280 nan 0.000 0.514 112 P HA 0.120 nan 4.420 nan 0.000 0.272 112 P C -0.422 176.588 177.300 -0.484 0.000 1.223 112 P CA -0.301 62.439 63.100 -0.601 0.000 0.784 112 P CB 1.194 32.438 31.700 -0.760 0.000 0.923 113 T N 1.962 116.290 114.554 -0.377 0.000 2.771 113 T HA 0.245 4.595 4.350 -0.000 0.000 0.291 113 T C -0.238 174.213 174.700 -0.415 0.000 0.954 113 T CA -0.204 61.736 62.100 -0.266 0.000 1.045 113 T CB -0.146 68.667 68.868 -0.092 0.000 0.917 113 T HN 0.343 nan 8.240 nan 0.000 0.484 114 H N 2.468 121.442 119.070 -0.160 0.000 2.519 114 H HA 0.532 5.088 4.556 -0.000 0.000 0.316 114 H C 0.263 175.604 175.328 0.022 0.000 1.065 114 H CA -0.534 55.432 56.048 -0.137 0.000 1.264 114 H CB 0.743 30.368 29.762 -0.228 0.000 1.413 114 H HN 0.329 nan 8.280 nan 0.000 0.465 115 R N 4.275 124.899 120.500 0.207 0.000 2.575 115 R HA 0.326 4.666 4.340 -0.000 0.000 0.293 115 R C -2.852 173.743 176.300 0.491 0.000 0.983 115 R CA -2.085 54.186 56.100 0.284 0.000 0.887 115 R CB 2.096 32.538 30.300 0.236 0.000 1.184 115 R HN 0.454 nan 8.270 nan 0.000 0.445 116 P HA 0.152 nan 4.420 nan 0.000 0.277 116 P C -0.733 176.704 177.300 0.229 0.000 1.271 116 P CA -0.392 62.856 63.100 0.246 0.000 0.795 116 P CB 1.197 32.991 31.700 0.156 0.000 1.101 117 S N -1.721 114.027 115.700 0.080 0.000 2.697 117 S HA 0.342 4.812 4.470 -0.000 0.000 0.289 117 S C 1.014 175.565 174.600 -0.083 0.000 1.149 117 S CA -0.830 57.395 58.200 0.042 0.000 0.850 117 S CB 1.709 64.949 63.200 0.066 0.000 1.151 117 S HN 0.440 nan 8.310 nan 0.000 0.491 118 K N 0.361 120.697 120.400 -0.106 0.000 2.113 118 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 118 K C 1.308 177.849 176.600 -0.099 0.000 1.047 118 K CA 2.064 58.263 56.287 -0.147 0.000 0.928 118 K CB -0.324 32.105 32.500 -0.119 0.000 0.716 118 K HN 0.662 nan 8.250 nan 0.000 0.446 119 E N 0.398 120.564 120.200 -0.056 0.000 2.072 119 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 119 E C 0.107 176.683 176.600 -0.039 0.000 0.982 119 E CA 1.224 57.600 56.400 -0.040 0.000 0.803 119 E CB 0.206 29.894 29.700 -0.020 0.000 0.755 119 E HN 0.110 nan 8.360 nan 0.000 0.453 120 K N 0.530 120.910 120.400 -0.032 0.000 2.592 120 K HA 0.200 4.520 4.320 -0.000 0.000 0.212 120 K C -2.307 174.273 176.600 -0.033 0.000 1.013 120 K CA -1.259 55.011 56.287 -0.029 0.000 1.034 120 K CB 1.859 34.348 32.500 -0.018 0.000 1.292 120 K HN -0.063 nan 8.250 nan 0.000 0.521 121 P HA 0.020 nan 4.420 nan 0.000 0.251 121 P C -0.018 177.281 177.300 -0.002 0.000 1.223 121 P CA 0.404 63.467 63.100 -0.063 0.000 0.796 121 P CB 0.363 31.995 31.700 -0.113 0.000 1.068 122 N N -0.144 118.551 118.700 -0.008 0.000 2.276 122 N HA 0.146 4.885 4.740 -0.000 0.000 0.212 122 N C 1.362 176.854 175.510 -0.029 0.000 1.127 122 N CA 0.157 53.210 53.050 0.005 0.000 0.834 122 N CB 0.008 38.490 38.487 -0.008 0.000 1.014 122 N HN 0.050 nan 8.380 nan 0.000 0.491 123 A N 0.340 123.121 122.820 -0.066 0.000 1.865 123 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 123 A C 0.103 177.416 177.584 -0.452 0.000 1.191 123 A CA 1.297 53.157 52.037 -0.295 0.000 0.623 123 A CB -0.330 18.486 19.000 -0.306 0.000 0.826 123 A HN 0.289 nan 8.150 nan 0.000 0.444 124 Y N 0.307 120.724 120.300 0.194 0.000 2.787 124 Y HA 0.363 4.913 4.550 -0.000 0.000 0.352 124 Y C -2.500 173.571 175.900 0.285 0.000 1.027 124 Y CA -3.090 55.162 58.100 0.254 0.000 1.219 124 Y CB 0.579 39.291 38.460 0.421 0.000 1.110 124 Y HN 0.195 nan 8.280 nan 0.000 0.614 125 P HA 0.171 nan 4.420 nan 0.000 0.274 125 P C -2.596 174.797 177.300 0.155 0.000 1.231 125 P CA -1.431 61.800 63.100 0.218 0.000 0.790 125 P CB 0.848 32.610 31.700 0.102 0.000 0.951 126 P HA 0.047 nan 4.420 nan 0.000 0.272 126 P C -0.198 176.979 177.300 -0.206 0.000 1.230 126 P CA 0.058 62.882 63.100 -0.460 0.000 0.788 126 P CB 0.451 31.793 31.700 -0.597 0.000 0.949 127 D N 1.620 121.894 120.400 -0.210 0.000 2.551 127 D HA 0.059 4.699 4.640 -0.000 0.000 0.223 127 D C 1.355 177.631 176.300 -0.040 0.000 1.144 127 D CA -0.226 53.733 54.000 -0.070 0.000 1.025 127 D CB -0.626 40.158 40.800 -0.027 0.000 1.085 127 D HN 0.271 nan 8.370 nan 0.000 0.506 128 I N -0.474 120.075 120.570 -0.035 0.000 2.546 128 I HA -0.027 4.143 4.170 -0.000 0.000 0.255 128 I C 1.946 178.068 176.117 0.008 0.000 1.163 128 I CA 0.428 61.718 61.300 -0.017 0.000 1.457 128 I CB -0.085 37.907 38.000 -0.014 0.000 1.092 128 I HN 0.128 nan 8.210 nan 0.000 0.434 129 A N 1.825 124.658 122.820 0.023 0.000 1.933 129 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 129 A C 2.294 179.891 177.584 0.023 0.000 1.175 129 A CA 1.895 53.946 52.037 0.024 0.000 0.628 129 A CB -0.810 18.217 19.000 0.044 0.000 0.814 129 A HN 0.535 nan 8.150 nan 0.000 0.444 130 L N -0.866 120.398 121.223 0.068 0.000 2.056 130 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 130 L C 2.243 179.134 176.870 0.035 0.000 1.078 130 L CA 1.898 56.772 54.840 0.056 0.000 0.749 130 L CB -0.512 41.645 42.059 0.163 0.000 0.901 130 L HN 0.346 nan 8.230 nan 0.000 0.433 131 L N -0.152 121.090 121.223 0.032 0.000 2.012 131 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 131 L C 2.468 179.364 176.870 0.042 0.000 1.073 131 L CA 1.968 56.826 54.840 0.030 0.000 0.748 131 L CB -0.706 41.360 42.059 0.011 0.000 0.891 131 L HN 0.244 nan 8.230 nan 0.000 0.431 132 K N -1.102 119.320 120.400 0.036 0.000 2.097 132 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 132 K C 2.190 178.842 176.600 0.087 0.000 1.049 132 K CA 1.558 57.876 56.287 0.052 0.000 0.933 132 K CB -0.196 32.319 32.500 0.026 0.000 0.717 132 K HN 0.317 nan 8.250 nan 0.000 0.442 133 Q N 0.844 120.676 119.800 0.053 0.000 2.119 133 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 133 Q C 1.858 177.947 176.000 0.147 0.000 0.972 133 Q CA 1.618 57.465 55.803 0.074 0.000 0.847 133 Q CB 0.011 28.735 28.738 -0.022 0.000 0.903 133 Q HN 0.262 nan 8.270 nan 0.000 0.433 134 M N -0.871 118.793 119.600 0.106 0.000 2.132 134 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 134 M C 1.928 178.323 176.300 0.158 0.000 1.065 134 M CA 1.265 56.639 55.300 0.122 0.000 1.122 134 M CB -0.208 32.448 32.600 0.093 0.000 1.365 134 M HN 0.224 nan 8.290 nan 0.000 0.411 135 I N -1.120 119.534 120.570 0.140 0.000 2.226 135 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 135 I C 2.472 178.717 176.117 0.213 0.000 1.100 135 I CA 1.390 62.788 61.300 0.163 0.000 1.374 135 I CB -0.533 37.534 38.000 0.113 0.000 1.057 135 I HN 0.228 nan 8.210 nan 0.000 0.413 136 Y N 1.727 122.078 120.300 0.085 0.000 2.128 136 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 136 Y C 2.278 178.219 175.900 0.068 0.000 1.154 136 Y CA 1.737 59.875 58.100 0.062 0.000 1.149 136 Y CB -0.301 38.176 38.460 0.029 0.000 0.976 136 Y HN 0.009 nan 8.280 nan 0.000 0.505 137 L N -1.215 120.064 121.223 0.093 0.000 2.141 137 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 137 L C 2.283 179.152 176.870 -0.001 0.000 1.094 137 L CA 1.346 56.191 54.840 0.007 0.000 0.763 137 L CB -0.655 41.480 42.059 0.125 0.000 0.908 137 L HN 0.318 nan 8.230 nan 0.000 0.437 138 F N 0.181 120.102 119.950 -0.047 0.000 2.407 138 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 138 F C 1.935 177.693 175.800 -0.071 0.000 1.097 138 F CA 1.160 59.138 58.000 -0.037 0.000 1.422 138 F CB 0.038 39.036 39.000 -0.002 0.000 1.067 138 F HN -0.100 nan 8.300 nan 0.000 0.539 139 L N -0.260 120.880 121.223 -0.138 0.000 2.270 139 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 139 L C 2.091 178.785 176.870 -0.293 0.000 1.104 139 L CA 0.310 55.014 54.840 -0.228 0.000 0.804 139 L CB -0.514 41.484 42.059 -0.101 0.000 0.937 139 L HN 0.059 nan 8.230 nan 0.000 0.450 140 Q N -0.149 119.452 119.800 -0.332 0.000 2.436 140 Q HA 0.062 4.402 4.340 -0.000 0.000 0.209 140 Q C 0.385 176.254 176.000 -0.218 0.000 0.965 140 Q CA 0.415 56.042 55.803 -0.295 0.000 0.910 140 Q CB -0.114 28.416 28.738 -0.345 0.000 0.980 140 Q HN 0.226 nan 8.270 nan 0.000 0.491 141 V N 3.406 123.167 119.914 -0.255 0.000 2.461 141 V HA 0.162 4.282 4.120 -0.000 0.000 0.275 141 V C -2.118 173.834 176.094 -0.236 0.000 1.047 141 V CA -1.573 60.593 62.300 -0.224 0.000 0.955 141 V CB 1.149 32.831 31.823 -0.236 0.000 0.988 141 V HN 0.033 nan 8.190 nan 0.000 0.471 142 P HA 0.342 nan 4.420 nan 0.000 0.265 142 P C 0.259 177.478 177.300 -0.135 0.000 1.222 142 P CA 1.012 64.033 63.100 -0.132 0.000 0.767 142 P CB 0.086 31.733 31.700 -0.089 0.000 0.801 143 E N 1.720 121.835 120.200 -0.143 0.000 2.257 143 E HA -0.093 4.257 4.350 -0.000 0.000 0.217 143 E C 0.465 176.975 176.600 -0.149 0.000 1.248 143 E CA 0.393 56.723 56.400 -0.117 0.000 0.691 143 E CB -2.310 27.350 29.700 -0.067 0.000 1.185 143 E HN 0.780 nan 8.360 nan 0.000 0.377 144 A N 1.085 123.722 122.820 -0.305 0.000 2.608 144 A HA 0.191 4.511 4.320 -0.000 0.000 0.246 144 A C 0.571 178.144 177.584 -0.018 0.000 0.998 144 A CA 0.956 52.734 52.037 -0.432 0.000 0.796 144 A CB 0.071 18.293 19.000 -1.297 0.000 0.895 144 A HN 0.954 nan 8.150 nan 0.000 0.508 145 N N 2.609 121.353 118.700 0.075 0.000 2.406 145 N HA 0.019 4.759 4.740 -0.000 0.000 0.251 145 N C 1.406 177.034 175.510 0.196 0.000 1.069 145 N CA 0.055 53.178 53.050 0.121 0.000 0.947 145 N CB 0.501 39.031 38.487 0.070 0.000 1.111 145 N HN 0.787 nan 8.380 nan 0.000 0.497 146 E N 3.551 123.840 120.200 0.149 0.000 2.332 146 E HA -0.306 4.044 4.350 -0.000 0.000 0.223 146 E C 1.460 178.105 176.600 0.075 0.000 1.095 146 E CA 2.044 58.505 56.400 0.102 0.000 0.897 146 E CB -1.063 28.669 29.700 0.054 0.000 0.763 146 E HN 0.792 nan 8.360 nan 0.000 0.464 147 G N 1.655 110.503 108.800 0.081 0.000 2.459 147 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 147 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 147 G C 1.893 176.843 174.900 0.084 0.000 1.183 147 G CA 1.422 46.562 45.100 0.066 0.000 0.776 147 G HN 0.292 nan 8.290 nan 0.000 0.552 148 L N -0.030 121.283 121.223 0.149 0.000 2.109 148 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 148 L C 2.793 179.704 176.870 0.068 0.000 1.086 148 L CA 1.085 56.038 54.840 0.189 0.000 0.760 148 L CB -0.300 41.950 42.059 0.319 0.000 0.910 148 L HN 0.186 nan 8.230 nan 0.000 0.437 149 K N 0.374 120.749 120.400 -0.043 0.000 2.147 149 K HA -0.257 4.063 4.320 -0.000 0.000 0.205 149 K C 1.640 178.075 176.600 -0.276 0.000 1.049 149 K CA 1.796 57.776 56.287 -0.511 0.000 0.936 149 K CB -0.040 32.187 32.500 -0.454 0.000 0.722 149 K HN 0.171 nan 8.250 nan 0.000 0.446 150 D N 0.853 121.172 120.400 -0.135 0.000 2.221 150 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 150 D C 1.389 177.586 176.300 -0.172 0.000 0.982 150 D CA 1.213 55.132 54.000 -0.134 0.000 0.857 150 D CB 0.201 40.942 40.800 -0.097 0.000 0.934 150 D HN 0.317 nan 8.370 nan 0.000 0.475 151 E N -0.628 119.509 120.200 -0.106 0.000 2.106 151 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 151 E C 2.254 178.874 176.600 0.034 0.000 0.984 151 E CA 0.732 57.119 56.400 -0.022 0.000 0.806 151 E CB 0.178 29.991 29.700 0.188 0.000 0.750 151 E HN 0.197 nan 8.360 nan 0.000 0.458 152 V N 1.193 121.071 119.914 -0.060 0.000 2.307 152 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 152 V C 2.300 178.346 176.094 -0.080 0.000 1.045 152 V CA 2.110 64.365 62.300 -0.074 0.000 1.024 152 V CB -0.686 31.015 31.823 -0.203 0.000 0.651 152 V HN 0.326 nan 8.190 nan 0.000 0.449 153 T N 0.617 115.093 114.554 -0.130 0.000 2.746 153 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 153 T C 1.885 176.523 174.700 -0.103 0.000 1.039 153 T CA 1.740 63.773 62.100 -0.112 0.000 1.142 153 T CB -0.336 68.458 68.868 -0.124 0.000 0.866 153 T HN 0.279 nan 8.240 nan 0.000 0.444 154 L N 0.773 121.898 121.223 -0.163 0.000 2.056 154 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 154 L C 2.137 178.977 176.870 -0.050 0.000 1.078 154 L CA 1.374 56.083 54.840 -0.217 0.000 0.749 154 L CB -0.855 40.862 42.059 -0.571 0.000 0.901 154 L HN 0.157 nan 8.230 nan 0.000 0.433 155 L N -1.075 120.200 121.223 0.086 0.000 2.056 155 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 155 L C 2.299 179.208 176.870 0.065 0.000 1.078 155 L CA 2.268 57.219 54.840 0.186 0.000 0.749 155 L CB -0.866 41.322 42.059 0.216 0.000 0.901 155 L HN 0.315 nan 8.230 nan 0.000 0.433 156 T N -1.268 113.298 114.554 0.021 0.000 2.708 156 T HA -0.246 4.104 4.350 -0.000 0.000 0.266 156 T C 1.794 176.496 174.700 0.004 0.000 1.037 156 T CA 1.572 63.673 62.100 0.000 0.000 1.146 156 T CB -0.239 68.619 68.868 -0.017 0.000 0.865 156 T HN 0.277 nan 8.240 nan 0.000 0.435 157 Q N 1.333 121.130 119.800 -0.005 0.000 2.124 157 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 157 Q C 2.178 178.192 176.000 0.023 0.000 0.977 157 Q CA 1.313 57.113 55.803 -0.005 0.000 0.850 157 Q CB -0.405 28.318 28.738 -0.026 0.000 0.901 157 Q HN 0.418 nan 8.270 nan 0.000 0.429 158 N N -0.427 118.304 118.700 0.052 0.000 2.142 158 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 158 N C 1.750 177.364 175.510 0.173 0.000 1.023 158 N CA 1.290 54.404 53.050 0.108 0.000 0.852 158 N CB -0.080 38.491 38.487 0.140 0.000 0.998 158 N HN 0.335 nan 8.380 nan 0.000 0.424 159 I N 1.308 121.937 120.570 0.098 0.000 2.226 159 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 159 I C 2.439 178.641 176.117 0.142 0.000 1.100 159 I CA 1.062 62.406 61.300 0.074 0.000 1.374 159 I CB -0.106 37.848 38.000 -0.076 0.000 1.057 159 I HN 0.065 nan 8.210 nan 0.000 0.413 160 R N 0.724 121.254 120.500 0.049 0.000 2.075 160 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 160 R C 1.916 178.171 176.300 -0.075 0.000 1.126 160 R CA 1.804 57.899 56.100 -0.008 0.000 0.963 160 R CB -0.401 29.890 30.300 -0.014 0.000 0.858 160 R HN 0.574 nan 8.270 nan 0.000 0.435 161 D N 0.111 120.485 120.400 -0.044 0.000 2.327 161 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 161 D C 0.202 176.421 176.300 -0.134 0.000 0.989 161 D CA 0.522 54.467 54.000 -0.092 0.000 0.873 161 D CB 0.349 41.126 40.800 -0.038 0.000 0.955 161 D HN -0.088 nan 8.370 nan 0.000 0.515 162 K N 0.407 120.767 120.400 -0.068 0.000 2.139 162 K HA 0.703 5.023 4.320 -0.000 0.000 0.243 162 K C -0.610 175.703 176.600 -0.479 0.000 0.983 162 K CA -0.812 55.388 56.287 -0.144 0.000 0.890 162 K CB 2.189 34.693 32.500 0.007 0.000 1.090 162 K HN 0.107 nan 8.250 nan 0.000 0.445 163 A N 1.466 123.952 122.820 -0.556 0.000 2.465 163 A HA 0.314 4.634 4.320 -0.000 0.000 0.292 163 A C -1.871 175.534 177.584 -0.298 0.000 1.041 163 A CA -0.709 50.891 52.037 -0.728 0.000 0.718 163 A CB 0.678 19.322 19.000 -0.594 0.000 1.266 163 A HN 0.650 nan 8.150 nan 0.000 0.403 164 Y N 2.271 122.268 120.300 -0.505 0.000 2.335 164 Y HA 0.554 5.104 4.550 -0.000 0.000 0.331 164 Y C 0.705 176.659 175.900 0.090 0.000 1.094 164 Y CA 1.361 59.373 58.100 -0.147 0.000 1.253 164 Y CB 0.910 39.294 38.460 -0.127 0.000 1.203 164 Y HN 1.365 nan 8.280 nan 0.000 0.508 165 G N 1.828 110.360 108.800 -0.447 0.000 2.317 165 G HA2 0.104 4.064 3.960 -0.000 0.000 0.293 165 G HA3 0.104 4.064 3.960 -0.000 0.000 0.293 165 G C -0.706 174.150 174.900 -0.074 0.000 1.287 165 G CA -0.277 44.770 45.100 -0.088 0.000 0.850 165 G HN 0.451 nan 8.290 nan 0.000 0.515 166 S N 0.162 115.867 115.700 0.009 0.000 2.605 166 S HA 0.449 4.919 4.470 -0.000 0.000 0.217 166 S C 1.582 176.024 174.600 -0.263 0.000 0.958 166 S CA 1.273 59.399 58.200 -0.122 0.000 0.919 166 S CB -0.171 62.926 63.200 -0.171 0.000 0.780 166 S HN 2.316 nan 8.310 nan 0.000 0.507 167 G N 2.142 110.503 108.800 -0.731 0.000 2.550 167 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.277 167 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.277 167 G C -0.008 174.304 174.900 -0.979 0.000 1.190 167 G CA 0.273 44.476 45.100 -1.496 0.000 0.971 167 G HN 1.092 nan 8.290 nan 0.000 0.559 168 T N -3.932 110.066 114.554 -0.927 0.000 2.841 168 T HA 0.619 4.969 4.350 -0.000 0.000 0.296 168 T C 0.600 174.791 174.700 -0.848 0.000 1.166 168 T CA 0.224 61.746 62.100 -0.963 0.000 1.007 168 T CB 1.556 70.081 68.868 -0.571 0.000 1.253 168 T HN 0.667 nan 8.240 nan 0.000 0.511 169 Y N 0.293 120.129 120.300 -0.774 0.000 2.224 169 Y HA -0.046 4.504 4.550 -0.000 0.000 0.289 169 Y C 2.708 178.399 175.900 -0.348 0.000 1.146 169 Y CA 1.700 59.568 58.100 -0.387 0.000 1.182 169 Y CB -0.522 37.782 38.460 -0.261 0.000 0.983 169 Y HN 0.639 nan 8.280 nan 0.000 0.524 170 M N 0.031 119.497 119.600 -0.223 0.000 2.117 170 M HA -0.077 4.402 4.480 -0.000 0.000 0.262 170 M C 2.280 178.388 176.300 -0.319 0.000 1.065 170 M CA 2.079 57.187 55.300 -0.321 0.000 1.114 170 M CB -1.058 31.378 32.600 -0.273 0.000 1.361 170 M HN 0.182 nan 8.290 nan 0.000 0.408 171 G N -0.967 107.633 108.800 -0.334 0.000 2.402 171 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 171 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 171 G C 1.433 176.185 174.900 -0.247 0.000 1.162 171 G CA 0.647 45.548 45.100 -0.331 0.000 0.777 171 G HN 0.594 nan 8.290 nan 0.000 0.539 172 Q N 0.214 119.881 119.800 -0.221 0.000 2.050 172 Q HA -0.052 4.287 4.340 -0.000 0.000 0.202 172 Q C 3.032 178.997 176.000 -0.059 0.000 0.980 172 Q CA 1.349 57.090 55.803 -0.104 0.000 0.840 172 Q CB -0.278 28.438 28.738 -0.036 0.000 0.898 172 Q HN 0.475 nan 8.270 nan 0.000 0.424 173 A N 1.305 124.068 122.820 -0.095 0.000 1.898 173 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 173 A C 1.683 179.304 177.584 0.062 0.000 1.181 173 A CA 1.727 53.729 52.037 -0.059 0.000 0.620 173 A CB -0.716 18.182 19.000 -0.171 0.000 0.819 173 A HN 0.389 nan 8.150 nan 0.000 0.442 174 N N -0.942 117.747 118.700 -0.017 0.000 2.120 174 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 174 N C 1.941 177.492 175.510 0.067 0.000 1.024 174 N CA 1.479 54.583 53.050 0.090 0.000 0.852 174 N CB -0.152 38.333 38.487 -0.003 0.000 1.003 174 N HN 0.478 nan 8.380 nan 0.000 0.424 175 R N 1.301 121.809 120.500 0.015 0.000 2.081 175 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 175 R C 1.743 178.092 176.300 0.081 0.000 1.131 175 R CA 1.161 57.282 56.100 0.035 0.000 0.960 175 R CB -0.547 29.761 30.300 0.013 0.000 0.856 175 R HN 0.232 nan 8.270 nan 0.000 0.436 176 L N -0.457 120.814 121.223 0.081 0.000 2.046 176 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 176 L C 2.269 179.282 176.870 0.238 0.000 1.077 176 L CA 1.100 56.027 54.840 0.144 0.000 0.747 176 L CB -0.427 41.601 42.059 -0.052 0.000 0.896 176 L HN 0.062 nan 8.230 nan 0.000 0.432 177 V N -0.033 119.967 119.914 0.144 0.000 2.407 177 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 177 V C 2.684 178.820 176.094 0.071 0.000 1.055 177 V CA 1.717 64.102 62.300 0.142 0.000 1.049 177 V CB -0.862 31.014 31.823 0.088 0.000 0.662 177 V HN 0.477 nan 8.190 nan 0.000 0.455 178 A N -0.657 122.206 122.820 0.071 0.000 1.929 178 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 178 A C 2.216 179.823 177.584 0.039 0.000 1.176 178 A CA 1.812 53.873 52.037 0.041 0.000 0.628 178 A CB -0.429 18.597 19.000 0.043 0.000 0.816 178 A HN 0.479 nan 8.150 nan 0.000 0.444 179 M N -0.665 118.983 119.600 0.081 0.000 2.159 179 M HA -0.139 4.340 4.480 -0.000 0.000 0.263 179 M C 2.231 178.558 176.300 0.046 0.000 1.063 179 M CA 1.854 57.211 55.300 0.095 0.000 1.110 179 M CB -0.199 32.504 32.600 0.172 0.000 1.374 179 M HN 0.415 nan 8.290 nan 0.000 0.411 180 K N 0.146 120.531 120.400 -0.026 0.000 2.097 180 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 180 K C 2.022 178.466 176.600 -0.259 0.000 1.050 180 K CA 1.088 57.147 56.287 -0.380 0.000 0.938 180 K CB -0.027 32.073 32.500 -0.668 0.000 0.718 180 K HN 0.193 nan 8.250 nan 0.000 0.442 181 E N 0.751 120.874 120.200 -0.128 0.000 2.077 181 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 181 E C 1.915 178.473 176.600 -0.070 0.000 0.989 181 E CA 1.059 57.404 56.400 -0.093 0.000 0.800 181 E CB 0.010 29.678 29.700 -0.053 0.000 0.746 181 E HN 0.126 nan 8.360 nan 0.000 0.452 182 V N 1.179 121.065 119.914 -0.047 0.000 2.407 182 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 182 V C 2.515 178.590 176.094 -0.032 0.000 1.055 182 V CA 1.816 64.095 62.300 -0.035 0.000 1.049 182 V CB -0.767 31.047 31.823 -0.015 0.000 0.662 182 V HN 0.325 nan 8.190 nan 0.000 0.455 183 A N 0.166 122.971 122.820 -0.026 0.000 1.930 183 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 183 A C 2.231 179.811 177.584 -0.006 0.000 1.176 183 A CA 2.004 54.046 52.037 0.009 0.000 0.632 183 A CB -0.329 18.723 19.000 0.086 0.000 0.819 183 A HN 0.617 nan 8.150 nan 0.000 0.445 184 T N -5.273 109.246 114.554 -0.057 0.000 3.041 184 T HA 0.412 4.762 4.350 -0.000 0.000 0.276 184 T C 1.247 175.908 174.700 -0.066 0.000 0.948 184 T CA 0.851 62.918 62.100 -0.055 0.000 0.885 184 T CB 0.221 69.042 68.868 -0.079 0.000 1.175 184 T HN 0.329 nan 8.240 nan 0.000 0.529 185 G N 1.821 110.577 108.800 -0.073 0.000 3.199 185 G HA2 0.215 4.175 3.960 -0.000 0.000 0.184 185 G HA3 0.215 4.175 3.960 -0.000 0.000 0.184 185 G C 1.186 176.053 174.900 -0.054 0.000 1.974 185 G CA 0.078 45.138 45.100 -0.067 0.000 0.885 185 G HN 0.355 nan 8.290 nan 0.000 0.575 186 R N 0.089 120.556 120.500 -0.054 0.000 2.083 186 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 186 R C 0.286 176.553 176.300 -0.057 0.000 1.137 186 R CA 1.743 57.811 56.100 -0.054 0.000 0.951 186 R CB -0.235 30.030 30.300 -0.058 0.000 0.851 186 R HN 0.380 nan 8.270 nan 0.000 0.434 187 N N 0.426 119.089 118.700 -0.061 0.000 2.790 187 N HA 0.248 4.988 4.740 -0.000 0.000 0.256 187 N C -2.777 172.705 175.510 -0.046 0.000 1.409 187 N CA -2.158 50.855 53.050 -0.061 0.000 0.799 187 N CB 1.451 39.885 38.487 -0.090 0.000 1.170 187 N HN 0.010 nan 8.380 nan 0.000 0.507 188 P HA 0.062 nan 4.420 nan 0.000 0.266 188 P C -0.488 176.809 177.300 -0.006 0.000 1.195 188 P CA -0.067 63.021 63.100 -0.020 0.000 0.768 188 P CB 0.582 32.271 31.700 -0.017 0.000 0.838 189 N N 2.293 120.999 118.700 0.010 0.000 2.395 189 N HA 0.027 4.767 4.740 -0.000 0.000 0.246 189 N C 0.159 175.690 175.510 0.036 0.000 1.246 189 N CA 0.655 53.725 53.050 0.033 0.000 0.879 189 N CB 0.135 38.652 38.487 0.050 0.000 1.098 189 N HN 0.346 nan 8.380 nan 0.000 0.444 190 K N 0.969 121.405 120.400 0.060 0.000 2.397 190 K HA 0.170 4.490 4.320 -0.000 0.000 0.253 190 K C -1.056 175.549 176.600 0.007 0.000 0.932 190 K CA -0.926 55.380 56.287 0.031 0.000 0.795 190 K CB 1.613 34.130 32.500 0.029 0.000 1.159 190 K HN 0.553 nan 8.250 nan 0.000 0.424 191 D N 4.072 124.432 120.400 -0.067 0.000 2.383 191 D HA 0.020 4.660 4.640 -0.000 0.000 0.252 191 D C -1.664 174.518 176.300 -0.196 0.000 1.166 191 D CA -1.500 52.383 54.000 -0.197 0.000 0.879 191 D CB 1.198 41.913 40.800 -0.141 0.000 1.164 191 D HN 0.194 nan 8.370 nan 0.000 0.462 192 P HA -0.144 nan 4.420 nan 0.000 0.218 192 P C 1.751 179.043 177.300 -0.014 0.000 1.149 192 P CA 0.765 63.775 63.100 -0.150 0.000 0.817 192 P CB 0.221 31.709 31.700 -0.353 0.000 0.785 193 L N -0.691 120.451 121.223 -0.135 0.000 2.265 193 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 193 L C 2.571 179.395 176.870 -0.077 0.000 1.117 193 L CA 1.298 56.053 54.840 -0.141 0.000 0.782 193 L CB -0.893 41.006 42.059 -0.266 0.000 0.914 193 L HN -0.031 nan 8.230 nan 0.000 0.441 194 K N 0.281 120.645 120.400 -0.060 0.000 2.426 194 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 194 K C 1.584 178.171 176.600 -0.022 0.000 1.028 194 K CA 0.129 56.392 56.287 -0.040 0.000 1.047 194 K CB 0.319 32.793 32.500 -0.042 0.000 0.821 194 K HN 0.291 nan 8.250 nan 0.000 0.513 195 L N -1.343 119.880 121.223 -0.000 0.000 2.640 195 L HA 0.242 4.582 4.340 -0.000 0.000 0.230 195 L C 1.057 177.874 176.870 -0.089 0.000 1.123 195 L CA 0.410 55.248 54.840 -0.003 0.000 0.900 195 L CB 0.882 42.992 42.059 0.085 0.000 1.146 195 L HN 0.389 nan 8.230 nan 0.000 0.484 196 G N -1.639 107.104 108.800 -0.095 0.000 2.255 196 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.196 196 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.196 196 G C -0.015 174.750 174.900 -0.227 0.000 0.998 196 G CA -0.653 44.346 45.100 -0.168 0.000 0.656 196 G HN 0.101 nan 8.290 nan 0.000 0.490 197 Y N 2.114 122.345 120.300 -0.114 0.000 2.357 197 Y HA 0.509 5.059 4.550 -0.000 0.000 0.340 197 Y C 1.362 177.133 175.900 -0.214 0.000 1.260 197 Y CA 0.903 58.903 58.100 -0.166 0.000 1.425 197 Y CB 1.086 39.446 38.460 -0.167 0.000 1.326 197 Y HN 0.322 nan 8.280 nan 0.000 0.580 198 T N -2.525 111.965 114.554 -0.108 0.000 2.887 198 T HA 0.358 4.708 4.350 -0.000 0.000 0.292 198 T C 0.375 174.905 174.700 -0.283 0.000 1.087 198 T CA -0.737 61.195 62.100 -0.280 0.000 1.009 198 T CB 0.675 69.238 68.868 -0.508 0.000 1.203 198 T HN 0.302 nan 8.240 nan 0.000 0.518 199 F N 0.586 120.409 119.950 -0.212 0.000 2.161 199 F HA 0.050 4.577 4.527 -0.000 0.000 0.300 199 F C 2.544 178.086 175.800 -0.430 0.000 1.089 199 F CA 1.607 59.320 58.000 -0.477 0.000 1.282 199 F CB -0.723 37.674 39.000 -1.004 0.000 1.010 199 F HN 0.685 nan 8.300 nan 0.000 0.485 200 E N 0.308 120.417 120.200 -0.151 0.000 2.076 200 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 200 E C 2.297 178.781 176.600 -0.194 0.000 0.979 200 E CA 1.391 57.787 56.400 -0.007 0.000 0.807 200 E CB -0.374 29.237 29.700 -0.149 0.000 0.761 200 E HN 0.254 nan 8.360 nan 0.000 0.454 201 S N -0.012 115.413 115.700 -0.458 0.000 2.368 201 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 201 S C 2.134 176.614 174.600 -0.199 0.000 1.030 201 S CA 1.220 59.099 58.200 -0.536 0.000 0.999 201 S CB -0.614 62.238 63.200 -0.580 0.000 0.844 201 S HN 0.331 nan 8.310 nan 0.000 0.459 202 I N 2.310 122.826 120.570 -0.091 0.000 2.252 202 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 202 I C 3.093 179.188 176.117 -0.037 0.000 1.102 202 I CA 1.077 62.335 61.300 -0.071 0.000 1.385 202 I CB -0.665 37.286 38.000 -0.080 0.000 1.064 202 I HN 0.439 nan 8.210 nan 0.000 0.414 203 A N 0.134 123.017 122.820 0.106 0.000 1.933 203 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 203 A C 2.246 179.942 177.584 0.186 0.000 1.175 203 A CA 1.528 53.737 52.037 0.288 0.000 0.628 203 A CB -0.541 18.811 19.000 0.585 0.000 0.814 203 A HN 0.482 nan 8.150 nan 0.000 0.444 204 Q N -0.726 119.118 119.800 0.074 0.000 2.297 204 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 204 Q C 1.906 177.903 176.000 -0.006 0.000 0.962 204 Q CA 0.785 56.611 55.803 0.038 0.000 0.879 204 Q CB -0.175 28.538 28.738 -0.041 0.000 0.947 204 Q HN 0.688 nan 8.270 nan 0.000 0.462 205 L N -0.109 121.082 121.223 -0.053 0.000 2.072 205 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 205 L C 1.998 178.811 176.870 -0.096 0.000 1.079 205 L CA 0.810 55.613 54.840 -0.062 0.000 0.752 205 L CB -0.173 41.842 42.059 -0.074 0.000 0.906 205 L HN 0.226 nan 8.230 nan 0.000 0.436 206 L N -0.637 120.458 121.223 -0.213 0.000 2.376 206 L HA -0.137 4.203 4.340 -0.000 0.000 0.219 206 L C 1.921 178.653 176.870 -0.231 0.000 1.133 206 L CA 0.376 54.954 54.840 -0.438 0.000 0.816 206 L CB -0.479 40.900 42.059 -1.133 0.000 0.933 206 L HN 0.221 nan 8.230 nan 0.000 0.449 207 D N 0.269 120.694 120.400 0.041 0.000 2.182 207 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 207 D C 2.095 178.461 176.300 0.110 0.000 0.986 207 D CA 1.241 55.354 54.000 0.188 0.000 0.847 207 D CB 0.209 41.110 40.800 0.168 0.000 0.942 207 D HN 0.228 nan 8.370 nan 0.000 0.467 208 I N 0.460 121.066 120.570 0.060 0.000 2.364 208 I HA -0.120 4.050 4.170 -0.000 0.000 0.241 208 I C 2.532 178.693 176.117 0.074 0.000 1.082 208 I CA 1.190 62.530 61.300 0.067 0.000 1.401 208 I CB -1.560 36.475 38.000 0.058 0.000 1.126 208 I HN 0.038 nan 8.210 nan 0.000 0.429 209 T N -0.696 113.889 114.554 0.052 0.000 3.023 209 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 209 T C 0.872 175.668 174.700 0.161 0.000 1.093 209 T CA 0.556 62.722 62.100 0.111 0.000 1.129 209 T CB -0.091 68.820 68.868 0.071 0.000 0.899 209 T HN 0.096 nan 8.240 nan 0.000 0.491 210 L N 1.804 123.046 121.223 0.032 0.000 2.448 210 L HA 0.489 4.829 4.340 -0.000 0.000 0.257 210 L C -2.987 173.938 176.870 0.092 0.000 1.504 210 L CA -2.054 52.762 54.840 -0.039 0.000 0.852 210 L CB 1.600 43.516 42.059 -0.237 0.000 1.051 210 L HN -0.138 nan 8.230 nan 0.000 0.518 211 P HA 0.250 nan 4.420 nan 0.000 0.271 211 P C -0.932 176.420 177.300 0.087 0.000 1.220 211 P CA 0.049 63.230 63.100 0.134 0.000 0.768 211 P CB 1.069 32.827 31.700 0.097 0.000 0.848 212 V N 0.901 120.844 119.914 0.048 0.000 2.769 212 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 212 V C 0.243 176.269 176.094 -0.112 0.000 1.061 212 V CA -0.720 61.545 62.300 -0.058 0.000 0.931 212 V CB 1.758 33.506 31.823 -0.125 0.000 1.010 212 V HN 0.616 nan 8.190 nan 0.000 0.433 213 G N 2.082 110.794 108.800 -0.147 0.000 2.642 213 G HA2 0.793 4.753 3.960 -0.000 0.000 0.291 213 G HA3 0.793 4.753 3.960 -0.000 0.000 0.291 213 G C -2.792 171.948 174.900 -0.266 0.000 1.345 213 G CA -1.683 43.314 45.100 -0.171 0.000 1.043 213 G HN 0.732 nan 8.290 nan 0.000 0.528 214 P HA 0.262 nan 4.420 nan 0.000 0.276 214 P C -2.190 174.817 177.300 -0.488 0.000 1.261 214 P CA -1.352 61.534 63.100 -0.357 0.000 0.800 214 P CB 1.613 33.173 31.700 -0.233 0.000 1.066 215 P HA -0.118 nan 4.420 nan 0.000 0.217 215 P C 1.289 178.240 177.300 -0.581 0.000 1.150 215 P CA 1.666 64.227 63.100 -0.899 0.000 0.832 215 P CB -0.552 30.406 31.700 -1.237 0.000 0.787 216 G N -0.062 108.601 108.800 -0.229 0.000 2.730 216 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.531 216 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.531 216 G C 0.518 175.477 174.900 0.100 0.000 1.112 216 G CA 1.071 46.165 45.100 -0.009 0.000 0.868 216 G HN 0.334 nan 8.290 nan 0.000 0.740 223 V N 1.487 121.144 119.914 -0.429 0.000 2.532 223 V HA 0.630 4.750 4.120 -0.000 0.000 0.295 223 V C -2.049 174.132 176.094 0.146 0.000 1.041 223 V CA -1.910 60.215 62.300 -0.292 0.000 0.926 223 V CB 0.962 32.392 31.823 -0.655 0.000 0.992 223 V HN 0.269 nan 8.190 nan 0.000 0.457 224 P HA 0.260 nan 4.420 nan 0.000 0.272 224 P C -0.245 177.012 177.300 -0.072 0.000 1.240 224 P CA -0.484 62.745 63.100 0.215 0.000 0.791 224 P CB 0.830 32.594 31.700 0.106 0.000 0.978 225 L N 1.813 122.821 121.223 -0.359 0.000 2.382 225 L HA 0.095 4.435 4.340 -0.000 0.000 0.259 225 L C 1.036 177.670 176.870 -0.394 0.000 1.291 225 L CA 0.403 54.738 54.840 -0.842 0.000 1.176 225 L CB -1.052 40.219 42.059 -1.314 0.000 1.373 225 L HN 0.566 nan 8.230 nan 0.000 0.426 226 T N -2.892 111.573 114.554 -0.149 0.000 3.130 226 T HA 0.265 4.615 4.350 -0.000 0.000 0.288 226 T C 0.587 175.383 174.700 0.159 0.000 0.936 226 T CA -0.515 61.646 62.100 0.101 0.000 0.897 226 T CB 0.353 69.246 68.868 0.041 0.000 1.178 226 T HN 0.283 nan 8.240 nan 0.000 0.543 227 R N 1.242 121.831 120.500 0.149 0.000 2.854 227 R HA 0.744 5.084 4.340 -0.000 0.000 0.271 227 R C -0.423 176.029 176.300 0.252 0.000 0.996 227 R CA -1.030 55.157 56.100 0.144 0.000 0.961 227 R CB 2.158 32.481 30.300 0.038 0.000 1.182 227 R HN 0.183 nan 8.270 nan 0.000 0.479 228 V N -0.822 119.192 119.914 0.167 0.000 2.881 228 V HA 0.190 4.310 4.120 -0.000 0.000 0.303 228 V C -1.879 174.300 176.094 0.142 0.000 1.070 228 V CA -1.533 60.858 62.300 0.152 0.000 1.074 228 V CB 0.892 32.758 31.823 0.072 0.000 1.012 228 V HN 0.579 nan 8.190 nan 0.000 0.482 229 P HA -0.176 nan 4.420 nan 0.000 0.217 229 P C 1.895 179.255 177.300 0.100 0.000 1.151 229 P CA 2.259 65.435 63.100 0.126 0.000 0.849 229 P CB -0.037 31.727 31.700 0.106 0.000 0.787 230 S N -1.156 114.594 115.700 0.083 0.000 2.453 230 S HA -0.054 4.415 4.470 -0.000 0.000 0.231 230 S C 1.742 176.408 174.600 0.109 0.000 1.005 230 S CA 0.587 58.833 58.200 0.077 0.000 0.949 230 S CB -0.712 62.521 63.200 0.054 0.000 0.774 230 S HN 0.146 nan 8.310 nan 0.000 0.510 231 R N -0.031 120.532 120.500 0.104 0.000 2.317 231 R HA 0.332 4.672 4.340 -0.000 0.000 0.208 231 R C 1.026 177.387 176.300 0.101 0.000 0.914 231 R CA 0.020 56.182 56.100 0.103 0.000 1.060 231 R CB -0.056 30.288 30.300 0.073 0.000 1.015 231 R HN 0.411 nan 8.270 nan 0.000 0.498 232 M N 0.100 119.772 119.600 0.120 0.000 2.556 232 M HA 0.090 4.570 4.480 -0.000 0.000 0.245 232 M C -0.235 176.194 176.300 0.216 0.000 1.128 232 M CA 0.458 55.849 55.300 0.151 0.000 1.069 232 M CB 0.027 32.714 32.600 0.144 0.000 1.469 232 M HN -0.055 nan 8.290 nan 0.000 0.494 233 L N 1.089 122.433 121.223 0.201 0.000 2.283 233 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 233 L C -0.425 176.616 176.870 0.285 0.000 1.033 233 L CA -0.554 54.434 54.840 0.248 0.000 0.848 233 L CB 0.881 43.110 42.059 0.283 0.000 1.226 233 L HN -0.220 nan 8.230 nan 0.000 0.429 234 V N 4.734 124.738 119.914 0.149 0.000 2.398 234 V HA 0.428 4.548 4.120 -0.000 0.000 0.286 234 V C -0.009 175.966 176.094 -0.200 0.000 1.026 234 V CA -0.751 61.561 62.300 0.020 0.000 0.868 234 V CB 2.104 33.973 31.823 0.077 0.000 0.982 234 V HN 0.525 nan 8.190 nan 0.000 0.443 235 L N 5.912 126.864 121.223 -0.452 0.000 2.264 235 L HA 0.688 5.028 4.340 -0.000 0.000 0.289 235 L C 0.275 176.940 176.870 -0.341 0.000 1.044 235 L CA 0.144 54.606 54.840 -0.628 0.000 0.807 235 L CB 1.405 42.730 42.059 -1.223 0.000 1.192 235 L HN 0.868 nan 8.230 nan 0.000 0.425 236 T N 1.815 116.227 114.554 -0.237 0.000 2.786 236 T HA 0.873 5.223 4.350 -0.000 0.000 0.283 236 T C 0.169 174.791 174.700 -0.129 0.000 0.992 236 T CA -0.029 61.983 62.100 -0.148 0.000 0.954 236 T CB 1.497 70.309 68.868 -0.093 0.000 0.934 236 T HN 1.199 nan 8.240 nan 0.000 0.440 237 G N 2.518 111.253 108.800 -0.110 0.000 2.384 237 G HA2 0.082 4.042 3.960 -0.000 0.000 0.204 237 G HA3 0.082 4.042 3.960 -0.000 0.000 0.204 237 G C -1.466 173.382 174.900 -0.087 0.000 1.237 237 G CA -0.496 44.553 45.100 -0.084 0.000 1.060 237 G HN 0.961 nan 8.290 nan 0.000 0.514 238 D N -0.024 120.337 120.400 -0.064 0.000 2.249 238 D HA 0.582 5.222 4.640 -0.000 0.000 0.246 238 D C 0.824 177.094 176.300 -0.050 0.000 1.114 238 D CA 0.777 54.746 54.000 -0.051 0.000 0.854 238 D CB 1.125 41.906 40.800 -0.031 0.000 1.132 238 D HN 1.397 nan 8.370 nan 0.000 0.461 239 V N 2.084 121.969 119.914 -0.047 0.000 2.071 239 V HA 0.504 4.624 4.120 -0.000 0.000 0.254 239 V C 0.751 176.851 176.094 0.010 0.000 1.456 239 V CA 1.329 63.616 62.300 -0.022 0.000 1.383 239 V CB -0.267 31.550 31.823 -0.010 0.000 1.433 239 V HN 0.772 nan 8.190 nan 0.000 0.499 240 D N 2.069 122.472 120.400 0.005 0.000 2.410 240 D HA 0.323 4.963 4.640 -0.000 0.000 0.218 240 D C 1.400 177.705 176.300 0.009 0.000 1.359 240 D CA 0.617 54.624 54.000 0.011 0.000 1.348 240 D CB 0.117 40.921 40.800 0.007 0.000 1.797 240 D HN 1.003 nan 8.370 nan 0.000 0.409 241 G N 0.316 109.116 108.800 0.001 0.000 3.939 241 G HA2 0.536 4.496 3.960 -0.000 0.000 0.268 241 G HA3 0.536 4.496 3.960 -0.000 0.000 0.268 241 G C 0.380 175.279 174.900 -0.003 0.000 1.172 241 G CA 1.522 46.622 45.100 -0.000 0.000 1.614 241 G HN 1.460 nan 8.290 nan 0.000 0.639 242 D N -2.297 118.105 120.400 0.002 0.000 4.621 242 D HA 0.322 4.962 4.640 -0.000 0.000 0.241 242 D C -0.015 176.276 176.300 -0.015 0.000 1.065 242 D CA 0.376 54.377 54.000 0.001 0.000 1.247 242 D CB -2.112 38.690 40.800 0.003 0.000 0.793 242 D HN 1.589 nan 8.370 nan 0.000 0.391 243 F N -0.743 119.191 119.950 -0.026 0.000 2.377 243 F HA 0.936 5.463 4.527 -0.000 0.000 0.328 243 F C 0.893 176.653 175.800 -0.067 0.000 1.094 243 F CA 0.060 58.022 58.000 -0.063 0.000 1.093 243 F CB 0.473 39.406 39.000 -0.111 0.000 1.214 243 F HN 1.511 nan 8.300 nan 0.000 0.518 244 E N 0.950 121.102 120.200 -0.081 0.000 2.290 244 E HA 0.533 4.883 4.350 -0.000 0.000 0.277 244 E C -0.778 175.753 176.600 -0.114 0.000 1.035 244 E CA -0.333 56.022 56.400 -0.075 0.000 0.873 244 E CB 0.833 30.496 29.700 -0.063 0.000 1.029 244 E HN 1.119 nan 8.360 nan 0.000 0.419 245 V N 2.133 121.998 119.914 -0.083 0.000 2.370 245 V HA 0.673 4.793 4.120 -0.000 0.000 0.283 245 V C 0.545 176.586 176.094 -0.088 0.000 1.023 245 V CA -0.341 61.908 62.300 -0.085 0.000 0.857 245 V CB 1.054 32.902 31.823 0.040 0.000 0.985 245 V HN 0.965 nan 8.190 nan 0.000 0.443 246 E N 2.590 122.714 120.200 -0.126 0.000 2.146 246 E HA 0.383 4.733 4.350 -0.000 0.000 0.282 246 E C -0.610 175.803 176.600 -0.313 0.000 0.989 246 E CA -0.671 55.569 56.400 -0.268 0.000 0.799 246 E CB 1.205 30.743 29.700 -0.270 0.000 1.088 246 E HN 0.736 nan 8.360 nan 0.000 0.397 247 D N 1.990 122.159 120.400 -0.386 0.000 2.427 247 D HA 0.264 4.904 4.640 -0.000 0.000 0.226 247 D C -0.679 175.382 176.300 -0.399 0.000 1.076 247 D CA -0.300 53.557 54.000 -0.238 0.000 0.849 247 D CB 0.630 41.385 40.800 -0.074 0.000 1.052 247 D HN 0.553 nan 8.370 nan 0.000 0.515 248 Y N 2.111 122.328 120.300 -0.138 0.000 2.467 248 Y HA 0.266 4.816 4.550 -0.000 0.000 0.250 248 Y C 0.865 176.838 175.900 0.122 0.000 1.155 248 Y CA -0.234 57.676 58.100 -0.318 0.000 1.249 248 Y CB 0.478 38.578 38.460 -0.600 0.000 1.146 248 Y HN 0.235 nan 8.280 nan 0.000 0.524 249 L N 3.611 124.965 121.223 0.218 0.000 2.426 249 L HA 0.196 4.536 4.340 -0.000 0.000 0.271 249 L C -1.889 175.047 176.870 0.110 0.000 1.169 249 L CA -1.941 53.011 54.840 0.187 0.000 0.836 249 L CB 0.429 42.543 42.059 0.092 0.000 1.112 249 L HN -0.068 nan 8.230 nan 0.000 0.465 250 P HA 0.084 nan 4.420 nan 0.000 0.272 250 P C -1.104 175.872 177.300 -0.541 0.000 1.230 250 P CA -0.563 62.198 63.100 -0.565 0.000 0.788 250 P CB 0.798 32.305 31.700 -0.321 0.000 0.949 251 K N 1.882 121.777 120.400 -0.841 0.000 2.258 251 K HA 0.355 4.675 4.320 -0.000 0.000 0.284 251 K C 0.034 176.481 176.600 -0.256 0.000 1.051 251 K CA -0.441 55.605 56.287 -0.402 0.000 0.923 251 K CB -0.519 31.801 32.500 -0.300 0.000 1.046 251 K HN 0.427 nan 8.250 nan 0.000 0.474 252 I N 0.116 120.608 120.570 -0.132 0.000 2.607 252 I HA 0.493 4.663 4.170 -0.000 0.000 0.305 252 I C -0.051 176.018 176.117 -0.081 0.000 0.995 252 I CA -1.075 60.179 61.300 -0.077 0.000 1.148 252 I CB 1.595 39.562 38.000 -0.055 0.000 1.323 252 I HN 0.349 nan 8.210 nan 0.000 0.461 253 N N 4.078 122.724 118.700 -0.090 0.000 2.399 253 N HA 0.212 4.952 4.740 -0.000 0.000 0.259 253 N C 0.488 175.946 175.510 -0.086 0.000 1.160 253 N CA -0.010 52.992 53.050 -0.080 0.000 0.946 253 N CB 0.634 39.072 38.487 -0.083 0.000 1.156 253 N HN 0.760 nan 8.380 nan 0.000 0.489 254 L N 2.851 124.036 121.223 -0.064 0.000 2.275 254 L HA -0.059 4.281 4.340 -0.000 0.000 0.215 254 L C 1.729 178.567 176.870 -0.053 0.000 1.119 254 L CA 0.922 55.727 54.840 -0.058 0.000 0.790 254 L CB -0.052 41.980 42.059 -0.044 0.000 0.919 254 L HN 0.478 nan 8.230 nan 0.000 0.443 255 K N -0.276 120.094 120.400 -0.049 0.000 2.356 255 K HA 0.045 4.365 4.320 -0.000 0.000 0.195 255 K C 1.107 177.670 176.600 -0.061 0.000 1.037 255 K CA 0.104 56.368 56.287 -0.038 0.000 1.014 255 K CB 0.277 32.767 32.500 -0.017 0.000 0.815 255 K HN 0.295 nan 8.250 nan 0.000 0.507 256 S N 0.421 116.062 115.700 -0.098 0.000 2.600 256 S HA 0.152 4.622 4.470 -0.000 0.000 0.265 256 S C 0.271 174.786 174.600 -0.142 0.000 1.325 256 S CA -0.886 57.222 58.200 -0.153 0.000 1.002 256 S CB 1.293 64.379 63.200 -0.188 0.000 0.921 256 S HN -0.036 nan 8.310 nan 0.000 0.554 257 S N 1.588 117.179 115.700 -0.181 0.000 2.552 257 S HA 0.070 4.540 4.470 -0.000 0.000 0.289 257 S C 1.349 175.881 174.600 -0.114 0.000 1.304 257 S CA -0.284 57.838 58.200 -0.130 0.000 1.063 257 S CB 0.945 64.045 63.200 -0.167 0.000 0.848 257 S HN 0.830 nan 8.310 nan 0.000 0.499 258 S N 2.796 118.464 115.700 -0.054 0.000 2.423 258 S HA 0.166 4.636 4.470 -0.000 0.000 0.231 258 S C 1.152 175.746 174.600 -0.010 0.000 1.014 258 S CA 1.141 59.334 58.200 -0.011 0.000 0.965 258 S CB -0.963 62.273 63.200 0.059 0.000 0.785 258 S HN 1.377 nan 8.310 nan 0.000 0.495 259 G N 0.184 108.947 108.800 -0.062 0.000 2.741 259 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.222 259 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.222 259 G C -0.578 174.279 174.900 -0.073 0.000 1.364 259 G CA -0.360 44.668 45.100 -0.121 0.000 0.866 259 G HN 0.541 nan 8.290 nan 0.000 0.555 260 L N 1.488 122.634 121.223 -0.127 0.000 2.461 260 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 260 L C -1.001 175.776 176.870 -0.154 0.000 1.197 260 L CA -0.992 53.748 54.840 -0.165 0.000 0.836 260 L CB 0.858 42.805 42.059 -0.187 0.000 1.105 260 L HN 0.494 nan 8.230 nan 0.000 0.477 261 P HA 0.085 nan 4.420 nan 0.000 0.243 261 P C -0.983 175.886 177.300 -0.718 0.000 1.672 261 P CA 0.154 62.816 63.100 -0.729 0.000 1.000 261 P CB -0.101 30.951 31.700 -1.080 0.000 1.562 262 Y N -0.859 119.415 120.300 -0.044 0.000 2.658 262 Y HA 0.224 4.774 4.550 -0.000 0.000 0.362 262 Y C 0.493 176.390 175.900 -0.004 0.000 1.017 262 Y CA -1.220 56.871 58.100 -0.015 0.000 1.134 262 Y CB 0.601 39.048 38.460 -0.022 0.000 1.144 262 Y HN -0.299 nan 8.280 nan 0.000 0.655 263 V N 1.418 121.400 119.914 0.114 0.000 2.585 263 V HA 0.354 4.474 4.120 -0.000 0.000 0.296 263 V C 1.220 177.403 176.094 0.147 0.000 1.035 263 V CA 1.117 63.490 62.300 0.122 0.000 1.084 263 V CB 0.650 32.573 31.823 0.167 0.000 0.953 263 V HN 0.984 nan 8.190 nan 0.000 0.483 264 G N 4.354 113.246 108.800 0.153 0.000 2.176 264 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.253 264 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.253 264 G C 0.224 175.180 174.900 0.093 0.000 0.979 264 G CA 0.045 45.226 45.100 0.135 0.000 0.641 264 G HN 0.615 nan 8.290 nan 0.000 0.530 265 R N 0.397 120.948 120.500 0.085 0.000 2.778 265 R HA 0.650 4.990 4.340 -0.000 0.000 0.277 265 R C 0.504 176.814 176.300 0.017 0.000 0.977 265 R CA -0.021 56.105 56.100 0.044 0.000 0.950 265 R CB 1.359 31.680 30.300 0.036 0.000 1.165 265 R HN 0.331 nan 8.270 nan 0.000 0.474 266 T N -1.735 112.812 114.554 -0.012 0.000 2.902 266 T HA 0.233 4.583 4.350 -0.000 0.000 0.280 266 T C 1.025 175.692 174.700 -0.055 0.000 0.992 266 T CA -0.880 61.200 62.100 -0.033 0.000 1.015 266 T CB 1.424 70.274 68.868 -0.030 0.000 1.044 266 T HN 0.432 nan 8.240 nan 0.000 0.520 267 K N 0.801 121.161 120.400 -0.067 0.000 2.097 267 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 267 K C 2.452 179.009 176.600 -0.073 0.000 1.049 267 K CA 1.331 57.574 56.287 -0.072 0.000 0.933 267 K CB -0.751 31.696 32.500 -0.088 0.000 0.717 267 K HN 0.828 nan 8.250 nan 0.000 0.442 268 G N 2.304 111.065 108.800 -0.065 0.000 2.448 268 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 268 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 268 G C 1.153 176.013 174.900 -0.067 0.000 1.127 268 G CA 0.722 45.787 45.100 -0.059 0.000 0.766 268 G HN 0.540 nan 8.290 nan 0.000 0.552 269 E N -0.009 120.144 120.200 -0.077 0.000 2.463 269 E HA 0.035 4.385 4.350 -0.000 0.000 0.193 269 E C 0.988 177.496 176.600 -0.154 0.000 1.041 269 E CA 0.761 57.105 56.400 -0.094 0.000 0.879 269 E CB 0.018 29.674 29.700 -0.074 0.000 0.997 269 E HN 0.355 nan 8.360 nan 0.000 0.478 270 T N -2.201 112.250 114.554 -0.171 0.000 3.393 270 T HA 0.344 4.694 4.350 -0.000 0.000 0.298 270 T C 1.291 175.894 174.700 -0.161 0.000 1.004 270 T CA -0.448 61.493 62.100 -0.265 0.000 0.956 270 T CB -0.509 68.119 68.868 -0.400 0.000 1.182 270 T HN 0.051 nan 8.240 nan 0.000 0.497 271 I N 1.626 122.131 120.570 -0.108 0.000 2.142 271 I HA 0.001 4.171 4.170 -0.000 0.000 0.240 271 I C 2.898 178.981 176.117 -0.057 0.000 1.078 271 I CA 1.789 63.048 61.300 -0.068 0.000 1.343 271 I CB -0.574 37.390 38.000 -0.061 0.000 1.046 271 I HN 0.505 nan 8.210 nan 0.000 0.405 272 G N 0.129 108.886 108.800 -0.071 0.000 2.422 272 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 272 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 272 G C 1.489 176.370 174.900 -0.032 0.000 1.146 272 G CA 0.730 45.798 45.100 -0.055 0.000 0.769 272 G HN 0.329 nan 8.290 nan 0.000 0.547 273 E N 0.242 120.404 120.200 -0.063 0.000 2.051 273 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 273 E C 2.611 179.258 176.600 0.079 0.000 0.991 273 E CA 1.499 57.890 56.400 -0.015 0.000 0.799 273 E CB -0.366 29.204 29.700 -0.216 0.000 0.748 273 E HN 0.694 nan 8.360 nan 0.000 0.449 274 M N -0.630 119.000 119.600 0.051 0.000 2.296 274 M HA -0.046 4.434 4.480 -0.000 0.000 0.265 274 M C 1.812 178.153 176.300 0.068 0.000 1.064 274 M CA 1.584 56.938 55.300 0.090 0.000 1.109 274 M CB -0.213 32.425 32.600 0.064 0.000 1.396 274 M HN 0.005 nan 8.290 nan 0.000 0.430 275 I N 1.268 121.864 120.570 0.044 0.000 2.333 275 I HA -0.101 4.069 4.170 -0.000 0.000 0.246 275 I C 2.973 179.118 176.117 0.046 0.000 1.106 275 I CA 0.974 62.298 61.300 0.040 0.000 1.411 275 I CB -0.594 37.420 38.000 0.023 0.000 1.082 275 I HN 0.435 nan 8.210 nan 0.000 0.420 276 A N 1.196 124.046 122.820 0.050 0.000 1.877 276 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 276 A C 2.282 179.918 177.584 0.088 0.000 1.186 276 A CA 1.595 53.666 52.037 0.057 0.000 0.620 276 A CB -0.831 18.202 19.000 0.055 0.000 0.822 276 A HN 0.374 nan 8.150 nan 0.000 0.443 277 I N -0.376 120.270 120.570 0.127 0.000 2.252 277 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 277 I C 2.662 178.845 176.117 0.108 0.000 1.102 277 I CA 1.345 62.755 61.300 0.183 0.000 1.385 277 I CB -0.306 37.845 38.000 0.251 0.000 1.064 277 I HN 0.212 nan 8.210 nan 0.000 0.414 278 S N 0.925 116.652 115.700 0.045 0.000 2.370 278 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 278 S C 1.763 176.354 174.600 -0.015 0.000 1.033 278 S CA 1.434 59.620 58.200 -0.023 0.000 1.011 278 S CB -0.427 62.763 63.200 -0.017 0.000 0.852 278 S HN 0.424 nan 8.310 nan 0.000 0.457 279 N N 1.391 120.101 118.700 0.016 0.000 2.043 279 N HA -0.096 4.644 4.740 -0.000 0.000 0.193 279 N C 1.884 177.390 175.510 -0.007 0.000 1.037 279 N CA 1.084 54.139 53.050 0.007 0.000 0.851 279 N CB -0.508 37.993 38.487 0.024 0.000 1.027 279 N HN 0.273 nan 8.380 nan 0.000 0.422 280 Q N -0.214 119.608 119.800 0.037 0.000 2.050 280 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 280 Q C 2.027 178.020 176.000 -0.012 0.000 0.980 280 Q CA 0.878 56.716 55.803 0.058 0.000 0.840 280 Q CB -0.618 28.220 28.738 0.166 0.000 0.898 280 Q HN 0.412 nan 8.270 nan 0.000 0.424 281 F N 0.875 120.662 119.950 -0.273 0.000 2.095 281 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 281 F C 2.016 177.569 175.800 -0.413 0.000 1.104 281 F CA 1.254 58.900 58.000 -0.591 0.000 1.232 281 F CB -0.193 38.335 39.000 -0.788 0.000 0.987 281 F HN 0.002 nan 8.300 nan 0.000 0.475 282 L N -0.431 120.623 121.223 -0.282 0.000 2.156 282 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 282 L C 2.578 179.264 176.870 -0.307 0.000 1.095 282 L CA 1.025 55.631 54.840 -0.390 0.000 0.770 282 L CB -0.526 41.309 42.059 -0.372 0.000 0.914 282 L HN 0.017 nan 8.230 nan 0.000 0.439 283 R N -0.042 120.339 120.500 -0.198 0.000 2.075 283 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 283 R C 2.185 178.394 176.300 -0.152 0.000 1.126 283 R CA 1.245 57.264 56.100 -0.135 0.000 0.963 283 R CB -0.129 30.128 30.300 -0.071 0.000 0.858 283 R HN 0.378 nan 8.270 nan 0.000 0.435 284 E N 0.373 120.464 120.200 -0.182 0.000 2.106 284 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 284 E C 1.852 178.306 176.600 -0.245 0.000 0.984 284 E CA 0.835 57.133 56.400 -0.170 0.000 0.806 284 E CB -0.028 29.601 29.700 -0.118 0.000 0.750 284 E HN 0.102 nan 8.360 nan 0.000 0.458 285 L N 0.780 121.764 121.223 -0.398 0.000 2.056 285 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 285 L C 2.124 178.853 176.870 -0.235 0.000 1.078 285 L CA 1.672 56.279 54.840 -0.388 0.000 0.749 285 L CB -0.348 41.371 42.059 -0.566 0.000 0.901 285 L HN -0.093 nan 8.230 nan 0.000 0.433 286 S N -1.078 114.495 115.700 -0.212 0.000 2.382 286 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 286 S C 1.797 176.339 174.600 -0.095 0.000 1.027 286 S CA 1.688 59.808 58.200 -0.133 0.000 0.991 286 S CB -0.606 62.527 63.200 -0.112 0.000 0.823 286 S HN 0.583 nan 8.310 nan 0.000 0.469 287 T N 2.908 117.403 114.554 -0.098 0.000 2.708 287 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 287 T C 1.765 176.427 174.700 -0.063 0.000 1.037 287 T CA 0.966 63.024 62.100 -0.069 0.000 1.146 287 T CB -0.465 68.366 68.868 -0.062 0.000 0.865 287 T HN 0.239 nan 8.240 nan 0.000 0.435 288 L N 0.465 121.639 121.223 -0.082 0.000 2.079 288 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 288 L C 2.348 179.185 176.870 -0.054 0.000 1.081 288 L CA 1.157 55.956 54.840 -0.068 0.000 0.752 288 L CB -0.521 41.485 42.059 -0.087 0.000 0.896 288 L HN 0.276 nan 8.230 nan 0.000 0.433 289 L N -1.100 120.086 121.223 -0.061 0.000 2.240 289 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 289 L C 2.603 179.455 176.870 -0.030 0.000 1.106 289 L CA 0.498 55.313 54.840 -0.042 0.000 0.793 289 L CB -0.462 41.571 42.059 -0.043 0.000 0.927 289 L HN 0.170 nan 8.230 nan 0.000 0.446 290 K N 0.577 120.957 120.400 -0.034 0.000 2.062 290 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 290 K C 2.043 178.631 176.600 -0.021 0.000 1.051 290 K CA 1.334 57.605 56.287 -0.025 0.000 0.941 290 K CB 0.048 32.531 32.500 -0.027 0.000 0.719 290 K HN 0.389 nan 8.250 nan 0.000 0.440 291 Q N -0.498 119.288 119.800 -0.024 0.000 2.119 291 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 291 Q C 0.938 176.928 176.000 -0.016 0.000 0.972 291 Q CA 0.848 56.639 55.803 -0.019 0.000 0.847 291 Q CB -0.035 28.691 28.738 -0.020 0.000 0.903 291 Q HN 0.457 nan 8.270 nan 0.000 0.433 292 G N -0.287 108.502 108.800 -0.018 0.000 2.632 292 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.224 292 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.224 292 G C 0.465 175.357 174.900 -0.012 0.000 1.341 292 G CA -0.111 44.981 45.100 -0.013 0.000 0.880 292 G HN 0.392 nan 8.290 nan 0.000 0.566 293 A N -0.665 122.149 122.820 -0.009 0.000 1.969 293 A HA 0.555 4.875 4.320 -0.000 0.000 0.218 293 A C 2.527 180.106 177.584 -0.009 0.000 1.169 293 A CA 2.520 54.552 52.037 -0.008 0.000 0.635 293 A CB -0.903 18.093 19.000 -0.006 0.000 0.810 293 A HN 3.014 nan 8.150 nan 0.000 0.445 294 G N -1.641 107.154 108.800 -0.008 0.000 2.746 294 G HA2 0.102 4.062 3.960 -0.000 0.000 0.685 294 G HA3 0.102 4.062 3.960 -0.000 0.000 0.685 294 G C -0.006 174.890 174.900 -0.007 0.000 1.350 294 G CA -0.165 44.930 45.100 -0.008 0.000 0.837 294 G HN 1.489 nan 8.290 nan 0.000 0.564 295 T N -0.864 113.686 114.554 -0.006 0.000 2.853 295 T HA 0.469 4.819 4.350 -0.000 0.000 0.298 295 T C 0.923 175.619 174.700 -0.006 0.000 0.978 295 T CA 0.876 62.972 62.100 -0.006 0.000 1.152 295 T CB 1.101 69.966 68.868 -0.005 0.000 0.914 295 T HN 1.418 nan 8.240 nan 0.000 0.539 296 K N 1.689 122.085 120.400 -0.006 0.000 3.274 296 K HA -0.216 4.104 4.320 -0.000 0.000 0.300 296 K C 0.961 177.555 176.600 -0.009 0.000 1.230 296 K CA 0.809 57.092 56.287 -0.007 0.000 0.884 296 K CB -1.780 30.716 32.500 -0.007 0.000 1.242 296 K HN 1.683 nan 8.250 nan 0.000 0.467 297 G N 0.397 109.192 108.800 -0.008 0.000 2.272 297 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.280 297 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.280 297 G C 0.584 175.478 174.900 -0.010 0.000 1.067 297 G CA 0.910 46.004 45.100 -0.010 0.000 0.902 297 G HN 0.688 nan 8.290 nan 0.000 0.500 298 S N -1.323 114.372 115.700 -0.008 0.000 2.515 298 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 298 S C 1.447 176.042 174.600 -0.007 0.000 0.987 298 S CA 1.170 59.366 58.200 -0.008 0.000 0.936 298 S CB -0.142 63.054 63.200 -0.007 0.000 0.766 298 S HN 0.656 nan 8.310 nan 0.000 0.528 299 N N 0.916 119.611 118.700 -0.008 0.000 2.336 299 N HA 0.168 4.908 4.740 -0.000 0.000 0.189 299 N C 1.352 176.857 175.510 -0.008 0.000 1.113 299 N CA -0.002 53.043 53.050 -0.009 0.000 0.858 299 N CB 0.043 38.523 38.487 -0.011 0.000 0.970 299 N HN 0.278 nan 8.380 nan 0.000 0.471 300 K N 2.044 122.439 120.400 -0.008 0.000 2.063 300 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 300 K C 1.506 178.104 176.600 -0.003 0.000 1.048 300 K CA 1.439 57.722 56.287 -0.007 0.000 0.928 300 K CB 0.136 32.630 32.500 -0.011 0.000 0.713 300 K HN 0.018 nan 8.250 nan 0.000 0.442 301 K N 0.131 120.530 120.400 -0.002 0.000 2.211 301 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 301 K C 1.966 178.570 176.600 0.007 0.000 1.050 301 K CA 1.172 57.460 56.287 0.002 0.000 0.945 301 K CB 0.004 32.505 32.500 0.001 0.000 0.732 301 K HN 0.120 nan 8.250 nan 0.000 0.451 302 K N 0.587 120.989 120.400 0.003 0.000 2.148 302 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 302 K C 2.044 178.648 176.600 0.007 0.000 1.050 302 K CA 0.768 57.057 56.287 0.003 0.000 0.942 302 K CB -0.069 32.428 32.500 -0.005 0.000 0.724 302 K HN 0.044 nan 8.250 nan 0.000 0.446 303 L N 1.310 122.535 121.223 0.003 0.000 2.072 303 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 303 L C 1.850 178.739 176.870 0.031 0.000 1.079 303 L CA 1.427 56.270 54.840 0.006 0.000 0.752 303 L CB -0.297 41.761 42.059 -0.001 0.000 0.906 303 L HN 0.076 nan 8.230 nan 0.000 0.436 304 L N -1.198 120.042 121.223 0.029 0.000 2.083 304 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 304 L C 2.693 179.596 176.870 0.055 0.000 1.083 304 L CA 1.396 56.261 54.840 0.041 0.000 0.752 304 L CB -0.876 41.199 42.059 0.026 0.000 0.899 304 L HN 0.356 nan 8.230 nan 0.000 0.433 305 S N -0.290 115.437 115.700 0.045 0.000 2.368 305 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 305 S C 2.036 176.682 174.600 0.075 0.000 1.029 305 S CA 1.250 59.479 58.200 0.049 0.000 0.988 305 S CB -0.111 63.108 63.200 0.031 0.000 0.838 305 S HN 0.323 nan 8.310 nan 0.000 0.462 306 M N 0.544 120.197 119.600 0.088 0.000 2.099 306 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 306 M C 1.948 178.403 176.300 0.259 0.000 1.067 306 M CA 1.493 56.888 55.300 0.158 0.000 1.124 306 M CB -0.450 32.215 32.600 0.108 0.000 1.353 306 M HN 0.384 nan 8.290 nan 0.000 0.410 307 L N -0.401 120.941 121.223 0.198 0.000 2.083 307 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 307 L C 2.391 179.406 176.870 0.242 0.000 1.083 307 L CA 1.167 56.149 54.840 0.236 0.000 0.752 307 L CB -0.529 41.626 42.059 0.160 0.000 0.899 307 L HN 0.300 nan 8.230 nan 0.000 0.433 308 S N -0.630 115.184 115.700 0.190 0.000 2.402 308 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 308 S C 1.551 176.322 174.600 0.284 0.000 1.021 308 S CA 1.393 59.717 58.200 0.206 0.000 0.974 308 S CB -0.271 62.999 63.200 0.117 0.000 0.800 308 S HN 0.503 nan 8.310 nan 0.000 0.484 309 D N 0.506 121.013 120.400 0.179 0.000 2.144 309 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 309 D C 0.582 176.859 176.300 -0.038 0.000 0.978 309 D CA 0.995 55.033 54.000 0.064 0.000 0.833 309 D CB -0.147 40.593 40.800 -0.099 0.000 0.961 309 D HN 0.502 nan 8.370 nan 0.000 0.470 310 Y N 0.692 121.044 120.300 0.088 0.000 2.746 310 Y HA 0.169 4.719 4.550 -0.000 0.000 0.312 310 Y C 1.139 176.849 175.900 -0.316 0.000 1.117 310 Y CA -0.809 57.146 58.100 -0.241 0.000 1.324 310 Y CB -0.406 38.021 38.460 -0.055 0.000 1.173 310 Y HN 0.230 nan 8.280 nan 0.000 0.529 311 W N 0.081 121.386 121.300 0.009 0.000 2.342 311 W HA -0.311 4.349 4.660 -0.000 0.000 0.297 311 W C 1.181 177.703 176.519 0.004 0.000 1.213 311 W CA 1.464 58.828 57.345 0.031 0.000 1.251 311 W CB -1.500 28.002 29.460 0.070 0.000 1.136 311 W HN 0.488 nan 8.180 nan 0.000 0.526 312 Y N 0.367 120.048 120.300 -1.031 0.000 2.403 312 Y HA 0.025 4.575 4.550 -0.000 0.000 0.291 312 Y C 2.289 177.940 175.900 -0.415 0.000 1.143 312 Y CA 1.076 58.498 58.100 -1.129 0.000 1.257 312 Y CB -1.436 36.201 38.460 -1.370 0.000 0.984 312 Y HN -0.108 nan 8.280 nan 0.000 0.550 313 L N 0.796 121.633 121.223 -0.643 0.000 2.456 313 L HA -0.086 4.254 4.340 -0.000 0.000 0.224 313 L C 1.953 178.776 176.870 -0.078 0.000 1.148 313 L CA 1.306 55.928 54.840 -0.363 0.000 0.825 313 L CB -0.461 41.301 42.059 -0.494 0.000 0.937 313 L HN 0.511 nan 8.230 nan 0.000 0.450 314 S N -2.675 113.036 115.700 0.019 0.000 2.568 314 S HA 0.079 4.549 4.470 -0.000 0.000 0.232 314 S C 0.202 175.004 174.600 0.336 0.000 0.975 314 S CA -0.712 57.614 58.200 0.210 0.000 0.949 314 S CB -0.094 63.217 63.200 0.185 0.000 0.829 314 S HN 0.299 nan 8.310 nan 0.000 0.479 315 C N 2.179 121.575 119.300 0.159 0.000 2.316 315 C HA 0.823 5.283 4.460 -0.000 0.000 0.324 315 C C 0.728 175.523 174.990 -0.324 0.000 1.226 315 C CA -0.287 58.788 59.018 0.095 0.000 1.450 315 C CB -0.082 27.804 27.740 0.243 0.000 2.123 315 C HN 0.629 nan 8.230 nan 0.000 0.454 316 G N 5.430 113.724 108.800 -0.843 0.000 2.389 316 G HA2 0.581 4.541 3.960 -0.000 0.000 0.317 316 G HA3 0.581 4.541 3.960 -0.000 0.000 0.317 316 G C -0.690 173.760 174.900 -0.750 0.000 1.137 316 G CA -0.630 43.628 45.100 -1.403 0.000 0.870 316 G HN 0.890 nan 8.290 nan 0.000 0.496 317 L N 1.139 122.006 121.223 -0.593 0.000 2.367 317 L HA 0.180 4.520 4.340 -0.000 0.000 0.275 317 L C 0.214 176.930 176.870 -0.258 0.000 1.129 317 L CA -0.713 53.826 54.840 -0.501 0.000 0.839 317 L CB 1.097 42.639 42.059 -0.863 0.000 1.133 317 L HN 0.273 nan 8.230 nan 0.000 0.453 318 L N 4.875 126.108 121.223 0.017 0.000 2.404 318 L HA 0.202 4.542 4.340 -0.000 0.000 0.277 318 L C -0.328 176.757 176.870 0.359 0.000 1.184 318 L CA 0.258 55.218 54.840 0.200 0.000 1.013 318 L CB -0.432 41.759 42.059 0.220 0.000 1.318 318 L HN 0.301 nan 8.230 nan 0.000 0.435 319 F N 7.502 127.539 119.950 0.145 0.000 2.467 319 F HA 0.441 4.968 4.527 -0.000 0.000 0.362 319 F C -1.818 174.046 175.800 0.105 0.000 1.090 319 F CA -2.356 55.746 58.000 0.170 0.000 1.202 319 F CB 0.498 39.547 39.000 0.082 0.000 1.113 319 F HN 0.393 nan 8.300 nan 0.000 0.541 320 P HA 0.039 nan 4.420 nan 0.000 0.276 320 P C -1.167 175.869 177.300 -0.439 0.000 1.264 320 P CA -0.290 62.565 63.100 -0.408 0.000 0.769 320 P CB 0.804 32.221 31.700 -0.472 0.000 0.840 321 K N 3.224 123.603 120.400 -0.034 0.000 2.416 321 K HA 0.344 4.664 4.320 -0.000 0.000 0.283 321 K C 0.024 176.639 176.600 0.025 0.000 1.037 321 K CA -0.421 55.937 56.287 0.117 0.000 0.995 321 K CB 0.275 32.885 32.500 0.184 0.000 0.938 321 K HN 0.463 nan 8.250 nan 0.000 0.475 322 A N 5.028 127.823 122.820 -0.041 0.000 2.347 322 A HA 0.228 4.548 4.320 -0.000 0.000 0.287 322 A C -0.563 176.767 177.584 -0.423 0.000 1.199 322 A CA -0.131 51.726 52.037 -0.301 0.000 0.851 322 A CB 0.371 19.166 19.000 -0.341 0.000 1.118 322 A HN 0.759 nan 8.150 nan 0.000 0.525 323 E N 1.156 120.941 120.200 -0.693 0.000 2.433 323 E HA 0.334 4.684 4.350 -0.000 0.000 0.278 323 E C -1.073 175.149 176.600 -0.631 0.000 0.976 323 E CA -0.906 55.094 56.400 -0.667 0.000 0.793 323 E CB 1.448 30.612 29.700 -0.894 0.000 1.311 323 E HN 0.589 nan 8.360 nan 0.000 0.460 324 R N 1.198 121.564 120.500 -0.224 0.000 2.351 324 R HA 0.211 4.551 4.340 -0.000 0.000 0.321 324 R C -0.612 175.564 176.300 -0.208 0.000 1.182 324 R CA 0.240 56.278 56.100 -0.103 0.000 1.011 324 R CB -0.583 29.744 30.300 0.045 0.000 1.048 324 R HN 0.257 nan 8.270 nan 0.000 0.490 325 Y N 0.329 120.657 120.300 0.045 0.000 2.403 325 Y HA 0.171 4.721 4.550 -0.000 0.000 0.323 325 Y C 0.798 176.722 175.900 0.041 0.000 1.226 325 Y CA -0.859 57.283 58.100 0.070 0.000 1.235 325 Y CB 1.013 39.555 38.460 0.136 0.000 1.248 325 Y HN 0.391 nan 8.280 nan 0.000 0.489 326 D N 1.594 122.127 120.400 0.221 0.000 2.390 326 D HA 0.034 4.674 4.640 -0.000 0.000 0.249 326 D C 0.512 176.862 176.300 0.083 0.000 1.144 326 D CA 0.137 54.190 54.000 0.088 0.000 0.880 326 D CB 1.383 42.227 40.800 0.073 0.000 1.182 326 D HN 0.592 nan 8.370 nan 0.000 0.451 327 K N 0.673 120.994 120.400 -0.132 0.000 2.147 327 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 327 K C 2.006 178.612 176.600 0.009 0.000 1.049 327 K CA 1.108 57.209 56.287 -0.309 0.000 0.936 327 K CB 0.041 32.048 32.500 -0.822 0.000 0.722 327 K HN 0.381 nan 8.250 nan 0.000 0.446 328 S N 0.144 115.854 115.700 0.017 0.000 2.447 328 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 328 S C 1.647 176.311 174.600 0.107 0.000 1.006 328 S CA 1.374 59.615 58.200 0.069 0.000 0.957 328 S CB -0.358 62.864 63.200 0.036 0.000 0.773 328 S HN 0.336 nan 8.310 nan 0.000 0.507 329 T N -3.782 110.845 114.554 0.121 0.000 3.215 329 T HA 0.228 4.578 4.350 -0.000 0.000 0.271 329 T C 0.868 175.619 174.700 0.086 0.000 1.012 329 T CA -0.697 61.455 62.100 0.087 0.000 0.899 329 T CB -0.648 68.252 68.868 0.052 0.000 1.089 329 T HN 0.550 nan 8.240 nan 0.000 0.552 330 W N 1.402 122.688 121.300 -0.024 0.000 2.350 330 W HA -0.010 4.650 4.660 -0.000 0.000 0.289 330 W C 0.739 177.191 176.519 -0.112 0.000 1.215 330 W CA 0.632 57.954 57.345 -0.038 0.000 1.236 330 W CB 0.031 29.593 29.460 0.169 0.000 1.130 330 W HN 0.378 nan 8.180 nan 0.000 0.541 331 L N -0.038 121.205 121.223 0.034 0.000 2.585 331 L HA -0.004 4.336 4.340 -0.000 0.000 0.226 331 L C 2.140 178.925 176.870 -0.142 0.000 1.113 331 L CA 1.226 56.011 54.840 -0.091 0.000 0.876 331 L CB -0.367 41.689 42.059 -0.004 0.000 1.072 331 L HN -0.124 nan 8.230 nan 0.000 0.468 332 T N -4.488 110.001 114.554 -0.108 0.000 2.971 332 T HA 0.098 4.448 4.350 -0.000 0.000 0.252 332 T C 0.630 175.264 174.700 -0.110 0.000 1.022 332 T CA -0.199 61.849 62.100 -0.086 0.000 0.980 332 T CB 0.450 69.306 68.868 -0.021 0.000 1.044 332 T HN -0.006 nan 8.240 nan 0.000 0.501 333 K N 1.626 121.915 120.400 -0.185 0.000 2.690 333 K HA 0.421 4.741 4.320 -0.000 0.000 0.243 333 K C -1.691 174.628 176.600 -0.469 0.000 0.982 333 K CA -0.279 55.886 56.287 -0.202 0.000 0.955 333 K CB 1.584 34.038 32.500 -0.078 0.000 1.185 333 K HN 0.060 nan 8.250 nan 0.000 0.467 334 T N 3.874 118.176 114.554 -0.419 0.000 2.847 334 T HA 0.377 4.727 4.350 -0.000 0.000 0.291 334 T C -0.374 174.234 174.700 -0.153 0.000 0.998 334 T CA -0.708 61.065 62.100 -0.545 0.000 0.967 334 T CB 1.070 69.605 68.868 -0.556 0.000 0.954 334 T HN 0.447 nan 8.240 nan 0.000 0.441 335 R N 2.639 123.178 120.500 0.064 0.000 2.643 335 R HA 0.295 4.635 4.340 -0.000 0.000 0.270 335 R C -0.078 176.293 176.300 0.118 0.000 1.061 335 R CA -0.136 56.047 56.100 0.139 0.000 1.107 335 R CB 0.401 30.826 30.300 0.209 0.000 0.999 335 R HN 0.599 nan 8.270 nan 0.000 0.460 336 N N 1.225 120.010 118.700 0.142 0.000 2.370 336 N HA 0.404 5.144 4.740 -0.000 0.000 0.303 336 N C -0.941 174.715 175.510 0.244 0.000 1.103 336 N CA -0.571 52.586 53.050 0.178 0.000 0.848 336 N CB 1.841 40.439 38.487 0.186 0.000 1.235 336 N HN 0.311 nan 8.380 nan 0.000 0.496 337 I N 1.236 121.993 120.570 0.312 0.000 2.382 337 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 337 I C -0.818 175.492 176.117 0.322 0.000 1.002 337 I CA -0.614 60.879 61.300 0.322 0.000 1.135 337 I CB 1.090 39.284 38.000 0.322 0.000 1.288 337 I HN 0.513 nan 8.210 nan 0.000 0.448 338 W N 6.961 128.340 121.300 0.131 0.000 2.666 338 W HA 0.136 4.796 4.660 -0.000 0.000 0.365 338 W C 0.256 176.812 176.519 0.063 0.000 1.224 338 W CA 0.047 57.454 57.345 0.102 0.000 1.515 338 W CB 0.584 30.103 29.460 0.098 0.000 1.562 338 W HN 0.391 nan 8.180 nan 0.000 0.455 339 S N 5.353 120.971 115.700 -0.137 0.000 2.498 339 S HA 0.397 4.867 4.470 -0.000 0.000 0.314 339 S C 0.526 174.914 174.600 -0.354 0.000 1.141 339 S CA -0.540 57.543 58.200 -0.196 0.000 1.087 339 S CB -0.066 62.986 63.200 -0.248 0.000 1.178 339 S HN 0.588 nan 8.310 nan 0.000 0.533 340 A N 5.758 128.510 122.820 -0.113 0.000 2.498 340 A HA 0.404 4.724 4.320 -0.000 0.000 0.239 340 A C -2.270 175.263 177.584 -0.085 0.000 1.068 340 A CA -1.198 50.801 52.037 -0.062 0.000 0.766 340 A CB -0.357 18.863 19.000 0.366 0.000 1.003 340 A HN 0.399 nan 8.150 nan 0.000 0.497 341 P HA 0.076 nan 4.420 nan 0.000 0.266 341 P C 0.836 178.167 177.300 0.052 0.000 1.195 341 P CA 0.175 63.259 63.100 -0.026 0.000 0.768 341 P CB 0.660 32.347 31.700 -0.021 0.000 0.838 342 S N 4.381 120.119 115.700 0.062 0.000 2.374 342 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 342 S C -0.732 173.934 174.600 0.112 0.000 1.037 342 S CA 2.000 60.250 58.200 0.082 0.000 1.024 342 S CB -1.715 61.527 63.200 0.071 0.000 0.861 342 S HN 0.581 nan 8.310 nan 0.000 0.456 343 P HA -0.010 nan 4.420 nan 0.000 0.216 343 P C 1.424 178.725 177.300 0.002 0.000 1.153 343 P CA 1.211 64.328 63.100 0.028 0.000 0.848 343 P CB -0.288 31.404 31.700 -0.013 0.000 0.787 344 T N -1.659 112.905 114.554 0.015 0.000 2.708 344 T HA -0.215 4.134 4.350 -0.000 0.000 0.266 344 T C 1.728 176.533 174.700 0.176 0.000 1.037 344 T CA 1.782 63.928 62.100 0.077 0.000 1.146 344 T CB -1.129 67.791 68.868 0.087 0.000 0.865 344 T HN 0.269 nan 8.240 nan 0.000 0.435 345 H N 0.684 119.815 119.070 0.102 0.000 2.319 345 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 345 H C 2.133 177.529 175.328 0.113 0.000 1.092 345 H CA 1.490 57.606 56.048 0.114 0.000 1.302 345 H CB -0.454 29.357 29.762 0.080 0.000 1.373 345 H HN 0.177 nan 8.280 nan 0.000 0.497 346 L N -0.023 121.316 121.223 0.194 0.000 2.012 346 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 346 L C 2.263 179.209 176.870 0.126 0.000 1.073 346 L CA 1.929 56.852 54.840 0.138 0.000 0.748 346 L CB -0.510 41.621 42.059 0.121 0.000 0.891 346 L HN 0.443 nan 8.230 nan 0.000 0.431 347 M N -1.310 118.364 119.600 0.123 0.000 2.175 347 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 347 M C 2.221 178.759 176.300 0.396 0.000 1.063 347 M CA 1.724 57.126 55.300 0.171 0.000 1.119 347 M CB -0.305 32.131 32.600 -0.273 0.000 1.377 347 M HN 0.277 nan 8.290 nan 0.000 0.415 348 I N -0.682 120.096 120.570 0.347 0.000 2.286 348 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 348 I C 2.356 178.575 176.117 0.170 0.000 1.104 348 I CA 0.946 62.421 61.300 0.291 0.000 1.397 348 I CB -0.295 37.800 38.000 0.158 0.000 1.072 348 I HN 0.186 nan 8.210 nan 0.000 0.417 349 S N 0.565 116.301 115.700 0.060 0.000 2.382 349 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 349 S C 1.998 176.733 174.600 0.225 0.000 1.027 349 S CA 1.308 59.553 58.200 0.075 0.000 0.991 349 S CB -0.230 62.921 63.200 -0.082 0.000 0.823 349 S HN 0.365 nan 8.310 nan 0.000 0.469 350 M N 0.321 120.042 119.600 0.201 0.000 2.358 350 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 350 M C 1.566 177.941 176.300 0.124 0.000 1.064 350 M CA 1.251 56.662 55.300 0.185 0.000 1.093 350 M CB -0.470 32.164 32.600 0.056 0.000 1.401 350 M HN 0.319 nan 8.290 nan 0.000 0.440 351 I N -1.111 119.531 120.570 0.119 0.000 2.429 351 I HA -0.158 4.012 4.170 -0.000 0.000 0.247 351 I C 2.600 178.959 176.117 0.403 0.000 1.099 351 I CA 1.453 62.822 61.300 0.115 0.000 1.422 351 I CB -0.419 37.623 38.000 0.070 0.000 1.112 351 I HN 0.324 nan 8.210 nan 0.000 0.430 352 T N -2.431 112.289 114.554 0.277 0.000 2.939 352 T HA -0.153 4.197 4.350 -0.000 0.000 0.254 352 T C 1.654 176.466 174.700 0.187 0.000 1.041 352 T CA 0.213 62.442 62.100 0.215 0.000 1.142 352 T CB -0.727 68.239 68.868 0.164 0.000 0.874 352 T HN 0.482 nan 8.240 nan 0.000 0.452 353 W N 3.351 124.689 121.300 0.063 0.000 2.355 353 W HA 0.076 4.736 4.660 -0.000 0.000 0.309 353 W C -1.438 175.031 176.519 -0.083 0.000 1.206 353 W CA 1.093 58.447 57.345 0.016 0.000 1.284 353 W CB -0.994 28.496 29.460 0.051 0.000 1.145 353 W HN 0.264 nan 8.180 nan 0.000 0.502 354 P HA -0.200 nan 4.420 nan 0.000 0.218 354 P C 1.674 178.501 177.300 -0.789 0.000 1.148 354 P CA 2.046 64.693 63.100 -0.755 0.000 0.822 354 P CB -0.147 31.169 31.700 -0.639 0.000 0.784 355 V N -1.278 118.325 119.914 -0.519 0.000 2.379 355 V HA -0.152 3.968 4.120 -0.000 0.000 0.243 355 V C 2.295 178.179 176.094 -0.350 0.000 1.035 355 V CA 1.535 63.548 62.300 -0.478 0.000 1.035 355 V CB -0.976 30.614 31.823 -0.388 0.000 0.673 355 V HN 0.051 nan 8.190 nan 0.000 0.457 356 M N 1.007 120.448 119.600 -0.264 0.000 2.229 356 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 356 M C 2.436 178.651 176.300 -0.140 0.000 1.063 356 M CA 1.957 57.153 55.300 -0.172 0.000 1.114 356 M CB -1.459 31.077 32.600 -0.107 0.000 1.387 356 M HN 0.609 nan 8.290 nan 0.000 0.420 357 S N -0.489 114.946 115.700 -0.442 0.000 2.481 357 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 357 S C 1.415 175.784 174.600 -0.386 0.000 0.996 357 S CA 0.976 58.872 58.200 -0.507 0.000 0.942 357 S CB -0.398 62.135 63.200 -1.111 0.000 0.768 357 S HN 0.412 nan 8.310 nan 0.000 0.520 358 N N 1.000 119.466 118.700 -0.390 0.000 2.273 358 N HA 0.282 5.022 4.740 -0.000 0.000 0.231 358 N C -1.023 174.380 175.510 -0.179 0.000 1.134 358 N CA -0.178 52.692 53.050 -0.300 0.000 0.856 358 N CB 0.368 38.620 38.487 -0.392 0.000 1.068 358 N HN 0.221 nan 8.380 nan 0.000 0.510 359 S N 1.120 116.769 115.700 -0.084 0.000 2.062 359 S HA 0.283 4.753 4.470 -0.000 0.000 0.163 359 S C -2.652 172.026 174.600 0.130 0.000 1.612 359 S CA -0.784 57.423 58.200 0.012 0.000 1.251 359 S CB 1.317 64.517 63.200 -0.000 0.000 1.174 359 S HN 0.191 nan 8.310 nan 0.000 0.428 360 P HA 0.274 nan 4.420 nan 0.000 0.225 360 P C -1.052 176.289 177.300 0.070 0.000 1.813 360 P CA -0.373 62.743 63.100 0.027 0.000 1.013 360 P CB -0.321 31.363 31.700 -0.028 0.000 1.961 361 N N 2.969 121.755 118.700 0.143 0.000 2.443 361 N HA 0.272 5.012 4.740 -0.000 0.000 0.269 361 N C 0.045 175.654 175.510 0.164 0.000 0.985 361 N CA -0.296 52.830 53.050 0.125 0.000 0.921 361 N CB 1.636 40.186 38.487 0.105 0.000 1.195 361 N HN 0.339 nan 8.380 nan 0.000 0.492 362 N N -1.636 117.140 118.700 0.127 0.000 3.344 362 N HA 0.153 4.893 4.740 -0.000 0.000 0.296 362 N C 0.263 175.817 175.510 0.072 0.000 1.571 362 N CA -0.877 52.250 53.050 0.128 0.000 0.844 362 N CB 0.402 38.983 38.487 0.157 0.000 1.718 362 N HN -0.032 nan 8.380 nan 0.000 0.589 363 V N -0.043 119.880 119.914 0.015 0.000 2.568 363 V HA -0.043 4.077 4.120 -0.000 0.000 0.253 363 V C 1.379 177.467 176.094 -0.011 0.000 1.072 363 V CA 1.648 63.912 62.300 -0.060 0.000 1.084 363 V CB -0.891 30.748 31.823 -0.305 0.000 0.676 363 V HN 0.540 nan 8.190 nan 0.000 0.469 364 L N 0.994 122.229 121.223 0.020 0.000 2.492 364 L HA 0.078 4.417 4.340 -0.000 0.000 0.223 364 L C 1.761 178.668 176.870 0.063 0.000 1.132 364 L CA 1.135 56.007 54.840 0.053 0.000 0.850 364 L CB -0.418 41.688 42.059 0.080 0.000 0.966 364 L HN 0.628 nan 8.230 nan 0.000 0.454 365 N N -0.490 118.248 118.700 0.063 0.000 2.168 365 N HA 0.143 4.883 4.740 -0.000 0.000 0.216 365 N C 0.075 175.622 175.510 0.061 0.000 1.259 365 N CA -0.045 53.040 53.050 0.059 0.000 0.902 365 N CB 0.632 39.150 38.487 0.050 0.000 1.079 365 N HN 0.109 nan 8.380 nan 0.000 0.507 366 I N 1.415 122.026 120.570 0.069 0.000 2.436 366 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 366 I C -0.536 175.634 176.117 0.088 0.000 1.010 366 I CA -0.871 60.473 61.300 0.074 0.000 1.098 366 I CB 1.967 40.012 38.000 0.075 0.000 1.266 366 I HN -0.160 nan 8.210 nan 0.000 0.434 367 E N 4.374 124.627 120.200 0.089 0.000 2.344 367 E HA 0.216 4.566 4.350 -0.000 0.000 0.270 367 E C 1.047 177.717 176.600 0.116 0.000 1.021 367 E CA 0.425 56.889 56.400 0.108 0.000 0.887 367 E CB 0.983 30.738 29.700 0.091 0.000 0.997 367 E HN 0.939 nan 8.360 nan 0.000 0.429 368 G N 2.385 111.277 108.800 0.153 0.000 2.162 368 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 368 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 368 G C 0.399 175.389 174.900 0.150 0.000 0.976 368 G CA 0.266 45.462 45.100 0.159 0.000 0.655 368 G HN 0.636 nan 8.290 nan 0.000 0.533 369 C N 2.357 121.736 119.300 0.132 0.000 2.394 369 C HA 0.650 5.110 4.460 -0.000 0.000 0.362 369 C C -0.062 174.985 174.990 0.095 0.000 1.268 369 C CA -1.154 57.930 59.018 0.111 0.000 1.828 369 C CB 0.770 28.568 27.740 0.097 0.000 2.442 369 C HN 0.332 nan 8.230 nan 0.000 0.549 370 P HA 0.040 nan 4.420 nan 0.000 0.255 370 P C 0.444 177.779 177.300 0.058 0.000 1.248 370 P CA 0.423 63.565 63.100 0.070 0.000 0.807 370 P CB 0.025 31.792 31.700 0.111 0.000 1.150 371 S N 0.359 116.135 115.700 0.127 0.000 2.562 371 S HA 0.192 4.662 4.470 -0.000 0.000 0.281 371 S C 0.883 175.610 174.600 0.211 0.000 1.333 371 S CA -0.307 58.038 58.200 0.242 0.000 1.052 371 S CB -0.073 63.285 63.200 0.262 0.000 0.884 371 S HN 0.010 nan 8.310 nan 0.000 0.506 372 L N 4.210 125.654 121.223 0.368 0.000 2.857 372 L HA 0.286 4.626 4.340 -0.000 0.000 0.249 372 L C -0.149 177.081 176.870 0.600 0.000 1.172 372 L CA -0.347 54.693 54.840 0.334 0.000 0.980 372 L CB -0.059 42.133 42.059 0.222 0.000 1.299 372 L HN 0.709 nan 8.230 nan 0.000 0.535 373 Y N 2.652 123.256 120.300 0.506 0.000 2.620 373 Y HA -0.075 4.475 4.550 -0.000 0.000 0.330 373 Y C 1.078 177.145 175.900 0.278 0.000 1.186 373 Y CA 0.001 58.368 58.100 0.444 0.000 1.467 373 Y CB 0.264 38.854 38.460 0.216 0.000 1.262 373 Y HN 0.057 nan 8.280 nan 0.000 0.550 374 K N 3.843 124.029 120.400 -0.357 0.000 3.341 374 K HA -0.297 4.023 4.320 -0.000 0.000 0.305 374 K C -0.385 176.175 176.600 -0.067 0.000 1.270 374 K CA 0.893 56.970 56.287 -0.350 0.000 0.897 374 K CB -2.280 29.952 32.500 -0.446 0.000 1.264 374 K HN 0.642 nan 8.250 nan 0.000 0.468 375 F N 2.310 122.214 119.950 -0.077 0.000 2.538 375 F HA 0.241 4.768 4.527 -0.000 0.000 0.371 375 F C 0.395 176.128 175.800 -0.111 0.000 1.087 375 F CA -0.269 57.683 58.000 -0.081 0.000 1.250 375 F CB 0.371 39.328 39.000 -0.071 0.000 1.110 375 F HN 0.105 nan 8.300 nan 0.000 0.570 376 N N 7.313 125.446 118.700 -0.945 0.000 2.346 376 N HA 0.436 5.176 4.740 -0.000 0.000 0.289 376 N C -2.057 172.656 175.510 -1.328 0.000 1.027 376 N CA -1.968 50.525 53.050 -0.929 0.000 0.864 376 N CB 2.087 40.398 38.487 -0.294 0.000 1.370 376 N HN 0.277 nan 8.380 nan 0.000 0.481 377 P HA -0.038 nan 4.420 nan 0.000 0.223 377 P C -0.274 176.498 177.300 -0.880 0.000 1.151 377 P CA 0.879 63.212 63.100 -1.278 0.000 0.787 377 P CB 0.127 30.775 31.700 -1.754 0.000 0.788 378 F N -0.187 119.483 119.950 -0.466 0.000 2.368 378 F HA 0.391 4.918 4.527 -0.000 0.000 0.308 378 F C 1.721 177.359 175.800 -0.269 0.000 1.198 378 F CA -0.597 57.218 58.000 -0.308 0.000 1.130 378 F CB -0.351 38.505 39.000 -0.241 0.000 1.300 378 F HN -0.310 nan 8.300 nan 0.000 0.537 379 R N -0.094 120.373 120.500 -0.055 0.000 3.651 379 R HA -0.150 4.190 4.340 -0.000 0.000 0.292 379 R C 0.703 176.958 176.300 -0.076 0.000 1.161 379 R CA 0.631 56.657 56.100 -0.125 0.000 0.787 379 R CB -1.963 28.224 30.300 -0.188 0.000 1.249 379 R HN 1.249 nan 8.270 nan 0.000 0.476 380 G N -2.704 106.063 108.800 -0.056 0.000 2.157 380 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.248 380 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.248 380 G C 0.990 175.888 174.900 -0.005 0.000 0.979 380 G CA 0.431 45.518 45.100 -0.022 0.000 0.650 380 G HN 0.680 nan 8.290 nan 0.000 0.529 381 G N 0.556 109.322 108.800 -0.056 0.000 2.433 381 G HA2 0.001 3.960 3.960 -0.000 0.000 0.216 381 G HA3 0.001 3.960 3.960 -0.000 0.000 0.216 381 G C 1.764 176.754 174.900 0.149 0.000 1.186 381 G CA 1.526 46.621 45.100 -0.008 0.000 0.779 381 G HN 1.108 nan 8.290 nan 0.000 0.543 382 L N 0.699 121.949 121.223 0.045 0.000 2.083 382 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 382 L C 2.519 179.438 176.870 0.082 0.000 1.083 382 L CA 2.037 56.938 54.840 0.101 0.000 0.752 382 L CB -0.413 41.636 42.059 -0.017 0.000 0.899 382 L HN 0.324 nan 8.230 nan 0.000 0.433 383 N N 0.045 118.811 118.700 0.108 0.000 2.094 383 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 383 N C 1.964 177.558 175.510 0.139 0.000 1.023 383 N CA 1.741 54.899 53.050 0.181 0.000 0.857 383 N CB -0.070 38.523 38.487 0.176 0.000 1.013 383 N HN 0.281 nan 8.380 nan 0.000 0.426 384 R N -0.712 119.856 120.500 0.114 0.000 2.115 384 R HA 0.015 4.355 4.340 -0.000 0.000 0.226 384 R C 1.901 178.270 176.300 0.114 0.000 1.100 384 R CA 0.960 57.129 56.100 0.115 0.000 0.980 384 R CB -0.233 30.130 30.300 0.105 0.000 0.875 384 R HN 0.281 nan 8.270 nan 0.000 0.445 385 I N -0.004 120.599 120.570 0.055 0.000 2.315 385 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 385 I C 2.099 178.258 176.117 0.070 0.000 1.117 385 I CA 1.073 62.370 61.300 -0.005 0.000 1.404 385 I CB -0.057 37.808 38.000 -0.226 0.000 1.071 385 I HN -0.100 nan 8.210 nan 0.000 0.419 386 V N 0.193 120.082 119.914 -0.042 0.000 2.343 386 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 386 V C 2.309 178.359 176.094 -0.073 0.000 1.051 386 V CA 1.841 64.034 62.300 -0.178 0.000 1.036 386 V CB -0.714 30.815 31.823 -0.489 0.000 0.654 386 V HN 0.449 nan 8.190 nan 0.000 0.451 387 E N -1.229 118.991 120.200 0.034 0.000 2.153 387 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 387 E C 1.921 178.594 176.600 0.121 0.000 0.988 387 E CA 1.590 58.041 56.400 0.085 0.000 0.811 387 E CB -0.221 29.553 29.700 0.125 0.000 0.746 387 E HN 0.800 nan 8.360 nan 0.000 0.466 388 W N 1.438 122.731 121.300 -0.012 0.000 2.358 388 W HA -0.157 4.503 4.660 -0.000 0.000 0.303 388 W C 1.783 178.314 176.519 0.020 0.000 1.208 388 W CA 1.372 58.724 57.345 0.012 0.000 1.274 388 W CB -0.123 29.347 29.460 0.016 0.000 1.138 388 W HN -0.074 nan 8.180 nan 0.000 0.515 389 I N 0.339 121.038 120.570 0.215 0.000 2.252 389 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 389 I C 2.323 178.390 176.117 -0.082 0.000 1.102 389 I CA 1.269 62.599 61.300 0.050 0.000 1.385 389 I CB -0.773 37.288 38.000 0.101 0.000 1.064 389 I HN -0.029 nan 8.210 nan 0.000 0.414 390 L N 0.791 121.975 121.223 -0.065 0.000 2.275 390 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 390 L C 1.544 178.370 176.870 -0.074 0.000 1.119 390 L CA -0.146 54.656 54.840 -0.064 0.000 0.790 390 L CB -0.595 41.438 42.059 -0.043 0.000 0.919 390 L HN 0.183 nan 8.230 nan 0.000 0.443 391 A N 0.878 123.634 122.820 -0.107 0.000 2.531 391 A HA 0.083 4.403 4.320 -0.000 0.000 0.236 391 A C -1.168 176.335 177.584 -0.136 0.000 1.062 391 A CA -0.812 51.152 52.037 -0.121 0.000 0.760 391 A CB -0.279 18.621 19.000 -0.167 0.000 0.995 391 A HN 0.047 nan 8.150 nan 0.000 0.501 392 P HA -0.093 nan 4.420 nan 0.000 0.222 392 P C 0.065 177.303 177.300 -0.102 0.000 1.147 392 P CA 0.771 63.822 63.100 -0.082 0.000 0.790 392 P CB -0.013 31.653 31.700 -0.056 0.000 0.780 393 E N 1.394 121.513 120.200 -0.134 0.000 2.465 393 E HA 0.070 4.420 4.350 -0.000 0.000 0.260 393 E C 0.552 177.057 176.600 -0.159 0.000 0.980 393 E CA 0.711 57.027 56.400 -0.140 0.000 0.927 393 E CB -0.115 29.491 29.700 -0.157 0.000 0.934 393 E HN 0.447 nan 8.360 nan 0.000 0.459 394 E N 1.461 121.591 120.200 -0.116 0.000 2.401 394 E HA 0.408 4.758 4.350 -0.000 0.000 0.283 394 E C -2.746 173.780 176.600 -0.124 0.000 1.053 394 E CA -1.787 54.554 56.400 -0.099 0.000 0.842 394 E CB 0.300 29.947 29.700 -0.088 0.000 1.222 394 E HN 0.129 nan 8.360 nan 0.000 0.429 395 P HA 0.257 nan 4.420 nan 0.000 0.274 395 P C -1.345 176.062 177.300 0.178 0.000 1.231 395 P CA -0.434 62.699 63.100 0.055 0.000 0.790 395 P CB 0.452 32.246 31.700 0.157 0.000 0.951 396 K N -0.198 120.393 120.400 0.319 0.000 2.527 396 K HA 0.864 5.184 4.320 -0.000 0.000 0.260 396 K C -1.682 175.215 176.600 0.495 0.000 0.937 396 K CA -1.123 55.377 56.287 0.355 0.000 0.826 396 K CB 2.105 34.640 32.500 0.058 0.000 1.359 396 K HN 0.373 nan 8.250 nan 0.000 0.434 397 A N 1.777 124.915 122.820 0.529 0.000 2.384 397 A HA 0.829 5.149 4.320 -0.000 0.000 0.312 397 A C -1.683 176.066 177.584 0.276 0.000 1.113 397 A CA -0.818 51.405 52.037 0.309 0.000 0.779 397 A CB 1.375 20.470 19.000 0.159 0.000 1.307 397 A HN 0.487 nan 8.150 nan 0.000 0.436 398 L N 0.521 121.809 121.223 0.108 0.000 2.422 398 L HA 0.763 5.103 4.340 -0.000 0.000 0.264 398 L C -0.958 175.951 176.870 0.065 0.000 0.984 398 L CA -0.523 54.331 54.840 0.022 0.000 0.819 398 L CB 2.016 44.044 42.059 -0.052 0.000 1.330 398 L HN 0.713 nan 8.230 nan 0.000 0.410 399 V N 3.939 123.899 119.914 0.077 0.000 2.733 399 V HA 0.586 4.706 4.120 -0.000 0.000 0.306 399 V C -2.113 174.113 176.094 0.220 0.000 1.084 399 V CA -0.395 61.909 62.300 0.006 0.000 0.905 399 V CB 1.983 33.666 31.823 -0.233 0.000 1.010 399 V HN 0.681 nan 8.190 nan 0.000 0.424 400 Y N 6.698 127.037 120.300 0.065 0.000 2.317 400 Y HA 0.655 5.205 4.550 -0.000 0.000 0.329 400 Y C 0.309 176.312 175.900 0.172 0.000 1.101 400 Y CA 0.494 58.781 58.100 0.311 0.000 1.228 400 Y CB 1.274 39.978 38.460 0.406 0.000 1.123 400 Y HN 1.583 nan 8.280 nan 0.000 0.457 401 A N 3.237 125.950 122.820 -0.178 0.000 5.382 401 A HA -0.369 3.951 4.320 -0.000 0.000 0.307 401 A C 1.258 178.703 177.584 -0.232 0.000 1.937 401 A CA 1.845 53.674 52.037 -0.347 0.000 0.715 401 A CB -1.680 17.266 19.000 -0.089 0.000 1.293 401 A HN 0.928 nan 8.150 nan 0.000 0.374 402 D N 1.352 121.692 120.400 -0.100 0.000 2.349 402 D HA 0.049 4.689 4.640 -0.000 0.000 0.224 402 D C 0.114 176.345 176.300 -0.115 0.000 1.029 402 D CA 0.635 54.572 54.000 -0.106 0.000 0.879 402 D CB -0.825 39.947 40.800 -0.047 0.000 0.906 402 D HN 0.489 nan 8.370 nan 0.000 0.528 403 N N 0.951 119.602 118.700 -0.082 0.000 2.434 403 N HA 0.306 5.046 4.740 -0.000 0.000 0.272 403 N C -0.330 174.977 175.510 -0.339 0.000 1.040 403 N CA -0.245 52.680 53.050 -0.209 0.000 0.956 403 N CB 2.028 40.464 38.487 -0.085 0.000 1.108 403 N HN 0.123 nan 8.380 nan 0.000 0.481 404 I N 2.706 122.973 120.570 -0.505 0.000 2.436 404 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 404 I C -1.001 174.712 176.117 -0.674 0.000 1.010 404 I CA -0.771 60.245 61.300 -0.472 0.000 1.098 404 I CB 1.029 38.793 38.000 -0.394 0.000 1.266 404 I HN 0.327 nan 8.210 nan 0.000 0.434 405 Y N 6.559 126.687 120.300 -0.287 0.000 2.328 405 Y HA 0.627 5.176 4.550 -0.000 0.000 0.337 405 Y C -0.130 175.512 175.900 -0.430 0.000 0.966 405 Y CA -0.626 57.177 58.100 -0.496 0.000 1.136 405 Y CB 1.456 39.616 38.460 -0.501 0.000 1.170 405 Y HN 0.314 nan 8.280 nan 0.000 0.470 406 I N 3.988 124.338 120.570 -0.367 0.000 2.545 406 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 406 I C -1.049 175.072 176.117 0.008 0.000 1.040 406 I CA -1.237 59.956 61.300 -0.178 0.000 1.068 406 I CB 2.177 39.926 38.000 -0.418 0.000 1.251 406 I HN 0.360 nan 8.210 nan 0.000 0.424 407 V N 6.273 126.311 119.914 0.206 0.000 2.384 407 V HA 0.571 4.691 4.120 -0.000 0.000 0.287 407 V C -1.246 175.035 176.094 0.311 0.000 1.020 407 V CA 0.071 62.543 62.300 0.287 0.000 0.850 407 V CB 1.269 33.272 31.823 0.301 0.000 0.987 407 V HN 0.808 nan 8.190 nan 0.000 0.436 408 H N 4.181 123.407 119.070 0.260 0.000 2.966 408 H HA 0.344 4.900 4.556 -0.000 0.000 0.347 408 H C 0.104 175.560 175.328 0.214 0.000 1.048 408 H CA 0.389 56.576 56.048 0.233 0.000 1.295 408 H CB 2.008 31.904 29.762 0.223 0.000 1.744 408 H HN 0.967 nan 8.280 nan 0.000 0.513 409 S N 3.768 119.590 115.700 0.203 0.000 3.682 409 S HA -0.278 4.191 4.470 -0.000 0.000 0.354 409 S C 0.729 175.415 174.600 0.143 0.000 1.034 409 S CA 1.021 59.336 58.200 0.192 0.000 1.084 409 S CB -1.542 61.848 63.200 0.316 0.000 0.903 409 S HN 0.923 nan 8.310 nan 0.000 0.470 410 N N -0.528 118.233 118.700 0.103 0.000 2.725 410 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 410 N C -0.665 174.893 175.510 0.080 0.000 1.103 410 N CA 1.691 54.785 53.050 0.074 0.000 0.707 410 N CB -1.304 37.208 38.487 0.042 0.000 1.043 410 N HN 0.702 nan 8.380 nan 0.000 0.553 411 T N 0.181 114.802 114.554 0.112 0.000 2.848 411 T HA 0.274 4.624 4.350 -0.000 0.000 0.285 411 T C -0.768 173.921 174.700 -0.019 0.000 0.995 411 T CA -0.623 61.466 62.100 -0.019 0.000 0.970 411 T CB 1.389 70.163 68.868 -0.156 0.000 0.976 411 T HN 0.308 nan 8.240 nan 0.000 0.441 412 W N 5.006 126.159 121.300 -0.245 0.000 2.338 412 W HA 0.470 5.130 4.660 -0.000 0.000 0.307 412 W C -1.984 174.353 176.519 -0.303 0.000 1.167 412 W CA -0.765 56.499 57.345 -0.135 0.000 1.208 412 W CB 0.431 29.860 29.460 -0.051 0.000 1.228 412 W HN 0.661 nan 8.180 nan 0.000 0.499 413 Y N 3.995 123.982 120.300 -0.522 0.000 2.328 413 Y HA 0.174 4.724 4.550 -0.000 0.000 0.336 413 Y C 0.400 175.888 175.900 -0.686 0.000 0.960 413 Y CA -0.582 57.225 58.100 -0.489 0.000 1.134 413 Y CB 1.974 40.179 38.460 -0.424 0.000 1.166 413 Y HN 0.245 nan 8.280 nan 0.000 0.464 414 S N 5.170 120.699 115.700 -0.285 0.000 2.420 414 S HA 0.631 5.101 4.470 -0.000 0.000 0.313 414 S C -0.798 173.666 174.600 -0.227 0.000 1.079 414 S CA -0.413 57.642 58.200 -0.240 0.000 1.104 414 S CB -0.361 62.886 63.200 0.079 0.000 0.969 414 S HN 0.563 nan 8.310 nan 0.000 0.471 415 I N 4.253 124.604 120.570 -0.364 0.000 2.378 415 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 415 I C -0.681 175.296 176.117 -0.234 0.000 0.992 415 I CA -0.736 60.411 61.300 -0.255 0.000 1.154 415 I CB 1.814 39.629 38.000 -0.309 0.000 1.315 415 I HN 0.449 nan 8.210 nan 0.000 0.448 416 D N 6.396 126.737 120.400 -0.098 0.000 2.248 416 D HA 0.459 5.098 4.640 -0.000 0.000 0.246 416 D C -0.288 176.023 176.300 0.018 0.000 1.027 416 D CA -0.390 53.576 54.000 -0.056 0.000 0.853 416 D CB 2.239 43.032 40.800 -0.012 0.000 1.243 416 D HN 0.268 nan 8.370 nan 0.000 0.462 417 L N 1.328 122.554 121.223 0.004 0.000 2.462 417 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 417 L C 1.119 178.013 176.870 0.040 0.000 1.166 417 L CA 0.008 54.877 54.840 0.048 0.000 0.880 417 L CB 0.253 42.307 42.059 -0.009 0.000 1.142 417 L HN 0.328 nan 8.230 nan 0.000 0.473 418 E N 5.331 125.559 120.200 0.046 0.000 2.161 418 E HA -0.018 4.332 4.350 -0.000 0.000 0.263 418 E C -0.416 176.192 176.600 0.013 0.000 1.185 418 E CA -0.238 56.175 56.400 0.021 0.000 0.938 418 E CB 0.096 29.793 29.700 -0.005 0.000 1.023 418 E HN 0.381 nan 8.360 nan 0.000 0.433 419 K N 2.827 123.242 120.400 0.025 0.000 4.007 419 K HA -0.238 4.082 4.320 -0.000 0.000 0.279 419 K C 0.944 177.552 176.600 0.013 0.000 0.919 419 K CA 0.147 56.452 56.287 0.030 0.000 0.800 419 K CB -1.453 31.069 32.500 0.036 0.000 1.572 419 K HN 0.855 nan 8.250 nan 0.000 0.443 420 G N 1.689 110.492 108.800 0.005 0.000 2.574 420 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.220 420 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.220 420 G C 1.146 176.018 174.900 -0.045 0.000 1.173 420 G CA 1.400 46.483 45.100 -0.029 0.000 0.772 420 G HN 0.605 nan 8.290 nan 0.000 0.585 421 E N 0.726 120.913 120.200 -0.021 0.000 2.130 421 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 421 E C 2.702 179.284 176.600 -0.031 0.000 0.998 421 E CA 1.179 57.561 56.400 -0.031 0.000 0.806 421 E CB -0.406 29.293 29.700 -0.001 0.000 0.738 421 E HN 0.446 nan 8.360 nan 0.000 0.459 422 A N 0.845 123.664 122.820 -0.002 0.000 2.121 422 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 422 A C 1.550 179.133 177.584 -0.001 0.000 1.154 422 A CA 0.916 52.964 52.037 0.019 0.000 0.679 422 A CB -0.208 18.816 19.000 0.041 0.000 0.795 422 A HN 0.142 nan 8.150 nan 0.000 0.458 423 N N -0.830 117.846 118.700 -0.040 0.000 2.422 423 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 423 N C 0.222 175.672 175.510 -0.100 0.000 1.080 423 N CA 0.242 53.253 53.050 -0.065 0.000 0.893 423 N CB -0.208 38.221 38.487 -0.097 0.000 0.973 423 N HN 0.425 nan 8.380 nan 0.000 0.456 424 C N 2.771 122.010 119.300 -0.103 0.000 2.576 424 C HA 0.255 4.715 4.460 -0.000 0.000 0.401 424 C C 1.276 176.300 174.990 0.057 0.000 1.314 424 C CA -0.316 58.645 59.018 -0.094 0.000 1.855 424 C CB -0.810 26.870 27.740 -0.099 0.000 2.537 424 C HN 0.420 nan 8.230 nan 0.000 0.578 425 T N 3.268 117.981 114.554 0.265 0.000 2.936 425 T HA 0.392 4.742 4.350 -0.000 0.000 0.282 425 T C 1.127 175.882 174.700 0.092 0.000 1.003 425 T CA -0.676 61.517 62.100 0.155 0.000 1.005 425 T CB 0.825 69.764 68.868 0.118 0.000 1.097 425 T HN 0.736 nan 8.240 nan 0.000 0.532 426 R N 0.032 120.547 120.500 0.024 0.000 2.120 426 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 426 R C 2.463 178.780 176.300 0.027 0.000 1.123 426 R CA 1.471 57.576 56.100 0.007 0.000 0.975 426 R CB -0.306 29.989 30.300 -0.009 0.000 0.866 426 R HN 0.627 nan 8.270 nan 0.000 0.446 427 Q N -0.842 118.959 119.800 0.003 0.000 2.230 427 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 427 Q C 1.684 177.674 176.000 -0.017 0.000 0.963 427 Q CA 1.062 56.864 55.803 -0.003 0.000 0.866 427 Q CB -0.058 28.623 28.738 -0.095 0.000 0.931 427 Q HN 0.449 nan 8.270 nan 0.000 0.452 428 H N -0.495 118.579 119.070 0.007 0.000 2.321 428 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 428 H C 1.879 177.209 175.328 0.004 0.000 1.087 428 H CA 1.642 57.679 56.048 -0.018 0.000 1.319 428 H CB -0.154 29.574 29.762 -0.057 0.000 1.379 428 H HN 0.318 nan 8.280 nan 0.000 0.501 429 M N 1.247 120.921 119.600 0.123 0.000 2.200 429 M HA -0.173 4.307 4.480 -0.000 0.000 0.265 429 M C 2.500 178.830 176.300 0.051 0.000 1.066 429 M CA 1.516 56.850 55.300 0.057 0.000 1.127 429 M CB 0.027 32.630 32.600 0.005 0.000 1.379 429 M HN 0.271 nan 8.290 nan 0.000 0.420 430 Q N -0.355 119.483 119.800 0.063 0.000 2.224 430 Q HA -0.062 4.278 4.340 -0.000 0.000 0.203 430 Q C 1.756 177.782 176.000 0.044 0.000 0.970 430 Q CA 1.411 57.232 55.803 0.030 0.000 0.865 430 Q CB -0.562 28.201 28.738 0.041 0.000 0.922 430 Q HN 0.556 nan 8.270 nan 0.000 0.445 431 A N 1.480 124.431 122.820 0.219 0.000 1.930 431 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 431 A C 2.399 180.124 177.584 0.236 0.000 1.175 431 A CA 1.421 53.643 52.037 0.309 0.000 0.627 431 A CB -0.822 18.351 19.000 0.289 0.000 0.815 431 A HN 0.555 nan 8.150 nan 0.000 0.443 432 A N -0.986 121.926 122.820 0.153 0.000 1.930 432 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 432 A C 2.138 179.816 177.584 0.155 0.000 1.175 432 A CA 1.768 53.889 52.037 0.140 0.000 0.627 432 A CB -0.422 18.620 19.000 0.071 0.000 0.815 432 A HN 0.406 nan 8.150 nan 0.000 0.443 433 M N -1.911 117.742 119.600 0.088 0.000 2.175 433 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 433 M C 2.132 178.439 176.300 0.011 0.000 1.063 433 M CA 1.289 56.606 55.300 0.029 0.000 1.119 433 M CB -1.377 31.201 32.600 -0.037 0.000 1.377 433 M HN 0.649 nan 8.290 nan 0.000 0.415 434 Y N 0.057 120.294 120.300 -0.105 0.000 2.165 434 Y HA -0.334 4.216 4.550 -0.000 0.000 0.286 434 Y C 2.554 178.474 175.900 0.034 0.000 1.155 434 Y CA 2.047 60.078 58.100 -0.114 0.000 1.164 434 Y CB -0.698 37.630 38.460 -0.219 0.000 0.978 434 Y HN 0.235 nan 8.280 nan 0.000 0.513 435 Y N 0.000 120.377 120.300 0.127 0.000 2.145 435 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 435 Y C 2.215 178.103 175.900 -0.020 0.000 1.145 435 Y CA 1.869 60.007 58.100 0.063 0.000 1.148 435 Y CB -0.351 38.170 38.460 0.102 0.000 0.981 435 Y HN 0.088 nan 8.280 nan 0.000 0.507 436 I N 0.330 120.885 120.570 -0.025 0.000 2.286 436 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 436 I C 2.292 178.394 176.117 -0.025 0.000 1.115 436 I CA 1.477 62.735 61.300 -0.069 0.000 1.392 436 I CB -1.247 36.807 38.000 0.090 0.000 1.065 436 I HN 0.402 nan 8.210 nan 0.000 0.418 437 L N 0.189 121.374 121.223 -0.063 0.000 2.095 437 L HA -0.159 4.181 4.340 -0.000 0.000 0.204 437 L C 2.647 179.506 176.870 -0.018 0.000 1.080 437 L CA 1.741 56.538 54.840 -0.072 0.000 0.759 437 L CB -0.793 40.956 42.059 -0.517 0.000 0.914 437 L HN 0.330 nan 8.230 nan 0.000 0.439 438 T N -2.248 112.175 114.554 -0.218 0.000 2.942 438 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 438 T C 1.729 176.336 174.700 -0.154 0.000 1.062 438 T CA 0.553 62.536 62.100 -0.195 0.000 1.139 438 T CB -0.086 68.532 68.868 -0.417 0.000 0.883 438 T HN 0.383 nan 8.240 nan 0.000 0.468 439 R N 0.274 120.606 120.500 -0.281 0.000 2.419 439 R HA 0.410 4.750 4.340 -0.000 0.000 0.235 439 R C 2.371 178.503 176.300 -0.279 0.000 0.899 439 R CA 0.540 56.472 56.100 -0.279 0.000 1.048 439 R CB -0.231 29.852 30.300 -0.361 0.000 1.182 439 R HN 0.423 nan 8.270 nan 0.000 0.544 440 G N 0.951 109.573 108.800 -0.297 0.000 2.524 440 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.210 440 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.210 440 G C 0.013 174.666 174.900 -0.411 0.000 1.187 440 G CA -0.287 44.579 45.100 -0.390 0.000 0.825 440 G HN 0.230 nan 8.290 nan 0.000 0.558 441 W N 2.206 123.464 121.300 -0.070 0.000 2.269 441 W HA 0.705 5.365 4.660 -0.000 0.000 0.402 441 W C -0.063 176.530 176.519 0.124 0.000 0.654 441 W CA -0.425 56.948 57.345 0.047 0.000 2.299 441 W CB 0.244 29.771 29.460 0.112 0.000 1.621 441 W HN -0.080 nan 8.180 nan 0.000 0.677 442 S N 0.567 116.348 115.700 0.135 0.000 2.548 442 S HA 0.123 4.593 4.470 -0.000 0.000 0.276 442 S C -1.463 173.139 174.600 0.004 0.000 1.129 442 S CA -0.750 57.495 58.200 0.075 0.000 0.931 442 S CB 1.971 65.205 63.200 0.057 0.000 1.068 442 S HN 0.081 nan 8.310 nan 0.000 0.480 443 D N 2.395 122.792 120.400 -0.005 0.000 2.485 443 D HA 0.252 4.892 4.640 -0.000 0.000 0.229 443 D C 0.302 176.593 176.300 -0.014 0.000 1.101 443 D CA -0.023 53.968 54.000 -0.015 0.000 0.906 443 D CB -0.313 40.480 40.800 -0.012 0.000 1.019 443 D HN 0.635 nan 8.370 nan 0.000 0.516 444 N N 3.432 122.127 118.700 -0.008 0.000 2.725 444 N HA -0.271 4.469 4.740 -0.000 0.000 0.251 444 N C 0.821 176.338 175.510 0.012 0.000 1.031 444 N CA 0.867 53.921 53.050 0.006 0.000 0.720 444 N CB -0.835 37.659 38.487 0.011 0.000 0.930 444 N HN 0.823 nan 8.380 nan 0.000 0.543 445 G N -0.661 108.142 108.800 0.004 0.000 2.258 445 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.233 445 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.233 445 G C -0.295 174.566 174.900 -0.065 0.000 1.006 445 G CA 0.406 45.504 45.100 -0.003 0.000 0.620 445 G HN 0.558 nan 8.290 nan 0.000 0.511 446 D N 2.710 123.065 120.400 -0.075 0.000 2.308 446 D HA 0.439 5.079 4.640 -0.000 0.000 0.251 446 D C -2.476 173.728 176.300 -0.160 0.000 1.127 446 D CA -0.978 52.944 54.000 -0.130 0.000 0.876 446 D CB 1.421 42.162 40.800 -0.097 0.000 1.176 446 D HN 0.104 nan 8.370 nan 0.000 0.446 447 P HA 0.087 nan 4.420 nan 0.000 0.271 447 P C 0.284 177.310 177.300 -0.457 0.000 1.226 447 P CA -0.118 62.600 63.100 -0.638 0.000 0.765 447 P CB 0.466 31.474 31.700 -1.154 0.000 0.835 448 M N 4.444 123.941 119.600 -0.171 0.000 3.029 448 M HA 0.268 4.748 4.480 -0.000 0.000 0.267 448 M C -0.535 175.865 176.300 0.167 0.000 1.270 448 M CA -0.007 55.334 55.300 0.068 0.000 1.101 448 M CB -1.207 31.549 32.600 0.259 0.000 1.266 448 M HN 0.279 nan 8.290 nan 0.000 0.503 449 F N -0.903 119.055 119.950 0.014 0.000 2.641 449 F HA 0.600 5.127 4.527 -0.000 0.000 0.308 449 F C -0.384 175.430 175.800 0.022 0.000 1.105 449 F CA -1.923 56.047 58.000 -0.049 0.000 0.964 449 F CB 0.419 39.359 39.000 -0.100 0.000 1.294 449 F HN 0.146 nan 8.300 nan 0.000 0.442 450 N N 0.688 119.538 118.700 0.251 0.000 2.476 450 N HA 0.235 4.975 4.740 -0.000 0.000 0.287 450 N C 0.358 176.035 175.510 0.279 0.000 1.262 450 N CA -0.426 52.734 53.050 0.183 0.000 0.980 450 N CB 0.310 38.888 38.487 0.152 0.000 1.163 450 N HN 0.682 nan 8.380 nan 0.000 0.592 451 Q N -0.782 119.114 119.800 0.162 0.000 2.311 451 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 451 Q C 1.344 177.405 176.000 0.102 0.000 0.954 451 Q CA 1.063 56.951 55.803 0.143 0.000 0.885 451 Q CB -0.716 28.067 28.738 0.076 0.000 0.963 451 Q HN 0.751 nan 8.270 nan 0.000 0.471 452 T N -0.428 114.163 114.554 0.061 0.000 2.708 452 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 452 T C 1.299 175.945 174.700 -0.090 0.000 1.037 452 T CA 1.154 63.210 62.100 -0.072 0.000 1.146 452 T CB -0.282 68.483 68.868 -0.172 0.000 0.865 452 T HN 0.416 nan 8.240 nan 0.000 0.435 453 W N 1.077 122.406 121.300 0.048 0.000 2.476 453 W HA 0.261 4.920 4.660 -0.000 0.000 0.281 453 W C 2.741 179.274 176.519 0.023 0.000 1.230 453 W CA 0.371 57.738 57.345 0.038 0.000 1.287 453 W CB -0.327 29.109 29.460 -0.040 0.000 1.108 453 W HN 0.197 nan 8.180 nan 0.000 0.567 454 A N -0.316 122.657 122.820 0.254 0.000 1.898 454 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 454 A C 1.872 179.495 177.584 0.065 0.000 1.181 454 A CA 2.249 54.342 52.037 0.094 0.000 0.620 454 A CB -1.180 17.971 19.000 0.252 0.000 0.819 454 A HN 0.190 nan 8.150 nan 0.000 0.442 455 T N -0.830 113.776 114.554 0.086 0.000 2.708 455 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 455 T C 1.621 176.357 174.700 0.060 0.000 1.037 455 T CA 1.558 63.689 62.100 0.051 0.000 1.146 455 T CB -0.393 68.491 68.868 0.026 0.000 0.865 455 T HN 0.474 nan 8.240 nan 0.000 0.435 456 F N 2.232 122.146 119.950 -0.059 0.000 2.095 456 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 456 F C 2.439 178.237 175.800 -0.003 0.000 1.104 456 F CA 1.167 59.142 58.000 -0.042 0.000 1.232 456 F CB -0.713 38.199 39.000 -0.146 0.000 0.987 456 F HN 0.136 nan 8.300 nan 0.000 0.475 457 A N 0.136 122.950 122.820 -0.011 0.000 1.898 457 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 457 A C 2.156 179.644 177.584 -0.160 0.000 1.181 457 A CA 1.868 53.835 52.037 -0.117 0.000 0.620 457 A CB -0.531 18.449 19.000 -0.034 0.000 0.819 457 A HN 0.427 nan 8.150 nan 0.000 0.442 458 M N -0.805 118.726 119.600 -0.113 0.000 2.357 458 M HA 0.082 4.561 4.480 -0.000 0.000 0.266 458 M C 0.761 177.017 176.300 -0.073 0.000 1.095 458 M CA 1.009 56.248 55.300 -0.102 0.000 1.156 458 M CB -0.979 31.569 32.600 -0.086 0.000 1.365 458 M HN 0.349 nan 8.290 nan 0.000 0.447 459 N N -0.683 117.977 118.700 -0.067 0.000 2.181 459 N HA 0.299 5.039 4.740 -0.000 0.000 0.207 459 N C 1.377 176.855 175.510 -0.053 0.000 1.182 459 N CA 0.347 53.377 53.050 -0.034 0.000 0.893 459 N CB 1.648 40.136 38.487 0.002 0.000 1.032 459 N HN 0.313 nan 8.380 nan 0.000 0.513 460 I N -0.365 120.123 120.570 -0.137 0.000 3.739 460 I HA 0.181 4.351 4.170 -0.000 0.000 0.272 460 I C 2.012 177.945 176.117 -0.307 0.000 1.167 460 I CA 0.236 61.448 61.300 -0.147 0.000 1.386 460 I CB -0.146 37.856 38.000 0.003 0.000 1.490 460 I HN -0.122 nan 8.210 nan 0.000 0.452 461 A N 2.076 124.509 122.820 -0.646 0.000 1.908 461 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 461 A C -0.296 177.123 177.584 -0.275 0.000 1.181 461 A CA 1.968 53.632 52.037 -0.620 0.000 0.627 461 A CB -1.940 16.564 19.000 -0.826 0.000 0.818 461 A HN 0.262 nan 8.150 nan 0.000 0.445 462 P HA -0.077 nan 4.420 nan 0.000 0.218 462 P C 1.510 178.752 177.300 -0.096 0.000 1.149 462 P CA 1.742 64.773 63.100 -0.115 0.000 0.817 462 P CB -0.064 31.593 31.700 -0.071 0.000 0.785 463 A N -1.056 121.712 122.820 -0.086 0.000 2.067 463 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 463 A C 2.078 179.646 177.584 -0.027 0.000 1.156 463 A CA 0.916 52.926 52.037 -0.045 0.000 0.683 463 A CB -1.367 17.622 19.000 -0.017 0.000 0.808 463 A HN 0.121 nan 8.150 nan 0.000 0.455 464 L N -0.492 120.704 121.223 -0.046 0.000 2.131 464 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 464 L C 2.116 179.014 176.870 0.046 0.000 1.087 464 L CA 1.413 56.265 54.840 0.020 0.000 0.767 464 L CB -0.152 41.902 42.059 -0.008 0.000 0.917 464 L HN 0.415 nan 8.230 nan 0.000 0.441 465 V N -4.913 114.934 119.914 -0.111 0.000 3.556 465 V HA 0.286 4.406 4.120 -0.000 0.000 0.287 465 V C 0.460 176.273 176.094 -0.468 0.000 1.422 465 V CA -0.366 61.698 62.300 -0.394 0.000 1.038 465 V CB 0.600 32.250 31.823 -0.289 0.000 0.850 465 V HN -0.033 nan 8.190 nan 0.000 0.437 466 V N 1.531 121.295 119.914 -0.250 0.000 2.487 466 V HA 0.572 4.692 4.120 -0.000 0.000 0.298 466 V C -0.012 176.000 176.094 -0.137 0.000 1.028 466 V CA -0.340 61.840 62.300 -0.199 0.000 0.860 466 V CB 1.088 32.839 31.823 -0.119 0.000 0.991 466 V HN 0.437 nan 8.190 nan 0.000 0.427 467 D N 2.338 122.653 120.400 -0.141 0.000 2.723 467 D HA -0.142 4.497 4.640 -0.000 0.000 0.236 467 D C 0.760 177.003 176.300 -0.096 0.000 1.138 467 D CA 1.464 55.387 54.000 -0.129 0.000 0.676 467 D CB -0.593 40.151 40.800 -0.093 0.000 1.069 467 D HN 0.851 nan 8.370 nan 0.000 0.430 468 S N -1.861 113.803 115.700 -0.060 0.000 2.702 468 S HA 0.815 5.285 4.470 -0.000 0.000 0.272 468 S C 0.570 175.244 174.600 0.124 0.000 1.068 468 S CA 0.068 58.305 58.200 0.063 0.000 0.964 468 S CB 2.089 65.390 63.200 0.167 0.000 1.307 468 S HN 0.323 nan 8.310 nan 0.000 0.567 469 S N -0.835 115.038 115.700 0.287 0.000 2.810 469 S HA 0.850 5.320 4.470 -0.000 0.000 0.315 469 S C -0.337 174.541 174.600 0.464 0.000 1.138 469 S CA -0.404 57.984 58.200 0.314 0.000 0.889 469 S CB 0.685 64.021 63.200 0.226 0.000 1.236 469 S HN 1.771 nan 8.310 nan 0.000 0.548 470 C N -0.328 119.168 119.300 0.327 0.000 3.173 470 C HA 0.867 5.327 4.460 -0.000 0.000 0.310 470 C C -1.169 173.908 174.990 0.145 0.000 1.306 470 C CA -0.922 58.213 59.018 0.195 0.000 1.426 470 C CB 0.201 28.096 27.740 0.258 0.000 1.800 470 C HN 0.996 nan 8.230 nan 0.000 0.470 471 L N 2.368 123.632 121.223 0.069 0.000 2.305 471 L HA 0.854 5.194 4.340 -0.000 0.000 0.284 471 L C -0.847 176.120 176.870 0.161 0.000 1.013 471 L CA -0.373 54.534 54.840 0.111 0.000 0.819 471 L CB 0.994 43.113 42.059 0.101 0.000 1.227 471 L HN 0.840 nan 8.230 nan 0.000 0.417 472 I N 6.769 127.416 120.570 0.128 0.000 2.512 472 I HA 0.591 4.761 4.170 -0.000 0.000 0.287 472 I C -0.068 175.987 176.117 -0.102 0.000 1.069 472 I CA -0.280 61.084 61.300 0.108 0.000 1.056 472 I CB 1.098 39.165 38.000 0.113 0.000 1.229 472 I HN 0.883 nan 8.210 nan 0.000 0.429 473 M N 3.890 123.276 119.600 -0.357 0.000 7.319 473 M HA -0.307 4.172 4.480 -0.000 0.000 0.114 473 M C 0.365 176.390 176.300 -0.458 0.000 0.480 473 M CA 1.665 56.414 55.300 -0.917 0.000 1.311 473 M CB -1.088 31.160 32.600 -0.588 0.000 0.421 473 M HN 0.821 nan 8.290 nan 0.000 0.204 474 N N 1.887 120.446 118.700 -0.236 0.000 2.362 474 N HA 0.312 5.052 4.740 -0.000 0.000 0.204 474 N C -0.462 175.052 175.510 0.007 0.000 1.166 474 N CA 0.372 53.428 53.050 0.010 0.000 0.831 474 N CB -0.378 38.180 38.487 0.119 0.000 1.008 474 N HN 0.493 nan 8.380 nan 0.000 0.472 475 L N 0.379 121.589 121.223 -0.022 0.000 2.309 475 L HA 0.370 4.710 4.340 -0.000 0.000 0.282 475 L C -0.038 176.866 176.870 0.057 0.000 1.036 475 L CA -0.690 54.154 54.840 0.007 0.000 0.806 475 L CB 1.546 43.602 42.059 -0.005 0.000 1.220 475 L HN -0.040 nan 8.230 nan 0.000 0.429 476 Q N 4.717 124.557 119.800 0.065 0.000 2.368 476 Q HA 0.601 4.941 4.340 -0.000 0.000 0.256 476 Q C -0.776 175.291 176.000 0.112 0.000 0.980 476 Q CA -0.278 55.587 55.803 0.104 0.000 0.887 476 Q CB 2.018 30.805 28.738 0.083 0.000 1.221 476 Q HN 0.533 nan 8.270 nan 0.000 0.458 477 I N -1.699 118.971 120.570 0.168 0.000 3.002 477 I HA 0.602 4.772 4.170 -0.000 0.000 0.310 477 I C -0.660 175.604 176.117 0.246 0.000 1.087 477 I CA -1.500 59.938 61.300 0.231 0.000 1.017 477 I CB 1.851 40.040 38.000 0.314 0.000 1.226 477 I HN 0.265 nan 8.210 nan 0.000 0.443 478 K N 1.756 122.268 120.400 0.187 0.000 2.355 478 K HA 0.267 4.587 4.320 -0.000 0.000 0.270 478 K C -0.641 175.992 176.600 0.055 0.000 1.003 478 K CA 0.060 56.318 56.287 -0.048 0.000 0.957 478 K CB 0.747 32.974 32.500 -0.454 0.000 0.939 478 K HN 0.769 nan 8.250 nan 0.000 0.482 479 T N 4.077 118.626 114.554 -0.008 0.000 2.749 479 T HA 0.237 4.587 4.350 -0.000 0.000 0.287 479 T C -1.174 173.430 174.700 -0.160 0.000 0.970 479 T CA -0.280 61.869 62.100 0.081 0.000 0.980 479 T CB 0.131 69.093 68.868 0.157 0.000 0.924 479 T HN 0.341 nan 8.240 nan 0.000 0.456 480 Y N 2.522 122.834 120.300 0.020 0.000 2.383 480 Y HA 0.496 5.046 4.550 -0.000 0.000 0.344 480 Y C 1.321 177.202 175.900 -0.031 0.000 0.986 480 Y CA 0.456 58.534 58.100 -0.036 0.000 1.175 480 Y CB 0.722 39.147 38.460 -0.057 0.000 1.152 480 Y HN 1.074 nan 8.280 nan 0.000 0.511 481 G N 2.692 111.519 108.800 0.046 0.000 2.553 481 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 481 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 481 G C -0.657 174.181 174.900 -0.103 0.000 1.277 481 G CA -0.551 44.542 45.100 -0.011 0.000 0.910 481 G HN 0.682 nan 8.290 nan 0.000 0.576 482 Q N 0.440 120.164 119.800 -0.126 0.000 2.235 482 Q HA 0.535 4.875 4.340 -0.000 0.000 0.250 482 Q C 0.880 176.739 176.000 -0.235 0.000 0.909 482 Q CA -0.048 55.613 55.803 -0.237 0.000 0.910 482 Q CB 0.879 29.509 28.738 -0.180 0.000 1.223 482 Q HN 1.217 nan 8.270 nan 0.000 0.432 483 G N 2.014 110.529 108.800 -0.476 0.000 2.483 483 G HA2 0.161 4.121 3.960 -0.000 0.000 0.248 483 G HA3 0.161 4.121 3.960 -0.000 0.000 0.248 483 G C -0.435 174.479 174.900 0.023 0.000 1.248 483 G CA -0.437 44.516 45.100 -0.245 0.000 0.838 483 G HN 0.631 nan 8.290 nan 0.000 0.566 484 S N -0.771 115.023 115.700 0.156 0.000 2.579 484 S HA 0.561 5.031 4.470 -0.000 0.000 0.275 484 S C 0.664 175.389 174.600 0.209 0.000 1.345 484 S CA 0.746 59.044 58.200 0.164 0.000 1.031 484 S CB 1.161 64.464 63.200 0.171 0.000 0.892 484 S HN 1.724 nan 8.310 nan 0.000 0.529 485 G N 2.119 111.026 108.800 0.178 0.000 2.145 485 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.174 485 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.174 485 G C 0.096 175.102 174.900 0.176 0.000 1.726 485 G CA -0.859 44.352 45.100 0.184 0.000 1.080 485 G HN 0.526 nan 8.290 nan 0.000 0.606 486 N N 0.833 119.639 118.700 0.177 0.000 2.132 486 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 486 N C 2.607 178.253 175.510 0.227 0.000 1.015 486 N CA 1.946 55.119 53.050 0.204 0.000 0.864 486 N CB -0.070 38.543 38.487 0.210 0.000 1.006 486 N HN 0.827 nan 8.380 nan 0.000 0.430 487 A N 1.085 124.027 122.820 0.203 0.000 1.845 487 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 487 A C 2.398 180.113 177.584 0.218 0.000 1.195 487 A CA 2.107 54.269 52.037 0.208 0.000 0.616 487 A CB -0.915 18.209 19.000 0.207 0.000 0.832 487 A HN 0.339 nan 8.150 nan 0.000 0.443 488 A N -0.699 122.247 122.820 0.210 0.000 2.014 488 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 488 A C 2.212 179.877 177.584 0.136 0.000 1.163 488 A CA 2.174 54.316 52.037 0.176 0.000 0.652 488 A CB -0.980 18.140 19.000 0.201 0.000 0.808 488 A HN 0.784 nan 8.150 nan 0.000 0.449 489 T N -4.375 110.265 114.554 0.142 0.000 3.086 489 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 489 T C 1.415 176.166 174.700 0.085 0.000 1.074 489 T CA 0.543 62.694 62.100 0.085 0.000 0.988 489 T CB -0.461 68.447 68.868 0.067 0.000 0.988 489 T HN 0.267 nan 8.240 nan 0.000 0.530 490 F N 2.549 122.508 119.950 0.014 0.000 2.069 490 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 490 F C 1.781 177.546 175.800 -0.058 0.000 1.113 490 F CA 1.334 59.317 58.000 -0.028 0.000 1.214 490 F CB -0.378 38.601 39.000 -0.035 0.000 0.978 490 F HN 0.107 nan 8.300 nan 0.000 0.474 491 I N 0.392 120.931 120.570 -0.051 0.000 2.179 491 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 491 I C 2.072 178.085 176.117 -0.172 0.000 1.088 491 I CA 1.288 62.491 61.300 -0.161 0.000 1.357 491 I CB -0.768 37.242 38.000 0.016 0.000 1.051 491 I HN 0.194 nan 8.210 nan 0.000 0.409 492 N N 1.205 119.844 118.700 -0.103 0.000 2.069 492 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 492 N C 1.615 177.022 175.510 -0.173 0.000 1.031 492 N CA 1.343 54.331 53.050 -0.105 0.000 0.852 492 N CB -0.651 37.793 38.487 -0.071 0.000 1.018 492 N HN 0.343 nan 8.380 nan 0.000 0.423 493 N N 0.374 118.959 118.700 -0.191 0.000 2.120 493 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 493 N C 1.659 177.000 175.510 -0.281 0.000 1.024 493 N CA 0.730 53.650 53.050 -0.216 0.000 0.852 493 N CB -0.658 37.728 38.487 -0.169 0.000 1.003 493 N HN 0.452 nan 8.380 nan 0.000 0.424 494 H N 0.744 119.517 119.070 -0.495 0.000 2.387 494 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 494 H C 2.171 177.293 175.328 -0.344 0.000 1.090 494 H CA 0.986 56.729 56.048 -0.509 0.000 1.332 494 H CB -0.132 29.164 29.762 -0.777 0.000 1.386 494 H HN 0.158 nan 8.280 nan 0.000 0.516 495 L N 0.129 121.242 121.223 -0.184 0.000 2.046 495 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 495 L C 2.247 178.990 176.870 -0.212 0.000 1.077 495 L CA 0.818 55.553 54.840 -0.175 0.000 0.747 495 L CB -0.234 41.754 42.059 -0.119 0.000 0.896 495 L HN 0.135 nan 8.230 nan 0.000 0.432 496 L N -0.472 120.601 121.223 -0.251 0.000 2.042 496 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 496 L C 2.660 179.388 176.870 -0.236 0.000 1.076 496 L CA 1.826 56.500 54.840 -0.277 0.000 0.749 496 L CB -1.042 40.833 42.059 -0.307 0.000 0.893 496 L HN 0.216 nan 8.230 nan 0.000 0.432 497 S N -1.630 113.907 115.700 -0.270 0.000 2.402 497 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 497 S C 1.898 176.338 174.600 -0.266 0.000 1.021 497 S CA 1.417 59.444 58.200 -0.288 0.000 0.974 497 S CB -0.305 62.677 63.200 -0.363 0.000 0.800 497 S HN 0.491 nan 8.310 nan 0.000 0.484 498 T N 2.941 117.336 114.554 -0.266 0.000 2.788 498 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 498 T C 1.672 176.284 174.700 -0.147 0.000 1.044 498 T CA 0.872 62.857 62.100 -0.192 0.000 1.139 498 T CB -0.339 68.423 68.868 -0.178 0.000 0.867 498 T HN 0.284 nan 8.240 nan 0.000 0.454 499 L N 0.643 121.755 121.223 -0.184 0.000 2.109 499 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 499 L C 2.614 179.435 176.870 -0.082 0.000 1.086 499 L CA 0.697 55.432 54.840 -0.175 0.000 0.760 499 L CB -0.678 41.216 42.059 -0.275 0.000 0.910 499 L HN 0.155 nan 8.230 nan 0.000 0.437 500 V N -0.266 119.571 119.914 -0.129 0.000 2.343 500 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 500 V C 2.429 178.454 176.094 -0.116 0.000 1.051 500 V CA 1.303 63.499 62.300 -0.173 0.000 1.036 500 V CB -0.393 31.247 31.823 -0.305 0.000 0.654 500 V HN 0.250 nan 8.190 nan 0.000 0.451 501 L N 0.433 121.614 121.223 -0.070 0.000 2.083 501 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 501 L C 2.184 179.162 176.870 0.179 0.000 1.083 501 L CA 2.180 57.079 54.840 0.099 0.000 0.752 501 L CB -1.132 40.957 42.059 0.050 0.000 0.899 501 L HN 0.473 nan 8.230 nan 0.000 0.433 502 D N -1.340 119.109 120.400 0.082 0.000 2.097 502 D HA -0.245 4.395 4.640 -0.000 0.000 0.195 502 D C 2.168 178.520 176.300 0.086 0.000 0.989 502 D CA 1.081 55.133 54.000 0.086 0.000 0.827 502 D CB 0.134 40.998 40.800 0.107 0.000 0.966 502 D HN 0.154 nan 8.370 nan 0.000 0.456 503 Q N -1.040 118.812 119.800 0.088 0.000 2.170 503 Q HA -0.058 4.282 4.340 -0.000 0.000 0.203 503 Q C 1.526 177.563 176.000 0.062 0.000 0.976 503 Q CA 1.235 57.072 55.803 0.056 0.000 0.858 503 Q CB -0.551 28.210 28.738 0.037 0.000 0.907 503 Q HN 0.545 nan 8.270 nan 0.000 0.433 504 W N 0.782 122.004 121.300 -0.129 0.000 2.358 504 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 504 W C 1.373 177.880 176.519 -0.020 0.000 1.208 504 W CA 1.633 58.918 57.345 -0.100 0.000 1.274 504 W CB -0.516 28.901 29.460 -0.072 0.000 1.138 504 W HN 0.193 nan 8.180 nan 0.000 0.515 505 N N 0.402 119.063 118.700 -0.064 0.000 2.166 505 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 505 N C 1.893 177.307 175.510 -0.159 0.000 1.019 505 N CA 1.929 54.852 53.050 -0.211 0.000 0.856 505 N CB -1.032 37.402 38.487 -0.087 0.000 0.993 505 N HN 0.268 nan 8.380 nan 0.000 0.426 506 L N 0.807 121.980 121.223 -0.083 0.000 2.191 506 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 506 L C 1.705 178.529 176.870 -0.076 0.000 1.103 506 L CA 0.778 55.575 54.840 -0.072 0.000 0.769 506 L CB -0.351 41.677 42.059 -0.052 0.000 0.908 506 L HN 0.260 nan 8.230 nan 0.000 0.438 507 M N -1.331 118.221 119.600 -0.079 0.000 2.756 507 M HA 0.310 4.790 4.480 -0.000 0.000 0.320 507 M C -0.060 176.185 176.300 -0.092 0.000 1.245 507 M CA -0.103 55.160 55.300 -0.062 0.000 0.972 507 M CB 0.459 33.046 32.600 -0.021 0.000 1.327 507 M HN -0.003 nan 8.290 nan 0.000 0.505 508 R N 1.050 121.458 120.500 -0.152 0.000 3.532 508 R HA -0.154 4.186 4.340 -0.000 0.000 0.284 508 R C -0.845 175.304 176.300 -0.251 0.000 1.140 508 R CA 0.759 56.753 56.100 -0.176 0.000 0.768 508 R CB -2.586 27.656 30.300 -0.096 0.000 1.252 508 R HN 0.802 nan 8.270 nan 0.000 0.454 509 Q N -2.250 117.243 119.800 -0.512 0.000 2.448 509 Q HA -0.174 4.166 4.340 -0.000 0.000 0.356 509 Q C -2.118 173.846 176.000 -0.060 0.000 1.430 509 Q CA 0.649 55.891 55.803 -0.936 0.000 1.011 509 Q CB -0.670 27.374 28.738 -1.156 0.000 1.203 509 Q HN 0.394 nan 8.270 nan 0.000 0.351 510 P HA 0.021 nan 4.420 nan 0.000 0.274 510 P C -0.276 177.100 177.300 0.127 0.000 1.246 510 P CA -0.170 63.064 63.100 0.224 0.000 0.795 510 P CB 0.626 32.450 31.700 0.207 0.000 1.006 511 R N 2.113 122.386 120.500 -0.379 0.000 2.489 511 R HA 0.060 4.400 4.340 -0.000 0.000 0.287 511 R C -1.384 174.525 176.300 -0.651 0.000 1.053 511 R CA -1.111 54.490 56.100 -0.832 0.000 1.036 511 R CB -0.196 29.726 30.300 -0.629 0.000 0.966 511 R HN 0.331 nan 8.270 nan 0.000 0.432 512 P HA -0.210 nan 4.420 nan 0.000 0.217 512 P C 0.116 176.904 177.300 -0.854 0.000 1.148 512 P CA 1.420 63.471 63.100 -1.750 0.000 0.834 512 P CB 0.124 30.627 31.700 -1.995 0.000 0.783 513 D N -1.590 118.481 120.400 -0.548 0.000 2.328 513 D HA -0.007 4.633 4.640 -0.000 0.000 0.221 513 D C 0.294 176.555 176.300 -0.064 0.000 1.072 513 D CA 0.070 53.962 54.000 -0.179 0.000 0.850 513 D CB -0.513 40.265 40.800 -0.036 0.000 0.922 513 D HN 0.159 nan 8.370 nan 0.000 0.516 514 S N -0.492 115.172 115.700 -0.061 0.000 2.672 514 S HA 0.238 4.708 4.470 -0.000 0.000 0.276 514 S C 0.975 175.625 174.600 0.085 0.000 1.207 514 S CA -0.706 57.504 58.200 0.017 0.000 1.002 514 S CB 1.943 65.150 63.200 0.011 0.000 0.998 514 S HN 0.010 nan 8.310 nan 0.000 0.542 515 E N 0.517 120.757 120.200 0.066 0.000 2.204 515 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 515 E C 1.543 178.196 176.600 0.088 0.000 0.990 515 E CA 1.248 57.689 56.400 0.068 0.000 0.821 515 E CB -0.117 29.607 29.700 0.040 0.000 0.750 515 E HN 0.716 nan 8.360 nan 0.000 0.477 516 E N 0.260 120.519 120.200 0.099 0.000 2.072 516 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 516 E C 1.547 178.242 176.600 0.157 0.000 0.985 516 E CA 0.772 57.235 56.400 0.104 0.000 0.801 516 E CB -0.231 29.526 29.700 0.094 0.000 0.750 516 E HN 0.219 nan 8.360 nan 0.000 0.452 517 F N 1.117 121.106 119.950 0.065 0.000 2.186 517 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 517 F C 2.036 177.961 175.800 0.209 0.000 1.090 517 F CA 1.138 59.196 58.000 0.095 0.000 1.307 517 F CB 0.206 39.196 39.000 -0.016 0.000 1.019 517 F HN -0.150 nan 8.300 nan 0.000 0.489 518 K N 0.545 121.151 120.400 0.344 0.000 2.211 518 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 518 K C 2.173 178.815 176.600 0.071 0.000 1.050 518 K CA 1.327 57.755 56.287 0.235 0.000 0.945 518 K CB -0.495 32.079 32.500 0.124 0.000 0.732 518 K HN 0.319 nan 8.250 nan 0.000 0.451 519 S N -0.283 115.455 115.700 0.062 0.000 2.474 519 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 519 S C 1.853 176.458 174.600 0.008 0.000 0.997 519 S CA 0.721 58.930 58.200 0.014 0.000 0.949 519 S CB -0.564 62.646 63.200 0.017 0.000 0.766 519 S HN 0.314 nan 8.310 nan 0.000 0.517 520 I N 2.831 123.422 120.570 0.034 0.000 2.286 520 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 520 I C 2.847 179.015 176.117 0.084 0.000 1.115 520 I CA 1.811 63.134 61.300 0.038 0.000 1.392 520 I CB -0.499 37.453 38.000 -0.079 0.000 1.065 520 I HN 0.583 nan 8.210 nan 0.000 0.418 521 E N 1.011 121.226 120.200 0.025 0.000 2.150 521 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 521 E C 1.586 178.132 176.600 -0.089 0.000 0.985 521 E CA 1.763 58.082 56.400 -0.134 0.000 0.814 521 E CB -0.369 28.988 29.700 -0.573 0.000 0.752 521 E HN 0.479 nan 8.360 nan 0.000 0.466 522 D N 0.873 121.229 120.400 -0.074 0.000 2.149 522 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 522 D C 1.801 178.090 176.300 -0.018 0.000 0.972 522 D CA 1.155 55.126 54.000 -0.048 0.000 0.835 522 D CB 0.143 40.917 40.800 -0.044 0.000 0.966 522 D HN 0.117 nan 8.370 nan 0.000 0.476 523 K N -0.604 119.795 120.400 -0.003 0.000 2.097 523 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 523 K C 1.711 178.334 176.600 0.039 0.000 1.050 523 K CA 0.845 57.141 56.287 0.015 0.000 0.938 523 K CB 0.125 32.636 32.500 0.019 0.000 0.718 523 K HN 0.264 nan 8.250 nan 0.000 0.442 524 L N -1.341 119.909 121.223 0.046 0.000 2.701 524 L HA 0.221 4.561 4.340 -0.000 0.000 0.238 524 L C 0.894 177.797 176.870 0.055 0.000 1.106 524 L CA 0.100 54.981 54.840 0.070 0.000 0.898 524 L CB 0.648 42.750 42.059 0.072 0.000 1.188 524 L HN 0.335 nan 8.230 nan 0.000 0.508 525 G N 1.767 110.578 108.800 0.019 0.000 2.176 525 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 525 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 525 G C -0.022 174.873 174.900 -0.008 0.000 1.024 525 G CA 0.069 45.170 45.100 0.002 0.000 0.755 525 G HN 0.305 nan 8.290 nan 0.000 0.507 526 I N 0.617 121.178 120.570 -0.015 0.000 2.382 526 I HA 0.258 4.428 4.170 -0.000 0.000 0.285 526 I C -0.375 175.716 176.117 -0.045 0.000 1.007 526 I CA -1.117 60.173 61.300 -0.018 0.000 1.142 526 I CB 1.350 39.350 38.000 0.001 0.000 1.289 526 I HN -0.036 nan 8.210 nan 0.000 0.453 527 N N 7.345 125.995 118.700 -0.084 0.000 2.520 527 N HA 0.547 5.287 4.740 -0.000 0.000 0.273 527 N C -0.816 174.658 175.510 -0.061 0.000 1.155 527 N CA 0.090 53.037 53.050 -0.172 0.000 0.967 527 N CB 0.607 39.023 38.487 -0.118 0.000 1.092 527 N HN 0.464 nan 8.380 nan 0.000 0.457 528 F N -1.593 118.331 119.950 -0.044 0.000 2.662 528 F HA 0.721 5.248 4.527 -0.000 0.000 0.312 528 F C -0.821 174.971 175.800 -0.013 0.000 1.113 528 F CA -1.331 56.647 58.000 -0.037 0.000 0.951 528 F CB 1.712 40.685 39.000 -0.045 0.000 1.344 528 F HN 0.316 nan 8.300 nan 0.000 0.462 529 K N 1.000 121.581 120.400 0.303 0.000 2.536 529 K HA 0.658 4.978 4.320 -0.000 0.000 0.269 529 K C -1.916 174.767 176.600 0.137 0.000 0.965 529 K CA -0.876 55.524 56.287 0.189 0.000 0.860 529 K CB 2.738 35.284 32.500 0.077 0.000 1.423 529 K HN 0.797 nan 8.250 nan 0.000 0.438 530 I N 2.329 122.955 120.570 0.093 0.000 2.322 530 I HA 0.047 4.217 4.170 -0.000 0.000 0.292 530 I C 1.024 177.164 176.117 0.040 0.000 1.060 530 I CA -0.189 61.133 61.300 0.037 0.000 1.309 530 I CB 1.272 39.298 38.000 0.042 0.000 1.415 530 I HN 0.842 nan 8.210 nan 0.000 0.492 531 E N 5.888 126.103 120.200 0.025 0.000 2.170 531 E HA 0.075 4.425 4.350 -0.000 0.000 0.191 531 E C 0.416 177.047 176.600 0.053 0.000 0.981 531 E CA 0.868 57.291 56.400 0.039 0.000 0.830 531 E CB 0.438 30.160 29.700 0.037 0.000 0.775 531 E HN 0.527 nan 8.360 nan 0.000 0.470 532 R N -0.658 119.874 120.500 0.054 0.000 2.594 532 R HA 0.405 4.745 4.340 -0.000 0.000 0.265 532 R C -1.769 174.556 176.300 0.043 0.000 1.070 532 R CA -0.114 56.031 56.100 0.074 0.000 0.909 532 R CB 1.464 31.846 30.300 0.136 0.000 1.243 532 R HN 0.108 nan 8.270 nan 0.000 0.455 533 S N 3.884 119.592 115.700 0.014 0.000 2.540 533 S HA 0.625 5.095 4.470 -0.000 0.000 0.275 533 S C -0.776 173.791 174.600 -0.055 0.000 1.123 533 S CA -0.797 57.329 58.200 -0.124 0.000 0.907 533 S CB 1.417 64.466 63.200 -0.251 0.000 1.081 533 S HN 0.492 nan 8.310 nan 0.000 0.476 534 I N 2.675 123.219 120.570 -0.043 0.000 2.439 534 I HA 0.345 4.515 4.170 -0.000 0.000 0.283 534 I C -0.737 175.357 176.117 -0.037 0.000 1.023 534 I CA -0.626 60.680 61.300 0.010 0.000 1.100 534 I CB 1.583 39.632 38.000 0.083 0.000 1.238 534 I HN 0.625 nan 8.210 nan 0.000 0.445 535 D N 4.472 124.846 120.400 -0.043 0.000 2.357 535 D HA 0.012 4.652 4.640 -0.000 0.000 0.242 535 D C 0.353 176.651 176.300 -0.005 0.000 1.153 535 D CA 0.441 54.423 54.000 -0.029 0.000 0.918 535 D CB 0.792 41.583 40.800 -0.015 0.000 1.181 535 D HN 0.611 nan 8.370 nan 0.000 0.435 536 D N 0.521 120.924 120.400 0.006 0.000 2.697 536 D HA -0.227 4.413 4.640 -0.000 0.000 0.235 536 D C 0.817 177.118 176.300 0.002 0.000 1.167 536 D CA 0.046 54.051 54.000 0.008 0.000 0.656 536 D CB -0.972 39.831 40.800 0.005 0.000 1.025 536 D HN 0.347 nan 8.370 nan 0.000 0.419 537 I N 0.888 121.466 120.570 0.012 0.000 2.226 537 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 537 I C 2.289 178.386 176.117 -0.034 0.000 1.100 537 I CA 1.581 62.880 61.300 -0.002 0.000 1.374 537 I CB -0.091 37.945 38.000 0.060 0.000 1.057 537 I HN 0.244 nan 8.210 nan 0.000 0.413 538 R N 0.024 120.512 120.500 -0.019 0.000 2.066 538 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 538 R C 2.359 178.643 176.300 -0.026 0.000 1.131 538 R CA 1.322 57.402 56.100 -0.033 0.000 0.955 538 R CB -1.088 29.198 30.300 -0.023 0.000 0.851 538 R HN 0.537 nan 8.270 nan 0.000 0.432 539 G N 1.517 110.308 108.800 -0.015 0.000 2.446 539 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 539 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 539 G C 1.253 176.148 174.900 -0.010 0.000 1.168 539 G CA 0.822 45.916 45.100 -0.010 0.000 0.771 539 G HN 0.256 nan 8.290 nan 0.000 0.551 540 K N -0.267 120.125 120.400 -0.014 0.000 2.097 540 K HA 0.112 4.432 4.320 -0.000 0.000 0.206 540 K C 2.500 179.095 176.600 -0.009 0.000 1.049 540 K CA 0.603 56.883 56.287 -0.012 0.000 0.933 540 K CB -0.215 32.273 32.500 -0.020 0.000 0.717 540 K HN 0.268 nan 8.250 nan 0.000 0.442 541 L N 0.350 121.551 121.223 -0.037 0.000 2.109 541 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 541 L C 2.378 179.293 176.870 0.075 0.000 1.086 541 L CA 1.074 55.889 54.840 -0.042 0.000 0.760 541 L CB -0.219 41.725 42.059 -0.191 0.000 0.910 541 L HN 0.112 nan 8.230 nan 0.000 0.437 542 R N -0.554 119.968 120.500 0.036 0.000 2.115 542 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 542 R C 2.198 178.498 176.300 0.000 0.000 1.111 542 R CA 0.798 56.919 56.100 0.035 0.000 0.976 542 R CB -0.141 30.162 30.300 0.004 0.000 0.870 542 R HN 0.361 nan 8.270 nan 0.000 0.445 543 Q N 0.627 120.431 119.800 0.006 0.000 2.297 543 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 543 Q C 2.160 178.162 176.000 0.003 0.000 0.962 543 Q CA 0.834 56.634 55.803 -0.005 0.000 0.879 543 Q CB 0.009 28.748 28.738 0.002 0.000 0.947 543 Q HN 0.420 nan 8.270 nan 0.000 0.462 544 L N -0.309 120.943 121.223 0.048 0.000 2.083 544 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 544 L C 2.295 179.167 176.870 0.004 0.000 1.083 544 L CA 0.789 55.684 54.840 0.091 0.000 0.752 544 L CB -0.599 41.605 42.059 0.242 0.000 0.899 544 L HN 0.031 nan 8.230 nan 0.000 0.433 545 V N -0.189 119.595 119.914 -0.216 0.000 2.295 545 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 545 V C 2.333 178.281 176.094 -0.244 0.000 1.049 545 V CA 1.696 63.624 62.300 -0.621 0.000 1.024 545 V CB -0.429 30.906 31.823 -0.813 0.000 0.648 545 V HN 0.314 nan 8.190 nan 0.000 0.447 546 L N -0.586 120.556 121.223 -0.136 0.000 2.072 546 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 546 L C 1.814 178.672 176.870 -0.020 0.000 1.079 546 L CA 1.895 56.696 54.840 -0.065 0.000 0.752 546 L CB -0.204 41.826 42.059 -0.049 0.000 0.906 546 L HN 0.220 nan 8.230 nan 0.000 0.436 547 L N -0.091 121.130 121.223 -0.004 0.000 2.700 547 L HA 0.358 4.698 4.340 -0.000 0.000 0.234 547 L C 0.819 177.711 176.870 0.036 0.000 1.156 547 L CA -0.315 54.534 54.840 0.015 0.000 0.946 547 L CB -0.504 41.563 42.059 0.014 0.000 1.216 547 L HN 0.161 nan 8.230 nan 0.000 0.493 548 A N 0.840 123.698 122.820 0.063 0.000 2.548 548 A HA 0.149 4.469 4.320 -0.000 0.000 0.247 548 A C 0.339 177.960 177.584 0.062 0.000 1.067 548 A CA 0.179 52.274 52.037 0.096 0.000 0.757 548 A CB 0.093 19.204 19.000 0.185 0.000 0.996 548 A HN 0.256 nan 8.150 nan 0.000 0.504 549 Q N 2.185 122.012 119.800 0.045 0.000 2.227 549 Q HA 0.391 4.731 4.340 -0.000 0.000 0.245 549 Q C -2.292 173.722 176.000 0.023 0.000 0.926 549 Q CA -1.892 53.925 55.803 0.023 0.000 0.895 549 Q CB 0.832 29.572 28.738 0.004 0.000 1.230 549 Q HN 0.574 nan 8.270 nan 0.000 0.450 550 P HA 0.194 nan 4.420 nan 0.000 0.268 550 P C -0.347 176.940 177.300 -0.023 0.000 1.204 550 P CA 0.259 63.357 63.100 -0.004 0.000 0.768 550 P CB 0.735 32.426 31.700 -0.015 0.000 0.842 551 G N 0.893 109.679 108.800 -0.024 0.000 2.494 551 G HA2 0.186 4.146 3.960 -0.000 0.000 0.308 551 G HA3 0.186 4.146 3.960 -0.000 0.000 0.308 551 G C -0.414 174.456 174.900 -0.051 0.000 1.263 551 G CA -0.455 44.602 45.100 -0.072 0.000 0.840 551 G HN 0.207 nan 8.290 nan 0.000 0.479 552 Y N -0.223 120.124 120.300 0.078 0.000 2.256 552 Y HA 0.096 4.646 4.550 -0.000 0.000 0.288 552 Y C 2.512 178.341 175.900 -0.118 0.000 1.155 552 Y CA 1.372 59.450 58.100 -0.036 0.000 1.203 552 Y CB -0.148 38.260 38.460 -0.086 0.000 0.980 552 Y HN 0.133 nan 8.280 nan 0.000 0.530 553 L N -1.373 119.864 121.223 0.024 0.000 2.769 553 L HA 0.217 4.557 4.340 -0.000 0.000 0.240 553 L C -0.077 176.765 176.870 -0.047 0.000 1.163 553 L CA 0.181 54.973 54.840 -0.079 0.000 0.962 553 L CB 0.235 42.178 42.059 -0.194 0.000 1.258 553 L HN -0.165 nan 8.230 nan 0.000 0.513 554 S N -0.209 115.489 115.700 -0.003 0.000 2.381 554 S HA 0.535 5.005 4.470 -0.000 0.000 0.193 554 S C 0.582 175.179 174.600 -0.005 0.000 1.287 554 S CA 0.056 58.251 58.200 -0.008 0.000 1.199 554 S CB 1.434 64.645 63.200 0.018 0.000 1.214 554 S HN 0.417 nan 8.310 nan 0.000 0.444 555 G N 1.186 109.979 108.800 -0.011 0.000 2.232 555 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.226 555 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.226 555 G C 0.850 175.748 174.900 -0.004 0.000 0.996 555 G CA 0.135 45.230 45.100 -0.009 0.000 0.626 555 G HN 1.935 nan 8.290 nan 0.000 0.509 556 G N -1.168 107.636 108.800 0.007 0.000 2.246 556 G HA2 0.174 4.134 3.960 -0.000 0.000 0.273 556 G HA3 0.174 4.134 3.960 -0.000 0.000 0.273 556 G C 0.671 175.602 174.900 0.052 0.000 1.055 556 G CA 1.331 46.455 45.100 0.041 0.000 0.851 556 G HN 2.278 nan 8.290 nan 0.000 0.500 557 V N -3.806 116.101 119.914 -0.013 0.000 3.046 557 V HA 0.811 4.931 4.120 -0.000 0.000 0.316 557 V C 0.464 176.394 176.094 -0.273 0.000 1.104 557 V CA -1.427 60.835 62.300 -0.064 0.000 1.006 557 V CB 1.988 33.778 31.823 -0.056 0.000 1.058 557 V HN 0.366 nan 8.190 nan 0.000 0.440 558 E N 3.353 123.413 120.200 -0.233 0.000 2.351 558 E HA 0.246 4.596 4.350 -0.000 0.000 0.266 558 E C -2.228 174.203 176.600 -0.282 0.000 1.031 558 E CA -1.503 54.678 56.400 -0.365 0.000 0.911 558 E CB 0.737 30.378 29.700 -0.097 0.000 0.986 558 E HN 0.685 nan 8.360 nan 0.000 0.446 559 P HA -0.027 nan 4.420 nan 0.000 0.271 559 P C -0.531 176.722 177.300 -0.079 0.000 1.216 559 P CA 0.310 63.310 63.100 -0.167 0.000 0.776 559 P CB 0.806 32.422 31.700 -0.141 0.000 0.881 560 E N 1.159 121.330 120.200 -0.048 0.000 2.473 560 E HA 0.085 4.435 4.350 -0.000 0.000 0.204 560 E C 0.345 176.946 176.600 0.001 0.000 0.994 560 E CA -0.247 56.144 56.400 -0.016 0.000 0.945 560 E CB 0.560 30.249 29.700 -0.018 0.000 0.990 560 E HN 0.443 nan 8.360 nan 0.000 0.493 561 Q N 1.447 121.241 119.800 -0.010 0.000 2.345 561 Q HA 0.267 4.607 4.340 -0.000 0.000 0.275 561 Q C -1.209 174.772 176.000 -0.032 0.000 1.063 561 Q CA -0.797 55.005 55.803 -0.002 0.000 0.819 561 Q CB 2.162 30.900 28.738 -0.000 0.000 1.356 561 Q HN 0.209 nan 8.270 nan 0.000 0.418 562 S N 1.436 117.113 115.700 -0.038 0.000 2.549 562 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 562 S C 0.011 174.541 174.600 -0.117 0.000 1.321 562 S CA -0.484 57.629 58.200 -0.145 0.000 1.054 562 S CB 1.545 64.640 63.200 -0.176 0.000 0.899 562 S HN 0.482 nan 8.310 nan 0.000 0.497 563 S N 3.411 119.018 115.700 -0.156 0.000 2.565 563 S HA 0.450 4.920 4.470 -0.000 0.000 0.274 563 S C -2.483 172.074 174.600 -0.071 0.000 1.309 563 S CA -1.515 56.643 58.200 -0.070 0.000 1.043 563 S CB -0.079 63.112 63.200 -0.015 0.000 0.939 563 S HN 0.661 nan 8.310 nan 0.000 0.504 564 P HA 0.168 nan 4.420 nan 0.000 0.266 564 P C -0.820 176.499 177.300 0.032 0.000 1.195 564 P CA -0.035 63.074 63.100 0.015 0.000 0.768 564 P CB 0.485 32.204 31.700 0.032 0.000 0.838 565 T N -0.752 113.826 114.554 0.039 0.000 2.912 565 T HA 0.551 4.901 4.350 -0.000 0.000 0.299 565 T C -0.802 173.928 174.700 0.050 0.000 1.052 565 T CA -0.772 61.362 62.100 0.056 0.000 0.996 565 T CB 0.887 69.791 68.868 0.060 0.000 1.070 565 T HN 0.008 nan 8.240 nan 0.000 0.465 566 V N 2.904 122.840 119.914 0.037 0.000 2.398 566 V HA 0.402 4.521 4.120 -0.000 0.000 0.286 566 V C 0.131 176.204 176.094 -0.034 0.000 1.026 566 V CA -0.681 61.611 62.300 -0.012 0.000 0.868 566 V CB 1.588 33.375 31.823 -0.060 0.000 0.982 566 V HN 0.959 nan 8.190 nan 0.000 0.443 567 E N 5.449 125.635 120.200 -0.023 0.000 2.341 567 E HA 0.149 4.499 4.350 -0.000 0.000 0.279 567 E C 0.937 177.551 176.600 0.024 0.000 1.395 567 E CA -0.169 56.234 56.400 0.006 0.000 1.648 567 E CB 0.473 30.203 29.700 0.051 0.000 1.524 567 E HN 0.630 nan 8.360 nan 0.000 0.462 568 L N -0.350 120.807 121.223 -0.109 0.000 2.265 568 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 568 L C 0.890 177.956 176.870 0.328 0.000 1.117 568 L CA 0.569 55.409 54.840 -0.000 0.000 0.782 568 L CB -0.759 40.856 42.059 -0.740 0.000 0.914 568 L HN 0.207 nan 8.230 nan 0.000 0.441 569 D N -0.098 120.411 120.400 0.181 0.000 2.699 569 D HA -0.217 4.422 4.640 -0.000 0.000 0.239 569 D C -0.079 176.390 176.300 0.281 0.000 1.136 569 D CA 0.330 54.464 54.000 0.223 0.000 0.668 569 D CB -0.863 40.087 40.800 0.251 0.000 1.060 569 D HN 0.217 nan 8.370 nan 0.000 0.429 570 L N 1.306 122.608 121.223 0.132 0.000 2.462 570 L HA 0.322 4.662 4.340 -0.000 0.000 0.283 570 L C 0.689 177.648 176.870 0.147 0.000 1.166 570 L CA 0.036 54.828 54.840 -0.080 0.000 0.964 570 L CB -0.194 41.753 42.059 -0.186 0.000 1.294 570 L HN 0.382 nan 8.230 nan 0.000 0.449 571 L N 5.193 126.542 121.223 0.210 0.000 3.737 571 L HA -0.307 4.033 4.340 -0.000 0.000 0.418 571 L C 1.168 178.048 176.870 0.016 0.000 1.216 571 L CA 0.568 55.526 54.840 0.196 0.000 0.915 571 L CB -2.287 39.879 42.059 0.179 0.000 1.834 571 L HN 1.009 nan 8.230 nan 0.000 0.943 572 G N -2.762 106.011 108.800 -0.045 0.000 2.176 572 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 572 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 572 G C -0.282 174.343 174.900 -0.458 0.000 0.986 572 G CA -0.004 44.914 45.100 -0.304 0.000 0.643 572 G HN 0.373 nan 8.290 nan 0.000 0.522 573 W N 1.146 122.484 121.300 0.062 0.000 2.606 573 W HA 0.742 5.401 4.660 -0.000 0.000 0.332 573 W C 0.437 176.962 176.519 0.009 0.000 1.052 573 W CA -0.717 56.644 57.345 0.027 0.000 1.223 573 W CB 1.800 31.260 29.460 -0.001 0.000 1.383 573 W HN 0.136 nan 8.180 nan 0.000 0.524 574 S N 1.143 117.011 115.700 0.281 0.000 2.722 574 S HA 0.847 5.317 4.470 -0.000 0.000 0.292 574 S C -0.447 174.239 174.600 0.142 0.000 1.135 574 S CA -0.847 57.443 58.200 0.150 0.000 1.003 574 S CB 1.459 64.740 63.200 0.135 0.000 1.067 574 S HN 0.522 nan 8.310 nan 0.000 0.546 575 A N 0.910 123.772 122.820 0.070 0.000 2.330 575 A HA 0.801 5.121 4.320 -0.000 0.000 0.327 575 A C -0.174 177.512 177.584 0.170 0.000 1.155 575 A CA -0.555 51.544 52.037 0.103 0.000 0.803 575 A CB 1.396 20.388 19.000 -0.014 0.000 1.208 575 A HN 0.620 nan 8.150 nan 0.000 0.477 576 T N 0.063 114.772 114.554 0.259 0.000 2.864 576 T HA 0.544 4.894 4.350 -0.000 0.000 0.299 576 T C -1.910 172.990 174.700 0.334 0.000 1.166 576 T CA -0.246 62.015 62.100 0.270 0.000 1.007 576 T CB 1.063 70.038 68.868 0.179 0.000 1.219 576 T HN 0.595 nan 8.240 nan 0.000 0.506 577 Y N 1.834 122.196 120.300 0.102 0.000 2.330 577 Y HA 0.620 5.170 4.550 -0.000 0.000 0.336 577 Y C 0.122 176.009 175.900 -0.022 0.000 1.036 577 Y CA -0.481 57.570 58.100 -0.081 0.000 1.125 577 Y CB 1.414 39.737 38.460 -0.229 0.000 1.194 577 Y HN 0.505 nan 8.280 nan 0.000 0.469 578 S N 5.461 120.768 115.700 -0.655 0.000 2.438 578 S HA 0.295 4.765 4.470 -0.000 0.000 0.293 578 S C 0.602 174.762 174.600 -0.735 0.000 1.141 578 S CA -0.594 57.316 58.200 -0.484 0.000 1.080 578 S CB 0.708 63.717 63.200 -0.319 0.000 0.978 578 S HN 0.932 nan 8.310 nan 0.000 0.479 579 K N 2.886 123.095 120.400 -0.318 0.000 2.186 579 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 579 K C 0.787 177.306 176.600 -0.136 0.000 1.052 579 K CA 0.884 57.076 56.287 -0.158 0.000 0.965 579 K CB 0.020 32.522 32.500 0.004 0.000 0.746 579 K HN 0.587 nan 8.250 nan 0.000 0.457 580 D N 1.075 121.394 120.400 -0.135 0.000 2.117 580 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 580 D C 1.770 177.997 176.300 -0.122 0.000 0.982 580 D CA 1.127 55.064 54.000 -0.104 0.000 0.828 580 D CB 0.067 40.812 40.800 -0.092 0.000 0.967 580 D HN 0.137 nan 8.370 nan 0.000 0.464 581 L N -1.071 120.045 121.223 -0.178 0.000 2.408 581 L HA 0.222 4.562 4.340 -0.000 0.000 0.215 581 L C 1.443 178.208 176.870 -0.176 0.000 1.081 581 L CA 0.469 55.211 54.840 -0.163 0.000 0.840 581 L CB 0.081 42.041 42.059 -0.166 0.000 1.002 581 L HN 0.116 nan 8.230 nan 0.000 0.468 582 G N 1.683 110.309 108.800 -0.291 0.000 2.147 582 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 582 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 582 G C 0.083 174.859 174.900 -0.208 0.000 1.005 582 G CA 0.639 45.608 45.100 -0.219 0.000 0.713 582 G HN 0.466 nan 8.290 nan 0.000 0.515 583 I N -4.861 115.451 120.570 -0.429 0.000 3.354 583 I HA 0.811 4.981 4.170 -0.000 0.000 0.316 583 I C -0.411 175.517 176.117 -0.315 0.000 1.182 583 I CA -2.383 58.798 61.300 -0.199 0.000 0.942 583 I CB 1.062 39.040 38.000 -0.036 0.000 1.299 583 I HN -0.122 nan 8.210 nan 0.000 0.473 584 Y N 2.103 122.446 120.300 0.072 0.000 2.336 584 Y HA 0.540 5.090 4.550 -0.000 0.000 0.335 584 Y C 0.410 176.330 175.900 0.033 0.000 1.046 584 Y CA -0.464 57.696 58.100 0.100 0.000 1.198 584 Y CB 1.353 39.888 38.460 0.126 0.000 1.182 584 Y HN 0.396 nan 8.280 nan 0.000 0.502 585 V N 2.263 122.292 119.914 0.192 0.000 2.834 585 V HA 0.667 4.787 4.120 -0.000 0.000 0.313 585 V C -2.640 173.568 176.094 0.191 0.000 1.060 585 V CA -3.018 59.378 62.300 0.160 0.000 0.989 585 V CB 1.597 33.538 31.823 0.196 0.000 1.041 585 V HN 0.523 nan 8.190 nan 0.000 0.459 586 P HA 0.465 nan 4.420 nan 0.000 0.290 586 P C -1.063 176.426 177.300 0.315 0.000 1.276 586 P CA -0.387 62.735 63.100 0.036 0.000 0.808 586 P CB 1.741 33.113 31.700 -0.546 0.000 0.966 587 V N 4.812 124.962 119.914 0.392 0.000 2.482 587 V HA 0.124 4.244 4.120 -0.000 0.000 0.295 587 V C 0.356 176.706 176.094 0.427 0.000 1.026 587 V CA -1.030 61.501 62.300 0.384 0.000 0.856 587 V CB 1.661 33.576 31.823 0.152 0.000 1.001 587 V HN 0.438 nan 8.190 nan 0.000 0.424 588 L N 4.166 125.641 121.223 0.419 0.000 2.667 588 L HA 0.050 4.390 4.340 -0.000 0.000 0.278 588 L C 0.662 177.553 176.870 0.035 0.000 1.217 588 L CA 0.696 55.557 54.840 0.035 0.000 0.935 588 L CB -0.187 41.801 42.059 -0.119 0.000 1.193 588 L HN 0.850 nan 8.230 nan 0.000 0.493 589 D N 3.491 123.872 120.400 -0.032 0.000 2.752 589 D HA -0.157 4.483 4.640 -0.000 0.000 0.225 589 D C 1.250 177.575 176.300 0.043 0.000 1.104 589 D CA 0.899 54.914 54.000 0.025 0.000 0.832 589 D CB 0.656 41.456 40.800 -0.000 0.000 1.161 589 D HN 0.638 nan 8.370 nan 0.000 0.505 590 K N 2.601 123.041 120.400 0.066 0.000 2.044 590 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 590 K C 1.385 178.027 176.600 0.070 0.000 1.049 590 K CA 1.314 57.619 56.287 0.029 0.000 0.927 590 K CB 0.131 32.618 32.500 -0.023 0.000 0.713 590 K HN 0.506 nan 8.250 nan 0.000 0.443 591 E N 0.466 120.688 120.200 0.037 0.000 2.077 591 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 591 E C 2.150 178.805 176.600 0.092 0.000 0.989 591 E CA 1.142 57.572 56.400 0.050 0.000 0.800 591 E CB -0.139 29.578 29.700 0.028 0.000 0.746 591 E HN 0.361 nan 8.360 nan 0.000 0.452 592 R N 0.338 120.881 120.500 0.070 0.000 2.081 592 R HA -0.109 4.230 4.340 -0.000 0.000 0.235 592 R C 2.509 178.870 176.300 0.102 0.000 1.131 592 R CA 0.898 57.043 56.100 0.075 0.000 0.960 592 R CB -0.472 29.847 30.300 0.031 0.000 0.856 592 R HN 0.086 nan 8.270 nan 0.000 0.436 593 L N -0.003 121.263 121.223 0.071 0.000 2.046 593 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 593 L C 1.737 178.588 176.870 -0.031 0.000 1.077 593 L CA 1.744 56.589 54.840 0.008 0.000 0.747 593 L CB -0.287 41.732 42.059 -0.066 0.000 0.896 593 L HN -0.011 nan 8.230 nan 0.000 0.432 594 F N -1.602 118.316 119.950 -0.053 0.000 2.416 594 F HA -0.074 4.453 4.527 -0.000 0.000 0.296 594 F C 2.487 178.296 175.800 0.016 0.000 1.099 594 F CA 0.911 58.887 58.000 -0.041 0.000 1.427 594 F CB -0.798 38.147 39.000 -0.092 0.000 1.079 594 F HN 0.154 nan 8.300 nan 0.000 0.536 595 C N -1.231 118.186 119.300 0.194 0.000 2.432 595 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 595 C C 3.146 178.228 174.990 0.154 0.000 1.249 595 C CA 1.496 60.614 59.018 0.167 0.000 1.725 595 C CB -1.176 26.644 27.740 0.133 0.000 2.028 595 C HN 0.510 nan 8.230 nan 0.000 0.477 596 S N 0.672 116.452 115.700 0.133 0.000 2.382 596 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 596 S C 2.012 176.654 174.600 0.068 0.000 1.027 596 S CA 1.555 59.827 58.200 0.121 0.000 0.991 596 S CB -0.314 63.047 63.200 0.269 0.000 0.823 596 S HN 0.597 nan 8.310 nan 0.000 0.469 597 A N 1.073 123.910 122.820 0.029 0.000 1.969 597 A HA 0.264 4.584 4.320 -0.000 0.000 0.218 597 A C 2.414 179.980 177.584 -0.030 0.000 1.169 597 A CA 1.704 53.722 52.037 -0.031 0.000 0.635 597 A CB -1.203 17.697 19.000 -0.168 0.000 0.810 597 A HN 0.728 nan 8.150 nan 0.000 0.445 598 A N -1.758 121.061 122.820 -0.003 0.000 1.873 598 A HA 0.121 4.441 4.320 -0.000 0.000 0.215 598 A C 0.599 177.997 177.584 -0.309 0.000 1.186 598 A CA 0.865 52.840 52.037 -0.102 0.000 0.616 598 A CB -0.330 18.683 19.000 0.022 0.000 0.823 598 A HN 0.488 nan 8.150 nan 0.000 0.442 599 Y N 0.435 120.740 120.300 0.008 0.000 2.526 599 Y HA 0.350 4.900 4.550 -0.000 0.000 0.328 599 Y C -2.476 173.333 175.900 -0.153 0.000 0.995 599 Y CA -2.927 55.163 58.100 -0.016 0.000 1.304 599 Y CB 1.224 39.722 38.460 0.064 0.000 1.096 599 Y HN 0.165 nan 8.280 nan 0.000 0.499 600 P HA 0.065 nan 4.420 nan 0.000 0.271 600 P C -0.476 176.620 177.300 -0.339 0.000 1.218 600 P CA -0.240 62.757 63.100 -0.171 0.000 0.780 600 P CB 1.367 32.993 31.700 -0.124 0.000 0.901 601 K N 0.961 121.087 120.400 -0.457 0.000 2.138 601 K HA 0.419 4.739 4.320 -0.000 0.000 0.251 601 K C 1.170 177.695 176.600 -0.124 0.000 1.015 601 K CA -0.449 55.489 56.287 -0.581 0.000 0.917 601 K CB 0.298 32.544 32.500 -0.422 0.000 1.021 601 K HN 0.533 nan 8.250 nan 0.000 0.485 602 G N 0.196 109.068 108.800 0.119 0.000 2.535 602 G HA2 0.368 4.328 3.960 -0.000 0.000 0.282 602 G HA3 0.368 4.328 3.960 -0.000 0.000 0.282 602 G C -0.225 174.691 174.900 0.027 0.000 1.350 602 G CA -0.612 44.617 45.100 0.215 0.000 1.039 602 G HN 0.305 nan 8.290 nan 0.000 0.509 603 V N -1.552 118.325 119.914 -0.061 0.000 3.547 603 V HA 0.693 4.813 4.120 -0.000 0.000 0.289 603 V C 1.600 177.696 176.094 0.003 0.000 1.226 603 V CA 0.483 62.677 62.300 -0.177 0.000 0.966 603 V CB 1.147 32.685 31.823 -0.475 0.000 1.255 603 V HN 1.013 nan 8.190 nan 0.000 0.466 604 E N -0.939 119.273 120.200 0.020 0.000 2.279 604 E HA 0.429 4.779 4.350 -0.000 0.000 0.199 604 E C 0.540 177.174 176.600 0.056 0.000 0.893 604 E CA 1.038 57.480 56.400 0.070 0.000 0.978 604 E CB -0.322 29.431 29.700 0.087 0.000 0.964 604 E HN 1.171 nan 8.360 nan 0.000 0.486 605 N N -2.364 116.362 118.700 0.043 0.000 3.116 605 N HA 0.703 5.443 4.740 -0.000 0.000 0.244 605 N C -0.914 174.625 175.510 0.048 0.000 1.485 605 N CA 0.210 53.284 53.050 0.041 0.000 0.884 605 N CB 1.215 39.731 38.487 0.049 0.000 1.415 605 N HN 0.997 nan 8.380 nan 0.000 0.524 606 K N -0.092 120.340 120.400 0.053 0.000 2.618 606 K HA 0.836 5.156 4.320 -0.000 0.000 0.322 606 K C -0.282 176.358 176.600 0.067 0.000 1.267 606 K CA 0.220 56.554 56.287 0.078 0.000 1.083 606 K CB 0.256 32.800 32.500 0.073 0.000 1.386 606 K HN 2.196 nan 8.250 nan 0.000 0.509 607 S N 1.061 116.799 115.700 0.064 0.000 2.414 607 S HA 0.755 5.225 4.470 -0.000 0.000 0.290 607 S C 1.509 176.146 174.600 0.061 0.000 1.160 607 S CA 0.713 58.944 58.200 0.052 0.000 1.069 607 S CB -0.752 62.482 63.200 0.056 0.000 1.012 607 S HN 2.408 nan 8.310 nan 0.000 0.510 608 L N -1.205 120.052 121.223 0.057 0.000 4.759 608 L HA 0.116 4.456 4.340 -0.000 0.000 0.419 608 L C 1.106 178.025 176.870 0.083 0.000 1.093 608 L CA 2.315 57.192 54.840 0.061 0.000 1.037 608 L CB -2.873 39.218 42.059 0.052 0.000 2.095 608 L HN 1.708 nan 8.230 nan 0.000 0.739 609 K N -0.520 119.942 120.400 0.104 0.000 2.397 609 K HA 0.503 4.823 4.320 -0.000 0.000 0.265 609 K C 1.764 178.435 176.600 0.118 0.000 0.982 609 K CA 0.854 57.226 56.287 0.142 0.000 0.931 609 K CB -0.066 32.540 32.500 0.177 0.000 0.943 609 K HN 1.756 nan 8.250 nan 0.000 0.501 610 S N 0.962 116.749 115.700 0.145 0.000 2.444 610 S HA -0.137 4.333 4.470 -0.000 0.000 0.244 610 S C 1.935 176.577 174.600 0.070 0.000 1.025 610 S CA 3.355 61.625 58.200 0.117 0.000 0.995 610 S CB -0.947 62.347 63.200 0.157 0.000 0.781 610 S HN 1.894 nan 8.310 nan 0.000 0.496 611 K N -3.297 117.141 120.400 0.064 0.000 3.529 611 K HA -0.218 4.102 4.320 -0.000 0.000 0.313 611 K C 1.038 177.649 176.600 0.018 0.000 1.316 611 K CA 2.015 58.326 56.287 0.040 0.000 0.988 611 K CB -2.786 29.735 32.500 0.035 0.000 1.252 611 K HN 1.417 nan 8.250 nan 0.000 0.438 612 V N -3.434 116.485 119.914 0.008 0.000 3.113 612 V HA 0.571 4.691 4.120 -0.000 0.000 0.252 612 V C 2.240 178.299 176.094 -0.058 0.000 1.681 612 V CA 1.087 63.384 62.300 -0.006 0.000 1.042 612 V CB 0.160 31.999 31.823 0.027 0.000 0.922 612 V HN 1.006 nan 8.190 nan 0.000 0.407 613 G N 0.256 108.987 108.800 -0.114 0.000 2.486 613 G HA2 0.075 4.035 3.960 -0.000 0.000 0.210 613 G HA3 0.075 4.035 3.960 -0.000 0.000 0.210 613 G C 1.379 175.893 174.900 -0.644 0.000 1.168 613 G CA 1.187 46.047 45.100 -0.400 0.000 0.820 613 G HN 0.278 nan 8.290 nan 0.000 0.544 614 I N 2.153 122.555 120.570 -0.280 0.000 2.264 614 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 614 I C 3.126 179.223 176.117 -0.033 0.000 1.111 614 I CA 1.807 63.010 61.300 -0.160 0.000 1.382 614 I CB -1.464 36.632 38.000 0.160 0.000 1.060 614 I HN 0.428 nan 8.210 nan 0.000 0.418 615 E N 0.845 121.031 120.200 -0.024 0.000 2.047 615 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 615 E C 2.013 178.599 176.600 -0.024 0.000 0.987 615 E CA 1.113 57.526 56.400 0.021 0.000 0.799 615 E CB -0.763 28.930 29.700 -0.012 0.000 0.752 615 E HN 0.535 nan 8.360 nan 0.000 0.449 616 Q N -0.671 119.052 119.800 -0.128 0.000 2.226 616 Q HA 0.000 4.340 4.340 -0.000 0.000 0.204 616 Q C 2.496 178.386 176.000 -0.183 0.000 0.975 616 Q CA 1.367 57.092 55.803 -0.130 0.000 0.866 616 Q CB -0.185 28.481 28.738 -0.119 0.000 0.915 616 Q HN 0.614 nan 8.270 nan 0.000 0.440 617 A N -0.416 122.175 122.820 -0.383 0.000 1.929 617 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 617 A C 1.718 179.197 177.584 -0.174 0.000 1.176 617 A CA 0.732 52.480 52.037 -0.482 0.000 0.628 617 A CB -0.629 17.653 19.000 -1.197 0.000 0.816 617 A HN 0.313 nan 8.150 nan 0.000 0.444 618 Y N 0.300 120.564 120.300 -0.060 0.000 2.352 618 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 618 Y C 2.365 178.271 175.900 0.010 0.000 1.136 618 Y CA 1.631 59.788 58.100 0.095 0.000 1.227 618 Y CB 0.020 38.534 38.460 0.090 0.000 0.991 618 Y HN 0.251 nan 8.280 nan 0.000 0.545 619 K N -0.631 119.829 120.400 0.101 0.000 2.097 619 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 619 K C 1.945 178.594 176.600 0.081 0.000 1.050 619 K CA 1.350 57.647 56.287 0.017 0.000 0.938 619 K CB -0.317 32.246 32.500 0.106 0.000 0.718 619 K HN 0.099 nan 8.250 nan 0.000 0.442 620 V N 1.168 121.136 119.914 0.090 0.000 2.287 620 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 620 V C 2.283 178.404 176.094 0.044 0.000 1.053 620 V CA 1.600 63.949 62.300 0.081 0.000 1.027 620 V CB -0.444 31.398 31.823 0.031 0.000 0.646 620 V HN 0.075 nan 8.190 nan 0.000 0.447 621 V N 0.164 120.109 119.914 0.052 0.000 2.295 621 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 621 V C 2.545 178.663 176.094 0.040 0.000 1.049 621 V CA 2.491 64.817 62.300 0.043 0.000 1.024 621 V CB -0.858 31.043 31.823 0.130 0.000 0.648 621 V HN 0.529 nan 8.190 nan 0.000 0.447 622 R N -0.673 119.833 120.500 0.009 0.000 2.080 622 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 622 R C 2.359 178.613 176.300 -0.078 0.000 1.137 622 R CA 2.312 58.358 56.100 -0.090 0.000 0.943 622 R CB -0.513 29.603 30.300 -0.308 0.000 0.846 622 R HN 0.572 nan 8.270 nan 0.000 0.431 623 Y N 0.337 120.662 120.300 0.042 0.000 2.263 623 Y HA -0.074 4.476 4.550 -0.000 0.000 0.292 623 Y C 2.567 178.467 175.900 -0.001 0.000 1.130 623 Y CA 0.724 58.836 58.100 0.020 0.000 1.179 623 Y CB 0.173 38.635 38.460 0.004 0.000 0.998 623 Y HN 0.154 nan 8.280 nan 0.000 0.532 624 E N 0.063 120.321 120.200 0.097 0.000 2.107 624 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 624 E C 2.361 178.906 176.600 -0.093 0.000 0.982 624 E CA 0.944 57.322 56.400 -0.036 0.000 0.809 624 E CB -0.348 29.264 29.700 -0.148 0.000 0.756 624 E HN 0.439 nan 8.360 nan 0.000 0.459 625 A N 1.159 123.937 122.820 -0.071 0.000 1.969 625 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 625 A C 2.188 179.862 177.584 0.150 0.000 1.169 625 A CA 0.772 52.816 52.037 0.012 0.000 0.635 625 A CB -0.395 18.733 19.000 0.214 0.000 0.810 625 A HN 0.159 nan 8.150 nan 0.000 0.445 626 L N -0.110 121.213 121.223 0.167 0.000 2.093 626 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 626 L C 2.511 179.432 176.870 0.085 0.000 1.085 626 L CA 1.612 56.526 54.840 0.125 0.000 0.755 626 L CB -0.487 41.662 42.059 0.149 0.000 0.904 626 L HN 0.329 nan 8.230 nan 0.000 0.435 627 R N -1.428 119.144 120.500 0.119 0.000 2.073 627 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 627 R C 2.092 178.570 176.300 0.296 0.000 1.120 627 R CA 1.187 57.397 56.100 0.182 0.000 0.967 627 R CB -0.648 29.736 30.300 0.140 0.000 0.862 627 R HN 0.244 nan 8.270 nan 0.000 0.436 628 L N 1.284 122.607 121.223 0.167 0.000 2.083 628 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 628 L C 2.231 179.396 176.870 0.492 0.000 1.083 628 L CA 1.430 56.380 54.840 0.184 0.000 0.752 628 L CB -0.207 41.767 42.059 -0.141 0.000 0.899 628 L HN 0.040 nan 8.230 nan 0.000 0.433 629 V N -3.750 116.421 119.914 0.428 0.000 3.041 629 V HA 0.378 4.497 4.120 -0.000 0.000 0.260 629 V C 1.534 177.936 176.094 0.513 0.000 1.105 629 V CA 1.128 63.753 62.300 0.543 0.000 1.125 629 V CB -0.249 31.590 31.823 0.026 0.000 0.730 629 V HN 0.486 nan 8.190 nan 0.000 0.479 630 G N -1.128 107.874 108.800 0.337 0.000 4.080 630 G HA2 0.022 3.982 3.960 -0.000 0.000 0.219 630 G HA3 0.022 3.982 3.960 -0.000 0.000 0.219 630 G C 1.008 175.820 174.900 -0.147 0.000 0.843 630 G CA 0.141 45.241 45.100 -0.001 0.000 0.856 630 G HN 0.748 nan 8.290 nan 0.000 0.616 631 G N 1.516 110.348 108.800 0.054 0.000 2.462 631 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.220 631 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.220 631 G C 1.635 176.634 174.900 0.166 0.000 1.121 631 G CA 1.499 46.665 45.100 0.110 0.000 0.758 631 G HN 0.741 nan 8.290 nan 0.000 0.559 632 W N 1.038 122.469 121.300 0.218 0.000 2.387 632 W HA -0.060 4.600 4.660 -0.000 0.000 0.272 632 W C 1.396 178.038 176.519 0.205 0.000 1.224 632 W CA 0.742 58.256 57.345 0.283 0.000 1.210 632 W CB -0.621 29.002 29.460 0.272 0.000 1.125 632 W HN 0.265 nan 8.180 nan 0.000 0.572 633 N N -0.075 118.261 118.700 -0.607 0.000 2.463 633 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 633 N C -0.814 174.284 175.510 -0.687 0.000 1.078 633 N CA 0.482 53.029 53.050 -0.840 0.000 0.902 633 N CB -0.384 37.247 38.487 -1.428 0.000 0.970 633 N HN 0.051 nan 8.380 nan 0.000 0.451 634 Y N -0.491 119.772 120.300 -0.062 0.000 2.388 634 Y HA 0.373 4.923 4.550 -0.000 0.000 0.328 634 Y C -1.630 174.313 175.900 0.071 0.000 0.963 634 Y CA -2.353 55.771 58.100 0.040 0.000 1.240 634 Y CB 1.896 40.434 38.460 0.131 0.000 1.118 634 Y HN 0.003 nan 8.280 nan 0.000 0.484 635 P HA -0.239 nan 4.420 nan 0.000 0.215 635 P C 1.564 178.946 177.300 0.137 0.000 1.163 635 P CA 1.646 64.813 63.100 0.111 0.000 0.894 635 P CB 0.464 32.214 31.700 0.082 0.000 0.791 636 L N -1.958 119.367 121.223 0.170 0.000 2.072 636 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 636 L C 2.435 179.386 176.870 0.136 0.000 1.079 636 L CA 1.019 55.954 54.840 0.158 0.000 0.752 636 L CB -0.926 41.239 42.059 0.178 0.000 0.906 636 L HN 0.006 nan 8.230 nan 0.000 0.436 637 L N 0.638 121.952 121.223 0.151 0.000 2.017 637 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 637 L C 2.177 179.095 176.870 0.080 0.000 1.073 637 L CA 2.004 56.883 54.840 0.064 0.000 0.745 637 L CB -0.748 41.274 42.059 -0.061 0.000 0.894 637 L HN 0.260 nan 8.230 nan 0.000 0.432 638 N N -0.253 118.530 118.700 0.139 0.000 2.018 638 N HA -0.311 4.429 4.740 -0.000 0.000 0.196 638 N C 1.939 177.529 175.510 0.134 0.000 1.043 638 N CA 2.070 55.225 53.050 0.174 0.000 0.856 638 N CB -0.224 38.410 38.487 0.246 0.000 1.042 638 N HN 0.245 nan 8.380 nan 0.000 0.423 639 K N -0.102 120.367 120.400 0.115 0.000 2.097 639 K HA 0.142 4.462 4.320 -0.000 0.000 0.205 639 K C 1.744 178.368 176.600 0.040 0.000 1.050 639 K CA 1.239 57.577 56.287 0.086 0.000 0.938 639 K CB -0.609 31.942 32.500 0.085 0.000 0.718 639 K HN 0.304 nan 8.250 nan 0.000 0.442 640 A N -0.129 122.708 122.820 0.028 0.000 1.898 640 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 640 A C 2.446 179.929 177.584 -0.167 0.000 1.181 640 A CA 1.594 53.608 52.037 -0.038 0.000 0.620 640 A CB -1.066 17.930 19.000 -0.007 0.000 0.819 640 A HN 0.485 nan 8.150 nan 0.000 0.442 641 C N -0.651 118.584 119.300 -0.109 0.000 2.429 641 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 641 C C 2.696 177.607 174.990 -0.132 0.000 1.262 641 C CA 1.334 60.265 59.018 -0.145 0.000 1.733 641 C CB -0.948 26.855 27.740 0.105 0.000 2.010 641 C HN 0.711 nan 8.230 nan 0.000 0.483 642 K N 0.925 121.303 120.400 -0.036 0.000 2.026 642 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 642 K C 1.778 178.343 176.600 -0.058 0.000 1.048 642 K CA 1.702 57.980 56.287 -0.015 0.000 0.929 642 K CB -0.203 32.321 32.500 0.041 0.000 0.713 642 K HN 0.406 nan 8.250 nan 0.000 0.439 643 N N 1.260 119.914 118.700 -0.077 0.000 2.058 643 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 643 N C 1.495 176.913 175.510 -0.153 0.000 1.037 643 N CA 1.359 54.356 53.050 -0.088 0.000 0.848 643 N CB -0.672 37.777 38.487 -0.063 0.000 1.021 643 N HN 0.237 nan 8.380 nan 0.000 0.422 644 N N 0.841 119.363 118.700 -0.296 0.000 2.166 644 N HA -0.041 4.699 4.740 -0.000 0.000 0.186 644 N C 1.519 176.890 175.510 -0.232 0.000 1.019 644 N CA 1.142 53.951 53.050 -0.402 0.000 0.856 644 N CB -0.422 37.505 38.487 -0.932 0.000 0.993 644 N HN 0.265 nan 8.380 nan 0.000 0.426 645 A N 0.169 122.888 122.820 -0.169 0.000 1.968 645 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 645 A C 2.327 179.910 177.584 -0.001 0.000 1.169 645 A CA 1.611 53.668 52.037 0.034 0.000 0.638 645 A CB -0.992 18.056 19.000 0.080 0.000 0.812 645 A HN 0.339 nan 8.150 nan 0.000 0.446 646 G N -0.462 108.318 108.800 -0.033 0.000 2.408 646 G HA2 0.056 4.016 3.960 -0.000 0.000 0.217 646 G HA3 0.056 4.016 3.960 -0.000 0.000 0.217 646 G C 1.692 176.582 174.900 -0.016 0.000 1.150 646 G CA 1.224 46.311 45.100 -0.021 0.000 0.776 646 G HN 0.730 nan 8.290 nan 0.000 0.542 647 A N 1.041 123.840 122.820 -0.034 0.000 1.930 647 A HA 0.350 4.670 4.320 -0.000 0.000 0.217 647 A C 2.752 180.336 177.584 -0.001 0.000 1.175 647 A CA 2.044 54.064 52.037 -0.028 0.000 0.627 647 A CB -0.593 18.369 19.000 -0.064 0.000 0.815 647 A HN 0.676 nan 8.150 nan 0.000 0.443 648 A N -0.458 122.362 122.820 0.000 0.000 1.897 648 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 648 A C 2.250 179.850 177.584 0.027 0.000 1.181 648 A CA 1.272 53.318 52.037 0.016 0.000 0.620 648 A CB -0.423 18.593 19.000 0.028 0.000 0.821 648 A HN 0.491 nan 8.150 nan 0.000 0.443 649 R N -0.607 119.903 120.500 0.017 0.000 2.073 649 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 649 R C 2.438 178.753 176.300 0.024 0.000 1.134 649 R CA 1.592 57.701 56.100 0.014 0.000 0.952 649 R CB -0.273 30.032 30.300 0.009 0.000 0.850 649 R HN 0.475 nan 8.270 nan 0.000 0.433 650 R N -0.838 119.680 120.500 0.030 0.000 2.115 650 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 650 R C 2.297 178.625 176.300 0.047 0.000 1.111 650 R CA 1.052 57.170 56.100 0.030 0.000 0.976 650 R CB -0.387 29.928 30.300 0.025 0.000 0.870 650 R HN 0.443 nan 8.270 nan 0.000 0.445 651 H N 0.796 119.846 119.070 -0.033 0.000 2.389 651 H HA -0.020 4.536 4.556 -0.000 0.000 0.299 651 H C 1.903 177.207 175.328 -0.040 0.000 1.081 651 H CA 1.205 57.229 56.048 -0.039 0.000 1.345 651 H CB 0.249 29.979 29.762 -0.054 0.000 1.393 651 H HN 0.138 nan 8.280 nan 0.000 0.520 652 L N 0.613 121.810 121.223 -0.043 0.000 2.179 652 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 652 L C 3.111 179.980 176.870 -0.001 0.000 1.096 652 L CA 1.144 55.942 54.840 -0.071 0.000 0.779 652 L CB -0.495 41.516 42.059 -0.080 0.000 0.922 652 L HN 0.376 nan 8.230 nan 0.000 0.443 653 E N 0.685 120.885 120.200 0.000 0.000 2.106 653 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 653 E C 2.263 178.854 176.600 -0.015 0.000 0.984 653 E CA 1.307 57.713 56.400 0.010 0.000 0.806 653 E CB -0.616 29.090 29.700 0.010 0.000 0.750 653 E HN 0.553 nan 8.360 nan 0.000 0.458 654 A N 0.369 123.160 122.820 -0.049 0.000 2.014 654 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 654 A C 2.182 179.719 177.584 -0.079 0.000 1.163 654 A CA 1.448 53.448 52.037 -0.061 0.000 0.652 654 A CB 0.000 18.957 19.000 -0.071 0.000 0.808 654 A HN 0.328 nan 8.150 nan 0.000 0.449 655 K N -1.151 119.181 120.400 -0.114 0.000 2.393 655 K HA 0.189 4.509 4.320 -0.000 0.000 0.193 655 K C 0.680 177.275 176.600 -0.008 0.000 1.026 655 K CA 0.466 56.697 56.287 -0.092 0.000 1.064 655 K CB 0.046 32.443 32.500 -0.172 0.000 0.833 655 K HN 0.603 nan 8.250 nan 0.000 0.521 656 G N 2.550 111.358 108.800 0.014 0.000 2.324 656 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.292 656 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.292 656 G C -0.431 174.510 174.900 0.069 0.000 1.079 656 G CA -0.220 44.898 45.100 0.030 0.000 1.026 656 G HN 0.302 nan 8.290 nan 0.000 0.506 657 F N 1.202 121.120 119.950 -0.053 0.000 2.394 657 F HA 0.623 5.150 4.527 -0.000 0.000 0.340 657 F C -1.614 174.170 175.800 -0.027 0.000 1.105 657 F CA -2.705 55.265 58.000 -0.050 0.000 1.124 657 F CB 1.447 40.399 39.000 -0.079 0.000 1.145 657 F HN 0.006 nan 8.300 nan 0.000 0.505 658 P HA 0.060 nan 4.420 nan 0.000 0.241 658 P C 0.551 177.719 177.300 -0.220 0.000 1.760 658 P CA 0.128 63.006 63.100 -0.370 0.000 1.081 658 P CB 0.190 31.656 31.700 -0.389 0.000 1.975 659 L N 2.322 123.608 121.223 0.105 0.000 2.072 659 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 659 L C 2.255 179.253 176.870 0.213 0.000 1.079 659 L CA 2.698 57.715 54.840 0.295 0.000 0.752 659 L CB -1.203 41.011 42.059 0.257 0.000 0.906 659 L HN 0.264 nan 8.230 nan 0.000 0.436 660 D N -1.009 119.459 120.400 0.113 0.000 2.144 660 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 660 D C 1.976 178.328 176.300 0.086 0.000 0.984 660 D CA 1.686 55.738 54.000 0.086 0.000 0.834 660 D CB -0.675 40.153 40.800 0.046 0.000 0.955 660 D HN 0.619 nan 8.370 nan 0.000 0.465 661 E N -0.903 119.335 120.200 0.064 0.000 2.152 661 E HA 0.112 4.462 4.350 -0.000 0.000 0.192 661 E C 1.763 178.415 176.600 0.086 0.000 0.983 661 E CA 0.871 57.298 56.400 0.045 0.000 0.818 661 E CB -0.863 28.835 29.700 -0.003 0.000 0.758 661 E HN 0.726 nan 8.360 nan 0.000 0.467 662 F N 0.318 120.267 119.950 -0.003 0.000 2.206 662 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 662 F C 1.891 177.726 175.800 0.058 0.000 1.090 662 F CA 1.098 59.122 58.000 0.040 0.000 1.323 662 F CB 0.199 39.289 39.000 0.151 0.000 1.028 662 F HN 0.121 nan 8.300 nan 0.000 0.492 663 L N -0.265 121.074 121.223 0.194 0.000 2.612 663 L HA 0.179 4.519 4.340 -0.000 0.000 0.230 663 L C 2.308 179.284 176.870 0.176 0.000 1.140 663 L CA 0.348 55.289 54.840 0.169 0.000 0.896 663 L CB -0.803 41.361 42.059 0.174 0.000 1.065 663 L HN 0.176 nan 8.230 nan 0.000 0.447 664 A N 0.100 122.966 122.820 0.076 0.000 1.883 664 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 664 A C 1.392 178.985 177.584 0.015 0.000 1.186 664 A CA 1.381 53.450 52.037 0.053 0.000 0.624 664 A CB -0.024 18.982 19.000 0.010 0.000 0.822 664 A HN 0.290 nan 8.150 nan 0.000 0.444 665 E N 0.157 120.323 120.200 -0.056 0.000 3.588 665 E HA 0.069 4.419 4.350 -0.000 0.000 0.213 665 E C 0.629 177.126 176.600 -0.172 0.000 1.168 665 E CA -0.479 55.832 56.400 -0.148 0.000 1.254 665 E CB -0.326 29.292 29.700 -0.137 0.000 1.302 665 E HN 0.907 nan 8.360 nan 0.000 0.429 666 W N 0.969 122.198 121.300 -0.117 0.000 2.465 666 W HA -0.160 4.500 4.660 -0.000 0.000 0.268 666 W C 1.220 177.703 176.519 -0.060 0.000 1.242 666 W CA 1.110 58.380 57.345 -0.124 0.000 1.248 666 W CB -0.890 28.517 29.460 -0.089 0.000 1.118 666 W HN 0.184 nan 8.180 nan 0.000 0.587 667 S N 1.071 116.321 115.700 -0.749 0.000 2.419 667 S HA -0.241 4.229 4.470 -0.000 0.000 0.233 667 S C 1.462 175.950 174.600 -0.185 0.000 1.016 667 S CA 1.532 59.358 58.200 -0.624 0.000 0.974 667 S CB -0.743 62.005 63.200 -0.753 0.000 0.786 667 S HN 0.442 nan 8.310 nan 0.000 0.492 668 E N 0.927 121.034 120.200 -0.155 0.000 2.274 668 E HA 0.117 4.467 4.350 -0.000 0.000 0.194 668 E C 1.464 178.069 176.600 0.009 0.000 0.996 668 E CA 0.727 57.088 56.400 -0.066 0.000 0.840 668 E CB -0.219 29.433 29.700 -0.080 0.000 0.772 668 E HN 0.576 nan 8.360 nan 0.000 0.491 669 L N -0.038 121.206 121.223 0.035 0.000 2.607 669 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 669 L C 0.924 177.918 176.870 0.208 0.000 1.123 669 L CA -0.213 54.702 54.840 0.125 0.000 0.890 669 L CB 0.592 42.638 42.059 -0.021 0.000 1.103 669 L HN -0.124 nan 8.230 nan 0.000 0.468 670 S N -0.130 115.686 115.700 0.193 0.000 2.503 670 S HA 0.178 4.648 4.470 -0.000 0.000 0.301 670 S C 0.966 175.622 174.600 0.093 0.000 1.087 670 S CA -0.691 57.638 58.200 0.214 0.000 1.042 670 S CB 1.537 64.997 63.200 0.434 0.000 1.043 670 S HN 0.428 nan 8.310 nan 0.000 0.489 671 E N 2.515 122.664 120.200 -0.086 0.000 2.338 671 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 671 E C 0.032 176.465 176.600 -0.278 0.000 1.007 671 E CA 1.246 57.481 56.400 -0.275 0.000 0.849 671 E CB -0.311 29.075 29.700 -0.523 0.000 0.774 671 E HN 0.660 nan 8.360 nan 0.000 0.506 672 F N 0.680 120.782 119.950 0.254 0.000 2.641 672 F HA 0.428 4.955 4.527 -0.000 0.000 0.302 672 F C 2.029 178.093 175.800 0.439 0.000 1.098 672 F CA -0.157 58.054 58.000 0.353 0.000 1.318 672 F CB 0.471 39.759 39.000 0.481 0.000 1.035 672 F HN 0.089 nan 8.300 nan 0.000 0.551 673 G N 0.167 109.204 108.800 0.395 0.000 2.432 673 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 673 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 673 G C 1.573 176.546 174.900 0.120 0.000 1.135 673 G CA 0.624 45.856 45.100 0.221 0.000 0.767 673 G HN 0.354 nan 8.290 nan 0.000 0.550 674 E N 0.378 120.645 120.200 0.111 0.000 2.160 674 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 674 E C 2.786 179.366 176.600 -0.032 0.000 0.991 674 E CA 0.766 57.184 56.400 0.030 0.000 0.810 674 E CB -0.140 29.600 29.700 0.066 0.000 0.742 674 E HN 0.457 nan 8.360 nan 0.000 0.466 675 A N -0.076 122.759 122.820 0.025 0.000 2.066 675 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 675 A C 1.289 178.585 177.584 -0.480 0.000 1.157 675 A CA 0.779 52.735 52.037 -0.134 0.000 0.670 675 A CB -0.140 18.886 19.000 0.042 0.000 0.804 675 A HN 0.185 nan 8.150 nan 0.000 0.453 676 F N -0.355 119.517 119.950 -0.130 0.000 2.661 676 F HA 0.321 4.848 4.527 -0.000 0.000 0.306 676 F C 1.220 176.633 175.800 -0.645 0.000 1.094 676 F CA 0.171 57.958 58.000 -0.355 0.000 1.254 676 F CB -0.199 38.759 39.000 -0.069 0.000 1.040 676 F HN 0.205 nan 8.300 nan 0.000 0.562 677 E N 0.616 120.543 120.200 -0.454 0.000 2.366 677 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 677 E C 1.360 177.686 176.600 -0.457 0.000 1.015 677 E CA 0.227 56.399 56.400 -0.380 0.000 0.906 677 E CB -0.306 29.245 29.700 -0.248 0.000 0.979 677 E HN 0.719 nan 8.360 nan 0.000 0.443 678 G N 1.082 109.725 108.800 -0.261 0.000 2.176 678 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 678 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 678 G C 0.736 175.680 174.900 0.072 0.000 0.979 678 G CA 0.480 45.510 45.100 -0.117 0.000 0.641 678 G HN 0.644 nan 8.290 nan 0.000 0.530 679 F N 0.709 120.646 119.950 -0.021 0.000 2.473 679 F HA 0.247 4.774 4.527 -0.000 0.000 0.294 679 F C 1.529 177.330 175.800 0.002 0.000 1.103 679 F CA 0.074 58.074 58.000 -0.000 0.000 1.442 679 F CB -0.421 38.601 39.000 0.036 0.000 1.097 679 F HN 0.238 nan 8.300 nan 0.000 0.547 680 N N 1.142 119.941 118.700 0.164 0.000 2.727 680 N HA -0.225 4.514 4.740 -0.000 0.000 0.251 680 N C -0.479 175.111 175.510 0.134 0.000 1.040 680 N CA 0.936 54.044 53.050 0.098 0.000 0.712 680 N CB -2.072 36.454 38.487 0.065 0.000 0.912 680 N HN 0.443 nan 8.380 nan 0.000 0.545 681 I N -3.130 117.566 120.570 0.210 0.000 2.562 681 I HA 0.472 4.642 4.170 -0.000 0.000 0.301 681 I C 0.603 176.918 176.117 0.329 0.000 1.003 681 I CA -0.983 60.446 61.300 0.215 0.000 1.127 681 I CB 1.663 39.782 38.000 0.199 0.000 1.304 681 I HN -0.193 nan 8.210 nan 0.000 0.446 682 K N 3.861 124.351 120.400 0.149 0.000 2.138 682 K HA 0.362 4.682 4.320 -0.000 0.000 0.251 682 K C -0.438 176.053 176.600 -0.182 0.000 1.015 682 K CA -0.577 55.746 56.287 0.060 0.000 0.917 682 K CB 1.114 33.606 32.500 -0.013 0.000 1.021 682 K HN 0.607 nan 8.250 nan 0.000 0.485 683 L N 3.150 124.103 121.223 -0.451 0.000 2.480 683 L HA 0.058 4.398 4.340 -0.000 0.000 0.243 683 L C -0.155 176.489 176.870 -0.378 0.000 1.315 683 L CA -0.070 54.349 54.840 -0.702 0.000 1.231 683 L CB -0.520 41.003 42.059 -0.894 0.000 1.444 683 L HN 0.682 nan 8.230 nan 0.000 0.409 684 T N -1.940 112.435 114.554 -0.297 0.000 2.861 684 T HA 0.538 4.888 4.350 -0.000 0.000 0.287 684 T C -0.393 174.159 174.700 -0.246 0.000 1.003 684 T CA -0.702 61.266 62.100 -0.220 0.000 0.977 684 T CB 2.229 71.002 68.868 -0.158 0.000 0.996 684 T HN -0.127 nan 8.240 nan 0.000 0.448 685 V N 4.004 123.772 119.914 -0.242 0.000 2.275 685 V HA 0.574 4.694 4.120 -0.000 0.000 0.272 685 V C 0.597 176.433 176.094 -0.430 0.000 1.028 685 V CA -0.470 61.644 62.300 -0.312 0.000 0.810 685 V CB 0.096 31.776 31.823 -0.238 0.000 1.043 685 V HN 1.256 nan 8.190 nan 0.000 0.453 686 T N -0.036 114.265 114.554 -0.422 0.000 2.858 686 T HA 0.359 4.709 4.350 -0.000 0.000 0.285 686 T C 1.194 175.653 174.700 -0.402 0.000 1.052 686 T CA 0.165 62.022 62.100 -0.404 0.000 1.009 686 T CB 1.783 70.533 68.868 -0.197 0.000 1.241 686 T HN 0.245 nan 8.240 nan 0.000 0.542 687 S N -0.235 115.357 115.700 -0.180 0.000 2.368 687 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 687 S C 1.635 176.160 174.600 -0.126 0.000 1.030 687 S CA 1.954 60.114 58.200 -0.067 0.000 0.999 687 S CB -0.780 62.450 63.200 0.050 0.000 0.844 687 S HN 0.738 nan 8.310 nan 0.000 0.459 688 E N 1.220 121.349 120.200 -0.118 0.000 2.072 688 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 688 E C 2.527 179.041 176.600 -0.142 0.000 0.982 688 E CA 1.392 57.725 56.400 -0.112 0.000 0.803 688 E CB -0.389 29.259 29.700 -0.086 0.000 0.755 688 E HN 0.706 nan 8.360 nan 0.000 0.453 689 S N 0.291 115.887 115.700 -0.172 0.000 2.402 689 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 689 S C 1.993 176.462 174.600 -0.217 0.000 1.021 689 S CA 0.668 58.759 58.200 -0.182 0.000 0.974 689 S CB -0.354 62.730 63.200 -0.194 0.000 0.800 689 S HN 0.166 nan 8.310 nan 0.000 0.484 690 L N 0.956 122.010 121.223 -0.282 0.000 2.156 690 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 690 L C 3.097 179.809 176.870 -0.264 0.000 1.095 690 L CA 0.887 55.523 54.840 -0.340 0.000 0.770 690 L CB -0.652 41.079 42.059 -0.547 0.000 0.914 690 L HN 0.480 nan 8.230 nan 0.000 0.439 691 A N 0.814 123.507 122.820 -0.213 0.000 1.873 691 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 691 A C 2.189 179.687 177.584 -0.143 0.000 1.186 691 A CA 1.617 53.556 52.037 -0.164 0.000 0.616 691 A CB -0.486 18.434 19.000 -0.133 0.000 0.823 691 A HN 0.580 nan 8.150 nan 0.000 0.442 692 E N -0.296 119.820 120.200 -0.140 0.000 2.204 692 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 692 E C 1.794 178.296 176.600 -0.163 0.000 0.989 692 E CA 1.245 57.566 56.400 -0.132 0.000 0.824 692 E CB -0.415 29.216 29.700 -0.114 0.000 0.756 692 E HN 0.436 nan 8.360 nan 0.000 0.477 693 L N 1.520 122.637 121.223 -0.176 0.000 2.141 693 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 693 L C 1.428 178.208 176.870 -0.150 0.000 1.094 693 L CA 1.541 56.254 54.840 -0.212 0.000 0.763 693 L CB -0.143 41.788 42.059 -0.213 0.000 0.908 693 L HN 0.059 nan 8.230 nan 0.000 0.437 694 N N -0.715 117.923 118.700 -0.103 0.000 2.220 694 N HA 0.046 4.786 4.740 -0.000 0.000 0.195 694 N C -0.073 175.388 175.510 -0.080 0.000 1.123 694 N CA 0.035 53.054 53.050 -0.052 0.000 0.874 694 N CB 0.325 38.786 38.487 -0.043 0.000 0.995 694 N HN 0.308 nan 8.380 nan 0.000 0.498 695 K N 2.379 122.717 120.400 -0.104 0.000 2.430 695 K HA 0.088 4.408 4.320 -0.000 0.000 0.280 695 K C -2.433 174.118 176.600 -0.082 0.000 1.063 695 K CA -1.137 55.095 56.287 -0.091 0.000 1.071 695 K CB 0.316 32.759 32.500 -0.094 0.000 0.899 695 K HN -0.041 nan 8.250 nan 0.000 0.473 696 P HA -0.074 nan 4.420 nan 0.000 0.261 696 P C -0.988 176.285 177.300 -0.045 0.000 1.183 696 P CA 0.083 63.158 63.100 -0.042 0.000 0.761 696 P CB 0.563 32.251 31.700 -0.021 0.000 0.785 697 V N 6.742 126.627 119.914 -0.048 0.000 2.487 697 V HA 0.337 4.457 4.120 -0.000 0.000 0.298 697 V C -1.971 174.110 176.094 -0.021 0.000 1.028 697 V CA -2.035 60.239 62.300 -0.043 0.000 0.860 697 V CB 1.687 33.470 31.823 -0.066 0.000 0.991 697 V HN 0.519 nan 8.190 nan 0.000 0.427 698 P HA 0.156 nan 4.420 nan 0.000 0.264 698 P C -2.633 174.671 177.300 0.007 0.000 1.183 698 P CA -0.734 62.368 63.100 0.003 0.000 0.763 698 P CB -0.330 31.373 31.700 0.005 0.000 0.807 699 P HA 0.091 nan 4.420 nan 0.000 0.269 699 P C 0.020 177.331 177.300 0.019 0.000 1.209 699 P CA 0.041 63.154 63.100 0.022 0.000 0.776 699 P CB 0.305 32.027 31.700 0.037 0.000 0.876 700 K N 3.429 123.839 120.400 0.016 0.000 2.436 700 K HA 0.138 4.458 4.320 -0.000 0.000 0.275 700 K C -2.029 174.580 176.600 0.015 0.000 0.999 700 K CA -1.339 54.955 56.287 0.011 0.000 0.980 700 K CB -0.756 31.747 32.500 0.004 0.000 0.919 700 K HN 0.405 nan 8.250 nan 0.000 0.484 701 P HA 0.136 nan 4.420 nan 0.000 0.269 701 P C -2.500 174.807 177.300 0.012 0.000 1.209 701 P CA -1.160 61.948 63.100 0.013 0.000 0.776 701 P CB -0.373 31.332 31.700 0.007 0.000 0.876 702 P HA 0.221 nan 4.420 nan 0.000 0.275 702 P C -0.440 176.862 177.300 0.004 0.000 1.227 702 P CA -0.031 63.081 63.100 0.019 0.000 0.781 702 P CB 0.225 31.944 31.700 0.030 0.000 0.906 703 N N 2.184 120.880 118.700 -0.005 0.000 2.626 703 N HA 0.340 5.080 4.740 -0.000 0.000 0.249 703 N C -1.698 173.790 175.510 -0.035 0.000 1.021 703 N CA -0.402 52.631 53.050 -0.029 0.000 0.886 703 N CB 0.376 38.831 38.487 -0.053 0.000 1.149 703 N HN -0.032 nan 8.380 nan 0.000 0.517 704 V N 2.798 122.695 119.914 -0.029 0.000 2.604 704 V HA 0.352 4.472 4.120 -0.000 0.000 0.305 704 V C 0.618 176.684 176.094 -0.047 0.000 1.043 704 V CA -0.984 61.297 62.300 -0.031 0.000 0.888 704 V CB 1.777 33.601 31.823 0.001 0.000 0.995 704 V HN 0.537 nan 8.190 nan 0.000 0.429 705 N N 3.593 122.250 118.700 -0.073 0.000 2.416 705 N HA 0.146 4.886 4.740 -0.000 0.000 0.215 705 N C 0.085 175.566 175.510 -0.049 0.000 1.208 705 N CA -0.082 52.919 53.050 -0.080 0.000 0.834 705 N CB -0.253 38.157 38.487 -0.129 0.000 1.072 705 N HN 0.847 nan 8.380 nan 0.000 0.472 706 R N -2.613 117.873 120.500 -0.024 0.000 2.765 706 R HA 0.386 4.726 4.340 -0.000 0.000 0.277 706 R C -3.110 173.198 176.300 0.013 0.000 1.028 706 R CA -1.334 54.766 56.100 -0.001 0.000 0.860 706 R CB -0.491 29.814 30.300 0.007 0.000 1.270 706 R HN -0.173 nan 8.270 nan 0.000 0.484 707 P HA -0.007 nan 4.420 nan 0.000 0.260 707 P C -0.383 176.938 177.300 0.036 0.000 1.172 707 P CA -0.238 62.879 63.100 0.029 0.000 0.760 707 P CB 0.429 32.150 31.700 0.034 0.000 0.773 708 V N 4.505 124.441 119.914 0.035 0.000 2.521 708 V HA 0.010 4.130 4.120 -0.000 0.000 0.286 708 V C 0.961 177.085 176.094 0.050 0.000 1.034 708 V CA 0.015 62.342 62.300 0.043 0.000 1.045 708 V CB 0.049 31.897 31.823 0.041 0.000 0.974 708 V HN 0.561 nan 8.190 nan 0.000 0.480 709 N N 3.744 122.479 118.700 0.058 0.000 2.422 709 N HA 0.141 4.881 4.740 -0.000 0.000 0.264 709 N C 0.771 176.318 175.510 0.062 0.000 1.063 709 N CA 0.193 53.279 53.050 0.060 0.000 0.959 709 N CB 1.623 40.150 38.487 0.066 0.000 1.087 709 N HN 0.842 nan 8.380 nan 0.000 0.483 710 T N -0.834 113.755 114.554 0.058 0.000 3.084 710 T HA 0.211 4.561 4.350 -0.000 0.000 0.270 710 T C 1.497 176.234 174.700 0.062 0.000 1.008 710 T CA -0.050 62.088 62.100 0.063 0.000 0.900 710 T CB 0.250 69.153 68.868 0.058 0.000 1.084 710 T HN 0.333 nan 8.240 nan 0.000 0.538 711 G N 1.293 110.126 108.800 0.056 0.000 2.448 711 G HA2 0.438 4.398 3.960 -0.000 0.000 0.218 711 G HA3 0.438 4.398 3.960 -0.000 0.000 0.218 711 G C 0.991 175.923 174.900 0.054 0.000 1.135 711 G CA 0.195 45.325 45.100 0.049 0.000 0.784 711 G HN 1.176 nan 8.290 nan 0.000 0.543 712 G N -1.385 107.454 108.800 0.066 0.000 2.592 712 G HA2 0.002 3.962 3.960 -0.000 0.000 0.684 712 G HA3 0.002 3.962 3.960 -0.000 0.000 0.684 712 G C 0.229 175.168 174.900 0.064 0.000 1.291 712 G CA -0.120 45.026 45.100 0.077 0.000 0.891 712 G HN 0.685 nan 8.290 nan 0.000 0.544 713 L N 0.064 121.332 121.223 0.075 0.000 2.209 713 L HA 0.330 4.670 4.340 -0.000 0.000 0.207 713 L C 2.670 179.561 176.870 0.034 0.000 1.094 713 L CA 2.332 57.208 54.840 0.060 0.000 0.790 713 L CB -0.486 41.625 42.059 0.087 0.000 0.932 713 L HN 0.676 nan 8.230 nan 0.000 0.447 714 K N -0.477 119.938 120.400 0.024 0.000 2.032 714 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 714 K C 2.071 178.662 176.600 -0.015 0.000 1.048 714 K CA 1.460 57.738 56.287 -0.015 0.000 0.927 714 K CB -0.372 32.106 32.500 -0.037 0.000 0.712 714 K HN 0.423 nan 8.250 nan 0.000 0.441 715 A N 0.936 123.756 122.820 0.000 0.000 1.933 715 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 715 A C 2.348 179.933 177.584 0.001 0.000 1.175 715 A CA 1.385 53.423 52.037 0.002 0.000 0.628 715 A CB -0.530 18.479 19.000 0.014 0.000 0.814 715 A HN 0.082 nan 8.150 nan 0.000 0.444 716 V N -0.376 119.540 119.914 0.003 0.000 2.453 716 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 716 V C 2.733 178.809 176.094 -0.031 0.000 1.048 716 V CA 2.144 64.439 62.300 -0.009 0.000 1.049 716 V CB -0.726 31.095 31.823 -0.003 0.000 0.672 716 V HN 0.537 nan 8.190 nan 0.000 0.457 717 S N 0.786 116.471 115.700 -0.024 0.000 2.368 717 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 717 S C 1.887 176.459 174.600 -0.046 0.000 1.030 717 S CA 1.541 59.720 58.200 -0.034 0.000 0.999 717 S CB -0.401 62.785 63.200 -0.022 0.000 0.844 717 S HN 0.611 nan 8.310 nan 0.000 0.459 718 N N 1.789 120.466 118.700 -0.038 0.000 2.270 718 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 718 N C 1.646 177.141 175.510 -0.026 0.000 1.016 718 N CA 1.093 54.120 53.050 -0.037 0.000 0.870 718 N CB -0.505 37.962 38.487 -0.034 0.000 0.979 718 N HN 0.412 nan 8.380 nan 0.000 0.431 719 A N 0.040 122.851 122.820 -0.015 0.000 2.066 719 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 719 A C 2.047 179.641 177.584 0.017 0.000 1.157 719 A CA 0.645 52.687 52.037 0.008 0.000 0.670 719 A CB -0.210 18.803 19.000 0.022 0.000 0.804 719 A HN 0.132 nan 8.150 nan 0.000 0.453 720 L N -0.110 121.091 121.223 -0.036 0.000 2.307 720 L HA 0.037 4.377 4.340 -0.000 0.000 0.211 720 L C 2.354 179.191 176.870 -0.055 0.000 1.099 720 L CA 1.835 56.620 54.840 -0.091 0.000 0.816 720 L CB -0.218 41.717 42.059 -0.207 0.000 0.952 720 L HN 0.578 nan 8.230 nan 0.000 0.455 721 K N -1.518 118.844 120.400 -0.062 0.000 2.366 721 K HA -0.058 4.262 4.320 -0.000 0.000 0.198 721 K C 1.610 178.177 176.600 -0.054 0.000 1.044 721 K CA 1.419 57.661 56.287 -0.076 0.000 0.973 721 K CB -0.623 31.828 32.500 -0.081 0.000 0.767 721 K HN 0.332 nan 8.250 nan 0.000 0.475 722 T N -2.937 111.601 114.554 -0.026 0.000 2.962 722 T HA 0.109 4.459 4.350 -0.000 0.000 0.270 722 T C 1.702 176.370 174.700 -0.053 0.000 1.088 722 T CA 0.830 62.911 62.100 -0.033 0.000 1.127 722 T CB -0.299 68.559 68.868 -0.015 0.000 0.883 722 T HN 0.529 nan 8.240 nan 0.000 0.493 723 G N 1.270 110.064 108.800 -0.011 0.000 2.217 723 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 723 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 723 G C 0.193 175.019 174.900 -0.123 0.000 0.990 723 G CA 0.041 45.099 45.100 -0.070 0.000 0.627 723 G HN 0.817 nan 8.290 nan 0.000 0.522 724 R N 0.461 120.942 120.500 -0.032 0.000 2.265 724 R HA 0.640 4.980 4.340 -0.000 0.000 0.328 724 R C -0.557 175.801 176.300 0.097 0.000 0.969 724 R CA -0.788 55.275 56.100 -0.060 0.000 0.832 724 R CB 0.332 30.613 30.300 -0.032 0.000 1.139 724 R HN 0.600 nan 8.270 nan 0.000 0.457 725 Y N 0.800 121.136 120.300 0.060 0.000 2.592 725 Y HA 0.417 4.967 4.550 0.000 0.000 0.334 725 Y C -1.090 174.900 175.900 0.151 0.000 1.136 725 Y CA -1.582 56.558 58.100 0.067 0.000 1.042 725 Y CB 0.692 39.158 38.460 0.009 0.000 1.325 725 Y HN 0.519 nan 8.280 nan 0.000 0.457 726 R N 0.805 121.483 120.500 0.296 0.000 2.549 726 R HA 0.478 4.818 4.340 -0.000 0.000 0.267 726 R C -0.934 175.602 176.300 0.393 0.000 1.045 726 R CA -0.842 55.421 56.100 0.271 0.000 1.115 726 R CB 0.674 31.091 30.300 0.194 0.000 1.121 726 R HN 0.699 nan 8.270 nan 0.000 0.543 727 N N 0.977 119.912 118.700 0.393 0.000 2.448 727 N HA -0.015 4.725 4.740 -0.000 0.000 0.250 727 N C -0.213 175.494 175.510 0.328 0.000 1.136 727 N CA -0.004 53.332 53.050 0.476 0.000 0.953 727 N CB 0.749 39.481 38.487 0.408 0.000 1.251 727 N HN 0.557 nan 8.380 nan 0.000 0.502 728 E N 1.771 122.160 120.200 0.314 0.000 2.502 728 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 728 E C 0.802 177.519 176.600 0.195 0.000 1.062 728 E CA 0.120 56.652 56.400 0.220 0.000 0.867 728 E CB 0.279 30.094 29.700 0.192 0.000 0.888 728 E HN 0.682 nan 8.360 nan 0.000 0.510 729 A N 0.690 123.659 122.820 0.248 0.000 2.095 729 A HA 0.336 4.656 4.320 -0.000 0.000 0.212 729 A C 1.448 179.114 177.584 0.137 0.000 1.162 729 A CA 1.042 53.184 52.037 0.174 0.000 0.753 729 A CB -0.100 19.034 19.000 0.223 0.000 0.840 729 A HN 0.281 nan 8.150 nan 0.000 0.468 730 G N -0.474 108.433 108.800 0.179 0.000 2.527 730 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.268 730 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.268 730 G C 0.819 175.777 174.900 0.097 0.000 1.175 730 G CA 0.440 45.633 45.100 0.156 0.000 0.962 730 G HN 1.146 nan 8.290 nan 0.000 0.560 731 L N 1.611 122.774 121.223 -0.101 0.000 2.056 731 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 731 L C 3.259 180.079 176.870 -0.082 0.000 1.078 731 L CA 3.477 58.156 54.840 -0.269 0.000 0.749 731 L CB -0.923 40.733 42.059 -0.670 0.000 0.901 731 L HN 1.280 nan 8.230 nan 0.000 0.433 732 S N -1.011 114.661 115.700 -0.046 0.000 2.419 732 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 732 S C 2.086 176.768 174.600 0.135 0.000 1.016 732 S CA 0.810 59.045 58.200 0.058 0.000 0.974 732 S CB -1.587 61.675 63.200 0.103 0.000 0.786 732 S HN 0.521 nan 8.310 nan 0.000 0.492 733 G N 1.970 110.842 108.800 0.120 0.000 2.402 733 G HA2 0.008 3.968 3.960 -0.000 0.000 0.216 733 G HA3 0.008 3.968 3.960 -0.000 0.000 0.216 733 G C 1.450 176.550 174.900 0.334 0.000 1.162 733 G CA 0.827 46.087 45.100 0.267 0.000 0.777 733 G HN 0.514 nan 8.290 nan 0.000 0.539 734 L N 0.288 121.623 121.223 0.187 0.000 2.093 734 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 734 L C 2.975 179.912 176.870 0.113 0.000 1.085 734 L CA 0.282 55.190 54.840 0.113 0.000 0.755 734 L CB -0.552 41.542 42.059 0.059 0.000 0.904 734 L HN 0.066 nan 8.230 nan 0.000 0.435 735 V N 0.420 120.400 119.914 0.110 0.000 2.287 735 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 735 V C 2.407 178.600 176.094 0.166 0.000 1.053 735 V CA 1.789 64.159 62.300 0.116 0.000 1.027 735 V CB -0.398 31.485 31.823 0.101 0.000 0.646 735 V HN 0.360 nan 8.190 nan 0.000 0.447 736 L N -1.067 120.287 121.223 0.217 0.000 2.156 736 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 736 L C 2.377 179.360 176.870 0.189 0.000 1.095 736 L CA 1.118 56.074 54.840 0.193 0.000 0.770 736 L CB -0.451 41.723 42.059 0.191 0.000 0.914 736 L HN 0.310 nan 8.230 nan 0.000 0.439 737 L N -0.252 121.125 121.223 0.258 0.000 2.017 737 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 737 L C 2.899 179.860 176.870 0.152 0.000 1.073 737 L CA 1.341 56.326 54.840 0.242 0.000 0.745 737 L CB -0.663 41.504 42.059 0.181 0.000 0.894 737 L HN 0.248 nan 8.230 nan 0.000 0.432 738 A N -0.546 122.336 122.820 0.105 0.000 1.902 738 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 738 A C 2.328 179.957 177.584 0.076 0.000 1.181 738 A CA 2.266 54.345 52.037 0.070 0.000 0.623 738 A CB -0.896 18.135 19.000 0.051 0.000 0.818 738 A HN 0.413 nan 8.150 nan 0.000 0.443 739 T N 0.348 114.955 114.554 0.088 0.000 2.746 739 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 739 T C 2.180 176.924 174.700 0.073 0.000 1.039 739 T CA 1.656 63.801 62.100 0.076 0.000 1.142 739 T CB -0.408 68.510 68.868 0.082 0.000 0.866 739 T HN 0.589 nan 8.240 nan 0.000 0.444 740 A N 1.416 124.293 122.820 0.096 0.000 1.929 740 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 740 A C 2.333 179.999 177.584 0.137 0.000 1.176 740 A CA 0.909 53.022 52.037 0.127 0.000 0.628 740 A CB -0.318 18.804 19.000 0.203 0.000 0.816 740 A HN 0.367 nan 8.150 nan 0.000 0.444 741 R N 0.154 120.729 120.500 0.126 0.000 2.240 741 R HA 0.054 4.394 4.340 -0.000 0.000 0.203 741 R C 0.640 176.976 176.300 0.060 0.000 1.011 741 R CA 0.728 56.883 56.100 0.091 0.000 1.007 741 R CB -0.009 30.335 30.300 0.073 0.000 0.911 741 R HN 0.630 nan 8.270 nan 0.000 0.468 742 S N 0.025 115.759 115.700 0.056 0.000 2.704 742 S HA 0.414 4.884 4.470 -0.000 0.000 0.305 742 S C -0.067 174.556 174.600 0.039 0.000 1.107 742 S CA -1.043 57.181 58.200 0.040 0.000 0.993 742 S CB 1.915 65.135 63.200 0.032 0.000 1.110 742 S HN 0.005 nan 8.310 nan 0.000 0.534 743 R N 0.441 120.959 120.500 0.030 0.000 2.679 743 R HA 0.149 4.489 4.340 -0.000 0.000 0.268 743 R C 1.329 177.642 176.300 0.021 0.000 1.044 743 R CA -0.161 55.954 56.100 0.025 0.000 1.105 743 R CB 0.070 30.380 30.300 0.016 0.000 0.989 743 R HN 0.710 nan 8.270 nan 0.000 0.447 744 L N 2.459 123.693 121.223 0.019 0.000 1.990 744 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 744 L C 1.890 178.761 176.870 0.003 0.000 1.072 744 L CA 1.851 56.699 54.840 0.013 0.000 0.755 744 L CB -0.085 41.980 42.059 0.010 0.000 0.889 744 L HN 0.634 nan 8.230 nan 0.000 0.432 745 Q N -0.715 119.084 119.800 -0.002 0.000 2.515 745 Q HA -0.144 4.196 4.340 -0.000 0.000 0.212 745 Q C 0.083 176.081 176.000 -0.004 0.000 0.970 745 Q CA 1.002 56.800 55.803 -0.009 0.000 0.941 745 Q CB 0.052 28.783 28.738 -0.012 0.000 0.998 745 Q HN 0.597 nan 8.270 nan 0.000 0.518 746 D N -0.672 119.730 120.400 0.003 0.000 2.525 746 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 746 D C 0.787 177.095 176.300 0.013 0.000 1.202 746 D CA -0.032 53.972 54.000 0.007 0.000 0.828 746 D CB 0.589 41.394 40.800 0.008 0.000 1.008 746 D HN 0.172 nan 8.370 nan 0.000 0.493 747 A N -0.160 122.668 122.820 0.014 0.000 1.969 747 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 747 A C 2.116 179.716 177.584 0.026 0.000 1.169 747 A CA 0.859 52.911 52.037 0.025 0.000 0.635 747 A CB -0.281 18.735 19.000 0.026 0.000 0.810 747 A HN 0.233 nan 8.150 nan 0.000 0.445 748 V N 0.071 119.994 119.914 0.014 0.000 2.323 748 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 748 V C 2.379 178.480 176.094 0.011 0.000 1.041 748 V CA 2.202 64.508 62.300 0.011 0.000 1.025 748 V CB -0.594 31.230 31.823 0.003 0.000 0.656 748 V HN 0.520 nan 8.190 nan 0.000 0.451 749 K N 0.215 120.621 120.400 0.009 0.000 2.147 749 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 749 K C 2.278 178.886 176.600 0.012 0.000 1.049 749 K CA 1.318 57.610 56.287 0.008 0.000 0.936 749 K CB -0.360 32.144 32.500 0.006 0.000 0.722 749 K HN 0.478 nan 8.250 nan 0.000 0.446 750 A N 1.886 124.718 122.820 0.019 0.000 1.877 750 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 750 A C 2.058 179.659 177.584 0.029 0.000 1.186 750 A CA 1.702 53.755 52.037 0.027 0.000 0.620 750 A CB -0.381 18.642 19.000 0.038 0.000 0.822 750 A HN 0.216 nan 8.150 nan 0.000 0.443 751 K N -0.378 120.039 120.400 0.030 0.000 2.057 751 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 751 K C 2.144 178.749 176.600 0.010 0.000 1.049 751 K CA 1.196 57.496 56.287 0.022 0.000 0.931 751 K CB -0.331 32.180 32.500 0.017 0.000 0.714 751 K HN 0.371 nan 8.250 nan 0.000 0.440 752 A N 1.495 124.320 122.820 0.008 0.000 1.908 752 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 752 A C 1.877 179.467 177.584 0.009 0.000 1.181 752 A CA 1.640 53.680 52.037 0.006 0.000 0.627 752 A CB -0.434 18.568 19.000 0.004 0.000 0.818 752 A HN 0.344 nan 8.150 nan 0.000 0.445 753 E N -0.143 120.062 120.200 0.009 0.000 2.150 753 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 753 E C 2.253 178.860 176.600 0.011 0.000 0.985 753 E CA 1.160 57.564 56.400 0.007 0.000 0.814 753 E CB -0.506 29.196 29.700 0.004 0.000 0.752 753 E HN 0.599 nan 8.360 nan 0.000 0.466 754 A N 1.181 124.011 122.820 0.017 0.000 1.929 754 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 754 A C 2.002 179.610 177.584 0.040 0.000 1.176 754 A CA 1.080 53.131 52.037 0.025 0.000 0.628 754 A CB -0.285 18.732 19.000 0.027 0.000 0.816 754 A HN 0.156 nan 8.150 nan 0.000 0.444 755 E N -0.118 120.098 120.200 0.026 0.000 2.150 755 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 755 E C 1.923 178.562 176.600 0.066 0.000 0.985 755 E CA 1.137 57.561 56.400 0.040 0.000 0.814 755 E CB -0.084 29.623 29.700 0.010 0.000 0.752 755 E HN 0.563 nan 8.360 nan 0.000 0.466 756 K N 0.540 120.963 120.400 0.039 0.000 2.097 756 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 756 K C 2.144 178.762 176.600 0.030 0.000 1.050 756 K CA 0.584 56.888 56.287 0.029 0.000 0.938 756 K CB 0.025 32.532 32.500 0.013 0.000 0.718 756 K HN 0.118 nan 8.250 nan 0.000 0.442 757 L N 0.496 121.740 121.223 0.036 0.000 2.072 757 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 757 L C 2.618 179.516 176.870 0.047 0.000 1.079 757 L CA 1.285 56.140 54.840 0.025 0.000 0.752 757 L CB -0.309 41.758 42.059 0.013 0.000 0.906 757 L HN 0.427 nan 8.230 nan 0.000 0.436 758 H N 0.522 119.586 119.070 -0.009 0.000 2.387 758 H HA -0.181 4.375 4.556 -0.000 0.000 0.299 758 H C 1.898 177.226 175.328 -0.001 0.000 1.090 758 H CA 1.612 57.659 56.048 -0.002 0.000 1.332 758 H CB 0.380 30.143 29.762 0.002 0.000 1.386 758 H HN 0.306 nan 8.280 nan 0.000 0.516 759 K N 0.235 120.654 120.400 0.030 0.000 2.228 759 K HA -0.045 4.274 4.320 -0.000 0.000 0.202 759 K C 2.378 178.952 176.600 -0.044 0.000 1.051 759 K CA 0.962 57.239 56.287 -0.016 0.000 0.960 759 K CB 0.213 32.731 32.500 0.031 0.000 0.743 759 K HN 0.242 nan 8.250 nan 0.000 0.458 760 S N 0.680 116.360 115.700 -0.034 0.000 2.453 760 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 760 S C 2.200 176.771 174.600 -0.048 0.000 1.005 760 S CA 1.038 59.219 58.200 -0.032 0.000 0.949 760 S CB -0.165 63.023 63.200 -0.021 0.000 0.774 760 S HN 0.266 nan 8.310 nan 0.000 0.510 761 K N 2.024 122.376 120.400 -0.078 0.000 2.148 761 K HA 0.460 4.780 4.320 -0.000 0.000 0.204 761 K C 0.452 177.005 176.600 -0.078 0.000 1.050 761 K CA 1.151 57.388 56.287 -0.083 0.000 0.942 761 K CB -2.507 29.920 32.500 -0.121 0.000 0.724 761 K HN 1.108 nan 8.250 nan 0.000 0.446 768 D N -0.804 119.663 120.400 0.112 0.000 2.530 768 D HA 0.074 4.714 4.640 -0.000 0.000 0.290 768 D C 0.562 176.963 176.300 0.168 0.000 1.398 768 D CA 0.858 54.925 54.000 0.111 0.000 0.848 768 D CB -0.183 40.663 40.800 0.078 0.000 1.279 768 D HN 0.941 nan 8.370 nan 0.000 0.483 769 W N 0.670 121.963 121.300 -0.011 0.000 2.140 769 W HA -0.449 4.212 4.660 0.000 0.000 0.279 769 W C 0.921 177.441 176.519 0.002 0.000 1.272 769 W CA 1.904 59.247 57.345 -0.002 0.000 1.228 769 W CB -1.559 27.858 29.460 -0.072 0.000 0.892 769 W HN 0.025 nan 8.180 nan 0.000 0.527 770 F N 0.084 120.235 119.950 0.334 0.000 1.871 770 F HA -0.512 4.015 4.527 -0.000 0.000 0.229 770 F C 2.129 177.921 175.800 -0.014 0.000 1.165 770 F CA 3.533 61.618 58.000 0.141 0.000 1.971 770 F CB -1.501 37.519 39.000 0.033 0.000 0.617 770 F HN 0.521 nan 8.300 nan 0.000 0.279 771 E N -0.967 119.261 120.200 0.047 0.000 2.158 771 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 771 E C 2.244 178.753 176.600 -0.152 0.000 0.982 771 E CA 0.770 57.122 56.400 -0.079 0.000 0.823 771 E CB -0.212 29.510 29.700 0.037 0.000 0.766 771 E HN 0.444 nan 8.360 nan 0.000 0.468 772 R N 0.640 121.056 120.500 -0.140 0.000 2.092 772 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 772 R C 2.518 178.631 176.300 -0.312 0.000 1.119 772 R CA 1.585 57.574 56.100 -0.186 0.000 0.970 772 R CB -0.030 30.180 30.300 -0.150 0.000 0.864 772 R HN 0.131 nan 8.270 nan 0.000 0.440 773 S N -0.032 115.365 115.700 -0.505 0.000 2.414 773 S HA -0.035 4.435 4.470 -0.000 0.000 0.227 773 S C 1.601 175.977 174.600 -0.373 0.000 1.022 773 S CA 0.520 58.371 58.200 -0.582 0.000 0.958 773 S CB 0.065 62.642 63.200 -1.038 0.000 0.797 773 S HN 0.240 nan 8.310 nan 0.000 0.493 774 E N 1.415 121.386 120.200 -0.382 0.000 2.106 774 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 774 E C 2.113 178.592 176.600 -0.202 0.000 0.984 774 E CA 1.556 57.767 56.400 -0.315 0.000 0.806 774 E CB -0.767 28.686 29.700 -0.411 0.000 0.750 774 E HN 0.665 nan 8.360 nan 0.000 0.458 775 T N 1.917 116.362 114.554 -0.181 0.000 2.857 775 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 775 T C 2.025 176.664 174.700 -0.103 0.000 1.048 775 T CA 0.432 62.460 62.100 -0.119 0.000 1.139 775 T CB -0.127 68.682 68.868 -0.098 0.000 0.874 775 T HN 0.091 nan 8.240 nan 0.000 0.455 776 L N 0.620 121.768 121.223 -0.125 0.000 2.027 776 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 776 L C 2.744 179.567 176.870 -0.079 0.000 1.074 776 L CA 1.112 55.896 54.840 -0.095 0.000 0.745 776 L CB -0.386 41.605 42.059 -0.114 0.000 0.898 776 L HN 0.252 nan 8.230 nan 0.000 0.433 777 S N -0.254 115.385 115.700 -0.102 0.000 2.419 777 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 777 S C 1.716 176.280 174.600 -0.059 0.000 1.016 777 S CA 1.556 59.711 58.200 -0.076 0.000 0.974 777 S CB -0.489 62.654 63.200 -0.094 0.000 0.786 777 S HN 0.682 nan 8.310 nan 0.000 0.492 778 D N 0.715 121.074 120.400 -0.068 0.000 2.162 778 D HA 0.145 4.785 4.640 -0.000 0.000 0.203 778 D C 1.996 178.274 176.300 -0.037 0.000 0.967 778 D CA 1.058 55.027 54.000 -0.051 0.000 0.840 778 D CB -0.590 40.175 40.800 -0.057 0.000 0.972 778 D HN 0.481 nan 8.370 nan 0.000 0.482 779 L N -0.343 120.857 121.223 -0.038 0.000 2.093 779 L HA -0.004 4.335 4.340 -0.000 0.000 0.208 779 L C 2.770 179.629 176.870 -0.018 0.000 1.085 779 L CA 0.586 55.411 54.840 -0.026 0.000 0.755 779 L CB -0.206 41.838 42.059 -0.025 0.000 0.904 779 L HN 0.278 nan 8.230 nan 0.000 0.435 780 L N -0.282 120.929 121.223 -0.018 0.000 2.156 780 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 780 L C 3.100 179.965 176.870 -0.008 0.000 1.095 780 L CA 1.263 56.098 54.840 -0.009 0.000 0.770 780 L CB -1.021 41.036 42.059 -0.005 0.000 0.914 780 L HN 0.328 nan 8.230 nan 0.000 0.439 781 E N 1.074 121.266 120.200 -0.013 0.000 2.107 781 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 781 E C 2.133 178.727 176.600 -0.010 0.000 0.982 781 E CA 1.155 57.549 56.400 -0.011 0.000 0.809 781 E CB -0.371 29.319 29.700 -0.016 0.000 0.756 781 E HN 0.490 nan 8.360 nan 0.000 0.459 782 K N -0.327 120.066 120.400 -0.012 0.000 2.097 782 K HA 0.105 4.425 4.320 -0.000 0.000 0.205 782 K C 2.449 179.044 176.600 -0.007 0.000 1.050 782 K CA 0.911 57.191 56.287 -0.010 0.000 0.938 782 K CB -0.039 32.453 32.500 -0.013 0.000 0.718 782 K HN 0.340 nan 8.250 nan 0.000 0.442 783 A N 1.195 124.012 122.820 -0.006 0.000 2.206 783 A HA 0.036 4.356 4.320 -0.000 0.000 0.211 783 A C 0.732 178.314 177.584 -0.002 0.000 1.158 783 A CA 1.301 53.336 52.037 -0.004 0.000 0.761 783 A CB -0.844 18.154 19.000 -0.003 0.000 0.801 783 A HN 0.529 nan 8.150 nan 0.000 0.473 784 D N -0.870 119.528 120.400 -0.002 0.000 2.723 784 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 784 D C 0.541 176.842 176.300 0.002 0.000 1.138 784 D CA 1.375 55.375 54.000 -0.001 0.000 0.676 784 D CB -2.569 38.230 40.800 -0.002 0.000 1.069 784 D HN 1.342 nan 8.370 nan 0.000 0.430 785 I N -5.023 115.549 120.570 0.004 0.000 4.181 785 I HA 0.633 4.803 4.170 -0.000 0.000 0.331 785 I C 1.478 177.602 176.117 0.013 0.000 1.312 785 I CA 0.428 61.732 61.300 0.007 0.000 1.146 785 I CB 0.613 38.618 38.000 0.008 0.000 1.074 785 I HN 0.689 nan 8.210 nan 0.000 0.402 786 A N 2.453 125.280 122.820 0.011 0.000 2.454 786 A HA 0.480 4.800 4.320 -0.000 0.000 0.260 786 A C 0.814 178.411 177.584 0.022 0.000 1.106 786 A CA 0.161 52.208 52.037 0.017 0.000 0.780 786 A CB -0.121 18.885 19.000 0.009 0.000 1.044 786 A HN 0.574 nan 8.150 nan 0.000 0.498 787 S N 1.854 117.573 115.700 0.033 0.000 2.593 787 S HA 0.575 5.045 4.470 -0.000 0.000 0.269 787 S C 0.499 175.129 174.600 0.050 0.000 1.334 787 S CA -0.028 58.198 58.200 0.044 0.000 1.015 787 S CB 0.564 63.798 63.200 0.056 0.000 0.912 787 S HN 1.255 nan 8.310 nan 0.000 0.541 788 K N 1.293 121.734 120.400 0.069 0.000 2.258 788 K HA 0.504 4.824 4.320 -0.000 0.000 0.264 788 K C 0.061 176.704 176.600 0.071 0.000 1.007 788 K CA -0.453 55.879 56.287 0.075 0.000 0.941 788 K CB -0.177 32.387 32.500 0.107 0.000 0.966 788 K HN 0.722 nan 8.250 nan 0.000 0.480 789 V N 1.187 121.123 119.914 0.035 0.000 2.673 789 V HA 0.366 4.486 4.120 -0.000 0.000 0.303 789 V C 1.642 177.707 176.094 -0.049 0.000 1.046 789 V CA 1.132 63.431 62.300 -0.000 0.000 1.126 789 V CB 0.014 31.831 31.823 -0.009 0.000 0.934 789 V HN 1.897 nan 8.190 nan 0.000 0.487 790 A N 3.315 126.081 122.820 -0.091 0.000 3.396 790 A HA -0.205 4.115 4.320 -0.000 0.000 0.267 790 A C 0.603 177.961 177.584 -0.377 0.000 1.139 790 A CA 1.257 53.165 52.037 -0.215 0.000 1.115 790 A CB -2.116 16.709 19.000 -0.291 0.000 1.133 790 A HN 1.039 nan 8.150 nan 0.000 0.920 791 H N 0.059 119.132 119.070 0.006 0.000 2.779 791 H HA 0.328 4.884 4.556 -0.000 0.000 0.230 791 H C 0.616 175.951 175.328 0.013 0.000 1.365 791 H CA 0.385 56.438 56.048 0.008 0.000 1.086 791 H CB 0.068 29.834 29.762 0.007 0.000 2.038 791 H HN 0.805 nan 8.280 nan 0.000 0.558 792 S N -0.439 115.316 115.700 0.092 0.000 2.600 792 S HA 0.316 4.786 4.470 -0.000 0.000 0.265 792 S C 1.780 176.424 174.600 0.074 0.000 1.325 792 S CA -0.017 58.227 58.200 0.074 0.000 1.002 792 S CB 1.661 64.895 63.200 0.057 0.000 0.921 792 S HN 0.351 nan 8.310 nan 0.000 0.554 793 A N 1.082 123.940 122.820 0.063 0.000 1.940 793 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 793 A C 2.094 179.704 177.584 0.045 0.000 1.176 793 A CA 1.409 53.476 52.037 0.050 0.000 0.631 793 A CB -0.971 18.055 19.000 0.043 0.000 0.814 793 A HN 0.865 nan 8.150 nan 0.000 0.446 794 L N -0.387 120.863 121.223 0.044 0.000 2.056 794 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 794 L C 2.442 179.331 176.870 0.032 0.000 1.078 794 L CA 1.367 56.225 54.840 0.031 0.000 0.749 794 L CB -0.204 41.875 42.059 0.033 0.000 0.901 794 L HN 0.290 nan 8.230 nan 0.000 0.433 795 V N -0.533 119.405 119.914 0.041 0.000 2.427 795 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 795 V C 2.459 178.593 176.094 0.066 0.000 1.051 795 V CA 1.348 63.674 62.300 0.043 0.000 1.048 795 V CB -0.493 31.352 31.823 0.037 0.000 0.666 795 V HN 0.421 nan 8.190 nan 0.000 0.456 796 E N 0.041 120.287 120.200 0.076 0.000 2.072 796 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 796 E C 2.427 179.060 176.600 0.055 0.000 0.985 796 E CA 1.815 58.257 56.400 0.071 0.000 0.801 796 E CB -0.547 29.188 29.700 0.059 0.000 0.750 796 E HN 0.595 nan 8.360 nan 0.000 0.452 797 T N 0.069 114.653 114.554 0.051 0.000 2.867 797 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 797 T C 2.097 176.834 174.700 0.061 0.000 1.057 797 T CA 1.538 63.672 62.100 0.057 0.000 1.136 797 T CB -0.005 68.895 68.868 0.052 0.000 0.874 797 T HN -0.013 nan 8.240 nan 0.000 0.466 798 S N 1.157 116.885 115.700 0.047 0.000 2.368 798 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 798 S C 1.737 176.366 174.600 0.048 0.000 1.030 798 S CA 1.491 59.716 58.200 0.042 0.000 0.999 798 S CB -0.458 62.755 63.200 0.022 0.000 0.844 798 S HN 0.623 nan 8.310 nan 0.000 0.459 799 D N 1.722 122.151 120.400 0.048 0.000 2.144 799 D HA 0.028 4.668 4.640 -0.000 0.000 0.200 799 D C 2.001 178.330 176.300 0.049 0.000 0.978 799 D CA 1.132 55.158 54.000 0.045 0.000 0.833 799 D CB -0.447 40.383 40.800 0.050 0.000 0.961 799 D HN 0.403 nan 8.370 nan 0.000 0.470 800 A N 0.236 123.091 122.820 0.059 0.000 2.014 800 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 800 A C 2.217 179.860 177.584 0.099 0.000 1.163 800 A CA 0.559 52.638 52.037 0.069 0.000 0.652 800 A CB -0.540 18.503 19.000 0.072 0.000 0.808 800 A HN 0.194 nan 8.150 nan 0.000 0.449 801 L N -0.478 120.812 121.223 0.112 0.000 2.240 801 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 801 L C 1.833 178.792 176.870 0.149 0.000 1.106 801 L CA 1.410 56.349 54.840 0.165 0.000 0.793 801 L CB -0.170 41.985 42.059 0.160 0.000 0.927 801 L HN 0.692 nan 8.230 nan 0.000 0.446 802 E N -0.365 119.881 120.200 0.078 0.000 2.651 802 E HA 0.337 4.687 4.350 -0.000 0.000 0.208 802 E C 0.199 176.794 176.600 -0.009 0.000 0.997 802 E CA -0.160 56.255 56.400 0.026 0.000 1.020 802 E CB 0.654 30.368 29.700 0.024 0.000 1.052 802 E HN 0.149 nan 8.360 nan 0.000 0.465 803 A N 1.264 124.085 122.820 0.003 0.000 2.978 803 A HA 0.617 4.937 4.320 -0.000 0.000 0.341 803 A C 0.356 177.930 177.584 -0.017 0.000 1.105 803 A CA -0.464 51.569 52.037 -0.008 0.000 0.819 803 A CB 0.082 19.088 19.000 0.009 0.000 1.080 803 A HN 0.305 nan 8.150 nan 0.000 0.476 804 V N 0.000 119.879 119.914 -0.059 0.000 2.409 804 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 804 V CA 0.000 62.260 62.300 -0.068 0.000 1.235 804 V CB 0.000 nan 31.823 nan 0.000 1.184 804 V HN 0.000 nan 8.190 nan 0.000 0.556