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 1kgx_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFQLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.930 175.900 0.050 0.000 1.272 2 Y CA 0.000 58.191 58.100 0.152 0.000 1.940 2 Y CB 0.000 38.482 38.460 0.036 0.000 1.050 3 S N 3.870 119.618 115.700 0.079 0.000 2.537 3 S HA 0.253 4.723 4.470 -0.000 0.000 0.275 3 S C -1.867 172.386 174.600 -0.578 0.000 1.272 3 S CA -0.887 57.184 58.200 -0.216 0.000 1.050 3 S CB 1.374 64.517 63.200 -0.095 0.000 0.961 3 S HN -0.021 nan 8.310 nan 0.000 0.496 4 P HA 0.024 nan 4.420 nan 0.000 0.223 4 P C 0.031 177.112 177.300 -0.365 0.000 1.151 4 P CA 0.479 62.689 63.100 -1.483 0.000 0.787 4 P CB -0.002 30.663 31.700 -1.725 0.000 0.788 5 N N -2.492 116.086 118.700 -0.203 0.000 2.850 5 N HA -0.103 4.637 4.740 -0.000 0.000 0.249 5 N C -0.037 175.538 175.510 0.109 0.000 1.060 5 N CA 1.469 54.531 53.050 0.020 0.000 0.825 5 N CB -2.402 36.113 38.487 0.047 0.000 1.132 5 N HN 0.336 nan 8.380 nan 0.000 0.564 6 T N -2.295 112.282 114.554 0.038 0.000 2.813 6 T HA 0.243 4.593 4.350 -0.000 0.000 0.297 6 T C 0.515 175.249 174.700 0.058 0.000 1.036 6 T CA -0.389 61.767 62.100 0.092 0.000 1.044 6 T CB 1.801 70.741 68.868 0.120 0.000 0.993 6 T HN 0.194 nan 8.240 nan 0.000 0.535 7 Q N 0.850 120.677 119.800 0.045 0.000 2.327 7 Q HA 0.084 4.424 4.340 -0.000 0.000 0.254 7 Q C 0.040 176.049 176.000 0.015 0.000 0.952 7 Q CA -0.677 55.136 55.803 0.018 0.000 0.884 7 Q CB 0.529 29.267 28.738 -0.000 0.000 1.224 7 Q HN 0.549 nan 8.270 nan 0.000 0.422 8 Q N 1.740 121.544 119.800 0.007 0.000 2.262 8 Q HA 0.028 4.367 4.340 -0.000 0.000 0.298 8 Q C 0.556 176.552 176.000 -0.007 0.000 1.083 8 Q CA 1.185 56.988 55.803 0.000 0.000 0.962 8 Q CB 0.521 29.258 28.738 -0.003 0.000 1.104 8 Q HN 1.057 nan 8.270 nan 0.000 0.376 9 G N 2.885 111.678 108.800 -0.012 0.000 2.316 9 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.203 9 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.203 9 G C -0.080 174.797 174.900 -0.038 0.000 0.999 9 G CA -0.620 44.463 45.100 -0.029 0.000 0.649 9 G HN 0.435 nan 8.290 nan 0.000 0.489 10 R N 1.528 122.020 120.500 -0.013 0.000 2.265 10 R HA 0.598 4.938 4.340 -0.000 0.000 0.319 10 R C 0.781 177.088 176.300 0.012 0.000 1.006 10 R CA 0.388 56.480 56.100 -0.014 0.000 0.880 10 R CB 0.933 31.251 30.300 0.030 0.000 1.077 10 R HN 0.507 nan 8.270 nan 0.000 0.454 11 T N -2.770 111.739 114.554 -0.075 0.000 3.091 11 T HA 0.272 4.622 4.350 -0.000 0.000 0.277 11 T C 0.316 174.712 174.700 -0.507 0.000 0.996 11 T CA -0.282 61.736 62.100 -0.137 0.000 0.897 11 T CB 0.415 69.192 68.868 -0.150 0.000 1.109 11 T HN 0.262 nan 8.240 nan 0.000 0.534 12 S N 1.360 116.848 115.700 -0.353 0.000 2.564 12 S HA 0.783 5.253 4.470 -0.000 0.000 0.274 12 S C -0.941 173.611 174.600 -0.080 0.000 1.124 12 S CA -1.044 56.891 58.200 -0.442 0.000 0.869 12 S CB 1.775 64.793 63.200 -0.303 0.000 1.105 12 S HN 0.591 nan 8.310 nan 0.000 0.472 13 I N -0.526 120.025 120.570 -0.031 0.000 2.646 13 I HA 0.893 5.063 4.170 -0.000 0.000 0.299 13 I C -1.008 175.183 176.117 0.122 0.000 1.036 13 I CA -0.986 60.399 61.300 0.142 0.000 1.074 13 I CB 1.786 39.873 38.000 0.146 0.000 1.258 13 I HN 0.441 nan 8.210 nan 0.000 0.430 14 V N 4.592 124.578 119.914 0.119 0.000 2.555 14 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 14 V C -0.956 175.143 176.094 0.009 0.000 1.038 14 V CA -0.322 61.990 62.300 0.019 0.000 0.887 14 V CB 1.480 33.191 31.823 -0.188 0.000 0.991 14 V HN 0.878 nan 8.190 nan 0.000 0.434 15 H N 6.856 125.873 119.070 -0.088 0.000 2.911 15 H HA 0.394 4.950 4.556 -0.000 0.000 0.273 15 H C -0.364 174.877 175.328 -0.146 0.000 1.157 15 H CA -0.539 55.477 56.048 -0.052 0.000 1.402 15 H CB 0.437 30.203 29.762 0.007 0.000 1.463 15 H HN 0.635 nan 8.280 nan 0.000 0.475 16 L N 7.054 128.145 121.223 -0.220 0.000 2.399 16 L HA 0.091 4.431 4.340 -0.000 0.000 0.257 16 L C 0.093 176.801 176.870 -0.271 0.000 1.236 16 L CA -0.630 53.795 54.840 -0.693 0.000 1.144 16 L CB -0.700 40.664 42.059 -1.159 0.000 1.379 16 L HN 0.461 nan 8.230 nan 0.000 0.414 17 F N 4.439 124.098 119.950 -0.485 0.000 2.569 17 F HA -0.050 4.477 4.527 -0.001 0.000 0.395 17 F C 1.373 177.385 175.800 0.353 0.000 1.028 17 F CA 0.222 58.054 58.000 -0.281 0.000 1.158 17 F CB -0.189 38.591 39.000 -0.368 0.000 1.023 17 F HN 0.524 nan 8.300 nan 0.000 0.547 18 E N 2.441 122.651 120.200 0.017 0.000 3.286 18 E HA -0.304 4.046 4.350 -0.000 0.000 0.292 18 E C -0.533 176.191 176.600 0.208 0.000 0.928 18 E CA 0.862 57.260 56.400 -0.005 0.000 0.982 18 E CB -1.677 27.871 29.700 -0.254 0.000 1.500 18 E HN 0.612 nan 8.360 nan 0.000 0.441 19 W N 1.411 122.658 121.300 -0.088 0.000 2.150 19 W HA 0.219 4.879 4.660 -0.001 0.000 0.341 19 W C 1.504 177.867 176.519 -0.259 0.000 1.276 19 W CA -0.053 57.133 57.345 -0.265 0.000 1.238 19 W CB 0.288 29.600 29.460 -0.247 0.000 1.128 19 W HN -0.100 nan 8.180 nan 0.000 0.581 20 R N 1.480 121.908 120.500 -0.121 0.000 2.582 20 R HA 0.081 4.421 4.340 -0.000 0.000 0.271 20 R C 1.053 177.397 176.300 0.074 0.000 1.078 20 R CA -0.290 55.683 56.100 -0.212 0.000 1.127 20 R CB 0.507 30.697 30.300 -0.184 0.000 1.038 20 R HN 0.692 nan 8.270 nan 0.000 0.500 21 W N 0.746 122.103 121.300 0.096 0.000 2.338 21 W HA -0.217 4.443 4.660 -0.000 0.000 0.304 21 W C 1.942 178.482 176.519 0.035 0.000 1.212 21 W CA 0.158 57.552 57.345 0.081 0.000 1.264 21 W CB -0.254 29.272 29.460 0.111 0.000 1.142 21 W HN 0.433 nan 8.180 nan 0.000 0.512 22 V N 0.988 121.045 119.914 0.239 0.000 2.407 22 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 22 V C 1.727 177.873 176.094 0.086 0.000 1.055 22 V CA 2.368 64.743 62.300 0.125 0.000 1.049 22 V CB -0.496 31.368 31.823 0.068 0.000 0.662 22 V HN 0.050 nan 8.190 nan 0.000 0.455 23 D N -0.161 120.277 120.400 0.064 0.000 2.149 23 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 23 D C 2.066 178.501 176.300 0.226 0.000 0.972 23 D CA 1.618 55.638 54.000 0.033 0.000 0.835 23 D CB -0.061 40.614 40.800 -0.208 0.000 0.966 23 D HN 0.506 nan 8.370 nan 0.000 0.476 24 I N 1.195 121.945 120.570 0.300 0.000 2.252 24 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 24 I C 2.508 178.686 176.117 0.103 0.000 1.102 24 I CA 0.760 62.199 61.300 0.232 0.000 1.385 24 I CB -0.187 37.943 38.000 0.217 0.000 1.064 24 I HN -0.097 nan 8.210 nan 0.000 0.414 25 A N 1.079 123.951 122.820 0.086 0.000 1.908 25 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 25 A C 2.308 179.915 177.584 0.038 0.000 1.181 25 A CA 1.485 53.537 52.037 0.026 0.000 0.627 25 A CB -0.817 18.197 19.000 0.024 0.000 0.818 25 A HN 0.372 nan 8.150 nan 0.000 0.445 26 L N -1.194 120.067 121.223 0.063 0.000 2.027 26 L HA -0.177 4.162 4.340 -0.000 0.000 0.206 26 L C 2.668 179.589 176.870 0.085 0.000 1.074 26 L CA 1.709 56.586 54.840 0.062 0.000 0.745 26 L CB -0.444 41.646 42.059 0.051 0.000 0.898 26 L HN 0.439 nan 8.230 nan 0.000 0.433 27 E N -0.349 119.924 120.200 0.123 0.000 2.118 27 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 27 E C 2.240 178.900 176.600 0.100 0.000 0.992 27 E CA 1.438 57.926 56.400 0.147 0.000 0.804 27 E CB -0.281 29.532 29.700 0.188 0.000 0.741 27 E HN 0.422 nan 8.360 nan 0.000 0.458 28 c N 0.346 118.972 118.600 0.044 0.000 2.429 28 c HA -0.103 4.467 4.570 -0.000 0.000 0.277 28 c C 2.363 176.475 174.090 0.035 0.000 1.262 28 c CA 1.254 57.591 56.329 0.014 0.000 1.733 28 c CB -0.824 41.667 42.510 -0.032 0.000 2.010 28 c HN 0.537 nan 8.230 nan 0.000 0.483 29 E N 0.135 120.359 120.200 0.040 0.000 2.076 29 E HA -0.125 4.224 4.350 -0.000 0.000 0.190 29 E C 2.367 179.005 176.600 0.064 0.000 0.979 29 E CA 0.719 57.143 56.400 0.040 0.000 0.807 29 E CB -0.195 29.524 29.700 0.032 0.000 0.761 29 E HN 0.669 nan 8.360 nan 0.000 0.454 30 R N -0.858 119.699 120.500 0.096 0.000 2.246 30 R HA -0.016 4.324 4.340 -0.000 0.000 0.199 30 R C 1.117 177.540 176.300 0.205 0.000 0.984 30 R CA 0.995 57.170 56.100 0.125 0.000 1.015 30 R CB 0.134 30.506 30.300 0.120 0.000 0.930 30 R HN 0.259 nan 8.270 nan 0.000 0.475 31 Y N -0.182 120.148 120.300 0.049 0.000 3.147 31 Y HA 0.243 4.793 4.550 -0.000 0.000 0.219 31 Y C 1.707 177.658 175.900 0.085 0.000 1.021 31 Y CA -0.265 57.875 58.100 0.066 0.000 1.440 31 Y CB 0.132 38.627 38.460 0.059 0.000 1.472 31 Y HN -0.154 nan 8.280 nan 0.000 0.408 32 L N 0.742 122.080 121.223 0.192 0.000 1.990 32 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 32 L C 2.640 179.601 176.870 0.150 0.000 1.072 32 L CA 1.774 56.684 54.840 0.117 0.000 0.755 32 L CB -0.992 41.076 42.059 0.014 0.000 0.889 32 L HN 0.422 nan 8.230 nan 0.000 0.432 33 A N 0.403 123.268 122.820 0.076 0.000 1.845 33 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 33 A C 0.107 177.706 177.584 0.025 0.000 1.195 33 A CA 1.714 53.779 52.037 0.048 0.000 0.616 33 A CB -1.910 17.103 19.000 0.023 0.000 0.832 33 A HN 0.312 nan 8.150 nan 0.000 0.443 34 P HA -0.091 nan 4.420 nan 0.000 0.218 34 P C 0.807 178.069 177.300 -0.064 0.000 1.149 34 P CA 1.265 64.346 63.100 -0.031 0.000 0.817 34 P CB 0.007 31.687 31.700 -0.033 0.000 0.785 35 K N -1.400 118.940 120.400 -0.100 0.000 2.444 35 K HA 0.315 4.635 4.320 -0.000 0.000 0.193 35 K C 1.123 177.696 176.600 -0.045 0.000 1.024 35 K CA 0.551 56.776 56.287 -0.104 0.000 1.077 35 K CB -0.850 31.491 32.500 -0.265 0.000 0.833 35 K HN 0.128 nan 8.250 nan 0.000 0.517 36 G N 0.517 109.316 108.800 -0.003 0.000 2.160 36 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 36 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 36 G C -0.265 174.573 174.900 -0.104 0.000 1.022 36 G CA -0.382 44.681 45.100 -0.062 0.000 0.741 36 G HN 0.185 nan 8.290 nan 0.000 0.508 37 F N 0.404 120.338 119.950 -0.026 0.000 2.412 37 F HA 0.510 5.037 4.527 -0.000 0.000 0.348 37 F C 1.805 177.613 175.800 0.014 0.000 1.102 37 F CA 0.833 58.833 58.000 -0.000 0.000 1.196 37 F CB 1.425 40.439 39.000 0.023 0.000 1.144 37 F HN 0.002 nan 8.300 nan 0.000 0.541 38 G N 1.464 110.367 108.800 0.171 0.000 2.430 38 G HA2 0.385 4.344 3.960 -0.000 0.000 0.216 38 G HA3 0.385 4.344 3.960 -0.000 0.000 0.216 38 G C 0.508 175.544 174.900 0.226 0.000 1.146 38 G CA 0.699 45.902 45.100 0.172 0.000 0.793 38 G HN 1.008 nan 8.290 nan 0.000 0.537 39 G N -2.111 106.854 108.800 0.276 0.000 2.488 39 G HA2 0.464 4.424 3.960 -0.000 0.000 0.301 39 G HA3 0.464 4.424 3.960 -0.000 0.000 0.301 39 G C -2.215 172.826 174.900 0.234 0.000 1.339 39 G CA -0.224 45.051 45.100 0.292 0.000 0.803 39 G HN 0.475 nan 8.290 nan 0.000 0.482 40 V N 0.307 120.350 119.914 0.215 0.000 2.638 40 V HA 0.567 4.686 4.120 -0.000 0.000 0.306 40 V C -0.304 175.931 176.094 0.236 0.000 1.052 40 V CA -0.656 61.718 62.300 0.122 0.000 0.885 40 V CB 1.718 33.521 31.823 -0.033 0.000 0.999 40 V HN 0.871 nan 8.190 nan 0.000 0.424 41 Q N 3.223 123.161 119.800 0.230 0.000 2.278 41 Q HA 0.662 5.002 4.340 -0.000 0.000 0.257 41 Q C -0.745 175.431 176.000 0.292 0.000 0.928 41 Q CA -0.452 55.502 55.803 0.251 0.000 0.932 41 Q CB 1.862 30.678 28.738 0.130 0.000 1.221 41 Q HN 0.805 nan 8.270 nan 0.000 0.434 42 V N 1.046 121.125 119.914 0.275 0.000 2.850 42 V HA 0.610 4.730 4.120 -0.000 0.000 0.315 42 V C 0.026 176.398 176.094 0.464 0.000 1.064 42 V CA -0.833 61.712 62.300 0.408 0.000 0.979 42 V CB 1.722 33.773 31.823 0.379 0.000 1.039 42 V HN 0.785 nan 8.190 nan 0.000 0.452 43 S N 3.041 119.094 115.700 0.588 0.000 2.589 43 S HA 0.327 4.797 4.470 -0.000 0.000 0.265 43 S C -2.385 172.494 174.600 0.464 0.000 1.342 43 S CA -0.296 58.220 58.200 0.527 0.000 1.005 43 S CB 0.119 63.593 63.200 0.457 0.000 0.909 43 S HN 0.858 nan 8.310 nan 0.000 0.555 44 P HA 0.047 nan 4.420 nan 0.000 0.258 44 P C -1.945 175.550 177.300 0.324 0.000 1.172 44 P CA -0.686 62.550 63.100 0.228 0.000 0.762 44 P CB -0.002 31.734 31.700 0.059 0.000 0.764 45 P HA -0.031 nan 4.420 nan 0.000 0.255 45 P C -0.180 177.236 177.300 0.193 0.000 1.248 45 P CA 0.557 63.854 63.100 0.328 0.000 0.807 45 P CB 0.172 31.787 31.700 -0.141 0.000 1.150 46 N N 0.330 119.125 118.700 0.158 0.000 2.495 46 N HA 0.068 4.808 4.740 -0.000 0.000 0.280 46 N C -0.232 175.284 175.510 0.011 0.000 1.168 46 N CA -0.538 52.548 53.050 0.059 0.000 0.978 46 N CB 1.338 39.782 38.487 -0.073 0.000 1.191 46 N HN -0.063 nan 8.380 nan 0.000 0.497 47 E N 0.299 120.478 120.200 -0.036 0.000 2.465 47 E HA -0.083 4.267 4.350 -0.000 0.000 0.260 47 E C -0.370 176.169 176.600 -0.102 0.000 0.980 47 E CA 0.044 56.410 56.400 -0.056 0.000 0.927 47 E CB 0.277 29.935 29.700 -0.070 0.000 0.934 47 E HN 0.718 nan 8.360 nan 0.000 0.459 48 N N 1.899 120.549 118.700 -0.084 0.000 2.577 48 N HA 0.252 4.991 4.740 -0.000 0.000 0.285 48 N C -0.877 174.543 175.510 -0.150 0.000 1.309 48 N CA -0.759 52.230 53.050 -0.102 0.000 0.798 48 N CB 1.031 39.505 38.487 -0.022 0.000 1.463 48 N HN 0.154 nan 8.380 nan 0.000 0.518 49 V N 0.274 120.088 119.914 -0.166 0.000 2.637 49 V HA 0.318 4.438 4.120 -0.000 0.000 0.296 49 V C 0.648 176.684 176.094 -0.097 0.000 1.046 49 V CA -0.521 61.684 62.300 -0.159 0.000 1.066 49 V CB 0.608 32.377 31.823 -0.090 0.000 0.968 49 V HN 0.844 nan 8.190 nan 0.000 0.483 50 A N 7.148 129.935 122.820 -0.055 0.000 2.316 50 A HA 0.643 4.963 4.320 -0.000 0.000 0.311 50 A C -0.299 177.152 177.584 -0.221 0.000 1.339 50 A CA -0.330 51.601 52.037 -0.176 0.000 0.960 50 A CB -0.258 18.700 19.000 -0.070 0.000 1.152 50 A HN 0.758 nan 8.150 nan 0.000 0.547 51 I N 2.404 122.739 120.570 -0.391 0.000 2.336 51 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 51 I C -0.270 175.519 176.117 -0.548 0.000 0.991 51 I CA -0.164 60.948 61.300 -0.313 0.000 1.227 51 I CB 1.324 39.162 38.000 -0.270 0.000 1.366 51 I HN 0.785 nan 8.210 nan 0.000 0.466 52 Y N 3.351 123.577 120.300 -0.123 0.000 2.467 52 Y HA 0.196 4.746 4.550 -0.001 0.000 0.250 52 Y C 0.579 176.468 175.900 -0.018 0.000 1.155 52 Y CA -0.328 57.735 58.100 -0.061 0.000 1.249 52 Y CB 0.363 38.843 38.460 0.033 0.000 1.146 52 Y HN 0.524 nan 8.280 nan 0.000 0.524 53 N N 1.353 120.054 118.700 0.002 0.000 2.653 53 N HA 0.222 4.962 4.740 -0.000 0.000 0.261 53 N C -2.997 172.421 175.510 -0.152 0.000 1.216 53 N CA -1.720 51.292 53.050 -0.063 0.000 0.784 53 N CB 1.108 39.597 38.487 0.003 0.000 1.327 53 N HN -0.175 nan 8.380 nan 0.000 0.539 54 P HA 0.146 nan 4.420 nan 0.000 0.272 54 P C -0.492 176.588 177.300 -0.368 0.000 1.254 54 P CA -0.313 62.388 63.100 -0.665 0.000 0.795 54 P CB 0.545 31.251 31.700 -1.656 0.000 1.022 55 F N 2.592 122.352 119.950 -0.317 0.000 2.490 55 F HA 0.118 4.645 4.527 -0.001 0.000 0.357 55 F C 0.671 176.426 175.800 -0.076 0.000 1.166 55 F CA -0.186 57.763 58.000 -0.085 0.000 1.116 55 F CB -0.277 38.768 39.000 0.075 0.000 1.171 55 F HN 0.214 nan 8.300 nan 0.000 0.576 56 R N 3.242 123.287 120.500 -0.757 0.000 3.146 56 R HA -0.148 4.192 4.340 -0.000 0.000 0.250 56 R C -2.709 173.342 176.300 -0.416 0.000 0.912 56 R CA 0.230 55.905 56.100 -0.708 0.000 0.633 56 R CB -2.522 27.258 30.300 -0.867 0.000 1.180 56 R HN 0.391 nan 8.270 nan 0.000 0.464 57 P HA -0.007 nan 4.420 nan 0.000 0.274 57 P C 1.497 178.440 177.300 -0.594 0.000 1.246 57 P CA -0.486 62.250 63.100 -0.608 0.000 0.795 57 P CB 0.213 31.014 31.700 -1.498 0.000 1.006 58 W N 2.380 123.473 121.300 -0.345 0.000 2.402 58 W HA -0.089 4.570 4.660 -0.000 0.000 0.286 58 W C 1.526 178.000 176.519 -0.074 0.000 1.221 58 W CA 0.710 57.977 57.345 -0.130 0.000 1.257 58 W CB -1.633 27.909 29.460 0.137 0.000 1.120 58 W HN 0.439 nan 8.180 nan 0.000 0.551 59 W N 3.342 124.009 121.300 -1.054 0.000 3.077 59 W HA 0.050 4.710 4.660 -0.000 0.000 0.245 59 W C 1.591 177.914 176.519 -0.326 0.000 1.316 59 W CA 0.834 57.571 57.345 -1.014 0.000 1.537 59 W CB -1.390 27.188 29.460 -1.469 0.000 1.131 59 W HN 0.212 nan 8.180 nan 0.000 0.695 60 E N 1.860 121.937 120.200 -0.206 0.000 2.268 60 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 60 E C 1.811 178.479 176.600 0.113 0.000 0.995 60 E CA 0.791 57.161 56.400 -0.050 0.000 0.836 60 E CB -0.504 29.029 29.700 -0.278 0.000 0.763 60 E HN 0.230 nan 8.360 nan 0.000 0.491 61 R N -0.389 120.248 120.500 0.230 0.000 2.339 61 R HA 0.002 4.342 4.340 -0.000 0.000 0.199 61 R C 0.525 177.151 176.300 0.543 0.000 1.018 61 R CA 0.683 56.998 56.100 0.360 0.000 1.036 61 R CB -0.019 30.546 30.300 0.441 0.000 0.899 61 R HN 0.410 nan 8.270 nan 0.000 0.473 62 Y N 0.030 120.443 120.300 0.188 0.000 2.607 62 Y HA 0.194 4.744 4.550 -0.000 0.000 0.266 62 Y C 0.271 176.321 175.900 0.252 0.000 1.178 62 Y CA -0.413 57.835 58.100 0.246 0.000 1.226 62 Y CB 0.744 39.388 38.460 0.306 0.000 1.144 62 Y HN -0.086 nan 8.280 nan 0.000 0.528 63 Q N 1.522 121.480 119.800 0.264 0.000 2.798 63 Q HA 0.260 4.600 4.340 -0.000 0.000 0.250 63 Q C -2.779 173.239 176.000 0.030 0.000 1.006 63 Q CA -2.063 53.838 55.803 0.164 0.000 0.759 63 Q CB 1.281 30.098 28.738 0.132 0.000 1.201 63 Q HN 0.065 nan 8.270 nan 0.000 0.486 64 P HA -0.035 nan 4.420 nan 0.000 0.268 64 P C 0.232 177.409 177.300 -0.205 0.000 1.205 64 P CA 0.068 63.079 63.100 -0.148 0.000 0.771 64 P CB 1.208 32.786 31.700 -0.203 0.000 0.858 65 V N 0.711 120.474 119.914 -0.252 0.000 3.572 65 V HA 0.121 4.240 4.120 -0.000 0.000 0.260 65 V C 0.801 176.806 176.094 -0.149 0.000 1.324 65 V CA 1.443 63.615 62.300 -0.212 0.000 1.068 65 V CB 0.480 32.031 31.823 -0.452 0.000 0.837 65 V HN 0.852 nan 8.190 nan 0.000 0.450 66 S N -2.152 113.345 115.700 -0.338 0.000 2.694 66 S HA 0.407 4.877 4.470 -0.000 0.000 0.273 66 S C -1.013 173.182 174.600 -0.675 0.000 1.180 66 S CA -0.374 57.536 58.200 -0.482 0.000 0.864 66 S CB 0.759 63.835 63.200 -0.207 0.000 1.198 66 S HN -0.063 nan 8.310 nan 0.000 0.499 67 Y N 0.840 120.984 120.300 -0.260 0.000 2.681 67 Y HA 0.487 5.037 4.550 -0.000 0.000 0.267 67 Y C 0.412 176.214 175.900 -0.163 0.000 1.166 67 Y CA -0.823 57.030 58.100 -0.411 0.000 1.209 67 Y CB -0.127 38.026 38.460 -0.512 0.000 1.161 67 Y HN 0.406 nan 8.280 nan 0.000 0.534 68 K N 0.803 121.198 120.400 -0.010 0.000 2.322 68 K HA 0.192 4.512 4.320 -0.000 0.000 0.283 68 K C -0.426 176.219 176.600 0.075 0.000 1.042 68 K CA -0.450 55.862 56.287 0.043 0.000 0.958 68 K CB 0.638 33.152 32.500 0.023 0.000 0.984 68 K HN -0.039 nan 8.250 nan 0.000 0.473 69 L N 3.917 125.206 121.223 0.110 0.000 2.376 69 L HA 0.047 4.387 4.340 -0.000 0.000 0.250 69 L C -0.447 176.515 176.870 0.154 0.000 1.335 69 L CA 0.284 55.181 54.840 0.096 0.000 1.214 69 L CB -0.660 41.415 42.059 0.026 0.000 1.395 69 L HN 0.596 nan 8.230 nan 0.000 0.424 70 c N 1.479 120.158 118.600 0.132 0.000 2.660 70 c HA 0.754 5.324 4.570 -0.000 0.000 0.336 70 c C 0.411 174.553 174.090 0.087 0.000 1.058 70 c CA -0.082 56.318 56.329 0.119 0.000 1.368 70 c CB 0.163 42.721 42.510 0.080 0.000 1.884 70 c HN 0.864 nan 8.230 nan 0.000 0.454 71 T N 1.648 116.252 114.554 0.084 0.000 2.754 71 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 71 T C 0.904 175.560 174.700 -0.074 0.000 1.205 71 T CA -0.676 61.430 62.100 0.010 0.000 1.009 71 T CB 1.058 69.948 68.868 0.037 0.000 1.368 71 T HN 0.492 nan 8.240 nan 0.000 0.509 72 R N 0.108 120.538 120.500 -0.116 0.000 2.241 72 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 72 R C 2.015 178.163 176.300 -0.255 0.000 1.101 72 R CA 0.965 56.975 56.100 -0.151 0.000 0.995 72 R CB -0.407 29.805 30.300 -0.147 0.000 0.870 72 R HN 0.555 nan 8.270 nan 0.000 0.463 73 S N -0.543 114.896 115.700 -0.434 0.000 2.470 73 S HA 0.125 4.595 4.470 -0.000 0.000 0.225 73 S C 0.728 174.739 174.600 -0.981 0.000 1.006 73 S CA 0.694 58.364 58.200 -0.883 0.000 0.934 73 S CB 0.643 62.838 63.200 -1.674 0.000 0.778 73 S HN 0.648 nan 8.310 nan 0.000 0.517 74 G N 1.240 109.736 108.800 -0.506 0.000 2.369 74 G HA2 0.153 4.113 3.960 -0.000 0.000 0.293 74 G HA3 0.153 4.113 3.960 -0.000 0.000 0.293 74 G C -1.457 173.577 174.900 0.224 0.000 1.301 74 G CA -0.627 44.412 45.100 -0.101 0.000 0.913 74 G HN 0.347 nan 8.290 nan 0.000 0.540 75 N N -0.813 118.076 118.700 0.314 0.000 2.604 75 N HA 0.468 5.208 4.740 -0.000 0.000 0.297 75 N C 1.025 176.753 175.510 0.365 0.000 1.266 75 N CA 0.025 53.247 53.050 0.287 0.000 0.961 75 N CB 1.023 39.620 38.487 0.184 0.000 1.166 75 N HN 0.747 nan 8.380 nan 0.000 0.601 76 E N -0.903 119.453 120.200 0.260 0.000 2.110 76 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 76 E C 0.364 177.116 176.600 0.253 0.000 0.988 76 E CA 1.290 57.842 56.400 0.253 0.000 0.804 76 E CB -0.081 29.746 29.700 0.211 0.000 0.745 76 E HN 0.511 nan 8.360 nan 0.000 0.458 77 D N 0.598 121.122 120.400 0.207 0.000 2.097 77 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 77 D C 1.783 178.187 176.300 0.172 0.000 0.989 77 D CA 1.253 55.352 54.000 0.164 0.000 0.827 77 D CB -0.136 40.744 40.800 0.132 0.000 0.966 77 D HN 0.377 nan 8.370 nan 0.000 0.456 78 E N -0.165 120.176 120.200 0.235 0.000 2.110 78 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 78 E C 1.968 178.710 176.600 0.237 0.000 0.988 78 E CA 0.406 56.964 56.400 0.263 0.000 0.804 78 E CB -0.210 29.703 29.700 0.355 0.000 0.745 78 E HN 0.247 nan 8.360 nan 0.000 0.458 79 F N 1.878 121.867 119.950 0.065 0.000 2.113 79 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 79 F C 2.409 178.064 175.800 -0.242 0.000 1.103 79 F CA 1.340 59.117 58.000 -0.371 0.000 1.248 79 F CB 0.075 38.799 39.000 -0.460 0.000 0.999 79 F HN -0.222 nan 8.300 nan 0.000 0.475 80 R N 0.607 121.101 120.500 -0.008 0.000 2.081 80 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 80 R C 2.289 178.512 176.300 -0.128 0.000 1.131 80 R CA 1.518 57.574 56.100 -0.072 0.000 0.960 80 R CB -0.927 29.411 30.300 0.063 0.000 0.856 80 R HN 0.439 nan 8.270 nan 0.000 0.436 81 N N 0.708 119.373 118.700 -0.058 0.000 2.120 81 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 81 N C 1.922 177.365 175.510 -0.111 0.000 1.024 81 N CA 1.477 54.504 53.050 -0.039 0.000 0.852 81 N CB -0.084 38.416 38.487 0.023 0.000 1.003 81 N HN 0.279 nan 8.380 nan 0.000 0.424 82 M N 0.794 120.281 119.600 -0.189 0.000 2.099 82 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 82 M C 1.830 177.909 176.300 -0.368 0.000 1.067 82 M CA 1.331 56.487 55.300 -0.240 0.000 1.124 82 M CB -0.042 32.399 32.600 -0.265 0.000 1.353 82 M HN -0.046 nan 8.290 nan 0.000 0.410 83 V N 0.552 120.133 119.914 -0.554 0.000 2.343 83 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 83 V C 2.333 178.122 176.094 -0.508 0.000 1.051 83 V CA 2.285 64.234 62.300 -0.584 0.000 1.036 83 V CB -1.330 30.095 31.823 -0.664 0.000 0.654 83 V HN 0.574 nan 8.190 nan 0.000 0.451 84 T N -0.252 114.110 114.554 -0.319 0.000 2.674 84 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 84 T C 2.114 176.739 174.700 -0.125 0.000 1.039 84 T CA 1.685 63.700 62.100 -0.141 0.000 1.150 84 T CB -0.237 68.687 68.868 0.094 0.000 0.864 84 T HN 0.394 nan 8.240 nan 0.000 0.427 85 R N -0.001 120.434 120.500 -0.107 0.000 2.081 85 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 85 R C 2.794 179.022 176.300 -0.120 0.000 1.131 85 R CA 1.357 57.414 56.100 -0.071 0.000 0.960 85 R CB -0.698 29.574 30.300 -0.047 0.000 0.856 85 R HN 0.380 nan 8.270 nan 0.000 0.436 86 c N 0.453 118.936 118.600 -0.196 0.000 2.446 86 c HA -0.009 4.561 4.570 -0.000 0.000 0.277 86 c C 2.318 176.245 174.090 -0.273 0.000 1.275 86 c CA 0.414 56.620 56.329 -0.205 0.000 1.727 86 c CB -0.961 41.407 42.510 -0.236 0.000 2.010 86 c HN 0.507 nan 8.230 nan 0.000 0.486 87 N N 1.599 120.018 118.700 -0.467 0.000 2.166 87 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 87 N C 1.295 176.571 175.510 -0.390 0.000 1.019 87 N CA 1.109 53.738 53.050 -0.702 0.000 0.856 87 N CB -0.618 36.877 38.487 -1.653 0.000 0.993 87 N HN 0.482 nan 8.380 nan 0.000 0.426 88 N N 0.005 118.617 118.700 -0.146 0.000 2.520 88 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 88 N C 1.026 176.536 175.510 0.001 0.000 1.068 88 N CA 0.222 53.314 53.050 0.069 0.000 0.911 88 N CB 0.184 38.741 38.487 0.116 0.000 0.961 88 N HN 0.051 nan 8.380 nan 0.000 0.446 89 V N -0.895 118.985 119.914 -0.057 0.000 3.427 89 V HA 0.290 4.410 4.120 -0.000 0.000 0.305 89 V C 1.028 177.094 176.094 -0.047 0.000 1.412 89 V CA 0.623 62.901 62.300 -0.036 0.000 1.086 89 V CB -0.205 31.601 31.823 -0.028 0.000 0.964 89 V HN 0.379 nan 8.190 nan 0.000 0.439 90 G N 0.542 109.291 108.800 -0.084 0.000 2.143 90 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.249 90 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.249 90 G C 0.123 174.983 174.900 -0.067 0.000 0.981 90 G CA 0.263 45.315 45.100 -0.079 0.000 0.665 90 G HN 0.622 nan 8.290 nan 0.000 0.528 91 V N 2.599 122.458 119.914 -0.091 0.000 2.347 91 V HA 0.566 4.686 4.120 -0.000 0.000 0.280 91 V C 0.660 176.677 176.094 -0.130 0.000 1.021 91 V CA -1.257 61.009 62.300 -0.056 0.000 0.847 91 V CB 1.313 33.116 31.823 -0.034 0.000 0.990 91 V HN 0.324 nan 8.190 nan 0.000 0.444 92 R N 4.205 124.656 120.500 -0.082 0.000 2.577 92 R HA 0.546 4.886 4.340 -0.000 0.000 0.269 92 R C -0.597 175.516 176.300 -0.313 0.000 1.084 92 R CA -0.641 55.329 56.100 -0.218 0.000 1.163 92 R CB 0.981 31.164 30.300 -0.196 0.000 1.100 92 R HN 0.428 nan 8.270 nan 0.000 0.547 93 I N 2.369 122.616 120.570 -0.538 0.000 2.436 93 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 93 I C -0.747 174.951 176.117 -0.698 0.000 1.010 93 I CA -0.899 60.120 61.300 -0.468 0.000 1.098 93 I CB 1.193 38.938 38.000 -0.426 0.000 1.266 93 I HN 0.426 nan 8.210 nan 0.000 0.434 94 Y N 4.694 124.949 120.300 -0.076 0.000 2.364 94 Y HA 0.517 5.067 4.550 -0.000 0.000 0.340 94 Y C 0.202 176.052 175.900 -0.084 0.000 0.975 94 Y CA -0.950 57.096 58.100 -0.089 0.000 1.089 94 Y CB 1.994 40.530 38.460 0.128 0.000 1.192 94 Y HN 0.183 nan 8.280 nan 0.000 0.454 95 V N 2.782 122.652 119.914 -0.074 0.000 2.472 95 V HA 0.141 4.261 4.120 -0.000 0.000 0.290 95 V C -0.291 175.874 176.094 0.117 0.000 1.037 95 V CA -0.838 61.497 62.300 0.059 0.000 0.908 95 V CB 1.574 33.447 31.823 0.084 0.000 0.985 95 V HN 0.660 nan 8.190 nan 0.000 0.454 96 D N 4.056 124.523 120.400 0.111 0.000 2.359 96 D HA 0.334 4.974 4.640 -0.000 0.000 0.250 96 D C 0.153 176.486 176.300 0.054 0.000 1.264 96 D CA 0.023 54.050 54.000 0.045 0.000 0.911 96 D CB 1.079 41.913 40.800 0.058 0.000 1.056 96 D HN 0.700 nan 8.370 nan 0.000 0.499 97 A N 4.038 126.881 122.820 0.039 0.000 2.279 97 A HA 0.363 4.682 4.320 -0.000 0.000 0.306 97 A C -0.024 177.529 177.584 -0.052 0.000 1.300 97 A CA -0.636 51.422 52.037 0.035 0.000 0.925 97 A CB 0.529 19.484 19.000 -0.076 0.000 1.152 97 A HN 0.366 nan 8.150 nan 0.000 0.544 98 V N 5.514 125.388 119.914 -0.067 0.000 2.284 98 V HA 0.155 4.275 4.120 -0.000 0.000 0.260 98 V C 0.847 176.838 176.094 -0.171 0.000 1.084 98 V CA 0.353 62.538 62.300 -0.191 0.000 0.894 98 V CB -0.480 31.183 31.823 -0.268 0.000 1.119 98 V HN 0.871 nan 8.190 nan 0.000 0.484 99 I N 0.600 121.070 120.570 -0.166 0.000 4.154 99 I HA 0.342 4.512 4.170 -0.000 0.000 0.334 99 I C 1.544 177.580 176.117 -0.135 0.000 1.371 99 I CA 0.212 61.443 61.300 -0.115 0.000 1.110 99 I CB 0.139 38.080 38.000 -0.099 0.000 1.085 99 I HN 0.459 nan 8.210 nan 0.000 0.398 100 N N 1.599 120.183 118.700 -0.193 0.000 2.354 100 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 100 N C 0.566 176.057 175.510 -0.032 0.000 1.021 100 N CA 1.087 54.100 53.050 -0.063 0.000 0.887 100 N CB 0.158 38.697 38.487 0.087 0.000 0.974 100 N HN 0.702 nan 8.380 nan 0.000 0.437 101 H N -3.896 115.168 119.070 -0.010 0.000 2.933 101 H HA 0.296 4.852 4.556 0.000 0.000 0.310 101 H C -0.524 174.777 175.328 -0.045 0.000 1.351 101 H CA -0.910 55.129 56.048 -0.015 0.000 1.137 101 H CB 0.480 30.238 29.762 -0.008 0.000 1.853 101 H HN -0.184 nan 8.280 nan 0.000 0.539 102 M N 0.771 120.458 119.600 0.145 0.000 2.348 102 M HA 0.315 4.795 4.480 -0.000 0.000 0.226 102 M C 0.989 177.358 176.300 0.114 0.000 0.780 102 M CA -0.394 54.883 55.300 -0.038 0.000 1.699 102 M CB 0.135 32.478 32.600 -0.428 0.000 1.192 102 M HN 0.878 nan 8.290 nan 0.000 0.859 103 C N -0.085 119.260 119.300 0.074 0.000 2.480 103 C HA 0.801 5.261 4.460 -0.000 0.000 0.344 103 C C 0.982 176.025 174.990 0.088 0.000 1.380 103 C CA -0.924 58.162 59.018 0.113 0.000 2.386 103 C CB -0.523 27.290 27.740 0.121 0.000 2.210 103 C HN 0.832 nan 8.230 nan 0.000 0.640 104 G N 1.446 110.283 108.800 0.061 0.000 2.432 104 G HA2 0.185 4.145 3.960 -0.000 0.000 0.239 104 G HA3 0.185 4.145 3.960 -0.000 0.000 0.239 104 G C 0.911 175.827 174.900 0.027 0.000 1.291 104 G CA 0.199 45.306 45.100 0.010 0.000 0.863 104 G HN 1.041 nan 8.290 nan 0.000 0.560 105 N N 1.304 119.991 118.700 -0.022 0.000 2.453 105 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 105 N C 1.628 177.119 175.510 -0.032 0.000 1.041 105 N CA 1.028 54.055 53.050 -0.039 0.000 0.900 105 N CB 0.058 38.502 38.487 -0.072 0.000 0.961 105 N HN 0.419 nan 8.380 nan 0.000 0.443 106 A N 0.709 123.516 122.820 -0.022 0.000 2.275 106 A HA 0.297 4.617 4.320 -0.000 0.000 0.212 106 A C 0.731 178.313 177.584 -0.004 0.000 1.201 106 A CA -0.363 51.660 52.037 -0.023 0.000 0.843 106 A CB 0.095 19.078 19.000 -0.027 0.000 0.873 106 A HN 0.098 nan 8.150 nan 0.000 0.492 107 V N 1.222 121.154 119.914 0.031 0.000 2.740 107 V HA 0.078 4.198 4.120 -0.000 0.000 0.303 107 V C 0.877 176.972 176.094 0.002 0.000 1.054 107 V CA 0.037 62.380 62.300 0.070 0.000 1.106 107 V CB 1.295 33.232 31.823 0.190 0.000 0.957 107 V HN 0.397 nan 8.190 nan 0.000 0.486 108 S N 3.439 119.122 115.700 -0.028 0.000 2.549 108 S HA 0.453 4.922 4.470 -0.000 0.000 0.279 108 S C 0.444 174.849 174.600 -0.326 0.000 1.321 108 S CA -0.210 57.915 58.200 -0.125 0.000 1.054 108 S CB 0.853 64.003 63.200 -0.083 0.000 0.899 108 S HN 1.030 nan 8.310 nan 0.000 0.497 109 A N 2.794 125.383 122.820 -0.385 0.000 2.386 109 A HA 0.734 5.054 4.320 -0.000 0.000 0.248 109 A C 0.994 178.225 177.584 -0.587 0.000 1.082 109 A CA 0.426 52.072 52.037 -0.653 0.000 0.789 109 A CB -0.247 18.498 19.000 -0.425 0.000 1.025 109 A HN 1.312 nan 8.150 nan 0.000 0.490 110 G N -0.764 107.549 108.800 -0.811 0.000 2.288 110 G HA2 0.360 4.320 3.960 -0.000 0.000 0.227 110 G HA3 0.360 4.320 3.960 -0.000 0.000 0.227 110 G C 0.066 174.796 174.900 -0.283 0.000 1.339 110 G CA 0.586 45.496 45.100 -0.318 0.000 1.057 110 G HN 1.718 nan 8.290 nan 0.000 0.470 111 T N -2.225 112.322 114.554 -0.012 0.000 3.296 111 T HA 0.516 4.865 4.350 -0.000 0.000 0.285 111 T C 0.854 175.681 174.700 0.210 0.000 1.014 111 T CA 0.999 63.189 62.100 0.149 0.000 0.920 111 T CB 0.760 69.722 68.868 0.157 0.000 1.143 111 T HN 1.081 nan 8.240 nan 0.000 0.522 112 S N 2.957 118.800 115.700 0.237 0.000 4.085 112 S HA 0.382 4.851 4.470 -0.000 0.000 0.189 112 S C 0.382 175.190 174.600 0.346 0.000 1.392 112 S CA -0.541 57.831 58.200 0.286 0.000 0.972 112 S CB -1.037 62.315 63.200 0.253 0.000 1.482 112 S HN 0.747 nan 8.310 nan 0.000 0.446 113 S N 0.542 116.392 115.700 0.250 0.000 2.671 113 S HA 0.411 4.880 4.470 -0.000 0.000 0.299 113 S C 1.150 175.782 174.600 0.054 0.000 1.116 113 S CA -0.432 57.823 58.200 0.092 0.000 0.912 113 S CB 1.079 64.308 63.200 0.048 0.000 1.130 113 S HN 0.443 nan 8.310 nan 0.000 0.501 114 T N -3.351 111.201 114.554 -0.003 0.000 3.113 114 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 114 T C 0.949 175.665 174.700 0.027 0.000 1.143 114 T CA 0.699 62.799 62.100 -0.000 0.000 1.090 114 T CB -0.601 68.252 68.868 -0.026 0.000 0.922 114 T HN 0.643 nan 8.240 nan 0.000 0.521 115 c N 0.847 119.470 118.600 0.039 0.000 3.365 115 c HA 0.675 5.245 4.570 -0.000 0.000 0.266 115 c C 1.928 176.060 174.090 0.070 0.000 1.631 115 c CA -0.149 56.211 56.329 0.052 0.000 1.789 115 c CB -0.978 41.559 42.510 0.045 0.000 3.088 115 c HN 0.865 nan 8.230 nan 0.000 0.547 116 G N 1.764 110.618 108.800 0.089 0.000 2.162 116 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 116 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 116 G C 0.225 175.211 174.900 0.143 0.000 0.976 116 G CA 0.647 45.814 45.100 0.113 0.000 0.655 116 G HN 0.635 nan 8.290 nan 0.000 0.533 117 S N -0.154 115.630 115.700 0.140 0.000 2.549 117 S HA 0.402 4.872 4.470 -0.000 0.000 0.283 117 S C 0.065 174.840 174.600 0.291 0.000 1.320 117 S CA -0.326 57.977 58.200 0.172 0.000 1.058 117 S CB 0.691 63.957 63.200 0.109 0.000 0.882 117 S HN 0.555 nan 8.310 nan 0.000 0.498 118 Y N 4.534 124.926 120.300 0.153 0.000 2.304 118 Y HA 0.528 5.077 4.550 -0.000 0.000 0.327 118 Y C -0.452 175.573 175.900 0.208 0.000 1.209 118 Y CA -0.754 57.424 58.100 0.129 0.000 1.299 118 Y CB 0.357 38.828 38.460 0.019 0.000 1.249 118 Y HN 0.576 nan 8.280 nan 0.000 0.519 119 F N 3.227 122.543 119.950 -1.057 0.000 2.665 119 F HA 0.422 4.948 4.527 -0.001 0.000 0.308 119 F C -1.945 173.186 175.800 -1.116 0.000 1.112 119 F CA -1.450 55.977 58.000 -0.954 0.000 0.972 119 F CB 1.198 39.857 39.000 -0.568 0.000 1.295 119 F HN 0.421 nan 8.300 nan 0.000 0.440 120 N N 3.344 121.509 118.700 -0.891 0.000 2.664 120 N HA 0.411 5.151 4.740 -0.000 0.000 0.257 120 N C -2.468 172.754 175.510 -0.480 0.000 1.108 120 N CA -2.241 50.430 53.050 -0.632 0.000 0.822 120 N CB 1.924 40.199 38.487 -0.354 0.000 1.199 120 N HN 0.298 nan 8.380 nan 0.000 0.529 121 P HA -0.046 nan 4.420 nan 0.000 0.215 121 P C 1.336 178.546 177.300 -0.150 0.000 1.153 121 P CA 1.143 64.156 63.100 -0.146 0.000 0.853 121 P CB 0.218 31.926 31.700 0.013 0.000 0.788 122 G N -0.049 108.662 108.800 -0.149 0.000 2.469 122 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.219 122 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.219 122 G C 1.427 176.255 174.900 -0.121 0.000 1.150 122 G CA 1.425 46.453 45.100 -0.121 0.000 0.763 122 G HN 0.445 nan 8.290 nan 0.000 0.561 123 S N -0.579 115.044 115.700 -0.127 0.000 2.577 123 S HA 0.242 4.712 4.470 -0.000 0.000 0.219 123 S C 0.971 175.518 174.600 -0.089 0.000 0.962 123 S CA 0.014 58.155 58.200 -0.098 0.000 0.921 123 S CB 0.305 63.467 63.200 -0.064 0.000 0.789 123 S HN 0.324 nan 8.310 nan 0.000 0.497 124 R N 0.344 120.769 120.500 -0.124 0.000 3.525 124 R HA -0.153 4.186 4.340 -0.000 0.000 0.276 124 R C -1.237 175.171 176.300 0.180 0.000 1.116 124 R CA 0.869 56.937 56.100 -0.053 0.000 0.745 124 R CB -2.944 27.296 30.300 -0.100 0.000 1.185 124 R HN 0.619 nan 8.270 nan 0.000 0.454 125 D N -0.174 120.181 120.400 -0.074 0.000 2.349 125 D HA 0.457 5.096 4.640 -0.000 0.000 0.232 125 D C -0.645 175.495 176.300 -0.268 0.000 1.071 125 D CA -0.274 53.735 54.000 0.014 0.000 0.832 125 D CB 0.403 41.217 40.800 0.024 0.000 1.086 125 D HN 0.063 nan 8.370 nan 0.000 0.504 126 F N 4.959 125.060 119.950 0.253 0.000 2.584 126 F HA 0.281 4.808 4.527 -0.001 0.000 0.328 126 F C -1.483 174.415 175.800 0.164 0.000 1.407 126 F CA -1.571 56.558 58.000 0.216 0.000 1.145 126 F CB 1.558 40.722 39.000 0.274 0.000 1.440 126 F HN 0.298 nan 8.300 nan 0.000 0.580 127 P HA -0.243 nan 4.420 nan 0.000 0.220 127 P C 1.409 178.793 177.300 0.140 0.000 1.144 127 P CA 1.441 64.658 63.100 0.196 0.000 0.800 127 P CB 0.287 32.105 31.700 0.197 0.000 0.772 128 A N -0.747 122.151 122.820 0.130 0.000 2.168 128 A HA 0.018 4.337 4.320 -0.000 0.000 0.215 128 A C 2.246 179.823 177.584 -0.012 0.000 1.152 128 A CA 0.893 52.967 52.037 0.061 0.000 0.716 128 A CB -1.088 17.945 19.000 0.054 0.000 0.794 128 A HN 0.087 nan 8.150 nan 0.000 0.465 129 V N 0.493 120.376 119.914 -0.051 0.000 2.283 129 V HA 0.028 4.148 4.120 -0.000 0.000 0.239 129 V C -1.481 174.547 176.094 -0.110 0.000 1.035 129 V CA 1.220 63.393 62.300 -0.212 0.000 1.018 129 V CB -1.102 30.359 31.823 -0.604 0.000 0.658 129 V HN 0.464 nan 8.190 nan 0.000 0.459 130 P HA 0.438 nan 4.420 nan 0.000 0.290 130 P C -1.841 175.542 177.300 0.138 0.000 1.283 130 P CA -0.326 62.818 63.100 0.072 0.000 0.869 130 P CB 1.376 33.167 31.700 0.153 0.000 1.100 131 Y N -0.480 120.019 120.300 0.332 0.000 2.512 131 Y HA 0.553 5.103 4.550 -0.000 0.000 0.348 131 Y C 0.853 177.011 175.900 0.431 0.000 0.990 131 Y CA -0.540 57.773 58.100 0.355 0.000 1.033 131 Y CB 2.300 40.921 38.460 0.268 0.000 1.259 131 Y HN 0.534 nan 8.280 nan 0.000 0.461 132 S N -0.801 115.248 115.700 0.582 0.000 2.851 132 S HA 0.590 5.060 4.470 -0.000 0.000 0.313 132 S C 1.025 175.875 174.600 0.416 0.000 1.163 132 S CA -0.246 58.228 58.200 0.457 0.000 0.850 132 S CB 1.146 64.577 63.200 0.386 0.000 1.245 132 S HN 0.821 nan 8.310 nan 0.000 0.558 133 G N -0.362 108.497 108.800 0.098 0.000 2.479 133 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.220 133 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.220 133 G C 0.662 175.490 174.900 -0.120 0.000 1.115 133 G CA 0.458 45.514 45.100 -0.074 0.000 0.757 133 G HN 0.761 nan 8.290 nan 0.000 0.560 134 W N 0.623 122.031 121.300 0.180 0.000 2.800 134 W HA 0.220 4.881 4.660 0.000 0.000 0.249 134 W C 1.108 177.666 176.519 0.066 0.000 1.294 134 W CA 0.099 57.506 57.345 0.103 0.000 1.402 134 W CB 0.383 29.875 29.460 0.053 0.000 1.126 134 W HN 0.070 nan 8.180 nan 0.000 0.652 135 D N -0.797 119.713 120.400 0.185 0.000 2.340 135 D HA 0.097 4.737 4.640 -0.000 0.000 0.217 135 D C -0.352 175.618 176.300 -0.551 0.000 1.081 135 D CA 0.399 54.313 54.000 -0.144 0.000 0.842 135 D CB -0.127 40.547 40.800 -0.210 0.000 0.934 135 D HN 0.033 nan 8.370 nan 0.000 0.511 136 F N 0.825 120.767 119.950 -0.013 0.000 2.556 136 F HA 0.253 4.780 4.527 -0.000 0.000 0.327 136 F C 0.689 176.487 175.800 -0.004 0.000 1.059 136 F CA -1.350 56.624 58.000 -0.043 0.000 0.953 136 F CB 0.933 39.903 39.000 -0.050 0.000 1.227 136 F HN -0.281 nan 8.300 nan 0.000 0.478 137 N N -0.291 118.518 118.700 0.182 0.000 2.920 137 N HA 0.108 4.848 4.740 -0.000 0.000 0.310 137 N C -0.060 175.510 175.510 0.101 0.000 1.384 137 N CA -0.164 52.959 53.050 0.122 0.000 1.083 137 N CB -0.323 38.229 38.487 0.108 0.000 1.389 137 N HN 0.410 nan 8.380 nan 0.000 0.521 138 D N 0.287 120.743 120.400 0.094 0.000 2.178 138 D HA -0.086 4.553 4.640 -0.000 0.000 0.202 138 D C 1.612 177.930 176.300 0.030 0.000 0.974 138 D CA 1.213 55.238 54.000 0.041 0.000 0.841 138 D CB -0.048 40.755 40.800 0.005 0.000 0.953 138 D HN 0.636 nan 8.370 nan 0.000 0.478 139 G N 0.605 109.429 108.800 0.040 0.000 2.880 139 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.209 139 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.209 139 G C 1.574 176.502 174.900 0.047 0.000 1.157 139 G CA 0.187 45.309 45.100 0.037 0.000 0.779 139 G HN 0.206 nan 8.290 nan 0.000 0.539 140 K N -0.310 120.125 120.400 0.059 0.000 2.202 140 K HA 0.086 4.406 4.320 -0.000 0.000 0.201 140 K C 1.153 177.791 176.600 0.063 0.000 1.051 140 K CA -0.047 56.279 56.287 0.066 0.000 0.977 140 K CB -0.242 32.309 32.500 0.085 0.000 0.792 140 K HN 0.134 nan 8.250 nan 0.000 0.469 141 c N 2.522 121.155 118.600 0.056 0.000 2.642 141 c HA 0.145 4.715 4.570 -0.000 0.000 0.420 141 c C 0.506 174.613 174.090 0.029 0.000 1.349 141 c CA -0.136 56.218 56.329 0.042 0.000 1.821 141 c CB -0.115 42.410 42.510 0.026 0.000 2.637 141 c HN 0.567 nan 8.230 nan 0.000 0.605 142 K N 2.637 123.052 120.400 0.025 0.000 2.374 142 K HA 0.149 4.469 4.320 -0.000 0.000 0.202 142 K C 0.778 177.382 176.600 0.007 0.000 1.040 142 K CA 0.111 56.409 56.287 0.018 0.000 1.085 142 K CB 0.250 32.765 32.500 0.025 0.000 0.873 142 K HN 0.860 nan 8.250 nan 0.000 0.539 143 T N -2.565 111.988 114.554 -0.001 0.000 2.882 143 T HA 0.254 4.604 4.350 -0.000 0.000 0.287 143 T C 1.498 176.192 174.700 -0.009 0.000 1.014 143 T CA -0.371 61.723 62.100 -0.009 0.000 1.049 143 T CB 1.677 70.532 68.868 -0.021 0.000 1.001 143 T HN 0.149 nan 8.240 nan 0.000 0.525 144 G N 0.544 109.339 108.800 -0.009 0.000 2.432 144 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 144 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 144 G C 1.648 176.540 174.900 -0.014 0.000 1.135 144 G CA 0.788 45.882 45.100 -0.010 0.000 0.767 144 G HN 0.954 nan 8.290 nan 0.000 0.550 145 S N -1.259 114.431 115.700 -0.018 0.000 2.503 145 S HA 0.378 4.848 4.470 -0.000 0.000 0.217 145 S C 1.932 176.516 174.600 -0.028 0.000 0.999 145 S CA 0.998 59.185 58.200 -0.023 0.000 0.914 145 S CB 0.182 63.368 63.200 -0.025 0.000 0.782 145 S HN 1.487 nan 8.310 nan 0.000 0.520 146 G N 0.697 109.482 108.800 -0.025 0.000 2.195 146 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 146 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 146 G C -0.312 174.566 174.900 -0.035 0.000 0.984 146 G CA 0.264 45.348 45.100 -0.026 0.000 0.633 146 G HN 0.561 nan 8.290 nan 0.000 0.525 147 D N -0.267 120.107 120.400 -0.043 0.000 2.440 147 D HA 0.604 5.244 4.640 -0.000 0.000 0.258 147 D C 0.934 177.193 176.300 -0.069 0.000 1.092 147 D CA -0.615 53.351 54.000 -0.058 0.000 1.016 147 D CB 0.795 41.562 40.800 -0.055 0.000 1.141 147 D HN 0.212 nan 8.370 nan 0.000 0.552 148 I N 1.308 121.820 120.570 -0.097 0.000 2.452 148 I HA 0.034 4.204 4.170 -0.000 0.000 0.287 148 I C 1.244 177.298 176.117 -0.105 0.000 1.079 148 I CA 0.454 61.661 61.300 -0.155 0.000 1.387 148 I CB 0.518 38.352 38.000 -0.278 0.000 1.404 148 I HN 0.298 nan 8.210 nan 0.000 0.522 149 E N 3.920 124.067 120.200 -0.089 0.000 2.399 149 E HA 0.121 4.471 4.350 -0.000 0.000 0.205 149 E C 0.114 176.717 176.600 0.005 0.000 0.906 149 E CA 0.097 56.483 56.400 -0.023 0.000 0.998 149 E CB 0.546 30.235 29.700 -0.017 0.000 1.002 149 E HN 0.590 nan 8.360 nan 0.000 0.501 150 N N -0.437 118.235 118.700 -0.046 0.000 2.480 150 N HA 0.167 4.907 4.740 -0.000 0.000 0.289 150 N C -0.821 174.660 175.510 -0.047 0.000 1.073 150 N CA -0.241 52.816 53.050 0.012 0.000 0.885 150 N CB 0.814 39.307 38.487 0.009 0.000 1.421 150 N HN -0.075 nan 8.380 nan 0.000 0.503 151 Y N 1.533 121.833 120.300 -0.000 0.000 2.529 151 Y HA 0.108 4.657 4.550 -0.001 0.000 0.290 151 Y C 1.237 177.129 175.900 -0.014 0.000 1.177 151 Y CA 0.526 58.621 58.100 -0.008 0.000 1.305 151 Y CB 0.057 38.510 38.460 -0.011 0.000 1.047 151 Y HN 0.643 nan 8.280 nan 0.000 0.522 152 N N -0.423 118.336 118.700 0.099 0.000 2.412 152 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 152 N C -0.240 175.286 175.510 0.027 0.000 1.101 152 N CA 0.140 53.225 53.050 0.059 0.000 0.881 152 N CB 0.262 38.779 38.487 0.050 0.000 0.969 152 N HN 0.088 nan 8.380 nan 0.000 0.459 153 D N 0.171 120.572 120.400 0.001 0.000 2.472 153 D HA 0.284 4.924 4.640 -0.000 0.000 0.234 153 D C 0.671 176.946 176.300 -0.041 0.000 1.088 153 D CA -0.548 53.446 54.000 -0.010 0.000 0.882 153 D CB 0.857 41.648 40.800 -0.014 0.000 1.037 153 D HN 0.084 nan 8.370 nan 0.000 0.520 154 A N 2.872 125.676 122.820 -0.027 0.000 2.032 154 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 154 A C 1.982 179.477 177.584 -0.148 0.000 1.165 154 A CA 1.832 53.814 52.037 -0.092 0.000 0.645 154 A CB -0.460 18.511 19.000 -0.049 0.000 0.807 154 A HN 0.578 nan 8.150 nan 0.000 0.453 155 T N 0.374 114.936 114.554 0.013 0.000 2.701 155 T HA -0.175 4.175 4.350 -0.000 0.000 0.263 155 T C 2.116 176.836 174.700 0.034 0.000 1.040 155 T CA 1.660 63.843 62.100 0.137 0.000 1.147 155 T CB -0.348 68.644 68.868 0.208 0.000 0.865 155 T HN 0.884 nan 8.240 nan 0.000 0.426 156 Q N 0.983 120.774 119.800 -0.014 0.000 2.291 156 Q HA -0.010 4.330 4.340 -0.000 0.000 0.205 156 Q C 2.038 177.966 176.000 -0.120 0.000 0.970 156 Q CA 0.994 56.769 55.803 -0.047 0.000 0.876 156 Q CB -0.591 28.112 28.738 -0.059 0.000 0.935 156 Q HN 0.305 nan 8.270 nan 0.000 0.455 157 V N 0.690 120.490 119.914 -0.189 0.000 2.759 157 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 157 V C 1.947 177.967 176.094 -0.123 0.000 1.080 157 V CA 1.876 64.039 62.300 -0.228 0.000 1.101 157 V CB -0.369 31.288 31.823 -0.277 0.000 0.698 157 V HN 0.286 nan 8.190 nan 0.000 0.477 158 R N -0.537 119.824 120.500 -0.231 0.000 2.195 158 R HA 0.091 4.431 4.340 -0.000 0.000 0.197 158 R C 1.520 177.793 176.300 -0.046 0.000 0.990 158 R CA 0.664 56.584 56.100 -0.300 0.000 1.048 158 R CB -0.009 29.677 30.300 -1.023 0.000 0.997 158 R HN 0.410 nan 8.270 nan 0.000 0.502 159 D N -1.195 119.235 120.400 0.050 0.000 2.389 159 D HA 0.112 4.752 4.640 -0.000 0.000 0.206 159 D C -0.012 176.327 176.300 0.065 0.000 1.055 159 D CA 0.258 54.333 54.000 0.125 0.000 0.856 159 D CB 0.340 41.251 40.800 0.185 0.000 0.957 159 D HN 0.084 nan 8.370 nan 0.000 0.509 160 c N 0.855 119.464 118.600 0.015 0.000 2.345 160 c HA 0.470 5.040 4.570 -0.000 0.000 0.370 160 c C 0.745 174.816 174.090 -0.033 0.000 1.209 160 c CA -0.986 55.337 56.329 -0.011 0.000 2.133 160 c CB 1.347 43.833 42.510 -0.040 0.000 2.293 160 c HN 0.067 nan 8.230 nan 0.000 0.544 161 R N 1.135 121.607 120.500 -0.047 0.000 2.347 161 R HA 0.278 4.618 4.340 -0.000 0.000 0.304 161 R C -0.572 175.649 176.300 -0.132 0.000 1.072 161 R CA -0.437 55.616 56.100 -0.077 0.000 0.980 161 R CB 0.222 30.480 30.300 -0.071 0.000 0.986 161 R HN 0.486 nan 8.270 nan 0.000 0.448 162 L N 4.859 125.957 121.223 -0.207 0.000 2.433 162 L HA 0.003 4.343 4.340 -0.000 0.000 0.284 162 L C 0.252 176.991 176.870 -0.217 0.000 1.120 162 L CA 0.711 55.387 54.840 -0.273 0.000 0.879 162 L CB 0.047 41.807 42.059 -0.498 0.000 1.232 162 L HN 0.931 nan 8.230 nan 0.000 0.454 163 T N 1.547 116.016 114.554 -0.142 0.000 3.795 163 T HA -0.170 4.180 4.350 -0.000 0.000 0.370 163 T C 1.132 175.746 174.700 -0.142 0.000 0.761 163 T CA 1.077 63.100 62.100 -0.129 0.000 1.923 163 T CB -2.429 66.352 68.868 -0.146 0.000 1.795 163 T HN 2.288 nan 8.240 nan 0.000 0.762 164 G N -0.992 107.735 108.800 -0.122 0.000 2.253 164 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.251 164 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.251 164 G C 0.066 174.899 174.900 -0.111 0.000 0.998 164 G CA -0.114 44.923 45.100 -0.105 0.000 0.621 164 G HN 1.005 nan 8.290 nan 0.000 0.524 165 L N 1.851 122.976 121.223 -0.163 0.000 2.534 165 L HA 0.318 4.657 4.340 -0.000 0.000 0.271 165 L C 1.399 178.225 176.870 -0.073 0.000 1.178 165 L CA -0.006 54.730 54.840 -0.172 0.000 0.907 165 L CB 0.117 41.907 42.059 -0.450 0.000 1.164 165 L HN 0.260 nan 8.230 nan 0.000 0.482 166 L N 3.707 124.913 121.223 -0.029 0.000 2.628 166 L HA -0.088 4.252 4.340 -0.000 0.000 0.274 166 L C 0.422 177.405 176.870 0.188 0.000 1.209 166 L CA 0.251 55.078 54.840 -0.021 0.000 0.930 166 L CB -0.119 41.788 42.059 -0.253 0.000 1.183 166 L HN 0.555 nan 8.230 nan 0.000 0.492 167 D N 3.843 124.372 120.400 0.215 0.000 2.313 167 D HA 0.338 4.978 4.640 -0.000 0.000 0.239 167 D C -0.278 176.158 176.300 0.226 0.000 1.142 167 D CA -0.275 53.847 54.000 0.202 0.000 0.847 167 D CB 0.851 41.720 40.800 0.115 0.000 1.082 167 D HN 0.252 nan 8.370 nan 0.000 0.480 168 L N 2.446 123.683 121.223 0.024 0.000 2.416 168 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 168 L C 0.663 177.446 176.870 -0.144 0.000 1.161 168 L CA -0.699 53.967 54.840 -0.289 0.000 0.845 168 L CB 0.963 42.796 42.059 -0.375 0.000 1.119 168 L HN 0.488 nan 8.230 nan 0.000 0.464 169 A N 5.312 128.018 122.820 -0.191 0.000 2.990 169 A HA 0.264 4.584 4.320 -0.000 0.000 0.282 169 A C 1.079 178.645 177.584 -0.030 0.000 1.688 169 A CA -0.323 51.686 52.037 -0.047 0.000 1.391 169 A CB -0.557 18.433 19.000 -0.018 0.000 1.112 169 A HN 0.838 nan 8.150 nan 0.000 0.588 170 L N 0.849 122.077 121.223 0.007 0.000 2.642 170 L HA -0.111 4.229 4.340 -0.000 0.000 0.236 170 L C 2.475 179.366 176.870 0.036 0.000 1.169 170 L CA 1.046 55.898 54.840 0.020 0.000 0.851 170 L CB -0.213 41.881 42.059 0.058 0.000 0.968 170 L HN 0.857 nan 8.230 nan 0.000 0.453 171 E N 0.888 121.110 120.200 0.037 0.000 2.385 171 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 171 E C 0.369 176.979 176.600 0.016 0.000 1.013 171 E CA 0.086 56.494 56.400 0.014 0.000 0.866 171 E CB 0.193 29.886 29.700 -0.013 0.000 0.832 171 E HN 0.347 nan 8.360 nan 0.000 0.500 172 K N 1.644 122.063 120.400 0.032 0.000 2.322 172 K HA 0.015 4.335 4.320 -0.000 0.000 0.283 172 K C 0.212 176.849 176.600 0.062 0.000 1.042 172 K CA 0.121 56.444 56.287 0.059 0.000 0.958 172 K CB 1.087 33.645 32.500 0.096 0.000 0.984 172 K HN -0.072 nan 8.250 nan 0.000 0.473 173 D N 2.064 122.503 120.400 0.066 0.000 2.149 173 D HA -0.238 4.402 4.640 -0.000 0.000 0.198 173 D C 1.493 177.838 176.300 0.076 0.000 0.990 173 D CA 1.415 55.447 54.000 0.054 0.000 0.839 173 D CB 0.033 40.863 40.800 0.050 0.000 0.948 173 D HN 0.617 nan 8.370 nan 0.000 0.460 174 Y N 0.435 120.751 120.300 0.026 0.000 2.128 174 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 174 Y C 2.099 178.045 175.900 0.077 0.000 1.154 174 Y CA 1.549 59.678 58.100 0.047 0.000 1.149 174 Y CB -0.527 37.971 38.460 0.063 0.000 0.976 174 Y HN -0.073 nan 8.280 nan 0.000 0.505 175 V N 0.753 120.688 119.914 0.035 0.000 2.427 175 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 175 V C 2.393 178.445 176.094 -0.070 0.000 1.051 175 V CA 2.222 64.519 62.300 -0.005 0.000 1.048 175 V CB -0.634 31.188 31.823 -0.003 0.000 0.666 175 V HN 0.333 nan 8.190 nan 0.000 0.456 176 R N -0.003 120.462 120.500 -0.059 0.000 2.096 176 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 176 R C 2.566 178.796 176.300 -0.115 0.000 1.127 176 R CA 1.690 57.747 56.100 -0.072 0.000 0.968 176 R CB -0.417 29.857 30.300 -0.042 0.000 0.861 176 R HN 0.455 nan 8.270 nan 0.000 0.440 177 S N 0.502 116.121 115.700 -0.134 0.000 2.387 177 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 177 S C 1.637 176.110 174.600 -0.210 0.000 1.026 177 S CA 0.895 59.005 58.200 -0.150 0.000 0.972 177 S CB 0.052 63.181 63.200 -0.119 0.000 0.814 177 S HN 0.146 nan 8.310 nan 0.000 0.477 178 K N 1.507 121.726 120.400 -0.302 0.000 2.097 178 K HA 0.130 4.449 4.320 -0.000 0.000 0.205 178 K C 1.837 178.270 176.600 -0.278 0.000 1.050 178 K CA 0.901 57.007 56.287 -0.301 0.000 0.938 178 K CB -0.623 31.646 32.500 -0.385 0.000 0.718 178 K HN 0.398 nan 8.250 nan 0.000 0.442 179 I N 0.606 121.027 120.570 -0.248 0.000 2.286 179 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 179 I C 2.263 178.210 176.117 -0.283 0.000 1.104 179 I CA 0.964 62.071 61.300 -0.321 0.000 1.397 179 I CB -0.266 37.611 38.000 -0.204 0.000 1.072 179 I HN 0.015 nan 8.210 nan 0.000 0.417 180 A N 0.132 122.811 122.820 -0.235 0.000 1.933 180 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 180 A C 2.295 179.737 177.584 -0.237 0.000 1.175 180 A CA 1.725 53.618 52.037 -0.240 0.000 0.628 180 A CB -0.603 18.288 19.000 -0.181 0.000 0.814 180 A HN 0.478 nan 8.150 nan 0.000 0.444 181 E N -1.438 118.648 120.200 -0.190 0.000 2.118 181 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 181 E C 1.796 178.333 176.600 -0.107 0.000 0.992 181 E CA 1.605 57.921 56.400 -0.140 0.000 0.804 181 E CB -0.295 29.336 29.700 -0.116 0.000 0.741 181 E HN 0.752 nan 8.360 nan 0.000 0.458 182 Y N 0.612 120.724 120.300 -0.315 0.000 2.184 182 Y HA -0.103 4.447 4.550 -0.000 0.000 0.290 182 Y C 2.014 177.796 175.900 -0.197 0.000 1.129 182 Y CA 1.700 59.618 58.100 -0.303 0.000 1.144 182 Y CB -0.283 37.768 38.460 -0.683 0.000 0.995 182 Y HN -0.009 nan 8.280 nan 0.000 0.513 183 M N 0.090 119.362 119.600 -0.548 0.000 2.175 183 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 183 M C 1.658 177.787 176.300 -0.286 0.000 1.063 183 M CA 1.346 56.265 55.300 -0.634 0.000 1.119 183 M CB -0.305 31.812 32.600 -0.806 0.000 1.377 183 M HN 0.215 nan 8.290 nan 0.000 0.415 184 N N -0.421 118.107 118.700 -0.287 0.000 2.270 184 N HA -0.163 4.577 4.740 -0.000 0.000 0.181 184 N C 1.560 177.006 175.510 -0.107 0.000 1.016 184 N CA 1.174 54.030 53.050 -0.324 0.000 0.870 184 N CB -0.488 37.611 38.487 -0.647 0.000 0.979 184 N HN 0.415 nan 8.380 nan 0.000 0.431 185 H N 0.913 119.895 119.070 -0.146 0.000 2.353 185 H HA 0.069 4.625 4.556 -0.000 0.000 0.300 185 H C 1.982 177.297 175.328 -0.021 0.000 1.090 185 H CA 1.397 57.415 56.048 -0.049 0.000 1.327 185 H CB -0.274 29.470 29.762 -0.029 0.000 1.383 185 H HN 0.100 nan 8.280 nan 0.000 0.508 186 L N -0.531 120.629 121.223 -0.104 0.000 2.109 186 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 186 L C 2.503 179.348 176.870 -0.042 0.000 1.086 186 L CA 0.995 55.781 54.840 -0.090 0.000 0.760 186 L CB -0.296 41.730 42.059 -0.055 0.000 0.910 186 L HN 0.310 nan 8.230 nan 0.000 0.437 187 I N 0.031 120.605 120.570 0.007 0.000 2.226 187 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 187 I C 1.897 178.035 176.117 0.035 0.000 1.100 187 I CA 1.250 62.548 61.300 -0.003 0.000 1.374 187 I CB -0.334 37.684 38.000 0.031 0.000 1.057 187 I HN 0.264 nan 8.210 nan 0.000 0.413 188 D N 0.691 121.129 120.400 0.063 0.000 2.264 188 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 188 D C 2.136 178.493 176.300 0.096 0.000 0.966 188 D CA 1.047 55.115 54.000 0.113 0.000 0.864 188 D CB -0.051 40.833 40.800 0.139 0.000 0.933 188 D HN 0.373 nan 8.370 nan 0.000 0.499 189 I N -0.553 120.028 120.570 0.018 0.000 2.617 189 I HA -0.023 4.147 4.170 -0.000 0.000 0.256 189 I C 1.712 177.881 176.117 0.086 0.000 1.167 189 I CA 1.066 62.380 61.300 0.024 0.000 1.469 189 I CB 0.235 38.209 38.000 -0.043 0.000 1.098 189 I HN 0.159 nan 8.210 nan 0.000 0.436 190 G N 0.445 109.279 108.800 0.056 0.000 2.370 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.174 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.174 190 G C 0.354 175.171 174.900 -0.139 0.000 1.002 190 G CA -0.054 45.058 45.100 0.020 0.000 0.730 190 G HN 0.187 nan 8.290 nan 0.000 0.497 191 V N -0.236 119.542 119.914 -0.226 0.000 2.872 191 V HA 0.692 4.811 4.120 -0.000 0.000 0.307 191 V C 1.277 177.088 176.094 -0.471 0.000 1.072 191 V CA 1.016 63.081 62.300 -0.392 0.000 1.148 191 V CB 1.416 32.959 31.823 -0.467 0.000 0.954 191 V HN 1.330 nan 8.190 nan 0.000 0.490 192 A N 3.046 125.515 122.820 -0.586 0.000 2.220 192 A HA 0.754 5.074 4.320 -0.000 0.000 0.211 192 A C 1.165 178.518 177.584 -0.385 0.000 1.176 192 A CA 0.661 52.352 52.037 -0.577 0.000 0.834 192 A CB -0.433 18.294 19.000 -0.455 0.000 0.868 192 A HN 2.019 nan 8.150 nan 0.000 0.488 193 G N -2.017 106.491 108.800 -0.486 0.000 2.430 193 G HA2 0.502 4.462 3.960 -0.000 0.000 0.300 193 G HA3 0.502 4.462 3.960 -0.000 0.000 0.300 193 G C -1.531 173.061 174.900 -0.515 0.000 1.330 193 G CA -0.678 44.325 45.100 -0.162 0.000 0.813 193 G HN 0.166 nan 8.290 nan 0.000 0.487 194 F N -0.858 119.068 119.950 -0.041 0.000 2.626 194 F HA 0.653 5.180 4.527 -0.000 0.000 0.311 194 F C -0.044 175.367 175.800 -0.648 0.000 1.088 194 F CA -0.772 57.090 58.000 -0.231 0.000 0.949 194 F CB 2.773 41.636 39.000 -0.229 0.000 1.322 194 F HN 0.504 nan 8.300 nan 0.000 0.461 195 Q N 2.544 122.042 119.800 -0.504 0.000 2.400 195 Q HA 0.525 4.864 4.340 -0.000 0.000 0.255 195 Q C -1.668 174.140 176.000 -0.320 0.000 1.008 195 Q CA -0.356 54.966 55.803 -0.802 0.000 0.841 195 Q CB 0.812 29.123 28.738 -0.712 0.000 1.220 195 Q HN 0.680 nan 8.270 nan 0.000 0.474 196 L N 4.134 125.198 121.223 -0.265 0.000 2.342 196 L HA 0.244 4.584 4.340 -0.000 0.000 0.285 196 L C 0.109 176.936 176.870 -0.072 0.000 1.095 196 L CA -0.527 54.229 54.840 -0.139 0.000 0.843 196 L CB 0.175 42.167 42.059 -0.112 0.000 1.201 196 L HN 0.720 nan 8.230 nan 0.000 0.445 197 D N 3.591 123.968 120.400 -0.038 0.000 2.414 197 D HA 0.288 4.928 4.640 -0.000 0.000 0.242 197 D C 0.880 177.236 176.300 0.094 0.000 1.129 197 D CA 0.533 54.564 54.000 0.053 0.000 0.885 197 D CB 0.951 41.769 40.800 0.029 0.000 1.198 197 D HN 0.732 nan 8.370 nan 0.000 0.437 198 A N 2.713 125.641 122.820 0.179 0.000 2.745 198 A HA -0.239 4.081 4.320 -0.000 0.000 0.296 198 A C 1.793 179.468 177.584 0.152 0.000 1.500 198 A CA 1.140 53.338 52.037 0.268 0.000 0.766 198 A CB -2.127 17.097 19.000 0.375 0.000 1.030 198 A HN 0.446 nan 8.150 nan 0.000 0.489 199 S N -0.553 115.148 115.700 0.002 0.000 2.419 199 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 199 S C 1.862 176.350 174.600 -0.187 0.000 1.016 199 S CA 1.467 59.606 58.200 -0.101 0.000 0.974 199 S CB -0.146 62.910 63.200 -0.240 0.000 0.786 199 S HN 0.882 nan 8.310 nan 0.000 0.492 200 K N 0.791 121.027 120.400 -0.274 0.000 2.280 200 K HA -0.143 4.177 4.320 -0.000 0.000 0.202 200 K C 0.897 177.295 176.600 -0.337 0.000 1.047 200 K CA 1.194 57.288 56.287 -0.322 0.000 0.942 200 K CB -0.155 32.109 32.500 -0.394 0.000 0.739 200 K HN 0.466 nan 8.250 nan 0.000 0.457 201 H N -0.268 118.790 119.070 -0.020 0.000 2.524 201 H HA 0.202 4.757 4.556 -0.000 0.000 0.280 201 H C 0.016 175.292 175.328 -0.086 0.000 1.018 201 H CA 0.294 56.309 56.048 -0.055 0.000 1.165 201 H CB 0.042 29.809 29.762 0.009 0.000 1.411 201 H HN 0.186 nan 8.280 nan 0.000 0.569 202 M N -0.342 119.265 119.600 0.011 0.000 2.530 202 M HA 0.195 4.675 4.480 -0.000 0.000 0.307 202 M C -1.040 175.271 176.300 0.018 0.000 1.161 202 M CA -0.843 54.476 55.300 0.032 0.000 0.903 202 M CB 2.410 35.083 32.600 0.121 0.000 1.711 202 M HN -0.003 nan 8.290 nan 0.000 0.451 203 W N 2.525 123.876 121.300 0.085 0.000 2.253 203 W HA 0.221 4.881 4.660 -0.000 0.000 0.322 203 W C -1.733 174.768 176.519 -0.031 0.000 1.342 203 W CA -0.947 56.404 57.345 0.010 0.000 1.218 203 W CB -0.144 29.310 29.460 -0.011 0.000 1.205 203 W HN 0.488 nan 8.180 nan 0.000 0.551 204 P HA -0.223 nan 4.420 nan 0.000 0.217 204 P C 1.715 179.032 177.300 0.029 0.000 1.151 204 P CA 2.427 65.440 63.100 -0.145 0.000 0.849 204 P CB 0.095 31.537 31.700 -0.430 0.000 0.787 205 G N -0.563 108.283 108.800 0.076 0.000 2.408 205 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 205 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 205 G C 1.238 176.173 174.900 0.058 0.000 1.150 205 G CA 0.707 45.835 45.100 0.046 0.000 0.776 205 G HN 0.182 nan 8.290 nan 0.000 0.542 206 D N 0.533 121.004 120.400 0.118 0.000 2.149 206 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 206 D C 2.549 178.888 176.300 0.064 0.000 0.972 206 D CA 0.280 54.336 54.000 0.095 0.000 0.835 206 D CB -0.063 40.833 40.800 0.159 0.000 0.966 206 D HN 0.350 nan 8.370 nan 0.000 0.476 207 I N 0.714 121.336 120.570 0.087 0.000 2.179 207 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 207 I C 2.433 178.563 176.117 0.022 0.000 1.088 207 I CA 0.864 62.198 61.300 0.057 0.000 1.357 207 I CB -0.111 37.957 38.000 0.114 0.000 1.051 207 I HN -0.114 nan 8.210 nan 0.000 0.409 208 K N 1.474 121.893 120.400 0.032 0.000 2.032 208 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 208 K C 2.129 178.727 176.600 -0.003 0.000 1.048 208 K CA 1.935 58.231 56.287 0.014 0.000 0.927 208 K CB -0.492 32.020 32.500 0.021 0.000 0.712 208 K HN 0.320 nan 8.250 nan 0.000 0.441 209 A N 0.868 123.687 122.820 -0.002 0.000 1.940 209 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 209 A C 2.368 179.934 177.584 -0.029 0.000 1.176 209 A CA 1.488 53.518 52.037 -0.012 0.000 0.631 209 A CB -0.467 18.529 19.000 -0.008 0.000 0.814 209 A HN 0.325 nan 8.150 nan 0.000 0.446 210 I N -0.499 120.047 120.570 -0.040 0.000 2.233 210 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 210 I C 2.231 178.293 176.117 -0.091 0.000 1.093 210 I CA 0.942 62.196 61.300 -0.075 0.000 1.380 210 I CB -0.307 37.636 38.000 -0.094 0.000 1.067 210 I HN 0.269 nan 8.210 nan 0.000 0.413 211 L N 0.303 121.480 121.223 -0.077 0.000 2.187 211 L HA -0.232 4.107 4.340 -0.000 0.000 0.213 211 L C 1.733 178.571 176.870 -0.053 0.000 1.100 211 L CA 1.035 55.829 54.840 -0.078 0.000 0.765 211 L CB -0.700 41.323 42.059 -0.060 0.000 0.904 211 L HN 0.264 nan 8.230 nan 0.000 0.437 212 D N 0.256 120.634 120.400 -0.037 0.000 2.348 212 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 212 D C 1.746 178.036 176.300 -0.016 0.000 0.970 212 D CA 0.972 54.960 54.000 -0.020 0.000 0.889 212 D CB 0.119 40.912 40.800 -0.012 0.000 0.912 212 D HN 0.332 nan 8.370 nan 0.000 0.524 213 K N -0.396 119.982 120.400 -0.036 0.000 2.358 213 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 213 K C -0.012 176.563 176.600 -0.042 0.000 1.025 213 K CA -0.392 55.876 56.287 -0.031 0.000 1.104 213 K CB 0.883 33.348 32.500 -0.058 0.000 0.855 213 K HN -0.055 nan 8.250 nan 0.000 0.531 214 L N 1.449 122.638 121.223 -0.056 0.000 2.395 214 L HA 0.163 4.503 4.340 -0.000 0.000 0.269 214 L C 0.467 177.369 176.870 0.054 0.000 1.133 214 L CA -0.089 54.704 54.840 -0.079 0.000 0.812 214 L CB 0.410 42.418 42.059 -0.086 0.000 1.125 214 L HN 0.146 nan 8.230 nan 0.000 0.452 215 H N 1.005 120.061 119.070 -0.022 0.000 2.597 215 H HA 0.219 4.775 4.556 -0.000 0.000 0.370 215 H C -0.073 175.244 175.328 -0.019 0.000 1.281 215 H CA -0.723 55.317 56.048 -0.014 0.000 1.422 215 H CB 0.695 30.455 29.762 -0.003 0.000 1.524 215 H HN 0.588 nan 8.280 nan 0.000 0.607 216 N N 0.065 118.837 118.700 0.120 0.000 2.424 216 N HA 0.115 4.854 4.740 -0.000 0.000 0.257 216 N C -0.366 175.157 175.510 0.020 0.000 1.250 216 N CA -0.625 52.449 53.050 0.039 0.000 0.946 216 N CB 0.782 39.283 38.487 0.023 0.000 1.175 216 N HN 0.190 nan 8.380 nan 0.000 0.477 217 L N 1.084 122.261 121.223 -0.077 0.000 2.483 217 L HA -0.006 4.334 4.340 -0.000 0.000 0.275 217 L C 0.774 177.688 176.870 0.073 0.000 1.220 217 L CA -0.011 54.722 54.840 -0.179 0.000 0.833 217 L CB -0.067 41.572 42.059 -0.702 0.000 1.102 217 L HN 0.603 nan 8.230 nan 0.000 0.490 218 N N 0.191 119.020 118.700 0.214 0.000 2.374 218 N HA -0.094 4.646 4.740 -0.000 0.000 0.269 218 N C 1.054 176.773 175.510 0.348 0.000 1.310 218 N CA 0.192 53.431 53.050 0.315 0.000 0.877 218 N CB 0.609 39.370 38.487 0.457 0.000 1.096 218 N HN 0.617 nan 8.380 nan 0.000 0.484 219 S N 2.348 118.144 115.700 0.161 0.000 2.595 219 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 219 S C 1.151 175.757 174.600 0.010 0.000 0.974 219 S CA 0.260 58.520 58.200 0.100 0.000 0.942 219 S CB -0.043 63.178 63.200 0.036 0.000 0.766 219 S HN 0.616 nan 8.310 nan 0.000 0.536 220 N N 0.040 118.697 118.700 -0.071 0.000 2.416 220 N HA 0.063 4.803 4.740 -0.000 0.000 0.177 220 N C 0.628 175.869 175.510 -0.448 0.000 1.036 220 N CA 0.826 53.665 53.050 -0.351 0.000 0.901 220 N CB -0.011 38.085 38.487 -0.652 0.000 0.976 220 N HN 0.610 nan 8.380 nan 0.000 0.444 221 W N -0.542 120.685 121.300 -0.121 0.000 2.942 221 W HA 0.281 4.941 4.660 -0.000 0.000 0.260 221 W C -0.146 176.047 176.519 -0.543 0.000 1.101 221 W CA -0.153 56.948 57.345 -0.408 0.000 1.436 221 W CB 0.135 29.176 29.460 -0.698 0.000 0.883 221 W HN -0.187 nan 8.180 nan 0.000 0.646 222 F N 1.045 121.104 119.950 0.181 0.000 2.507 222 F HA 0.484 5.011 4.527 -0.000 0.000 0.327 222 F C -1.946 173.883 175.800 0.049 0.000 1.068 222 F CA -2.727 55.330 58.000 0.095 0.000 0.965 222 F CB -0.120 38.925 39.000 0.075 0.000 1.192 222 F HN -0.457 nan 8.300 nan 0.000 0.476 223 P HA 0.184 nan 4.420 nan 0.000 0.272 223 P C -0.841 176.524 177.300 0.109 0.000 1.223 223 P CA -0.431 62.740 63.100 0.117 0.000 0.784 223 P CB 0.459 32.212 31.700 0.089 0.000 0.923 224 A N 2.093 124.953 122.820 0.067 0.000 2.531 224 A HA 0.411 4.731 4.320 -0.000 0.000 0.236 224 A C 1.483 179.092 177.584 0.042 0.000 1.062 224 A CA 0.777 52.843 52.037 0.049 0.000 0.760 224 A CB -1.389 17.628 19.000 0.027 0.000 0.995 224 A HN 0.909 nan 8.150 nan 0.000 0.501 225 G N 1.407 110.227 108.800 0.033 0.000 2.176 225 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.253 225 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.253 225 G C 0.423 175.335 174.900 0.022 0.000 0.979 225 G CA 0.319 45.433 45.100 0.024 0.000 0.641 225 G HN 1.199 nan 8.290 nan 0.000 0.530 226 S N 1.417 117.133 115.700 0.026 0.000 2.510 226 S HA 0.446 4.916 4.470 -0.000 0.000 0.279 226 S C 0.519 175.093 174.600 -0.043 0.000 1.284 226 S CA -0.001 58.198 58.200 -0.001 0.000 1.059 226 S CB 1.089 64.294 63.200 0.008 0.000 0.901 226 S HN 0.411 nan 8.310 nan 0.000 0.491 227 K N 3.333 123.710 120.400 -0.038 0.000 2.123 227 K HA 0.403 4.723 4.320 -0.000 0.000 0.259 227 K C -2.660 173.910 176.600 -0.050 0.000 0.960 227 K CA -2.293 53.972 56.287 -0.038 0.000 0.872 227 K CB 0.769 33.254 32.500 -0.025 0.000 1.079 227 K HN 0.289 nan 8.250 nan 0.000 0.440 228 P HA -0.037 nan 4.420 nan 0.000 0.268 228 P C -0.512 176.853 177.300 0.108 0.000 1.205 228 P CA -0.210 62.891 63.100 0.000 0.000 0.771 228 P CB 0.201 31.951 31.700 0.083 0.000 0.858 229 F N 4.728 124.672 119.950 -0.011 0.000 2.504 229 F HA 0.219 4.746 4.527 -0.000 0.000 0.369 229 F C -0.342 175.525 175.800 0.111 0.000 1.082 229 F CA -0.549 57.474 58.000 0.039 0.000 1.216 229 F CB -0.151 38.913 39.000 0.106 0.000 1.108 229 F HN 0.109 nan 8.300 nan 0.000 0.554 230 I N 8.835 129.263 120.570 -0.237 0.000 2.418 230 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 230 I C -1.196 174.698 176.117 -0.372 0.000 1.008 230 I CA -0.788 60.337 61.300 -0.290 0.000 1.104 230 I CB 1.151 39.072 38.000 -0.132 0.000 1.264 230 I HN 0.531 nan 8.210 nan 0.000 0.438 231 Y N 3.191 123.175 120.300 -0.526 0.000 2.326 231 Y HA 0.674 5.224 4.550 -0.000 0.000 0.329 231 Y C -0.468 175.342 175.900 -0.151 0.000 0.973 231 Y CA -1.391 56.500 58.100 -0.348 0.000 1.162 231 Y CB 0.676 38.884 38.460 -0.421 0.000 1.147 231 Y HN 0.482 nan 8.280 nan 0.000 0.456 232 Q N 2.640 122.446 119.800 0.011 0.000 2.279 232 Q HA 0.170 4.510 4.340 -0.000 0.000 0.256 232 Q C -0.458 175.551 176.000 0.014 0.000 0.937 232 Q CA -0.489 55.291 55.803 -0.038 0.000 0.933 232 Q CB 1.586 30.292 28.738 -0.052 0.000 1.189 232 Q HN 0.740 nan 8.270 nan 0.000 0.417 233 E N 3.253 123.462 120.200 0.015 0.000 1.932 233 E HA 0.154 4.504 4.350 -0.000 0.000 0.275 233 E C -1.288 175.354 176.600 0.069 0.000 1.159 233 E CA -0.234 56.251 56.400 0.142 0.000 0.905 233 E CB 0.350 30.156 29.700 0.177 0.000 1.059 233 E HN 0.305 nan 8.360 nan 0.000 0.400 234 V N 6.819 126.783 119.914 0.083 0.000 2.378 234 V HA 0.293 4.412 4.120 -0.000 0.000 0.288 234 V C 0.124 176.251 176.094 0.055 0.000 1.016 234 V CA -0.686 61.578 62.300 -0.061 0.000 0.840 234 V CB 1.446 33.133 31.823 -0.228 0.000 0.994 234 V HN 0.590 nan 8.190 nan 0.000 0.431 235 I N 4.421 124.915 120.570 -0.128 0.000 2.269 235 I HA 0.269 4.438 4.170 -0.000 0.000 0.293 235 I C -0.225 175.823 176.117 -0.115 0.000 1.106 235 I CA 0.311 61.446 61.300 -0.274 0.000 1.248 235 I CB 0.473 38.150 38.000 -0.538 0.000 1.444 235 I HN 0.559 nan 8.210 nan 0.000 0.497 236 D N 7.287 127.692 120.400 0.009 0.000 2.446 236 D HA 0.280 4.920 4.640 -0.000 0.000 0.251 236 D C 0.156 176.489 176.300 0.055 0.000 1.137 236 D CA -0.330 53.686 54.000 0.026 0.000 0.890 236 D CB 0.956 41.791 40.800 0.057 0.000 1.071 236 D HN 0.382 nan 8.370 nan 0.000 0.528 237 L N 2.787 124.025 121.223 0.025 0.000 2.741 237 L HA 0.459 4.799 4.340 -0.000 0.000 0.237 237 L C 1.182 178.081 176.870 0.048 0.000 1.178 237 L CA -0.103 54.767 54.840 0.050 0.000 0.973 237 L CB -0.435 41.643 42.059 0.032 0.000 1.255 237 L HN 0.609 nan 8.230 nan 0.000 0.498 238 G N -0.358 108.466 108.800 0.041 0.000 2.781 238 G HA2 0.077 4.036 3.960 -0.000 0.000 0.683 238 G HA3 0.077 4.036 3.960 -0.000 0.000 0.683 238 G C 0.601 175.513 174.900 0.021 0.000 1.390 238 G CA -0.356 44.766 45.100 0.036 0.000 0.850 238 G HN 0.552 nan 8.290 nan 0.000 0.557 239 G N -0.977 107.835 108.800 0.019 0.000 2.179 239 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.260 239 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.260 239 G C 0.283 175.194 174.900 0.019 0.000 0.977 239 G CA 1.643 46.752 45.100 0.015 0.000 0.641 239 G HN 1.213 nan 8.290 nan 0.000 0.533 240 E N 0.190 120.403 120.200 0.021 0.000 2.222 240 E HA 0.441 4.791 4.350 -0.000 0.000 0.267 240 E C -1.315 175.302 176.600 0.029 0.000 0.963 240 E CA -1.635 54.784 56.400 0.032 0.000 0.837 240 E CB 1.872 31.593 29.700 0.035 0.000 1.183 240 E HN 0.070 nan 8.360 nan 0.000 0.403 241 P HA -0.017 nan 4.420 nan 0.000 0.221 241 P C 0.233 177.544 177.300 0.018 0.000 1.150 241 P CA 0.934 64.048 63.100 0.023 0.000 0.800 241 P CB 0.354 32.068 31.700 0.023 0.000 0.787 242 I N 0.597 121.178 120.570 0.019 0.000 2.395 242 I HA 0.115 4.285 4.170 -0.000 0.000 0.289 242 I C 0.498 176.642 176.117 0.044 0.000 1.023 242 I CA -0.325 60.991 61.300 0.027 0.000 1.350 242 I CB 0.719 38.730 38.000 0.019 0.000 1.409 242 I HN -0.223 nan 8.210 nan 0.000 0.507 243 K N 3.747 124.179 120.400 0.053 0.000 2.259 243 K HA 0.309 4.629 4.320 -0.000 0.000 0.252 243 K C 0.769 177.422 176.600 0.088 0.000 0.936 243 K CA -0.606 55.704 56.287 0.038 0.000 0.810 243 K CB 1.741 34.232 32.500 -0.016 0.000 1.143 243 K HN 0.603 nan 8.250 nan 0.000 0.427 244 S N -0.154 115.588 115.700 0.070 0.000 2.474 244 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 244 S C 1.710 176.259 174.600 -0.085 0.000 0.997 244 S CA 1.274 59.544 58.200 0.118 0.000 0.949 244 S CB -0.444 62.843 63.200 0.146 0.000 0.766 244 S HN 0.650 nan 8.310 nan 0.000 0.517 245 S N 1.702 117.141 115.700 -0.435 0.000 2.481 245 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 245 S C 1.103 175.272 174.600 -0.718 0.000 0.996 245 S CA 0.753 58.182 58.200 -1.285 0.000 0.942 245 S CB -0.475 62.252 63.200 -0.788 0.000 0.768 245 S HN 0.412 nan 8.310 nan 0.000 0.520 246 D N 0.606 120.845 120.400 -0.267 0.000 2.310 246 D HA -0.001 4.639 4.640 -0.000 0.000 0.212 246 D C 0.435 176.576 176.300 -0.265 0.000 0.965 246 D CA 0.866 54.726 54.000 -0.234 0.000 0.879 246 D CB -0.234 40.412 40.800 -0.258 0.000 0.921 246 D HN 0.614 nan 8.370 nan 0.000 0.510 247 Y N -1.052 119.224 120.300 -0.040 0.000 2.507 247 Y HA 0.133 4.683 4.550 -0.000 0.000 0.254 247 Y C 1.441 177.519 175.900 0.296 0.000 1.171 247 Y CA -0.481 57.686 58.100 0.112 0.000 1.238 247 Y CB 0.006 38.535 38.460 0.116 0.000 1.148 247 Y HN -0.173 nan 8.280 nan 0.000 0.525 248 F N 0.025 120.108 119.950 0.222 0.000 2.250 248 F HA -0.095 4.432 4.527 -0.000 0.000 0.301 248 F C 2.297 178.255 175.800 0.263 0.000 1.077 248 F CA 1.116 59.247 58.000 0.217 0.000 1.348 248 F CB -1.211 37.869 39.000 0.133 0.000 1.040 248 F HN 0.136 nan 8.300 nan 0.000 0.509 249 G N -0.699 108.326 108.800 0.376 0.000 2.598 249 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.215 249 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.215 249 G C 1.528 176.563 174.900 0.226 0.000 1.131 249 G CA 0.487 45.757 45.100 0.283 0.000 0.785 249 G HN 0.262 nan 8.290 nan 0.000 0.539 250 N N 0.142 118.972 118.700 0.217 0.000 2.415 250 N HA 0.251 4.990 4.740 -0.000 0.000 0.174 250 N C 1.124 176.631 175.510 -0.006 0.000 1.048 250 N CA 1.005 54.114 53.050 0.098 0.000 0.895 250 N CB 1.121 39.689 38.487 0.135 0.000 1.036 250 N HN 0.433 nan 8.380 nan 0.000 0.449 251 G N -0.322 108.558 108.800 0.133 0.000 2.368 251 G HA2 0.110 4.070 3.960 -0.000 0.000 0.269 251 G HA3 0.110 4.070 3.960 -0.000 0.000 0.269 251 G C -1.272 173.831 174.900 0.338 0.000 1.291 251 G CA -0.882 44.236 45.100 0.030 0.000 0.903 251 G HN -0.053 nan 8.290 nan 0.000 0.483 252 R N -0.919 119.729 120.500 0.247 0.000 2.649 252 R HA 0.590 4.930 4.340 -0.000 0.000 0.270 252 R C 0.024 176.445 176.300 0.200 0.000 1.105 252 R CA 0.118 56.348 56.100 0.218 0.000 1.193 252 R CB 1.217 31.628 30.300 0.184 0.000 1.120 252 R HN 1.065 nan 8.270 nan 0.000 0.561 253 V N -2.578 117.457 119.914 0.203 0.000 2.876 253 V HA 0.415 4.535 4.120 -0.000 0.000 0.312 253 V C -0.029 176.183 176.094 0.197 0.000 1.085 253 V CA -1.101 61.328 62.300 0.215 0.000 0.945 253 V CB 1.819 33.817 31.823 0.291 0.000 1.017 253 V HN 0.910 nan 8.190 nan 0.000 0.428 254 T N -0.112 114.579 114.554 0.230 0.000 2.834 254 T HA 0.414 4.764 4.350 -0.000 0.000 0.298 254 T C -0.095 174.728 174.700 0.205 0.000 0.966 254 T CA 0.008 62.262 62.100 0.257 0.000 1.141 254 T CB 0.910 69.974 68.868 0.327 0.000 0.905 254 T HN 0.996 nan 8.240 nan 0.000 0.535 255 E N 2.545 122.758 120.200 0.021 0.000 1.986 255 E HA 0.300 4.650 4.350 -0.000 0.000 0.264 255 E C -0.365 176.055 176.600 -0.301 0.000 1.023 255 E CA -1.098 55.253 56.400 -0.082 0.000 0.834 255 E CB -0.554 29.069 29.700 -0.127 0.000 1.111 255 E HN 0.683 nan 8.360 nan 0.000 0.417 256 F N 2.446 122.334 119.950 -0.104 0.000 2.502 256 F HA 0.026 4.553 4.527 0.000 0.000 0.298 256 F C 1.669 177.366 175.800 -0.172 0.000 1.111 256 F CA 0.693 58.627 58.000 -0.111 0.000 1.445 256 F CB 0.242 39.278 39.000 0.060 0.000 1.081 256 F HN 0.366 nan 8.300 nan 0.000 0.558 257 K N -1.131 119.221 120.400 -0.081 0.000 2.288 257 K HA -0.180 4.140 4.320 -0.000 0.000 0.201 257 K C 1.661 178.028 176.600 -0.387 0.000 1.048 257 K CA 0.794 56.993 56.287 -0.147 0.000 0.956 257 K CB -0.294 32.144 32.500 -0.104 0.000 0.746 257 K HN 0.251 nan 8.250 nan 0.000 0.461 258 Y N 0.954 120.780 120.300 -0.790 0.000 2.089 258 Y HA -0.192 4.357 4.550 -0.000 0.000 0.282 258 Y C 2.356 178.113 175.900 -0.237 0.000 1.139 258 Y CA 2.032 59.700 58.100 -0.719 0.000 1.123 258 Y CB -0.633 37.413 38.460 -0.690 0.000 0.980 258 Y HN 0.045 nan 8.280 nan 0.000 0.493 259 G N -0.666 108.077 108.800 -0.095 0.000 2.408 259 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 259 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 259 G C 1.779 176.661 174.900 -0.031 0.000 1.150 259 G CA 0.821 45.894 45.100 -0.045 0.000 0.776 259 G HN 0.604 nan 8.290 nan 0.000 0.542 260 A N 0.772 123.593 122.820 0.001 0.000 1.877 260 A HA -0.002 4.317 4.320 -0.000 0.000 0.216 260 A C 2.377 179.981 177.584 0.033 0.000 1.186 260 A CA 1.991 54.053 52.037 0.041 0.000 0.620 260 A CB -0.276 18.779 19.000 0.092 0.000 0.822 260 A HN 0.191 nan 8.150 nan 0.000 0.443 261 K N -0.724 119.732 120.400 0.092 0.000 2.103 261 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 261 K C 1.816 178.394 176.600 -0.036 0.000 1.052 261 K CA 0.868 57.265 56.287 0.182 0.000 0.945 261 K CB -0.885 31.903 32.500 0.481 0.000 0.722 261 K HN 0.406 nan 8.250 nan 0.000 0.443 262 L N 0.617 121.739 121.223 -0.168 0.000 2.083 262 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 262 L C 1.965 178.612 176.870 -0.372 0.000 1.083 262 L CA 1.999 56.556 54.840 -0.471 0.000 0.752 262 L CB -0.984 40.791 42.059 -0.473 0.000 0.899 262 L HN 0.238 nan 8.230 nan 0.000 0.433 263 G N -1.881 106.767 108.800 -0.252 0.000 2.402 263 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 263 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 263 G C 1.545 176.184 174.900 -0.435 0.000 1.162 263 G CA 1.208 46.128 45.100 -0.300 0.000 0.777 263 G HN 0.494 nan 8.290 nan 0.000 0.539 264 T N -0.907 113.445 114.554 -0.336 0.000 2.867 264 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 264 T C 2.277 176.849 174.700 -0.214 0.000 1.057 264 T CA 1.469 63.386 62.100 -0.306 0.000 1.136 264 T CB -0.342 68.535 68.868 0.015 0.000 0.874 264 T HN 0.004 nan 8.240 nan 0.000 0.466 265 V N 1.569 121.361 119.914 -0.204 0.000 2.323 265 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 265 V C 2.750 178.664 176.094 -0.299 0.000 1.041 265 V CA 1.142 63.315 62.300 -0.211 0.000 1.025 265 V CB -0.541 31.091 31.823 -0.319 0.000 0.656 265 V HN 0.418 nan 8.190 nan 0.000 0.451 266 I N 0.151 120.491 120.570 -0.383 0.000 2.361 266 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 266 I C 2.467 178.412 176.117 -0.287 0.000 1.133 266 I CA 1.582 62.665 61.300 -0.361 0.000 1.413 266 I CB -1.205 36.575 38.000 -0.366 0.000 1.073 266 I HN 0.319 nan 8.210 nan 0.000 0.424 267 R N 0.707 120.993 120.500 -0.356 0.000 2.275 267 R HA -0.022 4.318 4.340 -0.000 0.000 0.199 267 R C 0.325 176.548 176.300 -0.128 0.000 0.989 267 R CA 0.026 55.914 56.100 -0.354 0.000 1.016 267 R CB 0.040 29.802 30.300 -0.898 0.000 0.918 267 R HN 0.162 nan 8.270 nan 0.000 0.473 268 K N -0.984 119.351 120.400 -0.108 0.000 3.167 268 K HA -0.148 4.172 4.320 -0.000 0.000 0.272 268 K C -1.081 175.656 176.600 0.228 0.000 1.137 268 K CA 0.443 56.746 56.287 0.026 0.000 0.800 268 K CB -1.164 31.345 32.500 0.015 0.000 1.253 268 K HN 0.138 nan 8.250 nan 0.000 0.497 269 W N 0.999 122.289 121.300 -0.017 0.000 2.237 269 W HA 0.268 4.928 4.660 0.000 0.000 0.335 269 W C 1.043 177.574 176.519 0.019 0.000 1.230 269 W CA -0.438 56.907 57.345 0.000 0.000 1.253 269 W CB -0.179 29.284 29.460 0.004 0.000 1.129 269 W HN 0.308 nan 8.180 nan 0.000 0.590 270 N N 0.266 119.096 118.700 0.218 0.000 2.725 270 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 270 N C 0.863 176.450 175.510 0.128 0.000 1.103 270 N CA 0.388 53.519 53.050 0.135 0.000 0.707 270 N CB -1.221 37.354 38.487 0.147 0.000 1.043 270 N HN 0.944 nan 8.380 nan 0.000 0.553 271 G N -0.598 108.274 108.800 0.120 0.000 2.166 271 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.260 271 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.260 271 G C -0.076 174.899 174.900 0.125 0.000 0.986 271 G CA 0.806 45.969 45.100 0.106 0.000 0.683 271 G HN 0.645 nan 8.290 nan 0.000 0.527 272 E N 0.217 120.500 120.200 0.139 0.000 2.373 272 E HA 0.496 4.846 4.350 -0.000 0.000 0.263 272 E C 0.534 177.088 176.600 -0.078 0.000 1.073 272 E CA 0.203 56.689 56.400 0.143 0.000 0.894 272 E CB 0.543 30.359 29.700 0.193 0.000 1.008 272 E HN 0.652 nan 8.360 nan 0.000 0.420 273 K N 1.124 121.338 120.400 -0.310 0.000 2.508 273 K HA 0.342 4.662 4.320 -0.000 0.000 0.260 273 K C 0.371 176.769 176.600 -0.337 0.000 0.949 273 K CA -0.808 55.244 56.287 -0.391 0.000 0.834 273 K CB 1.135 33.344 32.500 -0.484 0.000 1.365 273 K HN 0.314 nan 8.250 nan 0.000 0.437 274 M N 1.134 120.563 119.600 -0.285 0.000 2.358 274 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 274 M C 1.555 177.825 176.300 -0.050 0.000 1.064 274 M CA 1.845 56.985 55.300 -0.267 0.000 1.093 274 M CB -0.383 32.027 32.600 -0.316 0.000 1.401 274 M HN 0.888 nan 8.290 nan 0.000 0.440 275 S N -0.577 115.094 115.700 -0.049 0.000 2.474 275 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 275 S C 1.424 176.224 174.600 0.334 0.000 0.997 275 S CA 0.678 58.993 58.200 0.192 0.000 0.949 275 S CB -0.607 62.628 63.200 0.059 0.000 0.766 275 S HN 0.432 nan 8.310 nan 0.000 0.517 276 Y N 1.587 121.980 120.300 0.156 0.000 2.561 276 Y HA 0.352 4.901 4.550 -0.001 0.000 0.291 276 Y C 1.630 177.699 175.900 0.283 0.000 1.141 276 Y CA -0.845 57.365 58.100 0.185 0.000 1.303 276 Y CB -0.735 37.846 38.460 0.200 0.000 1.015 276 Y HN 0.294 nan 8.280 nan 0.000 0.547 277 L N -0.100 121.268 121.223 0.241 0.000 2.675 277 L HA -0.073 4.267 4.340 -0.000 0.000 0.239 277 L C 2.234 179.002 176.870 -0.170 0.000 1.151 277 L CA 0.479 55.294 54.840 -0.042 0.000 0.905 277 L CB -0.320 41.485 42.059 -0.424 0.000 1.057 277 L HN 0.095 nan 8.230 nan 0.000 0.435 278 K N 1.749 121.927 120.400 -0.370 0.000 2.063 278 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 278 K C 1.177 177.499 176.600 -0.463 0.000 1.048 278 K CA 1.755 57.455 56.287 -0.978 0.000 0.928 278 K CB 0.112 32.183 32.500 -0.716 0.000 0.713 278 K HN 0.426 nan 8.250 nan 0.000 0.442 279 N N -0.264 118.365 118.700 -0.117 0.000 2.380 279 N HA -0.071 4.669 4.740 -0.000 0.000 0.255 279 N C -0.682 174.864 175.510 0.060 0.000 1.158 279 N CA -0.467 52.556 53.050 -0.044 0.000 0.878 279 N CB -0.586 37.891 38.487 -0.015 0.000 1.138 279 N HN 0.255 nan 8.380 nan 0.000 0.509 280 W N 1.473 122.560 121.300 -0.355 0.000 2.314 280 W HA 0.294 4.954 4.660 -0.001 0.000 0.339 280 W C 0.512 176.650 176.519 -0.634 0.000 1.293 280 W CA 1.880 58.758 57.345 -0.778 0.000 1.288 280 W CB 0.344 29.311 29.460 -0.821 0.000 1.186 280 W HN 0.470 nan 8.180 nan 0.000 0.566 281 G N 4.024 111.982 108.800 -1.404 0.000 2.317 281 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.196 281 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.196 281 G C 0.349 174.760 174.900 -0.815 0.000 1.255 281 G CA 0.073 44.460 45.100 -1.189 0.000 1.243 281 G HN 0.458 nan 8.290 nan 0.000 0.535 282 E N 0.626 120.641 120.200 -0.308 0.000 2.130 282 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 282 E C 2.510 178.995 176.600 -0.191 0.000 0.998 282 E CA 1.838 58.161 56.400 -0.129 0.000 0.806 282 E CB -0.552 29.154 29.700 0.010 0.000 0.738 282 E HN 0.820 nan 8.360 nan 0.000 0.459 283 G N -0.684 108.007 108.800 -0.182 0.000 2.535 283 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 283 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 283 G C 0.437 175.219 174.900 -0.196 0.000 1.122 283 G CA 0.322 45.341 45.100 -0.135 0.000 0.769 283 G HN 0.256 nan 8.290 nan 0.000 0.549 284 W N -0.440 120.440 121.300 -0.702 0.000 3.239 284 W HA 0.446 5.106 4.660 -0.001 0.000 0.348 284 W C 1.583 177.698 176.519 -0.674 0.000 1.183 284 W CA -0.272 56.581 57.345 -0.820 0.000 1.819 284 W CB 0.268 28.876 29.460 -1.421 0.000 1.091 284 W HN 0.275 nan 8.180 nan 0.000 0.629 285 G N -0.584 108.052 108.800 -0.273 0.000 2.141 285 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.231 285 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.231 285 G C 0.032 175.025 174.900 0.155 0.000 0.984 285 G CA -0.555 44.514 45.100 -0.052 0.000 0.660 285 G HN -0.026 nan 8.290 nan 0.000 0.525 286 F N 0.623 120.532 119.950 -0.069 0.000 2.403 286 F HA 0.592 5.119 4.527 -0.000 0.000 0.320 286 F C 1.483 177.338 175.800 0.092 0.000 1.176 286 F CA -1.314 56.656 58.000 -0.050 0.000 1.206 286 F CB 0.338 39.157 39.000 -0.301 0.000 1.235 286 F HN 0.341 nan 8.300 nan 0.000 0.565 287 V N -0.291 119.863 119.914 0.401 0.000 3.237 287 V HA 0.284 4.403 4.120 -0.000 0.000 0.305 287 V C -2.469 173.812 176.094 0.312 0.000 1.096 287 V CA -1.816 60.715 62.300 0.384 0.000 1.130 287 V CB -0.414 31.670 31.823 0.434 0.000 1.048 287 V HN 0.524 nan 8.190 nan 0.000 0.484 288 P HA 0.069 nan 4.420 nan 0.000 0.266 288 P C 0.975 178.243 177.300 -0.053 0.000 1.195 288 P CA 0.648 63.775 63.100 0.044 0.000 0.768 288 P CB 0.703 32.347 31.700 -0.094 0.000 0.838 289 S N 2.477 118.131 115.700 -0.077 0.000 2.387 289 S HA -0.203 4.267 4.470 -0.000 0.000 0.230 289 S C 1.267 175.666 174.600 -0.336 0.000 1.035 289 S CA 1.960 59.902 58.200 -0.429 0.000 1.014 289 S CB -0.913 62.123 63.200 -0.272 0.000 0.836 289 S HN 0.624 nan 8.310 nan 0.000 0.466 290 D N -0.423 119.838 120.400 -0.231 0.000 2.352 290 D HA 0.003 4.643 4.640 -0.000 0.000 0.232 290 D C 1.251 177.407 176.300 -0.239 0.000 1.055 290 D CA 0.222 54.095 54.000 -0.213 0.000 0.891 290 D CB -0.216 40.462 40.800 -0.204 0.000 0.897 290 D HN 0.271 nan 8.370 nan 0.000 0.529 291 R N -0.213 120.120 120.500 -0.277 0.000 2.549 291 R HA 0.463 4.803 4.340 -0.000 0.000 0.344 291 R C -0.202 176.031 176.300 -0.111 0.000 0.979 291 R CA -0.229 55.711 56.100 -0.267 0.000 1.140 291 R CB 0.936 30.808 30.300 -0.714 0.000 1.377 291 R HN 0.178 nan 8.270 nan 0.000 0.541 292 A N 1.315 124.051 122.820 -0.140 0.000 2.337 292 A HA 0.588 4.908 4.320 -0.000 0.000 0.329 292 A C -0.806 176.730 177.584 -0.080 0.000 1.146 292 A CA -0.504 51.470 52.037 -0.105 0.000 0.800 292 A CB 1.224 20.088 19.000 -0.226 0.000 1.220 292 A HN 0.112 nan 8.150 nan 0.000 0.472 293 L N 4.739 125.953 121.223 -0.016 0.000 2.318 293 L HA 0.598 4.937 4.340 -0.000 0.000 0.277 293 L C -0.411 176.449 176.870 -0.017 0.000 1.008 293 L CA -0.352 54.491 54.840 0.004 0.000 0.846 293 L CB 0.774 42.825 42.059 -0.014 0.000 1.220 293 L HN 0.688 nan 8.230 nan 0.000 0.423 294 V N 3.107 122.925 119.914 -0.161 0.000 2.850 294 V HA 0.830 4.949 4.120 -0.000 0.000 0.315 294 V C -0.657 175.332 176.094 -0.176 0.000 1.064 294 V CA -0.600 61.423 62.300 -0.461 0.000 0.979 294 V CB 1.834 33.034 31.823 -1.038 0.000 1.039 294 V HN 0.688 nan 8.190 nan 0.000 0.452 295 F N -0.769 118.984 119.950 -0.328 0.000 2.744 295 F HA 0.730 5.257 4.527 -0.001 0.000 0.311 295 F C -0.016 175.793 175.800 0.015 0.000 1.144 295 F CA -0.923 56.991 58.000 -0.142 0.000 0.938 295 F CB 0.699 39.620 39.000 -0.133 0.000 1.292 295 F HN 0.241 nan 8.300 nan 0.000 0.444 296 V N 0.170 120.208 119.914 0.206 0.000 2.346 296 V HA 0.024 4.144 4.120 -0.000 0.000 0.244 296 V C 0.194 176.452 176.094 0.274 0.000 1.037 296 V CA 2.074 64.488 62.300 0.190 0.000 1.029 296 V CB -0.515 31.392 31.823 0.139 0.000 0.663 296 V HN 0.927 nan 8.190 nan 0.000 0.454 297 D N -0.535 120.108 120.400 0.405 0.000 2.570 297 D HA 0.276 4.916 4.640 -0.000 0.000 0.244 297 D C -1.079 175.407 176.300 0.310 0.000 1.178 297 D CA -0.629 53.592 54.000 0.368 0.000 0.881 297 D CB 1.846 42.810 40.800 0.274 0.000 1.453 297 D HN 0.270 nan 8.370 nan 0.000 0.447 298 N N -1.401 117.388 118.700 0.149 0.000 2.629 298 N HA 0.089 4.828 4.740 -0.000 0.000 0.279 298 N C 1.182 176.581 175.510 -0.185 0.000 1.344 298 N CA -0.481 52.523 53.050 -0.077 0.000 0.789 298 N CB 0.683 38.989 38.487 -0.301 0.000 1.508 298 N HN 0.613 nan 8.380 nan 0.000 0.516 299 H N -0.784 118.062 119.070 -0.374 0.000 2.457 299 H HA -0.073 4.483 4.556 -0.000 0.000 0.297 299 H C -0.122 174.773 175.328 -0.722 0.000 1.092 299 H CA 1.304 56.843 56.048 -0.849 0.000 1.309 299 H CB -0.014 28.820 29.762 -1.547 0.000 1.382 299 H HN 0.508 nan 8.280 nan 0.000 0.535 300 D N 1.588 121.429 120.400 -0.932 0.000 2.113 300 D HA -0.127 4.512 4.640 -0.000 0.000 0.206 300 D C 1.921 178.147 176.300 -0.123 0.000 0.979 300 D CA 1.488 55.182 54.000 -0.509 0.000 0.862 300 D CB -0.248 40.370 40.800 -0.303 0.000 1.013 300 D HN 0.574 nan 8.370 nan 0.000 0.455 301 N N 1.113 119.814 118.700 0.002 0.000 2.550 301 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 301 N C 1.447 177.022 175.510 0.107 0.000 1.110 301 N CA 0.603 53.721 53.050 0.113 0.000 0.912 301 N CB -0.687 37.931 38.487 0.218 0.000 0.968 301 N HN 0.380 nan 8.380 nan 0.000 0.448 302 Q N 0.798 120.624 119.800 0.044 0.000 2.435 302 Q HA -0.041 4.298 4.340 -0.000 0.000 0.207 302 Q C 0.858 176.990 176.000 0.219 0.000 0.956 302 Q CA 0.519 56.390 55.803 0.113 0.000 0.917 302 Q CB -0.048 28.738 28.738 0.079 0.000 0.997 302 Q HN 0.600 nan 8.270 nan 0.000 0.497 303 R N -0.921 119.652 120.500 0.121 0.000 2.629 303 R HA 0.411 4.751 4.340 -0.000 0.000 0.386 303 R C 0.630 177.060 176.300 0.218 0.000 1.071 303 R CA 0.075 56.285 56.100 0.183 0.000 1.104 303 R CB 0.213 30.435 30.300 -0.130 0.000 1.370 303 R HN 0.183 nan 8.270 nan 0.000 0.574 304 G N 1.255 110.164 108.800 0.181 0.000 2.187 304 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.261 304 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.261 304 G C 0.371 175.312 174.900 0.068 0.000 1.000 304 G CA 0.633 45.812 45.100 0.133 0.000 0.718 304 G HN 0.624 nan 8.290 nan 0.000 0.519 305 H N -0.049 119.076 119.070 0.091 0.000 2.539 305 H HA 0.365 4.921 4.556 -0.000 0.000 0.269 305 H C 1.466 176.833 175.328 0.066 0.000 0.980 305 H CA 1.116 57.236 56.048 0.119 0.000 1.152 305 H CB 0.748 30.675 29.762 0.274 0.000 1.407 305 H HN 0.613 nan 8.280 nan 0.000 0.564 306 G N -0.567 108.307 108.800 0.123 0.000 2.827 306 G HA2 0.511 4.470 3.960 -0.000 0.000 0.296 306 G HA3 0.511 4.470 3.960 -0.000 0.000 0.296 306 G C -1.073 173.847 174.900 0.033 0.000 1.362 306 G CA -0.213 44.922 45.100 0.058 0.000 0.809 306 G HN 0.235 nan 8.290 nan 0.000 0.522 307 A N -1.537 121.253 122.820 -0.051 0.000 2.445 307 A HA 0.612 4.931 4.320 -0.000 0.000 0.242 307 A C 1.323 178.996 177.584 0.149 0.000 1.075 307 A CA 1.407 53.430 52.037 -0.024 0.000 0.777 307 A CB 0.150 19.030 19.000 -0.199 0.000 1.013 307 A HN 2.586 nan 8.150 nan 0.000 0.493 308 G N 0.280 109.154 108.800 0.123 0.000 2.796 308 G HA2 0.354 4.314 3.960 -0.000 0.000 0.198 308 G HA3 0.354 4.314 3.960 -0.000 0.000 0.198 308 G C 1.599 176.574 174.900 0.125 0.000 1.062 308 G CA 0.830 46.016 45.100 0.144 0.000 0.752 308 G HN 2.881 nan 8.290 nan 0.000 0.487 309 G N 0.295 109.166 108.800 0.119 0.000 2.509 309 G HA2 0.198 4.158 3.960 -0.000 0.000 0.259 309 G HA3 0.198 4.158 3.960 -0.000 0.000 0.259 309 G C 1.254 176.249 174.900 0.159 0.000 1.169 309 G CA 2.225 47.402 45.100 0.129 0.000 0.953 309 G HN 1.986 nan 8.290 nan 0.000 0.563 310 A N -0.181 122.770 122.820 0.219 0.000 2.251 310 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 310 A C 2.440 180.176 177.584 0.253 0.000 1.187 310 A CA 2.115 54.318 52.037 0.278 0.000 0.823 310 A CB -0.466 18.737 19.000 0.338 0.000 0.846 310 A HN 2.031 nan 8.150 nan 0.000 0.486 311 S N -0.255 115.507 115.700 0.102 0.000 2.470 311 S HA 0.137 4.607 4.470 -0.000 0.000 0.225 311 S C 0.748 175.216 174.600 -0.220 0.000 1.006 311 S CA -0.187 57.804 58.200 -0.349 0.000 0.934 311 S CB -0.369 62.683 63.200 -0.248 0.000 0.778 311 S HN 0.267 nan 8.310 nan 0.000 0.517 312 I N 3.042 123.594 120.570 -0.031 0.000 2.741 312 I HA 0.084 4.254 4.170 -0.000 0.000 0.288 312 I C 0.229 176.358 176.117 0.021 0.000 1.192 312 I CA 0.079 61.394 61.300 0.025 0.000 1.426 312 I CB -0.464 37.599 38.000 0.106 0.000 1.367 312 I HN 0.315 nan 8.210 nan 0.000 0.563 313 L N 7.037 128.291 121.223 0.052 0.000 2.312 313 L HA 0.425 4.765 4.340 -0.000 0.000 0.281 313 L C 0.677 177.618 176.870 0.119 0.000 1.070 313 L CA -0.212 54.690 54.840 0.103 0.000 0.805 313 L CB 1.529 43.688 42.059 0.168 0.000 1.174 313 L HN 0.772 nan 8.230 nan 0.000 0.434 314 T N -1.859 112.621 114.554 -0.123 0.000 2.804 314 T HA 0.345 4.694 4.350 -0.000 0.000 0.290 314 T C 0.808 174.962 174.700 -0.910 0.000 1.099 314 T CA -0.622 61.142 62.100 -0.560 0.000 1.011 314 T CB 0.742 69.451 68.868 -0.265 0.000 1.291 314 T HN 0.416 nan 8.240 nan 0.000 0.523 315 F N -1.177 118.212 119.950 -0.934 0.000 2.307 315 F HA 0.145 4.672 4.527 -0.000 0.000 0.301 315 F C 1.651 177.346 175.800 -0.176 0.000 1.076 315 F CA 0.073 57.764 58.000 -0.514 0.000 1.383 315 F CB -1.067 37.675 39.000 -0.430 0.000 1.055 315 F HN 0.551 nan 8.300 nan 0.000 0.526 316 W N 1.592 122.458 121.300 -0.722 0.000 2.392 316 W HA -0.082 4.578 4.660 0.000 0.000 0.279 316 W C 0.793 177.227 176.519 -0.141 0.000 1.225 316 W CA 0.841 57.928 57.345 -0.429 0.000 1.233 316 W CB -0.195 28.948 29.460 -0.527 0.000 1.122 316 W HN 0.011 nan 8.180 nan 0.000 0.561 317 D N 0.156 120.612 120.400 0.093 0.000 3.163 317 D HA 0.247 4.887 4.640 -0.000 0.000 0.284 317 D C 1.514 177.936 176.300 0.203 0.000 1.368 317 D CA 0.279 54.353 54.000 0.122 0.000 0.895 317 D CB 0.233 41.084 40.800 0.085 0.000 1.061 317 D HN 0.025 nan 8.370 nan 0.000 0.496 318 A N 1.553 124.518 122.820 0.241 0.000 1.900 318 A HA -0.359 3.961 4.320 -0.000 0.000 0.225 318 A C 2.193 179.956 177.584 0.298 0.000 1.414 318 A CA 2.003 54.237 52.037 0.328 0.000 0.702 318 A CB -0.516 18.570 19.000 0.144 0.000 0.845 318 A HN 0.338 nan 8.150 nan 0.000 0.478 319 R N -0.672 119.934 120.500 0.176 0.000 2.080 319 R HA -0.072 4.268 4.340 -0.000 0.000 0.236 319 R C 2.178 178.567 176.300 0.147 0.000 1.137 319 R CA 1.883 58.073 56.100 0.149 0.000 0.943 319 R CB -0.401 29.955 30.300 0.093 0.000 0.846 319 R HN 0.584 nan 8.270 nan 0.000 0.431 320 L N -0.797 120.495 121.223 0.115 0.000 2.156 320 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 320 L C 2.256 179.178 176.870 0.086 0.000 1.095 320 L CA 0.841 55.708 54.840 0.045 0.000 0.770 320 L CB -0.539 41.522 42.059 0.003 0.000 0.914 320 L HN 0.285 nan 8.230 nan 0.000 0.439 321 Y N 1.413 121.750 120.300 0.063 0.000 2.145 321 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 321 Y C 2.552 178.525 175.900 0.123 0.000 1.145 321 Y CA 1.528 59.686 58.100 0.096 0.000 1.148 321 Y CB -0.135 38.438 38.460 0.189 0.000 0.981 321 Y HN -0.010 nan 8.280 nan 0.000 0.507 322 K N -0.562 119.975 120.400 0.229 0.000 2.097 322 K HA -0.235 4.085 4.320 -0.000 0.000 0.206 322 K C 2.268 178.847 176.600 -0.035 0.000 1.049 322 K CA 1.823 58.236 56.287 0.209 0.000 0.933 322 K CB -0.260 32.498 32.500 0.430 0.000 0.717 322 K HN 0.397 nan 8.250 nan 0.000 0.442 323 M N 0.177 119.647 119.600 -0.217 0.000 2.156 323 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 323 M C 2.122 178.162 176.300 -0.433 0.000 1.067 323 M CA 1.446 56.364 55.300 -0.635 0.000 1.131 323 M CB -0.015 32.332 32.600 -0.421 0.000 1.368 323 M HN 0.184 nan 8.290 nan 0.000 0.416 324 A N -0.626 122.013 122.820 -0.302 0.000 1.877 324 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 324 A C 2.016 179.499 177.584 -0.168 0.000 1.186 324 A CA 1.824 53.700 52.037 -0.268 0.000 0.620 324 A CB -1.100 17.775 19.000 -0.209 0.000 0.822 324 A HN 0.375 nan 8.150 nan 0.000 0.443 325 V N -0.056 119.720 119.914 -0.230 0.000 2.427 325 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 325 V C 2.770 178.845 176.094 -0.032 0.000 1.051 325 V CA 1.819 64.021 62.300 -0.163 0.000 1.048 325 V CB -1.356 30.291 31.823 -0.294 0.000 0.666 325 V HN 0.623 nan 8.190 nan 0.000 0.456 326 G N -0.864 107.918 108.800 -0.030 0.000 2.418 326 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.217 326 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.217 326 G C 1.575 176.559 174.900 0.141 0.000 1.158 326 G CA 0.964 46.107 45.100 0.072 0.000 0.771 326 G HN 0.498 nan 8.290 nan 0.000 0.545 327 F N 0.846 120.789 119.950 -0.013 0.000 2.134 327 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 327 F C 2.610 178.493 175.800 0.139 0.000 1.097 327 F CA 1.937 59.955 58.000 0.030 0.000 1.264 327 F CB -0.050 38.675 39.000 -0.459 0.000 1.001 327 F HN 0.158 nan 8.300 nan 0.000 0.479 328 M N -0.025 119.732 119.600 0.261 0.000 2.086 328 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 328 M C 1.917 178.316 176.300 0.164 0.000 1.067 328 M CA 1.907 57.393 55.300 0.310 0.000 1.116 328 M CB -0.423 32.351 32.600 0.291 0.000 1.348 328 M HN 0.284 nan 8.290 nan 0.000 0.407 329 L N 0.004 121.275 121.223 0.080 0.000 2.275 329 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 329 L C 2.570 179.492 176.870 0.087 0.000 1.119 329 L CA 0.831 55.695 54.840 0.040 0.000 0.790 329 L CB -0.717 41.344 42.059 0.002 0.000 0.919 329 L HN 0.434 nan 8.230 nan 0.000 0.443 330 A N -2.165 120.692 122.820 0.061 0.000 2.030 330 A HA -0.060 4.259 4.320 -0.000 0.000 0.215 330 A C 1.159 178.961 177.584 0.365 0.000 1.164 330 A CA 0.162 52.289 52.037 0.151 0.000 0.697 330 A CB -0.309 18.611 19.000 -0.135 0.000 0.827 330 A HN 0.280 nan 8.150 nan 0.000 0.457 331 H N 0.969 120.117 119.070 0.130 0.000 2.683 331 H HA 0.171 4.727 4.556 -0.000 0.000 0.339 331 H C -1.690 173.711 175.328 0.122 0.000 1.081 331 H CA -1.367 54.711 56.048 0.050 0.000 1.432 331 H CB 1.487 31.122 29.762 -0.213 0.000 1.462 331 H HN 0.103 nan 8.280 nan 0.000 0.557 332 P HA -0.153 nan 4.420 nan 0.000 0.228 332 P C 0.232 177.621 177.300 0.148 0.000 1.151 332 P CA 0.617 63.737 63.100 0.033 0.000 0.770 332 P CB -0.210 31.460 31.700 -0.051 0.000 0.786 333 Y N 2.222 122.692 120.300 0.285 0.000 2.526 333 Y HA 0.331 4.881 4.550 -0.000 0.000 0.330 333 Y C 1.347 177.284 175.900 0.061 0.000 1.156 333 Y CA 1.153 59.362 58.100 0.183 0.000 1.419 333 Y CB -0.290 38.299 38.460 0.216 0.000 1.250 333 Y HN 0.288 nan 8.280 nan 0.000 0.540 334 G N 4.676 113.048 108.800 -0.712 0.000 2.801 334 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.244 334 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.244 334 G C -1.169 173.620 174.900 -0.185 0.000 1.385 334 G CA -0.101 44.675 45.100 -0.539 0.000 0.894 334 G HN 0.914 nan 8.290 nan 0.000 0.562 335 F N 1.921 121.711 119.950 -0.266 0.000 2.415 335 F HA 0.613 5.140 4.527 -0.000 0.000 0.348 335 F C 1.202 176.887 175.800 -0.191 0.000 1.119 335 F CA 0.096 57.975 58.000 -0.202 0.000 1.069 335 F CB 1.428 40.311 39.000 -0.195 0.000 1.124 335 F HN 0.794 nan 8.300 nan 0.000 0.472 336 T N 3.922 118.084 114.554 -0.653 0.000 2.845 336 T HA 0.416 4.766 4.350 -0.000 0.000 0.288 336 T C -0.357 174.125 174.700 -0.364 0.000 0.980 336 T CA -0.890 60.964 62.100 -0.410 0.000 1.071 336 T CB 1.368 70.045 68.868 -0.317 0.000 0.941 336 T HN 0.778 nan 8.240 nan 0.000 0.487 337 R N 2.453 122.874 120.500 -0.132 0.000 2.393 337 R HA 0.577 4.917 4.340 -0.000 0.000 0.315 337 R C -1.345 174.974 176.300 0.030 0.000 0.952 337 R CA -0.685 55.389 56.100 -0.045 0.000 0.842 337 R CB 1.242 31.525 30.300 -0.027 0.000 1.163 337 R HN 0.611 nan 8.270 nan 0.000 0.450 338 V N 5.545 125.487 119.914 0.048 0.000 2.567 338 V HA 0.306 4.426 4.120 -0.000 0.000 0.289 338 V C 0.269 176.422 176.094 0.099 0.000 1.049 338 V CA -0.599 61.754 62.300 0.090 0.000 0.969 338 V CB 1.456 33.369 31.823 0.150 0.000 0.995 338 V HN 0.792 nan 8.190 nan 0.000 0.471 339 M N 3.900 123.574 119.600 0.122 0.000 2.367 339 M HA 0.523 5.003 4.480 -0.000 0.000 0.339 339 M C -0.222 176.107 176.300 0.049 0.000 1.177 339 M CA 0.600 55.965 55.300 0.108 0.000 1.068 339 M CB 1.650 34.349 32.600 0.164 0.000 1.602 339 M HN 0.594 nan 8.290 nan 0.000 0.457 340 S N 2.387 118.079 115.700 -0.013 0.000 2.756 340 S HA 0.765 5.235 4.470 -0.000 0.000 0.303 340 S C -1.189 173.468 174.600 0.096 0.000 1.135 340 S CA -0.611 57.593 58.200 0.007 0.000 1.066 340 S CB 0.661 63.784 63.200 -0.128 0.000 1.008 340 S HN 0.848 nan 8.310 nan 0.000 0.482 341 S N 2.807 118.546 115.700 0.065 0.000 2.801 341 S HA 0.807 5.277 4.470 -0.000 0.000 0.312 341 S C -1.265 173.434 174.600 0.165 0.000 1.112 341 S CA -0.738 57.520 58.200 0.097 0.000 0.943 341 S CB 0.613 63.745 63.200 -0.114 0.000 1.269 341 S HN 0.766 nan 8.310 nan 0.000 0.558 342 Y N -0.879 119.487 120.300 0.110 0.000 2.570 342 Y HA 0.758 5.307 4.550 -0.000 0.000 0.345 342 Y C -0.451 175.446 175.900 -0.005 0.000 1.014 342 Y CA -1.431 56.618 58.100 -0.085 0.000 1.063 342 Y CB 0.737 38.999 38.460 -0.328 0.000 1.272 342 Y HN 0.371 nan 8.280 nan 0.000 0.477 343 R N 1.289 121.872 120.500 0.139 0.000 2.459 343 R HA 0.444 4.784 4.340 -0.000 0.000 0.281 343 R C -1.457 175.171 176.300 0.547 0.000 1.050 343 R CA -0.425 55.815 56.100 0.233 0.000 1.055 343 R CB 1.071 31.392 30.300 0.035 0.000 1.045 343 R HN 0.978 nan 8.270 nan 0.000 0.495 344 W N 1.574 123.140 121.300 0.443 0.000 3.029 344 W HA 0.501 5.161 4.660 -0.001 0.000 0.339 344 W C -2.591 174.076 176.519 0.248 0.000 1.198 344 W CA -2.557 54.960 57.345 0.287 0.000 1.148 344 W CB 0.223 29.832 29.460 0.248 0.000 1.451 344 W HN 0.290 nan 8.180 nan 0.000 0.564 345 P HA 0.161 nan 4.420 nan 0.000 0.252 345 P C -0.216 177.027 177.300 -0.094 0.000 1.727 345 P CA -0.035 63.069 63.100 0.008 0.000 1.134 345 P CB 0.266 31.997 31.700 0.053 0.000 1.876 346 R N 2.482 122.706 120.500 -0.460 0.000 2.538 346 R HA 0.075 4.415 4.340 -0.000 0.000 0.282 346 R C 0.512 176.636 176.300 -0.293 0.000 1.009 346 R CA 0.518 56.325 56.100 -0.488 0.000 1.063 346 R CB 0.400 30.155 30.300 -0.909 0.000 0.945 346 R HN 0.488 nan 8.270 nan 0.000 0.414 347 Q N 4.263 123.893 119.800 -0.283 0.000 2.786 347 Q HA 0.169 4.509 4.340 -0.000 0.000 0.240 347 Q C -1.487 174.410 176.000 -0.171 0.000 0.928 347 Q CA -0.399 55.323 55.803 -0.136 0.000 0.721 347 Q CB 0.770 29.489 28.738 -0.031 0.000 1.318 347 Q HN 0.417 nan 8.270 nan 0.000 0.474 348 F N 2.646 122.583 119.950 -0.023 0.000 2.444 348 F HA 0.144 4.671 4.527 -0.001 0.000 0.360 348 F C 1.680 177.485 175.800 0.009 0.000 1.106 348 F CA 0.186 58.183 58.000 -0.005 0.000 1.170 348 F CB 0.879 39.858 39.000 -0.035 0.000 1.113 348 F HN 0.370 nan 8.300 nan 0.000 0.521 349 Q N 2.389 122.287 119.800 0.164 0.000 1.994 349 Q HA 0.029 4.369 4.340 -0.000 0.000 0.197 349 Q C 0.219 176.286 176.000 0.111 0.000 0.981 349 Q CA 0.964 56.836 55.803 0.114 0.000 0.838 349 Q CB -0.177 28.613 28.738 0.086 0.000 0.904 349 Q HN 0.622 nan 8.270 nan 0.000 0.460 350 N N -0.349 118.416 118.700 0.107 0.000 2.908 350 N HA 0.279 5.019 4.740 -0.000 0.000 0.316 350 N C -0.247 175.322 175.510 0.099 0.000 1.619 350 N CA 0.241 53.340 53.050 0.082 0.000 1.045 350 N CB 0.881 39.403 38.487 0.058 0.000 1.357 350 N HN 0.483 nan 8.380 nan 0.000 0.501 351 G N 1.229 110.113 108.800 0.141 0.000 2.159 351 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.256 351 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.256 351 G C -0.261 174.828 174.900 0.314 0.000 0.977 351 G CA 0.295 45.481 45.100 0.145 0.000 0.652 351 G HN 0.654 nan 8.290 nan 0.000 0.531 352 N N -0.514 118.382 118.700 0.327 0.000 2.258 352 N HA 0.498 5.238 4.740 -0.000 0.000 0.299 352 N C -1.277 174.271 175.510 0.064 0.000 1.047 352 N CA -0.853 52.343 53.050 0.244 0.000 0.814 352 N CB 2.069 40.629 38.487 0.121 0.000 1.413 352 N HN -0.034 nan 8.380 nan 0.000 0.478 353 D N 1.999 122.262 120.400 -0.227 0.000 2.336 353 D HA 0.029 4.669 4.640 -0.000 0.000 0.249 353 D C 1.080 177.329 176.300 -0.084 0.000 1.213 353 D CA -0.724 52.982 54.000 -0.490 0.000 0.870 353 D CB 1.262 41.654 40.800 -0.679 0.000 1.076 353 D HN 0.488 nan 8.370 nan 0.000 0.483 354 V N 1.634 121.544 119.914 -0.007 0.000 3.573 354 V HA 0.162 4.281 4.120 -0.000 0.000 0.270 354 V C 0.631 176.873 176.094 0.245 0.000 1.221 354 V CA 0.342 62.732 62.300 0.150 0.000 1.163 354 V CB -0.494 31.420 31.823 0.152 0.000 0.847 354 V HN 0.339 nan 8.190 nan 0.000 0.468 355 N N 1.776 120.528 118.700 0.087 0.000 2.338 355 N HA 0.097 4.837 4.740 -0.000 0.000 0.251 355 N C 0.825 176.191 175.510 -0.240 0.000 1.199 355 N CA 0.677 53.655 53.050 -0.120 0.000 0.879 355 N CB 0.375 38.859 38.487 -0.005 0.000 1.159 355 N HN 0.776 nan 8.380 nan 0.000 0.514 356 D N -0.591 119.810 120.400 0.001 0.000 2.363 356 D HA -0.116 4.524 4.640 -0.000 0.000 0.220 356 D C 1.541 177.985 176.300 0.241 0.000 0.994 356 D CA 0.148 54.183 54.000 0.058 0.000 0.890 356 D CB -0.403 40.595 40.800 0.331 0.000 0.906 356 D HN 0.478 nan 8.370 nan 0.000 0.530 357 W N 0.802 122.300 121.300 0.331 0.000 2.812 357 W HA 0.283 4.942 4.660 -0.001 0.000 0.263 357 W C -0.177 176.415 176.519 0.123 0.000 1.284 357 W CA -0.580 56.936 57.345 0.284 0.000 1.430 357 W CB -0.717 28.911 29.460 0.281 0.000 1.088 357 W HN -0.313 nan 8.180 nan 0.000 0.623 358 V N 3.514 122.932 119.914 -0.827 0.000 2.678 358 V HA 0.062 4.181 4.120 -0.000 0.000 0.304 358 V C 1.451 177.533 176.094 -0.020 0.000 1.086 358 V CA 1.132 63.030 62.300 -0.669 0.000 1.246 358 V CB -0.577 30.903 31.823 -0.572 0.000 0.861 358 V HN 0.191 nan 8.190 nan 0.000 0.491 359 G N 6.647 115.442 108.800 -0.008 0.000 2.535 359 G HA2 0.485 4.444 3.960 -0.000 0.000 0.282 359 G HA3 0.485 4.444 3.960 -0.000 0.000 0.282 359 G C -2.348 172.278 174.900 -0.458 0.000 1.350 359 G CA -1.038 44.027 45.100 -0.058 0.000 1.039 359 G HN 0.651 nan 8.290 nan 0.000 0.509 360 P HA 0.175 nan 4.420 nan 0.000 0.270 360 P C -2.636 174.160 177.300 -0.840 0.000 1.223 360 P CA -1.004 61.276 63.100 -1.366 0.000 0.785 360 P CB -0.151 31.081 31.700 -0.780 0.000 0.923 361 P HA 0.019 nan 4.420 nan 0.000 0.261 361 P C -0.277 176.829 177.300 -0.322 0.000 1.173 361 P CA 0.769 63.518 63.100 -0.585 0.000 0.760 361 P CB -0.278 30.945 31.700 -0.795 0.000 0.783 362 N N 1.092 119.690 118.700 -0.170 0.000 2.934 362 N HA 0.385 5.125 4.740 -0.000 0.000 0.253 362 N C -1.492 174.009 175.510 -0.014 0.000 1.466 362 N CA -1.059 51.951 53.050 -0.066 0.000 0.858 362 N CB 1.135 39.608 38.487 -0.024 0.000 1.459 362 N HN 0.050 nan 8.380 nan 0.000 0.532 363 N N 0.080 118.791 118.700 0.018 0.000 2.682 363 N HA 0.360 5.099 4.740 -0.000 0.000 0.252 363 N C -1.280 174.269 175.510 0.066 0.000 1.081 363 N CA -0.636 52.430 53.050 0.026 0.000 0.844 363 N CB 0.524 39.019 38.487 0.013 0.000 1.167 363 N HN 0.569 nan 8.380 nan 0.000 0.523 364 N N 1.699 120.452 118.700 0.088 0.000 2.758 364 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 364 N C 0.944 176.657 175.510 0.338 0.000 1.076 364 N CA 1.526 54.666 53.050 0.150 0.000 0.696 364 N CB -1.255 37.285 38.487 0.088 0.000 0.979 364 N HN 0.965 nan 8.380 nan 0.000 0.550 365 G N -3.043 105.998 108.800 0.403 0.000 2.234 365 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.235 365 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.235 365 G C -0.041 174.882 174.900 0.039 0.000 0.997 365 G CA 0.118 45.341 45.100 0.204 0.000 0.623 365 G HN 0.559 nan 8.290 nan 0.000 0.514 366 V N 4.047 123.993 119.914 0.054 0.000 2.368 366 V HA 0.386 4.506 4.120 -0.000 0.000 0.266 366 V C 1.087 177.173 176.094 -0.014 0.000 1.045 366 V CA -1.100 61.204 62.300 0.006 0.000 0.899 366 V CB 1.005 32.839 31.823 0.017 0.000 1.006 366 V HN 0.290 nan 8.190 nan 0.000 0.470 367 I N 4.861 125.406 120.570 -0.042 0.000 2.826 367 I HA 0.003 4.172 4.170 -0.000 0.000 0.295 367 I C 0.951 177.078 176.117 0.016 0.000 1.213 367 I CA 0.371 61.654 61.300 -0.029 0.000 1.436 367 I CB -0.497 37.488 38.000 -0.025 0.000 1.348 367 I HN 0.609 nan 8.210 nan 0.000 0.570 368 K N 5.605 126.037 120.400 0.054 0.000 2.258 368 K HA 0.105 4.425 4.320 -0.000 0.000 0.264 368 K C 0.538 177.235 176.600 0.160 0.000 1.007 368 K CA -0.577 55.763 56.287 0.089 0.000 0.941 368 K CB 0.761 33.296 32.500 0.059 0.000 0.966 368 K HN 0.537 nan 8.250 nan 0.000 0.480 369 E N 1.156 121.381 120.200 0.043 0.000 2.373 369 E HA 0.072 4.422 4.350 -0.000 0.000 0.263 369 E C -0.455 176.044 176.600 -0.168 0.000 1.073 369 E CA -0.506 55.833 56.400 -0.102 0.000 0.894 369 E CB 0.708 30.353 29.700 -0.092 0.000 1.008 369 E HN 0.075 nan 8.360 nan 0.000 0.420 370 V N 2.979 122.554 119.914 -0.564 0.000 2.387 370 V HA 0.093 4.212 4.120 -0.000 0.000 0.260 370 V C 0.480 176.382 176.094 -0.319 0.000 1.054 370 V CA -0.098 61.752 62.300 -0.749 0.000 0.967 370 V CB 0.085 31.061 31.823 -1.412 0.000 1.036 370 V HN 0.778 nan 8.190 nan 0.000 0.481 371 T N 4.198 118.675 114.554 -0.128 0.000 2.837 371 T HA 0.644 4.994 4.350 -0.000 0.000 0.285 371 T C -0.476 174.198 174.700 -0.044 0.000 0.984 371 T CA -0.775 61.288 62.100 -0.062 0.000 1.049 371 T CB 1.376 70.237 68.868 -0.011 0.000 0.947 371 T HN 0.200 nan 8.240 nan 0.000 0.472 372 I N 3.543 124.092 120.570 -0.034 0.000 2.312 372 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 372 I C 0.307 176.424 176.117 0.000 0.000 1.008 372 I CA -1.175 60.114 61.300 -0.019 0.000 1.226 372 I CB 0.513 38.504 38.000 -0.015 0.000 1.371 372 I HN 0.669 nan 8.210 nan 0.000 0.468 373 N N 8.782 127.486 118.700 0.008 0.000 2.424 373 N HA 0.251 4.991 4.740 -0.000 0.000 0.257 373 N C -1.430 174.090 175.510 0.017 0.000 1.250 373 N CA -1.377 51.681 53.050 0.014 0.000 0.946 373 N CB 0.471 38.968 38.487 0.017 0.000 1.175 373 N HN 0.325 nan 8.380 nan 0.000 0.477 374 P HA -0.158 nan 4.420 nan 0.000 0.218 374 P C 0.124 177.439 177.300 0.026 0.000 1.146 374 P CA 1.396 64.509 63.100 0.021 0.000 0.813 374 P CB 0.114 31.824 31.700 0.017 0.000 0.778 375 D N -1.789 118.625 120.400 0.024 0.000 2.325 375 D HA -0.019 4.621 4.640 -0.000 0.000 0.225 375 D C 0.819 177.143 176.300 0.040 0.000 1.096 375 D CA 0.968 54.985 54.000 0.028 0.000 0.844 375 D CB -1.002 39.809 40.800 0.018 0.000 0.925 375 D HN 0.258 nan 8.370 nan 0.000 0.513 376 T N -4.440 110.137 114.554 0.037 0.000 6.424 376 T HA -0.287 4.063 4.350 -0.000 0.000 0.279 376 T C 0.658 175.359 174.700 0.002 0.000 2.176 376 T CA 1.417 63.538 62.100 0.034 0.000 3.628 376 T CB -3.032 65.884 68.868 0.079 0.000 1.165 376 T HN 0.579 nan 8.240 nan 0.000 1.080 377 T N -0.721 113.846 114.554 0.022 0.000 2.698 377 T HA 0.605 4.954 4.350 -0.000 0.000 0.295 377 T C 0.918 175.632 174.700 0.023 0.000 1.007 377 T CA -0.166 61.956 62.100 0.037 0.000 0.980 377 T CB 0.994 69.894 68.868 0.054 0.000 1.036 377 T HN 0.671 nan 8.240 nan 0.000 0.526 378 c N 0.062 118.694 118.600 0.054 0.000 2.401 378 c HA 0.927 5.496 4.570 -0.000 0.000 0.356 378 c C 1.203 175.343 174.090 0.083 0.000 1.192 378 c CA -0.223 56.141 56.329 0.060 0.000 2.028 378 c CB 0.987 43.559 42.510 0.103 0.000 2.344 378 c HN 1.223 nan 8.230 nan 0.000 0.525 379 G N 0.079 108.932 108.800 0.090 0.000 3.108 379 G HA2 0.519 4.479 3.960 -0.000 0.000 0.268 379 G HA3 0.519 4.479 3.960 -0.000 0.000 0.268 379 G C -0.250 174.733 174.900 0.137 0.000 1.361 379 G CA -0.210 44.938 45.100 0.081 0.000 1.047 379 G HN 0.695 nan 8.290 nan 0.000 0.540 380 N N -0.243 118.494 118.700 0.062 0.000 2.782 380 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 380 N C 0.182 175.578 175.510 -0.190 0.000 1.101 380 N CA 1.408 54.464 53.050 0.010 0.000 0.764 380 N CB -0.540 38.032 38.487 0.142 0.000 1.122 380 N HN 0.667 nan 8.380 nan 0.000 0.561 381 D N -4.125 116.193 120.400 -0.137 0.000 2.876 381 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 381 D C -0.492 175.654 176.300 -0.256 0.000 1.014 381 D CA 1.098 54.973 54.000 -0.208 0.000 1.012 381 D CB -1.500 39.135 40.800 -0.276 0.000 1.080 381 D HN 0.521 nan 8.370 nan 0.000 0.438 382 W N 0.817 122.095 121.300 -0.037 0.000 2.311 382 W HA 0.391 5.051 4.660 -0.000 0.000 0.310 382 W C 1.750 178.250 176.519 -0.032 0.000 1.274 382 W CA -0.876 56.461 57.345 -0.014 0.000 1.215 382 W CB 0.637 30.045 29.460 -0.087 0.000 1.227 382 W HN -0.269 nan 8.180 nan 0.000 0.523 383 V N 2.257 122.224 119.914 0.087 0.000 2.379 383 V HA -0.238 3.881 4.120 -0.000 0.000 0.245 383 V C 1.237 177.366 176.094 0.058 0.000 1.044 383 V CA 0.485 62.733 62.300 -0.086 0.000 1.036 383 V CB -0.962 30.497 31.823 -0.605 0.000 0.664 383 V HN 0.864 nan 8.190 nan 0.000 0.453 384 c N 1.195 119.864 118.600 0.116 0.000 3.896 384 c HA -0.152 4.417 4.570 -0.000 0.000 0.300 384 c C 1.669 175.588 174.090 -0.286 0.000 1.322 384 c CA 0.508 56.865 56.329 0.047 0.000 2.130 384 c CB -2.521 39.996 42.510 0.011 0.000 1.363 384 c HN 0.687 nan 8.230 nan 0.000 0.642 385 E N 0.436 120.360 120.200 -0.460 0.000 2.160 385 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 385 E C 1.955 178.252 176.600 -0.505 0.000 0.991 385 E CA 1.648 57.394 56.400 -1.089 0.000 0.810 385 E CB -0.147 29.109 29.700 -0.741 0.000 0.742 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N -0.137 118.799 119.070 -0.222 0.000 2.545 386 H HA 0.088 4.643 4.556 -0.000 0.000 0.282 386 H C 1.274 176.678 175.328 0.127 0.000 1.020 386 H CA 0.848 56.896 56.048 -0.000 0.000 1.243 386 H CB -0.007 29.673 29.762 -0.138 0.000 1.377 386 H HN 0.093 nan 8.280 nan 0.000 0.581 387 R N -0.611 119.638 120.500 -0.419 0.000 2.312 387 R HA 0.050 4.389 4.340 -0.000 0.000 0.205 387 R C -0.190 176.254 176.300 0.239 0.000 0.904 387 R CA -0.434 55.545 56.100 -0.202 0.000 1.052 387 R CB 0.255 30.265 30.300 -0.484 0.000 1.014 387 R HN 0.105 nan 8.270 nan 0.000 0.503 388 W N 2.170 123.495 121.300 0.042 0.000 2.322 388 W HA 0.089 4.748 4.660 -0.001 0.000 0.328 388 W C 1.592 178.184 176.519 0.123 0.000 1.395 388 W CA -0.865 56.532 57.345 0.085 0.000 1.267 388 W CB -0.049 29.480 29.460 0.115 0.000 1.259 388 W HN 0.096 nan 8.180 nan 0.000 0.560 389 R N 1.886 122.561 120.500 0.292 0.000 2.113 389 R HA -0.314 4.026 4.340 -0.000 0.000 0.244 389 R C 1.722 178.140 176.300 0.197 0.000 1.142 389 R CA 2.560 58.782 56.100 0.204 0.000 0.953 389 R CB -0.018 30.349 30.300 0.112 0.000 0.860 389 R HN 0.495 nan 8.270 nan 0.000 0.438 390 Q N 0.047 119.970 119.800 0.205 0.000 2.135 390 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 390 Q C 2.023 178.167 176.000 0.240 0.000 0.981 390 Q CA 1.863 57.776 55.803 0.183 0.000 0.856 390 Q CB -0.054 28.818 28.738 0.224 0.000 0.902 390 Q HN 0.491 nan 8.270 nan 0.000 0.425 391 I N -0.396 120.358 120.570 0.307 0.000 2.339 391 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 391 I C 2.494 178.748 176.117 0.227 0.000 1.096 391 I CA 0.503 61.950 61.300 0.246 0.000 1.408 391 I CB -0.291 37.847 38.000 0.230 0.000 1.092 391 I HN 0.151 nan 8.210 nan 0.000 0.423 392 R N 1.631 122.308 120.500 0.296 0.000 2.091 392 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 392 R C 1.766 178.157 176.300 0.150 0.000 1.136 392 R CA 1.843 58.130 56.100 0.311 0.000 0.959 392 R CB -0.362 30.183 30.300 0.408 0.000 0.856 392 R HN 0.322 nan 8.270 nan 0.000 0.437 393 N N 0.027 118.820 118.700 0.154 0.000 2.331 393 N HA -0.086 4.654 4.740 -0.000 0.000 0.180 393 N C 1.536 177.128 175.510 0.137 0.000 1.019 393 N CA 0.943 54.075 53.050 0.136 0.000 0.881 393 N CB -0.077 38.491 38.487 0.136 0.000 0.972 393 N HN 0.201 nan 8.380 nan 0.000 0.435 394 M N -0.177 119.488 119.600 0.107 0.000 2.349 394 M HA 0.063 4.543 4.480 -0.000 0.000 0.266 394 M C 1.836 178.165 176.300 0.047 0.000 1.076 394 M CA 0.365 55.711 55.300 0.077 0.000 1.126 394 M CB -0.589 32.034 32.600 0.039 0.000 1.392 394 M HN -0.120 nan 8.290 nan 0.000 0.440 395 V N 0.454 120.345 119.914 -0.038 0.000 2.343 395 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 395 V C 2.286 178.259 176.094 -0.201 0.000 1.051 395 V CA 1.528 63.704 62.300 -0.206 0.000 1.036 395 V CB -0.456 31.055 31.823 -0.520 0.000 0.654 395 V HN 0.332 nan 8.190 nan 0.000 0.451 396 I N -1.113 119.373 120.570 -0.140 0.000 2.353 396 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 396 I C 2.223 178.231 176.117 -0.182 0.000 1.119 396 I CA 1.421 62.633 61.300 -0.148 0.000 1.417 396 I CB -0.361 37.591 38.000 -0.080 0.000 1.078 396 I HN 0.318 nan 8.210 nan 0.000 0.421 397 F N 1.734 121.524 119.950 -0.267 0.000 2.126 397 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 397 F C 2.655 178.322 175.800 -0.223 0.000 1.096 397 F CA 1.722 59.529 58.000 -0.322 0.000 1.255 397 F CB -0.294 38.651 39.000 -0.091 0.000 0.997 397 F HN -0.142 nan 8.300 nan 0.000 0.479 398 R N 0.142 120.740 120.500 0.162 0.000 2.092 398 R HA -0.157 4.183 4.340 -0.000 0.000 0.231 398 R C 2.000 178.251 176.300 -0.082 0.000 1.119 398 R CA 1.557 57.700 56.100 0.072 0.000 0.970 398 R CB -0.308 30.000 30.300 0.012 0.000 0.864 398 R HN 0.275 nan 8.270 nan 0.000 0.440 399 N N -0.011 118.607 118.700 -0.136 0.000 2.120 399 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 399 N C 1.721 177.133 175.510 -0.163 0.000 1.024 399 N CA 1.285 54.249 53.050 -0.143 0.000 0.852 399 N CB -0.320 38.076 38.487 -0.152 0.000 1.003 399 N HN 0.033 nan 8.380 nan 0.000 0.424 400 V N 0.891 120.652 119.914 -0.255 0.000 2.515 400 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 400 V C 2.023 177.972 176.094 -0.243 0.000 1.058 400 V CA 1.427 63.562 62.300 -0.276 0.000 1.064 400 V CB -0.456 31.087 31.823 -0.467 0.000 0.675 400 V HN 0.311 nan 8.190 nan 0.000 0.461 401 V N -2.197 117.547 119.914 -0.284 0.000 3.596 401 V HA 0.267 4.387 4.120 -0.000 0.000 0.289 401 V C 0.608 176.651 176.094 -0.085 0.000 1.336 401 V CA -0.236 61.944 62.300 -0.199 0.000 1.137 401 V CB -0.309 31.351 31.823 -0.272 0.000 0.966 401 V HN 0.445 nan 8.190 nan 0.000 0.428 402 D N 1.796 122.149 120.400 -0.079 0.000 2.502 402 D HA 0.367 5.007 4.640 -0.000 0.000 0.249 402 D C 1.451 177.737 176.300 -0.024 0.000 1.188 402 D CA 2.081 56.057 54.000 -0.040 0.000 0.890 402 D CB 0.256 41.029 40.800 -0.045 0.000 1.140 402 D HN 0.645 nan 8.370 nan 0.000 0.505 403 G N 3.305 112.102 108.800 -0.005 0.000 2.232 403 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.226 403 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.226 403 G C 0.191 175.100 174.900 0.014 0.000 0.996 403 G CA -0.114 44.988 45.100 0.002 0.000 0.626 403 G HN 0.577 nan 8.290 nan 0.000 0.509 404 Q N 1.825 121.636 119.800 0.017 0.000 2.327 404 Q HA 0.401 4.741 4.340 -0.000 0.000 0.254 404 Q C -1.941 174.100 176.000 0.068 0.000 0.952 404 Q CA -1.287 54.538 55.803 0.036 0.000 0.884 404 Q CB 1.334 30.087 28.738 0.026 0.000 1.224 404 Q HN 0.416 nan 8.270 nan 0.000 0.422 405 P HA 0.115 nan 4.420 nan 0.000 0.274 405 P C -0.755 176.651 177.300 0.176 0.000 1.256 405 P CA -0.399 62.770 63.100 0.114 0.000 0.795 405 P CB 0.490 32.249 31.700 0.099 0.000 1.038 406 F N 1.685 121.644 119.950 0.015 0.000 2.421 406 F HA 0.389 4.916 4.527 -0.000 0.000 0.358 406 F C 0.109 175.971 175.800 0.103 0.000 1.115 406 F CA 0.665 58.675 58.000 0.018 0.000 1.160 406 F CB 0.354 39.263 39.000 -0.152 0.000 1.123 406 F HN 0.401 nan 8.300 nan 0.000 0.508 407 T N 1.438 115.874 114.554 -0.198 0.000 2.671 407 T HA 0.298 4.648 4.350 -0.000 0.000 0.300 407 T C -0.444 174.246 174.700 -0.017 0.000 1.238 407 T CA -1.210 60.854 62.100 -0.061 0.000 1.020 407 T CB 1.222 70.131 68.868 0.068 0.000 1.503 407 T HN 0.490 nan 8.240 nan 0.000 0.497 408 N N 0.591 119.364 118.700 0.121 0.000 2.725 408 N HA -0.130 4.609 4.740 -0.000 0.000 0.251 408 N C -0.493 175.180 175.510 0.271 0.000 1.031 408 N CA 0.623 53.806 53.050 0.221 0.000 0.720 408 N CB -0.802 37.860 38.487 0.292 0.000 0.930 408 N HN 0.729 nan 8.380 nan 0.000 0.543 409 W N 1.017 122.350 121.300 0.054 0.000 2.190 409 W HA 0.337 4.996 4.660 -0.000 0.000 0.330 409 W C -0.472 176.191 176.519 0.240 0.000 1.299 409 W CA -0.153 57.257 57.345 0.108 0.000 1.215 409 W CB 0.328 29.844 29.460 0.094 0.000 1.147 409 W HN 0.224 nan 8.180 nan 0.000 0.563 410 Y N 5.138 124.999 120.300 -0.731 0.000 2.504 410 Y HA 0.388 4.938 4.550 -0.000 0.000 0.344 410 Y C -1.654 173.806 175.900 -0.733 0.000 1.023 410 Y CA -0.859 56.960 58.100 -0.468 0.000 1.020 410 Y CB 1.441 39.819 38.460 -0.135 0.000 1.282 410 Y HN 0.536 nan 8.280 nan 0.000 0.454 411 D N 2.074 121.561 120.400 -1.522 0.000 2.717 411 D HA 0.192 4.832 4.640 -0.000 0.000 0.223 411 D C -1.189 174.609 176.300 -0.837 0.000 1.240 411 D CA -0.811 52.607 54.000 -0.969 0.000 0.801 411 D CB 1.000 41.669 40.800 -0.217 0.000 1.556 411 D HN 0.453 nan 8.370 nan 0.000 0.462 412 N N 1.311 119.805 118.700 -0.343 0.000 2.295 412 N HA 0.190 4.930 4.740 -0.000 0.000 0.221 412 N C 1.360 176.902 175.510 0.053 0.000 1.129 412 N CA 0.227 53.267 53.050 -0.017 0.000 0.836 412 N CB 0.232 38.867 38.487 0.247 0.000 1.040 412 N HN 1.047 nan 8.380 nan 0.000 0.494 413 G N -1.530 107.277 108.800 0.011 0.000 2.189 413 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.267 413 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.267 413 G C 0.383 175.305 174.900 0.036 0.000 0.975 413 G CA 0.760 45.894 45.100 0.058 0.000 0.644 413 G HN 0.638 nan 8.290 nan 0.000 0.537 414 S N -0.921 114.793 115.700 0.023 0.000 3.894 414 S HA 0.435 4.905 4.470 -0.000 0.000 0.189 414 S C 0.855 175.385 174.600 -0.118 0.000 1.096 414 S CA 0.667 58.861 58.200 -0.010 0.000 1.481 414 S CB 0.189 63.472 63.200 0.140 0.000 1.321 414 S HN 0.309 nan 8.310 nan 0.000 0.828 415 N N 0.619 119.223 118.700 -0.159 0.000 2.351 415 N HA 0.356 5.096 4.740 -0.000 0.000 0.254 415 N C -1.284 174.102 175.510 -0.207 0.000 1.241 415 N CA -0.033 52.888 53.050 -0.216 0.000 0.883 415 N CB 1.181 39.511 38.487 -0.263 0.000 1.202 415 N HN 0.243 nan 8.380 nan 0.000 0.512 416 Q N 1.621 121.340 119.800 -0.136 0.000 2.413 416 Q HA 0.402 4.742 4.340 -0.000 0.000 0.258 416 Q C -0.963 174.970 176.000 -0.112 0.000 1.037 416 Q CA -0.670 55.074 55.803 -0.099 0.000 0.764 416 Q CB 1.869 30.677 28.738 0.116 0.000 1.217 416 Q HN 0.154 nan 8.270 nan 0.000 0.490 417 V N -1.053 118.750 119.914 -0.185 0.000 3.074 417 V HA 1.068 5.188 4.120 -0.000 0.000 0.314 417 V C -1.079 174.857 176.094 -0.264 0.000 1.117 417 V CA -0.826 61.271 62.300 -0.338 0.000 1.014 417 V CB 1.984 33.560 31.823 -0.411 0.000 1.057 417 V HN 0.641 nan 8.190 nan 0.000 0.438 418 A N 2.325 124.892 122.820 -0.420 0.000 2.604 418 A HA 1.003 5.323 4.320 -0.000 0.000 0.295 418 A C -1.194 176.159 177.584 -0.385 0.000 1.067 418 A CA -0.246 51.522 52.037 -0.449 0.000 0.683 418 A CB 1.673 20.433 19.000 -0.399 0.000 1.281 418 A HN 2.385 nan 8.150 nan 0.000 0.407 419 F N -0.861 118.671 119.950 -0.696 0.000 2.741 419 F HA 0.852 5.379 4.527 -0.000 0.000 0.311 419 F C -0.059 175.359 175.800 -0.636 0.000 1.149 419 F CA -0.320 57.384 58.000 -0.494 0.000 0.930 419 F CB 0.808 39.648 39.000 -0.267 0.000 1.312 419 F HN 1.102 nan 8.300 nan 0.000 0.450 420 G N 0.562 109.368 108.800 0.010 0.000 2.685 420 G HA2 0.677 4.637 3.960 -0.000 0.000 0.298 420 G HA3 0.677 4.637 3.960 -0.000 0.000 0.298 420 G C -1.553 173.482 174.900 0.225 0.000 1.277 420 G CA -1.323 43.872 45.100 0.158 0.000 0.986 420 G HN 0.598 nan 8.290 nan 0.000 0.487 421 R N 0.435 121.054 120.500 0.197 0.000 2.363 421 R HA 0.477 4.816 4.340 -0.000 0.000 0.297 421 R C 0.883 177.239 176.300 0.092 0.000 1.208 421 R CA 0.103 56.301 56.100 0.163 0.000 1.121 421 R CB 0.341 30.732 30.300 0.152 0.000 1.124 421 R HN 1.268 nan 8.270 nan 0.000 0.561 422 G N 3.571 112.428 108.800 0.094 0.000 2.611 422 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.301 422 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.301 422 G C 0.283 175.219 174.900 0.061 0.000 1.233 422 G CA 0.700 45.840 45.100 0.066 0.000 0.993 422 G HN 0.650 nan 8.290 nan 0.000 0.553 423 N N 0.522 119.245 118.700 0.039 0.000 2.282 423 N HA 0.222 4.961 4.740 -0.000 0.000 0.240 423 N C 1.288 176.812 175.510 0.024 0.000 1.182 423 N CA 0.079 53.149 53.050 0.033 0.000 0.874 423 N CB 0.505 39.011 38.487 0.032 0.000 1.126 423 N HN 0.589 nan 8.380 nan 0.000 0.516 424 R N -0.566 119.936 120.500 0.002 0.000 2.373 424 R HA 0.366 4.706 4.340 -0.000 0.000 0.221 424 R C 0.318 176.568 176.300 -0.083 0.000 0.893 424 R CA 0.395 56.477 56.100 -0.030 0.000 1.049 424 R CB 1.195 31.453 30.300 -0.071 0.000 1.119 424 R HN 0.265 nan 8.270 nan 0.000 0.535 425 G N 0.541 109.302 108.800 -0.065 0.000 2.673 425 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 425 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 425 G C -2.074 172.934 174.900 0.179 0.000 1.450 425 G CA -0.433 44.622 45.100 -0.075 0.000 0.837 425 G HN -0.001 nan 8.290 nan 0.000 0.505 426 F N 0.435 120.423 119.950 0.063 0.000 2.608 426 F HA 0.797 5.323 4.527 -0.000 0.000 0.309 426 F C -1.082 174.638 175.800 -0.133 0.000 1.103 426 F CA -0.963 57.004 58.000 -0.056 0.000 0.954 426 F CB 2.124 41.058 39.000 -0.110 0.000 1.267 426 F HN 0.519 nan 8.300 nan 0.000 0.444 427 I N 5.446 125.411 120.570 -1.009 0.000 2.686 427 I HA 0.745 4.915 4.170 -0.000 0.000 0.295 427 I C -1.826 173.560 176.117 -1.220 0.000 1.114 427 I CA -0.690 60.026 61.300 -0.973 0.000 1.038 427 I CB 1.924 39.318 38.000 -1.011 0.000 1.238 427 I HN 0.364 nan 8.210 nan 0.000 0.420 428 V N 6.913 126.208 119.914 -1.032 0.000 2.656 428 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 428 V C -1.001 174.583 176.094 -0.850 0.000 1.051 428 V CA -0.530 61.224 62.300 -0.909 0.000 0.893 428 V CB 1.852 33.128 31.823 -0.912 0.000 0.999 428 V HN 0.500 nan 8.190 nan 0.000 0.426 429 F N 2.263 121.950 119.950 -0.438 0.000 2.551 429 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 429 F C 0.087 175.653 175.800 -0.391 0.000 1.089 429 F CA -0.618 57.201 58.000 -0.303 0.000 0.915 429 F CB 2.109 40.957 39.000 -0.254 0.000 1.186 429 F HN 0.456 nan 8.300 nan 0.000 0.456 430 N N 1.794 120.444 118.700 -0.084 0.000 2.576 430 N HA 0.201 4.940 4.740 -0.000 0.000 0.269 430 N C -0.974 174.458 175.510 -0.129 0.000 1.058 430 N CA -0.247 52.708 53.050 -0.159 0.000 0.860 430 N CB 0.567 38.980 38.487 -0.123 0.000 1.249 430 N HN 0.555 nan 8.380 nan 0.000 0.525 431 N N 1.767 120.350 118.700 -0.194 0.000 2.235 431 N HA 0.172 4.912 4.740 -0.000 0.000 0.231 431 N C -1.017 174.325 175.510 -0.281 0.000 1.177 431 N CA -0.153 52.775 53.050 -0.202 0.000 0.874 431 N CB 0.370 38.727 38.487 -0.216 0.000 1.097 431 N HN 0.498 nan 8.380 nan 0.000 0.518 432 D N -0.443 119.695 120.400 -0.436 0.000 2.340 432 D HA 0.134 4.774 4.640 -0.000 0.000 0.251 432 D C -0.062 175.916 176.300 -0.536 0.000 1.080 432 D CA -0.139 53.410 54.000 -0.751 0.000 0.971 432 D CB 0.959 40.800 40.800 -1.599 0.000 1.137 432 D HN 0.050 nan 8.370 nan 0.000 0.475 433 D N 0.743 120.921 120.400 -0.370 0.000 2.352 433 D HA 0.113 4.753 4.640 -0.000 0.000 0.236 433 D C -0.077 176.376 176.300 0.256 0.000 1.148 433 D CA 0.030 54.048 54.000 0.031 0.000 0.844 433 D CB -0.083 40.820 40.800 0.171 0.000 0.933 433 D HN 0.324 nan 8.370 nan 0.000 0.507 434 W N -1.327 120.010 121.300 0.061 0.000 3.047 434 W HA 0.558 5.217 4.660 -0.001 0.000 0.341 434 W C -0.379 176.199 176.519 0.098 0.000 1.225 434 W CA -1.025 56.362 57.345 0.069 0.000 1.150 434 W CB 0.104 29.601 29.460 0.063 0.000 1.470 434 W HN -0.437 nan 8.180 nan 0.000 0.578 435 S N 1.079 116.988 115.700 0.348 0.000 2.603 435 S HA 0.446 4.916 4.470 -0.000 0.000 0.268 435 S C -1.258 173.537 174.600 0.326 0.000 1.317 435 S CA -0.348 58.003 58.200 0.251 0.000 1.012 435 S CB 0.417 63.738 63.200 0.202 0.000 0.926 435 S HN 0.402 nan 8.310 nan 0.000 0.539 436 F N 1.703 121.717 119.950 0.106 0.000 2.493 436 F HA 0.579 5.106 4.527 -0.000 0.000 0.329 436 F C -0.171 175.676 175.800 0.080 0.000 1.126 436 F CA -0.281 57.777 58.000 0.097 0.000 0.937 436 F CB 1.394 40.416 39.000 0.035 0.000 1.146 436 F HN 0.422 nan 8.300 nan 0.000 0.442 437 S N 7.584 122.946 115.700 -0.563 0.000 2.609 437 S HA 0.733 5.203 4.470 -0.000 0.000 0.250 437 S C -1.950 172.283 174.600 -0.611 0.000 1.112 437 S CA -0.410 57.545 58.200 -0.408 0.000 1.102 437 S CB 0.462 63.665 63.200 0.005 0.000 1.124 437 S HN 0.802 nan 8.310 nan 0.000 0.460 438 L N 3.109 123.779 121.223 -0.921 0.000 2.622 438 L HA 0.615 4.955 4.340 -0.000 0.000 0.258 438 L C -0.667 175.946 176.870 -0.429 0.000 0.996 438 L CA -0.120 54.368 54.840 -0.587 0.000 0.858 438 L CB 2.323 43.980 42.059 -0.670 0.000 1.449 438 L HN 0.499 nan 8.230 nan 0.000 0.411 439 T N 3.687 118.162 114.554 -0.131 0.000 2.728 439 T HA 0.625 4.974 4.350 -0.000 0.000 0.296 439 T C -0.659 174.027 174.700 -0.024 0.000 0.940 439 T CA -0.166 61.930 62.100 -0.007 0.000 1.013 439 T CB 0.283 69.191 68.868 0.066 0.000 0.912 439 T HN 0.169 nan 8.240 nan 0.000 0.484 440 L N 3.019 124.279 121.223 0.061 0.000 2.322 440 L HA 0.553 4.893 4.340 -0.000 0.000 0.269 440 L C 0.119 176.954 176.870 -0.059 0.000 1.012 440 L CA -1.042 53.802 54.840 0.007 0.000 0.815 440 L CB 1.560 43.663 42.059 0.074 0.000 1.295 440 L HN 0.492 nan 8.230 nan 0.000 0.438 441 Q N -0.055 119.693 119.800 -0.087 0.000 2.294 441 Q HA 0.296 4.636 4.340 -0.000 0.000 0.257 441 Q C 0.593 176.366 176.000 -0.379 0.000 0.955 441 Q CA 0.435 56.154 55.803 -0.139 0.000 0.936 441 Q CB 1.072 29.792 28.738 -0.030 0.000 1.188 441 Q HN 0.757 nan 8.270 nan 0.000 0.420 442 T N 0.251 114.482 114.554 -0.537 0.000 3.014 442 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 442 T C 1.291 175.800 174.700 -0.319 0.000 1.060 442 T CA 0.387 61.916 62.100 -0.953 0.000 1.040 442 T CB -0.085 68.260 68.868 -0.871 0.000 0.971 442 T HN 1.038 nan 8.240 nan 0.000 0.497 443 G N 1.295 109.999 108.800 -0.161 0.000 2.168 443 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.263 443 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.263 443 G C -0.164 174.714 174.900 -0.037 0.000 0.977 443 G CA 0.312 45.385 45.100 -0.046 0.000 0.659 443 G HN 0.542 nan 8.290 nan 0.000 0.533 444 L N 0.780 121.948 121.223 -0.091 0.000 2.379 444 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 444 L C -1.628 175.255 176.870 0.022 0.000 1.084 444 L CA -2.582 52.222 54.840 -0.060 0.000 0.802 444 L CB 0.653 42.578 42.059 -0.223 0.000 1.175 444 L HN -0.122 nan 8.230 nan 0.000 0.448 445 P HA 0.203 nan 4.420 nan 0.000 0.271 445 P C -0.817 176.592 177.300 0.181 0.000 1.218 445 P CA -0.505 62.668 63.100 0.122 0.000 0.780 445 P CB 0.445 32.215 31.700 0.116 0.000 0.901 446 A N 1.959 124.842 122.820 0.105 0.000 2.507 446 A HA 0.502 4.822 4.320 -0.000 0.000 0.235 446 A C 0.839 178.480 177.584 0.095 0.000 1.070 446 A CA 1.191 53.289 52.037 0.102 0.000 0.768 446 A CB -1.017 18.012 19.000 0.048 0.000 1.011 446 A HN 0.831 nan 8.150 nan 0.000 0.502 447 G N -0.549 108.310 108.800 0.097 0.000 2.369 447 G HA2 0.417 4.377 3.960 -0.000 0.000 0.295 447 G HA3 0.417 4.377 3.960 -0.000 0.000 0.295 447 G C -0.685 174.208 174.900 -0.012 0.000 1.298 447 G CA -0.238 44.843 45.100 -0.032 0.000 0.940 447 G HN 1.069 nan 8.290 nan 0.000 0.536 448 T N 1.037 115.498 114.554 -0.154 0.000 2.749 448 T HA 0.639 4.989 4.350 -0.000 0.000 0.287 448 T C -1.081 173.433 174.700 -0.310 0.000 0.970 448 T CA 0.158 62.168 62.100 -0.151 0.000 0.980 448 T CB 0.676 69.492 68.868 -0.087 0.000 0.924 448 T HN 0.399 nan 8.240 nan 0.000 0.456 449 Y N 0.577 120.748 120.300 -0.216 0.000 2.429 449 Y HA 0.434 4.984 4.550 -0.000 0.000 0.342 449 Y C 0.407 176.185 175.900 -0.204 0.000 1.004 449 Y CA -1.129 56.863 58.100 -0.179 0.000 1.075 449 Y CB 1.088 39.466 38.460 -0.137 0.000 1.214 449 Y HN 0.570 nan 8.280 nan 0.000 0.455 450 c N 2.216 120.802 118.600 -0.024 0.000 2.435 450 c HA 0.173 4.743 4.570 -0.000 0.000 0.375 450 c C 0.254 174.311 174.090 -0.054 0.000 1.281 450 c CA -0.783 55.506 56.329 -0.067 0.000 1.963 450 c CB -0.436 42.028 42.510 -0.075 0.000 2.490 450 c HN 0.762 nan 8.230 nan 0.000 0.557 451 D N 1.826 122.190 120.400 -0.060 0.000 2.358 451 D HA 0.120 4.760 4.640 -0.000 0.000 0.258 451 D C 1.066 177.325 176.300 -0.068 0.000 1.223 451 D CA -0.231 53.733 54.000 -0.059 0.000 0.886 451 D CB 0.960 41.718 40.800 -0.070 0.000 1.120 451 D HN 0.446 nan 8.370 nan 0.000 0.482 452 V N 2.627 122.509 119.914 -0.052 0.000 3.380 452 V HA -0.030 4.090 4.120 -0.000 0.000 0.268 452 V C 1.548 177.605 176.094 -0.061 0.000 1.168 452 V CA 0.401 62.692 62.300 -0.015 0.000 1.156 452 V CB -0.655 31.226 31.823 0.096 0.000 0.785 452 V HN 0.502 nan 8.190 nan 0.000 0.487 453 I N 2.241 122.708 120.570 -0.172 0.000 2.385 453 I HA -0.030 4.139 4.170 -0.000 0.000 0.244 453 I C 2.802 178.806 176.117 -0.188 0.000 1.089 453 I CA 1.951 63.082 61.300 -0.282 0.000 1.410 453 I CB -1.225 36.379 38.000 -0.659 0.000 1.117 453 I HN 0.579 nan 8.210 nan 0.000 0.429 454 S N -0.179 115.422 115.700 -0.165 0.000 2.470 454 S HA 0.206 4.676 4.470 -0.000 0.000 0.225 454 S C 1.117 175.680 174.600 -0.062 0.000 1.006 454 S CA 0.501 58.638 58.200 -0.104 0.000 0.934 454 S CB -0.186 62.959 63.200 -0.091 0.000 0.778 454 S HN 0.426 nan 8.310 nan 0.000 0.517 455 G N -0.327 108.440 108.800 -0.055 0.000 2.947 455 G HA2 0.593 4.553 3.960 -0.000 0.000 0.293 455 G HA3 0.593 4.553 3.960 -0.000 0.000 0.293 455 G C -2.085 172.806 174.900 -0.014 0.000 1.243 455 G CA -0.559 44.523 45.100 -0.030 0.000 0.802 455 G HN 0.205 nan 8.290 nan 0.000 0.560 456 D N -0.498 119.897 120.400 -0.009 0.000 2.596 456 D HA 0.305 4.945 4.640 -0.000 0.000 0.234 456 D C -1.006 175.287 176.300 -0.011 0.000 1.181 456 D CA -0.574 53.428 54.000 0.003 0.000 0.856 456 D CB 2.612 43.425 40.800 0.021 0.000 1.498 456 D HN 0.152 nan 8.370 nan 0.000 0.446 457 K N 1.943 122.337 120.400 -0.010 0.000 2.231 457 K HA 0.397 4.717 4.320 -0.000 0.000 0.275 457 K C -0.896 175.698 176.600 -0.010 0.000 1.105 457 K CA -0.281 55.993 56.287 -0.023 0.000 0.931 457 K CB -0.268 32.211 32.500 -0.034 0.000 1.296 457 K HN 0.434 nan 8.250 nan 0.000 0.446 458 I N 4.488 125.051 120.570 -0.011 0.000 2.439 458 I HA 0.122 4.292 4.170 -0.000 0.000 0.285 458 I C -0.386 175.726 176.117 -0.008 0.000 1.021 458 I CA -0.513 60.785 61.300 -0.004 0.000 1.091 458 I CB 1.176 39.178 38.000 0.003 0.000 1.242 458 I HN 0.609 nan 8.210 nan 0.000 0.439 459 N N 4.854 123.549 118.700 -0.008 0.000 2.758 459 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 459 N C 0.691 176.191 175.510 -0.016 0.000 1.076 459 N CA 1.168 54.212 53.050 -0.010 0.000 0.696 459 N CB -1.464 37.020 38.487 -0.006 0.000 0.979 459 N HN 1.128 nan 8.380 nan 0.000 0.550 460 G N -1.238 107.548 108.800 -0.023 0.000 2.198 460 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 460 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 460 G C -0.165 174.716 174.900 -0.032 0.000 1.025 460 G CA 0.531 45.613 45.100 -0.031 0.000 0.769 460 G HN 0.669 nan 8.290 nan 0.000 0.507 461 N N -1.653 117.028 118.700 -0.031 0.000 2.708 461 N HA 0.542 5.282 4.740 -0.000 0.000 0.257 461 N C -0.661 174.828 175.510 -0.034 0.000 1.373 461 N CA 0.032 53.064 53.050 -0.029 0.000 0.843 461 N CB 1.570 40.047 38.487 -0.018 0.000 1.503 461 N HN 0.174 nan 8.380 nan 0.000 0.504 462 c N 0.262 118.839 118.600 -0.037 0.000 2.376 462 c HA 0.482 5.051 4.570 -0.000 0.000 0.335 462 c C 1.939 176.012 174.090 -0.028 0.000 1.229 462 c CA -0.559 55.746 56.329 -0.041 0.000 1.867 462 c CB 0.702 43.176 42.510 -0.061 0.000 2.319 462 c HN 0.856 nan 8.230 nan 0.000 0.515 463 T N -0.900 113.641 114.554 -0.023 0.000 3.081 463 T HA 0.312 4.662 4.350 -0.000 0.000 0.250 463 T C 0.800 175.488 174.700 -0.020 0.000 1.100 463 T CA 0.695 62.786 62.100 -0.016 0.000 1.038 463 T CB 0.110 68.973 68.868 -0.008 0.000 0.962 463 T HN 0.887 nan 8.240 nan 0.000 0.516 464 G N 0.778 109.560 108.800 -0.030 0.000 3.252 464 G HA2 0.661 4.620 3.960 -0.000 0.000 0.181 464 G HA3 0.661 4.620 3.960 -0.000 0.000 0.181 464 G C -0.700 174.175 174.900 -0.041 0.000 1.187 464 G CA -1.309 43.770 45.100 -0.035 0.000 0.886 464 G HN 0.395 nan 8.290 nan 0.000 0.615 465 I N 0.652 121.194 120.570 -0.047 0.000 2.813 465 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 465 I C 0.231 176.293 176.117 -0.091 0.000 1.196 465 I CA 0.639 61.909 61.300 -0.051 0.000 1.421 465 I CB 0.737 38.713 38.000 -0.040 0.000 1.365 465 I HN 0.158 nan 8.210 nan 0.000 0.591 466 K N 5.825 126.142 120.400 -0.138 0.000 2.270 466 K HA 0.610 4.930 4.320 -0.000 0.000 0.255 466 K C -1.164 175.167 176.600 -0.448 0.000 0.936 466 K CA -0.653 55.461 56.287 -0.289 0.000 0.809 466 K CB 1.874 34.163 32.500 -0.351 0.000 1.131 466 K HN 0.319 nan 8.250 nan 0.000 0.427 467 I N 3.396 123.690 120.570 -0.460 0.000 2.474 467 I HA 0.273 4.443 4.170 -0.000 0.000 0.294 467 I C -0.899 174.931 176.117 -0.479 0.000 1.005 467 I CA -0.816 60.221 61.300 -0.438 0.000 1.113 467 I CB 1.254 39.087 38.000 -0.279 0.000 1.289 467 I HN 0.560 nan 8.210 nan 0.000 0.436 468 Y N 4.691 124.942 120.300 -0.081 0.000 2.356 468 Y HA 0.452 5.001 4.550 -0.000 0.000 0.334 468 Y C 0.229 176.099 175.900 -0.050 0.000 0.958 468 Y CA -0.920 57.161 58.100 -0.032 0.000 1.196 468 Y CB 1.452 39.883 38.460 -0.050 0.000 1.137 468 Y HN 0.171 nan 8.280 nan 0.000 0.485 469 V N 3.833 123.832 119.914 0.142 0.000 2.439 469 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 469 V C 0.308 176.446 176.094 0.073 0.000 1.039 469 V CA -0.759 61.582 62.300 0.068 0.000 0.913 469 V CB 1.214 33.091 31.823 0.091 0.000 0.983 469 V HN 0.914 nan 8.190 nan 0.000 0.460 470 S N 2.656 118.372 115.700 0.027 0.000 2.652 470 S HA 0.227 4.697 4.470 -0.000 0.000 0.267 470 S C 0.735 175.346 174.600 0.018 0.000 1.201 470 S CA -0.524 57.688 58.200 0.019 0.000 0.996 470 S CB 0.671 63.872 63.200 0.000 0.000 1.054 470 S HN 0.662 nan 8.310 nan 0.000 0.561 471 D N 1.324 121.730 120.400 0.010 0.000 2.144 471 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 471 D C 1.040 177.344 176.300 0.006 0.000 0.984 471 D CA 1.565 55.571 54.000 0.010 0.000 0.834 471 D CB -0.593 40.210 40.800 0.005 0.000 0.955 471 D HN 0.821 nan 8.370 nan 0.000 0.465 472 D N -1.146 119.254 120.400 -0.000 0.000 2.319 472 D HA 0.182 4.822 4.640 -0.000 0.000 0.230 472 D C 1.466 177.758 176.300 -0.014 0.000 1.094 472 D CA 0.577 54.575 54.000 -0.003 0.000 0.856 472 D CB -0.158 40.641 40.800 -0.003 0.000 0.915 472 D HN 0.187 nan 8.370 nan 0.000 0.517 473 G N -0.250 108.538 108.800 -0.019 0.000 2.179 473 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 473 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 473 G C 0.265 175.112 174.900 -0.089 0.000 0.977 473 G CA 0.204 45.274 45.100 -0.050 0.000 0.641 473 G HN 0.456 nan 8.290 nan 0.000 0.533 474 K N 0.647 121.011 120.400 -0.060 0.000 2.185 474 K HA 0.726 5.046 4.320 -0.000 0.000 0.271 474 K C 0.364 176.921 176.600 -0.071 0.000 1.013 474 K CA 0.596 56.844 56.287 -0.065 0.000 0.943 474 K CB 1.359 33.840 32.500 -0.031 0.000 0.998 474 K HN 0.861 nan 8.250 nan 0.000 0.468 475 A N 1.800 124.566 122.820 -0.089 0.000 2.594 475 A HA 0.357 4.677 4.320 -0.000 0.000 0.295 475 A C -1.864 175.597 177.584 -0.206 0.000 1.071 475 A CA -0.680 51.249 52.037 -0.180 0.000 0.685 475 A CB 0.944 19.731 19.000 -0.354 0.000 1.285 475 A HN 0.841 nan 8.150 nan 0.000 0.405 476 H N 0.175 119.055 119.070 -0.316 0.000 2.489 476 H HA 0.695 5.251 4.556 -0.000 0.000 0.322 476 H C -1.556 173.546 175.328 -0.377 0.000 1.091 476 H CA -0.030 55.893 56.048 -0.209 0.000 1.291 476 H CB 0.496 30.194 29.762 -0.108 0.000 1.436 476 H HN 0.421 nan 8.280 nan 0.000 0.480 477 F N 2.463 122.177 119.950 -0.392 0.000 2.507 477 F HA 0.361 4.888 4.527 -0.000 0.000 0.325 477 F C -0.079 175.671 175.800 -0.084 0.000 1.116 477 F CA -0.675 57.288 58.000 -0.062 0.000 0.930 477 F CB 2.161 41.273 39.000 0.187 0.000 1.146 477 F HN 0.413 nan 8.300 nan 0.000 0.447 478 S N 4.682 120.544 115.700 0.271 0.000 2.756 478 S HA 0.749 5.219 4.470 -0.000 0.000 0.303 478 S C -1.073 173.682 174.600 0.258 0.000 1.135 478 S CA -0.359 57.993 58.200 0.253 0.000 1.066 478 S CB 0.142 63.483 63.200 0.234 0.000 1.008 478 S HN 0.510 nan 8.310 nan 0.000 0.482 479 I N 3.576 124.335 120.570 0.314 0.000 2.439 479 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 479 I C 0.124 176.346 176.117 0.175 0.000 1.021 479 I CA -0.572 60.846 61.300 0.197 0.000 1.091 479 I CB 2.077 40.150 38.000 0.123 0.000 1.242 479 I HN 0.545 nan 8.210 nan 0.000 0.439 480 S N 4.714 120.487 115.700 0.121 0.000 2.565 480 S HA 0.124 4.594 4.470 -0.000 0.000 0.274 480 S C 1.323 175.970 174.600 0.077 0.000 1.309 480 S CA -0.682 57.582 58.200 0.106 0.000 1.043 480 S CB 0.625 63.878 63.200 0.087 0.000 0.939 480 S HN 0.757 nan 8.310 nan 0.000 0.504 481 N N 3.358 122.100 118.700 0.070 0.000 2.635 481 N HA -0.062 4.678 4.740 -0.000 0.000 0.191 481 N C 0.649 176.183 175.510 0.040 0.000 1.155 481 N CA 0.497 53.567 53.050 0.034 0.000 0.927 481 N CB -0.174 38.326 38.487 0.022 0.000 0.976 481 N HN 0.396 nan 8.380 nan 0.000 0.448 482 S N -0.486 115.244 115.700 0.051 0.000 2.524 482 S HA 0.333 4.802 4.470 -0.000 0.000 0.215 482 S C 0.832 175.455 174.600 0.039 0.000 0.986 482 S CA -0.343 57.884 58.200 0.044 0.000 0.911 482 S CB 0.232 63.460 63.200 0.047 0.000 0.805 482 S HN 0.634 nan 8.310 nan 0.000 0.501 483 A N 1.597 124.442 122.820 0.042 0.000 2.483 483 A HA 0.215 4.535 4.320 -0.000 0.000 0.238 483 A C 1.410 179.014 177.584 0.034 0.000 1.070 483 A CA -0.087 51.970 52.037 0.034 0.000 0.770 483 A CB 0.133 19.153 19.000 0.034 0.000 1.008 483 A HN 0.227 nan 8.150 nan 0.000 0.497 484 E N 0.849 121.062 120.200 0.021 0.000 2.085 484 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 484 E C -0.323 176.308 176.600 0.051 0.000 0.994 484 E CA 1.831 58.244 56.400 0.022 0.000 0.801 484 E CB 0.070 29.769 29.700 -0.002 0.000 0.743 484 E HN 0.631 nan 8.360 nan 0.000 0.453 485 D N 0.421 120.847 120.400 0.042 0.000 2.454 485 D HA 0.157 4.797 4.640 -0.000 0.000 0.247 485 D C -2.212 174.159 176.300 0.118 0.000 1.129 485 D CA -1.619 52.442 54.000 0.102 0.000 0.877 485 D CB 1.544 42.314 40.800 -0.050 0.000 1.082 485 D HN 0.054 nan 8.370 nan 0.000 0.537 486 P HA 0.033 nan 4.420 nan 0.000 0.279 486 P C -0.665 176.777 177.300 0.237 0.000 1.451 486 P CA 0.235 63.437 63.100 0.170 0.000 0.783 486 P CB -0.619 31.148 31.700 0.112 0.000 1.490 487 F N -2.275 117.603 119.950 -0.119 0.000 2.631 487 F HA 0.644 5.171 4.527 -0.000 0.000 0.308 487 F C -1.367 174.264 175.800 -0.282 0.000 1.097 487 F CA -2.496 55.328 58.000 -0.293 0.000 0.952 487 F CB 0.755 39.500 39.000 -0.424 0.000 1.307 487 F HN -0.382 nan 8.300 nan 0.000 0.450 488 I N 2.419 122.767 120.570 -0.371 0.000 2.465 488 I HA 0.784 4.954 4.170 -0.000 0.000 0.291 488 I C -0.706 175.216 176.117 -0.325 0.000 1.014 488 I CA -1.051 60.062 61.300 -0.311 0.000 1.093 488 I CB 1.976 39.947 38.000 -0.049 0.000 1.267 488 I HN 1.012 nan 8.210 nan 0.000 0.431 489 A N 7.781 130.454 122.820 -0.245 0.000 2.393 489 A HA 0.933 5.253 4.320 -0.000 0.000 0.306 489 A C -0.864 176.759 177.584 0.065 0.000 1.050 489 A CA -0.509 51.449 52.037 -0.132 0.000 0.724 489 A CB 1.406 20.253 19.000 -0.255 0.000 1.248 489 A HN 0.727 nan 8.150 nan 0.000 0.424 490 I N -0.067 120.616 120.570 0.189 0.000 2.802 490 I HA 0.895 5.064 4.170 -0.000 0.000 0.298 490 I C -0.837 175.359 176.117 0.131 0.000 1.176 490 I CA -0.906 60.447 61.300 0.089 0.000 1.025 490 I CB 2.371 40.366 38.000 -0.008 0.000 1.243 490 I HN 0.969 nan 8.210 nan 0.000 0.424 491 H N 2.943 122.067 119.070 0.090 0.000 2.966 491 H HA 0.763 5.319 4.556 -0.000 0.000 0.330 491 H C 0.501 175.907 175.328 0.130 0.000 1.292 491 H CA -0.352 55.674 56.048 -0.037 0.000 1.127 491 H CB 1.247 30.844 29.762 -0.276 0.000 1.863 491 H HN 0.647 nan 8.280 nan 0.000 0.543 492 A N 0.082 123.062 122.820 0.268 0.000 1.948 492 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 492 A C 1.582 179.283 177.584 0.194 0.000 1.177 492 A CA 1.976 54.156 52.037 0.238 0.000 0.636 492 A CB -0.680 18.393 19.000 0.122 0.000 0.815 492 A HN 0.720 nan 8.150 nan 0.000 0.449 493 E N -0.171 120.234 120.200 0.343 0.000 2.489 493 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 493 E C 1.552 178.189 176.600 0.062 0.000 1.057 493 E CA 0.852 57.380 56.400 0.213 0.000 0.866 493 E CB -0.019 29.829 29.700 0.247 0.000 0.916 493 E HN 0.721 nan 8.360 nan 0.000 0.500 494 S N -0.494 115.101 115.700 -0.175 0.000 2.554 494 S HA 0.139 4.609 4.470 -0.000 0.000 0.226 494 S C 0.743 175.263 174.600 -0.133 0.000 0.980 494 S CA -0.433 57.623 58.200 -0.240 0.000 0.939 494 S CB 0.359 63.248 63.200 -0.519 0.000 0.832 494 S HN -0.068 nan 8.310 nan 0.000 0.486 495 K N 1.168 121.470 120.400 -0.163 0.000 2.270 495 K HA 0.286 4.606 4.320 -0.000 0.000 0.276 495 K C -0.375 176.046 176.600 -0.299 0.000 1.023 495 K CA -0.581 55.423 56.287 -0.471 0.000 0.955 495 K CB 0.406 32.492 32.500 -0.689 0.000 0.975 495 K HN 0.171 nan 8.250 nan 0.000 0.471 496 L N 0.000 121.038 121.223 -0.308 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.731 54.840 -0.181 0.000 0.813 496 L CB 0.000 41.972 42.059 -0.145 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502