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 3n3p_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.478 175.510 -0.053 0.000 1.280 35 N CA 0.000 53.023 53.050 -0.046 0.000 0.885 35 N CB 0.000 38.460 38.487 -0.045 0.000 1.341 36 G N 0.251 109.027 108.800 -0.040 0.000 2.398 36 G HA2 0.463 4.426 3.960 0.005 0.000 0.246 36 G HA3 0.463 4.426 3.960 0.005 0.000 0.246 36 G C 0.406 175.257 174.900 -0.081 0.000 1.289 36 G CA 0.861 45.939 45.100 -0.037 0.000 0.869 36 G HN 1.029 nan 8.290 nan 0.000 0.543 37 T N 1.154 115.638 114.554 -0.118 0.000 2.888 37 T HA 0.398 4.751 4.350 0.005 0.000 0.301 37 T C 0.923 175.517 174.700 -0.178 0.000 1.001 37 T CA 0.143 62.080 62.100 -0.273 0.000 1.147 37 T CB 0.903 69.493 68.868 -0.463 0.000 0.931 37 T HN 0.835 nan 8.240 nan 0.000 0.541 38 S N 2.305 117.862 115.700 -0.238 0.000 2.726 38 S HA 0.407 4.880 4.470 0.005 0.000 0.308 38 S C 1.031 175.633 174.600 0.004 0.000 1.115 38 S CA -0.993 57.180 58.200 -0.045 0.000 0.965 38 S CB 1.118 64.307 63.200 -0.019 0.000 1.145 38 S HN 0.460 nan 8.310 nan 0.000 0.532 39 N N 0.720 119.561 118.700 0.236 0.000 2.205 39 N HA -0.079 4.664 4.740 0.005 0.000 0.186 39 N C 1.626 177.312 175.510 0.293 0.000 1.015 39 N CA 1.069 54.385 53.050 0.443 0.000 0.862 39 N CB -0.687 38.087 38.487 0.477 0.000 0.986 39 N HN 0.634 nan 8.380 nan 0.000 0.429 40 R N 1.126 121.708 120.500 0.138 0.000 2.096 40 R HA -0.065 4.278 4.340 0.005 0.000 0.235 40 R C 1.139 177.417 176.300 -0.038 0.000 1.127 40 R CA 1.350 57.493 56.100 0.072 0.000 0.968 40 R CB -0.144 30.179 30.300 0.039 0.000 0.861 40 R HN 0.200 nan 8.270 nan 0.000 0.440 41 D N -1.243 119.046 120.400 -0.184 0.000 2.117 41 D HA -0.183 4.460 4.640 0.005 0.000 0.198 41 D C 1.675 177.720 176.300 -0.425 0.000 0.982 41 D CA 1.234 55.019 54.000 -0.359 0.000 0.828 41 D CB -0.331 40.125 40.800 -0.573 0.000 0.967 41 D HN 0.373 nan 8.370 nan 0.000 0.464 42 W N -0.486 120.537 121.300 -0.462 0.000 2.453 42 W HA 0.004 4.667 4.660 0.005 0.000 0.289 42 W C 0.667 176.558 176.519 -1.047 0.000 1.215 42 W CA -0.112 56.643 57.345 -0.983 0.000 1.297 42 W CB 0.220 28.501 29.460 -1.965 0.000 1.113 42 W HN -0.084 nan 8.180 nan 0.000 0.551 43 W N 0.337 121.768 121.300 0.219 0.000 2.104 43 W HA 0.277 4.940 4.660 0.005 0.000 0.291 43 W C -2.296 174.272 176.519 0.081 0.000 0.936 43 W CA -1.999 55.424 57.345 0.129 0.000 1.856 43 W CB -0.075 29.447 29.460 0.103 0.000 2.036 43 W HN -0.159 nan 8.180 nan 0.000 0.393 44 P HA -0.073 nan 4.420 nan 0.000 0.229 44 P C 1.023 178.384 177.300 0.102 0.000 1.160 44 P CA 1.480 64.632 63.100 0.086 0.000 0.777 44 P CB 0.449 32.166 31.700 0.028 0.000 0.814 45 N N -1.292 117.484 118.700 0.127 0.000 2.235 45 N HA 0.045 4.788 4.740 0.005 0.000 0.209 45 N C 0.586 176.162 175.510 0.109 0.000 1.122 45 N CA 0.149 53.258 53.050 0.098 0.000 0.845 45 N CB 0.156 38.692 38.487 0.082 0.000 1.004 45 N HN 0.190 nan 8.380 nan 0.000 0.499 46 Q N 0.954 120.849 119.800 0.157 0.000 2.443 46 Q HA 0.160 4.503 4.340 0.005 0.000 0.232 46 Q C -0.217 175.861 176.000 0.130 0.000 1.026 46 Q CA -0.518 55.376 55.803 0.152 0.000 0.924 46 Q CB 0.879 29.726 28.738 0.182 0.000 1.256 46 Q HN 0.107 nan 8.270 nan 0.000 0.519 47 L N 1.929 123.237 121.223 0.142 0.000 2.426 47 L HA 0.112 4.455 4.340 0.005 0.000 0.271 47 L C -0.452 176.458 176.870 0.067 0.000 1.169 47 L CA 0.430 55.297 54.840 0.045 0.000 0.836 47 L CB 0.600 42.618 42.059 -0.070 0.000 1.112 47 L HN 0.475 nan 8.230 nan 0.000 0.465 48 D N 3.869 124.277 120.400 0.013 0.000 2.454 48 D HA 0.190 4.833 4.640 0.005 0.000 0.225 48 D C 0.740 177.026 176.300 -0.023 0.000 1.081 48 D CA -0.090 53.928 54.000 0.030 0.000 0.864 48 D CB 0.501 41.321 40.800 0.034 0.000 1.040 48 D HN 0.578 nan 8.370 nan 0.000 0.517 49 L N 2.191 123.407 121.223 -0.011 0.000 2.492 49 L HA -0.035 4.309 4.340 0.005 0.000 0.223 49 L C 1.902 178.727 176.870 -0.075 0.000 1.132 49 L CA 0.217 55.019 54.840 -0.062 0.000 0.850 49 L CB -0.117 41.945 42.059 0.005 0.000 0.966 49 L HN 0.307 nan 8.230 nan 0.000 0.454 50 S N 1.064 116.770 115.700 0.011 0.000 2.419 50 S HA -0.178 4.295 4.470 0.005 0.000 0.233 50 S C 1.923 176.492 174.600 -0.051 0.000 1.016 50 S CA 1.372 59.590 58.200 0.029 0.000 0.974 50 S CB -0.391 62.838 63.200 0.047 0.000 0.786 50 S HN 0.612 nan 8.310 nan 0.000 0.492 51 I N -0.659 119.869 120.570 -0.070 0.000 2.756 51 I HA -0.019 4.154 4.170 0.005 0.000 0.262 51 I C 1.532 177.590 176.117 -0.099 0.000 1.225 51 I CA 1.281 62.545 61.300 -0.060 0.000 1.472 51 I CB -0.389 37.588 38.000 -0.038 0.000 1.094 51 I HN 0.195 nan 8.210 nan 0.000 0.454 52 L N 0.283 121.352 121.223 -0.257 0.000 2.492 52 L HA 0.024 4.367 4.340 0.005 0.000 0.223 52 L C 1.310 177.953 176.870 -0.379 0.000 1.132 52 L CA 0.746 55.371 54.840 -0.358 0.000 0.850 52 L CB -0.533 41.219 42.059 -0.511 0.000 0.966 52 L HN 0.388 nan 8.230 nan 0.000 0.454 53 H N -2.008 117.088 119.070 0.043 0.000 2.784 53 H HA 0.231 4.790 4.556 0.005 0.000 0.273 53 H C 0.407 175.725 175.328 -0.016 0.000 1.112 53 H CA -0.696 55.370 56.048 0.031 0.000 1.162 53 H CB 0.540 30.320 29.762 0.031 0.000 1.586 53 H HN -0.009 nan 8.280 nan 0.000 0.548 54 R N 1.084 121.574 120.500 -0.016 0.000 2.827 54 R HA -0.004 4.339 4.340 0.005 0.000 0.269 54 R C 0.176 176.353 176.300 -0.206 0.000 1.048 54 R CA 0.189 56.123 56.100 -0.276 0.000 1.173 54 R CB 0.056 30.019 30.300 -0.562 0.000 1.070 54 R HN 0.620 nan 8.270 nan 0.000 0.498 55 H N -2.633 116.476 119.070 0.064 0.000 2.862 55 H HA -0.152 4.407 4.556 0.005 0.000 0.290 55 H C 0.294 175.687 175.328 0.108 0.000 1.211 55 H CA 0.673 56.778 56.048 0.094 0.000 1.140 55 H CB -2.125 27.687 29.762 0.084 0.000 1.341 55 H HN 0.662 nan 8.280 nan 0.000 0.392 56 S N -0.041 115.724 115.700 0.107 0.000 2.617 56 S HA 0.267 4.740 4.470 0.005 0.000 0.259 56 S C 1.755 176.414 174.600 0.098 0.000 1.301 56 S CA -0.060 58.203 58.200 0.104 0.000 0.984 56 S CB 1.746 64.988 63.200 0.069 0.000 0.954 56 S HN 0.431 nan 8.310 nan 0.000 0.572 57 S N 0.575 116.323 115.700 0.079 0.000 2.474 57 S HA -0.027 4.446 4.470 0.005 0.000 0.235 57 S C 1.679 176.294 174.600 0.023 0.000 0.997 57 S CA 0.566 58.802 58.200 0.060 0.000 0.949 57 S CB -0.945 62.286 63.200 0.052 0.000 0.766 57 S HN 0.647 nan 8.310 nan 0.000 0.517 58 L N 2.088 123.322 121.223 0.020 0.000 2.027 58 L HA -0.063 4.280 4.340 0.005 0.000 0.206 58 L C 2.932 179.792 176.870 -0.017 0.000 1.074 58 L CA 1.533 56.372 54.840 -0.002 0.000 0.745 58 L CB -0.751 41.307 42.059 -0.001 0.000 0.898 58 L HN 0.561 nan 8.230 nan 0.000 0.433 59 S N -2.261 113.438 115.700 -0.001 0.000 2.562 59 S HA -0.041 4.432 4.470 0.005 0.000 0.221 59 S C 0.602 175.184 174.600 -0.030 0.000 0.975 59 S CA -0.221 57.977 58.200 -0.004 0.000 0.918 59 S CB -0.296 62.910 63.200 0.010 0.000 0.772 59 S HN 0.276 nan 8.310 nan 0.000 0.531 60 D N 2.869 123.230 120.400 -0.064 0.000 2.280 60 D HA 0.301 4.944 4.640 0.005 0.000 0.243 60 D C -1.481 174.584 176.300 -0.392 0.000 1.129 60 D CA -2.265 51.591 54.000 -0.240 0.000 0.848 60 D CB 1.847 42.641 40.800 -0.011 0.000 1.107 60 D HN 0.053 nan 8.370 nan 0.000 0.471 61 P HA 0.010 nan 4.420 nan 0.000 0.236 61 P C 0.370 177.421 177.300 -0.416 0.000 1.177 61 P CA 0.214 63.000 63.100 -0.524 0.000 0.773 61 P CB 0.267 31.559 31.700 -0.680 0.000 0.878 62 M N 0.199 119.540 119.600 -0.432 0.000 2.288 62 M HA 0.355 4.838 4.480 0.005 0.000 0.334 62 M C 1.267 177.512 176.300 -0.091 0.000 1.150 62 M CA -0.934 54.184 55.300 -0.302 0.000 1.118 62 M CB -0.071 32.314 32.600 -0.359 0.000 1.501 62 M HN -0.182 nan 8.290 nan 0.000 0.462 63 G N 1.258 110.049 108.800 -0.015 0.000 2.720 63 G HA2 0.023 3.986 3.960 0.005 0.000 0.237 63 G HA3 0.023 3.986 3.960 0.005 0.000 0.237 63 G C 0.672 175.646 174.900 0.123 0.000 1.239 63 G CA -0.266 44.872 45.100 0.064 0.000 0.847 63 G HN 0.732 nan 8.290 nan 0.000 0.593 64 K N -0.306 120.151 120.400 0.095 0.000 2.288 64 K HA 0.002 4.325 4.320 0.005 0.000 0.201 64 K C 1.705 178.383 176.600 0.129 0.000 1.048 64 K CA 0.922 57.272 56.287 0.106 0.000 0.956 64 K CB 0.174 32.717 32.500 0.071 0.000 0.746 64 K HN 0.424 nan 8.250 nan 0.000 0.461 65 D N -0.866 119.614 120.400 0.133 0.000 2.349 65 D HA -0.048 4.595 4.640 0.005 0.000 0.215 65 D C -0.199 176.209 176.300 0.180 0.000 1.016 65 D CA 0.001 54.077 54.000 0.127 0.000 0.870 65 D CB -0.110 40.750 40.800 0.100 0.000 0.917 65 D HN 0.053 nan 8.370 nan 0.000 0.524 66 F N 2.177 122.179 119.950 0.087 0.000 2.602 66 F HA 0.070 4.601 4.527 0.005 0.000 0.385 66 F C 0.486 176.373 175.800 0.146 0.000 1.063 66 F CA -0.122 57.950 58.000 0.119 0.000 1.233 66 F CB 0.318 39.401 39.000 0.137 0.000 1.067 66 F HN -0.265 nan 8.300 nan 0.000 0.564 67 N N 6.175 124.531 118.700 -0.574 0.000 2.524 67 N HA 0.013 4.756 4.740 0.005 0.000 0.261 67 N C 0.268 175.337 175.510 -0.735 0.000 0.998 67 N CA -0.423 52.362 53.050 -0.442 0.000 0.915 67 N CB 0.378 38.749 38.487 -0.194 0.000 1.187 67 N HN 0.777 nan 8.380 nan 0.000 0.507 68 Y N 4.586 124.463 120.300 -0.705 0.000 2.181 68 Y HA -0.098 4.455 4.550 0.005 0.000 0.288 68 Y C 2.011 177.847 175.900 -0.107 0.000 1.146 68 Y CA 2.238 60.099 58.100 -0.398 0.000 1.164 68 Y CB -0.353 38.112 38.460 0.009 0.000 0.982 68 Y HN 0.639 nan 8.280 nan 0.000 0.515 69 A N 0.322 123.000 122.820 -0.237 0.000 1.927 69 A HA -0.320 4.003 4.320 0.005 0.000 0.220 69 A C 2.156 179.639 177.584 -0.169 0.000 1.185 69 A CA 2.299 54.204 52.037 -0.221 0.000 0.639 69 A CB -0.818 18.136 19.000 -0.077 0.000 0.820 69 A HN 0.698 nan 8.150 nan 0.000 0.451 70 Q N -1.043 118.661 119.800 -0.160 0.000 2.079 70 Q HA -0.043 4.300 4.340 0.005 0.000 0.200 70 Q C 2.511 178.456 176.000 -0.092 0.000 0.974 70 Q CA 1.172 56.912 55.803 -0.105 0.000 0.840 70 Q CB -0.365 28.319 28.738 -0.091 0.000 0.898 70 Q HN 0.698 nan 8.270 nan 0.000 0.430 71 A N 0.797 123.544 122.820 -0.120 0.000 1.883 71 A HA -0.216 4.107 4.320 0.005 0.000 0.217 71 A C 1.885 179.453 177.584 -0.026 0.000 1.186 71 A CA 1.301 53.344 52.037 0.010 0.000 0.624 71 A CB -0.906 18.227 19.000 0.220 0.000 0.822 71 A HN 0.449 nan 8.150 nan 0.000 0.444 72 F N 0.774 120.513 119.950 -0.352 0.000 2.126 72 F HA -0.170 4.360 4.527 0.006 0.000 0.299 72 F C 2.209 177.914 175.800 -0.159 0.000 1.096 72 F CA 2.083 59.893 58.000 -0.317 0.000 1.255 72 F CB -0.035 38.597 39.000 -0.615 0.000 0.997 72 F HN 0.188 nan 8.300 nan 0.000 0.479 73 E N 0.653 120.834 120.200 -0.031 0.000 2.267 73 E HA -0.195 4.158 4.350 0.005 0.000 0.197 73 E C 1.784 178.305 176.600 -0.132 0.000 0.998 73 E CA 1.184 57.550 56.400 -0.057 0.000 0.830 73 E CB -0.283 29.418 29.700 0.000 0.000 0.751 73 E HN 0.518 nan 8.360 nan 0.000 0.491 74 K N 0.038 120.363 120.400 -0.125 0.000 2.374 74 K HA 0.073 4.396 4.320 0.005 0.000 0.196 74 K C 0.555 177.072 176.600 -0.138 0.000 1.023 74 K CA -0.371 55.856 56.287 -0.101 0.000 1.103 74 K CB 0.276 32.752 32.500 -0.041 0.000 0.848 74 K HN -0.040 nan 8.250 nan 0.000 0.528 75 L N 2.306 123.372 121.223 -0.262 0.000 2.453 75 L HA 0.012 4.355 4.340 0.005 0.000 0.272 75 L C -0.027 176.682 176.870 -0.268 0.000 1.182 75 L CA 0.313 54.985 54.840 -0.280 0.000 0.858 75 L CB 0.466 42.209 42.059 -0.527 0.000 1.120 75 L HN -0.023 nan 8.230 nan 0.000 0.474 76 D N 4.146 124.450 120.400 -0.159 0.000 2.455 76 D HA -0.023 4.620 4.640 0.005 0.000 0.234 76 D C 0.997 177.169 176.300 -0.215 0.000 1.224 76 D CA -0.017 53.903 54.000 -0.135 0.000 0.999 76 D CB 0.320 41.102 40.800 -0.031 0.000 1.072 76 D HN 0.639 nan 8.370 nan 0.000 0.514 77 L N 4.396 125.475 121.223 -0.240 0.000 2.083 77 L HA -0.090 4.253 4.340 0.005 0.000 0.209 77 L C 2.093 178.862 176.870 -0.168 0.000 1.083 77 L CA 2.089 56.787 54.840 -0.236 0.000 0.752 77 L CB -0.514 41.450 42.059 -0.157 0.000 0.899 77 L HN 0.386 nan 8.230 nan 0.000 0.433 78 A N -0.476 122.280 122.820 -0.108 0.000 1.908 78 A HA -0.147 4.176 4.320 0.005 0.000 0.218 78 A C 2.463 180.014 177.584 -0.053 0.000 1.181 78 A CA 1.910 53.909 52.037 -0.064 0.000 0.627 78 A CB -1.184 17.791 19.000 -0.043 0.000 0.818 78 A HN 0.576 nan 8.150 nan 0.000 0.445 79 A N -0.555 122.233 122.820 -0.054 0.000 1.902 79 A HA -0.000 4.323 4.320 0.005 0.000 0.217 79 A C 2.233 179.806 177.584 -0.018 0.000 1.181 79 A CA 1.812 53.855 52.037 0.011 0.000 0.623 79 A CB -0.986 18.069 19.000 0.092 0.000 0.818 79 A HN 0.423 nan 8.150 nan 0.000 0.443 80 V N 0.299 120.053 119.914 -0.267 0.000 2.287 80 V HA -0.297 3.826 4.120 0.005 0.000 0.248 80 V C 2.416 178.413 176.094 -0.161 0.000 1.053 80 V CA 2.407 64.460 62.300 -0.413 0.000 1.027 80 V CB -0.742 30.682 31.823 -0.666 0.000 0.646 80 V HN 0.548 nan 8.190 nan 0.000 0.447 81 K N -0.299 120.028 120.400 -0.120 0.000 2.148 81 K HA -0.117 4.206 4.320 0.005 0.000 0.204 81 K C 2.384 179.052 176.600 0.114 0.000 1.050 81 K CA 1.105 57.372 56.287 -0.032 0.000 0.942 81 K CB -0.224 32.272 32.500 -0.007 0.000 0.724 81 K HN 0.407 nan 8.250 nan 0.000 0.446 82 R N 0.895 121.443 120.500 0.080 0.000 2.081 82 R HA -0.124 4.219 4.340 0.005 0.000 0.235 82 R C 1.701 178.064 176.300 0.106 0.000 1.131 82 R CA 1.484 57.645 56.100 0.100 0.000 0.960 82 R CB -0.182 30.145 30.300 0.044 0.000 0.856 82 R HN 0.194 nan 8.270 nan 0.000 0.436 83 D N 0.662 121.110 120.400 0.079 0.000 2.144 83 D HA -0.108 4.535 4.640 0.005 0.000 0.200 83 D C 1.973 178.302 176.300 0.048 0.000 0.978 83 D CA 1.006 55.053 54.000 0.079 0.000 0.833 83 D CB -0.084 40.793 40.800 0.128 0.000 0.961 83 D HN 0.162 nan 8.370 nan 0.000 0.470 84 L N 0.186 121.405 121.223 -0.006 0.000 2.093 84 L HA -0.144 4.199 4.340 0.005 0.000 0.208 84 L C 2.491 179.325 176.870 -0.060 0.000 1.085 84 L CA 0.909 55.700 54.840 -0.081 0.000 0.755 84 L CB -0.448 41.493 42.059 -0.196 0.000 0.904 84 L HN 0.170 nan 8.230 nan 0.000 0.435 85 H N -0.032 119.034 119.070 -0.008 0.000 2.319 85 H HA -0.171 4.388 4.556 0.005 0.000 0.299 85 H C 2.282 177.620 175.328 0.017 0.000 1.092 85 H CA 1.693 57.749 56.048 0.014 0.000 1.302 85 H CB -0.011 29.758 29.762 0.011 0.000 1.373 85 H HN 0.387 nan 8.280 nan 0.000 0.497 86 A N 1.111 124.019 122.820 0.146 0.000 1.908 86 A HA -0.160 4.163 4.320 0.005 0.000 0.218 86 A C 2.540 180.176 177.584 0.088 0.000 1.181 86 A CA 1.534 53.627 52.037 0.094 0.000 0.627 86 A CB -0.833 18.212 19.000 0.075 0.000 0.818 86 A HN 0.331 nan 8.150 nan 0.000 0.445 87 L N -0.861 120.423 121.223 0.102 0.000 2.083 87 L HA -0.157 4.186 4.340 0.005 0.000 0.209 87 L C 2.231 179.243 176.870 0.238 0.000 1.083 87 L CA 1.865 56.802 54.840 0.163 0.000 0.752 87 L CB -0.485 41.664 42.059 0.151 0.000 0.899 87 L HN 0.305 nan 8.230 nan 0.000 0.433 88 M N -0.300 119.391 119.600 0.152 0.000 2.146 88 M HA -0.195 4.288 4.480 0.005 0.000 0.256 88 M C 1.703 177.923 176.300 -0.133 0.000 1.075 88 M CA 2.214 57.538 55.300 0.040 0.000 1.082 88 M CB -1.955 30.505 32.600 -0.234 0.000 1.355 88 M HN 0.652 nan 8.290 nan 0.000 0.402 89 T N -4.511 109.988 114.554 -0.092 0.000 3.200 89 T HA 0.187 4.540 4.350 0.005 0.000 0.284 89 T C 0.244 174.923 174.700 -0.034 0.000 1.009 89 T CA -0.328 61.696 62.100 -0.126 0.000 0.907 89 T CB -0.283 68.515 68.868 -0.117 0.000 1.120 89 T HN 0.096 nan 8.240 nan 0.000 0.534 90 T N 2.522 117.117 114.554 0.068 0.000 3.145 90 T HA 0.434 4.787 4.350 0.005 0.000 0.348 90 T C 0.115 174.908 174.700 0.156 0.000 1.299 90 T CA -0.295 61.861 62.100 0.094 0.000 1.037 90 T CB 0.636 69.576 68.868 0.120 0.000 1.122 90 T HN 0.354 nan 8.240 nan 0.000 0.600 91 S N 3.327 119.034 115.700 0.010 0.000 2.549 91 S HA 0.170 4.643 4.470 0.005 0.000 0.279 91 S C 0.045 174.661 174.600 0.027 0.000 1.321 91 S CA -0.571 57.601 58.200 -0.048 0.000 1.054 91 S CB 0.332 63.433 63.200 -0.166 0.000 0.899 91 S HN 0.431 nan 8.310 nan 0.000 0.497 92 Q N 3.093 122.891 119.800 -0.002 0.000 2.241 92 Q HA 0.239 4.582 4.340 0.005 0.000 0.254 92 Q C 0.339 176.159 176.000 -0.301 0.000 0.917 92 Q CA -0.536 55.107 55.803 -0.268 0.000 0.919 92 Q CB 1.493 29.732 28.738 -0.832 0.000 1.237 92 Q HN 0.683 nan 8.270 nan 0.000 0.434 93 D N 1.800 122.116 120.400 -0.140 0.000 2.149 93 D HA -0.177 4.466 4.640 0.005 0.000 0.198 93 D C 1.630 177.949 176.300 0.031 0.000 0.990 93 D CA 1.137 55.114 54.000 -0.038 0.000 0.839 93 D CB 0.018 40.853 40.800 0.059 0.000 0.948 93 D HN 0.706 nan 8.370 nan 0.000 0.460 94 W N -1.470 119.922 121.300 0.154 0.000 2.525 94 W HA -0.029 4.634 4.660 0.005 0.000 0.259 94 W C 0.315 177.047 176.519 0.356 0.000 1.253 94 W CA -0.019 57.445 57.345 0.198 0.000 1.262 94 W CB -0.624 28.942 29.460 0.176 0.000 1.122 94 W HN 0.030 nan 8.180 nan 0.000 0.607 95 W N 2.779 123.939 121.300 -0.233 0.000 1.660 95 W HA 0.242 4.905 4.660 0.005 0.000 0.312 95 W C -2.909 173.574 176.519 -0.061 0.000 0.987 95 W CA -1.812 55.468 57.345 -0.108 0.000 1.268 95 W CB 0.539 29.939 29.460 -0.100 0.000 1.360 95 W HN -0.370 nan 8.180 nan 0.000 0.352 96 P HA 0.050 nan 4.420 nan 0.000 0.268 96 P C -0.052 177.164 177.300 -0.140 0.000 1.205 96 P CA 0.599 63.609 63.100 -0.150 0.000 0.771 96 P CB 0.851 32.473 31.700 -0.130 0.000 0.858 97 A N 3.065 125.674 122.820 -0.352 0.000 2.454 97 A HA 0.132 4.456 4.320 0.005 0.000 0.260 97 A C 0.086 177.475 177.584 -0.326 0.000 1.106 97 A CA -0.258 51.404 52.037 -0.624 0.000 0.780 97 A CB -0.428 17.829 19.000 -1.238 0.000 1.044 97 A HN 0.445 nan 8.150 nan 0.000 0.498 98 D N 1.720 121.995 120.400 -0.209 0.000 2.488 98 D HA 0.131 4.774 4.640 0.005 0.000 0.238 98 D C 0.496 176.557 176.300 -0.399 0.000 1.138 98 D CA 0.811 54.507 54.000 -0.507 0.000 0.873 98 D CB -0.227 40.501 40.800 -0.121 0.000 1.183 98 D HN 0.514 nan 8.370 nan 0.000 0.458 99 F N 0.308 119.921 119.950 -0.562 0.000 3.048 99 F HA -0.270 4.260 4.527 0.005 0.000 0.287 99 F C 1.596 177.269 175.800 -0.212 0.000 0.796 99 F CA 0.628 58.441 58.000 -0.311 0.000 1.111 99 F CB -1.959 36.952 39.000 -0.148 0.000 1.320 99 F HN 0.640 nan 8.300 nan 0.000 0.430 100 G N -0.787 107.899 108.800 -0.189 0.000 2.153 100 G HA2 -0.316 3.647 3.960 0.005 0.000 0.252 100 G HA3 -0.316 3.647 3.960 0.005 0.000 0.252 100 G C -0.149 174.698 174.900 -0.088 0.000 0.994 100 G CA 0.409 45.422 45.100 -0.145 0.000 0.698 100 G HN 0.966 nan 8.290 nan 0.000 0.521 101 H N -1.625 117.356 119.070 -0.148 0.000 2.934 101 H HA 0.412 4.971 4.556 0.005 0.000 0.340 101 H C -0.072 175.228 175.328 -0.046 0.000 1.008 101 H CA -0.865 55.147 56.048 -0.060 0.000 1.317 101 H CB 0.877 30.674 29.762 0.059 0.000 1.670 101 H HN 0.023 nan 8.280 nan 0.000 0.516 102 Y N 2.858 123.260 120.300 0.170 0.000 2.529 102 Y HA 0.062 4.615 4.550 0.005 0.000 0.290 102 Y C 2.213 178.177 175.900 0.106 0.000 1.177 102 Y CA 0.806 58.905 58.100 -0.002 0.000 1.305 102 Y CB 0.061 38.343 38.460 -0.297 0.000 1.047 102 Y HN 0.820 nan 8.280 nan 0.000 0.522 103 G N 0.248 109.434 108.800 0.644 0.000 2.491 103 G HA2 -0.306 3.658 3.960 0.005 0.000 0.218 103 G HA3 -0.306 3.658 3.960 0.005 0.000 0.218 103 G C 2.100 177.131 174.900 0.219 0.000 1.180 103 G CA 1.048 46.403 45.100 0.426 0.000 0.774 103 G HN 0.498 nan 8.290 nan 0.000 0.562 104 G N 0.715 109.639 108.800 0.207 0.000 2.469 104 G HA2 -0.193 3.770 3.960 0.005 0.000 0.219 104 G HA3 -0.193 3.770 3.960 0.005 0.000 0.219 104 G C 1.779 176.830 174.900 0.251 0.000 1.150 104 G CA 1.161 46.410 45.100 0.248 0.000 0.763 104 G HN 0.442 nan 8.290 nan 0.000 0.561 105 L N -0.505 120.846 121.223 0.212 0.000 2.042 105 L HA 0.082 4.425 4.340 0.005 0.000 0.210 105 L C 2.446 179.387 176.870 0.118 0.000 1.076 105 L CA 1.603 56.520 54.840 0.128 0.000 0.749 105 L CB -0.548 41.532 42.059 0.034 0.000 0.893 105 L HN 0.169 nan 8.230 nan 0.000 0.432 106 F N -0.649 119.421 119.950 0.200 0.000 2.259 106 F HA -0.039 4.491 4.527 0.005 0.000 0.298 106 F C 2.337 178.243 175.800 0.176 0.000 1.088 106 F CA 0.880 58.973 58.000 0.155 0.000 1.358 106 F CB -0.669 38.410 39.000 0.132 0.000 1.040 106 F HN 0.027 nan 8.300 nan 0.000 0.505 107 I N -0.319 120.447 120.570 0.326 0.000 2.179 107 I HA -0.296 3.877 4.170 0.005 0.000 0.242 107 I C 2.723 179.108 176.117 0.447 0.000 1.088 107 I CA 1.212 62.676 61.300 0.274 0.000 1.357 107 I CB -0.414 37.592 38.000 0.010 0.000 1.051 107 I HN 0.026 nan 8.210 nan 0.000 0.409 108 R N 1.106 121.821 120.500 0.360 0.000 2.091 108 R HA -0.244 4.099 4.340 0.005 0.000 0.238 108 R C 2.409 178.810 176.300 0.169 0.000 1.136 108 R CA 1.822 58.118 56.100 0.327 0.000 0.959 108 R CB -0.289 30.118 30.300 0.179 0.000 0.856 108 R HN 0.327 nan 8.270 nan 0.000 0.437 109 M N 0.031 119.741 119.600 0.183 0.000 2.086 109 M HA -0.151 4.332 4.480 0.005 0.000 0.261 109 M C 2.106 178.512 176.300 0.176 0.000 1.067 109 M CA 2.173 57.557 55.300 0.140 0.000 1.116 109 M CB -0.184 32.557 32.600 0.235 0.000 1.348 109 M HN 0.311 nan 8.290 nan 0.000 0.407 110 A N 0.618 123.621 122.820 0.306 0.000 1.898 110 A HA -0.219 4.104 4.320 0.005 0.000 0.216 110 A C 2.063 179.792 177.584 0.242 0.000 1.181 110 A CA 1.386 53.592 52.037 0.281 0.000 0.620 110 A CB -1.568 17.713 19.000 0.469 0.000 0.819 110 A HN 0.925 nan 8.150 nan 0.000 0.442 111 W N 0.462 121.959 121.300 0.329 0.000 2.338 111 W HA -0.232 4.430 4.660 0.004 0.000 0.304 111 W C 1.770 178.432 176.519 0.237 0.000 1.212 111 W CA 1.837 59.352 57.345 0.282 0.000 1.264 111 W CB -0.739 29.025 29.460 0.507 0.000 1.142 111 W HN 0.598 nan 8.180 nan 0.000 0.512 112 H N -0.169 118.586 119.070 -0.525 0.000 2.423 112 H HA -0.157 4.402 4.556 0.005 0.000 0.297 112 H C 2.677 177.723 175.328 -0.470 0.000 1.075 112 H CA 1.356 57.002 56.048 -0.670 0.000 1.342 112 H CB -0.067 29.462 29.762 -0.388 0.000 1.395 112 H HN 0.141 nan 8.280 nan 0.000 0.530 113 S N 0.422 116.021 115.700 -0.167 0.000 2.356 113 S HA -0.129 4.345 4.470 0.005 0.000 0.223 113 S C 2.360 176.824 174.600 -0.227 0.000 1.032 113 S CA 0.957 59.048 58.200 -0.182 0.000 1.005 113 S CB -0.156 62.980 63.200 -0.106 0.000 0.867 113 S HN 0.482 nan 8.310 nan 0.000 0.449 114 A N 0.292 122.971 122.820 -0.234 0.000 2.016 114 A HA 0.287 4.610 4.320 0.005 0.000 0.217 114 A C 2.161 179.612 177.584 -0.222 0.000 1.162 114 A CA 1.266 53.166 52.037 -0.229 0.000 0.662 114 A CB -1.125 17.730 19.000 -0.242 0.000 0.812 114 A HN 0.614 nan 8.150 nan 0.000 0.450 115 G N -0.415 108.095 108.800 -0.484 0.000 2.744 115 G HA2 -0.015 3.948 3.960 0.005 0.000 0.211 115 G HA3 -0.015 3.948 3.960 0.005 0.000 0.211 115 G C 1.386 175.934 174.900 -0.587 0.000 1.143 115 G CA 1.446 46.088 45.100 -0.763 0.000 0.788 115 G HN 0.625 nan 8.290 nan 0.000 0.534 116 T N -2.713 111.638 114.554 -0.339 0.000 3.148 116 T HA 0.078 4.431 4.350 0.005 0.000 0.253 116 T C 0.874 175.655 174.700 0.134 0.000 1.134 116 T CA -0.453 61.571 62.100 -0.127 0.000 1.051 116 T CB -0.298 68.468 68.868 -0.170 0.000 0.959 116 T HN 0.174 nan 8.240 nan 0.000 0.525 117 Y N 3.181 123.465 120.300 -0.026 0.000 2.511 117 Y HA 0.402 4.954 4.550 0.004 0.000 0.332 117 Y C 0.065 176.007 175.900 0.070 0.000 1.177 117 Y CA -0.988 57.123 58.100 0.017 0.000 1.422 117 Y CB 0.394 38.836 38.460 -0.031 0.000 1.271 117 Y HN 0.044 nan 8.280 nan 0.000 0.550 118 R N 2.660 122.804 120.500 -0.593 0.000 2.534 118 R HA 0.246 4.589 4.340 0.005 0.000 0.301 118 R C 1.051 176.839 176.300 -0.853 0.000 0.961 118 R CA -0.003 55.788 56.100 -0.514 0.000 0.871 118 R CB 1.290 31.446 30.300 -0.240 0.000 1.170 118 R HN 0.783 nan 8.270 nan 0.000 0.446 119 T N -0.975 113.247 114.554 -0.552 0.000 2.915 119 T HA -0.139 4.215 4.350 0.005 0.000 0.269 119 T C 1.895 176.468 174.700 -0.212 0.000 1.071 119 T CA 1.003 62.899 62.100 -0.340 0.000 1.132 119 T CB -0.103 68.730 68.868 -0.060 0.000 0.878 119 T HN 0.531 nan 8.240 nan 0.000 0.479 120 A N 3.087 125.799 122.820 -0.181 0.000 1.892 120 A HA -0.159 4.164 4.320 0.005 0.000 0.218 120 A C 2.015 179.511 177.584 -0.145 0.000 1.188 120 A CA 2.051 54.008 52.037 -0.134 0.000 0.631 120 A CB -0.609 18.325 19.000 -0.111 0.000 0.822 120 A HN 0.788 nan 8.150 nan 0.000 0.447 121 D N -4.439 115.854 120.400 -0.178 0.000 2.527 121 D HA 0.315 4.958 4.640 0.005 0.000 0.224 121 D C 1.030 177.233 176.300 -0.161 0.000 1.217 121 D CA 0.835 54.742 54.000 -0.155 0.000 0.819 121 D CB -0.644 40.066 40.800 -0.150 0.000 1.061 121 D HN 0.882 nan 8.370 nan 0.000 0.515 122 G N 0.948 109.615 108.800 -0.222 0.000 2.196 122 G HA2 -0.383 3.580 3.960 0.005 0.000 0.268 122 G HA3 -0.383 3.580 3.960 0.005 0.000 0.268 122 G C 0.438 175.288 174.900 -0.084 0.000 0.975 122 G CA 0.393 45.407 45.100 -0.144 0.000 0.648 122 G HN 0.463 nan 8.290 nan 0.000 0.538 123 R N 0.261 120.663 120.500 -0.165 0.000 2.726 123 R HA 0.499 4.842 4.340 0.005 0.000 0.272 123 R C 1.297 177.573 176.300 -0.041 0.000 1.097 123 R CA 0.460 56.488 56.100 -0.120 0.000 1.198 123 R CB 0.157 30.327 30.300 -0.216 0.000 1.114 123 R HN 1.394 nan 8.270 nan 0.000 0.550 124 G N -0.472 108.356 108.800 0.048 0.000 2.752 124 G HA2 0.102 4.065 3.960 0.005 0.000 0.234 124 G HA3 0.102 4.065 3.960 0.005 0.000 0.234 124 G C 0.144 175.160 174.900 0.192 0.000 1.367 124 G CA -0.297 44.925 45.100 0.204 0.000 0.879 124 G HN 1.171 nan 8.290 nan 0.000 0.563 125 G N -2.969 105.910 108.800 0.132 0.000 2.655 125 G HA2 0.454 4.417 3.960 0.005 0.000 0.680 125 G HA3 0.454 4.417 3.960 0.005 0.000 0.680 125 G C 0.829 175.674 174.900 -0.092 0.000 1.302 125 G CA 1.057 46.166 45.100 0.015 0.000 0.872 125 G HN 2.476 nan 8.290 nan 0.000 0.540 126 A N -0.513 122.207 122.820 -0.167 0.000 2.238 126 A HA 0.545 4.868 4.320 0.005 0.000 0.210 126 A C 2.456 179.945 177.584 -0.159 0.000 1.179 126 A CA 1.666 53.598 52.037 -0.175 0.000 0.827 126 A CB -0.299 18.569 19.000 -0.220 0.000 0.856 126 A HN 2.268 nan 8.150 nan 0.000 0.488 127 G N -0.204 108.503 108.800 -0.155 0.000 2.598 127 G HA2 -0.039 3.924 3.960 0.005 0.000 0.215 127 G HA3 -0.039 3.924 3.960 0.005 0.000 0.215 127 G C 0.971 175.799 174.900 -0.118 0.000 1.131 127 G CA 0.775 45.785 45.100 -0.150 0.000 0.785 127 G HN 0.646 nan 8.290 nan 0.000 0.539 128 E N -0.782 119.357 120.200 -0.102 0.000 2.583 128 E HA 0.287 4.640 4.350 0.005 0.000 0.213 128 E C 1.402 177.946 176.600 -0.093 0.000 0.989 128 E CA 0.046 56.387 56.400 -0.098 0.000 0.991 128 E CB 0.660 30.309 29.700 -0.085 0.000 1.040 128 E HN 0.247 nan 8.360 nan 0.000 0.481 129 G N 2.365 111.101 108.800 -0.106 0.000 2.225 129 G HA2 -0.327 3.636 3.960 0.005 0.000 0.267 129 G HA3 -0.327 3.636 3.960 0.005 0.000 0.267 129 G C 0.892 175.680 174.900 -0.188 0.000 1.024 129 G CA 0.261 45.278 45.100 -0.138 0.000 0.784 129 G HN 0.191 nan 8.290 nan 0.000 0.507 130 Q N -0.734 119.010 119.800 -0.093 0.000 2.500 130 Q HA -0.057 4.286 4.340 0.005 0.000 0.213 130 Q C 2.318 178.219 176.000 -0.165 0.000 0.974 130 Q CA 1.323 57.124 55.803 -0.003 0.000 0.918 130 Q CB -0.006 28.759 28.738 0.046 0.000 0.980 130 Q HN 0.902 nan 8.270 nan 0.000 0.505 131 Q N 1.125 120.764 119.800 -0.268 0.000 2.291 131 Q HA -0.145 4.198 4.340 0.005 0.000 0.206 131 Q C 1.678 177.447 176.000 -0.386 0.000 0.976 131 Q CA 0.873 56.485 55.803 -0.319 0.000 0.875 131 Q CB 0.154 28.735 28.738 -0.261 0.000 0.927 131 Q HN 0.350 nan 8.270 nan 0.000 0.450 132 R N -1.179 118.976 120.500 -0.575 0.000 2.310 132 R HA 0.116 4.459 4.340 0.005 0.000 0.202 132 R C -0.391 175.473 176.300 -0.728 0.000 0.933 132 R CA -0.059 55.580 56.100 -0.768 0.000 1.054 132 R CB 0.177 29.804 30.300 -1.121 0.000 0.985 132 R HN 0.011 nan 8.270 nan 0.000 0.489 133 F N 0.461 120.275 119.950 -0.226 0.000 2.618 133 F HA 0.618 5.148 4.527 0.005 0.000 0.332 133 F C 0.456 176.167 175.800 -0.149 0.000 1.061 133 F CA -1.645 56.259 58.000 -0.160 0.000 0.974 133 F CB 1.217 40.151 39.000 -0.109 0.000 1.310 133 F HN -0.098 nan 8.300 nan 0.000 0.491 134 A N 1.539 124.436 122.820 0.127 0.000 2.407 134 A HA 0.389 4.713 4.320 0.005 0.000 0.248 134 A C -1.891 175.739 177.584 0.076 0.000 1.082 134 A CA -1.029 51.041 52.037 0.055 0.000 0.785 134 A CB -0.156 18.884 19.000 0.068 0.000 1.020 134 A HN 0.552 nan 8.150 nan 0.000 0.489 135 P HA 0.082 nan 4.420 nan 0.000 0.252 135 P C 1.086 178.237 177.300 -0.248 0.000 1.218 135 P CA 0.358 63.489 63.100 0.052 0.000 0.807 135 P CB 0.117 32.001 31.700 0.306 0.000 1.072 136 L N 0.845 121.735 121.223 -0.554 0.000 2.275 136 L HA -0.138 4.205 4.340 0.005 0.000 0.215 136 L C 2.106 178.702 176.870 -0.456 0.000 1.119 136 L CA 1.448 55.689 54.840 -0.998 0.000 0.790 136 L CB -1.115 40.403 42.059 -0.903 0.000 0.919 136 L HN 0.120 nan 8.230 nan 0.000 0.443 137 N N -1.390 117.152 118.700 -0.264 0.000 2.520 137 N HA -0.142 4.601 4.740 0.005 0.000 0.185 137 N C 1.129 176.622 175.510 -0.028 0.000 1.068 137 N CA 1.138 54.090 53.050 -0.163 0.000 0.911 137 N CB -0.193 38.180 38.487 -0.190 0.000 0.961 137 N HN 0.078 nan 8.380 nan 0.000 0.446 138 S N -1.849 113.829 115.700 -0.037 0.000 2.780 138 S HA 0.173 4.646 4.470 0.005 0.000 0.248 138 S C -0.666 173.964 174.600 0.051 0.000 1.036 138 S CA -0.798 57.379 58.200 -0.038 0.000 1.061 138 S CB 0.139 63.214 63.200 -0.209 0.000 1.037 138 S HN 0.228 nan 8.310 nan 0.000 0.584 139 W N 3.226 124.402 121.300 -0.207 0.000 2.231 139 W HA 0.216 4.879 4.660 0.004 0.000 0.341 139 W C -1.991 174.407 176.519 -0.200 0.000 1.298 139 W CA -1.882 55.247 57.345 -0.360 0.000 1.266 139 W CB -0.388 28.913 29.460 -0.264 0.000 1.172 139 W HN 0.086 nan 8.180 nan 0.000 0.568 140 P HA -0.208 nan 4.420 nan 0.000 0.216 140 P C 1.152 178.384 177.300 -0.114 0.000 1.150 140 P CA 1.844 64.889 63.100 -0.092 0.000 0.843 140 P CB 0.314 31.950 31.700 -0.105 0.000 0.787 141 D N -1.793 118.600 120.400 -0.012 0.000 2.348 141 D HA -0.052 4.591 4.640 0.005 0.000 0.216 141 D C 0.781 177.162 176.300 0.134 0.000 0.970 141 D CA 0.677 54.718 54.000 0.068 0.000 0.889 141 D CB -0.541 40.291 40.800 0.053 0.000 0.912 141 D HN 0.040 nan 8.370 nan 0.000 0.524 142 N N 0.048 118.770 118.700 0.036 0.000 2.251 142 N HA 0.171 4.914 4.740 0.005 0.000 0.217 142 N C -0.309 174.925 175.510 -0.460 0.000 1.124 142 N CA -0.106 52.921 53.050 -0.038 0.000 0.843 142 N CB 0.433 38.941 38.487 0.035 0.000 1.024 142 N HN -0.013 nan 8.380 nan 0.000 0.501 143 A N 1.143 123.415 122.820 -0.913 0.000 2.567 143 A HA 0.049 4.372 4.320 0.005 0.000 0.240 143 A C 0.964 177.944 177.584 -1.007 0.000 1.053 143 A CA 0.140 51.016 52.037 -1.934 0.000 0.755 143 A CB -0.072 17.977 19.000 -1.584 0.000 0.978 143 A HN 0.469 nan 8.150 nan 0.000 0.507 144 N N 0.084 118.259 118.700 -0.875 0.000 2.900 144 N HA -0.197 4.546 4.740 0.005 0.000 0.240 144 N C 0.756 176.057 175.510 -0.348 0.000 0.953 144 N CA 1.577 54.344 53.050 -0.471 0.000 0.950 144 N CB -1.333 36.845 38.487 -0.515 0.000 1.102 144 N HN 0.686 nan 8.380 nan 0.000 0.593 145 L N 1.176 122.253 121.223 -0.243 0.000 2.362 145 L HA -0.127 4.217 4.340 0.005 0.000 0.219 145 L C 2.064 178.890 176.870 -0.074 0.000 1.134 145 L CA 1.437 56.203 54.840 -0.124 0.000 0.807 145 L CB -0.387 41.616 42.059 -0.093 0.000 0.927 145 L HN 0.237 nan 8.230 nan 0.000 0.447 146 D N -0.091 120.295 120.400 -0.022 0.000 2.178 146 D HA -0.200 4.443 4.640 0.005 0.000 0.201 146 D C 1.717 177.977 176.300 -0.067 0.000 0.980 146 D CA 0.952 54.931 54.000 -0.035 0.000 0.842 146 D CB -0.149 40.664 40.800 0.023 0.000 0.948 146 D HN 0.184 nan 8.370 nan 0.000 0.472 147 K N 1.161 121.463 120.400 -0.163 0.000 2.062 147 K HA 0.097 4.420 4.320 0.005 0.000 0.205 147 K C 2.368 178.989 176.600 0.035 0.000 1.051 147 K CA 1.153 57.376 56.287 -0.107 0.000 0.941 147 K CB -0.838 31.243 32.500 -0.698 0.000 0.719 147 K HN 0.242 nan 8.250 nan 0.000 0.440 148 A N 2.165 124.951 122.820 -0.057 0.000 1.873 148 A HA -0.227 4.096 4.320 0.005 0.000 0.218 148 A C 2.287 180.048 177.584 0.295 0.000 1.193 148 A CA 1.817 53.909 52.037 0.092 0.000 0.629 148 A CB -0.535 18.525 19.000 0.100 0.000 0.826 148 A HN 0.285 nan 8.150 nan 0.000 0.447 149 R N -1.425 119.180 120.500 0.175 0.000 2.091 149 R HA -0.154 4.190 4.340 0.005 0.000 0.238 149 R C 2.424 178.904 176.300 0.299 0.000 1.136 149 R CA 1.567 57.779 56.100 0.186 0.000 0.959 149 R CB -0.321 29.904 30.300 -0.125 0.000 0.856 149 R HN 0.418 nan 8.270 nan 0.000 0.437 150 R N 1.424 122.056 120.500 0.219 0.000 2.120 150 R HA -0.054 4.290 4.340 0.005 0.000 0.234 150 R C 1.985 178.577 176.300 0.487 0.000 1.123 150 R CA 1.254 57.528 56.100 0.290 0.000 0.975 150 R CB -0.622 29.740 30.300 0.104 0.000 0.866 150 R HN 0.225 nan 8.270 nan 0.000 0.446 151 L N -0.284 121.231 121.223 0.486 0.000 2.191 151 L HA -0.105 4.238 4.340 0.005 0.000 0.212 151 L C 1.777 178.858 176.870 0.351 0.000 1.103 151 L CA 0.871 55.955 54.840 0.407 0.000 0.769 151 L CB -0.191 41.976 42.059 0.181 0.000 0.908 151 L HN 0.207 nan 8.230 nan 0.000 0.438 152 L N -1.796 119.656 121.223 0.382 0.000 2.509 152 L HA -0.115 4.228 4.340 0.005 0.000 0.222 152 L C 2.185 179.203 176.870 0.247 0.000 1.123 152 L CA 0.186 55.176 54.840 0.249 0.000 0.856 152 L CB -0.361 41.846 42.059 0.247 0.000 0.985 152 L HN 0.477 nan 8.230 nan 0.000 0.456 153 W N 2.991 124.443 121.300 0.254 0.000 2.335 153 W HA -0.177 4.485 4.660 0.005 0.000 0.311 153 W C -0.961 175.599 176.519 0.070 0.000 1.213 153 W CA 1.209 58.673 57.345 0.200 0.000 1.274 153 W CB -1.067 28.546 29.460 0.256 0.000 1.148 153 W HN 0.099 nan 8.180 nan 0.000 0.498 154 P HA -0.194 nan 4.420 nan 0.000 0.216 154 P C 1.719 178.810 177.300 -0.348 0.000 1.150 154 P CA 2.099 64.961 63.100 -0.397 0.000 0.837 154 P CB -0.325 31.298 31.700 -0.129 0.000 0.786 155 I N -0.890 119.578 120.570 -0.170 0.000 2.252 155 I HA -0.236 3.937 4.170 0.005 0.000 0.245 155 I C 2.374 178.420 176.117 -0.118 0.000 1.102 155 I CA 1.286 62.536 61.300 -0.083 0.000 1.385 155 I CB -0.316 37.685 38.000 0.002 0.000 1.064 155 I HN -0.129 nan 8.210 nan 0.000 0.414 156 K N 1.203 121.439 120.400 -0.274 0.000 2.063 156 K HA -0.270 4.053 4.320 0.005 0.000 0.208 156 K C 2.140 178.545 176.600 -0.325 0.000 1.048 156 K CA 1.704 57.779 56.287 -0.353 0.000 0.928 156 K CB -0.349 31.768 32.500 -0.638 0.000 0.713 156 K HN 0.303 nan 8.250 nan 0.000 0.442 157 Q N 0.336 119.703 119.800 -0.722 0.000 2.135 157 Q HA -0.237 4.106 4.340 0.005 0.000 0.204 157 Q C 2.014 177.763 176.000 -0.418 0.000 0.981 157 Q CA 1.936 57.253 55.803 -0.809 0.000 0.856 157 Q CB -0.140 27.671 28.738 -1.545 0.000 0.902 157 Q HN 0.339 nan 8.270 nan 0.000 0.425 158 K N -0.797 119.357 120.400 -0.409 0.000 2.057 158 K HA -0.172 4.151 4.320 0.005 0.000 0.207 158 K C 1.265 177.563 176.600 -0.503 0.000 1.049 158 K CA 1.548 57.553 56.287 -0.469 0.000 0.931 158 K CB -0.045 32.090 32.500 -0.609 0.000 0.714 158 K HN 0.314 nan 8.250 nan 0.000 0.440 159 Y N -0.368 119.855 120.300 -0.129 0.000 2.497 159 Y HA 0.207 4.761 4.550 0.005 0.000 0.265 159 Y C 1.436 177.324 175.900 -0.020 0.000 1.111 159 Y CA 0.187 58.246 58.100 -0.068 0.000 1.288 159 Y CB 0.581 39.004 38.460 -0.063 0.000 1.082 159 Y HN 0.347 nan 8.280 nan 0.000 0.536 160 G N 1.805 110.650 108.800 0.074 0.000 2.556 160 G HA2 -0.409 3.554 3.960 0.005 0.000 0.283 160 G HA3 -0.409 3.554 3.960 0.005 0.000 0.283 160 G C 1.172 176.177 174.900 0.174 0.000 1.177 160 G CA 0.601 45.760 45.100 0.097 0.000 0.978 160 G HN 0.457 nan 8.290 nan 0.000 0.554 161 R N 0.894 121.522 120.500 0.212 0.000 2.276 161 R HA 0.451 4.794 4.340 0.005 0.000 0.203 161 R C 2.509 179.114 176.300 0.508 0.000 1.017 161 R CA 1.678 57.973 56.100 0.325 0.000 1.010 161 R CB -0.298 30.144 30.300 0.238 0.000 0.900 161 R HN 1.056 nan 8.270 nan 0.000 0.469 162 A N 1.528 124.571 122.820 0.371 0.000 2.119 162 A HA 0.114 4.437 4.320 0.005 0.000 0.217 162 A C 1.140 178.976 177.584 0.419 0.000 1.153 162 A CA 0.489 52.727 52.037 0.336 0.000 0.692 162 A CB -0.029 19.076 19.000 0.176 0.000 0.799 162 A HN 0.443 nan 8.150 nan 0.000 0.458 163 I N 0.620 121.436 120.570 0.410 0.000 2.499 163 I HA 0.294 4.467 4.170 0.005 0.000 0.288 163 I C 0.025 176.314 176.117 0.286 0.000 1.048 163 I CA -0.726 60.849 61.300 0.459 0.000 1.062 163 I CB 1.999 40.130 38.000 0.219 0.000 1.238 163 I HN 0.205 nan 8.210 nan 0.000 0.426 164 S N 4.496 120.323 115.700 0.212 0.000 2.593 164 S HA 0.140 4.613 4.470 0.005 0.000 0.269 164 S C 0.700 175.301 174.600 0.002 0.000 1.334 164 S CA -0.299 57.858 58.200 -0.072 0.000 1.015 164 S CB 0.720 63.692 63.200 -0.381 0.000 0.912 164 S HN 0.821 nan 8.310 nan 0.000 0.541 165 W N 1.116 122.381 121.300 -0.058 0.000 2.335 165 W HA -0.125 4.538 4.660 0.005 0.000 0.311 165 W C 2.814 179.280 176.519 -0.088 0.000 1.213 165 W CA 1.435 58.738 57.345 -0.069 0.000 1.274 165 W CB -0.676 28.696 29.460 -0.147 0.000 1.148 165 W HN 0.928 nan 8.180 nan 0.000 0.498 166 A N 0.260 123.136 122.820 0.092 0.000 1.865 166 A HA -0.267 4.056 4.320 0.005 0.000 0.217 166 A C 1.676 179.275 177.584 0.025 0.000 1.191 166 A CA 2.313 54.348 52.037 -0.003 0.000 0.623 166 A CB -1.010 17.936 19.000 -0.089 0.000 0.826 166 A HN 0.200 nan 8.150 nan 0.000 0.444 167 D N -0.627 119.810 120.400 0.063 0.000 2.117 167 D HA -0.112 4.531 4.640 0.005 0.000 0.197 167 D C 1.826 178.241 176.300 0.191 0.000 0.987 167 D CA 1.156 55.265 54.000 0.182 0.000 0.829 167 D CB -0.413 40.557 40.800 0.284 0.000 0.961 167 D HN 0.315 nan 8.370 nan 0.000 0.460 168 L N 0.781 122.073 121.223 0.115 0.000 2.046 168 L HA -0.090 4.253 4.340 0.005 0.000 0.208 168 L C 2.155 179.051 176.870 0.043 0.000 1.077 168 L CA 1.310 56.168 54.840 0.030 0.000 0.747 168 L CB -0.610 41.416 42.059 -0.056 0.000 0.896 168 L HN 0.023 nan 8.230 nan 0.000 0.432 169 L N -1.212 120.079 121.223 0.113 0.000 2.046 169 L HA -0.233 4.110 4.340 0.005 0.000 0.208 169 L C 2.441 179.363 176.870 0.087 0.000 1.077 169 L CA 0.901 55.803 54.840 0.104 0.000 0.747 169 L CB -0.651 41.466 42.059 0.097 0.000 0.896 169 L HN 0.254 nan 8.230 nan 0.000 0.432 170 I N -0.438 120.191 120.570 0.097 0.000 2.353 170 I HA -0.221 3.952 4.170 0.005 0.000 0.248 170 I C 2.454 178.670 176.117 0.164 0.000 1.119 170 I CA 1.172 62.559 61.300 0.144 0.000 1.417 170 I CB -0.941 37.123 38.000 0.106 0.000 1.078 170 I HN 0.239 nan 8.210 nan 0.000 0.421 171 L N 0.815 122.042 121.223 0.006 0.000 2.056 171 L HA -0.152 4.191 4.340 0.005 0.000 0.207 171 L C 2.413 179.165 176.870 -0.196 0.000 1.078 171 L CA 1.965 56.589 54.840 -0.360 0.000 0.749 171 L CB -0.964 40.782 42.059 -0.522 0.000 0.901 171 L HN 0.135 nan 8.230 nan 0.000 0.433 172 T N -0.602 113.863 114.554 -0.147 0.000 2.788 172 T HA -0.100 4.253 4.350 0.005 0.000 0.268 172 T C 1.685 176.335 174.700 -0.084 0.000 1.044 172 T CA 1.183 63.148 62.100 -0.226 0.000 1.139 172 T CB -0.799 67.838 68.868 -0.384 0.000 0.867 172 T HN 0.599 nan 8.240 nan 0.000 0.454 173 G N 1.635 110.500 108.800 0.109 0.000 2.418 173 G HA2 -0.240 3.723 3.960 0.005 0.000 0.217 173 G HA3 -0.240 3.723 3.960 0.005 0.000 0.217 173 G C 1.624 176.621 174.900 0.161 0.000 1.158 173 G CA 0.743 46.010 45.100 0.278 0.000 0.771 173 G HN 0.393 nan 8.290 nan 0.000 0.545 174 N N 0.265 119.101 118.700 0.226 0.000 2.061 174 N HA -0.117 4.626 4.740 0.005 0.000 0.193 174 N C 2.188 177.666 175.510 -0.053 0.000 1.030 174 N CA 1.229 54.354 53.050 0.124 0.000 0.856 174 N CB -0.500 38.079 38.487 0.153 0.000 1.023 174 N HN 0.185 nan 8.380 nan 0.000 0.424 175 V N 0.627 120.463 119.914 -0.129 0.000 2.548 175 V HA -0.085 4.038 4.120 0.005 0.000 0.249 175 V C 2.168 178.132 176.094 -0.217 0.000 1.055 175 V CA 1.464 63.608 62.300 -0.260 0.000 1.065 175 V CB -0.869 30.722 31.823 -0.387 0.000 0.681 175 V HN 0.327 nan 8.190 nan 0.000 0.462 176 A N 0.065 122.823 122.820 -0.103 0.000 1.877 176 A HA -0.172 4.151 4.320 0.005 0.000 0.216 176 A C 2.209 179.699 177.584 -0.158 0.000 1.186 176 A CA 1.805 53.835 52.037 -0.012 0.000 0.620 176 A CB -0.540 18.510 19.000 0.083 0.000 0.822 176 A HN 0.469 nan 8.150 nan 0.000 0.443 177 L N -0.715 120.336 121.223 -0.288 0.000 1.971 177 L HA -0.274 4.069 4.340 0.005 0.000 0.215 177 L C 2.699 179.528 176.870 -0.069 0.000 1.072 177 L CA 2.107 56.747 54.840 -0.332 0.000 0.758 177 L CB -0.698 41.120 42.059 -0.401 0.000 0.889 177 L HN 0.480 nan 8.230 nan 0.000 0.433 178 E N -0.740 119.447 120.200 -0.022 0.000 2.085 178 E HA -0.251 4.102 4.350 0.005 0.000 0.194 178 E C 2.304 179.006 176.600 0.170 0.000 0.994 178 E CA 1.515 57.959 56.400 0.073 0.000 0.801 178 E CB -0.191 29.570 29.700 0.100 0.000 0.743 178 E HN 0.312 nan 8.360 nan 0.000 0.453 179 S N 0.183 115.985 115.700 0.169 0.000 2.383 179 S HA -0.135 4.338 4.470 0.005 0.000 0.229 179 S C 1.682 176.428 174.600 0.244 0.000 1.030 179 S CA 1.108 59.485 58.200 0.296 0.000 1.002 179 S CB -0.045 63.322 63.200 0.279 0.000 0.829 179 S HN 0.183 nan 8.310 nan 0.000 0.467 180 M N 0.187 119.872 119.600 0.141 0.000 2.493 180 M HA 0.278 4.761 4.480 0.005 0.000 0.244 180 M C 1.225 177.706 176.300 0.302 0.000 1.182 180 M CA 0.505 55.898 55.300 0.155 0.000 0.981 180 M CB 0.633 33.263 32.600 0.051 0.000 1.551 180 M HN 0.511 nan 8.290 nan 0.000 0.476 181 G N 1.207 110.154 108.800 0.244 0.000 2.163 181 G HA2 -0.257 3.706 3.960 0.005 0.000 0.213 181 G HA3 -0.257 3.706 3.960 0.005 0.000 0.213 181 G C -0.347 174.680 174.900 0.212 0.000 0.991 181 G CA -0.633 44.617 45.100 0.249 0.000 0.653 181 G HN 0.453 nan 8.290 nan 0.000 0.518 182 F N 2.064 122.001 119.950 -0.022 0.000 2.427 182 F HA 0.669 5.199 4.527 0.005 0.000 0.346 182 F C 0.358 176.007 175.800 -0.252 0.000 1.120 182 F CA -1.175 56.641 58.000 -0.306 0.000 1.033 182 F CB 1.194 39.962 39.000 -0.386 0.000 1.126 182 F HN -0.018 nan 8.300 nan 0.000 0.462 183 K N 5.506 125.442 120.400 -0.773 0.000 2.276 183 K HA 0.255 4.578 4.320 0.005 0.000 0.285 183 K C -0.257 176.026 176.600 -0.529 0.000 1.062 183 K CA -0.357 55.643 56.287 -0.479 0.000 0.918 183 K CB 0.637 32.899 32.500 -0.397 0.000 1.055 183 K HN 0.811 nan 8.250 nan 0.000 0.477 184 T N 1.147 115.593 114.554 -0.179 0.000 2.882 184 T HA 0.114 4.467 4.350 0.005 0.000 0.287 184 T C 0.925 175.642 174.700 0.030 0.000 1.014 184 T CA -0.630 61.477 62.100 0.010 0.000 1.049 184 T CB 0.556 69.517 68.868 0.156 0.000 1.001 184 T HN 0.524 nan 8.240 nan 0.000 0.525 185 F N 1.306 121.230 119.950 -0.044 0.000 2.365 185 F HA 0.331 4.860 4.527 0.005 0.000 0.300 185 F C 1.345 177.004 175.800 -0.235 0.000 1.090 185 F CA 1.301 59.216 58.000 -0.143 0.000 1.408 185 F CB -0.459 38.468 39.000 -0.121 0.000 1.060 185 F HN 1.208 nan 8.300 nan 0.000 0.534 186 G N -1.015 107.773 108.800 -0.020 0.000 2.362 186 G HA2 0.289 4.252 3.960 0.005 0.000 0.288 186 G HA3 0.289 4.252 3.960 0.005 0.000 0.288 186 G C -2.022 173.037 174.900 0.266 0.000 1.305 186 G CA -0.464 44.588 45.100 -0.081 0.000 0.910 186 G HN 0.276 nan 8.290 nan 0.000 0.518 187 F N 0.049 120.054 119.950 0.091 0.000 2.652 187 F HA 0.723 5.254 4.527 0.006 0.000 0.320 187 F C -0.716 175.190 175.800 0.176 0.000 1.115 187 F CA 0.068 58.231 58.000 0.272 0.000 1.053 187 F CB 1.232 40.370 39.000 0.229 0.000 1.297 187 F HN 1.469 nan 8.300 nan 0.000 0.471 188 A N 3.715 126.159 122.820 -0.627 0.000 2.331 188 A HA 0.818 5.141 4.320 0.005 0.000 0.320 188 A C -0.075 176.828 177.584 -1.136 0.000 1.138 188 A CA -0.157 51.475 52.037 -0.676 0.000 0.790 188 A CB 0.919 19.445 19.000 -0.790 0.000 1.206 188 A HN 1.330 nan 8.150 nan 0.000 0.470 189 G N -0.359 107.972 108.800 -0.783 0.000 2.557 189 G HA2 0.557 4.520 3.960 0.005 0.000 0.292 189 G HA3 0.557 4.520 3.960 0.005 0.000 0.292 189 G C 0.826 175.272 174.900 -0.757 0.000 1.237 189 G CA -0.080 44.423 45.100 -0.995 0.000 0.978 189 G HN 2.139 nan 8.290 nan 0.000 0.498 190 G N -1.450 107.004 108.800 -0.577 0.000 2.273 190 G HA2 -0.174 3.789 3.960 0.005 0.000 0.162 190 G HA3 -0.174 3.789 3.960 0.005 0.000 0.162 190 G C 0.396 175.323 174.900 0.046 0.000 1.006 190 G CA -0.415 44.567 45.100 -0.197 0.000 0.704 190 G HN 0.706 nan 8.290 nan 0.000 0.487 191 R N 1.291 121.794 120.500 0.005 0.000 2.272 191 R HA 0.578 4.922 4.340 0.005 0.000 0.334 191 R C 0.887 177.118 176.300 -0.116 0.000 1.117 191 R CA 0.480 56.548 56.100 -0.054 0.000 0.966 191 R CB 0.845 31.074 30.300 -0.119 0.000 1.049 191 R HN 0.454 nan 8.270 nan 0.000 0.477 192 A N 3.195 125.969 122.820 -0.076 0.000 2.462 192 A HA 0.040 4.363 4.320 0.005 0.000 0.243 192 A C 0.006 177.440 177.584 -0.249 0.000 1.076 192 A CA -0.379 51.519 52.037 -0.233 0.000 0.773 192 A CB 0.286 19.319 19.000 0.056 0.000 1.010 192 A HN 0.558 nan 8.150 nan 0.000 0.493 193 D N 0.532 120.741 120.400 -0.320 0.000 2.368 193 D HA 0.402 5.046 4.640 0.005 0.000 0.240 193 D C 0.841 176.854 176.300 -0.479 0.000 1.169 193 D CA 0.951 54.718 54.000 -0.389 0.000 0.906 193 D CB 0.951 41.439 40.800 -0.521 0.000 1.187 193 D HN 0.707 nan 8.370 nan 0.000 0.435 194 T N -2.440 111.772 114.554 -0.569 0.000 2.940 194 T HA 0.532 4.886 4.350 0.005 0.000 0.288 194 T C 0.060 174.308 174.700 -0.753 0.000 1.045 194 T CA -0.807 60.999 62.100 -0.490 0.000 1.018 194 T CB 1.179 69.955 68.868 -0.154 0.000 1.151 194 T HN 0.544 nan 8.240 nan 0.000 0.529 195 W N 0.140 121.494 121.300 0.090 0.000 2.534 195 W HA 0.333 4.996 4.660 0.005 0.000 0.339 195 W C 0.524 176.769 176.519 -0.457 0.000 0.961 195 W CA -0.667 56.662 57.345 -0.026 0.000 1.545 195 W CB 0.666 30.156 29.460 0.049 0.000 1.104 195 W HN 0.958 nan 8.180 nan 0.000 0.538 196 E N -0.232 119.664 120.200 -0.506 0.000 2.445 196 E HA 0.375 4.728 4.350 0.005 0.000 0.279 196 E C -2.884 173.354 176.600 -0.603 0.000 1.018 196 E CA -2.528 53.467 56.400 -0.676 0.000 0.816 196 E CB 1.785 31.296 29.700 -0.315 0.000 1.356 196 E HN -0.387 nan 8.360 nan 0.000 0.462 197 P HA 0.034 nan 4.420 nan 0.000 0.267 197 P C -0.429 176.890 177.300 0.032 0.000 1.205 197 P CA 0.191 63.218 63.100 -0.122 0.000 0.765 197 P CB 0.448 32.130 31.700 -0.030 0.000 0.828 198 E N 2.099 122.377 120.200 0.129 0.000 2.418 198 E HA 0.017 4.370 4.350 0.005 0.000 0.261 198 E C -0.113 176.544 176.600 0.096 0.000 1.070 198 E CA 0.507 57.001 56.400 0.157 0.000 0.931 198 E CB 0.405 30.160 29.700 0.093 0.000 0.954 198 E HN 0.396 nan 8.360 nan 0.000 0.439 199 D N 1.819 122.254 120.400 0.059 0.000 2.428 199 D HA 0.219 4.862 4.640 0.005 0.000 0.221 199 D C -0.628 175.626 176.300 -0.077 0.000 1.123 199 D CA -0.159 53.847 54.000 0.010 0.000 0.869 199 D CB 1.094 41.897 40.800 0.006 0.000 1.032 199 D HN -0.040 nan 8.370 nan 0.000 0.506 200 V N 3.031 122.835 119.914 -0.184 0.000 2.656 200 V HA 0.102 4.225 4.120 0.005 0.000 0.307 200 V C -0.495 175.274 176.094 -0.542 0.000 1.051 200 V CA -1.071 60.925 62.300 -0.506 0.000 0.893 200 V CB 2.006 33.236 31.823 -0.988 0.000 0.999 200 V HN 0.403 nan 8.190 nan 0.000 0.426 201 Y N 3.211 123.227 120.300 -0.474 0.000 2.637 201 Y HA 0.141 4.694 4.550 0.005 0.000 0.350 201 Y C 0.341 176.032 175.900 -0.347 0.000 1.069 201 Y CA -0.216 57.703 58.100 -0.301 0.000 1.397 201 Y CB 0.412 38.758 38.460 -0.190 0.000 1.163 201 Y HN 0.778 nan 8.280 nan 0.000 0.527 202 W N 4.356 125.434 121.300 -0.369 0.000 3.278 202 W HA 0.435 5.098 4.660 0.005 0.000 0.308 202 W C 0.881 177.069 176.519 -0.553 0.000 1.253 202 W CA 0.453 57.637 57.345 -0.268 0.000 1.759 202 W CB 0.469 29.962 29.460 0.054 0.000 1.093 202 W HN 0.963 nan 8.180 nan 0.000 0.648 203 G N -0.501 107.689 108.800 -1.016 0.000 2.355 203 G HA2 -0.083 3.880 3.960 0.005 0.000 0.619 203 G HA3 -0.083 3.880 3.960 0.005 0.000 0.619 203 G C 0.049 174.672 174.900 -0.462 0.000 1.337 203 G CA -0.300 44.334 45.100 -0.778 0.000 0.993 203 G HN -0.193 nan 8.290 nan 0.000 0.599 204 S N -0.287 115.334 115.700 -0.131 0.000 2.539 204 S HA 0.255 4.728 4.470 0.005 0.000 0.221 204 S C 0.573 175.133 174.600 -0.066 0.000 0.987 204 S CA 0.275 58.471 58.200 -0.006 0.000 0.929 204 S CB 0.389 63.653 63.200 0.107 0.000 0.832 204 S HN 0.610 nan 8.310 nan 0.000 0.492 205 E N 1.977 122.109 120.200 -0.115 0.000 2.415 205 E HA 0.122 4.475 4.350 0.005 0.000 0.262 205 E C 0.637 177.122 176.600 -0.192 0.000 1.038 205 E CA 0.163 56.485 56.400 -0.129 0.000 0.921 205 E CB 0.415 30.034 29.700 -0.135 0.000 0.950 205 E HN -0.111 nan 8.360 nan 0.000 0.438 206 K N 1.521 121.820 120.400 -0.168 0.000 2.358 206 K HA 0.304 4.627 4.320 0.005 0.000 0.200 206 K C -0.117 176.336 176.600 -0.245 0.000 1.030 206 K CA 0.090 56.257 56.287 -0.201 0.000 1.097 206 K CB 0.287 32.714 32.500 -0.123 0.000 0.862 206 K HN 0.416 nan 8.250 nan 0.000 0.534 207 I N 0.192 120.622 120.570 -0.234 0.000 2.465 207 I HA 0.273 4.446 4.170 0.005 0.000 0.291 207 I C -0.469 175.513 176.117 -0.225 0.000 1.014 207 I CA -1.126 60.062 61.300 -0.188 0.000 1.093 207 I CB 1.354 39.316 38.000 -0.064 0.000 1.267 207 I HN -0.067 nan 8.210 nan 0.000 0.431 208 W N 6.920 128.194 121.300 -0.042 0.000 2.343 208 W HA 0.160 4.822 4.660 0.005 0.000 0.337 208 W C 0.923 177.400 176.519 -0.069 0.000 1.320 208 W CA 0.027 57.329 57.345 -0.071 0.000 1.290 208 W CB 0.156 29.593 29.460 -0.037 0.000 1.206 208 W HN 0.474 nan 8.180 nan 0.000 0.565 209 L N 0.831 122.154 121.223 0.166 0.000 4.496 209 L HA -0.289 4.054 4.340 0.005 0.000 0.419 209 L C 0.779 177.677 176.870 0.045 0.000 1.139 209 L CA 0.230 55.118 54.840 0.081 0.000 0.975 209 L CB -1.823 40.294 42.059 0.096 0.000 2.099 209 L HN 0.549 nan 8.230 nan 0.000 0.818 210 E N 1.340 121.550 120.200 0.017 0.000 2.502 210 E HA 0.164 4.517 4.350 0.005 0.000 0.261 210 E C 0.319 176.939 176.600 0.034 0.000 0.974 210 E CA -0.071 56.337 56.400 0.014 0.000 0.936 210 E CB 0.527 30.217 29.700 -0.016 0.000 0.926 210 E HN 0.238 nan 8.360 nan 0.000 0.459 211 L N 2.784 124.031 121.223 0.040 0.000 2.466 211 L HA 0.114 4.457 4.340 0.005 0.000 0.257 211 L C 0.914 177.822 176.870 0.063 0.000 1.189 211 L CA -0.596 54.275 54.840 0.051 0.000 0.813 211 L CB 0.707 42.790 42.059 0.040 0.000 1.118 211 L HN 0.602 nan 8.230 nan 0.000 0.471 212 S N -0.074 115.672 115.700 0.076 0.000 2.576 212 S HA 0.359 4.832 4.470 0.005 0.000 0.272 212 S C 0.969 175.614 174.600 0.075 0.000 1.352 212 S CA -0.025 58.245 58.200 0.117 0.000 1.021 212 S CB 1.096 64.352 63.200 0.093 0.000 0.887 212 S HN 1.125 nan 8.310 nan 0.000 0.542 213 G N 0.652 109.508 108.800 0.094 0.000 2.157 213 G HA2 -0.054 3.909 3.960 0.005 0.000 0.239 213 G HA3 -0.054 3.909 3.960 0.005 0.000 0.239 213 G C 0.525 175.453 174.900 0.047 0.000 0.982 213 G CA 0.090 45.228 45.100 0.065 0.000 0.650 213 G HN 1.344 nan 8.290 nan 0.000 0.527 214 G N 0.080 108.906 108.800 0.043 0.000 2.535 214 G HA2 0.596 4.559 3.960 0.005 0.000 0.282 214 G HA3 0.596 4.559 3.960 0.005 0.000 0.282 214 G C -0.271 174.643 174.900 0.024 0.000 1.350 214 G CA -0.008 45.108 45.100 0.026 0.000 1.039 214 G HN 0.106 nan 8.290 nan 0.000 0.509 215 P HA 0.006 nan 4.420 nan 0.000 0.230 215 P C 0.347 177.656 177.300 0.015 0.000 1.158 215 P CA 0.772 63.879 63.100 0.013 0.000 0.769 215 P CB 0.367 32.069 31.700 0.004 0.000 0.807 216 N N -0.739 117.969 118.700 0.013 0.000 2.433 216 N HA 0.039 4.782 4.740 0.005 0.000 0.270 216 N C -0.195 175.329 175.510 0.023 0.000 1.354 216 N CA -0.025 53.035 53.050 0.016 0.000 0.889 216 N CB 0.443 38.927 38.487 -0.004 0.000 1.285 216 N HN -0.052 nan 8.380 nan 0.000 0.503 217 S N 1.091 116.813 115.700 0.038 0.000 2.552 217 S HA -0.020 4.453 4.470 0.005 0.000 0.289 217 S C 1.520 176.146 174.600 0.043 0.000 1.304 217 S CA -0.136 58.101 58.200 0.061 0.000 1.063 217 S CB 0.597 63.850 63.200 0.089 0.000 0.848 217 S HN 0.440 nan 8.310 nan 0.000 0.499 218 R N 3.162 123.669 120.500 0.011 0.000 2.310 218 R HA 0.152 4.496 4.340 0.005 0.000 0.202 218 R C -0.518 175.625 176.300 -0.261 0.000 0.933 218 R CA 0.189 56.221 56.100 -0.114 0.000 1.054 218 R CB -0.112 30.072 30.300 -0.194 0.000 0.985 218 R HN 0.561 nan 8.270 nan 0.000 0.489 219 Y N 1.088 121.412 120.300 0.039 0.000 2.409 219 Y HA 0.408 4.961 4.550 0.005 0.000 0.339 219 Y C 0.325 176.247 175.900 0.035 0.000 1.033 219 Y CA -0.418 57.705 58.100 0.039 0.000 1.094 219 Y CB 2.152 40.635 38.460 0.038 0.000 1.210 219 Y HN 0.130 nan 8.280 nan 0.000 0.456 220 S N 0.426 116.246 115.700 0.201 0.000 2.671 220 S HA 0.865 5.338 4.470 0.005 0.000 0.277 220 S C 0.028 174.702 174.600 0.123 0.000 1.165 220 S CA -0.397 57.882 58.200 0.131 0.000 0.822 220 S CB 1.423 64.672 63.200 0.082 0.000 1.150 220 S HN 1.506 nan 8.310 nan 0.000 0.479 221 G N 1.474 110.324 108.800 0.084 0.000 2.550 221 G HA2 -0.256 3.707 3.960 0.005 0.000 0.277 221 G HA3 -0.256 3.707 3.960 0.005 0.000 0.277 221 G C -0.239 174.703 174.900 0.069 0.000 1.190 221 G CA 0.616 45.757 45.100 0.068 0.000 0.971 221 G HN 1.192 nan 8.290 nan 0.000 0.559 222 D N 1.279 121.718 120.400 0.065 0.000 2.934 222 D HA 0.360 5.003 4.640 0.005 0.000 0.237 222 D C 1.208 177.549 176.300 0.068 0.000 1.158 222 D CA 0.449 54.481 54.000 0.053 0.000 0.971 222 D CB -0.789 40.037 40.800 0.044 0.000 1.123 222 D HN 0.752 nan 8.370 nan 0.000 0.467 223 R N 1.141 121.688 120.500 0.079 0.000 3.264 223 R HA -0.186 4.157 4.340 0.005 0.000 0.251 223 R C -0.826 175.648 176.300 0.289 0.000 0.971 223 R CA 0.373 56.533 56.100 0.099 0.000 0.658 223 R CB -0.888 29.363 30.300 -0.081 0.000 1.095 223 R HN 0.343 nan 8.270 nan 0.000 0.443 224 Q N 1.240 121.219 119.800 0.299 0.000 2.274 224 Q HA 0.189 4.532 4.340 0.005 0.000 0.256 224 Q C -0.101 176.000 176.000 0.168 0.000 0.927 224 Q CA -0.608 55.331 55.803 0.226 0.000 0.939 224 Q CB 1.468 30.278 28.738 0.120 0.000 1.201 224 Q HN 0.305 nan 8.270 nan 0.000 0.426 225 L N 3.130 124.371 121.223 0.030 0.000 2.331 225 L HA 0.147 4.490 4.340 0.005 0.000 0.278 225 L C 0.246 177.025 176.870 -0.152 0.000 1.106 225 L CA -0.041 54.602 54.840 -0.330 0.000 0.824 225 L CB 0.624 42.530 42.059 -0.255 0.000 1.142 225 L HN 0.549 nan 8.230 nan 0.000 0.443 226 E N 3.205 123.305 120.200 -0.167 0.000 2.376 226 E HA 0.078 4.431 4.350 0.005 0.000 0.266 226 E C -0.630 175.949 176.600 -0.036 0.000 1.009 226 E CA -0.154 56.210 56.400 -0.061 0.000 0.902 226 E CB 0.050 29.735 29.700 -0.024 0.000 0.972 226 E HN 0.691 nan 8.360 nan 0.000 0.439 227 N N 3.549 122.228 118.700 -0.035 0.000 2.479 227 N HA 0.020 4.763 4.740 0.005 0.000 0.257 227 N C -1.664 173.825 175.510 -0.035 0.000 1.232 227 N CA -1.096 51.928 53.050 -0.043 0.000 0.920 227 N CB 0.623 39.066 38.487 -0.073 0.000 1.105 227 N HN 0.570 nan 8.380 nan 0.000 0.444 228 P HA 0.116 nan 4.420 nan 0.000 0.254 228 P C -0.561 176.739 177.300 0.000 0.000 1.494 228 P CA 0.199 63.279 63.100 -0.034 0.000 0.961 228 P CB 0.290 31.952 31.700 -0.064 0.000 1.493 229 L N 0.166 121.408 121.223 0.031 0.000 2.418 229 L HA 0.507 4.850 4.340 0.005 0.000 0.265 229 L C 1.145 178.038 176.870 0.038 0.000 1.143 229 L CA -0.453 54.413 54.840 0.043 0.000 0.809 229 L CB 0.865 42.934 42.059 0.015 0.000 1.124 229 L HN -0.074 nan 8.230 nan 0.000 0.456 230 A N 1.581 124.453 122.820 0.087 0.000 2.592 230 A HA 0.696 5.019 4.320 0.005 0.000 0.290 230 A C -0.016 177.680 177.584 0.185 0.000 0.998 230 A CA 0.159 52.272 52.037 0.126 0.000 0.983 230 A CB 0.404 19.478 19.000 0.124 0.000 1.240 230 A HN 0.672 nan 8.150 nan 0.000 0.535 231 A N -0.584 122.309 122.820 0.122 0.000 2.498 231 A HA 0.631 4.954 4.320 0.005 0.000 0.298 231 A C 0.845 178.484 177.584 0.092 0.000 1.075 231 A CA 0.211 52.315 52.037 0.113 0.000 0.714 231 A CB 0.889 19.885 19.000 -0.008 0.000 1.299 231 A HN 1.178 nan 8.150 nan 0.000 0.407 232 V N -1.889 118.121 119.914 0.161 0.000 3.129 232 V HA 0.228 4.351 4.120 0.005 0.000 0.259 232 V C 0.360 176.574 176.094 0.199 0.000 1.116 232 V CA 1.277 63.738 62.300 0.270 0.000 1.127 232 V CB -1.027 30.972 31.823 0.293 0.000 0.742 232 V HN 0.715 nan 8.190 nan 0.000 0.474 233 Q N -0.145 119.691 119.800 0.060 0.000 2.391 233 Q HA 0.512 4.855 4.340 0.005 0.000 0.279 233 Q C -1.185 174.738 176.000 -0.129 0.000 1.028 233 Q CA -0.925 54.882 55.803 0.006 0.000 0.836 233 Q CB 2.394 31.151 28.738 0.031 0.000 1.414 233 Q HN 0.333 nan 8.270 nan 0.000 0.397 234 M N 1.388 120.898 119.600 -0.149 0.000 2.356 234 M HA 0.300 4.783 4.480 0.005 0.000 0.348 234 M C 0.801 176.932 176.300 -0.282 0.000 1.595 234 M CA 1.895 57.035 55.300 -0.267 0.000 1.095 234 M CB -0.519 31.928 32.600 -0.253 0.000 1.963 234 M HN 0.852 nan 8.290 nan 0.000 0.459 235 G N 3.798 112.115 108.800 -0.805 0.000 2.179 235 G HA2 -0.158 3.805 3.960 0.005 0.000 0.220 235 G HA3 -0.158 3.805 3.960 0.005 0.000 0.220 235 G C -0.199 174.234 174.900 -0.778 0.000 0.990 235 G CA 0.042 44.519 45.100 -1.040 0.000 0.646 235 G HN 0.692 nan 8.290 nan 0.000 0.517 236 L N 1.082 121.956 121.223 -0.582 0.000 2.375 236 L HA 0.496 4.839 4.340 0.005 0.000 0.268 236 L C 1.792 178.478 176.870 -0.306 0.000 1.058 236 L CA -1.402 53.265 54.840 -0.289 0.000 0.803 236 L CB 0.750 42.749 42.059 -0.100 0.000 1.212 236 L HN -0.144 nan 8.230 nan 0.000 0.451 237 I N 0.132 120.556 120.570 -0.243 0.000 2.206 237 I HA -0.156 4.017 4.170 0.005 0.000 0.239 237 I C 1.320 177.124 176.117 -0.521 0.000 1.078 237 I CA 2.033 63.048 61.300 -0.474 0.000 1.367 237 I CB -0.523 36.948 38.000 -0.881 0.000 1.078 237 I HN 0.633 nan 8.210 nan 0.000 0.413 238 Y N -0.505 119.847 120.300 0.085 0.000 3.224 238 Y HA 0.258 4.811 4.550 0.005 0.000 0.184 238 Y C 0.726 176.734 175.900 0.180 0.000 0.891 238 Y CA -0.304 57.885 58.100 0.148 0.000 1.736 238 Y CB 0.018 38.623 38.460 0.241 0.000 1.411 238 Y HN -0.128 nan 8.280 nan 0.000 0.402 239 V N -1.099 119.069 119.914 0.424 0.000 3.158 239 V HA 0.519 4.642 4.120 0.005 0.000 0.315 239 V C -0.827 175.416 176.094 0.247 0.000 1.148 239 V CA -1.158 61.327 62.300 0.309 0.000 1.042 239 V CB 1.723 33.737 31.823 0.318 0.000 1.101 239 V HN 0.318 nan 8.190 nan 0.000 0.448 240 N N 2.465 121.285 118.700 0.200 0.000 2.422 240 N HA 0.392 5.135 4.740 0.005 0.000 0.264 240 N C -1.443 174.185 175.510 0.196 0.000 1.063 240 N CA -1.984 51.169 53.050 0.173 0.000 0.959 240 N CB 1.613 40.183 38.487 0.138 0.000 1.087 240 N HN 0.613 nan 8.380 nan 0.000 0.483 241 P HA -0.113 nan 4.420 nan 0.000 0.221 241 P C 0.340 177.768 177.300 0.214 0.000 1.145 241 P CA 1.281 64.516 63.100 0.226 0.000 0.795 241 P CB 0.504 32.343 31.700 0.232 0.000 0.775 242 E N -0.371 119.945 120.200 0.193 0.000 2.285 242 E HA 0.218 4.571 4.350 0.005 0.000 0.194 242 E C 1.058 177.793 176.600 0.225 0.000 0.997 242 E CA 0.527 57.062 56.400 0.225 0.000 0.845 242 E CB -0.051 29.779 29.700 0.216 0.000 0.782 242 E HN 0.289 nan 8.360 nan 0.000 0.491 243 G N 0.945 109.855 108.800 0.183 0.000 2.347 243 G HA2 -0.078 3.886 3.960 0.005 0.000 0.477 243 G HA3 -0.078 3.886 3.960 0.005 0.000 0.477 243 G C -3.115 171.853 174.900 0.113 0.000 1.349 243 G CA -1.321 43.866 45.100 0.146 0.000 1.000 243 G HN -0.220 nan 8.290 nan 0.000 0.605 244 P HA 0.315 nan 4.420 nan 0.000 0.267 244 P C -0.250 177.071 177.300 0.035 0.000 1.209 244 P CA 0.674 63.801 63.100 0.045 0.000 0.763 244 P CB 0.425 32.127 31.700 0.003 0.000 0.816 245 D N 3.324 123.747 120.400 0.039 0.000 2.911 245 D HA -0.196 4.447 4.640 0.005 0.000 0.227 245 D C 1.130 177.469 176.300 0.065 0.000 1.164 245 D CA 1.979 56.003 54.000 0.040 0.000 0.782 245 D CB -1.568 39.236 40.800 0.007 0.000 1.094 245 D HN 0.791 nan 8.370 nan 0.000 0.425 246 G N -0.602 108.254 108.800 0.094 0.000 2.159 246 G HA2 -0.323 3.640 3.960 0.005 0.000 0.256 246 G HA3 -0.323 3.640 3.960 0.005 0.000 0.256 246 G C 0.042 175.041 174.900 0.164 0.000 0.977 246 G CA 0.181 45.365 45.100 0.140 0.000 0.652 246 G HN 0.417 nan 8.290 nan 0.000 0.531 247 N N 1.537 120.291 118.700 0.090 0.000 2.419 247 N HA 0.406 5.149 4.740 0.005 0.000 0.264 247 N C -2.607 172.920 175.510 0.029 0.000 1.031 247 N CA -1.222 51.849 53.050 0.033 0.000 0.951 247 N CB 1.946 40.443 38.487 0.016 0.000 1.101 247 N HN 0.119 nan 8.380 nan 0.000 0.488 248 P HA 0.109 nan 4.420 nan 0.000 0.219 248 P C -0.831 176.579 177.300 0.184 0.000 1.832 248 P CA -0.149 62.996 63.100 0.075 0.000 1.014 248 P CB -0.073 31.560 31.700 -0.113 0.000 1.939 249 D N 2.489 122.954 120.400 0.109 0.000 2.454 249 D HA 0.206 4.849 4.640 0.005 0.000 0.225 249 D C -1.702 174.621 176.300 0.038 0.000 1.081 249 D CA -2.471 51.568 54.000 0.064 0.000 0.864 249 D CB 1.503 42.321 40.800 0.029 0.000 1.040 249 D HN -0.005 nan 8.370 nan 0.000 0.517 250 P HA -0.100 nan 4.420 nan 0.000 0.222 250 P C 1.506 178.821 177.300 0.025 0.000 1.147 250 P CA 0.350 63.428 63.100 -0.036 0.000 0.790 250 P CB 0.559 32.165 31.700 -0.157 0.000 0.780 251 V N 0.217 120.139 119.914 0.013 0.000 2.323 251 V HA -0.175 3.948 4.120 0.005 0.000 0.244 251 V C 2.503 178.616 176.094 0.031 0.000 1.041 251 V CA 2.051 64.373 62.300 0.037 0.000 1.025 251 V CB -1.630 30.208 31.823 0.025 0.000 0.656 251 V HN 0.089 nan 8.190 nan 0.000 0.451 252 A N 0.180 123.015 122.820 0.025 0.000 1.908 252 A HA -0.168 4.155 4.320 0.005 0.000 0.218 252 A C 2.407 180.020 177.584 0.048 0.000 1.181 252 A CA 2.215 54.268 52.037 0.026 0.000 0.627 252 A CB -0.775 18.235 19.000 0.017 0.000 0.818 252 A HN 0.571 nan 8.150 nan 0.000 0.445 253 A N -0.189 122.670 122.820 0.065 0.000 1.933 253 A HA 0.173 4.496 4.320 0.005 0.000 0.218 253 A C 2.499 180.153 177.584 0.117 0.000 1.175 253 A CA 1.989 54.083 52.037 0.096 0.000 0.628 253 A CB -1.025 18.038 19.000 0.105 0.000 0.814 253 A HN 1.125 nan 8.150 nan 0.000 0.444 254 A N -0.243 122.647 122.820 0.115 0.000 1.948 254 A HA -0.233 4.090 4.320 0.005 0.000 0.220 254 A C 2.232 179.879 177.584 0.105 0.000 1.177 254 A CA 1.875 54.010 52.037 0.163 0.000 0.636 254 A CB -0.549 18.522 19.000 0.118 0.000 0.815 254 A HN 0.570 nan 8.150 nan 0.000 0.449 255 R N -0.542 119.993 120.500 0.059 0.000 2.083 255 R HA -0.192 4.151 4.340 0.005 0.000 0.237 255 R C 1.471 177.834 176.300 0.104 0.000 1.137 255 R CA 2.018 58.148 56.100 0.051 0.000 0.951 255 R CB -0.330 29.991 30.300 0.035 0.000 0.851 255 R HN 0.468 nan 8.270 nan 0.000 0.434 256 D N 0.063 120.539 120.400 0.127 0.000 2.144 256 D HA -0.093 4.550 4.640 0.005 0.000 0.200 256 D C 1.892 178.329 176.300 0.228 0.000 0.978 256 D CA 1.004 55.111 54.000 0.179 0.000 0.833 256 D CB -0.066 40.839 40.800 0.176 0.000 0.961 256 D HN 0.286 nan 8.370 nan 0.000 0.470 257 I N 0.450 121.153 120.570 0.221 0.000 2.179 257 I HA -0.248 3.925 4.170 0.005 0.000 0.242 257 I C 2.560 178.836 176.117 0.266 0.000 1.088 257 I CA 0.933 62.380 61.300 0.245 0.000 1.357 257 I CB -0.118 37.953 38.000 0.118 0.000 1.051 257 I HN -0.079 nan 8.210 nan 0.000 0.409 258 R N 0.809 121.448 120.500 0.231 0.000 2.091 258 R HA -0.256 4.087 4.340 0.005 0.000 0.238 258 R C 2.007 178.423 176.300 0.192 0.000 1.136 258 R CA 2.357 58.581 56.100 0.206 0.000 0.959 258 R CB -0.248 30.096 30.300 0.073 0.000 0.856 258 R HN 0.365 nan 8.270 nan 0.000 0.437 259 D N -0.842 119.665 120.400 0.180 0.000 2.103 259 D HA -0.117 4.526 4.640 0.005 0.000 0.199 259 D C 1.795 178.206 176.300 0.185 0.000 0.978 259 D CA 2.094 56.192 54.000 0.163 0.000 0.829 259 D CB -0.136 40.759 40.800 0.158 0.000 0.981 259 D HN 0.362 nan 8.370 nan 0.000 0.464 260 T N -1.993 112.701 114.554 0.233 0.000 2.777 260 T HA -0.135 4.218 4.350 0.005 0.000 0.266 260 T C 2.018 176.784 174.700 0.111 0.000 1.040 260 T CA 0.839 63.071 62.100 0.219 0.000 1.141 260 T CB -0.954 68.103 68.868 0.315 0.000 0.868 260 T HN 0.073 nan 8.240 nan 0.000 0.444 261 F N 2.370 122.272 119.950 -0.080 0.000 2.171 261 F HA 0.213 4.743 4.527 0.004 0.000 0.300 261 F C 2.937 178.723 175.800 -0.025 0.000 1.090 261 F CA 0.551 58.446 58.000 -0.175 0.000 1.293 261 F CB -0.936 37.955 39.000 -0.181 0.000 1.013 261 F HN 0.261 nan 8.300 nan 0.000 0.486 262 A N 0.073 123.013 122.820 0.200 0.000 1.908 262 A HA -0.206 4.117 4.320 0.005 0.000 0.218 262 A C 2.198 179.843 177.584 0.102 0.000 1.181 262 A CA 1.553 53.675 52.037 0.141 0.000 0.627 262 A CB -0.661 18.412 19.000 0.122 0.000 0.818 262 A HN 0.332 nan 8.150 nan 0.000 0.445 263 R N -0.987 119.567 120.500 0.090 0.000 2.339 263 R HA 0.144 4.487 4.340 0.005 0.000 0.199 263 R C 0.844 177.165 176.300 0.036 0.000 1.018 263 R CA 0.745 56.877 56.100 0.054 0.000 1.036 263 R CB -0.131 30.206 30.300 0.061 0.000 0.899 263 R HN 0.529 nan 8.270 nan 0.000 0.473 264 M N -0.789 118.853 119.600 0.070 0.000 2.484 264 M HA 0.288 4.771 4.480 0.005 0.000 0.307 264 M C 0.269 176.693 176.300 0.207 0.000 1.149 264 M CA -0.089 55.303 55.300 0.153 0.000 0.972 264 M CB 1.278 33.980 32.600 0.170 0.000 1.400 264 M HN 0.136 nan 8.290 nan 0.000 0.508 265 A N 0.355 123.264 122.820 0.149 0.000 3.141 265 A HA -0.129 4.194 4.320 0.005 0.000 0.242 265 A C 0.013 177.656 177.584 0.098 0.000 1.313 265 A CA 0.720 52.839 52.037 0.137 0.000 1.060 265 A CB -1.431 17.670 19.000 0.169 0.000 1.153 265 A HN 0.457 nan 8.150 nan 0.000 0.847 266 M N 1.012 120.688 119.600 0.127 0.000 2.294 266 M HA 0.400 4.883 4.480 0.005 0.000 0.335 266 M C 0.476 176.876 176.300 0.168 0.000 1.079 266 M CA -0.745 54.647 55.300 0.153 0.000 0.982 266 M CB 1.232 33.994 32.600 0.269 0.000 1.651 266 M HN 0.683 nan 8.290 nan 0.000 0.437 267 N N 1.408 120.192 118.700 0.141 0.000 2.431 267 N HA 0.193 4.936 4.740 0.005 0.000 0.289 267 N C 0.168 175.765 175.510 0.146 0.000 1.277 267 N CA -0.203 52.928 53.050 0.135 0.000 0.972 267 N CB 0.387 38.944 38.487 0.118 0.000 1.143 267 N HN 0.363 nan 8.380 nan 0.000 0.578 268 D N -0.622 119.871 120.400 0.154 0.000 2.097 268 D HA -0.169 4.474 4.640 0.005 0.000 0.195 268 D C 1.393 177.780 176.300 0.146 0.000 0.989 268 D CA 1.318 55.458 54.000 0.233 0.000 0.827 268 D CB -0.302 40.627 40.800 0.215 0.000 0.966 268 D HN 0.790 nan 8.370 nan 0.000 0.456 269 E N 0.498 120.774 120.200 0.125 0.000 2.085 269 E HA -0.218 4.135 4.350 0.005 0.000 0.194 269 E C 1.718 178.460 176.600 0.238 0.000 0.994 269 E CA 1.089 57.583 56.400 0.156 0.000 0.801 269 E CB 0.098 29.905 29.700 0.177 0.000 0.743 269 E HN 0.333 nan 8.360 nan 0.000 0.453 270 E N -0.591 119.717 120.200 0.181 0.000 2.106 270 E HA -0.123 4.230 4.350 0.005 0.000 0.192 270 E C 2.085 178.750 176.600 0.108 0.000 0.984 270 E CA 1.477 57.983 56.400 0.177 0.000 0.806 270 E CB 0.033 29.821 29.700 0.145 0.000 0.750 270 E HN 0.212 nan 8.360 nan 0.000 0.458 271 T N 0.646 115.192 114.554 -0.014 0.000 2.708 271 T HA -0.122 4.231 4.350 0.005 0.000 0.266 271 T C 2.093 176.526 174.700 -0.445 0.000 1.037 271 T CA 1.091 62.976 62.100 -0.358 0.000 1.146 271 T CB -0.174 68.375 68.868 -0.531 0.000 0.865 271 T HN -0.024 nan 8.240 nan 0.000 0.435 272 V N 1.678 121.405 119.914 -0.310 0.000 2.358 272 V HA -0.137 3.986 4.120 0.005 0.000 0.246 272 V C 2.872 178.990 176.094 0.041 0.000 1.047 272 V CA 1.655 63.815 62.300 -0.234 0.000 1.035 272 V CB -1.179 30.596 31.823 -0.080 0.000 0.658 272 V HN 0.519 nan 8.190 nan 0.000 0.452 273 A N -0.402 122.597 122.820 0.299 0.000 1.902 273 A HA -0.134 4.190 4.320 0.005 0.000 0.217 273 A C 2.231 179.859 177.584 0.074 0.000 1.181 273 A CA 1.689 53.944 52.037 0.364 0.000 0.623 273 A CB -0.484 18.748 19.000 0.387 0.000 0.818 273 A HN 0.490 nan 8.150 nan 0.000 0.443 274 L N -0.749 120.490 121.223 0.027 0.000 2.056 274 L HA -0.134 4.209 4.340 0.005 0.000 0.207 274 L C 2.483 179.094 176.870 -0.431 0.000 1.078 274 L CA 1.170 55.994 54.840 -0.027 0.000 0.749 274 L CB -0.390 41.715 42.059 0.076 0.000 0.901 274 L HN 0.378 nan 8.230 nan 0.000 0.433 275 I N -0.437 119.800 120.570 -0.555 0.000 2.202 275 I HA -0.248 3.925 4.170 0.005 0.000 0.242 275 I C 2.723 178.174 176.117 -1.110 0.000 1.091 275 I CA 1.197 62.000 61.300 -0.828 0.000 1.368 275 I CB -0.393 37.164 38.000 -0.740 0.000 1.058 275 I HN 0.176 nan 8.210 nan 0.000 0.410 276 A N 0.779 122.979 122.820 -1.032 0.000 1.929 276 A HA -0.040 4.283 4.320 0.005 0.000 0.216 276 A C 2.411 179.365 177.584 -1.051 0.000 1.176 276 A CA 1.565 52.644 52.037 -1.597 0.000 0.628 276 A CB -1.350 16.769 19.000 -1.469 0.000 0.816 276 A HN 0.446 nan 8.150 nan 0.000 0.444 277 G N -0.206 108.097 108.800 -0.829 0.000 2.459 277 G HA2 -0.042 3.921 3.960 0.005 0.000 0.217 277 G HA3 -0.042 3.921 3.960 0.005 0.000 0.217 277 G C 1.567 175.850 174.900 -1.029 0.000 1.183 277 G CA 1.354 45.511 45.100 -1.572 0.000 0.776 277 G HN 0.689 nan 8.290 nan 0.000 0.552 278 G N -0.236 108.086 108.800 -0.797 0.000 2.421 278 G HA2 -0.185 3.778 3.960 0.005 0.000 0.216 278 G HA3 -0.185 3.778 3.960 0.005 0.000 0.216 278 G C 1.489 176.223 174.900 -0.277 0.000 1.171 278 G CA 0.926 45.838 45.100 -0.313 0.000 0.775 278 G HN 0.667 nan 8.290 nan 0.000 0.543 279 H N -0.044 118.497 119.070 -0.881 0.000 2.556 279 H HA 0.069 4.628 4.556 0.005 0.000 0.268 279 H C 2.224 177.055 175.328 -0.827 0.000 0.996 279 H CA 0.306 55.543 56.048 -1.352 0.000 1.157 279 H CB 0.281 28.891 29.762 -1.919 0.000 1.355 279 H HN 0.247 nan 8.280 nan 0.000 0.597 280 T N 0.531 114.731 114.554 -0.589 0.000 2.977 280 T HA -0.105 4.248 4.350 0.005 0.000 0.271 280 T C 0.080 174.439 174.700 -0.569 0.000 1.105 280 T CA 1.034 62.781 62.100 -0.589 0.000 1.116 280 T CB -0.111 68.209 68.868 -0.913 0.000 0.878 280 T HN 0.104 nan 8.240 nan 0.000 0.509 281 F N -0.226 119.710 119.950 -0.022 0.000 2.532 281 F HA 0.580 5.110 4.527 0.005 0.000 0.321 281 F C 1.131 177.060 175.800 0.214 0.000 1.089 281 F CA -0.540 57.491 58.000 0.052 0.000 0.926 281 F CB 1.639 40.658 39.000 0.031 0.000 1.168 281 F HN 0.202 nan 8.300 nan 0.000 0.459 282 G N 2.501 111.509 108.800 0.347 0.000 2.562 282 G HA2 -0.056 3.908 3.960 0.005 0.000 0.250 282 G HA3 -0.056 3.908 3.960 0.005 0.000 0.250 282 G C -1.097 174.052 174.900 0.414 0.000 1.269 282 G CA -0.013 45.326 45.100 0.398 0.000 0.919 282 G HN 1.063 nan 8.290 nan 0.000 0.574 283 K N -2.019 118.567 120.400 0.309 0.000 2.615 283 K HA 0.718 5.041 4.320 0.005 0.000 0.291 283 K C -0.104 176.324 176.600 -0.287 0.000 1.017 283 K CA -0.183 56.001 56.287 -0.172 0.000 0.882 283 K CB 1.135 33.556 32.500 -0.132 0.000 1.522 283 K HN 1.433 nan 8.250 nan 0.000 0.412 284 T N -1.430 112.803 114.554 -0.535 0.000 2.862 284 T HA 0.471 4.824 4.350 0.005 0.000 0.276 284 T C -0.712 173.561 174.700 -0.710 0.000 0.974 284 T CA -0.384 61.485 62.100 -0.385 0.000 0.966 284 T CB 0.568 69.288 68.868 -0.248 0.000 1.072 284 T HN 0.655 nan 8.240 nan 0.000 0.538 285 H N -1.228 117.834 119.070 -0.013 0.000 2.924 285 H HA 0.610 5.169 4.556 0.005 0.000 0.333 285 H C 0.263 175.575 175.328 -0.026 0.000 0.979 285 H CA -0.621 55.423 56.048 -0.006 0.000 1.326 285 H CB 1.596 31.393 29.762 0.059 0.000 1.600 285 H HN 1.052 nan 8.280 nan 0.000 0.520 286 G N 1.259 110.059 108.800 0.000 0.000 4.613 286 G HA2 0.404 4.367 3.960 0.005 0.000 0.232 286 G HA3 0.404 4.367 3.960 0.005 0.000 0.232 286 G C 0.758 175.605 174.900 -0.089 0.000 0.947 286 G CA 0.105 45.179 45.100 -0.043 0.000 0.715 286 G HN 0.721 nan 8.290 nan 0.000 0.518 287 A N -0.333 122.452 122.820 -0.058 0.000 2.119 287 A HA 0.613 4.936 4.320 0.005 0.000 0.217 287 A C 1.394 178.786 177.584 -0.320 0.000 1.153 287 A CA 1.388 53.392 52.037 -0.055 0.000 0.692 287 A CB 0.135 19.212 19.000 0.129 0.000 0.799 287 A HN 1.283 nan 8.150 nan 0.000 0.458 288 G N -2.121 106.324 108.800 -0.591 0.000 2.687 288 G HA2 0.515 4.478 3.960 0.005 0.000 0.291 288 G HA3 0.515 4.478 3.960 0.005 0.000 0.291 288 G C -3.478 171.127 174.900 -0.492 0.000 1.420 288 G CA -1.318 43.190 45.100 -0.987 0.000 0.796 288 G HN -0.105 nan 8.290 nan 0.000 0.485 289 P HA 0.218 nan 4.420 nan 0.000 0.264 289 P C 0.861 178.088 177.300 -0.122 0.000 1.183 289 P CA 0.602 63.592 63.100 -0.182 0.000 0.763 289 P CB 1.124 32.750 31.700 -0.124 0.000 0.807 290 A N 3.234 126.010 122.820 -0.073 0.000 2.024 290 A HA -0.184 4.139 4.320 0.005 0.000 0.220 290 A C 2.076 179.664 177.584 0.006 0.000 1.164 290 A CA 2.085 54.106 52.037 -0.027 0.000 0.643 290 A CB -1.492 17.498 19.000 -0.018 0.000 0.806 290 A HN 0.600 nan 8.150 nan 0.000 0.451 291 S N 0.173 115.872 115.700 -0.002 0.000 2.507 291 S HA -0.114 4.359 4.470 0.005 0.000 0.235 291 S C 1.423 176.046 174.600 0.038 0.000 0.988 291 S CA 0.946 59.158 58.200 0.019 0.000 0.944 291 S CB -0.669 62.537 63.200 0.010 0.000 0.762 291 S HN 0.615 nan 8.310 nan 0.000 0.526 292 N N 1.275 120.000 118.700 0.042 0.000 2.453 292 N HA 0.019 4.762 4.740 0.005 0.000 0.183 292 N C -0.031 175.539 175.510 0.101 0.000 1.041 292 N CA 0.519 53.621 53.050 0.086 0.000 0.900 292 N CB -0.129 38.440 38.487 0.136 0.000 0.961 292 N HN 0.326 nan 8.380 nan 0.000 0.443 293 V N 1.114 121.087 119.914 0.099 0.000 2.461 293 V HA 0.326 4.449 4.120 0.005 0.000 0.275 293 V C 1.146 177.313 176.094 0.123 0.000 1.047 293 V CA -0.583 61.801 62.300 0.140 0.000 0.955 293 V CB 1.060 32.983 31.823 0.166 0.000 0.988 293 V HN 0.098 nan 8.190 nan 0.000 0.471 294 G N 2.973 111.839 108.800 0.110 0.000 2.543 294 G HA2 0.584 4.547 3.960 0.005 0.000 0.267 294 G HA3 0.584 4.547 3.960 0.005 0.000 0.267 294 G C 0.195 175.080 174.900 -0.024 0.000 1.406 294 G CA -0.254 44.871 45.100 0.041 0.000 1.048 294 G HN 1.086 nan 8.290 nan 0.000 0.548 295 A N 0.177 122.938 122.820 -0.098 0.000 2.565 295 A HA 0.358 4.681 4.320 0.005 0.000 0.237 295 A C 1.016 178.320 177.584 -0.466 0.000 1.053 295 A CA 0.076 51.992 52.037 -0.202 0.000 0.755 295 A CB -0.141 18.763 19.000 -0.160 0.000 0.980 295 A HN 0.719 nan 8.150 nan 0.000 0.506 296 E N 3.191 122.994 120.200 -0.662 0.000 2.425 296 E HA 0.045 4.398 4.350 0.005 0.000 0.258 296 E C -2.149 173.935 176.600 -0.860 0.000 1.151 296 E CA -1.082 54.562 56.400 -1.260 0.000 0.958 296 E CB -0.323 28.845 29.700 -0.885 0.000 0.968 296 E HN 0.346 nan 8.360 nan 0.000 0.451 297 P HA -0.163 nan 4.420 nan 0.000 0.215 297 P C 0.974 178.073 177.300 -0.334 0.000 1.153 297 P CA 1.376 64.150 63.100 -0.543 0.000 0.853 297 P CB 0.171 31.584 31.700 -0.479 0.000 0.788 298 E N -0.940 119.092 120.200 -0.281 0.000 2.338 298 E HA -0.051 4.302 4.350 0.005 0.000 0.197 298 E C 1.679 178.202 176.600 -0.128 0.000 1.007 298 E CA 1.018 57.325 56.400 -0.154 0.000 0.849 298 E CB -0.411 29.242 29.700 -0.078 0.000 0.774 298 E HN 0.231 nan 8.360 nan 0.000 0.506 299 A N 0.549 123.267 122.820 -0.169 0.000 2.303 299 A HA 0.432 4.755 4.320 0.005 0.000 0.217 299 A C 1.239 178.743 177.584 -0.133 0.000 1.205 299 A CA 0.352 52.316 52.037 -0.123 0.000 0.875 299 A CB 0.239 19.175 19.000 -0.106 0.000 0.910 299 A HN 0.146 nan 8.150 nan 0.000 0.501 300 A N 0.103 122.816 122.820 -0.178 0.000 2.366 300 A HA 0.539 4.862 4.320 0.005 0.000 0.249 300 A C 0.988 178.506 177.584 -0.111 0.000 1.084 300 A CA 0.191 52.135 52.037 -0.155 0.000 0.794 300 A CB -0.366 18.516 19.000 -0.197 0.000 1.034 300 A HN 0.833 nan 8.150 nan 0.000 0.491 301 G N -0.766 107.981 108.800 -0.088 0.000 2.664 301 G HA2 0.328 4.291 3.960 0.005 0.000 0.242 301 G HA3 0.328 4.291 3.960 0.005 0.000 0.242 301 G C 0.854 175.708 174.900 -0.077 0.000 1.225 301 G CA -0.092 44.965 45.100 -0.070 0.000 0.849 301 G HN 0.844 nan 8.290 nan 0.000 0.581 302 I N 0.142 120.673 120.570 -0.065 0.000 2.454 302 I HA -0.123 4.050 4.170 0.005 0.000 0.254 302 I C 2.652 178.727 176.117 -0.069 0.000 1.156 302 I CA 1.352 62.611 61.300 -0.067 0.000 1.433 302 I CB 0.042 38.011 38.000 -0.053 0.000 1.082 302 I HN 0.729 nan 8.210 nan 0.000 0.432 303 E N 1.325 121.488 120.200 -0.061 0.000 2.418 303 E HA -0.143 4.210 4.350 0.005 0.000 0.197 303 E C 1.760 178.315 176.600 -0.074 0.000 1.026 303 E CA 1.075 57.439 56.400 -0.060 0.000 0.862 303 E CB -0.357 29.316 29.700 -0.044 0.000 0.799 303 E HN 0.483 nan 8.360 nan 0.000 0.518 304 A N 1.026 123.794 122.820 -0.086 0.000 2.172 304 A HA -0.113 4.210 4.320 0.005 0.000 0.216 304 A C 0.901 178.407 177.584 -0.129 0.000 1.154 304 A CA 0.637 52.611 52.037 -0.104 0.000 0.701 304 A CB -0.264 18.667 19.000 -0.116 0.000 0.789 304 A HN 0.186 nan 8.150 nan 0.000 0.465 305 Q N -2.448 117.278 119.800 -0.123 0.000 2.434 305 Q HA -0.259 4.084 4.340 0.005 0.000 0.299 305 Q C 0.922 176.820 176.000 -0.169 0.000 1.286 305 Q CA 1.318 57.037 55.803 -0.140 0.000 0.872 305 Q CB -2.402 26.250 28.738 -0.142 0.000 1.193 305 Q HN 1.757 nan 8.270 nan 0.000 0.466 306 G N -1.597 107.103 108.800 -0.166 0.000 2.176 306 G HA2 -0.292 3.671 3.960 0.005 0.000 0.253 306 G HA3 -0.292 3.671 3.960 0.005 0.000 0.253 306 G C 0.208 174.988 174.900 -0.201 0.000 0.979 306 G CA 0.356 45.344 45.100 -0.187 0.000 0.641 306 G HN 0.318 nan 8.290 nan 0.000 0.530 307 L N -0.274 120.835 121.223 -0.190 0.000 2.365 307 L HA 0.839 5.182 4.340 0.005 0.000 0.267 307 L C 1.049 177.790 176.870 -0.214 0.000 1.033 307 L CA -0.321 54.414 54.840 -0.175 0.000 0.802 307 L CB 1.558 43.527 42.059 -0.150 0.000 1.267 307 L HN 0.306 nan 8.230 nan 0.000 0.457 308 G N -2.374 106.300 108.800 -0.209 0.000 2.782 308 G HA2 0.356 4.319 3.960 0.005 0.000 0.304 308 G HA3 0.356 4.319 3.960 0.005 0.000 0.304 308 G C -1.331 173.527 174.900 -0.069 0.000 1.315 308 G CA -0.524 44.357 45.100 -0.366 0.000 0.791 308 G HN 0.701 nan 8.290 nan 0.000 0.519 309 W N 0.269 121.519 121.300 -0.085 0.000 5.950 309 W HA -0.170 4.493 4.660 0.005 0.000 0.383 309 W C 0.753 177.266 176.519 -0.010 0.000 1.418 309 W CA 0.957 58.269 57.345 -0.055 0.000 0.994 309 W CB -1.067 28.349 29.460 -0.074 0.000 2.552 309 W HN 0.575 nan 8.180 nan 0.000 1.551 310 K N 1.445 121.930 120.400 0.142 0.000 2.448 310 K HA 0.200 4.523 4.320 0.005 0.000 0.278 310 K C 0.562 177.254 176.600 0.154 0.000 1.009 310 K CA 0.473 56.843 56.287 0.137 0.000 0.995 310 K CB 0.709 33.251 32.500 0.070 0.000 0.917 310 K HN -0.018 nan 8.250 nan 0.000 0.481 311 S N 2.643 118.451 115.700 0.179 0.000 2.482 311 S HA 0.505 4.978 4.470 0.005 0.000 0.303 311 S C 0.314 174.999 174.600 0.141 0.000 1.091 311 S CA -0.419 57.885 58.200 0.173 0.000 1.057 311 S CB 1.659 64.989 63.200 0.217 0.000 1.031 311 S HN 0.675 nan 8.310 nan 0.000 0.485 312 A N 3.726 126.625 122.820 0.132 0.000 2.251 312 A HA 0.211 4.534 4.320 0.005 0.000 0.209 312 A C 0.195 177.851 177.584 0.120 0.000 1.187 312 A CA 0.096 52.194 52.037 0.102 0.000 0.823 312 A CB -0.393 18.657 19.000 0.084 0.000 0.846 312 A HN 0.840 nan 8.150 nan 0.000 0.486 313 Y N 2.237 122.554 120.300 0.028 0.000 2.539 313 Y HA 0.368 4.921 4.550 0.005 0.000 0.352 313 Y C 0.999 176.896 175.900 -0.004 0.000 1.004 313 Y CA -0.662 57.444 58.100 0.011 0.000 1.278 313 Y CB -0.392 38.076 38.460 0.013 0.000 1.136 313 Y HN 0.540 nan 8.280 nan 0.000 0.528 314 R N 0.540 120.722 120.500 -0.531 0.000 3.869 314 R HA -0.341 4.002 4.340 0.005 0.000 0.424 314 R C 1.596 177.758 176.300 -0.231 0.000 0.241 314 R CA 2.486 58.308 56.100 -0.464 0.000 1.351 314 R CB -1.736 28.133 30.300 -0.719 0.000 0.979 314 R HN 0.752 nan 8.270 nan 0.000 0.572 315 T N -0.906 113.522 114.554 -0.210 0.000 3.055 315 T HA 0.172 4.525 4.350 0.005 0.000 0.265 315 T C 1.414 176.080 174.700 -0.056 0.000 1.111 315 T CA 1.392 63.417 62.100 -0.124 0.000 1.118 315 T CB 0.194 68.970 68.868 -0.154 0.000 0.909 315 T HN 1.298 nan 8.240 nan 0.000 0.501 316 G N 1.850 110.631 108.800 -0.032 0.000 2.143 316 G HA2 -0.229 3.734 3.960 0.005 0.000 0.249 316 G HA3 -0.229 3.734 3.960 0.005 0.000 0.249 316 G C -0.060 174.898 174.900 0.097 0.000 0.981 316 G CA 0.535 45.686 45.100 0.085 0.000 0.665 316 G HN 1.037 nan 8.290 nan 0.000 0.528 317 K N -2.522 117.814 120.400 -0.106 0.000 2.670 317 K HA 0.633 4.956 4.320 0.005 0.000 0.289 317 K C 1.178 177.424 176.600 -0.590 0.000 1.045 317 K CA -0.079 55.946 56.287 -0.437 0.000 0.834 317 K CB 0.651 32.963 32.500 -0.314 0.000 1.531 317 K HN 1.739 nan 8.250 nan 0.000 0.376 318 G N 0.685 108.959 108.800 -0.878 0.000 2.660 318 G HA2 -0.447 3.516 3.960 0.005 0.000 0.321 318 G HA3 -0.447 3.516 3.960 0.005 0.000 0.321 318 G C 1.107 175.503 174.900 -0.839 0.000 1.246 318 G CA 2.038 46.566 45.100 -0.953 0.000 1.000 318 G HN 1.342 nan 8.290 nan 0.000 0.550 319 A N -0.881 121.235 122.820 -1.173 0.000 2.070 319 A HA 0.115 4.438 4.320 0.005 0.000 0.220 319 A C 1.809 179.278 177.584 -0.192 0.000 1.159 319 A CA 2.402 54.148 52.037 -0.484 0.000 0.656 319 A CB -0.288 18.493 19.000 -0.366 0.000 0.800 319 A HN 0.572 nan 8.150 nan 0.000 0.453 320 D N 0.037 120.304 120.400 -0.222 0.000 2.328 320 D HA 0.309 4.952 4.640 0.005 0.000 0.221 320 D C 0.748 177.096 176.300 0.080 0.000 1.072 320 D CA 0.620 54.611 54.000 -0.016 0.000 0.850 320 D CB -0.153 40.581 40.800 -0.110 0.000 0.922 320 D HN 0.425 nan 8.370 nan 0.000 0.516 321 A N 0.842 123.646 122.820 -0.027 0.000 2.531 321 A HA 0.284 4.607 4.320 0.005 0.000 0.236 321 A C 0.234 177.920 177.584 0.171 0.000 1.062 321 A CA 0.303 52.365 52.037 0.042 0.000 0.760 321 A CB 0.081 19.022 19.000 -0.098 0.000 0.995 321 A HN 0.181 nan 8.150 nan 0.000 0.501 322 I N 2.503 123.189 120.570 0.194 0.000 2.439 322 I HA 0.325 4.498 4.170 0.005 0.000 0.285 322 I C 0.504 176.692 176.117 0.119 0.000 1.021 322 I CA -0.207 61.176 61.300 0.138 0.000 1.091 322 I CB 2.277 40.323 38.000 0.076 0.000 1.242 322 I HN 0.794 nan 8.210 nan 0.000 0.439 323 T N 1.231 115.845 114.554 0.099 0.000 3.429 323 T HA -0.019 4.334 4.350 0.005 0.000 0.212 323 T C 1.556 176.233 174.700 -0.039 0.000 0.980 323 T CA 0.757 62.852 62.100 -0.009 0.000 1.201 323 T CB 0.028 68.935 68.868 0.064 0.000 1.289 323 T HN 0.616 nan 8.240 nan 0.000 0.346 324 S N 0.630 116.350 115.700 0.032 0.000 2.470 324 S HA 0.349 4.822 4.470 0.005 0.000 0.225 324 S C 1.914 176.517 174.600 0.006 0.000 1.006 324 S CA 0.999 59.212 58.200 0.022 0.000 0.934 324 S CB -0.165 63.078 63.200 0.072 0.000 0.778 324 S HN 1.064 nan 8.310 nan 0.000 0.517 325 G N 0.575 109.376 108.800 0.000 0.000 2.175 325 G HA2 -0.208 3.756 3.960 0.005 0.000 0.244 325 G HA3 -0.208 3.756 3.960 0.005 0.000 0.244 325 G C -0.104 174.768 174.900 -0.046 0.000 0.982 325 G CA 0.244 45.325 45.100 -0.031 0.000 0.641 325 G HN 0.509 nan 8.290 nan 0.000 0.527 326 L N -0.140 121.063 121.223 -0.034 0.000 2.375 326 L HA 0.780 5.124 4.340 0.005 0.000 0.268 326 L C 0.389 177.189 176.870 -0.116 0.000 1.058 326 L CA -0.836 53.967 54.840 -0.061 0.000 0.803 326 L CB 1.631 43.673 42.059 -0.028 0.000 1.212 326 L HN 0.080 nan 8.230 nan 0.000 0.451 327 E N 1.369 121.475 120.200 -0.156 0.000 3.108 327 E HA 0.415 4.768 4.350 0.005 0.000 0.228 327 E C -1.734 174.695 176.600 -0.285 0.000 1.176 327 E CA -0.138 56.131 56.400 -0.218 0.000 0.881 327 E CB 0.970 30.562 29.700 -0.180 0.000 1.354 327 E HN 0.206 nan 8.360 nan 0.000 0.400 328 V N 2.237 121.906 119.914 -0.409 0.000 2.656 328 V HA 0.624 4.747 4.120 0.005 0.000 0.307 328 V C -0.366 175.252 176.094 -0.793 0.000 1.051 328 V CA -0.661 61.300 62.300 -0.566 0.000 0.893 328 V CB 2.388 33.827 31.823 -0.641 0.000 0.999 328 V HN 0.515 nan 8.190 nan 0.000 0.426 329 T N 4.077 118.249 114.554 -0.636 0.000 2.890 329 T HA 0.306 4.659 4.350 0.005 0.000 0.295 329 T C 0.344 174.828 174.700 -0.361 0.000 0.993 329 T CA -0.420 61.380 62.100 -0.500 0.000 0.979 329 T CB 0.974 69.759 68.868 -0.139 0.000 0.967 329 T HN 0.723 nan 8.240 nan 0.000 0.441 330 W N 2.459 123.742 121.300 -0.028 0.000 2.494 330 W HA 0.049 4.713 4.660 0.006 0.000 0.286 330 W C 1.394 177.898 176.519 -0.025 0.000 1.218 330 W CA 0.416 57.751 57.345 -0.016 0.000 1.313 330 W CB -0.270 29.232 29.460 0.071 0.000 1.105 330 W HN 0.594 nan 8.180 nan 0.000 0.561 331 T N -3.236 111.420 114.554 0.170 0.000 2.930 331 T HA 0.285 4.638 4.350 0.005 0.000 0.290 331 T C 1.013 175.704 174.700 -0.015 0.000 1.052 331 T CA 0.027 62.160 62.100 0.054 0.000 1.017 331 T CB 2.213 71.066 68.868 -0.025 0.000 1.137 331 T HN -0.050 nan 8.240 nan 0.000 0.511 332 T N -1.578 112.964 114.554 -0.020 0.000 3.072 332 T HA 0.119 4.472 4.350 0.005 0.000 0.266 332 T C 0.964 175.612 174.700 -0.086 0.000 1.127 332 T CA 0.814 62.896 62.100 -0.031 0.000 1.107 332 T CB -0.784 68.082 68.868 -0.003 0.000 0.910 332 T HN 1.060 nan 8.240 nan 0.000 0.513 333 T N -1.262 113.212 114.554 -0.134 0.000 3.296 333 T HA 0.473 4.826 4.350 0.005 0.000 0.333 333 T C -2.768 171.792 174.700 -0.234 0.000 1.280 333 T CA -1.364 60.633 62.100 -0.172 0.000 1.558 333 T CB 1.563 70.359 68.868 -0.120 0.000 0.929 333 T HN -0.124 nan 8.240 nan 0.000 0.596 334 P HA 0.006 nan 4.420 nan 0.000 0.234 334 P C 1.334 178.499 177.300 -0.224 0.000 1.167 334 P CA 0.825 63.692 63.100 -0.388 0.000 0.763 334 P CB 0.031 31.198 31.700 -0.889 0.000 0.835 335 T N -5.433 108.981 114.554 -0.233 0.000 3.174 335 T HA 0.283 4.636 4.350 0.005 0.000 0.269 335 T C 0.291 174.987 174.700 -0.006 0.000 1.017 335 T CA -0.299 61.716 62.100 -0.142 0.000 0.899 335 T CB -0.302 68.437 68.868 -0.216 0.000 1.077 335 T HN 0.022 nan 8.240 nan 0.000 0.552 336 Q N 0.549 120.389 119.800 0.066 0.000 2.289 336 Q HA 0.271 4.614 4.340 0.005 0.000 0.270 336 Q C -1.297 174.785 176.000 0.136 0.000 1.038 336 Q CA -0.914 54.975 55.803 0.145 0.000 0.812 336 Q CB 1.991 30.756 28.738 0.047 0.000 1.300 336 Q HN 0.553 nan 8.270 nan 0.000 0.427 337 W N 3.834 125.245 121.300 0.185 0.000 2.385 337 W HA 0.106 4.769 4.660 0.005 0.000 0.336 337 W C -0.639 175.824 176.519 -0.092 0.000 1.351 337 W CA 1.210 58.576 57.345 0.036 0.000 1.295 337 W CB 0.577 30.228 29.460 0.319 0.000 1.239 337 W HN 0.763 nan 8.180 nan 0.000 0.565 338 S N 3.714 118.778 115.700 -1.060 0.000 2.776 338 S HA 0.386 4.859 4.470 0.005 0.000 0.292 338 S C -0.678 173.376 174.600 -0.910 0.000 1.187 338 S CA -0.864 56.817 58.200 -0.865 0.000 0.834 338 S CB 1.920 64.849 63.200 -0.451 0.000 1.199 338 S HN 0.615 nan 8.310 nan 0.000 0.514 339 H N 0.032 118.897 119.070 -0.342 0.000 2.486 339 H HA 0.418 4.977 4.556 0.005 0.000 0.284 339 H C 1.320 176.656 175.328 0.013 0.000 1.103 339 H CA -0.290 55.703 56.048 -0.091 0.000 1.089 339 H CB 0.078 29.882 29.762 0.070 0.000 1.603 339 H HN 0.627 nan 8.280 nan 0.000 0.557 340 N N 0.572 119.271 118.700 -0.003 0.000 2.416 340 N HA -0.118 4.625 4.740 0.005 0.000 0.177 340 N C 1.495 177.037 175.510 0.055 0.000 1.036 340 N CA 0.167 53.240 53.050 0.039 0.000 0.901 340 N CB 0.156 38.631 38.487 -0.020 0.000 0.976 340 N HN 0.254 nan 8.380 nan 0.000 0.444 341 F N 1.102 120.956 119.950 -0.161 0.000 2.043 341 F HA -0.175 4.355 4.527 0.005 0.000 0.297 341 F C 1.614 177.267 175.800 -0.245 0.000 1.121 341 F CA 1.750 59.590 58.000 -0.268 0.000 1.199 341 F CB -0.551 38.132 39.000 -0.530 0.000 0.968 341 F HN -0.035 nan 8.300 nan 0.000 0.478 342 F N 0.556 120.558 119.950 0.088 0.000 2.325 342 F HA -0.104 4.426 4.527 0.005 0.000 0.299 342 F C 2.281 177.978 175.800 -0.173 0.000 1.090 342 F CA 1.024 58.986 58.000 -0.063 0.000 1.392 342 F CB -0.435 38.613 39.000 0.079 0.000 1.053 342 F HN 0.049 nan 8.300 nan 0.000 0.521 343 E N 0.360 120.658 120.200 0.164 0.000 2.051 343 E HA -0.204 4.149 4.350 0.005 0.000 0.192 343 E C 1.805 178.443 176.600 0.064 0.000 0.991 343 E CA 1.338 57.827 56.400 0.148 0.000 0.799 343 E CB -0.192 29.625 29.700 0.196 0.000 0.748 343 E HN 0.365 nan 8.360 nan 0.000 0.449 344 N N 0.853 119.607 118.700 0.091 0.000 2.106 344 N HA -0.135 4.608 4.740 0.005 0.000 0.188 344 N C 1.859 177.569 175.510 0.333 0.000 1.029 344 N CA 0.560 53.780 53.050 0.284 0.000 0.848 344 N CB -0.473 38.208 38.487 0.322 0.000 1.007 344 N HN 0.054 nan 8.380 nan 0.000 0.423 345 L N 0.292 121.469 121.223 -0.076 0.000 1.990 345 L HA -0.107 4.236 4.340 0.005 0.000 0.213 345 L C 1.691 178.513 176.870 -0.080 0.000 1.072 345 L CA 1.728 56.416 54.840 -0.253 0.000 0.755 345 L CB -0.766 40.846 42.059 -0.744 0.000 0.889 345 L HN 0.079 nan 8.230 nan 0.000 0.432 346 F N -1.328 118.601 119.950 -0.035 0.000 2.664 346 F HA 0.149 4.679 4.527 0.005 0.000 0.296 346 F C 2.237 177.986 175.800 -0.085 0.000 1.125 346 F CA 0.549 58.493 58.000 -0.093 0.000 1.444 346 F CB -0.453 38.393 39.000 -0.257 0.000 1.114 346 F HN 0.181 nan 8.300 nan 0.000 0.576 347 G N -1.416 107.393 108.800 0.014 0.000 2.683 347 G HA2 0.005 3.968 3.960 0.005 0.000 0.213 347 G HA3 0.005 3.968 3.960 0.005 0.000 0.213 347 G C -0.124 174.442 174.900 -0.557 0.000 1.142 347 G CA 0.257 45.198 45.100 -0.265 0.000 0.793 347 G HN 0.230 nan 8.290 nan 0.000 0.534 348 Y N -0.398 119.795 120.300 -0.178 0.000 2.598 348 Y HA 0.569 5.122 4.550 0.005 0.000 0.340 348 Y C 0.011 175.595 175.900 -0.527 0.000 1.038 348 Y CA -1.330 56.497 58.100 -0.455 0.000 1.100 348 Y CB 1.445 39.371 38.460 -0.890 0.000 1.281 348 Y HN -0.188 nan 8.280 nan 0.000 0.488 349 E N 0.522 120.550 120.200 -0.287 0.000 2.283 349 E HA 0.206 4.559 4.350 0.005 0.000 0.267 349 E C -1.593 174.732 176.600 -0.459 0.000 1.045 349 E CA -0.568 55.704 56.400 -0.213 0.000 0.884 349 E CB 1.147 30.838 29.700 -0.014 0.000 1.106 349 E HN 0.544 nan 8.360 nan 0.000 0.408 350 W N 0.562 121.982 121.300 0.200 0.000 2.632 350 W HA 0.376 5.039 4.660 0.005 0.000 0.328 350 W C 0.315 177.062 176.519 0.380 0.000 1.044 350 W CA -0.616 56.888 57.345 0.264 0.000 1.225 350 W CB 1.320 30.910 29.460 0.217 0.000 1.396 350 W HN 0.350 nan 8.180 nan 0.000 0.499 351 E N 2.068 122.604 120.200 0.560 0.000 2.199 351 E HA 0.418 4.771 4.350 0.005 0.000 0.269 351 E C -1.337 175.316 176.600 0.089 0.000 0.899 351 E CA -1.154 55.429 56.400 0.306 0.000 0.772 351 E CB 1.548 31.320 29.700 0.120 0.000 1.155 351 E HN 0.414 nan 8.360 nan 0.000 0.408 352 L N 3.620 124.623 121.223 -0.366 0.000 2.410 352 L HA 0.345 4.688 4.340 0.005 0.000 0.273 352 L C -0.187 176.434 176.870 -0.415 0.000 1.152 352 L CA 1.069 55.380 54.840 -0.880 0.000 0.855 352 L CB 1.118 42.602 42.059 -0.958 0.000 1.129 352 L HN 0.652 nan 8.230 nan 0.000 0.463 353 T N 3.892 118.217 114.554 -0.382 0.000 2.647 353 T HA 0.529 4.882 4.350 0.005 0.000 0.295 353 T C -1.332 173.284 174.700 -0.140 0.000 1.126 353 T CA -0.738 61.252 62.100 -0.185 0.000 1.040 353 T CB 1.042 69.845 68.868 -0.108 0.000 1.472 353 T HN 0.610 nan 8.240 nan 0.000 0.500 354 K N 1.377 121.719 120.400 -0.097 0.000 2.378 354 K HA 0.581 4.904 4.320 0.005 0.000 0.252 354 K C -0.203 176.341 176.600 -0.093 0.000 0.931 354 K CA -0.781 55.449 56.287 -0.095 0.000 0.794 354 K CB 1.936 34.379 32.500 -0.095 0.000 1.181 354 K HN 0.762 nan 8.250 nan 0.000 0.425 355 S N 1.364 117.004 115.700 -0.100 0.000 2.606 355 S HA 0.170 4.643 4.470 0.005 0.000 0.257 355 S C -1.790 172.749 174.600 -0.102 0.000 1.327 355 S CA -0.841 57.299 58.200 -0.100 0.000 0.984 355 S CB 0.411 63.550 63.200 -0.103 0.000 0.941 355 S HN 0.353 nan 8.310 nan 0.000 0.576 356 P HA 0.140 nan 4.420 nan 0.000 0.230 356 P C 0.813 178.027 177.300 -0.144 0.000 1.158 356 P CA 1.079 64.111 63.100 -0.114 0.000 0.769 356 P CB -0.237 31.391 31.700 -0.120 0.000 0.807 357 A N -0.910 121.826 122.820 -0.140 0.000 2.275 357 A HA 0.478 4.801 4.320 0.005 0.000 0.212 357 A C 1.646 179.158 177.584 -0.120 0.000 1.201 357 A CA 0.711 52.666 52.037 -0.137 0.000 0.843 357 A CB -0.938 17.993 19.000 -0.116 0.000 0.873 357 A HN 0.228 nan 8.150 nan 0.000 0.492 358 G N -2.079 106.646 108.800 -0.123 0.000 2.141 358 G HA2 0.133 4.097 3.960 0.005 0.000 0.231 358 G HA3 0.133 4.097 3.960 0.005 0.000 0.231 358 G C 0.326 175.105 174.900 -0.203 0.000 0.984 358 G CA 0.212 45.228 45.100 -0.141 0.000 0.660 358 G HN 1.523 nan 8.290 nan 0.000 0.525 359 A N 0.602 123.314 122.820 -0.180 0.000 2.304 359 A HA 0.703 5.026 4.320 0.005 0.000 0.301 359 A C 0.348 177.810 177.584 -0.203 0.000 1.132 359 A CA -0.565 51.349 52.037 -0.206 0.000 0.819 359 A CB 0.371 19.312 19.000 -0.097 0.000 1.094 359 A HN 0.416 nan 8.150 nan 0.000 0.492 360 H N 1.545 120.579 119.070 -0.059 0.000 2.803 360 H HA 0.324 4.883 4.556 0.005 0.000 0.330 360 H C 0.334 175.604 175.328 -0.096 0.000 1.057 360 H CA 0.732 56.712 56.048 -0.112 0.000 1.458 360 H CB 0.591 30.295 29.762 -0.096 0.000 1.470 360 H HN 0.790 nan 8.280 nan 0.000 0.560 361 Q N 1.603 121.356 119.800 -0.079 0.000 2.814 361 Q HA 0.442 4.785 4.340 0.005 0.000 0.322 361 Q C -1.712 174.133 176.000 -0.258 0.000 0.888 361 Q CA -1.110 54.672 55.803 -0.036 0.000 0.768 361 Q CB 1.743 30.486 28.738 0.009 0.000 1.443 361 Q HN 0.415 nan 8.270 nan 0.000 0.497 362 W N 0.502 121.818 121.300 0.027 0.000 2.785 362 W HA 0.691 5.354 4.660 0.006 0.000 0.333 362 W C -1.103 175.542 176.519 0.210 0.000 1.062 362 W CA -0.735 56.679 57.345 0.115 0.000 1.233 362 W CB 2.185 31.692 29.460 0.077 0.000 1.413 362 W HN 0.484 nan 8.180 nan 0.000 0.489 363 V N 3.239 123.411 119.914 0.431 0.000 2.581 363 V HA 0.829 4.952 4.120 0.005 0.000 0.303 363 V C -0.162 176.074 176.094 0.237 0.000 1.041 363 V CA -1.022 61.462 62.300 0.305 0.000 0.907 363 V CB 1.444 33.323 31.823 0.092 0.000 0.994 363 V HN 0.648 nan 8.190 nan 0.000 0.442 364 A N 6.218 128.955 122.820 -0.138 0.000 2.454 364 A HA 0.358 4.681 4.320 0.005 0.000 0.260 364 A C 0.321 177.677 177.584 -0.380 0.000 1.106 364 A CA -0.146 51.430 52.037 -0.768 0.000 0.780 364 A CB -0.186 17.971 19.000 -1.406 0.000 1.044 364 A HN 0.842 nan 8.150 nan 0.000 0.498 365 K N 1.851 122.090 120.400 -0.268 0.000 2.436 365 K HA 0.273 4.596 4.320 0.005 0.000 0.282 365 K C 1.162 177.715 176.600 -0.078 0.000 1.044 365 K CA 0.954 57.173 56.287 -0.112 0.000 1.028 365 K CB 0.252 32.718 32.500 -0.056 0.000 0.919 365 K HN 1.377 nan 8.250 nan 0.000 0.474 366 G N 1.749 110.513 108.800 -0.059 0.000 2.179 366 G HA2 -0.330 3.633 3.960 0.005 0.000 0.257 366 G HA3 -0.330 3.633 3.960 0.005 0.000 0.257 366 G C 0.235 175.125 174.900 -0.017 0.000 1.010 366 G CA 0.322 45.406 45.100 -0.027 0.000 0.736 366 G HN 0.826 nan 8.290 nan 0.000 0.513 367 A N -0.237 122.530 122.820 -0.089 0.000 2.371 367 A HA 0.566 4.889 4.320 0.005 0.000 0.257 367 A C 0.527 178.082 177.584 -0.048 0.000 1.089 367 A CA -0.083 51.900 52.037 -0.090 0.000 0.794 367 A CB 0.488 19.204 19.000 -0.472 0.000 1.029 367 A HN 0.303 nan 8.150 nan 0.000 0.488 368 D N 0.630 121.033 120.400 0.005 0.000 2.361 368 D HA 0.343 4.986 4.640 0.005 0.000 0.239 368 D C 0.455 176.741 176.300 -0.024 0.000 1.200 368 D CA 0.676 54.673 54.000 -0.004 0.000 0.915 368 D CB 0.787 41.598 40.800 0.018 0.000 1.170 368 D HN 0.607 nan 8.370 nan 0.000 0.444 369 A N 1.132 123.938 122.820 -0.023 0.000 2.797 369 A HA 0.252 4.575 4.320 0.005 0.000 0.296 369 A C 1.095 178.672 177.584 -0.010 0.000 1.580 369 A CA -0.438 51.584 52.037 -0.024 0.000 1.277 369 A CB -0.714 18.256 19.000 -0.050 0.000 1.101 369 A HN 0.395 nan 8.150 nan 0.000 0.562 370 V N 0.461 120.379 119.914 0.007 0.000 3.643 370 V HA 0.326 4.449 4.120 0.005 0.000 0.280 370 V C 0.350 176.465 176.094 0.035 0.000 1.351 370 V CA -0.068 62.246 62.300 0.024 0.000 1.073 370 V CB -0.456 31.394 31.823 0.045 0.000 0.863 370 V HN 0.517 nan 8.190 nan 0.000 0.436 371 I N 3.560 124.164 120.570 0.055 0.000 2.365 371 I HA 0.496 4.669 4.170 0.005 0.000 0.291 371 I C -2.362 173.837 176.117 0.136 0.000 1.004 371 I CA -2.599 58.751 61.300 0.083 0.000 1.311 371 I CB 1.061 39.117 38.000 0.094 0.000 1.401 371 I HN 0.130 nan 8.210 nan 0.000 0.491 372 P HA 0.163 nan 4.420 nan 0.000 0.274 372 P C -0.629 176.895 177.300 0.373 0.000 1.237 372 P CA -0.297 62.924 63.100 0.202 0.000 0.793 372 P CB 0.951 32.766 31.700 0.192 0.000 0.977 373 D N 0.026 120.583 120.400 0.262 0.000 2.329 373 D HA 0.354 4.997 4.640 0.005 0.000 0.246 373 D C 1.084 177.345 176.300 -0.064 0.000 1.111 373 D CA -0.400 53.734 54.000 0.225 0.000 0.941 373 D CB 0.784 41.666 40.800 0.136 0.000 1.169 373 D HN 0.259 nan 8.370 nan 0.000 0.441 374 A N 1.653 124.185 122.820 -0.479 0.000 2.123 374 A HA 0.096 4.419 4.320 0.005 0.000 0.214 374 A C 1.033 177.857 177.584 -1.266 0.000 1.152 374 A CA 0.653 51.825 52.037 -1.441 0.000 0.728 374 A CB -0.290 17.796 19.000 -1.524 0.000 0.814 374 A HN 0.605 nan 8.150 nan 0.000 0.464 375 F N -1.655 118.135 119.950 -0.266 0.000 2.856 375 F HA 0.249 4.779 4.527 0.005 0.000 0.338 375 F C 0.071 175.815 175.800 -0.094 0.000 1.005 375 F CA -0.536 57.361 58.000 -0.171 0.000 1.155 375 F CB 0.825 39.722 39.000 -0.171 0.000 1.010 375 F HN 0.033 nan 8.300 nan 0.000 0.587 376 D N 1.451 121.896 120.400 0.075 0.000 2.414 376 D HA 0.286 4.929 4.640 0.005 0.000 0.232 376 D C -2.216 174.092 176.300 0.014 0.000 1.070 376 D CA -2.276 51.751 54.000 0.044 0.000 0.839 376 D CB 2.057 42.882 40.800 0.042 0.000 1.079 376 D HN -0.088 nan 8.370 nan 0.000 0.521 377 P HA -0.057 nan 4.420 nan 0.000 0.226 377 P C 0.969 178.266 177.300 -0.005 0.000 1.153 377 P CA 0.672 63.776 63.100 0.005 0.000 0.777 377 P CB 0.241 31.944 31.700 0.006 0.000 0.794 378 S N -2.217 113.476 115.700 -0.012 0.000 2.605 378 S HA 0.162 4.635 4.470 0.005 0.000 0.217 378 S C 0.561 175.130 174.600 -0.051 0.000 0.958 378 S CA -0.183 58.002 58.200 -0.025 0.000 0.919 378 S CB -0.572 62.616 63.200 -0.020 0.000 0.780 378 S HN 0.029 nan 8.310 nan 0.000 0.507 379 K N 1.006 121.364 120.400 -0.070 0.000 2.316 379 K HA 0.576 4.899 4.320 0.005 0.000 0.251 379 K C -0.643 175.823 176.600 -0.224 0.000 0.934 379 K CA -0.787 55.402 56.287 -0.164 0.000 0.802 379 K CB 1.539 33.931 32.500 -0.180 0.000 1.171 379 K HN 0.021 nan 8.250 nan 0.000 0.426 380 K N 1.542 121.743 120.400 -0.331 0.000 2.433 380 K HA 0.501 4.824 4.320 0.005 0.000 0.252 380 K C -0.768 175.555 176.600 -0.462 0.000 1.015 380 K CA -0.922 55.202 56.287 -0.271 0.000 0.860 380 K CB 2.026 34.465 32.500 -0.102 0.000 1.359 380 K HN 0.614 nan 8.250 nan 0.000 0.452 381 H N 0.529 119.595 119.070 -0.006 0.000 2.985 381 H HA 0.350 4.909 4.556 0.005 0.000 0.360 381 H C -0.291 175.013 175.328 -0.041 0.000 1.221 381 H CA -0.820 55.214 56.048 -0.023 0.000 1.121 381 H CB 1.824 31.572 29.762 -0.024 0.000 1.854 381 H HN 0.284 nan 8.280 nan 0.000 0.551 382 R N 1.052 121.602 120.500 0.082 0.000 2.641 382 R HA 0.206 4.549 4.340 0.005 0.000 0.269 382 R C -2.328 173.953 176.300 -0.032 0.000 1.074 382 R CA -1.506 54.575 56.100 -0.031 0.000 1.133 382 R CB -0.106 30.151 30.300 -0.072 0.000 1.029 382 R HN 0.259 nan 8.270 nan 0.000 0.488 383 P HA -0.020 nan 4.420 nan 0.000 0.264 383 P C -0.740 176.650 177.300 0.150 0.000 1.193 383 P CA 0.335 63.426 63.100 -0.016 0.000 0.763 383 P CB 0.766 32.380 31.700 -0.143 0.000 0.810 384 T N 0.409 115.044 114.554 0.136 0.000 2.901 384 T HA 0.840 5.193 4.350 0.005 0.000 0.293 384 T C -0.542 174.115 174.700 -0.071 0.000 1.084 384 T CA -0.854 61.321 62.100 0.125 0.000 1.008 384 T CB 1.217 70.057 68.868 -0.047 0.000 1.170 384 T HN 0.089 nan 8.240 nan 0.000 0.509 385 M N 1.470 120.998 119.600 -0.119 0.000 2.569 385 M HA 0.471 4.954 4.480 0.005 0.000 0.279 385 M C -1.098 175.238 176.300 0.059 0.000 1.253 385 M CA -0.755 54.431 55.300 -0.189 0.000 0.867 385 M CB 2.293 34.424 32.600 -0.783 0.000 1.727 385 M HN 0.681 nan 8.290 nan 0.000 0.467 386 L N 0.698 122.023 121.223 0.170 0.000 2.439 386 L HA 0.343 4.687 4.340 0.005 0.000 0.261 386 L C 1.507 178.486 176.870 0.182 0.000 1.153 386 L CA -0.246 54.743 54.840 0.249 0.000 0.808 386 L CB 0.648 42.888 42.059 0.301 0.000 1.126 386 L HN 0.784 nan 8.230 nan 0.000 0.460 387 T N -0.572 114.175 114.554 0.322 0.000 2.685 387 T HA -0.213 4.140 4.350 0.005 0.000 0.268 387 T C 1.770 176.482 174.700 0.020 0.000 1.034 387 T CA 2.255 64.452 62.100 0.160 0.000 1.149 387 T CB -0.298 68.776 68.868 0.343 0.000 0.860 387 T HN 0.928 nan 8.240 nan 0.000 0.449 388 T N 0.315 114.936 114.554 0.113 0.000 2.962 388 T HA -0.092 4.261 4.350 0.005 0.000 0.270 388 T C 1.449 176.166 174.700 0.030 0.000 1.088 388 T CA 1.028 63.183 62.100 0.091 0.000 1.127 388 T CB -0.259 68.705 68.868 0.160 0.000 0.883 388 T HN 0.265 nan 8.240 nan 0.000 0.493 389 D N 1.697 122.126 120.400 0.049 0.000 2.123 389 D HA 0.053 4.696 4.640 0.005 0.000 0.200 389 D C 2.164 178.377 176.300 -0.146 0.000 0.976 389 D CA 0.752 54.774 54.000 0.035 0.000 0.831 389 D CB -0.250 40.622 40.800 0.120 0.000 0.974 389 D HN 0.374 nan 8.370 nan 0.000 0.469 390 L N 1.004 122.065 121.223 -0.271 0.000 2.191 390 L HA -0.111 4.232 4.340 0.005 0.000 0.212 390 L C 2.362 179.202 176.870 -0.050 0.000 1.103 390 L CA 0.532 55.204 54.840 -0.280 0.000 0.769 390 L CB -0.452 41.315 42.059 -0.486 0.000 0.908 390 L HN -0.070 nan 8.230 nan 0.000 0.438 391 S N 0.535 116.219 115.700 -0.027 0.000 2.407 391 S HA -0.177 4.296 4.470 0.005 0.000 0.235 391 S C 1.931 176.594 174.600 0.104 0.000 1.036 391 S CA 1.246 59.492 58.200 0.076 0.000 1.013 391 S CB -0.292 62.966 63.200 0.097 0.000 0.820 391 S HN 0.391 nan 8.310 nan 0.000 0.476 392 L N 0.478 121.683 121.223 -0.030 0.000 2.275 392 L HA -0.004 4.339 4.340 0.005 0.000 0.215 392 L C 2.603 179.434 176.870 -0.066 0.000 1.119 392 L CA 1.061 55.872 54.840 -0.049 0.000 0.790 392 L CB -0.346 41.678 42.059 -0.058 0.000 0.919 392 L HN 0.296 nan 8.230 nan 0.000 0.443 393 R N -0.441 119.899 120.500 -0.266 0.000 2.195 393 R HA 0.017 4.360 4.340 0.005 0.000 0.197 393 R C 1.768 177.762 176.300 -0.509 0.000 0.990 393 R CA 0.574 56.361 56.100 -0.523 0.000 1.048 393 R CB 0.089 29.775 30.300 -1.023 0.000 0.997 393 R HN 0.140 nan 8.270 nan 0.000 0.502 394 F N 0.898 120.816 119.950 -0.053 0.000 2.731 394 F HA 0.215 4.745 4.527 0.005 0.000 0.298 394 F C 0.628 176.417 175.800 -0.019 0.000 1.106 394 F CA -0.361 57.616 58.000 -0.039 0.000 1.329 394 F CB 0.309 39.258 39.000 -0.087 0.000 1.100 394 F HN -0.013 nan 8.300 nan 0.000 0.592 395 D N 1.863 122.336 120.400 0.122 0.000 2.351 395 D HA 0.047 4.690 4.640 0.005 0.000 0.251 395 D C -1.970 174.324 176.300 -0.010 0.000 1.137 395 D CA -1.547 52.469 54.000 0.027 0.000 0.879 395 D CB 1.878 42.655 40.800 -0.038 0.000 1.181 395 D HN -0.007 nan 8.370 nan 0.000 0.448 396 P HA -0.089 nan 4.420 nan 0.000 0.217 396 P C 0.814 178.078 177.300 -0.060 0.000 1.150 396 P CA 1.224 64.304 63.100 -0.032 0.000 0.832 396 P CB 0.254 31.935 31.700 -0.030 0.000 0.787 397 A N -1.785 120.959 122.820 -0.126 0.000 1.898 397 A HA -0.151 4.172 4.320 0.005 0.000 0.214 397 A C 2.097 179.651 177.584 -0.050 0.000 1.183 397 A CA 1.067 53.029 52.037 -0.124 0.000 0.622 397 A CB -1.755 17.135 19.000 -0.183 0.000 0.824 397 A HN 0.166 nan 8.150 nan 0.000 0.444 398 Y N -0.362 119.894 120.300 -0.073 0.000 2.165 398 Y HA -0.238 4.315 4.550 0.005 0.000 0.286 398 Y C 2.708 178.549 175.900 -0.098 0.000 1.155 398 Y CA 0.931 58.974 58.100 -0.094 0.000 1.164 398 Y CB -0.028 38.383 38.460 -0.082 0.000 0.978 398 Y HN 0.344 nan 8.280 nan 0.000 0.513 399 E N 1.420 121.676 120.200 0.094 0.000 2.086 399 E HA -0.258 4.095 4.350 0.005 0.000 0.200 399 E C 1.752 178.351 176.600 -0.002 0.000 1.012 399 E CA 1.667 58.103 56.400 0.060 0.000 0.812 399 E CB -0.118 29.596 29.700 0.024 0.000 0.743 399 E HN 0.489 nan 8.360 nan 0.000 0.453 400 K N -0.260 120.107 120.400 -0.054 0.000 2.148 400 K HA -0.054 4.269 4.320 0.005 0.000 0.204 400 K C 2.359 178.838 176.600 -0.202 0.000 1.050 400 K CA 1.113 57.331 56.287 -0.114 0.000 0.942 400 K CB -0.018 32.425 32.500 -0.094 0.000 0.724 400 K HN 0.218 nan 8.250 nan 0.000 0.446 401 I N 0.369 120.800 120.570 -0.231 0.000 2.277 401 I HA -0.200 3.973 4.170 0.005 0.000 0.243 401 I C 2.155 177.856 176.117 -0.692 0.000 1.094 401 I CA 0.790 61.801 61.300 -0.483 0.000 1.393 401 I CB -0.198 37.548 38.000 -0.423 0.000 1.078 401 I HN -0.005 nan 8.210 nan 0.000 0.417 402 S N 0.709 116.158 115.700 -0.419 0.000 2.374 402 S HA -0.187 4.286 4.470 0.005 0.000 0.227 402 S C 2.105 176.374 174.600 -0.552 0.000 1.037 402 S CA 1.314 59.189 58.200 -0.541 0.000 1.024 402 S CB -0.322 62.885 63.200 0.012 0.000 0.861 402 S HN 0.334 nan 8.310 nan 0.000 0.456 403 R N 0.716 121.022 120.500 -0.324 0.000 2.081 403 R HA -0.029 4.314 4.340 0.005 0.000 0.235 403 R C 2.610 178.716 176.300 -0.322 0.000 1.131 403 R CA 1.265 57.091 56.100 -0.456 0.000 0.960 403 R CB -0.362 29.691 30.300 -0.411 0.000 0.856 403 R HN 0.381 nan 8.270 nan 0.000 0.436 404 R N 0.371 120.690 120.500 -0.302 0.000 2.081 404 R HA -0.099 4.244 4.340 0.005 0.000 0.235 404 R C 2.132 178.408 176.300 -0.039 0.000 1.131 404 R CA 1.428 57.415 56.100 -0.189 0.000 0.960 404 R CB -0.327 29.851 30.300 -0.203 0.000 0.856 404 R HN 0.196 nan 8.270 nan 0.000 0.436 405 F N -0.614 119.175 119.950 -0.269 0.000 2.171 405 F HA -0.217 4.313 4.527 0.005 0.000 0.300 405 F C 2.539 178.210 175.800 -0.216 0.000 1.090 405 F CA 0.713 58.561 58.000 -0.253 0.000 1.293 405 F CB -0.335 38.379 39.000 -0.477 0.000 1.013 405 F HN 0.281 nan 8.300 nan 0.000 0.486 406 H N 0.987 119.855 119.070 -0.337 0.000 2.289 406 H HA -0.180 4.379 4.556 0.005 0.000 0.296 406 H C 1.845 177.129 175.328 -0.075 0.000 1.091 406 H CA 2.187 58.148 56.048 -0.145 0.000 1.274 406 H CB -0.345 29.270 29.762 -0.244 0.000 1.364 406 H HN 0.256 nan 8.280 nan 0.000 0.490 407 E N -0.584 119.511 120.200 -0.175 0.000 2.274 407 E HA -0.030 4.324 4.350 0.005 0.000 0.194 407 E C -0.060 176.487 176.600 -0.087 0.000 0.996 407 E CA 0.682 56.961 56.400 -0.202 0.000 0.840 407 E CB 0.245 29.843 29.700 -0.169 0.000 0.772 407 E HN 0.452 nan 8.360 nan 0.000 0.491 408 N N 0.381 119.081 118.700 -0.000 0.000 2.752 408 N HA 0.115 4.858 4.740 0.005 0.000 0.260 408 N C -2.419 173.156 175.510 0.109 0.000 1.562 408 N CA -0.884 52.197 53.050 0.052 0.000 0.788 408 N CB 1.445 39.984 38.487 0.087 0.000 1.192 408 N HN -0.043 nan 8.380 nan 0.000 0.503 409 P HA -0.093 nan 4.420 nan 0.000 0.221 409 P C 1.147 178.513 177.300 0.111 0.000 1.145 409 P CA 1.123 64.212 63.100 -0.018 0.000 0.795 409 P CB 0.603 31.886 31.700 -0.696 0.000 0.775 410 E N -0.360 119.897 120.200 0.096 0.000 2.106 410 E HA -0.202 4.151 4.350 0.005 0.000 0.192 410 E C 2.081 178.757 176.600 0.125 0.000 0.984 410 E CA 0.967 57.438 56.400 0.118 0.000 0.806 410 E CB -0.261 29.494 29.700 0.091 0.000 0.750 410 E HN 0.429 nan 8.360 nan 0.000 0.458 411 Q N -0.255 119.638 119.800 0.155 0.000 2.119 411 Q HA -0.156 4.187 4.340 0.005 0.000 0.201 411 Q C 2.049 178.096 176.000 0.080 0.000 0.972 411 Q CA 0.975 56.888 55.803 0.183 0.000 0.847 411 Q CB -0.184 28.727 28.738 0.288 0.000 0.903 411 Q HN 0.245 nan 8.270 nan 0.000 0.433 412 F N 1.594 121.421 119.950 -0.206 0.000 2.102 412 F HA -0.170 4.360 4.527 0.005 0.000 0.298 412 F C 2.121 177.861 175.800 -0.099 0.000 1.105 412 F CA 1.368 58.975 58.000 -0.654 0.000 1.239 412 F CB -0.835 38.032 39.000 -0.222 0.000 0.991 412 F HN -0.009 nan 8.300 nan 0.000 0.474 413 A N -0.042 122.790 122.820 0.021 0.000 1.883 413 A HA -0.274 4.049 4.320 0.005 0.000 0.217 413 A C 2.008 179.619 177.584 0.045 0.000 1.186 413 A CA 2.161 54.231 52.037 0.056 0.000 0.624 413 A CB -1.422 17.642 19.000 0.108 0.000 0.822 413 A HN 0.511 nan 8.150 nan 0.000 0.444 414 D N -0.574 119.846 120.400 0.032 0.000 2.117 414 D HA -0.013 4.630 4.640 0.005 0.000 0.197 414 D C 2.017 178.356 176.300 0.065 0.000 0.987 414 D CA 1.638 55.663 54.000 0.043 0.000 0.829 414 D CB -0.193 40.645 40.800 0.063 0.000 0.961 414 D HN 0.344 nan 8.370 nan 0.000 0.460 415 A N -0.364 122.497 122.820 0.069 0.000 1.898 415 A HA -0.090 4.233 4.320 0.005 0.000 0.216 415 A C 2.281 179.976 177.584 0.184 0.000 1.181 415 A CA 1.068 53.178 52.037 0.123 0.000 0.620 415 A CB -1.244 17.853 19.000 0.162 0.000 0.819 415 A HN 0.492 nan 8.150 nan 0.000 0.442 416 F N 0.679 120.616 119.950 -0.021 0.000 2.134 416 F HA -0.087 4.442 4.527 0.005 0.000 0.299 416 F C 2.511 178.395 175.800 0.141 0.000 1.097 416 F CA 1.004 59.001 58.000 -0.005 0.000 1.264 416 F CB -0.028 38.811 39.000 -0.268 0.000 1.001 416 F HN 0.295 nan 8.300 nan 0.000 0.479 417 A N 0.960 123.874 122.820 0.157 0.000 1.902 417 A HA -0.197 4.126 4.320 0.005 0.000 0.217 417 A C 2.179 179.806 177.584 0.071 0.000 1.181 417 A CA 1.685 53.797 52.037 0.125 0.000 0.623 417 A CB -0.696 18.361 19.000 0.094 0.000 0.818 417 A HN 0.456 nan 8.150 nan 0.000 0.443 418 R N -0.681 119.775 120.500 -0.073 0.000 2.092 418 R HA 0.012 4.355 4.340 0.005 0.000 0.231 418 R C 2.402 178.720 176.300 0.030 0.000 1.119 418 R CA 1.095 57.041 56.100 -0.256 0.000 0.970 418 R CB -0.365 29.769 30.300 -0.276 0.000 0.864 418 R HN 0.503 nan 8.270 nan 0.000 0.440 419 A N 0.810 123.694 122.820 0.106 0.000 1.968 419 A HA -0.147 4.176 4.320 0.005 0.000 0.217 419 A C 1.828 179.501 177.584 0.148 0.000 1.169 419 A CA 0.533 52.647 52.037 0.128 0.000 0.638 419 A CB -0.768 18.352 19.000 0.199 0.000 0.812 419 A HN 0.580 nan 8.150 nan 0.000 0.446 420 W N -0.275 121.011 121.300 -0.022 0.000 2.358 420 W HA -0.236 4.427 4.660 0.005 0.000 0.303 420 W C 1.786 178.363 176.519 0.096 0.000 1.208 420 W CA 1.797 59.121 57.345 -0.035 0.000 1.274 420 W CB -0.446 28.829 29.460 -0.308 0.000 1.138 420 W HN 0.403 nan 8.180 nan 0.000 0.515 421 F N 2.130 122.148 119.950 0.115 0.000 2.095 421 F HA -0.219 4.311 4.527 0.004 0.000 0.298 421 F C 2.640 178.475 175.800 0.058 0.000 1.104 421 F CA 2.841 60.920 58.000 0.131 0.000 1.232 421 F CB -0.861 38.270 39.000 0.218 0.000 0.987 421 F HN -0.192 nan 8.300 nan 0.000 0.475 422 K N 0.217 120.534 120.400 -0.138 0.000 2.002 422 K HA -0.226 4.097 4.320 0.005 0.000 0.209 422 K C 2.199 178.372 176.600 -0.712 0.000 1.048 422 K CA 1.761 57.622 56.287 -0.710 0.000 0.930 422 K CB -0.734 31.297 32.500 -0.781 0.000 0.714 422 K HN 0.332 nan 8.250 nan 0.000 0.438 423 L N 1.556 122.523 121.223 -0.426 0.000 2.034 423 L HA -0.229 4.114 4.340 0.005 0.000 0.217 423 L C 2.204 178.794 176.870 -0.466 0.000 1.077 423 L CA 2.840 57.472 54.840 -0.346 0.000 0.769 423 L CB -1.106 40.840 42.059 -0.188 0.000 0.890 423 L HN 0.553 nan 8.230 nan 0.000 0.435 424 T N -5.348 108.871 114.554 -0.558 0.000 3.081 424 T HA -0.014 4.339 4.350 0.005 0.000 0.255 424 T C 1.135 175.389 174.700 -0.742 0.000 1.113 424 T CA 1.141 62.869 62.100 -0.620 0.000 1.082 424 T CB -0.495 67.954 68.868 -0.698 0.000 0.939 424 T HN 0.577 nan 8.240 nan 0.000 0.506 425 H N -0.990 117.709 119.070 -0.618 0.000 3.058 425 H HA 0.489 5.048 4.556 0.005 0.000 0.266 425 H C 1.911 177.039 175.328 -0.333 0.000 1.135 425 H CA -0.459 55.285 56.048 -0.508 0.000 1.174 425 H CB 0.402 29.699 29.762 -0.775 0.000 1.581 425 H HN 0.036 nan 8.280 nan 0.000 0.553 426 R N 1.670 121.863 120.500 -0.512 0.000 2.117 426 R HA -0.113 4.230 4.340 0.005 0.000 0.243 426 R C 0.612 176.674 176.300 -0.396 0.000 1.143 426 R CA 2.006 57.734 56.100 -0.620 0.000 0.968 426 R CB -0.215 29.530 30.300 -0.925 0.000 0.863 426 R HN 0.466 nan 8.270 nan 0.000 0.444 427 D N -1.707 118.441 120.400 -0.419 0.000 2.427 427 D HA -0.008 4.635 4.640 0.005 0.000 0.224 427 D C 1.117 177.341 176.300 -0.127 0.000 1.157 427 D CA 0.047 53.898 54.000 -0.248 0.000 0.828 427 D CB -0.103 40.555 40.800 -0.236 0.000 0.974 427 D HN 0.288 nan 8.370 nan 0.000 0.498 428 M N 0.198 119.756 119.600 -0.069 0.000 2.509 428 M HA 0.211 4.694 4.480 0.005 0.000 0.250 428 M C 0.954 177.219 176.300 -0.057 0.000 1.132 428 M CA 0.722 56.001 55.300 -0.035 0.000 1.080 428 M CB 0.296 32.940 32.600 0.073 0.000 1.408 428 M HN 0.313 nan 8.290 nan 0.000 0.484 429 G N 0.987 109.769 108.800 -0.030 0.000 2.568 429 G HA2 -0.176 3.787 3.960 0.005 0.000 0.222 429 G HA3 -0.176 3.787 3.960 0.005 0.000 0.222 429 G C -2.844 171.970 174.900 -0.144 0.000 1.321 429 G CA -1.220 43.822 45.100 -0.097 0.000 0.893 429 G HN 0.158 nan 8.290 nan 0.000 0.569 430 P HA 0.251 nan 4.420 nan 0.000 0.267 430 P C 1.033 178.072 177.300 -0.434 0.000 1.200 430 P CA -0.006 62.974 63.100 -0.200 0.000 0.772 430 P CB 0.283 31.973 31.700 -0.016 0.000 0.855 431 R N 2.471 122.637 120.500 -0.557 0.000 2.159 431 R HA -0.179 4.165 4.340 0.005 0.000 0.237 431 R C 2.009 178.025 176.300 -0.473 0.000 1.131 431 R CA 1.573 57.154 56.100 -0.866 0.000 0.982 431 R CB -0.905 29.057 30.300 -0.563 0.000 0.868 431 R HN 0.526 nan 8.270 nan 0.000 0.453 432 A N 1.543 124.220 122.820 -0.238 0.000 1.986 432 A HA -0.209 4.114 4.320 0.005 0.000 0.220 432 A C 1.905 179.451 177.584 -0.064 0.000 1.171 432 A CA 1.365 53.347 52.037 -0.090 0.000 0.640 432 A CB -0.376 18.629 19.000 0.009 0.000 0.811 432 A HN 0.287 nan 8.150 nan 0.000 0.451 433 R N -1.880 118.533 120.500 -0.145 0.000 2.307 433 R HA 0.030 4.374 4.340 0.005 0.000 0.199 433 R C -0.434 175.913 176.300 0.077 0.000 1.000 433 R CA -0.065 55.980 56.100 -0.092 0.000 1.023 433 R CB -0.093 30.046 30.300 -0.269 0.000 0.908 433 R HN 0.476 nan 8.270 nan 0.000 0.473 434 Y N 1.598 121.838 120.300 -0.099 0.000 2.465 434 Y HA 0.160 4.713 4.550 0.006 0.000 0.331 434 Y C 0.602 176.454 175.900 -0.080 0.000 1.102 434 Y CA -0.653 57.393 58.100 -0.091 0.000 1.358 434 Y CB 0.141 38.575 38.460 -0.042 0.000 1.213 434 Y HN -0.106 nan 8.280 nan 0.000 0.525 435 L N 2.376 123.595 121.223 -0.005 0.000 2.342 435 L HA 0.877 5.220 4.340 0.005 0.000 0.271 435 L C 0.555 177.535 176.870 0.184 0.000 1.008 435 L CA -0.789 54.078 54.840 0.045 0.000 0.818 435 L CB 1.972 43.995 42.059 -0.062 0.000 1.296 435 L HN 0.790 nan 8.230 nan 0.000 0.427 436 G N 2.057 111.026 108.800 0.283 0.000 2.498 436 G HA2 -0.098 3.865 3.960 0.005 0.000 0.651 436 G HA3 -0.098 3.865 3.960 0.005 0.000 0.651 436 G C -2.577 172.429 174.900 0.176 0.000 1.284 436 G CA -0.324 44.982 45.100 0.343 0.000 0.950 436 G HN 0.503 nan 8.290 nan 0.000 0.511 437 P HA 0.209 nan 4.420 nan 0.000 0.255 437 P C 0.546 177.884 177.300 0.063 0.000 1.248 437 P CA 0.762 63.904 63.100 0.070 0.000 0.807 437 P CB 0.403 32.124 31.700 0.035 0.000 1.150 438 E N -0.126 120.144 120.200 0.117 0.000 2.496 438 E HA 0.158 4.511 4.350 0.005 0.000 0.200 438 E C -0.289 176.320 176.600 0.015 0.000 1.016 438 E CA -0.246 56.205 56.400 0.084 0.000 0.962 438 E CB 0.841 30.655 29.700 0.191 0.000 1.071 438 E HN 0.012 nan 8.360 nan 0.000 0.457 439 V N 3.635 123.547 119.914 -0.002 0.000 2.455 439 V HA 0.111 4.234 4.120 0.005 0.000 0.273 439 V C -2.012 173.998 176.094 -0.140 0.000 1.045 439 V CA -1.581 60.694 62.300 -0.042 0.000 0.976 439 V CB 0.356 32.215 31.823 0.061 0.000 0.993 439 V HN 0.110 nan 8.190 nan 0.000 0.475 440 P HA 0.160 nan 4.420 nan 0.000 0.268 440 P C 0.452 177.617 177.300 -0.226 0.000 1.204 440 P CA -0.065 62.770 63.100 -0.441 0.000 0.768 440 P CB 0.880 32.120 31.700 -0.767 0.000 0.842 441 A N 2.608 125.300 122.820 -0.214 0.000 1.970 441 A HA -0.091 4.232 4.320 0.005 0.000 0.216 441 A C 1.054 178.583 177.584 -0.090 0.000 1.170 441 A CA 0.533 52.498 52.037 -0.119 0.000 0.645 441 A CB -0.768 18.167 19.000 -0.109 0.000 0.816 441 A HN 0.649 nan 8.150 nan 0.000 0.447 442 E N 0.781 120.918 120.200 -0.106 0.000 2.480 442 E HA 0.233 4.586 4.350 0.005 0.000 0.258 442 E C -1.022 175.589 176.600 0.018 0.000 0.984 442 E CA -0.276 56.119 56.400 -0.009 0.000 0.930 442 E CB 0.449 30.211 29.700 0.102 0.000 0.936 442 E HN 0.159 nan 8.360 nan 0.000 0.466 443 V N 6.624 126.530 119.914 -0.014 0.000 2.498 443 V HA 0.200 4.323 4.120 0.005 0.000 0.279 443 V C 0.244 176.293 176.094 -0.075 0.000 1.048 443 V CA -0.286 61.977 62.300 -0.062 0.000 0.967 443 V CB 0.842 32.620 31.823 -0.074 0.000 0.988 443 V HN 0.547 nan 8.190 nan 0.000 0.473 444 L N 4.574 125.681 121.223 -0.194 0.000 2.334 444 L HA 0.391 4.734 4.340 0.005 0.000 0.276 444 L C 0.934 177.625 176.870 -0.300 0.000 1.014 444 L CA -0.633 54.060 54.840 -0.246 0.000 0.815 444 L CB 1.554 43.347 42.059 -0.444 0.000 1.268 444 L HN 0.492 nan 8.230 nan 0.000 0.428 445 L N 3.374 124.533 121.223 -0.106 0.000 2.129 445 L HA -0.187 4.156 4.340 0.005 0.000 0.212 445 L C 2.035 178.902 176.870 -0.006 0.000 1.087 445 L CA 1.934 56.758 54.840 -0.027 0.000 0.757 445 L CB -0.541 41.554 42.059 0.061 0.000 0.896 445 L HN 0.798 nan 8.230 nan 0.000 0.434 446 W N -1.213 120.125 121.300 0.063 0.000 2.595 446 W HA -0.075 4.588 4.660 0.004 0.000 0.257 446 W C 1.390 177.937 176.519 0.046 0.000 1.267 446 W CA 0.260 57.639 57.345 0.058 0.000 1.300 446 W CB -1.089 28.406 29.460 0.059 0.000 1.120 446 W HN 0.319 nan 8.180 nan 0.000 0.618 447 Q N 1.005 120.540 119.800 -0.442 0.000 2.482 447 Q HA -0.062 4.281 4.340 0.005 0.000 0.209 447 Q C -0.339 175.581 176.000 -0.133 0.000 0.961 447 Q CA 0.585 56.148 55.803 -0.400 0.000 0.945 447 Q CB -0.382 27.950 28.738 -0.676 0.000 1.012 447 Q HN 0.060 nan 8.270 nan 0.000 0.515 448 D N 0.964 121.334 120.400 -0.051 0.000 2.737 448 D HA -0.123 4.520 4.640 0.005 0.000 0.238 448 D C -2.462 173.805 176.300 -0.055 0.000 1.157 448 D CA 0.448 54.438 54.000 -0.016 0.000 0.694 448 D CB -0.730 40.087 40.800 0.028 0.000 1.021 448 D HN 0.276 nan 8.370 nan 0.000 0.420 449 P HA 0.157 nan 4.420 nan 0.000 0.272 449 P C 0.265 177.529 177.300 -0.061 0.000 1.230 449 P CA -0.309 62.733 63.100 -0.096 0.000 0.788 449 P CB 0.872 32.511 31.700 -0.101 0.000 0.949 450 I N 2.019 122.552 120.570 -0.063 0.000 2.406 450 I HA 0.307 4.480 4.170 0.005 0.000 0.290 450 I C -2.113 173.978 176.117 -0.044 0.000 0.999 450 I CA -2.575 58.700 61.300 -0.043 0.000 1.124 450 I CB 0.780 38.758 38.000 -0.037 0.000 1.289 450 I HN 0.154 nan 8.210 nan 0.000 0.441 451 P HA 0.173 nan 4.420 nan 0.000 0.268 451 P C -0.207 177.073 177.300 -0.033 0.000 1.208 451 P CA -0.214 62.870 63.100 -0.027 0.000 0.777 451 P CB 0.623 32.318 31.700 -0.009 0.000 0.875 452 A N 2.189 124.986 122.820 -0.037 0.000 2.445 452 A HA 0.233 4.556 4.320 0.005 0.000 0.242 452 A C 0.014 177.561 177.584 -0.061 0.000 1.075 452 A CA -0.316 51.691 52.037 -0.050 0.000 0.777 452 A CB -0.026 18.945 19.000 -0.048 0.000 1.013 452 A HN 0.395 nan 8.150 nan 0.000 0.493 453 V N 2.638 122.491 119.914 -0.102 0.000 2.488 453 V HA 0.201 4.324 4.120 0.005 0.000 0.277 453 V C 0.089 176.054 176.094 -0.214 0.000 1.046 453 V CA 0.565 62.745 62.300 -0.199 0.000 0.986 453 V CB 1.082 32.754 31.823 -0.252 0.000 0.989 453 V HN 1.028 nan 8.190 nan 0.000 0.475 454 D N 1.705 121.974 120.400 -0.219 0.000 2.535 454 D HA 0.182 4.825 4.640 0.005 0.000 0.229 454 D C -0.003 176.268 176.300 -0.048 0.000 1.238 454 D CA -0.273 53.669 54.000 -0.097 0.000 0.824 454 D CB -0.025 40.772 40.800 -0.006 0.000 1.045 454 D HN 0.759 nan 8.370 nan 0.000 0.500 455 H N -3.056 116.019 119.070 0.009 0.000 2.949 455 H HA 0.762 5.321 4.556 0.005 0.000 0.356 455 H C -2.976 172.365 175.328 0.021 0.000 1.212 455 H CA -2.371 53.687 56.048 0.016 0.000 1.136 455 H CB -0.262 29.514 29.762 0.023 0.000 1.869 455 H HN -0.343 nan 8.280 nan 0.000 0.556 456 P HA 0.054 nan 4.420 nan 0.000 0.266 456 P C -0.370 177.087 177.300 0.261 0.000 1.195 456 P CA 0.034 63.227 63.100 0.155 0.000 0.768 456 P CB 0.557 32.332 31.700 0.125 0.000 0.838 457 L N 3.084 124.393 121.223 0.144 0.000 2.421 457 L HA 0.384 4.727 4.340 0.005 0.000 0.263 457 L C 1.107 178.077 176.870 0.165 0.000 1.122 457 L CA -1.199 53.739 54.840 0.164 0.000 0.804 457 L CB 0.239 42.343 42.059 0.075 0.000 1.150 457 L HN 0.376 nan 8.230 nan 0.000 0.457 458 I N -1.050 119.630 120.570 0.182 0.000 2.815 458 I HA 0.060 4.233 4.170 0.005 0.000 0.291 458 I C -0.135 176.065 176.117 0.137 0.000 1.209 458 I CA -0.452 60.950 61.300 0.170 0.000 1.431 458 I CB 0.193 38.255 38.000 0.103 0.000 1.351 458 I HN 0.605 nan 8.210 nan 0.000 0.585 459 D N 4.359 124.837 120.400 0.129 0.000 2.564 459 D HA 0.525 5.168 4.640 0.005 0.000 0.273 459 D C 0.967 177.325 176.300 0.097 0.000 1.192 459 D CA -0.272 53.788 54.000 0.100 0.000 1.080 459 D CB 0.862 41.712 40.800 0.083 0.000 1.160 459 D HN 0.593 nan 8.370 nan 0.000 0.607 460 A N -0.313 122.555 122.820 0.080 0.000 1.933 460 A HA 0.038 4.361 4.320 0.005 0.000 0.218 460 A C 2.144 179.762 177.584 0.057 0.000 1.175 460 A CA 2.471 54.551 52.037 0.072 0.000 0.628 460 A CB -1.444 17.591 19.000 0.059 0.000 0.814 460 A HN 0.660 nan 8.150 nan 0.000 0.444 461 A N 0.081 122.938 122.820 0.061 0.000 1.898 461 A HA -0.163 4.160 4.320 0.005 0.000 0.216 461 A C 1.744 179.373 177.584 0.076 0.000 1.181 461 A CA 1.763 53.837 52.037 0.061 0.000 0.620 461 A CB -0.491 18.547 19.000 0.064 0.000 0.819 461 A HN 0.490 nan 8.150 nan 0.000 0.442 462 D N 0.268 120.730 120.400 0.105 0.000 2.144 462 D HA -0.031 4.612 4.640 0.005 0.000 0.200 462 D C 2.223 178.506 176.300 -0.030 0.000 0.978 462 D CA 1.388 55.466 54.000 0.130 0.000 0.833 462 D CB -0.492 40.439 40.800 0.219 0.000 0.961 462 D HN 0.424 nan 8.370 nan 0.000 0.470 463 A N 1.354 124.157 122.820 -0.029 0.000 1.908 463 A HA -0.098 4.225 4.320 0.005 0.000 0.218 463 A C 2.347 179.868 177.584 -0.105 0.000 1.181 463 A CA 2.341 54.313 52.037 -0.109 0.000 0.627 463 A CB -0.682 18.291 19.000 -0.045 0.000 0.818 463 A HN 0.252 nan 8.150 nan 0.000 0.445 464 A N -0.654 122.144 122.820 -0.037 0.000 1.898 464 A HA -0.141 4.182 4.320 0.005 0.000 0.216 464 A C 2.042 179.611 177.584 -0.025 0.000 1.181 464 A CA 1.674 53.695 52.037 -0.027 0.000 0.620 464 A CB -0.508 18.494 19.000 0.003 0.000 0.819 464 A HN 0.667 nan 8.150 nan 0.000 0.442 465 E N -0.066 120.134 120.200 -0.001 0.000 2.058 465 E HA -0.190 4.163 4.350 0.005 0.000 0.194 465 E C 1.931 178.518 176.600 -0.022 0.000 0.997 465 E CA 1.305 57.720 56.400 0.024 0.000 0.801 465 E CB -0.219 29.548 29.700 0.112 0.000 0.746 465 E HN 0.612 nan 8.360 nan 0.000 0.450 466 L N 0.564 121.716 121.223 -0.119 0.000 2.083 466 L HA -0.192 4.151 4.340 0.005 0.000 0.209 466 L C 2.620 179.408 176.870 -0.136 0.000 1.083 466 L CA 1.309 56.036 54.840 -0.188 0.000 0.752 466 L CB -0.232 41.602 42.059 -0.374 0.000 0.899 466 L HN 0.052 nan 8.230 nan 0.000 0.433 467 K N -0.240 120.082 120.400 -0.131 0.000 2.097 467 K HA -0.092 4.231 4.320 0.005 0.000 0.205 467 K C 2.265 178.828 176.600 -0.061 0.000 1.050 467 K CA 1.139 57.364 56.287 -0.104 0.000 0.938 467 K CB -0.221 32.218 32.500 -0.102 0.000 0.718 467 K HN 0.276 nan 8.250 nan 0.000 0.442 468 A N 1.957 124.751 122.820 -0.043 0.000 1.908 468 A HA -0.222 4.101 4.320 0.005 0.000 0.218 468 A C 1.917 179.491 177.584 -0.017 0.000 1.181 468 A CA 1.644 53.668 52.037 -0.021 0.000 0.627 468 A CB -0.303 18.694 19.000 -0.006 0.000 0.818 468 A HN 0.186 nan 8.150 nan 0.000 0.445 469 K N -0.648 119.742 120.400 -0.017 0.000 2.097 469 K HA -0.029 4.294 4.320 0.005 0.000 0.205 469 K C 1.882 178.471 176.600 -0.018 0.000 1.050 469 K CA 1.213 57.495 56.287 -0.008 0.000 0.938 469 K CB -0.319 32.186 32.500 0.007 0.000 0.718 469 K HN 0.278 nan 8.250 nan 0.000 0.442 470 V N 1.851 121.744 119.914 -0.036 0.000 2.287 470 V HA -0.257 3.866 4.120 0.005 0.000 0.248 470 V C 2.135 178.215 176.094 -0.024 0.000 1.053 470 V CA 1.708 63.987 62.300 -0.035 0.000 1.027 470 V CB -0.363 31.428 31.823 -0.054 0.000 0.646 470 V HN 0.292 nan 8.190 nan 0.000 0.447 471 L N -0.126 121.081 121.223 -0.026 0.000 2.201 471 L HA -0.095 4.248 4.340 0.005 0.000 0.212 471 L C 2.451 179.314 176.870 -0.012 0.000 1.105 471 L CA 1.322 56.150 54.840 -0.020 0.000 0.775 471 L CB -0.615 41.431 42.059 -0.022 0.000 0.913 471 L HN 0.364 nan 8.230 nan 0.000 0.440 472 A N -0.467 122.348 122.820 -0.009 0.000 2.132 472 A HA -0.063 4.260 4.320 0.005 0.000 0.213 472 A C 2.405 179.987 177.584 -0.002 0.000 1.154 472 A CA 0.955 52.989 52.037 -0.004 0.000 0.753 472 A CB -0.292 18.708 19.000 -0.001 0.000 0.826 472 A HN 0.445 nan 8.150 nan 0.000 0.469 473 S N -1.594 114.104 115.700 -0.003 0.000 2.481 473 S HA 0.297 4.770 4.470 0.005 0.000 0.231 473 S C 1.526 176.126 174.600 -0.000 0.000 0.996 473 S CA 1.239 59.439 58.200 -0.001 0.000 0.942 473 S CB -0.332 62.867 63.200 -0.002 0.000 0.768 473 S HN 1.814 nan 8.310 nan 0.000 0.520 474 G N 0.535 109.334 108.800 -0.002 0.000 2.176 474 G HA2 -0.198 3.765 3.960 0.005 0.000 0.232 474 G HA3 -0.198 3.765 3.960 0.005 0.000 0.232 474 G C -0.060 174.840 174.900 -0.001 0.000 0.986 474 G CA 0.020 45.119 45.100 -0.001 0.000 0.643 474 G HN 0.516 nan 8.290 nan 0.000 0.522 475 L N 2.046 123.269 121.223 -0.001 0.000 2.456 475 L HA 0.442 4.785 4.340 0.005 0.000 0.272 475 L C 1.618 178.487 176.870 -0.003 0.000 1.189 475 L CA 0.552 55.393 54.840 0.001 0.000 0.846 475 L CB 0.690 42.750 42.059 0.001 0.000 1.111 475 L HN 0.441 nan 8.230 nan 0.000 0.475 476 T N -0.907 113.647 114.554 -0.001 0.000 2.902 476 T HA 0.263 4.616 4.350 0.005 0.000 0.280 476 T C 1.300 175.992 174.700 -0.013 0.000 0.992 476 T CA -0.969 61.127 62.100 -0.007 0.000 1.015 476 T CB 1.597 70.463 68.868 -0.004 0.000 1.044 476 T HN 0.241 nan 8.240 nan 0.000 0.520 477 V N 1.449 121.347 119.914 -0.026 0.000 2.250 477 V HA -0.232 3.891 4.120 0.005 0.000 0.250 477 V C 3.046 179.118 176.094 -0.035 0.000 1.060 477 V CA 2.683 64.956 62.300 -0.045 0.000 1.030 477 V CB -1.279 30.504 31.823 -0.066 0.000 0.643 477 V HN 1.129 nan 8.190 nan 0.000 0.445 478 S N -1.143 114.541 115.700 -0.026 0.000 2.374 478 S HA -0.328 4.145 4.470 0.005 0.000 0.227 478 S C 2.029 176.642 174.600 0.021 0.000 1.037 478 S CA 2.351 60.545 58.200 -0.011 0.000 1.024 478 S CB -0.282 62.913 63.200 -0.009 0.000 0.861 478 S HN 0.727 nan 8.310 nan 0.000 0.456 479 Q N 0.161 119.974 119.800 0.022 0.000 2.046 479 Q HA -0.014 4.329 4.340 0.005 0.000 0.200 479 Q C 2.379 178.415 176.000 0.060 0.000 0.975 479 Q CA 1.682 57.508 55.803 0.039 0.000 0.836 479 Q CB -0.303 28.451 28.738 0.027 0.000 0.896 479 Q HN 0.534 nan 8.270 nan 0.000 0.428 480 L N -0.268 120.983 121.223 0.047 0.000 2.017 480 L HA -0.184 4.159 4.340 0.005 0.000 0.208 480 L C 2.362 179.314 176.870 0.137 0.000 1.073 480 L CA 0.830 55.710 54.840 0.067 0.000 0.745 480 L CB -0.525 41.550 42.059 0.027 0.000 0.894 480 L HN 0.097 nan 8.230 nan 0.000 0.432 481 V N -0.824 119.152 119.914 0.103 0.000 2.307 481 V HA -0.242 3.881 4.120 0.005 0.000 0.245 481 V C 2.571 178.869 176.094 0.341 0.000 1.045 481 V CA 2.023 64.430 62.300 0.178 0.000 1.024 481 V CB -0.346 31.453 31.823 -0.039 0.000 0.651 481 V HN 0.379 nan 8.190 nan 0.000 0.449 482 S N -0.109 115.722 115.700 0.219 0.000 2.368 482 S HA -0.206 4.267 4.470 0.005 0.000 0.225 482 S C 2.052 176.814 174.600 0.271 0.000 1.030 482 S CA 1.964 60.314 58.200 0.251 0.000 0.999 482 S CB -0.473 62.816 63.200 0.148 0.000 0.844 482 S HN 0.697 nan 8.310 nan 0.000 0.459 483 T N 2.393 117.067 114.554 0.199 0.000 2.737 483 T HA 0.005 4.358 4.350 0.005 0.000 0.265 483 T C 2.180 176.979 174.700 0.165 0.000 1.038 483 T CA 1.225 63.416 62.100 0.151 0.000 1.144 483 T CB -0.489 68.439 68.868 0.100 0.000 0.866 483 T HN 0.474 nan 8.240 nan 0.000 0.434 484 A N 1.166 124.131 122.820 0.242 0.000 1.930 484 A HA -0.058 4.265 4.320 0.005 0.000 0.217 484 A C 2.132 179.799 177.584 0.138 0.000 1.175 484 A CA 1.020 53.180 52.037 0.205 0.000 0.627 484 A CB -1.002 18.222 19.000 0.373 0.000 0.815 484 A HN 0.748 nan 8.150 nan 0.000 0.443 485 W N 0.943 122.326 121.300 0.139 0.000 2.355 485 W HA -0.210 4.453 4.660 0.004 0.000 0.309 485 W C 2.224 178.757 176.519 0.025 0.000 1.206 485 W CA 2.054 59.427 57.345 0.047 0.000 1.284 485 W CB -0.429 29.147 29.460 0.193 0.000 1.145 485 W HN 0.416 nan 8.180 nan 0.000 0.502 486 A N 1.128 123.991 122.820 0.071 0.000 1.948 486 A HA -0.168 4.155 4.320 0.005 0.000 0.220 486 A C 2.155 179.676 177.584 -0.105 0.000 1.177 486 A CA 3.036 55.066 52.037 -0.012 0.000 0.636 486 A CB -1.285 17.777 19.000 0.105 0.000 0.815 486 A HN 0.389 nan 8.150 nan 0.000 0.449 487 A N -0.926 121.837 122.820 -0.095 0.000 1.898 487 A HA 0.377 4.700 4.320 0.005 0.000 0.214 487 A C 2.397 179.880 177.584 -0.167 0.000 1.183 487 A CA 1.650 53.628 52.037 -0.099 0.000 0.622 487 A CB -0.704 18.260 19.000 -0.059 0.000 0.824 487 A HN 1.005 nan 8.150 nan 0.000 0.444 488 A N -0.039 122.614 122.820 -0.279 0.000 1.984 488 A HA 0.108 4.431 4.320 0.005 0.000 0.214 488 A C 2.177 179.516 177.584 -0.408 0.000 1.173 488 A CA 1.528 53.364 52.037 -0.335 0.000 0.673 488 A CB -0.551 18.189 19.000 -0.435 0.000 0.830 488 A HN 0.885 nan 8.150 nan 0.000 0.453 489 S N -0.090 115.215 115.700 -0.659 0.000 2.631 489 S HA -0.037 4.436 4.470 0.005 0.000 0.217 489 S C 1.404 175.793 174.600 -0.351 0.000 0.958 489 S CA 0.990 58.708 58.200 -0.803 0.000 0.920 489 S CB -0.987 61.109 63.200 -1.841 0.000 0.776 489 S HN 0.633 nan 8.310 nan 0.000 0.517 490 T N -1.319 113.136 114.554 -0.165 0.000 3.118 490 T HA 0.169 4.523 4.350 0.005 0.000 0.260 490 T C 0.246 174.959 174.700 0.021 0.000 1.139 490 T CA -0.346 61.750 62.100 -0.007 0.000 1.085 490 T CB -0.772 68.154 68.868 0.097 0.000 0.934 490 T HN 0.408 nan 8.240 nan 0.000 0.518 491 F N 3.935 123.813 119.950 -0.121 0.000 2.459 491 F HA 0.410 4.939 4.527 0.004 0.000 0.346 491 F C 0.568 176.341 175.800 -0.045 0.000 1.128 491 F CA -1.153 56.806 58.000 -0.067 0.000 1.268 491 F CB 0.694 39.636 39.000 -0.097 0.000 1.161 491 F HN 0.150 nan 8.300 nan 0.000 0.583 492 R N 3.904 123.884 120.500 -0.868 0.000 2.533 492 R HA 0.447 4.790 4.340 0.005 0.000 0.288 492 R C 0.130 175.899 176.300 -0.884 0.000 1.039 492 R CA -0.487 55.292 56.100 -0.535 0.000 0.909 492 R CB 1.088 31.228 30.300 -0.267 0.000 1.195 492 R HN 0.776 nan 8.270 nan 0.000 0.438 493 G N 1.243 109.840 108.800 -0.339 0.000 2.534 493 G HA2 -0.244 3.719 3.960 0.005 0.000 0.217 493 G HA3 -0.244 3.719 3.960 0.005 0.000 0.217 493 G C 1.254 176.107 174.900 -0.078 0.000 1.128 493 G CA 0.709 45.776 45.100 -0.055 0.000 0.784 493 G HN 0.752 nan 8.290 nan 0.000 0.542 494 S N 1.718 117.354 115.700 -0.108 0.000 2.365 494 S HA -0.210 4.263 4.470 0.005 0.000 0.225 494 S C 1.644 176.221 174.600 -0.039 0.000 1.039 494 S CA 1.926 60.085 58.200 -0.068 0.000 1.033 494 S CB -0.245 62.910 63.200 -0.076 0.000 0.887 494 S HN 0.506 nan 8.310 nan 0.000 0.447 495 D N -0.340 120.023 120.400 -0.062 0.000 2.503 495 D HA 0.190 4.833 4.640 0.005 0.000 0.218 495 D C 0.092 176.333 176.300 -0.098 0.000 1.183 495 D CA -0.263 53.728 54.000 -0.015 0.000 0.827 495 D CB -0.560 40.342 40.800 0.169 0.000 1.034 495 D HN 0.483 nan 8.370 nan 0.000 0.510 496 K N 0.072 120.328 120.400 -0.239 0.000 3.088 496 K HA -0.230 4.093 4.320 0.005 0.000 0.273 496 K C -0.059 176.450 176.600 -0.152 0.000 1.111 496 K CA 0.584 56.728 56.287 -0.238 0.000 0.803 496 K CB -1.314 31.201 32.500 0.026 0.000 1.226 496 K HN 0.316 nan 8.250 nan 0.000 0.485 497 R N 0.230 120.588 120.500 -0.236 0.000 2.528 497 R HA 0.525 4.869 4.340 0.005 0.000 0.271 497 R C 0.984 177.236 176.300 -0.081 0.000 1.056 497 R CA 0.302 56.360 56.100 -0.070 0.000 1.117 497 R CB 1.178 31.474 30.300 -0.005 0.000 1.085 497 R HN 0.340 nan 8.270 nan 0.000 0.530 498 G N -0.274 108.564 108.800 0.063 0.000 2.725 498 G HA2 0.185 4.148 3.960 0.005 0.000 0.220 498 G HA3 0.185 4.148 3.960 0.005 0.000 0.220 498 G C -0.055 174.977 174.900 0.220 0.000 1.357 498 G CA -0.463 44.700 45.100 0.105 0.000 0.866 498 G HN 1.148 nan 8.290 nan 0.000 0.548 499 G N -2.859 106.028 108.800 0.146 0.000 2.541 499 G HA2 0.491 4.454 3.960 0.005 0.000 0.686 499 G HA3 0.491 4.454 3.960 0.005 0.000 0.686 499 G C 0.870 175.757 174.900 -0.023 0.000 1.286 499 G CA 0.928 46.067 45.100 0.064 0.000 0.894 499 G HN 2.441 nan 8.290 nan 0.000 0.575 500 A N -0.194 122.574 122.820 -0.086 0.000 2.123 500 A HA 0.291 4.614 4.320 0.005 0.000 0.214 500 A C 1.275 178.827 177.584 -0.053 0.000 1.152 500 A CA 1.458 53.447 52.037 -0.081 0.000 0.728 500 A CB -0.314 18.622 19.000 -0.108 0.000 0.814 500 A HN 1.147 nan 8.150 nan 0.000 0.464 501 N N 0.086 118.756 118.700 -0.050 0.000 2.412 501 N HA 0.284 5.027 4.740 0.005 0.000 0.254 501 N C 1.176 176.675 175.510 -0.018 0.000 1.232 501 N CA 1.597 54.627 53.050 -0.034 0.000 0.880 501 N CB 0.442 38.910 38.487 -0.033 0.000 1.076 501 N HN 0.603 nan 8.380 nan 0.000 0.458 502 G N 2.306 111.096 108.800 -0.017 0.000 2.213 502 G HA2 -0.157 3.806 3.960 0.005 0.000 0.236 502 G HA3 -0.157 3.806 3.960 0.005 0.000 0.236 502 G C 0.473 175.361 174.900 -0.021 0.000 0.991 502 G CA 0.464 45.554 45.100 -0.016 0.000 0.629 502 G HN 1.681 nan 8.290 nan 0.000 0.517 503 A N -0.694 122.111 122.820 -0.024 0.000 2.783 503 A HA -0.268 4.056 4.320 0.005 0.000 0.292 503 A C 1.583 179.138 177.584 -0.050 0.000 1.495 503 A CA 2.266 54.284 52.037 -0.031 0.000 0.787 503 A CB -1.723 17.266 19.000 -0.018 0.000 1.017 503 A HN 1.091 nan 8.150 nan 0.000 0.516 504 R N -0.730 119.733 120.500 -0.061 0.000 2.285 504 R HA 0.045 4.389 4.340 0.005 0.000 0.213 504 R C 1.909 178.120 176.300 -0.148 0.000 1.068 504 R CA 1.132 57.177 56.100 -0.092 0.000 1.004 504 R CB -0.278 29.972 30.300 -0.083 0.000 0.873 504 R HN 0.812 nan 8.270 nan 0.000 0.467 505 I N 2.145 122.637 120.570 -0.129 0.000 2.423 505 I HA -0.302 3.871 4.170 0.005 0.000 0.254 505 I C 2.422 178.460 176.117 -0.130 0.000 1.151 505 I CA 1.354 62.566 61.300 -0.147 0.000 1.421 505 I CB -0.008 37.939 38.000 -0.089 0.000 1.079 505 I HN 0.149 nan 8.210 nan 0.000 0.431 506 R N 0.450 120.894 120.500 -0.093 0.000 2.313 506 R HA 0.092 4.435 4.340 0.005 0.000 0.199 506 R C 0.304 176.553 176.300 -0.085 0.000 0.958 506 R CA 0.133 56.188 56.100 -0.074 0.000 1.047 506 R CB -0.198 30.075 30.300 -0.045 0.000 0.955 506 R HN 0.299 nan 8.270 nan 0.000 0.481 507 L N 0.483 121.637 121.223 -0.116 0.000 2.335 507 L HA 0.582 4.925 4.340 0.005 0.000 0.268 507 L C 0.192 176.970 176.870 -0.153 0.000 1.016 507 L CA -1.442 53.334 54.840 -0.107 0.000 0.805 507 L CB 1.199 43.204 42.059 -0.090 0.000 1.311 507 L HN -0.034 nan 8.230 nan 0.000 0.456 508 A N 1.160 123.911 122.820 -0.115 0.000 2.462 508 A HA 0.361 4.684 4.320 0.005 0.000 0.243 508 A C -1.827 175.665 177.584 -0.153 0.000 1.076 508 A CA -0.807 51.157 52.037 -0.123 0.000 0.773 508 A CB -0.180 18.789 19.000 -0.050 0.000 1.010 508 A HN 0.601 nan 8.150 nan 0.000 0.493 509 P HA 0.016 nan 4.420 nan 0.000 0.257 509 P C 0.769 177.592 177.300 -0.794 0.000 1.241 509 P CA 0.417 63.345 63.100 -0.288 0.000 0.816 509 P CB 0.365 32.041 31.700 -0.040 0.000 1.150 510 Q N 1.379 120.550 119.800 -1.048 0.000 2.181 510 Q HA -0.174 4.169 4.340 0.005 0.000 0.205 510 Q C 2.079 177.656 176.000 -0.705 0.000 0.980 510 Q CA 1.717 56.619 55.803 -1.501 0.000 0.862 510 Q CB -0.509 27.637 28.738 -0.987 0.000 0.905 510 Q HN 0.451 nan 8.270 nan 0.000 0.429 511 K N 0.246 120.407 120.400 -0.397 0.000 2.442 511 K HA -0.128 4.195 4.320 0.005 0.000 0.198 511 K C 0.489 177.023 176.600 -0.109 0.000 1.042 511 K CA 1.483 57.657 56.287 -0.189 0.000 0.958 511 K CB 0.270 32.694 32.500 -0.127 0.000 0.766 511 K HN 0.092 nan 8.250 nan 0.000 0.474 512 D N -0.389 119.933 120.400 -0.130 0.000 2.407 512 D HA 0.013 4.656 4.640 0.005 0.000 0.208 512 D C -0.257 176.152 176.300 0.181 0.000 1.083 512 D CA -0.078 53.933 54.000 0.020 0.000 0.844 512 D CB 0.118 40.938 40.800 0.033 0.000 0.967 512 D HN 0.156 nan 8.370 nan 0.000 0.506 513 W N 2.511 123.818 121.300 0.013 0.000 2.210 513 W HA 0.096 4.764 4.660 0.013 0.000 0.330 513 W C 1.831 178.346 176.519 -0.008 0.000 1.334 513 W CA -0.869 56.483 57.345 0.013 0.000 1.227 513 W CB 0.370 29.832 29.460 0.003 0.000 1.178 513 W HN 0.073 nan 8.180 nan 0.000 0.560 514 E N 2.379 122.714 120.200 0.224 0.000 2.118 514 E HA -0.203 4.150 4.350 0.005 0.000 0.195 514 E C 2.002 178.559 176.600 -0.072 0.000 0.992 514 E CA 1.831 58.297 56.400 0.111 0.000 0.804 514 E CB 0.121 29.925 29.700 0.174 0.000 0.741 514 E HN 0.477 nan 8.360 nan 0.000 0.458 515 A N 1.049 123.712 122.820 -0.262 0.000 2.019 515 A HA -0.156 4.167 4.320 0.005 0.000 0.219 515 A C 1.693 179.170 177.584 -0.179 0.000 1.164 515 A CA 1.385 53.029 52.037 -0.655 0.000 0.644 515 A CB -0.408 18.181 19.000 -0.685 0.000 0.805 515 A HN 0.259 nan 8.150 nan 0.000 0.449 516 N N 0.332 119.053 118.700 0.036 0.000 2.521 516 N HA 0.009 4.752 4.740 0.005 0.000 0.188 516 N C -0.502 175.040 175.510 0.054 0.000 1.146 516 N CA 0.503 53.603 53.050 0.083 0.000 0.893 516 N CB -0.269 38.292 38.487 0.125 0.000 0.975 516 N HN 0.604 nan 8.380 nan 0.000 0.451 517 Q N -1.212 118.607 119.800 0.031 0.000 2.453 517 Q HA -0.166 4.177 4.340 0.005 0.000 0.350 517 Q C -1.806 174.219 176.000 0.042 0.000 1.447 517 Q CA -0.151 55.675 55.803 0.038 0.000 0.968 517 Q CB -1.375 27.386 28.738 0.038 0.000 1.175 517 Q HN 0.289 nan 8.270 nan 0.000 0.354 518 P HA -0.258 nan 4.420 nan 0.000 0.218 518 P C 1.118 178.433 177.300 0.026 0.000 1.154 518 P CA 1.437 64.558 63.100 0.035 0.000 0.872 518 P CB 0.153 31.879 31.700 0.043 0.000 0.790 519 E N -0.407 119.811 120.200 0.030 0.000 2.047 519 E HA -0.211 4.142 4.350 0.005 0.000 0.191 519 E C 2.149 178.763 176.600 0.023 0.000 0.987 519 E CA 0.981 57.396 56.400 0.025 0.000 0.799 519 E CB -0.804 28.912 29.700 0.026 0.000 0.752 519 E HN 0.442 nan 8.360 nan 0.000 0.449 520 Q N 0.753 120.569 119.800 0.027 0.000 2.030 520 Q HA -0.191 4.152 4.340 0.005 0.000 0.204 520 Q C 2.399 178.415 176.000 0.026 0.000 0.986 520 Q CA 1.302 57.122 55.803 0.028 0.000 0.843 520 Q CB -0.169 28.589 28.738 0.033 0.000 0.904 520 Q HN 0.185 nan 8.270 nan 0.000 0.420 521 L N 0.949 122.189 121.223 0.028 0.000 1.990 521 L HA -0.191 4.152 4.340 0.005 0.000 0.213 521 L C 2.313 179.191 176.870 0.013 0.000 1.072 521 L CA 2.504 57.358 54.840 0.023 0.000 0.755 521 L CB -1.052 41.018 42.059 0.019 0.000 0.889 521 L HN 0.296 nan 8.230 nan 0.000 0.432 522 A N -0.428 122.398 122.820 0.010 0.000 1.892 522 A HA -0.215 4.108 4.320 0.005 0.000 0.218 522 A C 2.471 180.059 177.584 0.008 0.000 1.188 522 A CA 2.462 54.502 52.037 0.005 0.000 0.631 522 A CB -1.390 17.613 19.000 0.006 0.000 0.822 522 A HN 0.657 nan 8.150 nan 0.000 0.447 523 A N -0.854 121.973 122.820 0.012 0.000 1.902 523 A HA 0.020 4.343 4.320 0.005 0.000 0.217 523 A C 2.248 179.839 177.584 0.011 0.000 1.181 523 A CA 1.816 53.859 52.037 0.011 0.000 0.623 523 A CB -0.888 18.120 19.000 0.013 0.000 0.818 523 A HN 0.420 nan 8.150 nan 0.000 0.443 524 V N 0.100 120.023 119.914 0.015 0.000 2.307 524 V HA -0.226 3.897 4.120 0.005 0.000 0.245 524 V C 2.533 178.634 176.094 0.011 0.000 1.045 524 V CA 1.845 64.154 62.300 0.016 0.000 1.024 524 V CB -0.718 31.120 31.823 0.025 0.000 0.651 524 V HN 0.564 nan 8.190 nan 0.000 0.449 525 L N -0.193 121.035 121.223 0.008 0.000 2.141 525 L HA -0.182 4.161 4.340 0.005 0.000 0.209 525 L C 2.566 179.437 176.870 0.002 0.000 1.094 525 L CA 1.741 56.583 54.840 0.003 0.000 0.763 525 L CB -0.527 41.530 42.059 -0.004 0.000 0.908 525 L HN 0.445 nan 8.230 nan 0.000 0.437 526 E N -0.141 120.061 120.200 0.003 0.000 2.077 526 E HA -0.196 4.157 4.350 0.005 0.000 0.193 526 E C 1.942 178.545 176.600 0.005 0.000 0.989 526 E CA 1.724 58.126 56.400 0.004 0.000 0.800 526 E CB 0.156 29.858 29.700 0.005 0.000 0.746 526 E HN 0.368 nan 8.360 nan 0.000 0.452 527 T N 1.207 115.764 114.554 0.005 0.000 2.857 527 T HA -0.057 4.296 4.350 0.005 0.000 0.266 527 T C 1.852 176.554 174.700 0.003 0.000 1.048 527 T CA 0.722 62.825 62.100 0.005 0.000 1.139 527 T CB -0.069 68.802 68.868 0.005 0.000 0.874 527 T HN 0.142 nan 8.240 nan 0.000 0.455 528 L N 0.600 121.824 121.223 0.001 0.000 2.056 528 L HA -0.088 4.255 4.340 0.005 0.000 0.207 528 L C 2.689 179.559 176.870 -0.001 0.000 1.078 528 L CA 1.464 56.301 54.840 -0.005 0.000 0.749 528 L CB -0.530 41.525 42.059 -0.006 0.000 0.901 528 L HN 0.302 nan 8.230 nan 0.000 0.433 529 E N 0.138 120.339 120.200 0.003 0.000 2.085 529 E HA -0.227 4.126 4.350 0.005 0.000 0.194 529 E C 2.266 178.873 176.600 0.013 0.000 0.994 529 E CA 1.321 57.725 56.400 0.007 0.000 0.801 529 E CB -0.163 29.540 29.700 0.004 0.000 0.743 529 E HN 0.492 nan 8.360 nan 0.000 0.453 530 A N 0.856 123.683 122.820 0.012 0.000 1.898 530 A HA -0.156 4.167 4.320 0.005 0.000 0.216 530 A C 2.169 179.768 177.584 0.026 0.000 1.181 530 A CA 1.000 53.047 52.037 0.017 0.000 0.620 530 A CB -0.552 18.456 19.000 0.013 0.000 0.819 530 A HN 0.152 nan 8.150 nan 0.000 0.442 531 I N -0.879 119.704 120.570 0.022 0.000 2.163 531 I HA -0.291 3.882 4.170 0.005 0.000 0.243 531 I C 2.750 178.905 176.117 0.062 0.000 1.085 531 I CA 1.803 63.122 61.300 0.032 0.000 1.347 531 I CB -0.355 37.647 38.000 0.003 0.000 1.044 531 I HN 0.386 nan 8.210 nan 0.000 0.408 532 R N 0.537 121.062 120.500 0.042 0.000 2.073 532 R HA -0.166 4.177 4.340 0.005 0.000 0.234 532 R C 2.294 178.656 176.300 0.102 0.000 1.134 532 R CA 2.156 58.295 56.100 0.064 0.000 0.952 532 R CB -0.339 29.976 30.300 0.025 0.000 0.850 532 R HN 0.261 nan 8.270 nan 0.000 0.433 533 T N 0.640 115.230 114.554 0.061 0.000 2.746 533 T HA -0.114 4.239 4.350 0.005 0.000 0.267 533 T C 1.758 176.490 174.700 0.053 0.000 1.039 533 T CA 1.438 63.565 62.100 0.046 0.000 1.142 533 T CB -0.243 68.640 68.868 0.025 0.000 0.866 533 T HN 0.473 nan 8.240 nan 0.000 0.444 534 A N 0.785 123.645 122.820 0.066 0.000 1.898 534 A HA 0.018 4.341 4.320 0.005 0.000 0.216 534 A C 2.012 179.639 177.584 0.071 0.000 1.181 534 A CA 1.237 53.307 52.037 0.055 0.000 0.620 534 A CB -0.946 18.088 19.000 0.056 0.000 0.819 534 A HN 0.487 nan 8.150 nan 0.000 0.442 535 F N 1.491 121.430 119.950 -0.018 0.000 2.075 535 F HA -0.222 4.307 4.527 0.004 0.000 0.297 535 F C 2.025 177.810 175.800 -0.025 0.000 1.113 535 F CA 2.209 60.198 58.000 -0.019 0.000 1.218 535 F CB -0.270 38.719 39.000 -0.019 0.000 0.984 535 F HN 0.202 nan 8.300 nan 0.000 0.472 536 N N 0.474 119.241 118.700 0.112 0.000 2.223 536 N HA -0.111 4.632 4.740 0.005 0.000 0.185 536 N C 1.995 177.445 175.510 -0.101 0.000 1.016 536 N CA 1.350 54.400 53.050 -0.000 0.000 0.863 536 N CB -1.108 37.410 38.487 0.051 0.000 0.983 536 N HN 0.485 nan 8.380 nan 0.000 0.429 537 G N -0.308 108.449 108.800 -0.071 0.000 2.464 537 G HA2 0.002 3.965 3.960 0.005 0.000 0.217 537 G HA3 0.002 3.965 3.960 0.005 0.000 0.217 537 G C 1.313 176.149 174.900 -0.106 0.000 1.138 537 G CA 0.705 45.763 45.100 -0.070 0.000 0.793 537 G HN 0.406 nan 8.290 nan 0.000 0.539 538 A N -0.577 122.145 122.820 -0.164 0.000 2.251 538 A HA 0.303 4.626 4.320 0.005 0.000 0.209 538 A C 1.219 178.664 177.584 -0.231 0.000 1.187 538 A CA 0.191 52.121 52.037 -0.178 0.000 0.823 538 A CB 0.016 18.906 19.000 -0.183 0.000 0.846 538 A HN 0.272 nan 8.150 nan 0.000 0.486 539 Q N 0.664 120.301 119.800 -0.271 0.000 2.306 539 Q HA 0.362 4.705 4.340 0.005 0.000 0.241 539 Q C -0.236 175.678 176.000 -0.143 0.000 0.948 539 Q CA 0.086 55.734 55.803 -0.258 0.000 0.886 539 Q CB 0.742 29.314 28.738 -0.277 0.000 1.227 539 Q HN 0.252 nan 8.270 nan 0.000 0.457 540 R N -0.534 119.897 120.500 -0.114 0.000 2.664 540 R HA 0.531 4.874 4.340 0.005 0.000 0.286 540 R C 0.539 176.813 176.300 -0.044 0.000 0.967 540 R CA 0.021 56.081 56.100 -0.067 0.000 0.933 540 R CB 1.407 31.676 30.300 -0.053 0.000 1.146 540 R HN 0.890 nan 8.270 nan 0.000 0.468 541 G N 0.123 108.908 108.800 -0.026 0.000 2.136 541 G HA2 -0.242 3.721 3.960 0.005 0.000 0.242 541 G HA3 -0.242 3.721 3.960 0.005 0.000 0.242 541 G C 0.767 175.672 174.900 0.008 0.000 0.989 541 G CA 0.572 45.669 45.100 -0.006 0.000 0.682 541 G HN 1.187 nan 8.290 nan 0.000 0.522 542 G N -0.636 108.162 108.800 -0.004 0.000 2.199 542 G HA2 -0.273 3.690 3.960 0.005 0.000 0.254 542 G HA3 -0.273 3.690 3.960 0.005 0.000 0.254 542 G C 0.453 175.360 174.900 0.012 0.000 0.982 542 G CA 1.281 46.389 45.100 0.012 0.000 0.632 542 G HN 1.527 nan 8.290 nan 0.000 0.529 543 K N 1.298 121.707 120.400 0.016 0.000 2.484 543 K HA 0.344 4.667 4.320 0.005 0.000 0.280 543 K C 0.623 177.195 176.600 -0.047 0.000 1.013 543 K CA 0.884 57.198 56.287 0.045 0.000 1.029 543 K CB -0.002 32.538 32.500 0.068 0.000 0.902 543 K HN 0.706 nan 8.250 nan 0.000 0.481 544 Q N 1.161 120.875 119.800 -0.142 0.000 2.511 544 Q HA 0.495 4.838 4.340 0.005 0.000 0.289 544 Q C -1.657 174.343 176.000 -0.001 0.000 1.021 544 Q CA -1.192 54.546 55.803 -0.109 0.000 0.785 544 Q CB 1.813 30.382 28.738 -0.282 0.000 1.472 544 Q HN 0.302 nan 8.270 nan 0.000 0.411 545 V N 1.539 121.519 119.914 0.111 0.000 2.435 545 V HA 0.551 4.674 4.120 0.005 0.000 0.290 545 V C -0.336 175.788 176.094 0.050 0.000 1.030 545 V CA -0.153 62.189 62.300 0.071 0.000 0.881 545 V CB 1.837 33.617 31.823 -0.071 0.000 0.983 545 V HN 0.950 nan 8.190 nan 0.000 0.445 546 S N 5.794 121.544 115.700 0.085 0.000 2.585 546 S HA 0.167 4.640 4.470 0.005 0.000 0.273 546 S C 0.871 175.493 174.600 0.037 0.000 1.339 546 S CA -0.218 58.023 58.200 0.068 0.000 1.028 546 S CB 1.233 64.486 63.200 0.088 0.000 0.906 546 S HN 0.808 nan 8.310 nan 0.000 0.528 547 L N 2.325 123.562 121.223 0.024 0.000 2.131 547 L HA 0.076 4.419 4.340 0.005 0.000 0.210 547 L C 2.598 179.478 176.870 0.017 0.000 1.092 547 L CA 2.159 57.006 54.840 0.012 0.000 0.759 547 L CB -1.460 40.601 42.059 0.004 0.000 0.903 547 L HN 0.973 nan 8.230 nan 0.000 0.435 548 A N -0.768 122.066 122.820 0.022 0.000 1.883 548 A HA -0.251 4.072 4.320 0.005 0.000 0.217 548 A C 2.049 179.665 177.584 0.053 0.000 1.186 548 A CA 2.018 54.068 52.037 0.021 0.000 0.624 548 A CB -0.849 18.157 19.000 0.010 0.000 0.822 548 A HN 0.486 nan 8.150 nan 0.000 0.444 549 D N -0.544 119.909 120.400 0.088 0.000 2.104 549 D HA -0.141 4.502 4.640 0.005 0.000 0.194 549 D C 1.846 178.230 176.300 0.140 0.000 0.994 549 D CA 1.421 55.541 54.000 0.200 0.000 0.830 549 D CB -0.439 40.510 40.800 0.249 0.000 0.959 549 D HN 0.317 nan 8.370 nan 0.000 0.452 550 L N 0.835 122.074 121.223 0.026 0.000 2.083 550 L HA -0.077 4.266 4.340 0.005 0.000 0.209 550 L C 2.147 178.995 176.870 -0.038 0.000 1.083 550 L CA 1.111 55.913 54.840 -0.063 0.000 0.752 550 L CB -0.454 41.561 42.059 -0.073 0.000 0.899 550 L HN 0.011 nan 8.230 nan 0.000 0.433 551 I N -1.797 118.777 120.570 0.007 0.000 2.163 551 I HA -0.320 3.853 4.170 0.005 0.000 0.243 551 I C 2.291 178.443 176.117 0.058 0.000 1.085 551 I CA 1.380 62.696 61.300 0.026 0.000 1.347 551 I CB -0.340 37.675 38.000 0.024 0.000 1.044 551 I HN 0.063 nan 8.210 nan 0.000 0.408 552 V N 0.321 120.288 119.914 0.087 0.000 2.379 552 V HA -0.244 3.879 4.120 0.005 0.000 0.245 552 V C 2.301 178.473 176.094 0.130 0.000 1.044 552 V CA 1.469 63.860 62.300 0.151 0.000 1.036 552 V CB -0.458 31.496 31.823 0.219 0.000 0.664 552 V HN 0.347 nan 8.190 nan 0.000 0.453 553 L N 0.999 122.165 121.223 -0.094 0.000 2.046 553 L HA -0.088 4.255 4.340 0.005 0.000 0.208 553 L C 2.433 179.181 176.870 -0.203 0.000 1.077 553 L CA 2.396 56.929 54.840 -0.511 0.000 0.747 553 L CB -0.949 40.584 42.059 -0.878 0.000 0.896 553 L HN 0.229 nan 8.230 nan 0.000 0.432 554 A N -0.675 122.085 122.820 -0.101 0.000 1.933 554 A HA -0.054 4.269 4.320 0.005 0.000 0.218 554 A C 2.334 179.939 177.584 0.035 0.000 1.175 554 A CA 1.465 53.477 52.037 -0.042 0.000 0.628 554 A CB -1.509 17.479 19.000 -0.020 0.000 0.814 554 A HN 0.529 nan 8.150 nan 0.000 0.444 555 G N -0.791 108.093 108.800 0.140 0.000 2.418 555 G HA2 -0.255 3.708 3.960 0.005 0.000 0.217 555 G HA3 -0.255 3.708 3.960 0.005 0.000 0.217 555 G C 1.589 176.630 174.900 0.233 0.000 1.158 555 G CA 1.297 46.572 45.100 0.292 0.000 0.771 555 G HN 0.520 nan 8.290 nan 0.000 0.545 556 C N 1.055 120.523 119.300 0.280 0.000 2.413 556 C HA 0.090 4.553 4.460 0.005 0.000 0.276 556 C C 3.550 178.543 174.990 0.006 0.000 1.236 556 C CA 0.886 60.016 59.018 0.187 0.000 1.735 556 C CB -1.070 26.788 27.740 0.197 0.000 2.031 556 C HN 0.577 nan 8.230 nan 0.000 0.474 557 A N 0.835 123.639 122.820 -0.027 0.000 1.948 557 A HA -0.026 4.297 4.320 0.005 0.000 0.220 557 A C 2.382 179.931 177.584 -0.058 0.000 1.177 557 A CA 2.253 54.260 52.037 -0.051 0.000 0.636 557 A CB -1.229 17.734 19.000 -0.063 0.000 0.815 557 A HN 0.590 nan 8.150 nan 0.000 0.449 558 G N -0.766 107.998 108.800 -0.060 0.000 2.418 558 G HA2 -0.097 3.867 3.960 0.005 0.000 0.217 558 G HA3 -0.097 3.867 3.960 0.005 0.000 0.217 558 G C 1.492 176.297 174.900 -0.158 0.000 1.158 558 G CA 1.220 46.266 45.100 -0.091 0.000 0.771 558 G HN 0.342 nan 8.290 nan 0.000 0.545 559 V N 0.649 120.417 119.914 -0.242 0.000 2.427 559 V HA -0.133 3.990 4.120 0.005 0.000 0.248 559 V C 2.634 178.630 176.094 -0.164 0.000 1.051 559 V CA 2.022 64.141 62.300 -0.301 0.000 1.048 559 V CB -0.450 31.078 31.823 -0.491 0.000 0.666 559 V HN 0.452 nan 8.190 nan 0.000 0.456 560 E N -0.143 119.995 120.200 -0.103 0.000 2.085 560 E HA -0.321 4.032 4.350 0.005 0.000 0.194 560 E C 2.260 178.832 176.600 -0.047 0.000 0.994 560 E CA 1.608 57.976 56.400 -0.053 0.000 0.801 560 E CB -0.123 29.558 29.700 -0.031 0.000 0.743 560 E HN 0.533 nan 8.360 nan 0.000 0.453 561 Q N 0.718 120.484 119.800 -0.058 0.000 2.079 561 Q HA -0.089 4.254 4.340 0.005 0.000 0.200 561 Q C 1.904 177.873 176.000 -0.052 0.000 0.974 561 Q CA 1.731 57.507 55.803 -0.045 0.000 0.840 561 Q CB -0.272 28.439 28.738 -0.045 0.000 0.898 561 Q HN 0.231 nan 8.270 nan 0.000 0.430 562 A N 0.234 123.002 122.820 -0.086 0.000 1.933 562 A HA -0.020 4.303 4.320 0.005 0.000 0.218 562 A C 2.266 179.807 177.584 -0.071 0.000 1.175 562 A CA 1.757 53.735 52.037 -0.097 0.000 0.628 562 A CB -1.075 17.827 19.000 -0.163 0.000 0.814 562 A HN 0.518 nan 8.150 nan 0.000 0.444 563 A N -0.249 122.531 122.820 -0.067 0.000 1.898 563 A HA -0.128 4.195 4.320 0.005 0.000 0.216 563 A C 2.128 179.744 177.584 0.053 0.000 1.181 563 A CA 1.859 53.884 52.037 -0.020 0.000 0.620 563 A CB -0.453 18.536 19.000 -0.018 0.000 0.819 563 A HN 0.531 nan 8.150 nan 0.000 0.442 564 K N -0.211 120.204 120.400 0.026 0.000 2.009 564 K HA -0.237 4.086 4.320 0.005 0.000 0.210 564 K C 1.674 178.291 176.600 0.029 0.000 1.049 564 K CA 1.755 58.060 56.287 0.031 0.000 0.929 564 K CB -0.284 32.222 32.500 0.010 0.000 0.714 564 K HN 0.406 nan 8.250 nan 0.000 0.440 565 N N 0.583 119.290 118.700 0.011 0.000 2.184 565 N HA -0.189 4.554 4.740 0.005 0.000 0.190 565 N C 1.201 176.729 175.510 0.031 0.000 1.011 565 N CA 1.495 54.551 53.050 0.010 0.000 0.867 565 N CB -0.315 38.166 38.487 -0.009 0.000 0.993 565 N HN 0.316 nan 8.380 nan 0.000 0.433 566 A N -0.521 122.335 122.820 0.060 0.000 2.337 566 A HA 0.474 4.797 4.320 0.005 0.000 0.227 566 A C 1.432 179.116 177.584 0.167 0.000 1.259 566 A CA 0.529 52.638 52.037 0.119 0.000 0.870 566 A CB -0.468 18.612 19.000 0.134 0.000 0.927 566 A HN 0.301 nan 8.150 nan 0.000 0.497 567 G N -0.707 108.145 108.800 0.088 0.000 2.155 567 G HA2 -0.245 3.718 3.960 0.005 0.000 0.257 567 G HA3 -0.245 3.718 3.960 0.005 0.000 0.257 567 G C 0.044 174.921 174.900 -0.039 0.000 0.983 567 G CA 0.494 45.602 45.100 0.014 0.000 0.676 567 G HN 0.734 nan 8.290 nan 0.000 0.528 568 H N -0.127 118.951 119.070 0.014 0.000 2.463 568 H HA 0.591 5.150 4.556 0.005 0.000 0.332 568 H C 0.272 175.606 175.328 0.010 0.000 1.127 568 H CA 0.101 56.161 56.048 0.019 0.000 1.238 568 H CB 1.887 31.666 29.762 0.028 0.000 1.478 568 H HN 0.426 nan 8.280 nan 0.000 0.499 569 A N 3.956 126.845 122.820 0.115 0.000 2.341 569 A HA 0.462 4.785 4.320 0.005 0.000 0.326 569 A C -0.466 177.162 177.584 0.073 0.000 1.402 569 A CA -0.508 51.570 52.037 0.068 0.000 0.957 569 A CB -0.050 18.972 19.000 0.037 0.000 1.151 569 A HN 0.378 nan 8.150 nan 0.000 0.533 570 V N 2.904 122.854 119.914 0.059 0.000 2.531 570 V HA 0.466 4.589 4.120 0.005 0.000 0.301 570 V C 0.054 176.168 176.094 0.034 0.000 1.034 570 V CA -0.535 61.794 62.300 0.048 0.000 0.865 570 V CB 2.110 33.956 31.823 0.038 0.000 0.995 570 V HN 0.882 nan 8.190 nan 0.000 0.424 571 T N 2.997 117.574 114.554 0.038 0.000 2.799 571 T HA 0.630 4.983 4.350 0.005 0.000 0.286 571 T C -0.236 174.495 174.700 0.052 0.000 0.973 571 T CA -0.567 61.557 62.100 0.039 0.000 1.035 571 T CB 1.658 70.551 68.868 0.043 0.000 0.932 571 T HN 0.310 nan 8.240 nan 0.000 0.469 572 V N 5.162 125.114 119.914 0.064 0.000 2.439 572 V HA 0.336 4.459 4.120 0.005 0.000 0.282 572 V C -1.968 174.207 176.094 0.134 0.000 1.039 572 V CA -1.937 60.424 62.300 0.102 0.000 0.913 572 V CB 0.894 32.789 31.823 0.120 0.000 0.983 572 V HN 0.769 nan 8.190 nan 0.000 0.460 573 P HA 0.247 nan 4.420 nan 0.000 0.269 573 P C -1.088 176.340 177.300 0.212 0.000 1.215 573 P CA 0.031 63.204 63.100 0.122 0.000 0.780 573 P CB 0.261 31.996 31.700 0.058 0.000 0.898 574 F N 1.231 121.186 119.950 0.008 0.000 2.588 574 F HA 0.612 5.142 4.527 0.004 0.000 0.318 574 F C -1.524 174.261 175.800 -0.026 0.000 1.155 574 F CA -0.887 57.110 58.000 -0.004 0.000 0.967 574 F CB 1.293 40.297 39.000 0.006 0.000 1.236 574 F HN 0.369 nan 8.300 nan 0.000 0.455 575 A N 8.183 130.469 122.820 -0.890 0.000 2.273 575 A HA 0.768 5.091 4.320 0.005 0.000 0.315 575 A C -2.765 174.171 177.584 -1.081 0.000 1.256 575 A CA -1.611 49.987 52.037 -0.731 0.000 0.851 575 A CB 0.363 19.112 19.000 -0.418 0.000 1.172 575 A HN 0.492 nan 8.150 nan 0.000 0.508 576 P HA 0.485 nan 4.420 nan 0.000 0.277 576 P C 0.761 177.931 177.300 -0.217 0.000 1.276 576 P CA 0.931 63.796 63.100 -0.392 0.000 0.788 576 P CB 0.887 32.576 31.700 -0.018 0.000 1.114 577 G N -1.397 107.348 108.800 -0.092 0.000 2.205 577 G HA2 -0.148 3.815 3.960 0.005 0.000 0.180 577 G HA3 -0.148 3.815 3.960 0.005 0.000 0.180 577 G C 0.210 175.069 174.900 -0.069 0.000 1.004 577 G CA -0.491 44.559 45.100 -0.082 0.000 0.670 577 G HN 0.531 nan 8.290 nan 0.000 0.496 578 R N 0.677 121.143 120.500 -0.056 0.000 2.694 578 R HA 0.610 4.953 4.340 0.005 0.000 0.268 578 R C 0.570 176.872 176.300 0.004 0.000 1.061 578 R CA 0.704 56.783 56.100 -0.034 0.000 1.133 578 R CB 0.782 31.068 30.300 -0.025 0.000 1.020 578 R HN 0.539 nan 8.270 nan 0.000 0.475 579 A N 1.407 124.227 122.820 -0.000 0.000 2.346 579 A HA 0.394 4.717 4.320 0.005 0.000 0.313 579 A C -1.198 176.395 177.584 0.015 0.000 1.140 579 A CA -0.894 51.156 52.037 0.022 0.000 0.826 579 A CB 1.195 20.199 19.000 0.005 0.000 1.332 579 A HN 0.601 nan 8.150 nan 0.000 0.457 580 D N 1.350 121.763 120.400 0.023 0.000 2.329 580 D HA 0.514 5.157 4.640 0.005 0.000 0.232 580 D C 0.196 176.497 176.300 0.001 0.000 1.088 580 D CA 0.343 54.349 54.000 0.009 0.000 0.835 580 D CB 1.563 42.371 40.800 0.015 0.000 1.078 580 D HN 0.704 nan 8.370 nan 0.000 0.495 581 A N 2.121 124.935 122.820 -0.009 0.000 2.351 581 A HA 0.474 4.797 4.320 0.005 0.000 0.257 581 A C 0.755 178.331 177.584 -0.013 0.000 1.087 581 A CA -0.482 51.547 52.037 -0.013 0.000 0.798 581 A CB 0.391 19.380 19.000 -0.019 0.000 1.033 581 A HN 0.517 nan 8.150 nan 0.000 0.488 582 S N 0.597 116.291 115.700 -0.011 0.000 2.652 582 S HA 0.247 4.720 4.470 0.005 0.000 0.270 582 S C 0.910 175.503 174.600 -0.013 0.000 1.243 582 S CA 0.125 58.319 58.200 -0.010 0.000 0.999 582 S CB 1.087 64.283 63.200 -0.005 0.000 0.973 582 S HN 0.749 nan 8.310 nan 0.000 0.544 583 Q N 0.854 120.646 119.800 -0.013 0.000 2.112 583 Q HA -0.184 4.159 4.340 0.005 0.000 0.206 583 Q C 1.585 177.583 176.000 -0.003 0.000 0.987 583 Q CA 2.382 58.177 55.803 -0.013 0.000 0.858 583 Q CB -0.622 28.109 28.738 -0.012 0.000 0.905 583 Q HN 0.894 nan 8.270 nan 0.000 0.420 584 E N -0.162 120.039 120.200 0.001 0.000 2.268 584 E HA -0.143 4.210 4.350 0.005 0.000 0.195 584 E C 1.312 177.916 176.600 0.007 0.000 0.995 584 E CA 0.972 57.377 56.400 0.008 0.000 0.836 584 E CB 0.000 29.705 29.700 0.009 0.000 0.763 584 E HN 0.504 nan 8.360 nan 0.000 0.491 585 Q N -0.192 119.608 119.800 -0.001 0.000 2.322 585 Q HA 0.103 4.446 4.340 0.005 0.000 0.203 585 Q C -0.434 175.566 176.000 -0.001 0.000 0.923 585 Q CA 0.414 56.213 55.803 -0.006 0.000 0.949 585 Q CB 0.626 29.355 28.738 -0.016 0.000 1.039 585 Q HN -0.010 nan 8.270 nan 0.000 0.496 586 T N 0.785 115.343 114.554 0.007 0.000 3.009 586 T HA 0.053 4.406 4.350 0.005 0.000 0.346 586 T C -1.055 173.662 174.700 0.029 0.000 1.092 586 T CA -0.783 61.324 62.100 0.011 0.000 1.080 586 T CB 0.948 69.809 68.868 -0.012 0.000 1.037 586 T HN 0.021 nan 8.240 nan 0.000 0.487 587 D N 3.120 123.552 120.400 0.054 0.000 2.363 587 D HA 0.043 4.686 4.640 0.005 0.000 0.263 587 D C 1.256 177.601 176.300 0.076 0.000 1.258 587 D CA -0.140 53.904 54.000 0.074 0.000 0.907 587 D CB 1.077 41.941 40.800 0.107 0.000 1.107 587 D HN 0.184 nan 8.370 nan 0.000 0.495 588 V N 4.735 124.688 119.914 0.065 0.000 2.490 588 V HA -0.190 3.933 4.120 0.005 0.000 0.250 588 V C 2.207 178.364 176.094 0.104 0.000 1.061 588 V CA 1.421 63.762 62.300 0.068 0.000 1.064 588 V CB -0.260 31.594 31.823 0.052 0.000 0.670 588 V HN 0.563 nan 8.190 nan 0.000 0.461 589 E N -0.230 120.032 120.200 0.103 0.000 2.046 589 E HA -0.157 4.196 4.350 0.005 0.000 0.190 589 E C 2.447 179.122 176.600 0.125 0.000 0.982 589 E CA 1.497 57.964 56.400 0.111 0.000 0.800 589 E CB -0.599 29.160 29.700 0.099 0.000 0.756 589 E HN 0.536 nan 8.360 nan 0.000 0.449 590 S N 0.524 116.301 115.700 0.129 0.000 2.423 590 S HA -0.138 4.336 4.470 0.005 0.000 0.231 590 S C 1.857 176.549 174.600 0.153 0.000 1.014 590 S CA 0.929 59.214 58.200 0.141 0.000 0.965 590 S CB -0.065 63.230 63.200 0.157 0.000 0.785 590 S HN 0.057 nan 8.310 nan 0.000 0.495 591 M N 1.572 121.270 119.600 0.163 0.000 2.394 591 M HA 0.278 4.761 4.480 0.005 0.000 0.264 591 M C 1.785 178.290 176.300 0.342 0.000 1.073 591 M CA 1.009 56.440 55.300 0.217 0.000 1.111 591 M CB -0.799 31.893 32.600 0.152 0.000 1.401 591 M HN 0.348 nan 8.290 nan 0.000 0.448 592 A N -0.648 122.332 122.820 0.267 0.000 1.969 592 A HA -0.051 4.272 4.320 0.005 0.000 0.218 592 A C 1.998 179.647 177.584 0.108 0.000 1.169 592 A CA 1.568 53.762 52.037 0.262 0.000 0.635 592 A CB -1.333 17.777 19.000 0.184 0.000 0.810 592 A HN 0.539 nan 8.150 nan 0.000 0.445 593 V N -2.257 117.707 119.914 0.083 0.000 2.913 593 V HA -0.049 4.074 4.120 0.005 0.000 0.260 593 V C 1.801 177.878 176.094 -0.030 0.000 1.098 593 V CA 1.456 63.758 62.300 0.003 0.000 1.121 593 V CB -0.901 30.924 31.823 0.003 0.000 0.714 593 V HN 0.459 nan 8.190 nan 0.000 0.487 594 L N 0.317 121.571 121.223 0.051 0.000 2.599 594 L HA 0.224 4.567 4.340 0.005 0.000 0.230 594 L C 1.317 178.028 176.870 -0.264 0.000 1.141 594 L CA 0.261 55.122 54.840 0.035 0.000 0.877 594 L CB -0.333 41.865 42.059 0.232 0.000 1.009 594 L HN 0.459 nan 8.230 nan 0.000 0.447 595 E N 3.465 123.241 120.200 -0.706 0.000 2.493 595 E HA 0.012 4.365 4.350 0.005 0.000 0.255 595 E C -2.044 174.159 176.600 -0.661 0.000 0.999 595 E CA -1.519 53.983 56.400 -1.497 0.000 0.934 595 E CB 0.673 29.519 29.700 -1.424 0.000 0.940 595 E HN -0.010 nan 8.360 nan 0.000 0.473 596 P HA -0.009 nan 4.420 nan 0.000 0.279 596 P C 0.559 177.872 177.300 0.022 0.000 1.318 596 P CA -0.094 62.931 63.100 -0.125 0.000 0.819 596 P CB 1.050 32.762 31.700 0.019 0.000 0.927 597 V N 1.001 120.911 119.914 -0.006 0.000 3.235 597 V HA 0.388 4.511 4.120 0.005 0.000 0.259 597 V C 0.764 176.928 176.094 0.116 0.000 1.133 597 V CA 0.681 63.037 62.300 0.094 0.000 1.128 597 V CB -0.744 31.076 31.823 -0.006 0.000 0.757 597 V HN 0.481 nan 8.190 nan 0.000 0.469 598 A N 0.524 123.403 122.820 0.099 0.000 2.353 598 A HA 0.719 5.042 4.320 0.005 0.000 0.299 598 A C -1.382 176.328 177.584 0.210 0.000 1.089 598 A CA -0.226 51.879 52.037 0.113 0.000 0.736 598 A CB 1.493 20.509 19.000 0.027 0.000 1.195 598 A HN 0.260 nan 8.150 nan 0.000 0.447 599 D N 2.330 122.919 120.400 0.315 0.000 2.346 599 D HA 0.387 5.030 4.640 0.005 0.000 0.255 599 D C 1.237 177.694 176.300 0.262 0.000 1.276 599 D CA 0.382 54.597 54.000 0.359 0.000 0.941 599 D CB 1.020 42.107 40.800 0.478 0.000 1.199 599 D HN 0.510 nan 8.370 nan 0.000 0.537 600 G N 1.529 110.372 108.800 0.072 0.000 2.450 600 G HA2 -0.267 3.696 3.960 0.005 0.000 0.220 600 G HA3 -0.267 3.696 3.960 0.005 0.000 0.220 600 G C 1.244 176.023 174.900 -0.203 0.000 1.130 600 G CA 0.498 45.526 45.100 -0.121 0.000 0.760 600 G HN 0.503 nan 8.290 nan 0.000 0.557 601 F N 0.203 120.203 119.950 0.083 0.000 2.365 601 F HA 0.119 4.649 4.527 0.004 0.000 0.300 601 F C 2.531 178.213 175.800 -0.196 0.000 1.090 601 F CA 0.771 58.695 58.000 -0.126 0.000 1.408 601 F CB 0.173 39.039 39.000 -0.224 0.000 1.060 601 F HN 0.004 nan 8.300 nan 0.000 0.534 602 R N -0.185 120.412 120.500 0.163 0.000 2.613 602 R HA 0.111 4.455 4.340 0.005 0.000 0.361 602 R C 0.002 176.389 176.300 0.146 0.000 1.072 602 R CA -0.221 55.948 56.100 0.115 0.000 1.089 602 R CB -0.136 30.291 30.300 0.212 0.000 1.343 602 R HN -0.048 nan 8.270 nan 0.000 0.571 603 N N 1.142 119.905 118.700 0.106 0.000 2.716 603 N HA -0.277 4.466 4.740 0.005 0.000 0.250 603 N C -1.551 174.085 175.510 0.211 0.000 1.033 603 N CA 0.955 54.077 53.050 0.119 0.000 0.727 603 N CB -0.916 37.629 38.487 0.097 0.000 0.950 603 N HN 0.373 nan 8.380 nan 0.000 0.541 604 Y N 0.068 120.422 120.300 0.090 0.000 2.341 604 Y HA 0.651 5.205 4.550 0.007 0.000 0.338 604 Y C -0.742 175.220 175.900 0.103 0.000 0.965 604 Y CA -0.894 57.268 58.100 0.103 0.000 1.108 604 Y CB 0.948 39.484 38.460 0.127 0.000 1.180 604 Y HN 0.099 nan 8.280 nan 0.000 0.458 605 L N 7.275 128.144 121.223 -0.591 0.000 2.409 605 L HA 0.435 4.778 4.340 0.005 0.000 0.272 605 L C 0.828 177.229 176.870 -0.782 0.000 0.980 605 L CA -0.691 53.820 54.840 -0.549 0.000 0.826 605 L CB 2.147 44.075 42.059 -0.218 0.000 1.268 605 L HN 0.669 nan 8.230 nan 0.000 0.407 606 K N 1.653 121.673 120.400 -0.632 0.000 2.148 606 K HA 0.078 4.401 4.320 0.005 0.000 0.204 606 K C 0.701 177.175 176.600 -0.211 0.000 1.050 606 K CA 1.211 57.313 56.287 -0.307 0.000 0.942 606 K CB 0.297 32.818 32.500 0.035 0.000 0.724 606 K HN 0.861 nan 8.250 nan 0.000 0.446 607 G N -0.419 108.140 108.800 -0.402 0.000 2.911 607 G HA2 0.380 4.343 3.960 0.005 0.000 0.299 607 G HA3 0.380 4.343 3.960 0.005 0.000 0.299 607 G C -1.655 172.718 174.900 -0.879 0.000 1.283 607 G CA -0.900 43.877 45.100 -0.539 0.000 0.805 607 G HN -0.003 nan 8.290 nan 0.000 0.548 608 K N 0.111 120.102 120.400 -0.682 0.000 2.183 608 K HA 0.605 4.928 4.320 0.005 0.000 0.274 608 K C -1.443 174.788 176.600 -0.616 0.000 1.009 608 K CA -0.171 55.785 56.287 -0.552 0.000 0.888 608 K CB 1.295 33.642 32.500 -0.254 0.000 1.078 608 K HN 0.492 nan 8.250 nan 0.000 0.459 609 Y N 0.592 120.857 120.300 -0.058 0.000 2.587 609 Y HA 0.299 4.852 4.550 0.004 0.000 0.337 609 Y C 1.479 177.346 175.900 -0.054 0.000 1.065 609 Y CA -1.242 56.822 58.100 -0.060 0.000 1.126 609 Y CB 1.646 40.061 38.460 -0.075 0.000 1.279 609 Y HN 0.460 nan 8.280 nan 0.000 0.489 610 R N -0.413 120.161 120.500 0.124 0.000 2.153 610 R HA 0.083 4.426 4.340 0.005 0.000 0.218 610 R C -0.285 176.027 176.300 0.020 0.000 1.072 610 R CA 0.472 56.598 56.100 0.043 0.000 0.990 610 R CB -0.588 29.723 30.300 0.019 0.000 0.889 610 R HN 0.262 nan 8.270 nan 0.000 0.452 611 V N 4.598 124.522 119.914 0.016 0.000 2.455 611 V HA 0.160 4.283 4.120 0.005 0.000 0.273 611 V C -1.986 174.114 176.094 0.011 0.000 1.045 611 V CA -1.858 60.423 62.300 -0.032 0.000 0.976 611 V CB 0.936 32.692 31.823 -0.112 0.000 0.993 611 V HN 0.142 nan 8.190 nan 0.000 0.475 612 P HA 0.125 nan 4.420 nan 0.000 0.268 612 P C 0.621 177.922 177.300 0.002 0.000 1.208 612 P CA -0.082 63.023 63.100 0.009 0.000 0.777 612 P CB 0.741 32.443 31.700 0.004 0.000 0.875 613 A N 2.807 125.635 122.820 0.013 0.000 1.972 613 A HA -0.185 4.138 4.320 0.005 0.000 0.219 613 A C 1.815 179.379 177.584 -0.034 0.000 1.169 613 A CA 1.425 53.466 52.037 0.007 0.000 0.635 613 A CB -0.920 18.090 19.000 0.016 0.000 0.810 613 A HN 0.695 nan 8.150 nan 0.000 0.446 614 E N 0.317 120.485 120.200 -0.055 0.000 2.208 614 E HA -0.079 4.274 4.350 0.005 0.000 0.193 614 E C 1.728 178.262 176.600 -0.111 0.000 0.988 614 E CA 1.372 57.706 56.400 -0.110 0.000 0.828 614 E CB -0.790 28.824 29.700 -0.144 0.000 0.763 614 E HN 0.336 nan 8.360 nan 0.000 0.478 615 V N 1.879 121.745 119.914 -0.080 0.000 2.427 615 V HA -0.213 3.910 4.120 0.005 0.000 0.248 615 V C 2.600 178.645 176.094 -0.082 0.000 1.051 615 V CA 1.333 63.584 62.300 -0.082 0.000 1.048 615 V CB -0.536 31.242 31.823 -0.075 0.000 0.666 615 V HN 0.211 nan 8.190 nan 0.000 0.456 616 L N -0.763 120.418 121.223 -0.070 0.000 2.156 616 L HA -0.116 4.227 4.340 0.005 0.000 0.208 616 L C 2.417 179.261 176.870 -0.044 0.000 1.095 616 L CA 0.943 55.744 54.840 -0.064 0.000 0.770 616 L CB -0.525 41.507 42.059 -0.045 0.000 0.914 616 L HN 0.353 nan 8.230 nan 0.000 0.439 617 L N -0.299 120.885 121.223 -0.066 0.000 1.994 617 L HA -0.151 4.192 4.340 0.005 0.000 0.208 617 L C 2.373 179.214 176.870 -0.048 0.000 1.071 617 L CA 1.736 56.516 54.840 -0.101 0.000 0.745 617 L CB -0.446 41.511 42.059 -0.171 0.000 0.892 617 L HN -0.105 nan 8.230 nan 0.000 0.431 618 V N 0.206 120.081 119.914 -0.064 0.000 2.343 618 V HA -0.315 3.808 4.120 0.005 0.000 0.247 618 V C 2.376 178.468 176.094 -0.005 0.000 1.051 618 V CA 1.948 64.226 62.300 -0.037 0.000 1.036 618 V CB -0.870 30.898 31.823 -0.092 0.000 0.654 618 V HN 0.636 nan 8.190 nan 0.000 0.451 619 D N 0.307 120.691 120.400 -0.027 0.000 2.133 619 D HA -0.284 4.359 4.640 0.005 0.000 0.192 619 D C 2.101 178.417 176.300 0.026 0.000 1.001 619 D CA 1.918 55.904 54.000 -0.024 0.000 0.844 619 D CB -0.143 40.621 40.800 -0.061 0.000 0.944 619 D HN 0.277 nan 8.370 nan 0.000 0.447 620 K N 0.243 120.688 120.400 0.074 0.000 2.057 620 K HA 0.026 4.349 4.320 0.005 0.000 0.207 620 K C 1.851 178.599 176.600 0.248 0.000 1.049 620 K CA 1.577 57.966 56.287 0.169 0.000 0.931 620 K CB -0.793 31.864 32.500 0.262 0.000 0.714 620 K HN 0.168 nan 8.250 nan 0.000 0.440 621 A N 0.638 123.630 122.820 0.287 0.000 1.933 621 A HA -0.209 4.114 4.320 0.005 0.000 0.218 621 A C 2.231 179.911 177.584 0.160 0.000 1.175 621 A CA 1.759 53.985 52.037 0.315 0.000 0.628 621 A CB -0.651 18.537 19.000 0.313 0.000 0.814 621 A HN 0.581 nan 8.150 nan 0.000 0.444 622 Q N -0.298 119.559 119.800 0.095 0.000 2.050 622 Q HA -0.148 4.195 4.340 0.005 0.000 0.202 622 Q C 2.038 178.075 176.000 0.062 0.000 0.980 622 Q CA 1.576 57.412 55.803 0.056 0.000 0.840 622 Q CB -0.235 28.513 28.738 0.016 0.000 0.898 622 Q HN 0.690 nan 8.270 nan 0.000 0.424 623 L N 0.447 121.702 121.223 0.053 0.000 2.083 623 L HA -0.196 4.147 4.340 0.005 0.000 0.209 623 L C 2.290 179.215 176.870 0.091 0.000 1.083 623 L CA 0.819 55.678 54.840 0.030 0.000 0.752 623 L CB -0.324 41.736 42.059 0.001 0.000 0.899 623 L HN 0.317 nan 8.230 nan 0.000 0.433 624 L N -0.097 121.198 121.223 0.120 0.000 2.622 624 L HA -0.068 4.275 4.340 0.005 0.000 0.233 624 L C 1.218 178.164 176.870 0.127 0.000 1.156 624 L CA 0.858 55.779 54.840 0.135 0.000 0.866 624 L CB -0.758 41.338 42.059 0.061 0.000 0.980 624 L HN 0.589 nan 8.230 nan 0.000 0.448 625 T N -3.753 110.876 114.554 0.126 0.000 4.595 625 T HA -0.225 4.128 4.350 0.005 0.000 0.311 625 T C -0.006 174.747 174.700 0.088 0.000 1.052 625 T CA 0.422 62.588 62.100 0.110 0.000 2.205 625 T CB -2.651 66.289 68.868 0.120 0.000 1.872 625 T HN 0.188 nan 8.240 nan 0.000 0.961 626 L N 2.099 123.379 121.223 0.096 0.000 2.312 626 L HA 0.639 4.982 4.340 0.005 0.000 0.281 626 L C 1.353 178.298 176.870 0.125 0.000 1.070 626 L CA -0.459 54.444 54.840 0.105 0.000 0.805 626 L CB 1.436 43.574 42.059 0.132 0.000 1.174 626 L HN 0.568 nan 8.230 nan 0.000 0.434 627 S N 1.741 117.538 115.700 0.161 0.000 2.624 627 S HA 0.330 4.803 4.470 0.005 0.000 0.263 627 S C 1.118 175.891 174.600 0.288 0.000 1.287 627 S CA -0.110 58.244 58.200 0.256 0.000 0.990 627 S CB 1.461 64.845 63.200 0.306 0.000 0.950 627 S HN 0.693 nan 8.310 nan 0.000 0.561 628 A N 0.979 124.087 122.820 0.480 0.000 1.902 628 A HA 0.107 4.430 4.320 0.005 0.000 0.217 628 A C -0.384 177.395 177.584 0.324 0.000 1.181 628 A CA 1.364 53.605 52.037 0.339 0.000 0.623 628 A CB -2.146 17.075 19.000 0.368 0.000 0.818 628 A HN 0.727 nan 8.150 nan 0.000 0.443 629 P HA -0.153 nan 4.420 nan 0.000 0.215 629 P C 1.142 178.582 177.300 0.233 0.000 1.153 629 P CA 1.521 64.790 63.100 0.281 0.000 0.853 629 P CB -0.051 31.786 31.700 0.228 0.000 0.788 630 E N -1.142 119.173 120.200 0.191 0.000 2.106 630 E HA -0.154 4.200 4.350 0.005 0.000 0.192 630 E C 1.982 178.676 176.600 0.158 0.000 0.984 630 E CA 0.871 57.342 56.400 0.120 0.000 0.806 630 E CB -0.500 29.251 29.700 0.085 0.000 0.750 630 E HN 0.237 nan 8.360 nan 0.000 0.458 631 M N 0.686 120.441 119.600 0.259 0.000 2.117 631 M HA -0.163 4.320 4.480 0.005 0.000 0.262 631 M C 1.946 178.480 176.300 0.390 0.000 1.065 631 M CA 1.549 57.100 55.300 0.418 0.000 1.114 631 M CB -0.124 32.740 32.600 0.440 0.000 1.361 631 M HN -0.015 nan 8.290 nan 0.000 0.408 632 T N 0.307 115.072 114.554 0.352 0.000 2.652 632 T HA -0.172 4.181 4.350 0.005 0.000 0.267 632 T C 1.730 176.519 174.700 0.149 0.000 1.039 632 T CA 1.840 64.109 62.100 0.282 0.000 1.153 632 T CB -0.577 68.540 68.868 0.416 0.000 0.863 632 T HN 0.354 nan 8.240 nan 0.000 0.428 633 V N 1.293 121.222 119.914 0.026 0.000 2.358 633 V HA -0.059 4.064 4.120 0.005 0.000 0.246 633 V C 2.321 178.535 176.094 0.201 0.000 1.047 633 V CA 1.400 63.660 62.300 -0.067 0.000 1.035 633 V CB -0.425 31.154 31.823 -0.407 0.000 0.658 633 V HN 0.388 nan 8.190 nan 0.000 0.452 634 L N -0.210 121.088 121.223 0.126 0.000 2.012 634 L HA -0.166 4.177 4.340 0.005 0.000 0.210 634 L C 2.207 179.194 176.870 0.196 0.000 1.073 634 L CA 2.518 57.436 54.840 0.130 0.000 0.748 634 L CB -0.675 41.361 42.059 -0.038 0.000 0.891 634 L HN 0.383 nan 8.230 nan 0.000 0.431 635 L N -1.028 120.272 121.223 0.129 0.000 2.056 635 L HA -0.002 4.341 4.340 0.005 0.000 0.207 635 L C 2.270 178.820 176.870 -0.533 0.000 1.078 635 L CA 1.582 56.352 54.840 -0.117 0.000 0.749 635 L CB -0.839 41.042 42.059 -0.296 0.000 0.901 635 L HN 0.370 nan 8.230 nan 0.000 0.433 636 G N -1.119 107.312 108.800 -0.616 0.000 2.422 636 G HA2 -0.163 3.800 3.960 0.005 0.000 0.218 636 G HA3 -0.163 3.800 3.960 0.005 0.000 0.218 636 G C 1.425 176.069 174.900 -0.427 0.000 1.140 636 G CA 0.535 45.008 45.100 -1.046 0.000 0.775 636 G HN 0.552 nan 8.290 nan 0.000 0.545 637 G N 1.058 109.867 108.800 0.015 0.000 2.414 637 G HA2 -0.128 3.835 3.960 0.005 0.000 0.215 637 G HA3 -0.128 3.835 3.960 0.005 0.000 0.215 637 G C 1.794 176.511 174.900 -0.305 0.000 1.188 637 G CA 0.682 45.680 45.100 -0.170 0.000 0.783 637 G HN 0.392 nan 8.290 nan 0.000 0.537 638 L N 0.026 121.177 121.223 -0.120 0.000 2.043 638 L HA -0.127 4.216 4.340 0.005 0.000 0.212 638 L C 3.219 179.944 176.870 -0.242 0.000 1.075 638 L CA 1.020 55.761 54.840 -0.164 0.000 0.752 638 L CB -0.390 41.542 42.059 -0.211 0.000 0.891 638 L HN 0.095 nan 8.230 nan 0.000 0.432 639 R N 0.075 120.369 120.500 -0.342 0.000 2.096 639 R HA -0.163 4.180 4.340 0.005 0.000 0.240 639 R C 2.143 178.291 176.300 -0.254 0.000 1.139 639 R CA 1.955 57.845 56.100 -0.349 0.000 0.952 639 R CB -1.028 28.938 30.300 -0.558 0.000 0.854 639 R HN 0.493 nan 8.270 nan 0.000 0.436 640 V N -1.789 117.970 119.914 -0.258 0.000 3.306 640 V HA 0.044 4.167 4.120 0.005 0.000 0.264 640 V C 1.938 177.933 176.094 -0.165 0.000 1.149 640 V CA 0.959 63.146 62.300 -0.187 0.000 1.143 640 V CB -0.463 31.253 31.823 -0.178 0.000 0.767 640 V HN 0.089 nan 8.190 nan 0.000 0.476 641 L N 1.397 122.503 121.223 -0.196 0.000 2.558 641 L HA 0.489 4.832 4.340 0.005 0.000 0.225 641 L C 1.784 178.587 176.870 -0.112 0.000 1.128 641 L CA 0.787 55.524 54.840 -0.173 0.000 0.868 641 L CB -0.427 41.497 42.059 -0.226 0.000 1.006 641 L HN 0.597 nan 8.230 nan 0.000 0.454 642 G N 0.085 108.825 108.800 -0.101 0.000 2.165 642 G HA2 -0.244 3.719 3.960 0.005 0.000 0.226 642 G HA3 -0.244 3.719 3.960 0.005 0.000 0.226 642 G C 0.690 175.567 174.900 -0.039 0.000 1.035 642 G CA 0.158 45.222 45.100 -0.059 0.000 0.744 642 G HN 0.379 nan 8.290 nan 0.000 0.501 643 A N -0.578 122.205 122.820 -0.061 0.000 2.238 643 A HA 0.347 4.670 4.320 0.005 0.000 0.208 643 A C 1.147 178.723 177.584 -0.014 0.000 1.177 643 A CA 0.473 52.491 52.037 -0.032 0.000 0.804 643 A CB -0.091 18.856 19.000 -0.089 0.000 0.823 643 A HN 0.442 nan 8.150 nan 0.000 0.482 644 N N 0.367 119.054 118.700 -0.022 0.000 2.458 644 N HA 0.195 4.938 4.740 0.005 0.000 0.258 644 N C -0.124 175.416 175.510 0.051 0.000 1.219 644 N CA 0.131 53.191 53.050 0.016 0.000 0.902 644 N CB 0.772 39.261 38.487 0.003 0.000 1.076 644 N HN 0.030 nan 8.380 nan 0.000 0.455 645 V N 1.550 121.517 119.914 0.089 0.000 2.599 645 V HA 0.210 4.333 4.120 0.005 0.000 0.300 645 V C 1.531 177.674 176.094 0.081 0.000 1.034 645 V CA 1.044 63.393 62.300 0.082 0.000 1.115 645 V CB 0.327 32.207 31.823 0.096 0.000 0.934 645 V HN 0.977 nan 8.190 nan 0.000 0.485 646 G N 3.482 112.318 108.800 0.059 0.000 2.159 646 G HA2 -0.265 3.698 3.960 0.005 0.000 0.256 646 G HA3 -0.265 3.698 3.960 0.005 0.000 0.256 646 G C 0.348 175.263 174.900 0.025 0.000 0.977 646 G CA 0.209 45.338 45.100 0.048 0.000 0.652 646 G HN 0.840 nan 8.290 nan 0.000 0.531 647 Q N -1.331 118.481 119.800 0.020 0.000 2.481 647 Q HA -0.200 4.143 4.340 0.005 0.000 0.272 647 Q C 0.848 176.839 176.000 -0.017 0.000 1.157 647 Q CA 1.485 57.291 55.803 0.005 0.000 0.935 647 Q CB -2.119 26.623 28.738 0.008 0.000 1.338 647 Q HN 1.635 nan 8.270 nan 0.000 0.494 648 S N -0.064 115.619 115.700 -0.028 0.000 2.560 648 S HA 0.155 4.628 4.470 0.005 0.000 0.284 648 S C 1.293 175.840 174.600 -0.088 0.000 1.327 648 S CA -0.259 57.878 58.200 -0.106 0.000 1.055 648 S CB 0.628 63.757 63.200 -0.118 0.000 0.868 648 S HN 0.258 nan 8.310 nan 0.000 0.506 649 R N 2.495 122.924 120.500 -0.119 0.000 2.299 649 R HA 0.040 4.383 4.340 0.005 0.000 0.197 649 R C 0.020 176.389 176.300 0.115 0.000 0.971 649 R CA 0.257 56.370 56.100 0.020 0.000 1.030 649 R CB -0.761 29.591 30.300 0.086 0.000 0.932 649 R HN 0.741 nan 8.270 nan 0.000 0.477 650 H N 0.461 119.593 119.070 0.104 0.000 3.091 650 H HA 0.086 4.646 4.556 0.005 0.000 0.289 650 H C 1.187 176.484 175.328 -0.052 0.000 0.995 650 H CA 0.413 56.529 56.048 0.113 0.000 1.461 650 H CB 0.394 30.225 29.762 0.115 0.000 1.510 650 H HN 0.399 nan 8.280 nan 0.000 0.546 651 G N 2.677 111.427 108.800 -0.084 0.000 2.159 651 G HA2 -0.295 3.668 3.960 0.005 0.000 0.256 651 G HA3 -0.295 3.668 3.960 0.005 0.000 0.256 651 G C 0.346 174.677 174.900 -0.947 0.000 0.977 651 G CA 0.177 44.767 45.100 -0.851 0.000 0.652 651 G HN 0.533 nan 8.290 nan 0.000 0.531 652 V N 1.967 121.644 119.914 -0.394 0.000 2.056 652 V HA 0.327 4.450 4.120 0.005 0.000 0.267 652 V C 0.652 176.695 176.094 -0.084 0.000 1.535 652 V CA -0.181 62.001 62.300 -0.197 0.000 1.475 652 V CB -0.809 31.001 31.823 -0.022 0.000 1.441 652 V HN 0.345 nan 8.190 nan 0.000 0.500 653 F N 1.863 121.616 119.950 -0.327 0.000 2.659 653 F HA 0.378 4.909 4.527 0.006 0.000 0.360 653 F C 0.920 176.308 175.800 -0.687 0.000 1.218 653 F CA -0.135 57.212 58.000 -1.088 0.000 1.317 653 F CB 0.273 38.541 39.000 -1.220 0.000 1.697 653 F HN 0.373 nan 8.300 nan 0.000 0.637 654 T N -0.194 114.343 114.554 -0.029 0.000 2.853 654 T HA 0.587 4.940 4.350 0.005 0.000 0.311 654 T C -0.085 174.796 174.700 0.302 0.000 1.307 654 T CA -0.213 61.966 62.100 0.131 0.000 1.019 654 T CB 1.757 70.637 68.868 0.020 0.000 1.264 654 T HN 0.220 nan 8.240 nan 0.000 0.497 655 A N 2.594 125.558 122.820 0.239 0.000 2.465 655 A HA 0.361 4.684 4.320 0.005 0.000 0.255 655 A C 0.757 178.400 177.584 0.098 0.000 1.274 655 A CA -0.316 51.825 52.037 0.174 0.000 0.920 655 A CB -0.042 19.043 19.000 0.140 0.000 1.033 655 A HN 0.655 nan 8.150 nan 0.000 0.516 656 R N 0.649 121.195 120.500 0.075 0.000 2.748 656 R HA 0.378 4.721 4.340 0.005 0.000 0.283 656 R C -0.596 175.713 176.300 0.014 0.000 1.507 656 R CA -0.411 55.712 56.100 0.038 0.000 1.666 656 R CB 0.073 30.391 30.300 0.030 0.000 1.237 656 R HN 0.357 nan 8.270 nan 0.000 0.633 657 E N 1.928 122.139 120.200 0.018 0.000 2.415 657 E HA -0.100 4.253 4.350 0.005 0.000 0.262 657 E C -0.218 176.365 176.600 -0.027 0.000 1.038 657 E CA 0.475 56.870 56.400 -0.008 0.000 0.921 657 E CB 0.478 30.181 29.700 0.005 0.000 0.950 657 E HN 0.493 nan 8.360 nan 0.000 0.438 658 Q N -1.142 118.624 119.800 -0.056 0.000 2.465 658 Q HA -0.248 4.095 4.340 0.005 0.000 0.248 658 Q C -1.113 174.846 176.000 -0.069 0.000 0.819 658 Q CA 0.620 56.382 55.803 -0.068 0.000 1.219 658 Q CB -1.765 26.945 28.738 -0.046 0.000 1.472 658 Q HN 0.493 nan 8.270 nan 0.000 0.630 659 A N 0.853 123.634 122.820 -0.064 0.000 2.318 659 A HA 0.616 4.939 4.320 0.005 0.000 0.324 659 A C -0.389 177.143 177.584 -0.085 0.000 1.170 659 A CA -0.578 51.427 52.037 -0.053 0.000 0.810 659 A CB 0.943 19.934 19.000 -0.015 0.000 1.198 659 A HN 0.181 nan 8.150 nan 0.000 0.484 660 L N 4.043 125.206 121.223 -0.101 0.000 2.454 660 L HA 0.438 4.781 4.340 0.005 0.000 0.284 660 L C 0.613 177.485 176.870 0.002 0.000 1.139 660 L CA 1.032 55.801 54.840 -0.118 0.000 0.911 660 L CB -0.446 41.488 42.059 -0.208 0.000 1.262 660 L HN 0.857 nan 8.230 nan 0.000 0.453 661 T N 0.273 114.815 114.554 -0.019 0.000 2.838 661 T HA 0.403 4.756 4.350 0.005 0.000 0.292 661 T C 0.460 174.868 174.700 -0.486 0.000 1.113 661 T CA -0.557 61.491 62.100 -0.087 0.000 1.008 661 T CB 1.189 70.023 68.868 -0.057 0.000 1.259 661 T HN 0.474 nan 8.240 nan 0.000 0.520 662 N N -0.156 118.200 118.700 -0.574 0.000 2.322 662 N HA 0.059 4.802 4.740 0.005 0.000 0.216 662 N C 0.201 175.566 175.510 -0.241 0.000 1.144 662 N CA -0.141 52.445 53.050 -0.775 0.000 0.830 662 N CB -0.306 37.940 38.487 -0.401 0.000 1.034 662 N HN 0.531 nan 8.380 nan 0.000 0.484 663 D N 0.832 121.109 120.400 -0.204 0.000 2.158 663 D HA -0.191 4.452 4.640 0.005 0.000 0.197 663 D C 1.255 177.474 176.300 -0.134 0.000 0.995 663 D CA 0.799 54.734 54.000 -0.107 0.000 0.846 663 D CB -0.376 40.382 40.800 -0.071 0.000 0.941 663 D HN 0.362 nan 8.370 nan 0.000 0.456 664 F N 0.432 120.146 119.950 -0.393 0.000 2.091 664 F HA -0.268 4.263 4.527 0.006 0.000 0.299 664 F C 1.946 177.492 175.800 -0.424 0.000 1.103 664 F CA 1.523 59.231 58.000 -0.487 0.000 1.228 664 F CB -0.466 38.031 39.000 -0.839 0.000 0.984 664 F HN -0.092 nan 8.300 nan 0.000 0.477 665 F N -0.566 119.337 119.950 -0.079 0.000 2.163 665 F HA -0.128 4.402 4.527 0.005 0.000 0.297 665 F C 2.340 178.064 175.800 -0.127 0.000 1.094 665 F CA 1.223 59.160 58.000 -0.105 0.000 1.290 665 F CB -1.131 37.895 39.000 0.043 0.000 1.017 665 F HN -0.227 nan 8.300 nan 0.000 0.483 666 V N 0.462 120.417 119.914 0.069 0.000 2.295 666 V HA -0.277 3.846 4.120 0.005 0.000 0.246 666 V C 2.068 178.141 176.094 -0.035 0.000 1.049 666 V CA 1.939 64.258 62.300 0.032 0.000 1.024 666 V CB -0.599 31.244 31.823 0.033 0.000 0.648 666 V HN 0.357 nan 8.190 nan 0.000 0.447 667 N N -0.082 118.546 118.700 -0.121 0.000 2.216 667 N HA -0.087 4.657 4.740 0.005 0.000 0.183 667 N C 1.712 177.033 175.510 -0.314 0.000 1.017 667 N CA 1.009 53.947 53.050 -0.187 0.000 0.861 667 N CB -0.364 37.905 38.487 -0.364 0.000 0.986 667 N HN 0.357 nan 8.380 nan 0.000 0.428 668 L N 1.259 122.219 121.223 -0.439 0.000 2.042 668 L HA -0.054 4.289 4.340 0.005 0.000 0.210 668 L C 1.706 178.459 176.870 -0.195 0.000 1.076 668 L CA 1.512 56.072 54.840 -0.467 0.000 0.749 668 L CB -0.476 41.233 42.059 -0.583 0.000 0.893 668 L HN 0.103 nan 8.230 nan 0.000 0.432 669 L N -0.666 120.500 121.223 -0.095 0.000 2.591 669 L HA 0.071 4.414 4.340 0.005 0.000 0.228 669 L C 0.250 177.130 176.870 0.017 0.000 1.133 669 L CA -0.224 54.607 54.840 -0.014 0.000 0.880 669 L CB -0.502 41.574 42.059 0.028 0.000 1.033 669 L HN 0.177 nan 8.230 nan 0.000 0.450 670 D N 0.880 121.295 120.400 0.025 0.000 2.349 670 D HA -0.055 4.588 4.640 0.005 0.000 0.266 670 D C 0.985 177.327 176.300 0.069 0.000 1.293 670 D CA 0.058 54.087 54.000 0.050 0.000 0.926 670 D CB 1.162 42.002 40.800 0.067 0.000 1.090 670 D HN -0.067 nan 8.370 nan 0.000 0.502 671 M N 3.598 123.226 119.600 0.048 0.000 2.460 671 M HA 0.086 4.569 4.480 0.005 0.000 0.263 671 M C 1.881 178.198 176.300 0.028 0.000 1.071 671 M CA 0.949 56.276 55.300 0.045 0.000 1.096 671 M CB -0.480 32.137 32.600 0.027 0.000 1.408 671 M HN 0.434 nan 8.290 nan 0.000 0.463 672 G N -0.688 108.123 108.800 0.018 0.000 2.516 672 G HA2 -0.142 3.822 3.960 0.005 0.000 0.221 672 G HA3 -0.142 3.822 3.960 0.005 0.000 0.221 672 G C 0.495 175.371 174.900 -0.040 0.000 1.107 672 G CA 1.175 46.270 45.100 -0.009 0.000 0.747 672 G HN 0.483 nan 8.290 nan 0.000 0.567 673 T N -0.222 114.313 114.554 -0.032 0.000 2.823 673 T HA 0.515 4.868 4.350 0.005 0.000 0.279 673 T C -0.783 173.822 174.700 -0.157 0.000 0.998 673 T CA -0.521 61.489 62.100 -0.149 0.000 0.994 673 T CB 2.694 71.466 68.868 -0.160 0.000 0.960 673 T HN 0.199 nan 8.240 nan 0.000 0.448 674 E N 1.558 121.591 120.200 -0.278 0.000 2.195 674 E HA 0.434 4.787 4.350 0.005 0.000 0.271 674 E C -1.450 174.949 176.600 -0.335 0.000 0.923 674 E CA -0.841 55.458 56.400 -0.168 0.000 0.790 674 E CB 1.212 30.861 29.700 -0.085 0.000 1.155 674 E HN 0.543 nan 8.360 nan 0.000 0.402 675 W N 2.878 124.189 121.300 0.018 0.000 2.632 675 W HA 0.474 5.137 4.660 0.005 0.000 0.328 675 W C -0.424 176.162 176.519 0.113 0.000 1.044 675 W CA -0.620 56.762 57.345 0.062 0.000 1.225 675 W CB 1.526 30.991 29.460 0.009 0.000 1.396 675 W HN 0.236 nan 8.180 nan 0.000 0.499 676 K N 3.314 123.935 120.400 0.370 0.000 2.501 676 K HA 0.407 4.730 4.320 0.005 0.000 0.252 676 K C -2.634 174.168 176.600 0.337 0.000 0.934 676 K CA -1.998 54.470 56.287 0.302 0.000 0.797 676 K CB 2.431 35.014 32.500 0.138 0.000 1.270 676 K HN -0.002 nan 8.250 nan 0.000 0.431 677 P HA -0.057 nan 4.420 nan 0.000 0.267 677 P C -0.367 176.865 177.300 -0.112 0.000 1.200 677 P CA -0.166 62.819 63.100 -0.192 0.000 0.772 677 P CB 0.238 31.837 31.700 -0.168 0.000 0.855 678 T N -1.106 113.342 114.554 -0.177 0.000 2.882 678 T HA 0.429 4.782 4.350 0.005 0.000 0.287 678 T C 1.502 176.159 174.700 -0.072 0.000 1.014 678 T CA -0.151 61.903 62.100 -0.078 0.000 1.049 678 T CB 0.789 69.619 68.868 -0.063 0.000 1.001 678 T HN 0.380 nan 8.240 nan 0.000 0.525 679 A N 1.945 124.743 122.820 -0.037 0.000 1.873 679 A HA 0.042 4.365 4.320 0.005 0.000 0.218 679 A C 2.636 180.198 177.584 -0.036 0.000 1.193 679 A CA 2.095 54.115 52.037 -0.030 0.000 0.629 679 A CB -1.572 17.418 19.000 -0.016 0.000 0.826 679 A HN 1.278 nan 8.150 nan 0.000 0.447 680 A N -1.950 120.850 122.820 -0.033 0.000 1.969 680 A HA 0.057 4.380 4.320 0.005 0.000 0.218 680 A C 0.877 178.432 177.584 -0.048 0.000 1.169 680 A CA 1.587 53.605 52.037 -0.030 0.000 0.635 680 A CB -0.077 18.914 19.000 -0.015 0.000 0.810 680 A HN 0.444 nan 8.150 nan 0.000 0.445 681 D N -2.420 117.934 120.400 -0.077 0.000 2.616 681 D HA 0.534 5.177 4.640 0.005 0.000 0.238 681 D C 0.525 176.709 176.300 -0.193 0.000 1.354 681 D CA 0.287 54.220 54.000 -0.111 0.000 0.970 681 D CB 1.471 42.213 40.800 -0.096 0.000 1.369 681 D HN 0.031 nan 8.370 nan 0.000 0.585 682 A N 3.074 125.790 122.820 -0.173 0.000 2.125 682 A HA -0.122 4.201 4.320 0.005 0.000 0.219 682 A C 1.224 178.583 177.584 -0.375 0.000 1.156 682 A CA 1.133 53.038 52.037 -0.221 0.000 0.671 682 A CB 0.095 19.032 19.000 -0.105 0.000 0.794 682 A HN 0.478 nan 8.150 nan 0.000 0.459 683 D N -0.976 119.241 120.400 -0.306 0.000 2.349 683 D HA 0.218 4.861 4.640 0.005 0.000 0.214 683 D C -0.173 175.920 176.300 -0.345 0.000 1.063 683 D CA 0.366 54.219 54.000 -0.246 0.000 0.847 683 D CB 0.615 41.360 40.800 -0.092 0.000 0.933 683 D HN 0.174 nan 8.370 nan 0.000 0.513 684 V N 0.843 120.428 119.914 -0.548 0.000 2.680 684 V HA 0.477 4.600 4.120 0.005 0.000 0.309 684 V C -0.687 175.084 176.094 -0.540 0.000 1.052 684 V CA -0.785 61.269 62.300 -0.410 0.000 0.908 684 V CB 2.005 33.680 31.823 -0.246 0.000 1.001 684 V HN -0.170 nan 8.190 nan 0.000 0.431 685 F N 1.121 121.124 119.950 0.088 0.000 2.565 685 F HA 0.554 5.084 4.527 0.005 0.000 0.313 685 F C 0.222 176.215 175.800 0.322 0.000 1.091 685 F CA -0.649 57.487 58.000 0.226 0.000 0.915 685 F CB 2.005 41.187 39.000 0.304 0.000 1.208 685 F HN 0.401 nan 8.300 nan 0.000 0.453 686 E N 0.867 121.301 120.200 0.390 0.000 2.179 686 E HA 0.584 4.937 4.350 0.005 0.000 0.275 686 E C -0.356 176.199 176.600 -0.074 0.000 0.945 686 E CA -0.833 55.677 56.400 0.182 0.000 0.792 686 E CB 2.057 31.794 29.700 0.062 0.000 1.125 686 E HN 0.789 nan 8.360 nan 0.000 0.397 687 G N 2.980 111.473 108.800 -0.511 0.000 2.468 687 G HA2 0.389 4.352 3.960 0.005 0.000 0.315 687 G HA3 0.389 4.352 3.960 0.005 0.000 0.315 687 G C -0.454 174.032 174.900 -0.690 0.000 1.203 687 G CA -0.556 43.761 45.100 -1.305 0.000 0.962 687 G HN 0.312 nan 8.290 nan 0.000 0.476 688 R N 2.240 122.423 120.500 -0.528 0.000 2.514 688 R HA 0.234 4.577 4.340 0.005 0.000 0.301 688 R C -0.777 175.354 176.300 -0.282 0.000 0.962 688 R CA -0.979 54.925 56.100 -0.326 0.000 0.882 688 R CB 2.053 32.228 30.300 -0.209 0.000 1.143 688 R HN 0.528 nan 8.270 nan 0.000 0.452 689 D N 2.532 122.790 120.400 -0.236 0.000 2.662 689 D HA -0.106 4.537 4.640 0.005 0.000 0.237 689 D C 0.939 177.163 176.300 -0.127 0.000 1.154 689 D CA 0.676 54.574 54.000 -0.170 0.000 0.861 689 D CB 0.631 41.341 40.800 -0.151 0.000 1.146 689 D HN 0.450 nan 8.370 nan 0.000 0.518 690 R N 2.904 123.341 120.500 -0.104 0.000 2.119 690 R HA -0.233 4.110 4.340 0.005 0.000 0.246 690 R C 1.936 178.200 176.300 -0.059 0.000 1.146 690 R CA 2.082 58.138 56.100 -0.073 0.000 0.962 690 R CB -0.017 30.254 30.300 -0.050 0.000 0.863 690 R HN 0.565 nan 8.270 nan 0.000 0.442 691 A N -0.595 122.190 122.820 -0.058 0.000 1.861 691 A HA -0.101 4.222 4.320 0.005 0.000 0.212 691 A C 2.159 179.712 177.584 -0.051 0.000 1.199 691 A CA 1.648 53.657 52.037 -0.047 0.000 0.613 691 A CB -0.645 18.330 19.000 -0.041 0.000 0.846 691 A HN 0.495 nan 8.150 nan 0.000 0.446 692 T N -4.717 109.800 114.554 -0.062 0.000 3.054 692 T HA 0.377 4.730 4.350 0.005 0.000 0.259 692 T C 1.508 176.167 174.700 -0.068 0.000 1.092 692 T CA 1.328 63.391 62.100 -0.062 0.000 1.121 692 T CB 0.160 68.986 68.868 -0.070 0.000 0.912 692 T HN 1.757 nan 8.240 nan 0.000 0.489 693 G N 1.132 109.883 108.800 -0.082 0.000 2.195 693 G HA2 -0.259 3.704 3.960 0.005 0.000 0.246 693 G HA3 -0.259 3.704 3.960 0.005 0.000 0.246 693 G C -0.122 174.717 174.900 -0.101 0.000 0.984 693 G CA 0.218 45.267 45.100 -0.084 0.000 0.633 693 G HN 0.860 nan 8.290 nan 0.000 0.525 694 E N 0.703 120.835 120.200 -0.113 0.000 2.366 694 E HA 0.325 4.678 4.350 0.005 0.000 0.266 694 E C 0.595 177.090 176.600 -0.176 0.000 1.015 694 E CA -0.808 55.515 56.400 -0.129 0.000 0.906 694 E CB 0.283 29.904 29.700 -0.132 0.000 0.979 694 E HN 0.343 nan 8.360 nan 0.000 0.443 695 L N 5.595 126.721 121.223 -0.161 0.000 2.628 695 L HA -0.094 4.249 4.340 0.005 0.000 0.274 695 L C 0.621 177.321 176.870 -0.284 0.000 1.209 695 L CA 1.197 55.922 54.840 -0.190 0.000 0.930 695 L CB 0.302 42.292 42.059 -0.115 0.000 1.183 695 L HN 0.637 nan 8.230 nan 0.000 0.492 696 K N 3.387 123.535 120.400 -0.420 0.000 2.329 696 K HA 0.224 4.547 4.320 0.005 0.000 0.198 696 K C -0.794 175.324 176.600 -0.804 0.000 1.085 696 K CA 0.558 56.391 56.287 -0.758 0.000 0.961 696 K CB 0.346 32.251 32.500 -0.991 0.000 0.971 696 K HN 0.620 nan 8.250 nan 0.000 0.502 697 W N -0.158 121.071 121.300 -0.119 0.000 2.988 697 W HA 0.306 4.969 4.660 0.005 0.000 0.355 697 W C -0.770 175.864 176.519 0.192 0.000 1.233 697 W CA -1.010 56.396 57.345 0.101 0.000 1.176 697 W CB 0.673 30.239 29.460 0.176 0.000 1.477 697 W HN -0.236 nan 8.180 nan 0.000 0.582 698 T N -0.906 114.081 114.554 0.721 0.000 2.906 698 T HA 0.947 5.300 4.350 0.005 0.000 0.295 698 T C -0.450 174.740 174.700 0.817 0.000 1.075 698 T CA -0.560 61.948 62.100 0.681 0.000 1.005 698 T CB 2.019 71.215 68.868 0.548 0.000 1.136 698 T HN 1.076 nan 8.240 nan 0.000 0.498 699 G N 0.237 109.408 108.800 0.617 0.000 2.649 699 G HA2 0.663 4.626 3.960 0.005 0.000 0.290 699 G HA3 0.663 4.626 3.960 0.005 0.000 0.290 699 G C -0.504 174.533 174.900 0.228 0.000 1.426 699 G CA -0.279 45.069 45.100 0.414 0.000 0.794 699 G HN 1.096 nan 8.290 nan 0.000 0.483 700 T N -2.288 112.357 114.554 0.152 0.000 2.910 700 T HA 0.411 4.764 4.350 0.005 0.000 0.279 700 T C 1.392 176.234 174.700 0.237 0.000 0.989 700 T CA -0.542 61.657 62.100 0.165 0.000 0.968 700 T CB 1.714 70.622 68.868 0.067 0.000 1.135 700 T HN 0.464 nan 8.240 nan 0.000 0.562 701 R N -0.471 120.188 120.500 0.264 0.000 2.117 701 R HA -0.070 4.273 4.340 0.005 0.000 0.243 701 R C 2.222 178.525 176.300 0.006 0.000 1.143 701 R CA 1.227 57.403 56.100 0.126 0.000 0.968 701 R CB -0.931 29.450 30.300 0.136 0.000 0.863 701 R HN 0.466 nan 8.270 nan 0.000 0.444 702 V N 1.305 121.240 119.914 0.036 0.000 2.548 702 V HA -0.188 3.935 4.120 0.005 0.000 0.249 702 V C 1.560 177.745 176.094 0.151 0.000 1.055 702 V CA 1.714 64.032 62.300 0.031 0.000 1.065 702 V CB -0.311 31.518 31.823 0.009 0.000 0.681 702 V HN 0.269 nan 8.190 nan 0.000 0.462 703 D N 0.038 120.523 120.400 0.141 0.000 2.097 703 D HA -0.101 4.542 4.640 0.005 0.000 0.197 703 D C 1.906 178.324 176.300 0.197 0.000 0.984 703 D CA 1.114 55.257 54.000 0.239 0.000 0.826 703 D CB -0.070 40.822 40.800 0.153 0.000 0.973 703 D HN 0.279 nan 8.370 nan 0.000 0.460 704 L N 0.614 121.791 121.223 -0.076 0.000 2.395 704 L HA -0.014 4.329 4.340 0.005 0.000 0.218 704 L C 2.239 178.972 176.870 -0.229 0.000 1.130 704 L CA 0.517 55.166 54.840 -0.318 0.000 0.826 704 L CB -0.298 41.351 42.059 -0.683 0.000 0.941 704 L HN -0.105 nan 8.230 nan 0.000 0.451 705 V N -1.035 118.774 119.914 -0.175 0.000 2.594 705 V HA -0.280 3.843 4.120 0.005 0.000 0.253 705 V C 2.158 178.107 176.094 -0.241 0.000 1.069 705 V CA 1.668 63.823 62.300 -0.241 0.000 1.082 705 V CB -0.382 31.251 31.823 -0.316 0.000 0.680 705 V HN 0.372 nan 8.190 nan 0.000 0.469 706 F N 0.720 120.669 119.950 -0.002 0.000 2.502 706 F HA 0.137 4.667 4.527 0.005 0.000 0.298 706 F C 2.129 177.947 175.800 0.030 0.000 1.111 706 F CA 1.141 59.192 58.000 0.085 0.000 1.445 706 F CB -0.336 38.802 39.000 0.230 0.000 1.081 706 F HN 0.312 nan 8.300 nan 0.000 0.558 707 G N -2.168 106.653 108.800 0.034 0.000 3.159 707 G HA2 0.077 4.040 3.960 0.005 0.000 0.232 707 G HA3 0.077 4.040 3.960 0.005 0.000 0.232 707 G C 1.248 176.091 174.900 -0.095 0.000 1.116 707 G CA 0.685 45.750 45.100 -0.058 0.000 0.767 707 G HN 0.311 nan 8.290 nan 0.000 0.547 708 S N -0.914 114.731 115.700 -0.091 0.000 3.148 708 S HA 0.129 4.602 4.470 0.005 0.000 0.246 708 S C 0.741 175.291 174.600 -0.083 0.000 1.041 708 S CA -0.327 57.806 58.200 -0.112 0.000 0.813 708 S CB -0.326 62.780 63.200 -0.156 0.000 0.813 708 S HN 0.326 nan 8.310 nan 0.000 0.546 709 H N 2.649 121.632 119.070 -0.145 0.000 2.964 709 H HA 0.133 4.692 4.556 0.005 0.000 0.328 709 H C 1.345 176.618 175.328 -0.091 0.000 1.030 709 H CA 1.126 57.096 56.048 -0.130 0.000 1.445 709 H CB 1.198 30.870 29.762 -0.149 0.000 1.449 709 H HN 0.510 nan 8.280 nan 0.000 0.581 710 S N 2.625 118.067 115.700 -0.430 0.000 2.453 710 S HA -0.152 4.321 4.470 0.005 0.000 0.231 710 S C 1.824 176.406 174.600 -0.031 0.000 1.005 710 S CA 0.880 58.961 58.200 -0.199 0.000 0.949 710 S CB 0.072 63.119 63.200 -0.255 0.000 0.774 710 S HN 0.776 nan 8.310 nan 0.000 0.510 711 Q N 0.842 120.710 119.800 0.113 0.000 2.123 711 Q HA 0.187 4.530 4.340 0.005 0.000 0.196 711 Q C 2.073 178.221 176.000 0.248 0.000 0.958 711 Q CA 0.688 56.625 55.803 0.224 0.000 0.841 711 Q CB -0.179 28.738 28.738 0.298 0.000 0.915 711 Q HN 0.556 nan 8.270 nan 0.000 0.455 712 L N 0.261 121.685 121.223 0.334 0.000 2.093 712 L HA -0.126 4.217 4.340 0.005 0.000 0.208 712 L C 2.718 179.747 176.870 0.265 0.000 1.085 712 L CA 1.123 56.098 54.840 0.225 0.000 0.755 712 L CB -0.376 41.680 42.059 -0.005 0.000 0.904 712 L HN 0.237 nan 8.230 nan 0.000 0.435 713 R N 0.305 120.918 120.500 0.189 0.000 2.096 713 R HA -0.150 4.193 4.340 0.005 0.000 0.235 713 R C 2.325 178.700 176.300 0.126 0.000 1.127 713 R CA 1.267 57.458 56.100 0.152 0.000 0.968 713 R CB -0.155 30.185 30.300 0.067 0.000 0.861 713 R HN 0.332 nan 8.270 nan 0.000 0.440 714 A N 0.839 123.718 122.820 0.099 0.000 1.933 714 A HA -0.115 4.208 4.320 0.005 0.000 0.218 714 A C 2.094 179.717 177.584 0.065 0.000 1.175 714 A CA 1.088 53.161 52.037 0.061 0.000 0.628 714 A CB -0.395 18.631 19.000 0.043 0.000 0.814 714 A HN 0.314 nan 8.150 nan 0.000 0.444 715 L N -0.955 120.347 121.223 0.131 0.000 2.027 715 L HA -0.138 4.205 4.340 0.005 0.000 0.206 715 L C 3.107 180.071 176.870 0.156 0.000 1.074 715 L CA 1.016 55.946 54.840 0.150 0.000 0.745 715 L CB -0.728 41.494 42.059 0.272 0.000 0.898 715 L HN 0.403 nan 8.230 nan 0.000 0.433 716 A N 0.184 123.163 122.820 0.265 0.000 1.940 716 A HA -0.253 4.070 4.320 0.005 0.000 0.219 716 A C 2.154 179.811 177.584 0.120 0.000 1.176 716 A CA 1.912 54.124 52.037 0.292 0.000 0.631 716 A CB -0.507 18.812 19.000 0.531 0.000 0.814 716 A HN 0.473 nan 8.150 nan 0.000 0.446 717 E N -0.505 119.742 120.200 0.080 0.000 2.077 717 E HA -0.136 4.218 4.350 0.005 0.000 0.193 717 E C 1.992 178.557 176.600 -0.059 0.000 0.989 717 E CA 1.294 57.707 56.400 0.022 0.000 0.800 717 E CB -0.325 29.382 29.700 0.012 0.000 0.746 717 E HN 0.398 nan 8.360 nan 0.000 0.452 718 V N 0.512 120.335 119.914 -0.152 0.000 2.252 718 V HA -0.304 3.819 4.120 0.005 0.000 0.249 718 V C 1.868 177.746 176.094 -0.359 0.000 1.056 718 V CA 1.997 64.115 62.300 -0.303 0.000 1.022 718 V CB -0.639 30.889 31.823 -0.492 0.000 0.641 718 V HN 0.348 nan 8.190 nan 0.000 0.445 719 Y N 0.428 120.602 120.300 -0.211 0.000 2.509 719 Y HA 0.087 4.640 4.550 0.006 0.000 0.293 719 Y C 2.312 178.107 175.900 -0.175 0.000 1.133 719 Y CA 0.730 58.653 58.100 -0.295 0.000 1.283 719 Y CB -0.296 37.655 38.460 -0.849 0.000 1.001 719 Y HN 0.331 nan 8.280 nan 0.000 0.555 720 G N -0.889 107.933 108.800 0.037 0.000 3.233 720 G HA2 0.050 4.013 3.960 0.005 0.000 0.227 720 G HA3 0.050 4.013 3.960 0.005 0.000 0.227 720 G C 0.184 175.121 174.900 0.060 0.000 1.175 720 G CA -0.180 44.995 45.100 0.125 0.000 0.781 720 G HN 0.059 nan 8.290 nan 0.000 0.542 721 S N -0.208 115.506 115.700 0.023 0.000 2.592 721 S HA 0.451 4.924 4.470 0.005 0.000 0.271 721 S C 1.645 176.264 174.600 0.032 0.000 1.326 721 S CA 0.021 58.230 58.200 0.014 0.000 1.024 721 S CB 1.662 64.853 63.200 -0.016 0.000 0.921 721 S HN 0.346 nan 8.310 nan 0.000 0.527 722 A N 1.574 124.411 122.820 0.028 0.000 2.067 722 A HA -0.107 4.216 4.320 0.005 0.000 0.219 722 A C 1.477 179.087 177.584 0.042 0.000 1.158 722 A CA 1.498 53.557 52.037 0.036 0.000 0.661 722 A CB -0.452 18.564 19.000 0.028 0.000 0.801 722 A HN 0.850 nan 8.150 nan 0.000 0.452 723 D N -1.038 119.383 120.400 0.034 0.000 2.328 723 D HA 0.342 4.985 4.640 0.005 0.000 0.221 723 D C 0.887 177.222 176.300 0.058 0.000 1.072 723 D CA 0.721 54.745 54.000 0.040 0.000 0.850 723 D CB -0.054 40.759 40.800 0.022 0.000 0.922 723 D HN 0.274 nan 8.370 nan 0.000 0.516 724 A N -0.117 122.747 122.820 0.074 0.000 2.390 724 A HA 0.124 4.447 4.320 0.005 0.000 0.232 724 A C 1.888 179.588 177.584 0.194 0.000 1.233 724 A CA -0.028 52.072 52.037 0.105 0.000 0.907 724 A CB 0.017 19.058 19.000 0.070 0.000 0.967 724 A HN 0.115 nan 8.150 nan 0.000 0.512 725 Q N 0.585 120.493 119.800 0.180 0.000 2.050 725 Q HA -0.167 4.176 4.340 0.005 0.000 0.202 725 Q C 1.831 177.978 176.000 0.245 0.000 0.980 725 Q CA 2.082 58.021 55.803 0.227 0.000 0.840 725 Q CB -0.115 28.759 28.738 0.227 0.000 0.898 725 Q HN 0.579 nan 8.270 nan 0.000 0.424 726 E N 0.235 120.578 120.200 0.240 0.000 2.047 726 E HA -0.199 4.154 4.350 0.005 0.000 0.191 726 E C 1.858 178.546 176.600 0.146 0.000 0.987 726 E CA 1.140 57.662 56.400 0.203 0.000 0.799 726 E CB -0.156 29.667 29.700 0.204 0.000 0.752 726 E HN 0.368 nan 8.360 nan 0.000 0.449 727 K N 0.083 120.580 120.400 0.161 0.000 2.074 727 K HA -0.203 4.121 4.320 0.005 0.000 0.209 727 K C 2.155 178.893 176.600 0.230 0.000 1.048 727 K CA 1.467 57.854 56.287 0.167 0.000 0.926 727 K CB -0.340 32.252 32.500 0.153 0.000 0.713 727 K HN 0.038 nan 8.250 nan 0.000 0.444 728 F N 0.964 121.029 119.950 0.192 0.000 2.075 728 F HA -0.194 4.336 4.527 0.005 0.000 0.297 728 F C 1.774 177.617 175.800 0.072 0.000 1.113 728 F CA 1.413 59.509 58.000 0.160 0.000 1.218 728 F CB -0.564 38.519 39.000 0.138 0.000 0.984 728 F HN -0.192 nan 8.300 nan 0.000 0.472 729 V N 1.461 121.252 119.914 -0.204 0.000 2.282 729 V HA -0.332 3.791 4.120 0.005 0.000 0.249 729 V C 2.701 178.689 176.094 -0.177 0.000 1.057 729 V CA 2.264 64.385 62.300 -0.298 0.000 1.032 729 V CB -0.743 30.924 31.823 -0.260 0.000 0.645 729 V HN 0.305 nan 8.190 nan 0.000 0.447 730 R N 0.012 120.469 120.500 -0.072 0.000 2.075 730 R HA -0.098 4.245 4.340 0.005 0.000 0.232 730 R C 1.981 178.260 176.300 -0.034 0.000 1.126 730 R CA 1.412 57.500 56.100 -0.020 0.000 0.963 730 R CB -1.004 29.311 30.300 0.025 0.000 0.858 730 R HN 0.537 nan 8.270 nan 0.000 0.435 731 D N 0.216 120.591 120.400 -0.041 0.000 2.144 731 D HA -0.157 4.486 4.640 0.005 0.000 0.199 731 D C 1.634 177.844 176.300 -0.151 0.000 0.984 731 D CA 0.824 54.792 54.000 -0.054 0.000 0.834 731 D CB -0.343 40.475 40.800 0.030 0.000 0.955 731 D HN 0.127 nan 8.370 nan 0.000 0.465 732 F N 1.205 120.918 119.950 -0.395 0.000 2.113 732 F HA -0.169 4.360 4.527 0.004 0.000 0.297 732 F C 2.155 177.868 175.800 -0.145 0.000 1.103 732 F CA 0.942 58.712 58.000 -0.383 0.000 1.248 732 F CB -0.254 38.328 39.000 -0.697 0.000 0.999 732 F HN -0.220 nan 8.300 nan 0.000 0.475 733 V N 0.674 120.566 119.914 -0.037 0.000 2.490 733 V HA -0.309 3.814 4.120 0.005 0.000 0.250 733 V C 2.694 178.771 176.094 -0.030 0.000 1.061 733 V CA 1.720 64.025 62.300 0.007 0.000 1.064 733 V CB -1.555 30.297 31.823 0.049 0.000 0.670 733 V HN 0.508 nan 8.190 nan 0.000 0.461 734 A N -0.603 122.176 122.820 -0.068 0.000 1.898 734 A HA -0.141 4.182 4.320 0.005 0.000 0.216 734 A C 2.434 179.957 177.584 -0.103 0.000 1.181 734 A CA 1.928 53.930 52.037 -0.058 0.000 0.620 734 A CB -0.594 18.382 19.000 -0.040 0.000 0.819 734 A HN 0.360 nan 8.150 nan 0.000 0.442 735 V N -0.790 119.021 119.914 -0.172 0.000 2.591 735 V HA -0.133 3.990 4.120 0.005 0.000 0.249 735 V C 1.980 177.940 176.094 -0.222 0.000 1.053 735 V CA 1.592 63.780 62.300 -0.188 0.000 1.068 735 V CB -0.444 31.263 31.823 -0.193 0.000 0.689 735 V HN 0.783 nan 8.190 nan 0.000 0.462 736 W N 1.209 122.193 121.300 -0.528 0.000 2.318 736 W HA -0.308 4.354 4.660 0.003 0.000 0.313 736 W C 2.196 178.591 176.519 -0.207 0.000 1.221 736 W CA 2.315 59.402 57.345 -0.430 0.000 1.266 736 W CB -0.496 28.643 29.460 -0.535 0.000 1.150 736 W HN 0.514 nan 8.180 nan 0.000 0.496 737 N N 0.988 119.636 118.700 -0.086 0.000 2.188 737 N HA -0.235 4.508 4.740 0.005 0.000 0.184 737 N C 1.896 177.268 175.510 -0.230 0.000 1.018 737 N CA 2.305 55.274 53.050 -0.135 0.000 0.858 737 N CB -0.698 37.776 38.487 -0.022 0.000 0.989 737 N HN 0.152 nan 8.380 nan 0.000 0.426 738 K N -0.099 120.179 120.400 -0.204 0.000 2.063 738 K HA -0.103 4.220 4.320 0.005 0.000 0.208 738 K C 1.633 178.051 176.600 -0.303 0.000 1.048 738 K CA 1.412 57.567 56.287 -0.221 0.000 0.928 738 K CB -0.149 32.252 32.500 -0.166 0.000 0.713 738 K HN 0.048 nan 8.250 nan 0.000 0.442 739 V N 1.383 121.093 119.914 -0.340 0.000 2.358 739 V HA -0.248 3.875 4.120 0.005 0.000 0.246 739 V C 2.425 178.237 176.094 -0.471 0.000 1.047 739 V CA 1.487 63.551 62.300 -0.393 0.000 1.035 739 V CB -0.349 31.257 31.823 -0.362 0.000 0.658 739 V HN 0.409 nan 8.190 nan 0.000 0.452 740 M N 0.340 119.615 119.600 -0.542 0.000 2.267 740 M HA -0.104 4.379 4.480 0.005 0.000 0.263 740 M C 1.331 177.414 176.300 -0.363 0.000 1.063 740 M CA 1.387 56.414 55.300 -0.457 0.000 1.090 740 M CB -1.251 31.097 32.600 -0.419 0.000 1.392 740 M HN 0.388 nan 8.290 nan 0.000 0.422 741 N N 0.206 118.683 118.700 -0.372 0.000 2.235 741 N HA 0.188 4.931 4.740 0.005 0.000 0.209 741 N C 1.563 176.759 175.510 -0.522 0.000 1.122 741 N CA 0.087 52.905 53.050 -0.387 0.000 0.845 741 N CB 0.136 38.425 38.487 -0.329 0.000 1.004 741 N HN 0.351 nan 8.380 nan 0.000 0.499 742 L N 0.731 121.586 121.223 -0.613 0.000 2.127 742 L HA -0.187 4.156 4.340 0.005 0.000 0.211 742 L C 1.251 177.328 176.870 -1.322 0.000 1.089 742 L CA 1.364 55.615 54.840 -0.981 0.000 0.757 742 L CB -0.141 41.209 42.059 -1.180 0.000 0.899 742 L HN 0.143 nan 8.230 nan 0.000 0.434 743 D N -1.817 118.072 120.400 -0.852 0.000 2.368 743 D HA -0.053 4.590 4.640 0.005 0.000 0.218 743 D C 0.766 176.797 176.300 -0.448 0.000 1.112 743 D CA -0.113 53.617 54.000 -0.449 0.000 0.834 743 D CB -0.041 40.779 40.800 0.034 0.000 0.953 743 D HN -0.003 nan 8.370 nan 0.000 0.505 744 R N 0.899 121.024 120.500 -0.625 0.000 4.556 744 R HA 0.168 4.511 4.340 0.005 0.000 0.197 744 R C 0.096 176.135 176.300 -0.437 0.000 1.791 744 R CA -0.292 55.557 56.100 -0.419 0.000 1.526 744 R CB -1.280 28.806 30.300 -0.356 0.000 1.410 744 R HN 0.257 nan 8.270 nan 0.000 0.826 745 F N 0.824 120.711 119.950 -0.104 0.000 2.502 745 F HA -0.136 4.393 4.527 0.004 0.000 0.298 745 F C 2.071 177.825 175.800 -0.077 0.000 1.111 745 F CA 0.872 58.826 58.000 -0.077 0.000 1.445 745 F CB 0.064 39.034 39.000 -0.049 0.000 1.081 745 F HN 0.282 nan 8.300 nan 0.000 0.558 746 D N 0.736 121.158 120.400 0.036 0.000 2.309 746 D HA -0.168 4.475 4.640 0.005 0.000 0.212 746 D C 1.550 177.821 176.300 -0.048 0.000 0.968 746 D CA 1.158 55.149 54.000 -0.014 0.000 0.882 746 D CB -0.425 40.349 40.800 -0.043 0.000 0.918 746 D HN 0.358 nan 8.370 nan 0.000 0.503 747 L N -0.336 120.836 121.223 -0.084 0.000 2.638 747 L HA 0.360 4.703 4.340 0.005 0.000 0.232 747 L C 1.544 178.367 176.870 -0.077 0.000 1.099 747 L CA -0.281 54.501 54.840 -0.097 0.000 0.883 747 L CB 0.047 42.020 42.059 -0.144 0.000 1.136 747 L HN -0.054 nan 8.230 nan 0.000 0.492 748 A N 0.000 122.786 122.820 -0.056 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 748 A CB 0.000 19.047 19.000 0.078 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486