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 3n3r_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAXHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPADVYWGS 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 0.000 175.474 175.510 -0.060 0.000 1.280 35 N CA 0.000 53.020 53.050 -0.050 0.000 0.885 35 N CB 0.000 38.458 38.487 -0.048 0.000 1.341 36 G N 0.575 109.348 108.800 -0.044 0.000 2.340 36 G HA2 0.449 4.411 3.960 0.004 0.000 0.245 36 G HA3 0.449 4.411 3.960 0.004 0.000 0.245 36 G C 0.468 175.321 174.900 -0.079 0.000 1.294 36 G CA 0.918 45.994 45.100 -0.040 0.000 0.896 36 G HN 1.000 nan 8.290 nan 0.000 0.522 37 T N 1.319 115.808 114.554 -0.109 0.000 2.919 37 T HA 0.418 4.770 4.350 0.004 0.000 0.302 37 T C 0.902 175.502 174.700 -0.166 0.000 1.031 37 T CA 0.170 62.114 62.100 -0.260 0.000 1.127 37 T CB 0.984 69.591 68.868 -0.436 0.000 0.952 37 T HN 0.856 nan 8.240 nan 0.000 0.540 38 S N 2.016 117.573 115.700 -0.238 0.000 2.677 38 S HA 0.414 4.887 4.470 0.004 0.000 0.304 38 S C 0.966 175.553 174.600 -0.020 0.000 1.108 38 S CA -1.013 57.156 58.200 -0.052 0.000 0.944 38 S CB 1.221 64.402 63.200 -0.032 0.000 1.127 38 S HN 0.471 nan 8.310 nan 0.000 0.511 39 N N 0.820 119.635 118.700 0.193 0.000 2.149 39 N HA -0.089 4.653 4.740 0.004 0.000 0.188 39 N C 1.587 177.248 175.510 0.252 0.000 1.019 39 N CA 1.083 54.366 53.050 0.388 0.000 0.857 39 N CB -0.641 38.120 38.487 0.456 0.000 0.997 39 N HN 0.636 nan 8.380 nan 0.000 0.426 40 R N 1.071 121.641 120.500 0.116 0.000 2.120 40 R HA -0.047 4.295 4.340 0.004 0.000 0.234 40 R C 1.118 177.385 176.300 -0.054 0.000 1.123 40 R CA 1.158 57.296 56.100 0.063 0.000 0.975 40 R CB -0.081 30.242 30.300 0.038 0.000 0.866 40 R HN 0.192 nan 8.270 nan 0.000 0.446 41 D N -1.219 119.061 120.400 -0.201 0.000 2.117 41 D HA -0.173 4.469 4.640 0.004 0.000 0.198 41 D C 1.626 177.660 176.300 -0.443 0.000 0.982 41 D CA 1.198 54.978 54.000 -0.366 0.000 0.828 41 D CB -0.336 40.111 40.800 -0.588 0.000 0.967 41 D HN 0.346 nan 8.370 nan 0.000 0.464 42 W N -0.337 120.679 121.300 -0.474 0.000 2.418 42 W HA -0.037 4.626 4.660 0.004 0.000 0.292 42 W C 0.618 176.495 176.519 -1.070 0.000 1.213 42 W CA -0.007 56.751 57.345 -0.978 0.000 1.283 42 W CB 0.177 28.456 29.460 -1.968 0.000 1.119 42 W HN -0.073 nan 8.180 nan 0.000 0.542 43 W N 0.989 122.418 121.300 0.216 0.000 2.423 43 W HA 0.244 4.906 4.660 0.004 0.000 0.286 43 W C -2.145 174.418 176.519 0.074 0.000 1.001 43 W CA -1.787 55.632 57.345 0.124 0.000 1.643 43 W CB 0.045 29.564 29.460 0.098 0.000 1.593 43 W HN -0.182 nan 8.180 nan 0.000 0.403 44 P HA -0.016 nan 4.420 nan 0.000 0.245 44 P C 0.756 178.117 177.300 0.101 0.000 1.206 44 P CA 0.870 64.023 63.100 0.089 0.000 0.781 44 P CB 0.566 32.281 31.700 0.025 0.000 0.994 45 N N -0.958 117.820 118.700 0.130 0.000 2.236 45 N HA 0.027 4.770 4.740 0.004 0.000 0.196 45 N C 0.790 176.365 175.510 0.109 0.000 1.114 45 N CA 0.221 53.331 53.050 0.099 0.000 0.859 45 N CB -0.080 38.458 38.487 0.084 0.000 0.982 45 N HN 0.118 nan 8.380 nan 0.000 0.493 46 Q N 1.232 121.129 119.800 0.162 0.000 2.361 46 Q HA 0.067 4.410 4.340 0.004 0.000 0.276 46 Q C -0.124 175.956 176.000 0.133 0.000 1.022 46 Q CA -0.313 55.577 55.803 0.145 0.000 0.898 46 Q CB 0.630 29.460 28.738 0.152 0.000 1.246 46 Q HN 0.198 nan 8.270 nan 0.000 0.410 47 L N 2.618 123.920 121.223 0.132 0.000 2.485 47 L HA 0.005 4.348 4.340 0.004 0.000 0.275 47 L C -0.240 176.670 176.870 0.067 0.000 1.207 47 L CA 0.588 55.457 54.840 0.049 0.000 0.855 47 L CB 0.437 42.472 42.059 -0.041 0.000 1.114 47 L HN 0.487 nan 8.230 nan 0.000 0.485 48 D N 3.945 124.351 120.400 0.009 0.000 2.467 48 D HA 0.191 4.833 4.640 0.004 0.000 0.220 48 D C 0.779 177.059 176.300 -0.034 0.000 1.103 48 D CA -0.044 53.967 54.000 0.019 0.000 0.886 48 D CB 0.425 41.241 40.800 0.026 0.000 1.025 48 D HN 0.604 nan 8.370 nan 0.000 0.514 49 L N 2.063 123.269 121.223 -0.028 0.000 2.478 49 L HA -0.013 4.330 4.340 0.004 0.000 0.223 49 L C 2.058 178.873 176.870 -0.092 0.000 1.140 49 L CA 0.119 54.914 54.840 -0.075 0.000 0.842 49 L CB -0.120 41.932 42.059 -0.013 0.000 0.953 49 L HN 0.296 nan 8.230 nan 0.000 0.452 50 S N 0.991 116.691 115.700 0.000 0.000 2.419 50 S HA -0.175 4.297 4.470 0.004 0.000 0.235 50 S C 1.977 176.531 174.600 -0.077 0.000 1.019 50 S CA 1.515 59.724 58.200 0.015 0.000 0.982 50 S CB -0.334 62.891 63.200 0.042 0.000 0.789 50 S HN 0.585 nan 8.310 nan 0.000 0.490 51 I N -0.540 119.976 120.570 -0.089 0.000 2.423 51 I HA -0.121 4.051 4.170 0.004 0.000 0.254 51 I C 1.412 177.451 176.117 -0.130 0.000 1.151 51 I CA 1.497 62.745 61.300 -0.086 0.000 1.421 51 I CB -0.430 37.537 38.000 -0.055 0.000 1.079 51 I HN 0.184 nan 8.210 nan 0.000 0.431 52 L N 0.147 121.198 121.223 -0.287 0.000 2.599 52 L HA 0.042 4.385 4.340 0.004 0.000 0.230 52 L C 0.966 177.581 176.870 -0.425 0.000 1.141 52 L CA 0.693 55.305 54.840 -0.380 0.000 0.877 52 L CB -0.735 41.035 42.059 -0.481 0.000 1.009 52 L HN 0.407 nan 8.230 nan 0.000 0.447 53 H N -1.882 117.210 119.070 0.037 0.000 2.885 53 H HA 0.258 4.816 4.556 0.004 0.000 0.254 53 H C 0.337 175.662 175.328 -0.005 0.000 1.185 53 H CA -0.648 55.419 56.048 0.032 0.000 1.029 53 H CB 0.597 30.378 29.762 0.030 0.000 1.743 53 H HN -0.011 nan 8.280 nan 0.000 0.632 54 R N 0.884 121.380 120.500 -0.008 0.000 2.707 54 R HA 0.058 4.401 4.340 0.004 0.000 0.270 54 R C 0.164 176.411 176.300 -0.088 0.000 1.083 54 R CA 0.012 55.998 56.100 -0.190 0.000 1.182 54 R CB 0.169 30.213 30.300 -0.426 0.000 1.084 54 R HN 0.591 nan 8.270 nan 0.000 0.528 55 H N -2.341 116.767 119.070 0.062 0.000 2.862 55 H HA -0.149 4.410 4.556 0.004 0.000 0.290 55 H C 0.237 175.629 175.328 0.107 0.000 1.211 55 H CA 0.625 56.728 56.048 0.091 0.000 1.140 55 H CB -2.047 27.764 29.762 0.080 0.000 1.341 55 H HN 0.648 nan 8.280 nan 0.000 0.392 56 S N -0.460 115.320 115.700 0.133 0.000 2.634 56 S HA 0.292 4.764 4.470 0.004 0.000 0.261 56 S C 1.806 176.470 174.600 0.107 0.000 1.271 56 S CA -0.095 58.175 58.200 0.117 0.000 0.985 56 S CB 1.757 65.006 63.200 0.082 0.000 0.968 56 S HN 0.402 nan 8.310 nan 0.000 0.568 57 S N 0.636 116.387 115.700 0.084 0.000 2.419 57 S HA -0.091 4.381 4.470 0.004 0.000 0.233 57 S C 1.783 176.403 174.600 0.033 0.000 1.016 57 S CA 0.934 59.173 58.200 0.065 0.000 0.974 57 S CB -1.056 62.176 63.200 0.052 0.000 0.786 57 S HN 0.647 nan 8.310 nan 0.000 0.492 58 L N 2.110 123.351 121.223 0.029 0.000 2.017 58 L HA -0.087 4.256 4.340 0.004 0.000 0.208 58 L C 2.968 179.834 176.870 -0.006 0.000 1.073 58 L CA 1.657 56.502 54.840 0.007 0.000 0.745 58 L CB -0.983 41.082 42.059 0.010 0.000 0.894 58 L HN 0.572 nan 8.230 nan 0.000 0.432 59 S N -2.228 113.481 115.700 0.015 0.000 2.562 59 S HA -0.041 4.432 4.470 0.004 0.000 0.221 59 S C 0.594 175.179 174.600 -0.025 0.000 0.975 59 S CA -0.205 58.003 58.200 0.012 0.000 0.918 59 S CB -0.321 62.903 63.200 0.039 0.000 0.772 59 S HN 0.291 nan 8.310 nan 0.000 0.531 60 D N 2.874 123.236 120.400 -0.063 0.000 2.280 60 D HA 0.298 4.941 4.640 0.004 0.000 0.243 60 D C -1.527 174.536 176.300 -0.394 0.000 1.129 60 D CA -2.298 51.541 54.000 -0.269 0.000 0.848 60 D CB 1.795 42.579 40.800 -0.027 0.000 1.107 60 D HN 0.041 nan 8.370 nan 0.000 0.471 61 P HA 0.005 nan 4.420 nan 0.000 0.236 61 P C 0.383 177.443 177.300 -0.399 0.000 1.177 61 P CA 0.195 62.997 63.100 -0.497 0.000 0.773 61 P CB 0.214 31.545 31.700 -0.615 0.000 0.878 62 M N 0.281 119.627 119.600 -0.424 0.000 2.241 62 M HA 0.340 4.822 4.480 0.004 0.000 0.335 62 M C 1.246 177.505 176.300 -0.068 0.000 1.122 62 M CA -0.815 54.324 55.300 -0.269 0.000 1.164 62 M CB -0.276 32.155 32.600 -0.282 0.000 1.459 62 M HN -0.185 nan 8.290 nan 0.000 0.461 63 G N 1.256 110.056 108.800 -0.001 0.000 2.636 63 G HA2 0.166 4.128 3.960 0.004 0.000 0.246 63 G HA3 0.166 4.128 3.960 0.004 0.000 0.246 63 G C 0.611 175.588 174.900 0.129 0.000 1.216 63 G CA -0.431 44.705 45.100 0.060 0.000 0.854 63 G HN 0.775 nan 8.290 nan 0.000 0.572 64 K N -0.461 119.997 120.400 0.096 0.000 2.280 64 K HA -0.027 4.296 4.320 0.004 0.000 0.202 64 K C 1.213 177.889 176.600 0.127 0.000 1.047 64 K CA 1.191 57.540 56.287 0.104 0.000 0.942 64 K CB 0.262 32.804 32.500 0.071 0.000 0.739 64 K HN 0.359 nan 8.250 nan 0.000 0.457 65 D N -0.663 119.817 120.400 0.132 0.000 2.340 65 D HA -0.013 4.630 4.640 0.004 0.000 0.217 65 D C -0.318 176.082 176.300 0.167 0.000 1.081 65 D CA -0.156 53.916 54.000 0.121 0.000 0.842 65 D CB -0.065 40.788 40.800 0.088 0.000 0.934 65 D HN 0.022 nan 8.370 nan 0.000 0.511 66 F N 2.410 122.409 119.950 0.082 0.000 2.607 66 F HA 0.069 4.599 4.527 0.004 0.000 0.374 66 F C 0.506 176.388 175.800 0.137 0.000 1.104 66 F CA -0.035 58.032 58.000 0.112 0.000 1.296 66 F CB 0.394 39.472 39.000 0.130 0.000 1.085 66 F HN -0.232 nan 8.300 nan 0.000 0.584 67 N N 5.844 124.131 118.700 -0.688 0.000 2.531 67 N HA 0.014 4.756 4.740 0.004 0.000 0.268 67 N C 0.164 175.183 175.510 -0.817 0.000 1.023 67 N CA -0.461 52.286 53.050 -0.504 0.000 0.896 67 N CB 0.434 38.788 38.487 -0.222 0.000 1.233 67 N HN 0.766 nan 8.380 nan 0.000 0.512 68 Y N 4.436 124.247 120.300 -0.815 0.000 2.224 68 Y HA -0.072 4.481 4.550 0.004 0.000 0.289 68 Y C 1.970 177.802 175.900 -0.114 0.000 1.146 68 Y CA 2.241 60.091 58.100 -0.416 0.000 1.182 68 Y CB -0.172 38.281 38.460 -0.011 0.000 0.983 68 Y HN 0.662 nan 8.280 nan 0.000 0.524 69 A N 0.095 122.766 122.820 -0.249 0.000 1.940 69 A HA -0.258 4.065 4.320 0.004 0.000 0.219 69 A C 2.139 179.618 177.584 -0.176 0.000 1.176 69 A CA 1.938 53.836 52.037 -0.231 0.000 0.631 69 A CB -0.711 18.241 19.000 -0.080 0.000 0.814 69 A HN 0.662 nan 8.150 nan 0.000 0.446 70 Q N -0.772 118.928 119.800 -0.167 0.000 2.124 70 Q HA -0.086 4.257 4.340 0.004 0.000 0.202 70 Q C 2.436 178.380 176.000 -0.095 0.000 0.977 70 Q CA 1.301 57.040 55.803 -0.107 0.000 0.850 70 Q CB -0.373 28.311 28.738 -0.090 0.000 0.901 70 Q HN 0.701 nan 8.270 nan 0.000 0.429 71 A N 0.487 123.233 122.820 -0.124 0.000 1.877 71 A HA -0.198 4.125 4.320 0.004 0.000 0.216 71 A C 1.853 179.402 177.584 -0.059 0.000 1.186 71 A CA 1.179 53.213 52.037 -0.005 0.000 0.620 71 A CB -0.793 18.331 19.000 0.208 0.000 0.822 71 A HN 0.474 nan 8.150 nan 0.000 0.443 72 F N 0.763 120.488 119.950 -0.374 0.000 2.186 72 F HA -0.105 4.425 4.527 0.004 0.000 0.299 72 F C 2.110 177.816 175.800 -0.157 0.000 1.090 72 F CA 1.852 59.653 58.000 -0.332 0.000 1.307 72 F CB 0.041 38.661 39.000 -0.633 0.000 1.019 72 F HN 0.197 nan 8.300 nan 0.000 0.489 73 E N 0.449 120.583 120.200 -0.109 0.000 2.347 73 E HA -0.127 4.225 4.350 0.004 0.000 0.196 73 E C 1.603 178.103 176.600 -0.167 0.000 1.008 73 E CA 0.792 57.123 56.400 -0.115 0.000 0.852 73 E CB -0.170 29.521 29.700 -0.014 0.000 0.783 73 E HN 0.523 nan 8.360 nan 0.000 0.505 74 K N 0.370 120.682 120.400 -0.147 0.000 2.374 74 K HA 0.086 4.409 4.320 0.004 0.000 0.196 74 K C 0.604 177.121 176.600 -0.138 0.000 1.023 74 K CA -0.363 55.857 56.287 -0.112 0.000 1.103 74 K CB 0.318 32.788 32.500 -0.050 0.000 0.848 74 K HN -0.046 nan 8.250 nan 0.000 0.528 75 L N 2.128 123.202 121.223 -0.248 0.000 2.485 75 L HA -0.001 4.341 4.340 0.004 0.000 0.275 75 L C 0.052 176.783 176.870 -0.232 0.000 1.207 75 L CA 0.469 55.166 54.840 -0.238 0.000 0.855 75 L CB 0.482 42.272 42.059 -0.448 0.000 1.114 75 L HN -0.025 nan 8.230 nan 0.000 0.485 76 D N 3.908 124.229 120.400 -0.131 0.000 2.517 76 D HA 0.009 4.651 4.640 0.004 0.000 0.220 76 D C 0.952 177.135 176.300 -0.195 0.000 1.158 76 D CA -0.146 53.788 54.000 -0.109 0.000 0.992 76 D CB 0.279 41.075 40.800 -0.007 0.000 1.058 76 D HN 0.611 nan 8.370 nan 0.000 0.516 77 L N 4.004 125.096 121.223 -0.219 0.000 2.083 77 L HA -0.046 4.296 4.340 0.004 0.000 0.209 77 L C 2.025 178.799 176.870 -0.161 0.000 1.083 77 L CA 1.984 56.691 54.840 -0.221 0.000 0.752 77 L CB -0.504 41.467 42.059 -0.146 0.000 0.899 77 L HN 0.368 nan 8.230 nan 0.000 0.433 78 A N -0.649 122.108 122.820 -0.104 0.000 1.930 78 A HA -0.033 4.289 4.320 0.004 0.000 0.217 78 A C 2.452 180.000 177.584 -0.060 0.000 1.175 78 A CA 1.525 53.523 52.037 -0.064 0.000 0.627 78 A CB -1.028 17.947 19.000 -0.042 0.000 0.815 78 A HN 0.543 nan 8.150 nan 0.000 0.443 79 A N -0.360 122.425 122.820 -0.059 0.000 1.877 79 A HA -0.021 4.302 4.320 0.004 0.000 0.216 79 A C 2.213 179.766 177.584 -0.052 0.000 1.186 79 A CA 1.818 53.858 52.037 0.005 0.000 0.620 79 A CB -1.004 18.060 19.000 0.107 0.000 0.822 79 A HN 0.405 nan 8.150 nan 0.000 0.443 80 V N 0.331 120.054 119.914 -0.320 0.000 2.287 80 V HA -0.316 3.806 4.120 0.004 0.000 0.248 80 V C 2.435 178.413 176.094 -0.193 0.000 1.053 80 V CA 2.448 64.460 62.300 -0.481 0.000 1.027 80 V CB -0.764 30.650 31.823 -0.682 0.000 0.646 80 V HN 0.558 nan 8.190 nan 0.000 0.447 81 K N -0.233 120.083 120.400 -0.139 0.000 2.097 81 K HA -0.139 4.183 4.320 0.004 0.000 0.206 81 K C 2.376 179.034 176.600 0.098 0.000 1.049 81 K CA 1.280 57.543 56.287 -0.040 0.000 0.933 81 K CB -0.249 32.249 32.500 -0.003 0.000 0.717 81 K HN 0.425 nan 8.250 nan 0.000 0.442 82 R N 0.854 121.394 120.500 0.067 0.000 2.096 82 R HA -0.114 4.229 4.340 0.004 0.000 0.235 82 R C 1.725 178.084 176.300 0.097 0.000 1.127 82 R CA 1.391 57.546 56.100 0.093 0.000 0.968 82 R CB -0.184 30.139 30.300 0.039 0.000 0.861 82 R HN 0.210 nan 8.270 nan 0.000 0.440 83 D N 0.747 121.188 120.400 0.069 0.000 2.144 83 D HA -0.102 4.540 4.640 0.004 0.000 0.200 83 D C 1.989 178.313 176.300 0.040 0.000 0.978 83 D CA 0.951 54.995 54.000 0.073 0.000 0.833 83 D CB -0.054 40.819 40.800 0.123 0.000 0.961 83 D HN 0.171 nan 8.370 nan 0.000 0.470 84 L N 0.284 121.496 121.223 -0.019 0.000 2.056 84 L HA -0.159 4.183 4.340 0.004 0.000 0.207 84 L C 2.528 179.358 176.870 -0.067 0.000 1.078 84 L CA 0.965 55.746 54.840 -0.099 0.000 0.749 84 L CB -0.412 41.520 42.059 -0.212 0.000 0.901 84 L HN 0.171 nan 8.230 nan 0.000 0.433 85 H N -0.261 118.796 119.070 -0.021 0.000 2.352 85 H HA -0.135 4.423 4.556 0.004 0.000 0.299 85 H C 2.246 177.578 175.328 0.007 0.000 1.097 85 H CA 1.636 57.685 56.048 0.002 0.000 1.311 85 H CB 0.056 29.819 29.762 0.002 0.000 1.377 85 H HN 0.367 nan 8.280 nan 0.000 0.504 86 A N 0.975 123.879 122.820 0.142 0.000 1.972 86 A HA -0.123 4.200 4.320 0.004 0.000 0.219 86 A C 2.482 180.116 177.584 0.083 0.000 1.169 86 A CA 1.111 53.202 52.037 0.089 0.000 0.635 86 A CB -0.648 18.395 19.000 0.072 0.000 0.810 86 A HN 0.308 nan 8.150 nan 0.000 0.446 87 L N -0.843 120.437 121.223 0.095 0.000 2.131 87 L HA -0.123 4.220 4.340 0.004 0.000 0.210 87 L C 2.184 179.194 176.870 0.235 0.000 1.092 87 L CA 1.701 56.636 54.840 0.158 0.000 0.759 87 L CB -0.481 41.660 42.059 0.136 0.000 0.903 87 L HN 0.288 nan 8.230 nan 0.000 0.435 88 M N -0.489 119.192 119.600 0.136 0.000 2.195 88 M HA -0.129 4.354 4.480 0.004 0.000 0.260 88 M C 1.641 177.843 176.300 -0.163 0.000 1.066 88 M CA 1.975 57.292 55.300 0.030 0.000 1.089 88 M CB -1.787 30.644 32.600 -0.282 0.000 1.377 88 M HN 0.602 nan 8.290 nan 0.000 0.411 89 T N -3.824 110.654 114.554 -0.127 0.000 3.228 89 T HA 0.189 4.542 4.350 0.004 0.000 0.278 89 T C 0.242 174.909 174.700 -0.056 0.000 1.014 89 T CA -0.324 61.687 62.100 -0.149 0.000 0.904 89 T CB -0.401 68.396 68.868 -0.118 0.000 1.110 89 T HN 0.056 nan 8.240 nan 0.000 0.541 90 T N 2.563 117.145 114.554 0.047 0.000 3.151 90 T HA 0.412 4.765 4.350 0.004 0.000 0.332 90 T C 0.126 174.905 174.700 0.132 0.000 1.245 90 T CA -0.268 61.881 62.100 0.082 0.000 1.019 90 T CB 0.563 69.500 68.868 0.115 0.000 1.109 90 T HN 0.385 nan 8.240 nan 0.000 0.621 91 S N 3.502 119.196 115.700 -0.011 0.000 2.549 91 S HA 0.183 4.655 4.470 0.004 0.000 0.279 91 S C 0.023 174.631 174.600 0.013 0.000 1.321 91 S CA -0.600 57.568 58.200 -0.053 0.000 1.054 91 S CB 0.332 63.425 63.200 -0.179 0.000 0.899 91 S HN 0.440 nan 8.310 nan 0.000 0.497 92 Q N 2.933 122.724 119.800 -0.016 0.000 2.256 92 Q HA 0.256 4.598 4.340 0.004 0.000 0.257 92 Q C 0.180 175.997 176.000 -0.306 0.000 0.936 92 Q CA -0.605 55.041 55.803 -0.262 0.000 0.903 92 Q CB 1.485 29.725 28.738 -0.829 0.000 1.263 92 Q HN 0.686 nan 8.270 nan 0.000 0.440 93 D N 1.421 121.736 120.400 -0.142 0.000 2.310 93 D HA -0.117 4.526 4.640 0.004 0.000 0.212 93 D C 1.473 177.794 176.300 0.034 0.000 0.965 93 D CA 0.721 54.697 54.000 -0.040 0.000 0.879 93 D CB 0.171 41.003 40.800 0.053 0.000 0.921 93 D HN 0.686 nan 8.370 nan 0.000 0.510 94 W N -1.490 119.908 121.300 0.164 0.000 2.937 94 W HA 0.076 4.739 4.660 0.004 0.000 0.245 94 W C 0.274 177.014 176.519 0.367 0.000 1.306 94 W CA -0.309 57.157 57.345 0.201 0.000 1.470 94 W CB -0.393 29.171 29.460 0.174 0.000 1.132 94 W HN -0.059 nan 8.180 nan 0.000 0.675 95 W N 3.046 124.191 121.300 -0.258 0.000 1.896 95 W HA 0.248 4.910 4.660 0.004 0.000 0.302 95 W C -3.043 173.434 176.519 -0.071 0.000 1.016 95 W CA -1.751 55.523 57.345 -0.119 0.000 1.200 95 W CB 0.739 30.131 29.460 -0.114 0.000 1.226 95 W HN -0.366 nan 8.180 nan 0.000 0.308 96 P HA 0.085 nan 4.420 nan 0.000 0.269 96 P C -0.155 177.086 177.300 -0.098 0.000 1.209 96 P CA 0.510 63.533 63.100 -0.129 0.000 0.776 96 P CB 0.931 32.572 31.700 -0.097 0.000 0.876 97 A N 2.908 125.548 122.820 -0.301 0.000 2.404 97 A HA 0.151 4.473 4.320 0.004 0.000 0.273 97 A C 0.007 177.372 177.584 -0.366 0.000 1.144 97 A CA -0.277 51.405 52.037 -0.591 0.000 0.806 97 A CB -0.441 17.843 19.000 -1.193 0.000 1.080 97 A HN 0.437 nan 8.150 nan 0.000 0.509 98 D N 1.916 122.164 120.400 -0.253 0.000 2.533 98 D HA 0.137 4.780 4.640 0.004 0.000 0.236 98 D C 0.426 176.453 176.300 -0.455 0.000 1.137 98 D CA 0.881 54.526 54.000 -0.593 0.000 0.867 98 D CB -0.301 40.388 40.800 -0.185 0.000 1.170 98 D HN 0.507 nan 8.370 nan 0.000 0.474 99 F N 0.414 120.005 119.950 -0.599 0.000 3.048 99 F HA -0.263 4.267 4.527 0.004 0.000 0.287 99 F C 1.606 177.276 175.800 -0.218 0.000 0.796 99 F CA 0.533 58.338 58.000 -0.324 0.000 1.111 99 F CB -1.984 36.927 39.000 -0.149 0.000 1.320 99 F HN 0.630 nan 8.300 nan 0.000 0.430 100 G N -0.756 107.926 108.800 -0.197 0.000 2.166 100 G HA2 -0.328 3.634 3.960 0.004 0.000 0.260 100 G HA3 -0.328 3.634 3.960 0.004 0.000 0.260 100 G C -0.116 174.721 174.900 -0.106 0.000 0.986 100 G CA 0.507 45.514 45.100 -0.155 0.000 0.683 100 G HN 0.973 nan 8.290 nan 0.000 0.527 101 H N -1.606 117.368 119.070 -0.160 0.000 2.934 101 H HA 0.400 4.959 4.556 0.004 0.000 0.340 101 H C -0.017 175.281 175.328 -0.050 0.000 1.008 101 H CA -0.882 55.123 56.048 -0.070 0.000 1.317 101 H CB 0.816 30.610 29.762 0.053 0.000 1.670 101 H HN 0.026 nan 8.280 nan 0.000 0.516 102 Y N 2.890 123.285 120.300 0.158 0.000 2.553 102 Y HA 0.045 4.597 4.550 0.004 0.000 0.303 102 Y C 2.209 178.199 175.900 0.151 0.000 1.194 102 Y CA 0.842 58.950 58.100 0.013 0.000 1.305 102 Y CB -0.047 38.251 38.460 -0.269 0.000 1.045 102 Y HN 0.807 nan 8.280 nan 0.000 0.514 103 G N 0.068 109.275 108.800 0.679 0.000 2.446 103 G HA2 -0.271 3.691 3.960 0.004 0.000 0.217 103 G HA3 -0.271 3.691 3.960 0.004 0.000 0.217 103 G C 2.072 177.100 174.900 0.214 0.000 1.168 103 G CA 0.971 46.330 45.100 0.431 0.000 0.771 103 G HN 0.504 nan 8.290 nan 0.000 0.551 104 G N 0.738 109.664 108.800 0.210 0.000 2.421 104 G HA2 -0.152 3.811 3.960 0.004 0.000 0.216 104 G HA3 -0.152 3.811 3.960 0.004 0.000 0.216 104 G C 1.766 176.799 174.900 0.222 0.000 1.171 104 G CA 1.066 46.306 45.100 0.233 0.000 0.775 104 G HN 0.420 nan 8.290 nan 0.000 0.543 105 L N -0.382 120.951 121.223 0.184 0.000 2.042 105 L HA 0.084 4.427 4.340 0.004 0.000 0.210 105 L C 2.428 179.343 176.870 0.074 0.000 1.076 105 L CA 1.584 56.474 54.840 0.085 0.000 0.749 105 L CB -0.564 41.484 42.059 -0.019 0.000 0.893 105 L HN 0.168 nan 8.230 nan 0.000 0.432 106 F N -0.681 119.363 119.950 0.156 0.000 2.325 106 F HA -0.053 4.476 4.527 0.004 0.000 0.299 106 F C 2.322 178.190 175.800 0.114 0.000 1.090 106 F CA 0.893 58.958 58.000 0.109 0.000 1.392 106 F CB -0.643 38.414 39.000 0.096 0.000 1.053 106 F HN 0.044 nan 8.300 nan 0.000 0.521 107 I N -0.423 120.306 120.570 0.266 0.000 2.252 107 I HA -0.260 3.913 4.170 0.004 0.000 0.245 107 I C 2.700 178.998 176.117 0.301 0.000 1.102 107 I CA 1.053 62.469 61.300 0.193 0.000 1.385 107 I CB -0.359 37.618 38.000 -0.039 0.000 1.064 107 I HN 0.011 nan 8.210 nan 0.000 0.414 108 R N 1.101 121.736 120.500 0.225 0.000 2.091 108 R HA -0.226 4.117 4.340 0.004 0.000 0.238 108 R C 2.411 178.744 176.300 0.056 0.000 1.136 108 R CA 1.645 57.833 56.100 0.146 0.000 0.959 108 R CB -0.250 30.073 30.300 0.039 0.000 0.856 108 R HN 0.296 nan 8.270 nan 0.000 0.437 109 M N 0.517 120.177 119.600 0.101 0.000 2.117 109 M HA -0.065 4.417 4.480 0.004 0.000 0.262 109 M C 0.837 177.233 176.300 0.160 0.000 1.065 109 M CA 1.626 56.986 55.300 0.099 0.000 1.114 109 M CB -0.157 32.568 32.600 0.209 0.000 1.361 109 M HN 0.246 nan 8.290 nan 0.000 0.408 113 S N 1.141 116.867 115.700 0.045 0.000 2.356 113 S HA -0.080 4.392 4.470 0.004 0.000 0.223 113 S C 2.156 176.694 174.600 -0.103 0.000 1.032 113 S CA 1.402 59.566 58.200 -0.060 0.000 1.005 113 S CB -0.108 63.060 63.200 -0.052 0.000 0.867 113 S HN 0.462 nan 8.310 nan 0.000 0.449 114 A N 0.220 122.967 122.820 -0.121 0.000 2.067 114 A HA 0.292 4.614 4.320 0.004 0.000 0.217 114 A C 2.123 179.647 177.584 -0.100 0.000 1.156 114 A CA 1.229 53.164 52.037 -0.170 0.000 0.683 114 A CB -1.044 17.787 19.000 -0.282 0.000 0.808 114 A HN 0.606 nan 8.150 nan 0.000 0.455 115 G N -0.474 108.260 108.800 -0.110 0.000 2.744 115 G HA2 0.021 3.983 3.960 0.004 0.000 0.211 115 G HA3 0.021 3.983 3.960 0.004 0.000 0.211 115 G C 1.305 176.030 174.900 -0.292 0.000 1.143 115 G CA 1.403 46.372 45.100 -0.218 0.000 0.788 115 G HN 0.618 nan 8.290 nan 0.000 0.534 116 T N -2.918 111.571 114.554 -0.108 0.000 3.129 116 T HA 0.143 4.496 4.350 0.004 0.000 0.251 116 T C 0.786 175.614 174.700 0.212 0.000 1.117 116 T CA -0.625 61.490 62.100 0.024 0.000 1.034 116 T CB -0.257 68.601 68.868 -0.015 0.000 0.968 116 T HN 0.158 nan 8.240 nan 0.000 0.526 117 Y N 3.170 123.484 120.300 0.022 0.000 2.597 117 Y HA 0.391 4.943 4.550 0.003 0.000 0.336 117 Y C 0.075 176.012 175.900 0.061 0.000 1.216 117 Y CA -0.755 57.362 58.100 0.029 0.000 1.463 117 Y CB 0.404 38.841 38.460 -0.038 0.000 1.303 117 Y HN 0.059 nan 8.280 nan 0.000 0.576 118 R N 3.024 123.144 120.500 -0.633 0.000 2.561 118 R HA 0.224 4.567 4.340 0.004 0.000 0.297 118 R C 0.707 176.485 176.300 -0.869 0.000 0.969 118 R CA -0.437 55.356 56.100 -0.511 0.000 0.879 118 R CB 1.575 31.730 30.300 -0.242 0.000 1.178 118 R HN 0.731 nan 8.270 nan 0.000 0.445 119 T N 1.091 115.291 114.554 -0.590 0.000 2.995 119 T HA -0.065 4.287 4.350 0.004 0.000 0.269 119 T C 1.740 176.312 174.700 -0.213 0.000 1.091 119 T CA 1.700 63.577 62.100 -0.371 0.000 1.128 119 T CB 0.009 68.823 68.868 -0.089 0.000 0.891 119 T HN 0.662 nan 8.240 nan 0.000 0.492 120 A N 1.959 124.667 122.820 -0.187 0.000 1.908 120 A HA -0.117 4.206 4.320 0.004 0.000 0.218 120 A C 1.889 179.389 177.584 -0.140 0.000 1.181 120 A CA 2.215 54.175 52.037 -0.129 0.000 0.627 120 A CB -0.365 18.572 19.000 -0.104 0.000 0.818 120 A HN 0.739 nan 8.150 nan 0.000 0.445 121 D N -4.405 115.889 120.400 -0.177 0.000 2.500 121 D HA 0.305 4.948 4.640 0.004 0.000 0.218 121 D C 1.114 177.321 176.300 -0.154 0.000 1.140 121 D CA 0.943 54.852 54.000 -0.152 0.000 0.830 121 D CB -0.487 40.227 40.800 -0.144 0.000 1.055 121 D HN 0.883 nan 8.370 nan 0.000 0.512 122 G N 0.784 109.451 108.800 -0.221 0.000 2.184 122 G HA2 -0.350 3.612 3.960 0.004 0.000 0.264 122 G HA3 -0.350 3.612 3.960 0.004 0.000 0.264 122 G C 0.420 175.284 174.900 -0.061 0.000 0.975 122 G CA 0.213 45.238 45.100 -0.125 0.000 0.642 122 G HN 0.445 nan 8.290 nan 0.000 0.536 123 R N 0.269 120.679 120.500 -0.150 0.000 2.649 123 R HA 0.512 4.854 4.340 0.004 0.000 0.270 123 R C 1.299 177.593 176.300 -0.009 0.000 1.105 123 R CA 0.565 56.604 56.100 -0.101 0.000 1.193 123 R CB 0.138 30.316 30.300 -0.203 0.000 1.120 123 R HN 1.455 nan 8.270 nan 0.000 0.561 124 G N -0.576 108.263 108.800 0.065 0.000 2.698 124 G HA2 0.115 4.077 3.960 0.004 0.000 0.233 124 G HA3 0.115 4.077 3.960 0.004 0.000 0.233 124 G C 0.172 175.201 174.900 0.216 0.000 1.352 124 G CA -0.289 44.959 45.100 0.247 0.000 0.879 124 G HN 1.174 nan 8.290 nan 0.000 0.567 125 G N -2.600 106.305 108.800 0.176 0.000 2.728 125 G HA2 0.400 4.362 3.960 0.004 0.000 0.294 125 G HA3 0.400 4.362 3.960 0.004 0.000 0.294 125 G C 1.016 175.875 174.900 -0.068 0.000 1.342 125 G CA 1.312 46.433 45.100 0.035 0.000 0.866 125 G HN 2.506 nan 8.290 nan 0.000 0.534 126 A N -0.476 122.246 122.820 -0.163 0.000 2.218 126 A HA 0.524 4.847 4.320 0.004 0.000 0.209 126 A C 2.506 179.987 177.584 -0.172 0.000 1.168 126 A CA 1.672 53.606 52.037 -0.173 0.000 0.804 126 A CB -0.379 18.482 19.000 -0.233 0.000 0.834 126 A HN 2.278 nan 8.150 nan 0.000 0.482 127 G N -0.430 108.265 108.800 -0.176 0.000 2.598 127 G HA2 -0.045 3.917 3.960 0.004 0.000 0.215 127 G HA3 -0.045 3.917 3.960 0.004 0.000 0.215 127 G C 0.999 175.811 174.900 -0.147 0.000 1.131 127 G CA 0.760 45.751 45.100 -0.183 0.000 0.785 127 G HN 0.630 nan 8.290 nan 0.000 0.539 128 E N -0.914 119.213 120.200 -0.121 0.000 2.601 128 E HA 0.260 4.612 4.350 0.004 0.000 0.219 128 E C 1.397 177.928 176.600 -0.114 0.000 0.964 128 E CA 0.062 56.389 56.400 -0.121 0.000 1.050 128 E CB 0.689 30.328 29.700 -0.103 0.000 1.068 128 E HN 0.262 nan 8.360 nan 0.000 0.496 129 G N 2.430 111.160 108.800 -0.118 0.000 2.249 129 G HA2 -0.324 3.639 3.960 0.004 0.000 0.273 129 G HA3 -0.324 3.639 3.960 0.004 0.000 0.273 129 G C 0.835 175.628 174.900 -0.177 0.000 1.036 129 G CA 0.316 45.331 45.100 -0.141 0.000 0.824 129 G HN 0.207 nan 8.290 nan 0.000 0.504 130 Q N -0.854 118.892 119.800 -0.091 0.000 2.472 130 Q HA 0.007 4.349 4.340 0.004 0.000 0.208 130 Q C 2.304 178.206 176.000 -0.164 0.000 0.958 130 Q CA 1.038 56.838 55.803 -0.005 0.000 0.932 130 Q CB 0.062 28.838 28.738 0.063 0.000 1.007 130 Q HN 0.884 nan 8.270 nan 0.000 0.508 131 Q N 1.184 120.834 119.800 -0.250 0.000 2.297 131 Q HA -0.157 4.186 4.340 0.004 0.000 0.208 131 Q C 1.687 177.461 176.000 -0.376 0.000 0.981 131 Q CA 0.958 56.582 55.803 -0.298 0.000 0.876 131 Q CB 0.149 28.748 28.738 -0.232 0.000 0.921 131 Q HN 0.330 nan 8.270 nan 0.000 0.446 132 R N -1.325 118.830 120.500 -0.575 0.000 2.317 132 R HA 0.116 4.459 4.340 0.004 0.000 0.208 132 R C -0.383 175.422 176.300 -0.825 0.000 0.914 132 R CA -0.068 55.559 56.100 -0.789 0.000 1.060 132 R CB 0.225 29.845 30.300 -1.133 0.000 1.015 132 R HN 0.003 nan 8.270 nan 0.000 0.498 133 F N 0.500 120.317 119.950 -0.221 0.000 2.594 133 F HA 0.608 5.137 4.527 0.004 0.000 0.335 133 F C 0.482 176.198 175.800 -0.140 0.000 1.058 133 F CA -1.571 56.338 58.000 -0.151 0.000 0.981 133 F CB 1.233 40.174 39.000 -0.098 0.000 1.289 133 F HN -0.084 nan 8.300 nan 0.000 0.490 134 A N 1.802 124.713 122.820 0.153 0.000 2.407 134 A HA 0.322 4.644 4.320 0.004 0.000 0.248 134 A C -1.782 175.856 177.584 0.091 0.000 1.082 134 A CA -0.971 51.109 52.037 0.072 0.000 0.785 134 A CB -0.232 18.821 19.000 0.089 0.000 1.020 134 A HN 0.565 nan 8.150 nan 0.000 0.489 135 P HA 0.039 nan 4.420 nan 0.000 0.245 135 P C 1.182 178.327 177.300 -0.257 0.000 1.203 135 P CA 0.441 63.575 63.100 0.055 0.000 0.792 135 P CB 0.133 32.026 31.700 0.321 0.000 0.997 136 L N 1.051 121.929 121.223 -0.574 0.000 2.131 136 L HA -0.158 4.184 4.340 0.004 0.000 0.210 136 L C 2.217 178.818 176.870 -0.449 0.000 1.092 136 L CA 1.761 56.021 54.840 -0.966 0.000 0.759 136 L CB -1.235 40.298 42.059 -0.876 0.000 0.903 136 L HN 0.130 nan 8.230 nan 0.000 0.435 137 N N -1.371 117.174 118.700 -0.257 0.000 2.520 137 N HA -0.137 4.606 4.740 0.004 0.000 0.185 137 N C 1.067 176.568 175.510 -0.016 0.000 1.068 137 N CA 1.008 53.968 53.050 -0.151 0.000 0.911 137 N CB -0.211 38.160 38.487 -0.192 0.000 0.961 137 N HN 0.076 nan 8.380 nan 0.000 0.446 138 S N -1.503 114.177 115.700 -0.033 0.000 2.819 138 S HA 0.175 4.648 4.470 0.004 0.000 0.249 138 S C -0.722 173.911 174.600 0.056 0.000 1.030 138 S CA -0.801 57.381 58.200 -0.029 0.000 1.052 138 S CB 0.057 63.146 63.200 -0.186 0.000 1.017 138 S HN 0.239 nan 8.310 nan 0.000 0.576 139 W N 3.168 124.350 121.300 -0.197 0.000 2.193 139 W HA 0.241 4.903 4.660 0.004 0.000 0.338 139 W C -1.971 174.419 176.519 -0.215 0.000 1.310 139 W CA -1.863 55.246 57.345 -0.394 0.000 1.243 139 W CB -0.283 29.025 29.460 -0.253 0.000 1.165 139 W HN 0.101 nan 8.180 nan 0.000 0.566 140 P HA -0.223 nan 4.420 nan 0.000 0.216 140 P C 1.191 178.423 177.300 -0.112 0.000 1.150 140 P CA 1.873 64.908 63.100 -0.108 0.000 0.843 140 P CB 0.317 31.937 31.700 -0.133 0.000 0.787 141 D N -1.717 118.680 120.400 -0.005 0.000 2.350 141 D HA -0.063 4.580 4.640 0.004 0.000 0.216 141 D C 0.736 177.130 176.300 0.157 0.000 0.968 141 D CA 0.723 54.770 54.000 0.077 0.000 0.894 141 D CB -0.564 40.281 40.800 0.074 0.000 0.909 141 D HN 0.028 nan 8.370 nan 0.000 0.520 142 N N -0.012 118.729 118.700 0.068 0.000 2.273 142 N HA 0.189 4.931 4.740 0.004 0.000 0.231 142 N C -0.483 174.764 175.510 -0.438 0.000 1.134 142 N CA -0.117 52.934 53.050 0.002 0.000 0.856 142 N CB 0.523 39.058 38.487 0.080 0.000 1.068 142 N HN -0.010 nan 8.380 nan 0.000 0.510 143 A N 0.837 123.132 122.820 -0.877 0.000 2.511 143 A HA 0.193 4.516 4.320 0.004 0.000 0.242 143 A C 0.977 177.961 177.584 -1.000 0.000 1.069 143 A CA 0.002 50.842 52.037 -1.995 0.000 0.763 143 A CB 0.063 18.079 19.000 -1.640 0.000 1.001 143 A HN 0.459 nan 8.150 nan 0.000 0.498 144 N N -0.091 118.109 118.700 -0.832 0.000 2.900 144 N HA -0.181 4.562 4.740 0.004 0.000 0.240 144 N C 0.704 175.990 175.510 -0.373 0.000 0.953 144 N CA 1.559 54.305 53.050 -0.507 0.000 0.950 144 N CB -1.282 36.891 38.487 -0.523 0.000 1.102 144 N HN 0.674 nan 8.380 nan 0.000 0.593 145 L N 1.215 122.279 121.223 -0.264 0.000 2.465 145 L HA -0.086 4.256 4.340 0.004 0.000 0.224 145 L C 2.079 178.897 176.870 -0.087 0.000 1.145 145 L CA 1.171 55.922 54.840 -0.148 0.000 0.834 145 L CB -0.357 41.634 42.059 -0.113 0.000 0.944 145 L HN 0.221 nan 8.230 nan 0.000 0.451 146 D N 0.258 120.641 120.400 -0.028 0.000 2.178 146 D HA -0.210 4.432 4.640 0.004 0.000 0.201 146 D C 1.649 177.905 176.300 -0.072 0.000 0.980 146 D CA 1.026 55.004 54.000 -0.038 0.000 0.842 146 D CB -0.133 40.689 40.800 0.036 0.000 0.948 146 D HN 0.200 nan 8.370 nan 0.000 0.472 147 K N 1.299 121.597 120.400 -0.170 0.000 2.025 147 K HA 0.039 4.361 4.320 0.004 0.000 0.207 147 K C 2.415 179.010 176.600 -0.007 0.000 1.049 147 K CA 1.264 57.469 56.287 -0.136 0.000 0.933 147 K CB -0.881 31.167 32.500 -0.754 0.000 0.714 147 K HN 0.269 nan 8.250 nan 0.000 0.438 148 A N 2.109 124.877 122.820 -0.086 0.000 1.877 148 A HA -0.183 4.139 4.320 0.004 0.000 0.216 148 A C 2.300 180.051 177.584 0.279 0.000 1.186 148 A CA 1.500 53.565 52.037 0.047 0.000 0.620 148 A CB -0.447 18.581 19.000 0.047 0.000 0.822 148 A HN 0.270 nan 8.150 nan 0.000 0.443 149 R N -1.267 119.331 120.500 0.163 0.000 2.081 149 R HA -0.139 4.203 4.340 0.004 0.000 0.235 149 R C 2.418 178.916 176.300 0.330 0.000 1.131 149 R CA 1.539 57.760 56.100 0.201 0.000 0.960 149 R CB -0.293 29.937 30.300 -0.116 0.000 0.856 149 R HN 0.425 nan 8.270 nan 0.000 0.436 150 R N 1.453 122.097 120.500 0.239 0.000 2.120 150 R HA -0.051 4.291 4.340 0.004 0.000 0.234 150 R C 1.970 178.565 176.300 0.491 0.000 1.123 150 R CA 1.262 57.547 56.100 0.309 0.000 0.975 150 R CB -0.626 29.740 30.300 0.110 0.000 0.866 150 R HN 0.210 nan 8.270 nan 0.000 0.446 151 L N -0.157 121.355 121.223 0.482 0.000 2.265 151 L HA -0.101 4.242 4.340 0.004 0.000 0.215 151 L C 1.706 178.784 176.870 0.347 0.000 1.117 151 L CA 0.865 55.940 54.840 0.393 0.000 0.782 151 L CB -0.191 41.958 42.059 0.150 0.000 0.914 151 L HN 0.210 nan 8.230 nan 0.000 0.441 152 L N -1.712 119.739 121.223 0.381 0.000 2.592 152 L HA -0.093 4.250 4.340 0.004 0.000 0.227 152 L C 2.107 179.118 176.870 0.235 0.000 1.127 152 L CA 0.052 55.041 54.840 0.247 0.000 0.884 152 L CB -0.331 41.882 42.059 0.256 0.000 1.065 152 L HN 0.488 nan 8.230 nan 0.000 0.457 153 W N 2.835 124.274 121.300 0.231 0.000 2.342 153 W HA -0.138 4.525 4.660 0.004 0.000 0.297 153 W C -1.095 175.453 176.519 0.049 0.000 1.213 153 W CA 0.920 58.361 57.345 0.160 0.000 1.251 153 W CB -0.842 28.768 29.460 0.251 0.000 1.136 153 W HN 0.110 nan 8.180 nan 0.000 0.526 154 P HA -0.173 nan 4.420 nan 0.000 0.217 154 P C 1.728 178.812 177.300 -0.360 0.000 1.150 154 P CA 2.035 64.885 63.100 -0.416 0.000 0.832 154 P CB -0.241 31.380 31.700 -0.132 0.000 0.787 155 I N -0.790 119.673 120.570 -0.179 0.000 2.252 155 I HA -0.239 3.934 4.170 0.004 0.000 0.245 155 I C 2.365 178.406 176.117 -0.126 0.000 1.102 155 I CA 1.305 62.562 61.300 -0.072 0.000 1.385 155 I CB -0.300 37.702 38.000 0.003 0.000 1.064 155 I HN -0.141 nan 8.210 nan 0.000 0.414 156 K N 1.185 121.411 120.400 -0.289 0.000 2.063 156 K HA -0.279 4.043 4.320 0.004 0.000 0.208 156 K C 2.135 178.525 176.600 -0.350 0.000 1.048 156 K CA 1.768 57.835 56.287 -0.366 0.000 0.928 156 K CB -0.356 31.753 32.500 -0.652 0.000 0.713 156 K HN 0.300 nan 8.250 nan 0.000 0.442 157 Q N 0.375 119.719 119.800 -0.760 0.000 2.084 157 Q HA -0.228 4.115 4.340 0.004 0.000 0.202 157 Q C 2.014 177.753 176.000 -0.434 0.000 0.978 157 Q CA 1.986 57.289 55.803 -0.833 0.000 0.844 157 Q CB -0.173 27.653 28.738 -1.519 0.000 0.898 157 Q HN 0.367 nan 8.270 nan 0.000 0.426 158 K N -0.890 119.247 120.400 -0.437 0.000 2.148 158 K HA -0.164 4.158 4.320 0.004 0.000 0.204 158 K C 1.036 177.300 176.600 -0.559 0.000 1.050 158 K CA 1.317 57.312 56.287 -0.487 0.000 0.942 158 K CB 0.005 32.162 32.500 -0.571 0.000 0.724 158 K HN 0.321 nan 8.250 nan 0.000 0.446 159 Y N -0.173 120.046 120.300 -0.135 0.000 2.481 159 Y HA 0.203 4.755 4.550 0.004 0.000 0.258 159 Y C 1.456 177.342 175.900 -0.022 0.000 1.103 159 Y CA 0.215 58.273 58.100 -0.069 0.000 1.287 159 Y CB 0.661 39.085 38.460 -0.060 0.000 1.108 159 Y HN 0.329 nan 8.280 nan 0.000 0.529 160 G N 1.861 110.694 108.800 0.055 0.000 2.596 160 G HA2 -0.431 3.531 3.960 0.004 0.000 0.295 160 G HA3 -0.431 3.531 3.960 0.004 0.000 0.295 160 G C 1.224 176.224 174.900 0.168 0.000 1.240 160 G CA 0.682 45.830 45.100 0.080 0.000 0.985 160 G HN 0.477 nan 8.290 nan 0.000 0.555 161 R N 0.937 121.553 120.500 0.192 0.000 2.285 161 R HA 0.326 4.668 4.340 0.004 0.000 0.213 161 R C 2.418 179.024 176.300 0.511 0.000 1.068 161 R CA 1.937 58.223 56.100 0.309 0.000 1.004 161 R CB -0.371 30.038 30.300 0.181 0.000 0.873 161 R HN 1.091 nan 8.270 nan 0.000 0.467 162 A N 1.224 124.270 122.820 0.376 0.000 2.167 162 A HA 0.184 4.507 4.320 0.004 0.000 0.214 162 A C 1.057 178.913 177.584 0.453 0.000 1.151 162 A CA 0.251 52.500 52.037 0.353 0.000 0.735 162 A CB 0.098 19.213 19.000 0.192 0.000 0.802 162 A HN 0.420 nan 8.150 nan 0.000 0.467 163 I N 0.987 121.825 120.570 0.448 0.000 2.468 163 I HA 0.261 4.433 4.170 0.004 0.000 0.285 163 I C 0.041 176.339 176.117 0.302 0.000 1.039 163 I CA -0.680 60.899 61.300 0.465 0.000 1.074 163 I CB 1.857 39.998 38.000 0.235 0.000 1.228 163 I HN 0.206 nan 8.210 nan 0.000 0.436 164 S N 4.486 120.339 115.700 0.254 0.000 2.593 164 S HA 0.120 4.593 4.470 0.004 0.000 0.269 164 S C 0.753 175.372 174.600 0.032 0.000 1.334 164 S CA -0.273 57.893 58.200 -0.056 0.000 1.015 164 S CB 0.688 63.619 63.200 -0.449 0.000 0.912 164 S HN 0.808 nan 8.310 nan 0.000 0.541 165 W N 1.233 122.501 121.300 -0.054 0.000 2.325 165 W HA -0.128 4.534 4.660 0.004 0.000 0.299 165 W C 2.748 179.211 176.519 -0.093 0.000 1.215 165 W CA 1.213 58.520 57.345 -0.063 0.000 1.244 165 W CB -0.544 28.836 29.460 -0.133 0.000 1.140 165 W HN 0.931 nan 8.180 nan 0.000 0.523 166 A N 0.005 122.883 122.820 0.097 0.000 1.902 166 A HA -0.222 4.101 4.320 0.004 0.000 0.217 166 A C 1.652 179.244 177.584 0.014 0.000 1.181 166 A CA 2.125 54.158 52.037 -0.006 0.000 0.623 166 A CB -0.811 18.124 19.000 -0.108 0.000 0.818 166 A HN 0.154 nan 8.150 nan 0.000 0.443 167 D N -0.604 119.822 120.400 0.044 0.000 2.144 167 D HA -0.090 4.553 4.640 0.004 0.000 0.200 167 D C 1.821 178.240 176.300 0.197 0.000 0.978 167 D CA 0.992 55.088 54.000 0.159 0.000 0.833 167 D CB -0.329 40.614 40.800 0.238 0.000 0.961 167 D HN 0.329 nan 8.370 nan 0.000 0.470 168 L N 0.727 122.026 121.223 0.127 0.000 2.083 168 L HA -0.085 4.257 4.340 0.004 0.000 0.209 168 L C 2.092 178.993 176.870 0.051 0.000 1.083 168 L CA 1.261 56.128 54.840 0.045 0.000 0.752 168 L CB -0.435 41.612 42.059 -0.020 0.000 0.899 168 L HN 0.010 nan 8.230 nan 0.000 0.433 169 L N -1.210 120.085 121.223 0.121 0.000 2.046 169 L HA -0.222 4.120 4.340 0.004 0.000 0.208 169 L C 2.415 179.329 176.870 0.073 0.000 1.077 169 L CA 0.829 55.729 54.840 0.100 0.000 0.747 169 L CB -0.672 41.443 42.059 0.093 0.000 0.896 169 L HN 0.265 nan 8.230 nan 0.000 0.432 170 I N -0.408 120.213 120.570 0.086 0.000 2.286 170 I HA -0.212 3.960 4.170 0.004 0.000 0.245 170 I C 2.462 178.658 176.117 0.131 0.000 1.104 170 I CA 1.141 62.520 61.300 0.131 0.000 1.397 170 I CB -1.006 37.066 38.000 0.121 0.000 1.072 170 I HN 0.223 nan 8.210 nan 0.000 0.417 171 L N 0.878 122.081 121.223 -0.033 0.000 2.083 171 L HA -0.184 4.159 4.340 0.004 0.000 0.209 171 L C 2.410 179.137 176.870 -0.238 0.000 1.083 171 L CA 2.012 56.584 54.840 -0.447 0.000 0.752 171 L CB -0.988 40.716 42.059 -0.591 0.000 0.899 171 L HN 0.161 nan 8.230 nan 0.000 0.433 172 T N -0.532 113.912 114.554 -0.182 0.000 2.746 172 T HA -0.113 4.240 4.350 0.004 0.000 0.267 172 T C 1.718 176.340 174.700 -0.130 0.000 1.039 172 T CA 1.237 63.178 62.100 -0.265 0.000 1.142 172 T CB -0.927 67.691 68.868 -0.417 0.000 0.866 172 T HN 0.607 nan 8.240 nan 0.000 0.444 173 G N 1.707 110.544 108.800 0.061 0.000 2.440 173 G HA2 -0.275 3.688 3.960 0.004 0.000 0.218 173 G HA3 -0.275 3.688 3.960 0.004 0.000 0.218 173 G C 1.641 176.606 174.900 0.108 0.000 1.154 173 G CA 0.924 46.156 45.100 0.220 0.000 0.767 173 G HN 0.400 nan 8.290 nan 0.000 0.552 174 N N 0.181 118.985 118.700 0.174 0.000 2.069 174 N HA -0.100 4.642 4.740 0.004 0.000 0.191 174 N C 2.265 177.728 175.510 -0.079 0.000 1.031 174 N CA 1.185 54.288 53.050 0.088 0.000 0.852 174 N CB -0.552 38.013 38.487 0.129 0.000 1.018 174 N HN 0.178 nan 8.380 nan 0.000 0.423 175 V N 0.959 120.779 119.914 -0.157 0.000 2.427 175 V HA -0.169 3.953 4.120 0.004 0.000 0.248 175 V C 2.247 178.199 176.094 -0.236 0.000 1.051 175 V CA 1.660 63.792 62.300 -0.281 0.000 1.048 175 V CB -1.008 30.573 31.823 -0.404 0.000 0.666 175 V HN 0.333 nan 8.190 nan 0.000 0.456 176 A N -0.029 122.712 122.820 -0.132 0.000 1.883 176 A HA -0.211 4.112 4.320 0.004 0.000 0.217 176 A C 2.227 179.714 177.584 -0.162 0.000 1.186 176 A CA 2.023 54.044 52.037 -0.027 0.000 0.624 176 A CB -0.597 18.441 19.000 0.063 0.000 0.822 176 A HN 0.492 nan 8.150 nan 0.000 0.444 177 L N -0.812 120.238 121.223 -0.288 0.000 2.012 177 L HA -0.250 4.093 4.340 0.004 0.000 0.210 177 L C 2.674 179.500 176.870 -0.074 0.000 1.073 177 L CA 1.962 56.600 54.840 -0.336 0.000 0.748 177 L CB -0.639 41.190 42.059 -0.382 0.000 0.891 177 L HN 0.489 nan 8.230 nan 0.000 0.431 178 E N -0.818 119.365 120.200 -0.029 0.000 2.110 178 E HA -0.224 4.128 4.350 0.004 0.000 0.193 178 E C 2.319 179.017 176.600 0.162 0.000 0.988 178 E CA 1.353 57.792 56.400 0.064 0.000 0.804 178 E CB -0.121 29.628 29.700 0.082 0.000 0.745 178 E HN 0.307 nan 8.360 nan 0.000 0.458 179 S N 0.415 116.210 115.700 0.158 0.000 2.383 179 S HA -0.123 4.350 4.470 0.004 0.000 0.229 179 S C 1.744 176.483 174.600 0.231 0.000 1.030 179 S CA 1.063 59.439 58.200 0.292 0.000 1.002 179 S CB -0.031 63.343 63.200 0.291 0.000 0.829 179 S HN 0.179 nan 8.310 nan 0.000 0.467 180 M N 0.337 120.012 119.600 0.126 0.000 2.505 180 M HA 0.246 4.728 4.480 0.004 0.000 0.230 180 M C 1.241 177.715 176.300 0.290 0.000 1.153 180 M CA 0.547 55.929 55.300 0.137 0.000 0.997 180 M CB 0.415 33.037 32.600 0.036 0.000 1.606 180 M HN 0.538 nan 8.290 nan 0.000 0.481 181 G N 1.223 110.162 108.800 0.232 0.000 2.144 181 G HA2 -0.266 3.696 3.960 0.004 0.000 0.218 181 G HA3 -0.266 3.696 3.960 0.004 0.000 0.218 181 G C -0.351 174.668 174.900 0.199 0.000 0.988 181 G CA -0.592 44.649 45.100 0.234 0.000 0.659 181 G HN 0.462 nan 8.290 nan 0.000 0.522 182 F N 1.860 121.785 119.950 -0.042 0.000 2.427 182 F HA 0.672 5.201 4.527 0.004 0.000 0.346 182 F C 0.361 176.008 175.800 -0.254 0.000 1.120 182 F CA -1.253 56.554 58.000 -0.321 0.000 1.033 182 F CB 1.200 39.958 39.000 -0.403 0.000 1.126 182 F HN -0.012 nan 8.300 nan 0.000 0.462 183 K N 5.349 125.240 120.400 -0.848 0.000 2.312 183 K HA 0.237 4.559 4.320 0.004 0.000 0.287 183 K C -0.109 176.099 176.600 -0.653 0.000 1.062 183 K CA -0.314 55.640 56.287 -0.555 0.000 0.934 183 K CB 0.571 32.810 32.500 -0.436 0.000 1.027 183 K HN 0.821 nan 8.250 nan 0.000 0.478 184 T N 0.948 115.362 114.554 -0.233 0.000 2.849 184 T HA 0.129 4.482 4.350 0.004 0.000 0.284 184 T C 0.794 175.511 174.700 0.027 0.000 1.004 184 T CA -0.597 61.493 62.100 -0.016 0.000 1.021 184 T CB 0.584 69.541 68.868 0.148 0.000 1.013 184 T HN 0.530 nan 8.240 nan 0.000 0.527 185 F N 0.921 120.859 119.950 -0.020 0.000 2.710 185 F HA 0.410 4.939 4.527 0.004 0.000 0.298 185 F C 1.235 176.911 175.800 -0.207 0.000 1.137 185 F CA 0.981 58.909 58.000 -0.121 0.000 1.444 185 F CB -0.411 38.535 39.000 -0.090 0.000 1.111 185 F HN 1.229 nan 8.300 nan 0.000 0.580 186 G N -0.468 108.350 108.800 0.031 0.000 2.357 186 G HA2 0.255 4.217 3.960 0.004 0.000 0.289 186 G HA3 0.255 4.217 3.960 0.004 0.000 0.289 186 G C -2.020 173.101 174.900 0.368 0.000 1.302 186 G CA -0.511 44.580 45.100 -0.015 0.000 0.936 186 G HN 0.266 nan 8.290 nan 0.000 0.513 187 F N 0.039 120.106 119.950 0.194 0.000 2.672 187 F HA 0.781 5.311 4.527 0.005 0.000 0.311 187 F C -0.663 175.321 175.800 0.307 0.000 1.113 187 F CA 0.108 58.328 58.000 0.365 0.000 0.996 187 F CB 1.486 40.644 39.000 0.263 0.000 1.286 187 F HN 1.562 nan 8.300 nan 0.000 0.441 188 A N 3.059 125.601 122.820 -0.463 0.000 2.386 188 A HA 0.847 5.170 4.320 0.004 0.000 0.311 188 A C -0.407 176.439 177.584 -1.231 0.000 1.068 188 A CA -0.237 51.449 52.037 -0.586 0.000 0.743 188 A CB 1.200 19.922 19.000 -0.464 0.000 1.258 188 A HN 1.351 nan 8.150 nan 0.000 0.429 189 G N -0.806 107.495 108.800 -0.832 0.000 2.535 189 G HA2 0.581 4.543 3.960 0.004 0.000 0.303 189 G HA3 0.581 4.543 3.960 0.004 0.000 0.303 189 G C 0.774 175.200 174.900 -0.789 0.000 1.237 189 G CA -0.212 44.231 45.100 -1.095 0.000 0.986 189 G HN 2.186 nan 8.290 nan 0.000 0.494 190 G N -1.465 106.973 108.800 -0.604 0.000 2.273 190 G HA2 -0.172 3.790 3.960 0.004 0.000 0.162 190 G HA3 -0.172 3.790 3.960 0.004 0.000 0.162 190 G C 0.371 175.275 174.900 0.007 0.000 1.006 190 G CA -0.432 44.545 45.100 -0.204 0.000 0.704 190 G HN 0.708 nan 8.290 nan 0.000 0.487 191 R N 1.265 121.721 120.500 -0.074 0.000 2.309 191 R HA 0.580 4.923 4.340 0.004 0.000 0.331 191 R C 0.895 177.082 176.300 -0.187 0.000 1.116 191 R CA 0.497 56.519 56.100 -0.131 0.000 0.970 191 R CB 0.818 31.005 30.300 -0.188 0.000 1.024 191 R HN 0.456 nan 8.270 nan 0.000 0.472 192 A N 3.041 125.781 122.820 -0.133 0.000 2.407 192 A HA 0.064 4.386 4.320 0.004 0.000 0.248 192 A C -0.012 177.406 177.584 -0.276 0.000 1.082 192 A CA -0.430 51.431 52.037 -0.293 0.000 0.785 192 A CB 0.337 19.345 19.000 0.014 0.000 1.020 192 A HN 0.549 nan 8.150 nan 0.000 0.489 193 D N 0.417 120.622 120.400 -0.324 0.000 2.357 193 D HA 0.434 5.077 4.640 0.004 0.000 0.242 193 D C 0.766 176.769 176.300 -0.494 0.000 1.153 193 D CA 0.819 54.584 54.000 -0.393 0.000 0.918 193 D CB 1.071 41.562 40.800 -0.514 0.000 1.181 193 D HN 0.696 nan 8.370 nan 0.000 0.435 194 T N -2.375 111.813 114.554 -0.610 0.000 2.927 194 T HA 0.537 4.890 4.350 0.004 0.000 0.286 194 T C 0.018 174.231 174.700 -0.812 0.000 1.040 194 T CA -0.792 60.984 62.100 -0.540 0.000 1.010 194 T CB 1.241 69.963 68.868 -0.242 0.000 1.177 194 T HN 0.537 nan 8.240 nan 0.000 0.546 195 W N 0.152 121.491 121.300 0.065 0.000 2.324 195 W HA 0.335 4.997 4.660 0.004 0.000 0.316 195 W C 0.437 176.652 176.519 -0.507 0.000 0.927 195 W CA -0.636 56.678 57.345 -0.050 0.000 1.438 195 W CB 0.650 30.138 29.460 0.047 0.000 1.085 195 W HN 0.988 nan 8.180 nan 0.000 0.532 196 E N -0.664 119.214 120.200 -0.537 0.000 2.445 196 E HA 0.448 4.801 4.350 0.004 0.000 0.279 196 E C -2.937 173.334 176.600 -0.549 0.000 1.018 196 E CA -2.542 53.462 56.400 -0.660 0.000 0.816 196 E CB 1.951 31.479 29.700 -0.286 0.000 1.356 196 E HN -0.382 nan 8.360 nan 0.000 0.462 197 P HA 0.117 nan 4.420 nan 0.000 0.268 197 P C -0.836 176.491 177.300 0.046 0.000 1.205 197 P CA 0.176 63.230 63.100 -0.077 0.000 0.771 197 P CB 0.755 32.459 31.700 0.007 0.000 0.858 198 A N 2.473 125.392 122.820 0.166 0.000 2.287 198 A HA 0.261 4.583 4.320 0.004 0.000 0.273 198 A C -0.059 177.600 177.584 0.125 0.000 1.091 198 A CA -0.330 51.844 52.037 0.229 0.000 0.817 198 A CB 0.114 19.217 19.000 0.172 0.000 1.069 198 A HN 0.450 nan 8.150 nan 0.000 0.492 199 D N 1.334 121.783 120.400 0.081 0.000 2.467 199 D HA 0.417 5.059 4.640 0.004 0.000 0.220 199 D C -0.943 175.320 176.300 -0.061 0.000 1.103 199 D CA 0.300 54.311 54.000 0.020 0.000 0.886 199 D CB 1.108 41.909 40.800 0.002 0.000 1.025 199 D HN 0.133 nan 8.370 nan 0.000 0.514 200 V N 2.883 122.705 119.914 -0.154 0.000 2.604 200 V HA 0.144 4.266 4.120 0.004 0.000 0.305 200 V C -0.453 175.307 176.094 -0.557 0.000 1.043 200 V CA -1.074 60.930 62.300 -0.493 0.000 0.888 200 V CB 1.978 33.187 31.823 -1.024 0.000 0.995 200 V HN 0.355 nan 8.190 nan 0.000 0.429 201 Y N 3.023 123.013 120.300 -0.518 0.000 2.531 201 Y HA 0.230 4.783 4.550 0.004 0.000 0.347 201 Y C 0.173 175.838 175.900 -0.391 0.000 1.024 201 Y CA -0.706 57.198 58.100 -0.327 0.000 1.306 201 Y CB 0.603 38.940 38.460 -0.205 0.000 1.149 201 Y HN 0.767 nan 8.280 nan 0.000 0.527 202 W N 4.472 125.546 121.300 -0.376 0.000 3.239 202 W HA 0.487 5.150 4.660 0.005 0.000 0.348 202 W C 0.737 176.908 176.519 -0.579 0.000 1.183 202 W CA 0.435 57.609 57.345 -0.285 0.000 1.819 202 W CB 0.430 29.943 29.460 0.089 0.000 1.091 202 W HN 0.993 nan 8.180 nan 0.000 0.629 203 G N -0.534 107.605 108.800 -1.101 0.000 2.357 203 G HA2 -0.059 3.903 3.960 0.004 0.000 0.643 203 G HA3 -0.059 3.903 3.960 0.004 0.000 0.643 203 G C -0.008 174.676 174.900 -0.360 0.000 1.358 203 G CA -0.359 44.304 45.100 -0.729 0.000 0.986 203 G HN -0.219 nan 8.290 nan 0.000 0.620 204 S N -0.193 115.476 115.700 -0.052 0.000 2.539 204 S HA 0.243 4.716 4.470 0.004 0.000 0.221 204 S C 0.634 175.216 174.600 -0.029 0.000 0.987 204 S CA 0.273 58.508 58.200 0.058 0.000 0.929 204 S CB 0.271 63.563 63.200 0.153 0.000 0.832 204 S HN 0.603 nan 8.310 nan 0.000 0.492 205 E N 1.852 122.001 120.200 -0.085 0.000 2.418 205 E HA 0.130 4.482 4.350 0.004 0.000 0.261 205 E C 0.622 177.116 176.600 -0.177 0.000 1.070 205 E CA 0.212 56.546 56.400 -0.111 0.000 0.931 205 E CB 0.413 30.041 29.700 -0.120 0.000 0.954 205 E HN -0.117 nan 8.360 nan 0.000 0.439 206 K N 1.483 121.787 120.400 -0.159 0.000 2.414 206 K HA 0.325 4.647 4.320 0.004 0.000 0.204 206 K C -0.273 176.187 176.600 -0.233 0.000 1.026 206 K CA 0.056 56.226 56.287 -0.195 0.000 1.108 206 K CB 0.404 32.836 32.500 -0.114 0.000 0.855 206 K HN 0.442 nan 8.250 nan 0.000 0.517 207 I N 0.358 120.791 120.570 -0.228 0.000 2.478 207 I HA 0.254 4.427 4.170 0.004 0.000 0.287 207 I C -0.593 175.424 176.117 -0.167 0.000 1.042 207 I CA -1.034 60.169 61.300 -0.162 0.000 1.067 207 I CB 1.440 39.409 38.000 -0.052 0.000 1.233 207 I HN -0.043 nan 8.210 nan 0.000 0.431 208 W N 6.863 128.144 121.300 -0.032 0.000 2.314 208 W HA 0.129 4.791 4.660 0.004 0.000 0.339 208 W C 1.052 177.534 176.519 -0.061 0.000 1.293 208 W CA -0.006 57.301 57.345 -0.062 0.000 1.288 208 W CB 0.216 29.657 29.460 -0.031 0.000 1.186 208 W HN 0.486 nan 8.180 nan 0.000 0.566 209 L N 0.472 121.806 121.223 0.185 0.000 4.696 209 L HA -0.293 4.050 4.340 0.004 0.000 0.425 209 L C 0.759 177.662 176.870 0.055 0.000 1.115 209 L CA 0.309 55.203 54.840 0.089 0.000 0.996 209 L CB -1.846 40.266 42.059 0.088 0.000 2.077 209 L HN 0.563 nan 8.230 nan 0.000 0.792 210 E N 1.395 121.614 120.200 0.031 0.000 2.502 210 E HA 0.203 4.556 4.350 0.004 0.000 0.261 210 E C 0.393 177.017 176.600 0.040 0.000 0.974 210 E CA -0.156 56.260 56.400 0.025 0.000 0.936 210 E CB 0.560 30.259 29.700 -0.002 0.000 0.926 210 E HN 0.243 nan 8.360 nan 0.000 0.459 211 L N 2.614 123.862 121.223 0.043 0.000 2.476 211 L HA 0.114 4.457 4.340 0.004 0.000 0.255 211 L C 0.974 177.882 176.870 0.063 0.000 1.218 211 L CA -0.567 54.303 54.840 0.051 0.000 0.819 211 L CB 0.564 42.645 42.059 0.038 0.000 1.119 211 L HN 0.624 nan 8.230 nan 0.000 0.485 212 S N -0.580 115.163 115.700 0.071 0.000 2.608 212 S HA 0.413 4.885 4.470 0.004 0.000 0.261 212 S C 0.953 175.598 174.600 0.075 0.000 1.314 212 S CA -0.056 58.212 58.200 0.114 0.000 0.992 212 S CB 1.190 64.445 63.200 0.092 0.000 0.935 212 S HN 1.106 nan 8.310 nan 0.000 0.564 213 G N -0.109 108.747 108.800 0.094 0.000 2.176 213 G HA2 -0.079 3.883 3.960 0.004 0.000 0.253 213 G HA3 -0.079 3.883 3.960 0.004 0.000 0.253 213 G C 0.535 175.463 174.900 0.047 0.000 0.979 213 G CA 0.150 45.288 45.100 0.063 0.000 0.641 213 G HN 1.333 nan 8.290 nan 0.000 0.530 214 G N 0.143 108.971 108.800 0.045 0.000 2.563 214 G HA2 0.612 4.574 3.960 0.004 0.000 0.283 214 G HA3 0.612 4.574 3.960 0.004 0.000 0.283 214 G C -0.164 174.752 174.900 0.027 0.000 1.309 214 G CA -0.001 45.116 45.100 0.029 0.000 1.022 214 G HN 0.131 nan 8.290 nan 0.000 0.501 215 P HA -0.043 nan 4.420 nan 0.000 0.222 215 P C 0.405 177.717 177.300 0.019 0.000 1.147 215 P CA 0.868 63.977 63.100 0.016 0.000 0.790 215 P CB 0.339 32.043 31.700 0.008 0.000 0.780 216 N N -0.449 118.262 118.700 0.018 0.000 2.467 216 N HA 0.052 4.795 4.740 0.004 0.000 0.278 216 N C -0.190 175.339 175.510 0.031 0.000 1.306 216 N CA -0.026 53.038 53.050 0.023 0.000 0.905 216 N CB 0.345 38.836 38.487 0.007 0.000 1.236 216 N HN -0.025 nan 8.380 nan 0.000 0.509 217 S N 1.056 116.781 115.700 0.043 0.000 2.546 217 S HA -0.007 4.465 4.470 0.004 0.000 0.290 217 S C 1.494 176.123 174.600 0.048 0.000 1.290 217 S CA -0.282 57.957 58.200 0.065 0.000 1.069 217 S CB 0.583 63.838 63.200 0.092 0.000 0.846 217 S HN 0.467 nan 8.310 nan 0.000 0.495 218 R N 3.432 123.941 120.500 0.016 0.000 2.313 218 R HA 0.144 4.487 4.340 0.004 0.000 0.199 218 R C -0.632 175.518 176.300 -0.249 0.000 0.958 218 R CA 0.237 56.273 56.100 -0.107 0.000 1.047 218 R CB -0.167 30.030 30.300 -0.172 0.000 0.955 218 R HN 0.573 nan 8.270 nan 0.000 0.481 219 Y N 0.674 120.997 120.300 0.038 0.000 2.429 219 Y HA 0.408 4.960 4.550 0.004 0.000 0.342 219 Y C 0.169 176.090 175.900 0.035 0.000 1.004 219 Y CA -0.485 57.638 58.100 0.038 0.000 1.075 219 Y CB 2.259 40.740 38.460 0.035 0.000 1.214 219 Y HN 0.163 nan 8.280 nan 0.000 0.455 220 S N 0.636 116.460 115.700 0.208 0.000 2.638 220 S HA 0.878 5.351 4.470 0.004 0.000 0.274 220 S C -0.019 174.655 174.600 0.123 0.000 1.157 220 S CA -0.363 57.917 58.200 0.132 0.000 0.826 220 S CB 1.504 64.754 63.200 0.083 0.000 1.139 220 S HN 1.532 nan 8.310 nan 0.000 0.474 221 G N 1.417 110.267 108.800 0.083 0.000 2.552 221 G HA2 -0.212 3.750 3.960 0.004 0.000 0.265 221 G HA3 -0.212 3.750 3.960 0.004 0.000 0.265 221 G C -0.411 174.530 174.900 0.068 0.000 1.234 221 G CA 0.518 45.659 45.100 0.068 0.000 0.944 221 G HN 1.258 nan 8.290 nan 0.000 0.568 222 D N 0.884 121.322 120.400 0.063 0.000 2.619 222 D HA 0.414 5.057 4.640 0.004 0.000 0.224 222 D C 1.129 177.472 176.300 0.072 0.000 1.133 222 D CA 0.099 54.128 54.000 0.049 0.000 1.017 222 D CB -0.708 40.116 40.800 0.040 0.000 1.077 222 D HN 0.782 nan 8.370 nan 0.000 0.503 223 R N 1.394 121.941 120.500 0.078 0.000 3.333 223 R HA -0.181 4.162 4.340 0.004 0.000 0.256 223 R C -0.681 175.813 176.300 0.323 0.000 1.010 223 R CA 0.486 56.650 56.100 0.106 0.000 0.680 223 R CB -0.873 29.402 30.300 -0.043 0.000 1.102 223 R HN 0.436 nan 8.270 nan 0.000 0.440 224 Q N 0.943 120.932 119.800 0.314 0.000 2.296 224 Q HA 0.186 4.529 4.340 0.004 0.000 0.257 224 Q C -0.173 175.918 176.000 0.152 0.000 0.942 224 Q CA -0.628 55.306 55.803 0.217 0.000 0.939 224 Q CB 1.475 30.284 28.738 0.119 0.000 1.198 224 Q HN 0.244 nan 8.270 nan 0.000 0.429 225 L N 3.069 124.306 121.223 0.022 0.000 2.326 225 L HA 0.148 4.491 4.340 0.004 0.000 0.278 225 L C 0.253 177.035 176.870 -0.146 0.000 1.092 225 L CA -0.090 54.562 54.840 -0.313 0.000 0.810 225 L CB 0.718 42.626 42.059 -0.251 0.000 1.153 225 L HN 0.540 nan 8.230 nan 0.000 0.439 226 E N 3.104 123.201 120.200 -0.172 0.000 2.366 226 E HA 0.059 4.412 4.350 0.004 0.000 0.266 226 E C -0.663 175.924 176.600 -0.023 0.000 1.015 226 E CA -0.012 56.356 56.400 -0.053 0.000 0.906 226 E CB -0.062 29.630 29.700 -0.013 0.000 0.979 226 E HN 0.688 nan 8.360 nan 0.000 0.443 227 N N 3.965 122.659 118.700 -0.009 0.000 2.492 227 N HA 0.045 4.787 4.740 0.004 0.000 0.260 227 N C -1.696 173.817 175.510 0.005 0.000 1.215 227 N CA -1.176 51.866 53.050 -0.013 0.000 0.923 227 N CB 0.700 39.169 38.487 -0.030 0.000 1.092 227 N HN 0.571 nan 8.380 nan 0.000 0.448 228 P HA 0.135 nan 4.420 nan 0.000 0.259 228 P C -0.616 176.681 177.300 -0.005 0.000 1.530 228 P CA 0.103 63.191 63.100 -0.019 0.000 1.022 228 P CB 0.272 31.943 31.700 -0.048 0.000 1.514 229 L N 0.202 121.437 121.223 0.020 0.000 2.417 229 L HA 0.468 4.811 4.340 0.004 0.000 0.268 229 L C 1.138 178.018 176.870 0.017 0.000 1.158 229 L CA -0.386 54.463 54.840 0.015 0.000 0.819 229 L CB 0.618 42.665 42.059 -0.019 0.000 1.112 229 L HN -0.059 nan 8.230 nan 0.000 0.458 230 A N 1.693 124.552 122.820 0.065 0.000 2.592 230 A HA 0.706 5.029 4.320 0.004 0.000 0.290 230 A C 0.048 177.725 177.584 0.156 0.000 0.998 230 A CA 0.178 52.274 52.037 0.100 0.000 0.983 230 A CB 0.383 19.442 19.000 0.099 0.000 1.240 230 A HN 0.701 nan 8.150 nan 0.000 0.535 231 A N -0.665 122.215 122.820 0.100 0.000 2.515 231 A HA 0.637 4.960 4.320 0.004 0.000 0.296 231 A C 0.865 178.495 177.584 0.078 0.000 1.094 231 A CA 0.207 52.299 52.037 0.092 0.000 0.718 231 A CB 0.819 19.810 19.000 -0.014 0.000 1.307 231 A HN 1.165 nan 8.150 nan 0.000 0.408 232 V N -1.874 118.124 119.914 0.141 0.000 2.951 232 V HA 0.200 4.323 4.120 0.004 0.000 0.255 232 V C 0.381 176.594 176.094 0.199 0.000 1.088 232 V CA 1.308 63.762 62.300 0.257 0.000 1.109 232 V CB -0.967 31.023 31.823 0.279 0.000 0.724 232 V HN 0.717 nan 8.190 nan 0.000 0.471 233 Q N -0.090 119.746 119.800 0.059 0.000 2.416 233 Q HA 0.568 4.910 4.340 0.004 0.000 0.281 233 Q C -1.121 174.809 176.000 -0.117 0.000 1.067 233 Q CA -0.987 54.820 55.803 0.007 0.000 0.809 233 Q CB 2.380 31.130 28.738 0.020 0.000 1.418 233 Q HN 0.320 nan 8.270 nan 0.000 0.411 234 M N 1.314 120.838 119.600 -0.126 0.000 2.307 234 M HA 0.328 4.811 4.480 0.004 0.000 0.346 234 M C 0.749 176.901 176.300 -0.246 0.000 1.552 234 M CA 1.612 56.774 55.300 -0.230 0.000 1.116 234 M CB -0.508 31.969 32.600 -0.205 0.000 1.889 234 M HN 0.854 nan 8.290 nan 0.000 0.460 235 G N 3.846 112.156 108.800 -0.817 0.000 2.179 235 G HA2 -0.154 3.809 3.960 0.004 0.000 0.220 235 G HA3 -0.154 3.809 3.960 0.004 0.000 0.220 235 G C -0.243 174.183 174.900 -0.790 0.000 0.990 235 G CA 0.030 44.467 45.100 -1.106 0.000 0.646 235 G HN 0.688 nan 8.290 nan 0.000 0.517 236 L N 1.083 121.945 121.223 -0.602 0.000 2.344 236 L HA 0.500 4.842 4.340 0.004 0.000 0.272 236 L C 1.781 178.471 176.870 -0.300 0.000 1.035 236 L CA -1.419 53.248 54.840 -0.290 0.000 0.807 236 L CB 0.861 42.852 42.059 -0.113 0.000 1.237 236 L HN -0.144 nan 8.230 nan 0.000 0.442 237 I N 0.272 120.712 120.570 -0.217 0.000 2.235 237 I HA -0.156 4.016 4.170 0.004 0.000 0.241 237 I C 1.226 177.016 176.117 -0.545 0.000 1.085 237 I CA 2.061 63.126 61.300 -0.392 0.000 1.378 237 I CB -0.482 37.117 38.000 -0.667 0.000 1.076 237 I HN 0.647 nan 8.210 nan 0.000 0.415 238 Y N -0.619 119.675 120.300 -0.009 0.000 3.266 238 Y HA 0.240 4.793 4.550 0.004 0.000 0.189 238 Y C 0.680 176.643 175.900 0.104 0.000 0.895 238 Y CA -0.309 57.813 58.100 0.038 0.000 1.706 238 Y CB 0.136 38.629 38.460 0.055 0.000 1.449 238 Y HN -0.146 nan 8.280 nan 0.000 0.391 239 V N -1.039 119.078 119.914 0.338 0.000 3.158 239 V HA 0.523 4.646 4.120 0.004 0.000 0.315 239 V C -0.762 175.446 176.094 0.190 0.000 1.148 239 V CA -1.133 61.321 62.300 0.256 0.000 1.042 239 V CB 1.741 33.727 31.823 0.272 0.000 1.101 239 V HN 0.310 nan 8.190 nan 0.000 0.448 240 N N 2.504 121.300 118.700 0.160 0.000 2.422 240 N HA 0.390 5.132 4.740 0.004 0.000 0.264 240 N C -1.596 174.012 175.510 0.162 0.000 1.063 240 N CA -1.919 51.215 53.050 0.139 0.000 0.959 240 N CB 1.719 40.275 38.487 0.115 0.000 1.087 240 N HN 0.626 nan 8.380 nan 0.000 0.483 241 P HA -0.042 nan 4.420 nan 0.000 0.230 241 P C 0.269 177.688 177.300 0.197 0.000 1.158 241 P CA 1.047 64.267 63.100 0.200 0.000 0.769 241 P CB 0.535 32.359 31.700 0.206 0.000 0.807 242 E N -0.274 120.033 120.200 0.178 0.000 2.299 242 E HA 0.245 4.598 4.350 0.004 0.000 0.193 242 E C 1.005 177.719 176.600 0.189 0.000 0.998 242 E CA 0.451 56.976 56.400 0.208 0.000 0.851 242 E CB 0.022 29.853 29.700 0.218 0.000 0.795 242 E HN 0.256 nan 8.360 nan 0.000 0.492 243 G N 1.164 110.057 108.800 0.154 0.000 2.355 243 G HA2 -0.089 3.874 3.960 0.004 0.000 0.619 243 G HA3 -0.089 3.874 3.960 0.004 0.000 0.619 243 G C -3.116 171.837 174.900 0.089 0.000 1.337 243 G CA -1.320 43.852 45.100 0.120 0.000 0.993 243 G HN -0.214 nan 8.290 nan 0.000 0.599 244 P HA 0.303 nan 4.420 nan 0.000 0.266 244 P C -0.220 177.087 177.300 0.013 0.000 1.215 244 P CA 0.576 63.690 63.100 0.024 0.000 0.763 244 P CB 0.404 32.097 31.700 -0.012 0.000 0.806 245 D N 3.384 123.794 120.400 0.017 0.000 2.792 245 D HA -0.210 4.432 4.640 0.004 0.000 0.231 245 D C 1.139 177.469 176.300 0.050 0.000 1.160 245 D CA 1.984 56.000 54.000 0.026 0.000 0.697 245 D CB -1.530 39.268 40.800 -0.003 0.000 1.070 245 D HN 0.809 nan 8.370 nan 0.000 0.426 246 G N -0.094 108.752 108.800 0.076 0.000 2.159 246 G HA2 -0.358 3.605 3.960 0.004 0.000 0.256 246 G HA3 -0.358 3.605 3.960 0.004 0.000 0.256 246 G C 0.078 175.044 174.900 0.109 0.000 0.977 246 G CA 0.282 45.454 45.100 0.121 0.000 0.652 246 G HN 0.583 nan 8.290 nan 0.000 0.531 247 N N 1.138 119.864 118.700 0.043 0.000 2.419 247 N HA 0.510 5.253 4.740 0.004 0.000 0.264 247 N C -1.954 173.537 175.510 -0.031 0.000 1.031 247 N CA -2.299 50.737 53.050 -0.022 0.000 0.951 247 N CB 1.477 39.958 38.487 -0.011 0.000 1.101 247 N HN 0.053 nan 8.380 nan 0.000 0.488 248 P HA 0.118 nan 4.420 nan 0.000 0.226 248 P C -1.112 176.293 177.300 0.175 0.000 1.783 248 P CA -0.080 63.026 63.100 0.010 0.000 0.980 248 P CB -0.261 31.304 31.700 -0.225 0.000 1.967 249 D N 1.765 122.230 120.400 0.109 0.000 2.441 249 D HA 0.238 4.881 4.640 0.004 0.000 0.231 249 D C -1.774 174.560 176.300 0.057 0.000 1.073 249 D CA -2.622 51.423 54.000 0.076 0.000 0.850 249 D CB 1.475 42.294 40.800 0.031 0.000 1.062 249 D HN -0.063 nan 8.370 nan 0.000 0.524 250 P HA -0.121 nan 4.420 nan 0.000 0.219 250 P C 1.462 178.791 177.300 0.048 0.000 1.146 250 P CA 0.469 63.568 63.100 -0.002 0.000 0.808 250 P CB 0.517 32.164 31.700 -0.088 0.000 0.779 251 V N 0.011 119.945 119.914 0.032 0.000 2.323 251 V HA -0.191 3.932 4.120 0.004 0.000 0.244 251 V C 2.414 178.530 176.094 0.036 0.000 1.041 251 V CA 2.203 64.530 62.300 0.046 0.000 1.025 251 V CB -1.618 30.221 31.823 0.026 0.000 0.656 251 V HN 0.091 nan 8.190 nan 0.000 0.451 252 A N -0.068 122.769 122.820 0.028 0.000 1.969 252 A HA -0.011 4.311 4.320 0.004 0.000 0.218 252 A C 2.403 180.015 177.584 0.046 0.000 1.169 252 A CA 1.725 53.777 52.037 0.025 0.000 0.635 252 A CB -0.668 18.340 19.000 0.013 0.000 0.810 252 A HN 0.539 nan 8.150 nan 0.000 0.445 253 A N 0.105 122.963 122.820 0.063 0.000 1.940 253 A HA 0.113 4.435 4.320 0.004 0.000 0.219 253 A C 2.464 180.116 177.584 0.112 0.000 1.176 253 A CA 2.057 54.148 52.037 0.090 0.000 0.631 253 A CB -0.967 18.093 19.000 0.099 0.000 0.814 253 A HN 1.072 nan 8.150 nan 0.000 0.446 254 A N -0.461 122.429 122.820 0.117 0.000 1.972 254 A HA -0.163 4.160 4.320 0.004 0.000 0.219 254 A C 2.228 179.882 177.584 0.117 0.000 1.169 254 A CA 1.474 53.617 52.037 0.177 0.000 0.635 254 A CB -0.448 18.634 19.000 0.137 0.000 0.810 254 A HN 0.559 nan 8.150 nan 0.000 0.446 255 R N -0.524 120.013 120.500 0.062 0.000 2.075 255 R HA -0.116 4.226 4.340 0.004 0.000 0.232 255 R C 1.486 177.846 176.300 0.100 0.000 1.126 255 R CA 1.486 57.616 56.100 0.049 0.000 0.963 255 R CB -0.336 29.982 30.300 0.030 0.000 0.858 255 R HN 0.453 nan 8.270 nan 0.000 0.435 256 D N 0.564 121.034 120.400 0.117 0.000 2.117 256 D HA -0.099 4.544 4.640 0.004 0.000 0.198 256 D C 1.870 178.297 176.300 0.212 0.000 0.982 256 D CA 0.974 55.074 54.000 0.166 0.000 0.828 256 D CB -0.118 40.777 40.800 0.157 0.000 0.967 256 D HN 0.169 nan 8.370 nan 0.000 0.464 257 I N 0.484 121.176 120.570 0.203 0.000 2.163 257 I HA -0.273 3.900 4.170 0.004 0.000 0.243 257 I C 2.582 178.844 176.117 0.243 0.000 1.085 257 I CA 1.041 62.470 61.300 0.215 0.000 1.347 257 I CB -0.184 37.868 38.000 0.087 0.000 1.044 257 I HN -0.054 nan 8.210 nan 0.000 0.408 258 R N 0.868 121.501 120.500 0.221 0.000 2.081 258 R HA -0.244 4.099 4.340 0.004 0.000 0.235 258 R C 2.069 178.480 176.300 0.185 0.000 1.131 258 R CA 2.281 58.499 56.100 0.197 0.000 0.960 258 R CB -0.292 30.047 30.300 0.064 0.000 0.856 258 R HN 0.302 nan 8.270 nan 0.000 0.436 259 D N -0.492 120.008 120.400 0.167 0.000 2.084 259 D HA -0.146 4.497 4.640 0.004 0.000 0.194 259 D C 1.824 178.227 176.300 0.172 0.000 0.990 259 D CA 2.383 56.475 54.000 0.154 0.000 0.826 259 D CB -0.219 40.675 40.800 0.158 0.000 0.971 259 D HN 0.413 nan 8.370 nan 0.000 0.453 260 T N -2.162 112.522 114.554 0.217 0.000 2.777 260 T HA -0.120 4.232 4.350 0.004 0.000 0.266 260 T C 2.103 176.851 174.700 0.081 0.000 1.040 260 T CA 0.778 62.995 62.100 0.194 0.000 1.141 260 T CB -0.938 68.100 68.868 0.285 0.000 0.868 260 T HN 0.060 nan 8.240 nan 0.000 0.444 261 F N 2.437 122.317 119.950 -0.118 0.000 2.171 261 F HA 0.198 4.727 4.527 0.003 0.000 0.300 261 F C 2.931 178.696 175.800 -0.059 0.000 1.090 261 F CA 0.605 58.474 58.000 -0.218 0.000 1.293 261 F CB -0.922 37.955 39.000 -0.205 0.000 1.013 261 F HN 0.269 nan 8.300 nan 0.000 0.486 262 A N -0.120 122.807 122.820 0.179 0.000 1.972 262 A HA -0.179 4.144 4.320 0.004 0.000 0.219 262 A C 2.165 179.796 177.584 0.078 0.000 1.169 262 A CA 1.319 53.430 52.037 0.123 0.000 0.635 262 A CB -0.617 18.451 19.000 0.113 0.000 0.810 262 A HN 0.336 nan 8.150 nan 0.000 0.446 263 R N -0.951 119.588 120.500 0.064 0.000 2.323 263 R HA 0.174 4.516 4.340 0.004 0.000 0.198 263 R C 0.710 177.010 176.300 -0.000 0.000 0.988 263 R CA 0.618 56.735 56.100 0.028 0.000 1.041 263 R CB -0.102 30.222 30.300 0.041 0.000 0.926 263 R HN 0.529 nan 8.270 nan 0.000 0.476 264 M N -0.727 118.886 119.600 0.021 0.000 2.496 264 M HA 0.298 4.780 4.480 0.004 0.000 0.330 264 M C 0.252 176.637 176.300 0.140 0.000 1.133 264 M CA -0.139 55.213 55.300 0.087 0.000 0.964 264 M CB 1.307 33.948 32.600 0.068 0.000 1.401 264 M HN 0.114 nan 8.290 nan 0.000 0.520 265 A N 0.524 123.408 122.820 0.107 0.000 3.031 265 A HA -0.137 4.185 4.320 0.004 0.000 0.244 265 A C 0.019 177.643 177.584 0.065 0.000 1.341 265 A CA 0.835 52.935 52.037 0.105 0.000 0.943 265 A CB -1.486 17.607 19.000 0.156 0.000 1.122 265 A HN 0.485 nan 8.150 nan 0.000 0.760 266 M N 0.584 120.239 119.600 0.091 0.000 2.383 266 M HA 0.433 4.916 4.480 0.004 0.000 0.325 266 M C 0.365 176.760 176.300 0.158 0.000 1.092 266 M CA -0.605 54.770 55.300 0.125 0.000 0.961 266 M CB 1.482 34.221 32.600 0.230 0.000 1.672 266 M HN 0.687 nan 8.290 nan 0.000 0.438 267 N N 0.802 119.587 118.700 0.141 0.000 2.566 267 N HA 0.275 5.018 4.740 0.004 0.000 0.299 267 N C 0.090 175.693 175.510 0.154 0.000 1.277 267 N CA -0.344 52.788 53.050 0.137 0.000 0.965 267 N CB 0.395 38.954 38.487 0.119 0.000 1.142 267 N HN 0.358 nan 8.380 nan 0.000 0.596 268 D N -0.620 119.874 120.400 0.157 0.000 2.097 268 D HA -0.168 4.475 4.640 0.004 0.000 0.195 268 D C 1.358 177.760 176.300 0.171 0.000 0.989 268 D CA 1.297 55.434 54.000 0.227 0.000 0.827 268 D CB -0.229 40.687 40.800 0.194 0.000 0.966 268 D HN 0.809 nan 8.370 nan 0.000 0.456 269 E N 0.584 120.871 120.200 0.146 0.000 2.077 269 E HA -0.204 4.149 4.350 0.004 0.000 0.193 269 E C 1.685 178.447 176.600 0.269 0.000 0.989 269 E CA 1.027 57.537 56.400 0.183 0.000 0.800 269 E CB 0.110 29.925 29.700 0.192 0.000 0.746 269 E HN 0.313 nan 8.360 nan 0.000 0.452 270 E N -0.507 119.817 120.200 0.207 0.000 2.106 270 E HA -0.125 4.228 4.350 0.004 0.000 0.192 270 E C 2.088 178.787 176.600 0.165 0.000 0.984 270 E CA 1.538 58.062 56.400 0.207 0.000 0.806 270 E CB 0.037 29.831 29.700 0.157 0.000 0.750 270 E HN 0.224 nan 8.360 nan 0.000 0.458 271 T N 0.656 115.244 114.554 0.056 0.000 2.737 271 T HA -0.114 4.239 4.350 0.004 0.000 0.265 271 T C 2.100 176.602 174.700 -0.330 0.000 1.038 271 T CA 1.020 62.975 62.100 -0.241 0.000 1.144 271 T CB -0.168 68.454 68.868 -0.410 0.000 0.866 271 T HN -0.029 nan 8.240 nan 0.000 0.434 272 V N 1.794 121.579 119.914 -0.214 0.000 2.343 272 V HA -0.167 3.956 4.120 0.004 0.000 0.247 272 V C 2.887 179.061 176.094 0.134 0.000 1.051 272 V CA 1.692 63.906 62.300 -0.144 0.000 1.036 272 V CB -1.215 30.605 31.823 -0.005 0.000 0.654 272 V HN 0.523 nan 8.190 nan 0.000 0.451 273 A N -0.395 122.659 122.820 0.389 0.000 1.902 273 A HA -0.158 4.165 4.320 0.004 0.000 0.217 273 A C 2.235 179.925 177.584 0.176 0.000 1.181 273 A CA 1.804 54.101 52.037 0.434 0.000 0.623 273 A CB -0.497 18.769 19.000 0.444 0.000 0.818 273 A HN 0.500 nan 8.150 nan 0.000 0.443 274 L N -0.847 120.476 121.223 0.167 0.000 2.072 274 L HA -0.118 4.225 4.340 0.004 0.000 0.205 274 L C 2.466 179.237 176.870 -0.166 0.000 1.079 274 L CA 1.110 56.060 54.840 0.184 0.000 0.752 274 L CB -0.375 41.868 42.059 0.308 0.000 0.906 274 L HN 0.376 nan 8.230 nan 0.000 0.436 275 I N -0.400 119.968 120.570 -0.336 0.000 2.286 275 I HA -0.224 3.948 4.170 0.004 0.000 0.245 275 I C 2.727 178.254 176.117 -0.984 0.000 1.104 275 I CA 1.092 62.019 61.300 -0.621 0.000 1.397 275 I CB -0.385 37.256 38.000 -0.599 0.000 1.072 275 I HN 0.161 nan 8.210 nan 0.000 0.417 276 A N 0.825 123.083 122.820 -0.938 0.000 1.969 276 A HA -0.063 4.260 4.320 0.004 0.000 0.218 276 A C 2.396 179.366 177.584 -1.024 0.000 1.169 276 A CA 1.675 52.774 52.037 -1.563 0.000 0.635 276 A CB -1.303 16.886 19.000 -1.353 0.000 0.810 276 A HN 0.453 nan 8.150 nan 0.000 0.445 277 G N -0.311 108.006 108.800 -0.805 0.000 2.433 277 G HA2 0.023 3.986 3.960 0.004 0.000 0.216 277 G HA3 0.023 3.986 3.960 0.004 0.000 0.216 277 G C 1.572 175.886 174.900 -0.977 0.000 1.186 277 G CA 1.234 45.370 45.100 -1.606 0.000 0.779 277 G HN 0.671 nan 8.290 nan 0.000 0.543 278 G N -0.185 108.189 108.800 -0.709 0.000 2.446 278 G HA2 -0.197 3.765 3.960 0.004 0.000 0.217 278 G HA3 -0.197 3.765 3.960 0.004 0.000 0.217 278 G C 1.388 176.152 174.900 -0.228 0.000 1.168 278 G CA 0.847 45.824 45.100 -0.204 0.000 0.771 278 G HN 0.664 nan 8.290 nan 0.000 0.551 279 H N -0.151 118.404 119.070 -0.859 0.000 2.555 279 H HA 0.151 4.709 4.556 0.005 0.000 0.283 279 H C 1.759 176.565 175.328 -0.869 0.000 1.037 279 H CA 0.025 55.224 56.048 -1.415 0.000 1.169 279 H CB 0.385 28.898 29.762 -2.082 0.000 1.375 279 H HN 0.233 nan 8.280 nan 0.000 0.582 280 T N 0.253 114.465 114.554 -0.570 0.000 3.055 280 T HA 0.002 4.355 4.350 0.004 0.000 0.265 280 T C 0.007 174.363 174.700 -0.574 0.000 1.111 280 T CA 0.755 62.504 62.100 -0.585 0.000 1.118 280 T CB 0.049 68.380 68.868 -0.896 0.000 0.909 280 T HN 0.098 nan 8.240 nan 0.000 0.501 281 F N 0.013 119.960 119.950 -0.006 0.000 2.546 281 F HA 0.594 5.123 4.527 0.004 0.000 0.320 281 F C 1.154 177.095 175.800 0.236 0.000 1.076 281 F CA -0.590 57.452 58.000 0.069 0.000 0.928 281 F CB 1.495 40.516 39.000 0.035 0.000 1.189 281 F HN 0.197 nan 8.300 nan 0.000 0.465 282 G N 2.300 111.318 108.800 0.363 0.000 2.562 282 G HA2 -0.053 3.909 3.960 0.004 0.000 0.250 282 G HA3 -0.053 3.909 3.960 0.004 0.000 0.250 282 G C -1.083 174.072 174.900 0.425 0.000 1.269 282 G CA 0.002 45.346 45.100 0.407 0.000 0.919 282 G HN 1.078 nan 8.290 nan 0.000 0.574 283 K N -1.963 118.636 120.400 0.331 0.000 2.615 283 K HA 0.710 5.033 4.320 0.004 0.000 0.291 283 K C -0.080 176.356 176.600 -0.272 0.000 1.017 283 K CA -0.187 56.011 56.287 -0.147 0.000 0.882 283 K CB 1.097 33.519 32.500 -0.130 0.000 1.522 283 K HN 1.414 nan 8.250 nan 0.000 0.412 284 T N -1.485 112.738 114.554 -0.552 0.000 2.849 284 T HA 0.468 4.821 4.350 0.004 0.000 0.276 284 T C -0.680 173.569 174.700 -0.753 0.000 0.971 284 T CA -0.361 61.496 62.100 -0.405 0.000 0.949 284 T CB 0.528 69.241 68.868 -0.258 0.000 1.093 284 T HN 0.659 nan 8.240 nan 0.000 0.545 285 H N -1.399 117.648 119.070 -0.038 0.000 2.924 285 H HA 0.603 5.161 4.556 0.004 0.000 0.333 285 H C 0.257 175.557 175.328 -0.046 0.000 0.979 285 H CA -0.580 55.451 56.048 -0.029 0.000 1.326 285 H CB 1.636 31.420 29.762 0.038 0.000 1.600 285 H HN 1.045 nan 8.280 nan 0.000 0.520 286 G N 1.223 110.010 108.800 -0.021 0.000 4.876 286 G HA2 0.399 4.362 3.960 0.004 0.000 0.219 286 G HA3 0.399 4.362 3.960 0.004 0.000 0.219 286 G C 0.754 175.584 174.900 -0.116 0.000 0.877 286 G CA 0.145 45.205 45.100 -0.067 0.000 0.718 286 G HN 0.713 nan 8.290 nan 0.000 0.518 287 A N -0.401 122.363 122.820 -0.095 0.000 2.119 287 A HA 0.646 4.969 4.320 0.004 0.000 0.216 287 A C 1.369 178.720 177.584 -0.388 0.000 1.152 287 A CA 1.345 53.322 52.037 -0.100 0.000 0.708 287 A CB 0.146 19.197 19.000 0.085 0.000 0.805 287 A HN 1.260 nan 8.150 nan 0.000 0.460 288 G N -2.099 106.312 108.800 -0.648 0.000 2.663 288 G HA2 0.511 4.474 3.960 0.004 0.000 0.299 288 G HA3 0.511 4.474 3.960 0.004 0.000 0.299 288 G C -3.529 171.055 174.900 -0.526 0.000 1.372 288 G CA -1.138 43.347 45.100 -1.025 0.000 0.781 288 G HN -0.105 nan 8.290 nan 0.000 0.491 289 P HA 0.304 nan 4.420 nan 0.000 0.271 289 P C 0.726 177.953 177.300 -0.121 0.000 1.216 289 P CA 0.436 63.426 63.100 -0.184 0.000 0.776 289 P CB 1.414 33.047 31.700 -0.111 0.000 0.881 290 A N 2.782 125.558 122.820 -0.074 0.000 2.070 290 A HA -0.156 4.166 4.320 0.004 0.000 0.220 290 A C 2.031 179.620 177.584 0.008 0.000 1.159 290 A CA 1.943 53.964 52.037 -0.026 0.000 0.656 290 A CB -1.517 17.473 19.000 -0.017 0.000 0.800 290 A HN 0.594 nan 8.150 nan 0.000 0.453 291 S N 0.434 116.134 115.700 -0.000 0.000 2.469 291 S HA -0.156 4.316 4.470 0.004 0.000 0.238 291 S C 1.463 176.087 174.600 0.041 0.000 0.998 291 S CA 1.140 59.352 58.200 0.021 0.000 0.957 291 S CB -0.682 62.525 63.200 0.012 0.000 0.764 291 S HN 0.628 nan 8.310 nan 0.000 0.514 292 N N 1.127 119.855 118.700 0.047 0.000 2.453 292 N HA 0.042 4.784 4.740 0.004 0.000 0.183 292 N C -0.146 175.425 175.510 0.103 0.000 1.041 292 N CA 0.463 53.566 53.050 0.087 0.000 0.900 292 N CB -0.029 38.536 38.487 0.131 0.000 0.961 292 N HN 0.316 nan 8.380 nan 0.000 0.443 293 V N 1.054 121.029 119.914 0.101 0.000 2.432 293 V HA 0.345 4.468 4.120 0.004 0.000 0.275 293 V C 1.101 177.272 176.094 0.129 0.000 1.043 293 V CA -0.627 61.760 62.300 0.144 0.000 0.925 293 V CB 1.098 33.022 31.823 0.168 0.000 0.985 293 V HN 0.090 nan 8.190 nan 0.000 0.466 294 G N 3.132 111.999 108.800 0.111 0.000 2.509 294 G HA2 0.581 4.544 3.960 0.004 0.000 0.269 294 G HA3 0.581 4.544 3.960 0.004 0.000 0.269 294 G C 0.195 175.082 174.900 -0.022 0.000 1.416 294 G CA -0.182 44.944 45.100 0.043 0.000 1.052 294 G HN 1.055 nan 8.290 nan 0.000 0.542 295 A N 0.080 122.841 122.820 -0.099 0.000 2.540 295 A HA 0.394 4.717 4.320 0.004 0.000 0.239 295 A C 0.983 178.282 177.584 -0.475 0.000 1.061 295 A CA -0.055 51.859 52.037 -0.206 0.000 0.758 295 A CB -0.074 18.828 19.000 -0.163 0.000 0.991 295 A HN 0.716 nan 8.150 nan 0.000 0.502 296 E N 2.966 122.777 120.200 -0.647 0.000 2.425 296 E HA 0.042 4.394 4.350 0.004 0.000 0.258 296 E C -2.144 173.936 176.600 -0.867 0.000 1.151 296 E CA -1.060 54.586 56.400 -1.258 0.000 0.958 296 E CB -0.408 28.801 29.700 -0.818 0.000 0.968 296 E HN 0.337 nan 8.360 nan 0.000 0.451 297 P HA -0.165 nan 4.420 nan 0.000 0.215 297 P C 0.988 178.089 177.300 -0.330 0.000 1.157 297 P CA 1.407 64.181 63.100 -0.544 0.000 0.874 297 P CB 0.167 31.582 31.700 -0.475 0.000 0.790 298 E N -1.096 118.944 120.200 -0.266 0.000 2.409 298 E HA -0.035 4.317 4.350 0.004 0.000 0.198 298 E C 1.664 178.194 176.600 -0.116 0.000 1.024 298 E CA 0.864 57.179 56.400 -0.141 0.000 0.861 298 E CB -0.403 29.255 29.700 -0.069 0.000 0.788 298 E HN 0.216 nan 8.360 nan 0.000 0.521 299 A N 0.442 123.167 122.820 -0.159 0.000 2.252 299 A HA 0.429 4.752 4.320 0.004 0.000 0.213 299 A C 1.271 178.777 177.584 -0.130 0.000 1.188 299 A CA 0.388 52.355 52.037 -0.117 0.000 0.863 299 A CB 0.225 19.163 19.000 -0.103 0.000 0.893 299 A HN 0.150 nan 8.150 nan 0.000 0.495 300 A N 0.073 122.787 122.820 -0.176 0.000 2.346 300 A HA 0.533 4.855 4.320 0.004 0.000 0.252 300 A C 0.980 178.498 177.584 -0.109 0.000 1.089 300 A CA 0.197 52.141 52.037 -0.154 0.000 0.797 300 A CB -0.417 18.464 19.000 -0.199 0.000 1.047 300 A HN 0.842 nan 8.150 nan 0.000 0.494 301 G N -0.816 107.931 108.800 -0.088 0.000 2.594 301 G HA2 0.342 4.305 3.960 0.004 0.000 0.243 301 G HA3 0.342 4.305 3.960 0.004 0.000 0.243 301 G C 0.898 175.754 174.900 -0.074 0.000 1.229 301 G CA -0.033 45.026 45.100 -0.069 0.000 0.843 301 G HN 0.826 nan 8.290 nan 0.000 0.578 302 I N 0.326 120.859 120.570 -0.062 0.000 2.248 302 I HA -0.196 3.976 4.170 0.004 0.000 0.248 302 I C 2.829 178.906 176.117 -0.067 0.000 1.107 302 I CA 1.864 63.126 61.300 -0.063 0.000 1.373 302 I CB 0.054 38.025 38.000 -0.049 0.000 1.055 302 I HN 0.757 nan 8.210 nan 0.000 0.418 303 E N 1.402 121.567 120.200 -0.059 0.000 2.401 303 E HA -0.193 4.160 4.350 0.004 0.000 0.199 303 E C 1.777 178.332 176.600 -0.074 0.000 1.023 303 E CA 1.183 57.547 56.400 -0.059 0.000 0.859 303 E CB -0.430 29.244 29.700 -0.044 0.000 0.780 303 E HN 0.549 nan 8.360 nan 0.000 0.523 304 A N 0.930 123.699 122.820 -0.085 0.000 2.168 304 A HA -0.107 4.215 4.320 0.004 0.000 0.215 304 A C 0.872 178.378 177.584 -0.130 0.000 1.152 304 A CA 0.576 52.550 52.037 -0.104 0.000 0.716 304 A CB -0.216 18.715 19.000 -0.115 0.000 0.794 304 A HN 0.196 nan 8.150 nan 0.000 0.465 305 Q N -2.364 117.362 119.800 -0.123 0.000 2.451 305 Q HA -0.258 4.084 4.340 0.004 0.000 0.305 305 Q C 0.946 176.845 176.000 -0.168 0.000 1.345 305 Q CA 1.242 56.962 55.803 -0.138 0.000 0.854 305 Q CB -2.333 26.320 28.738 -0.141 0.000 1.162 305 Q HN 1.744 nan 8.270 nan 0.000 0.440 306 G N -1.656 107.046 108.800 -0.164 0.000 2.195 306 G HA2 -0.298 3.665 3.960 0.004 0.000 0.246 306 G HA3 -0.298 3.665 3.960 0.004 0.000 0.246 306 G C 0.248 175.027 174.900 -0.202 0.000 0.984 306 G CA 0.354 45.342 45.100 -0.186 0.000 0.633 306 G HN 0.323 nan 8.290 nan 0.000 0.525 307 L N -0.190 120.918 121.223 -0.192 0.000 2.376 307 L HA 0.837 5.179 4.340 0.004 0.000 0.267 307 L C 1.068 177.806 176.870 -0.219 0.000 1.035 307 L CA -0.308 54.424 54.840 -0.179 0.000 0.800 307 L CB 1.559 43.526 42.059 -0.152 0.000 1.290 307 L HN 0.361 nan 8.230 nan 0.000 0.462 308 G N -2.658 106.014 108.800 -0.214 0.000 2.706 308 G HA2 0.327 4.290 3.960 0.004 0.000 0.307 308 G HA3 0.327 4.290 3.960 0.004 0.000 0.307 308 G C -1.457 173.399 174.900 -0.073 0.000 1.307 308 G CA -0.535 44.353 45.100 -0.354 0.000 0.790 308 G HN 0.683 nan 8.290 nan 0.000 0.503 309 W N 0.343 121.593 121.300 -0.083 0.000 5.538 309 W HA -0.169 4.493 4.660 0.004 0.000 0.377 309 W C 0.753 177.266 176.519 -0.010 0.000 1.406 309 W CA 0.940 58.253 57.345 -0.054 0.000 0.940 309 W CB -1.057 28.355 29.460 -0.079 0.000 2.536 309 W HN 0.588 nan 8.180 nan 0.000 1.504 310 K N 1.504 121.982 120.400 0.130 0.000 2.484 310 K HA 0.183 4.505 4.320 0.004 0.000 0.280 310 K C 0.569 177.260 176.600 0.151 0.000 1.013 310 K CA 0.513 56.879 56.287 0.133 0.000 1.029 310 K CB 0.670 33.210 32.500 0.066 0.000 0.902 310 K HN -0.013 nan 8.250 nan 0.000 0.481 311 S N 2.687 118.496 115.700 0.181 0.000 2.501 311 S HA 0.514 4.986 4.470 0.004 0.000 0.301 311 S C 0.256 174.938 174.600 0.137 0.000 1.096 311 S CA -0.435 57.868 58.200 0.172 0.000 1.063 311 S CB 1.656 64.986 63.200 0.216 0.000 1.042 311 S HN 0.671 nan 8.310 nan 0.000 0.494 312 A N 3.737 126.633 122.820 0.127 0.000 2.275 312 A HA 0.237 4.559 4.320 0.004 0.000 0.212 312 A C 0.084 177.735 177.584 0.111 0.000 1.201 312 A CA -0.054 52.038 52.037 0.092 0.000 0.843 312 A CB -0.365 18.683 19.000 0.080 0.000 0.873 312 A HN 0.835 nan 8.150 nan 0.000 0.492 313 Y N 2.326 122.641 120.300 0.026 0.000 2.539 313 Y HA 0.382 4.934 4.550 0.004 0.000 0.352 313 Y C 0.966 176.860 175.900 -0.009 0.000 1.004 313 Y CA -0.564 57.540 58.100 0.007 0.000 1.278 313 Y CB -0.390 38.075 38.460 0.008 0.000 1.136 313 Y HN 0.551 nan 8.280 nan 0.000 0.528 314 R N 0.557 120.730 120.500 -0.545 0.000 3.853 314 R HA -0.320 4.022 4.340 0.004 0.000 0.440 314 R C 1.471 177.636 176.300 -0.224 0.000 0.241 314 R CA 2.257 58.082 56.100 -0.458 0.000 1.395 314 R CB -1.739 28.146 30.300 -0.691 0.000 0.984 314 R HN 0.749 nan 8.270 nan 0.000 0.570 315 T N -0.724 113.708 114.554 -0.204 0.000 3.118 315 T HA 0.197 4.549 4.350 0.004 0.000 0.260 315 T C 1.417 176.084 174.700 -0.055 0.000 1.139 315 T CA 1.264 63.290 62.100 -0.122 0.000 1.085 315 T CB 0.239 69.013 68.868 -0.156 0.000 0.934 315 T HN 1.272 nan 8.240 nan 0.000 0.518 316 G N 1.900 110.682 108.800 -0.030 0.000 2.162 316 G HA2 -0.274 3.688 3.960 0.004 0.000 0.260 316 G HA3 -0.274 3.688 3.960 0.004 0.000 0.260 316 G C -0.049 174.906 174.900 0.092 0.000 0.976 316 G CA 0.674 45.827 45.100 0.088 0.000 0.655 316 G HN 1.032 nan 8.290 nan 0.000 0.533 317 K N -2.305 118.026 120.400 -0.115 0.000 2.571 317 K HA 0.676 4.998 4.320 0.004 0.000 0.289 317 K C 1.106 177.344 176.600 -0.604 0.000 1.028 317 K CA -0.135 55.882 56.287 -0.450 0.000 0.895 317 K CB 0.954 33.273 32.500 -0.301 0.000 1.534 317 K HN 1.714 nan 8.250 nan 0.000 0.421 318 G N 0.676 108.947 108.800 -0.882 0.000 2.622 318 G HA2 -0.434 3.529 3.960 0.004 0.000 0.307 318 G HA3 -0.434 3.529 3.960 0.004 0.000 0.307 318 G C 1.077 175.492 174.900 -0.808 0.000 1.226 318 G CA 1.723 46.260 45.100 -0.939 0.000 0.997 318 G HN 1.317 nan 8.290 nan 0.000 0.551 319 A N -0.956 121.134 122.820 -1.216 0.000 2.084 319 A HA 0.052 4.374 4.320 0.004 0.000 0.221 319 A C 1.807 179.269 177.584 -0.204 0.000 1.161 319 A CA 2.570 54.292 52.037 -0.526 0.000 0.653 319 A CB -0.316 18.395 19.000 -0.480 0.000 0.802 319 A HN 0.598 nan 8.150 nan 0.000 0.457 320 D N -0.439 119.828 120.400 -0.220 0.000 2.340 320 D HA 0.346 4.989 4.640 0.004 0.000 0.217 320 D C 0.704 177.053 176.300 0.082 0.000 1.081 320 D CA 0.602 54.598 54.000 -0.007 0.000 0.842 320 D CB -0.012 40.732 40.800 -0.093 0.000 0.934 320 D HN 0.434 nan 8.370 nan 0.000 0.511 321 A N 0.807 123.605 122.820 -0.036 0.000 2.483 321 A HA 0.357 4.679 4.320 0.004 0.000 0.238 321 A C 0.198 177.875 177.584 0.156 0.000 1.070 321 A CA 0.250 52.306 52.037 0.031 0.000 0.770 321 A CB 0.207 19.143 19.000 -0.106 0.000 1.008 321 A HN 0.170 nan 8.150 nan 0.000 0.497 322 I N 2.064 122.743 120.570 0.182 0.000 2.468 322 I HA 0.315 4.488 4.170 0.004 0.000 0.285 322 I C 0.435 176.619 176.117 0.112 0.000 1.039 322 I CA -0.194 61.179 61.300 0.122 0.000 1.074 322 I CB 2.244 40.279 38.000 0.058 0.000 1.228 322 I HN 0.783 nan 8.210 nan 0.000 0.436 323 T N 1.244 115.852 114.554 0.091 0.000 3.447 323 T HA -0.018 4.335 4.350 0.004 0.000 0.218 323 T C 1.552 176.217 174.700 -0.058 0.000 0.972 323 T CA 0.792 62.878 62.100 -0.025 0.000 1.264 323 T CB 0.045 68.943 68.868 0.051 0.000 1.284 323 T HN 0.614 nan 8.240 nan 0.000 0.361 324 S N 0.474 116.180 115.700 0.010 0.000 2.470 324 S HA 0.368 4.840 4.470 0.004 0.000 0.225 324 S C 1.924 176.518 174.600 -0.011 0.000 1.006 324 S CA 1.058 59.258 58.200 0.000 0.000 0.934 324 S CB -0.048 63.180 63.200 0.048 0.000 0.778 324 S HN 1.020 nan 8.310 nan 0.000 0.517 325 G N 0.659 109.450 108.800 -0.016 0.000 2.234 325 G HA2 -0.210 3.753 3.960 0.004 0.000 0.235 325 G HA3 -0.210 3.753 3.960 0.004 0.000 0.235 325 G C -0.072 174.793 174.900 -0.060 0.000 0.997 325 G CA 0.152 45.225 45.100 -0.046 0.000 0.623 325 G HN 0.507 nan 8.290 nan 0.000 0.514 326 L N 0.349 121.544 121.223 -0.046 0.000 2.379 326 L HA 0.737 5.080 4.340 0.004 0.000 0.269 326 L C 0.405 177.195 176.870 -0.132 0.000 1.084 326 L CA -0.643 54.152 54.840 -0.075 0.000 0.802 326 L CB 1.547 43.582 42.059 -0.041 0.000 1.175 326 L HN 0.138 nan 8.230 nan 0.000 0.448 327 E N 1.636 121.734 120.200 -0.170 0.000 2.873 327 E HA 0.442 4.794 4.350 0.004 0.000 0.232 327 E C -1.751 174.675 176.600 -0.290 0.000 1.123 327 E CA -0.174 56.086 56.400 -0.233 0.000 0.809 327 E CB 0.963 30.546 29.700 -0.194 0.000 1.366 327 E HN 0.226 nan 8.360 nan 0.000 0.400 328 V N 2.610 122.273 119.914 -0.418 0.000 2.709 328 V HA 0.598 4.721 4.120 0.004 0.000 0.308 328 V C -0.407 175.213 176.094 -0.788 0.000 1.062 328 V CA -0.691 61.272 62.300 -0.561 0.000 0.901 328 V CB 2.400 33.837 31.823 -0.645 0.000 1.003 328 V HN 0.550 nan 8.190 nan 0.000 0.425 329 T N 4.076 118.269 114.554 -0.600 0.000 2.840 329 T HA 0.316 4.669 4.350 0.004 0.000 0.287 329 T C 0.323 174.829 174.700 -0.322 0.000 0.991 329 T CA -0.401 61.421 62.100 -0.464 0.000 0.964 329 T CB 1.116 69.915 68.868 -0.115 0.000 0.954 329 T HN 0.725 nan 8.240 nan 0.000 0.438 330 W N 2.517 123.811 121.300 -0.011 0.000 2.523 330 W HA 0.063 4.726 4.660 0.005 0.000 0.278 330 W C 1.340 177.855 176.519 -0.007 0.000 1.236 330 W CA 0.371 57.718 57.345 0.003 0.000 1.306 330 W CB -0.161 29.363 29.460 0.106 0.000 1.101 330 W HN 0.618 nan 8.180 nan 0.000 0.577 331 T N -3.786 110.884 114.554 0.194 0.000 2.887 331 T HA 0.275 4.627 4.350 0.004 0.000 0.292 331 T C 0.918 175.622 174.700 0.007 0.000 1.087 331 T CA 0.005 62.151 62.100 0.077 0.000 1.009 331 T CB 2.173 71.038 68.868 -0.004 0.000 1.203 331 T HN -0.071 nan 8.240 nan 0.000 0.518 332 T N -1.575 112.978 114.554 -0.003 0.000 3.118 332 T HA 0.138 4.490 4.350 0.004 0.000 0.260 332 T C 0.920 175.579 174.700 -0.067 0.000 1.139 332 T CA 0.790 62.882 62.100 -0.014 0.000 1.085 332 T CB -0.791 68.081 68.868 0.007 0.000 0.934 332 T HN 1.054 nan 8.240 nan 0.000 0.518 333 T N -0.978 113.506 114.554 -0.116 0.000 3.209 333 T HA 0.485 4.837 4.350 0.004 0.000 0.366 333 T C -2.776 171.786 174.700 -0.230 0.000 1.293 333 T CA -1.453 60.553 62.100 -0.158 0.000 1.417 333 T CB 1.646 70.447 68.868 -0.111 0.000 1.013 333 T HN -0.133 nan 8.240 nan 0.000 0.572 334 P HA 0.036 nan 4.420 nan 0.000 0.237 334 P C 1.251 178.397 177.300 -0.257 0.000 1.178 334 P CA 0.694 63.546 63.100 -0.413 0.000 0.766 334 P CB 0.069 31.195 31.700 -0.955 0.000 0.876 335 T N -5.223 109.182 114.554 -0.249 0.000 3.228 335 T HA 0.327 4.680 4.350 0.004 0.000 0.278 335 T C 0.225 174.916 174.700 -0.015 0.000 1.014 335 T CA -0.337 61.675 62.100 -0.146 0.000 0.904 335 T CB -0.301 68.432 68.868 -0.225 0.000 1.110 335 T HN -0.000 nan 8.240 nan 0.000 0.541 336 Q N 0.482 120.318 119.800 0.060 0.000 2.315 336 Q HA 0.318 4.660 4.340 0.004 0.000 0.273 336 Q C -1.315 174.772 176.000 0.145 0.000 1.053 336 Q CA -0.921 54.972 55.803 0.151 0.000 0.817 336 Q CB 2.063 30.833 28.738 0.054 0.000 1.326 336 Q HN 0.557 nan 8.270 nan 0.000 0.423 337 W N 3.317 124.713 121.300 0.161 0.000 2.257 337 W HA 0.214 4.877 4.660 0.004 0.000 0.337 337 W C -0.593 175.873 176.519 -0.089 0.000 1.321 337 W CA 1.019 58.371 57.345 0.012 0.000 1.267 337 W CB 0.703 30.339 29.460 0.292 0.000 1.187 337 W HN 0.765 nan 8.180 nan 0.000 0.565 338 S N 3.241 118.299 115.700 -1.069 0.000 2.643 338 S HA 0.327 4.800 4.470 0.004 0.000 0.270 338 S C -0.872 173.217 174.600 -0.853 0.000 1.166 338 S CA -0.902 56.812 58.200 -0.810 0.000 0.815 338 S CB 1.716 64.660 63.200 -0.427 0.000 1.139 338 S HN 0.633 nan 8.310 nan 0.000 0.472 339 H N 0.348 119.226 119.070 -0.320 0.000 2.488 339 H HA 0.415 4.973 4.556 0.004 0.000 0.294 339 H C 1.321 176.653 175.328 0.006 0.000 1.088 339 H CA -0.315 55.680 56.048 -0.088 0.000 1.086 339 H CB 0.032 29.849 29.762 0.091 0.000 1.569 339 H HN 0.628 nan 8.280 nan 0.000 0.548 340 N N 0.564 119.260 118.700 -0.006 0.000 2.446 340 N HA -0.111 4.632 4.740 0.004 0.000 0.179 340 N C 1.395 176.932 175.510 0.044 0.000 1.054 340 N CA 0.129 53.200 53.050 0.034 0.000 0.905 340 N CB 0.153 38.630 38.487 -0.016 0.000 0.973 340 N HN 0.279 nan 8.380 nan 0.000 0.448 341 F N 0.856 120.695 119.950 -0.185 0.000 2.102 341 F HA -0.108 4.422 4.527 0.004 0.000 0.298 341 F C 1.533 177.167 175.800 -0.277 0.000 1.105 341 F CA 1.620 59.447 58.000 -0.288 0.000 1.239 341 F CB -0.402 38.258 39.000 -0.566 0.000 0.991 341 F HN -0.038 nan 8.300 nan 0.000 0.474 342 F N 0.487 120.459 119.950 0.037 0.000 2.367 342 F HA -0.063 4.466 4.527 0.004 0.000 0.298 342 F C 2.269 177.901 175.800 -0.280 0.000 1.094 342 F CA 0.869 58.787 58.000 -0.137 0.000 1.409 342 F CB -0.425 38.573 39.000 -0.003 0.000 1.064 342 F HN -0.020 nan 8.300 nan 0.000 0.528 343 E N 0.441 120.680 120.200 0.064 0.000 2.058 343 E HA -0.221 4.132 4.350 0.004 0.000 0.194 343 E C 1.780 178.390 176.600 0.016 0.000 0.997 343 E CA 1.389 57.818 56.400 0.049 0.000 0.801 343 E CB -0.212 29.578 29.700 0.149 0.000 0.746 343 E HN 0.366 nan 8.360 nan 0.000 0.450 344 N N 0.779 119.516 118.700 0.062 0.000 2.142 344 N HA -0.137 4.605 4.740 0.004 0.000 0.186 344 N C 1.869 177.571 175.510 0.319 0.000 1.023 344 N CA 0.622 53.829 53.050 0.261 0.000 0.852 344 N CB -0.396 38.276 38.487 0.308 0.000 0.998 344 N HN 0.076 nan 8.380 nan 0.000 0.424 345 L N -0.036 121.139 121.223 -0.080 0.000 2.042 345 L HA -0.016 4.326 4.340 0.004 0.000 0.210 345 L C 1.567 178.386 176.870 -0.084 0.000 1.076 345 L CA 1.603 56.311 54.840 -0.221 0.000 0.749 345 L CB -0.526 41.093 42.059 -0.733 0.000 0.893 345 L HN 0.057 nan 8.230 nan 0.000 0.432 346 F N -1.512 118.416 119.950 -0.038 0.000 2.698 346 F HA 0.205 4.735 4.527 0.004 0.000 0.295 346 F C 2.223 177.975 175.800 -0.080 0.000 1.124 346 F CA 0.419 58.375 58.000 -0.072 0.000 1.426 346 F CB -0.322 38.566 39.000 -0.186 0.000 1.120 346 F HN 0.136 nan 8.300 nan 0.000 0.583 347 G N -1.180 107.630 108.800 0.016 0.000 2.712 347 G HA2 -0.011 3.951 3.960 0.004 0.000 0.212 347 G HA3 -0.011 3.951 3.960 0.004 0.000 0.212 347 G C -0.214 174.345 174.900 -0.568 0.000 1.142 347 G CA 0.361 45.293 45.100 -0.280 0.000 0.789 347 G HN 0.246 nan 8.290 nan 0.000 0.535 348 Y N -0.374 119.837 120.300 -0.149 0.000 2.545 348 Y HA 0.494 5.046 4.550 0.004 0.000 0.348 348 Y C -0.088 175.490 175.900 -0.536 0.000 1.002 348 Y CA -1.339 56.503 58.100 -0.431 0.000 1.039 348 Y CB 1.582 39.524 38.460 -0.863 0.000 1.271 348 Y HN -0.158 nan 8.280 nan 0.000 0.467 349 E N 0.896 120.939 120.200 -0.262 0.000 2.283 349 E HA 0.199 4.552 4.350 0.004 0.000 0.271 349 E C -1.530 174.821 176.600 -0.414 0.000 1.031 349 E CA -0.487 55.791 56.400 -0.203 0.000 0.868 349 E CB 1.334 31.036 29.700 0.004 0.000 1.094 349 E HN 0.578 nan 8.360 nan 0.000 0.401 350 W N 0.687 122.106 121.300 0.197 0.000 2.632 350 W HA 0.320 4.982 4.660 0.004 0.000 0.328 350 W C 0.322 177.075 176.519 0.390 0.000 1.044 350 W CA -0.636 56.863 57.345 0.258 0.000 1.225 350 W CB 1.370 30.938 29.460 0.180 0.000 1.396 350 W HN 0.376 nan 8.180 nan 0.000 0.499 351 E N 2.855 123.418 120.200 0.605 0.000 2.199 351 E HA 0.421 4.774 4.350 0.004 0.000 0.269 351 E C -1.498 175.210 176.600 0.178 0.000 0.899 351 E CA -1.072 55.545 56.400 0.361 0.000 0.772 351 E CB 1.777 31.564 29.700 0.146 0.000 1.155 351 E HN 0.491 nan 8.360 nan 0.000 0.408 352 L N 3.740 124.782 121.223 -0.302 0.000 2.380 352 L HA 0.355 4.698 4.340 0.004 0.000 0.273 352 L C -0.277 176.351 176.870 -0.405 0.000 1.138 352 L CA 0.887 55.191 54.840 -0.894 0.000 0.832 352 L CB 1.313 42.771 42.059 -1.002 0.000 1.124 352 L HN 0.681 nan 8.230 nan 0.000 0.454 353 T N 3.688 118.016 114.554 -0.376 0.000 2.696 353 T HA 0.545 4.897 4.350 0.004 0.000 0.291 353 T C -1.228 173.378 174.700 -0.156 0.000 1.095 353 T CA -0.737 61.253 62.100 -0.184 0.000 1.026 353 T CB 1.080 69.887 68.868 -0.101 0.000 1.390 353 T HN 0.634 nan 8.240 nan 0.000 0.513 354 K N 1.188 121.518 120.400 -0.116 0.000 2.318 354 K HA 0.616 4.939 4.320 0.004 0.000 0.249 354 K C -0.149 176.385 176.600 -0.109 0.000 0.942 354 K CA -0.798 55.414 56.287 -0.124 0.000 0.808 354 K CB 1.880 34.301 32.500 -0.131 0.000 1.189 354 K HN 0.732 nan 8.250 nan 0.000 0.428 355 S N 1.060 116.691 115.700 -0.115 0.000 2.641 355 S HA 0.212 4.684 4.470 0.004 0.000 0.261 355 S C -1.830 172.701 174.600 -0.114 0.000 1.257 355 S CA -0.943 57.190 58.200 -0.112 0.000 0.983 355 S CB 0.463 63.594 63.200 -0.115 0.000 0.990 355 S HN 0.345 nan 8.310 nan 0.000 0.572 356 P HA 0.120 nan 4.420 nan 0.000 0.225 356 P C 0.782 177.989 177.300 -0.155 0.000 1.148 356 P CA 1.190 64.213 63.100 -0.127 0.000 0.779 356 P CB -0.209 31.412 31.700 -0.132 0.000 0.780 357 A N -1.106 121.622 122.820 -0.153 0.000 2.275 357 A HA 0.512 4.835 4.320 0.004 0.000 0.212 357 A C 1.623 179.131 177.584 -0.128 0.000 1.201 357 A CA 0.646 52.593 52.037 -0.149 0.000 0.843 357 A CB -0.868 18.053 19.000 -0.132 0.000 0.873 357 A HN 0.227 nan 8.150 nan 0.000 0.492 358 G N -2.033 106.687 108.800 -0.134 0.000 2.159 358 G HA2 0.135 4.098 3.960 0.004 0.000 0.227 358 G HA3 0.135 4.098 3.960 0.004 0.000 0.227 358 G C 0.359 175.130 174.900 -0.215 0.000 0.986 358 G CA 0.156 45.163 45.100 -0.154 0.000 0.651 358 G HN 1.515 nan 8.290 nan 0.000 0.523 359 A N 0.696 123.406 122.820 -0.182 0.000 2.316 359 A HA 0.684 5.006 4.320 0.004 0.000 0.284 359 A C 0.386 177.854 177.584 -0.194 0.000 1.115 359 A CA -0.513 51.407 52.037 -0.194 0.000 0.812 359 A CB 0.310 19.255 19.000 -0.091 0.000 1.064 359 A HN 0.410 nan 8.150 nan 0.000 0.489 360 H N 1.514 120.538 119.070 -0.076 0.000 2.803 360 H HA 0.308 4.867 4.556 0.004 0.000 0.330 360 H C 0.339 175.597 175.328 -0.117 0.000 1.057 360 H CA 0.888 56.855 56.048 -0.136 0.000 1.458 360 H CB 0.600 30.294 29.762 -0.113 0.000 1.470 360 H HN 0.790 nan 8.280 nan 0.000 0.560 361 Q N 1.600 121.339 119.800 -0.101 0.000 2.832 361 Q HA 0.406 4.748 4.340 0.004 0.000 0.322 361 Q C -1.705 174.139 176.000 -0.261 0.000 0.842 361 Q CA -1.098 54.687 55.803 -0.031 0.000 0.780 361 Q CB 1.726 30.474 28.738 0.017 0.000 1.411 361 Q HN 0.417 nan 8.270 nan 0.000 0.490 362 W N 0.291 121.610 121.300 0.032 0.000 2.915 362 W HA 0.733 5.396 4.660 0.005 0.000 0.337 362 W C -1.160 175.493 176.519 0.224 0.000 1.102 362 W CA -0.732 56.689 57.345 0.127 0.000 1.224 362 W CB 2.223 31.742 29.460 0.098 0.000 1.416 362 W HN 0.503 nan 8.180 nan 0.000 0.503 363 V N 2.518 122.736 119.914 0.507 0.000 2.823 363 V HA 0.843 4.965 4.120 0.004 0.000 0.312 363 V C -0.479 175.742 176.094 0.212 0.000 1.072 363 V CA -1.114 61.393 62.300 0.344 0.000 0.937 363 V CB 1.643 33.536 31.823 0.118 0.000 1.013 363 V HN 0.681 nan 8.190 nan 0.000 0.430 364 A N 5.809 128.509 122.820 -0.200 0.000 2.451 364 A HA 0.398 4.721 4.320 0.004 0.000 0.266 364 A C 0.267 177.606 177.584 -0.408 0.000 1.119 364 A CA -0.110 51.437 52.037 -0.817 0.000 0.786 364 A CB -0.224 17.941 19.000 -1.391 0.000 1.061 364 A HN 0.833 nan 8.150 nan 0.000 0.503 365 K N 1.615 121.845 120.400 -0.284 0.000 2.412 365 K HA 0.324 4.647 4.320 0.004 0.000 0.281 365 K C 1.217 177.765 176.600 -0.086 0.000 1.027 365 K CA 0.967 57.185 56.287 -0.116 0.000 0.989 365 K CB 0.418 32.883 32.500 -0.060 0.000 0.935 365 K HN 1.347 nan 8.250 nan 0.000 0.475 366 G N 1.418 110.182 108.800 -0.059 0.000 2.155 366 G HA2 -0.330 3.632 3.960 0.004 0.000 0.257 366 G HA3 -0.330 3.632 3.960 0.004 0.000 0.257 366 G C 0.220 175.108 174.900 -0.020 0.000 0.983 366 G CA 0.345 45.429 45.100 -0.026 0.000 0.676 366 G HN 0.816 nan 8.290 nan 0.000 0.528 367 A N -0.295 122.470 122.820 -0.092 0.000 2.322 367 A HA 0.600 4.922 4.320 0.004 0.000 0.269 367 A C 0.421 177.973 177.584 -0.054 0.000 1.094 367 A CA -0.053 51.932 52.037 -0.087 0.000 0.807 367 A CB 0.518 19.240 19.000 -0.465 0.000 1.047 367 A HN 0.255 nan 8.150 nan 0.000 0.487 368 D N 0.233 120.632 120.400 -0.002 0.000 2.377 368 D HA 0.417 5.059 4.640 0.004 0.000 0.245 368 D C 0.263 176.547 176.300 -0.028 0.000 1.196 368 D CA 0.477 54.472 54.000 -0.008 0.000 0.962 368 D CB 1.033 41.843 40.800 0.016 0.000 1.127 368 D HN 0.591 nan 8.370 nan 0.000 0.471 369 A N 0.850 123.653 122.820 -0.029 0.000 2.666 369 A HA 0.318 4.641 4.320 0.004 0.000 0.312 369 A C 0.944 178.515 177.584 -0.023 0.000 1.471 369 A CA -0.491 51.523 52.037 -0.038 0.000 1.134 369 A CB -0.585 18.374 19.000 -0.067 0.000 1.129 369 A HN 0.364 nan 8.150 nan 0.000 0.539 370 V N 0.391 120.305 119.914 0.000 0.000 3.605 370 V HA 0.353 4.476 4.120 0.004 0.000 0.284 370 V C 0.292 176.405 176.094 0.033 0.000 1.386 370 V CA -0.063 62.249 62.300 0.020 0.000 1.053 370 V CB -0.401 31.449 31.823 0.046 0.000 0.857 370 V HN 0.536 nan 8.190 nan 0.000 0.436 371 I N 4.080 124.680 120.570 0.050 0.000 2.331 371 I HA 0.486 4.659 4.170 0.004 0.000 0.292 371 I C -2.344 173.855 176.117 0.137 0.000 0.998 371 I CA -2.582 58.771 61.300 0.088 0.000 1.267 371 I CB 1.344 39.407 38.000 0.106 0.000 1.386 371 I HN 0.115 nan 8.210 nan 0.000 0.476 372 P HA 0.061 nan 4.420 nan 0.000 0.269 372 P C -0.574 176.944 177.300 0.363 0.000 1.215 372 P CA -0.150 63.073 63.100 0.206 0.000 0.780 372 P CB 0.945 32.767 31.700 0.203 0.000 0.898 373 D N 0.365 120.920 120.400 0.258 0.000 2.304 373 D HA 0.321 4.964 4.640 0.004 0.000 0.247 373 D C 1.275 177.544 176.300 -0.052 0.000 1.089 373 D CA -0.375 53.757 54.000 0.220 0.000 0.910 373 D CB 0.750 41.655 40.800 0.175 0.000 1.199 373 D HN 0.284 nan 8.370 nan 0.000 0.426 374 A N 2.357 124.905 122.820 -0.452 0.000 2.066 374 A HA 0.014 4.336 4.320 0.004 0.000 0.218 374 A C 1.073 177.963 177.584 -1.156 0.000 1.157 374 A CA 0.916 52.147 52.037 -1.344 0.000 0.670 374 A CB -0.327 17.860 19.000 -1.355 0.000 0.804 374 A HN 0.641 nan 8.150 nan 0.000 0.453 375 F N -1.816 117.989 119.950 -0.241 0.000 2.856 375 F HA 0.247 4.777 4.527 0.004 0.000 0.338 375 F C 0.088 175.838 175.800 -0.084 0.000 1.005 375 F CA -0.602 57.303 58.000 -0.159 0.000 1.155 375 F CB 0.763 39.666 39.000 -0.161 0.000 1.010 375 F HN 0.028 nan 8.300 nan 0.000 0.587 376 D N 1.663 122.122 120.400 0.099 0.000 2.414 376 D HA 0.276 4.918 4.640 0.004 0.000 0.232 376 D C -2.092 174.225 176.300 0.027 0.000 1.070 376 D CA -2.380 51.655 54.000 0.059 0.000 0.839 376 D CB 1.931 42.765 40.800 0.056 0.000 1.079 376 D HN -0.106 nan 8.370 nan 0.000 0.521 377 P HA -0.127 nan 4.420 nan 0.000 0.220 377 P C 1.097 178.396 177.300 -0.001 0.000 1.144 377 P CA 0.924 64.030 63.100 0.011 0.000 0.800 377 P CB 0.215 31.921 31.700 0.010 0.000 0.772 378 S N -2.495 113.201 115.700 -0.007 0.000 2.558 378 S HA 0.099 4.571 4.470 0.004 0.000 0.217 378 S C 0.730 175.302 174.600 -0.046 0.000 0.975 378 S CA -0.072 58.115 58.200 -0.021 0.000 0.912 378 S CB -0.467 62.724 63.200 -0.016 0.000 0.776 378 S HN 0.066 nan 8.310 nan 0.000 0.526 379 K N 1.264 121.628 120.400 -0.061 0.000 2.159 379 K HA 0.531 4.854 4.320 0.004 0.000 0.266 379 K C -0.530 175.927 176.600 -0.238 0.000 0.975 379 K CA -0.502 55.694 56.287 -0.151 0.000 0.865 379 K CB 1.419 33.843 32.500 -0.128 0.000 1.087 379 K HN 0.112 nan 8.250 nan 0.000 0.446 380 K N 1.558 121.742 120.400 -0.360 0.000 2.444 380 K HA 0.458 4.780 4.320 0.004 0.000 0.252 380 K C -0.896 175.372 176.600 -0.554 0.000 0.993 380 K CA -0.983 55.107 56.287 -0.328 0.000 0.847 380 K CB 1.947 34.372 32.500 -0.125 0.000 1.340 380 K HN 0.561 nan 8.250 nan 0.000 0.446 381 H N 0.772 119.839 119.070 -0.005 0.000 2.928 381 H HA 0.330 4.889 4.556 0.004 0.000 0.371 381 H C -0.381 174.924 175.328 -0.039 0.000 1.186 381 H CA -0.790 55.245 56.048 -0.023 0.000 1.134 381 H CB 1.708 31.456 29.762 -0.024 0.000 1.824 381 H HN 0.329 nan 8.280 nan 0.000 0.554 382 R N 1.266 121.806 120.500 0.067 0.000 2.641 382 R HA 0.195 4.537 4.340 0.004 0.000 0.269 382 R C -2.277 174.004 176.300 -0.032 0.000 1.074 382 R CA -1.479 54.600 56.100 -0.036 0.000 1.133 382 R CB -0.104 30.151 30.300 -0.075 0.000 1.029 382 R HN 0.290 nan 8.270 nan 0.000 0.488 383 P HA -0.038 nan 4.420 nan 0.000 0.264 383 P C -0.790 176.602 177.300 0.154 0.000 1.183 383 P CA 0.423 63.510 63.100 -0.021 0.000 0.763 383 P CB 0.692 32.301 31.700 -0.151 0.000 0.807 384 T N 0.112 114.763 114.554 0.162 0.000 2.896 384 T HA 0.825 5.178 4.350 0.004 0.000 0.297 384 T C -0.660 173.996 174.700 -0.073 0.000 1.108 384 T CA -0.876 61.317 62.100 0.155 0.000 1.004 384 T CB 1.270 70.119 68.868 -0.033 0.000 1.159 384 T HN 0.114 nan 8.240 nan 0.000 0.499 385 M N 1.519 121.040 119.600 -0.132 0.000 2.520 385 M HA 0.473 4.956 4.480 0.004 0.000 0.283 385 M C -1.082 175.238 176.300 0.033 0.000 1.237 385 M CA -0.715 54.448 55.300 -0.227 0.000 0.885 385 M CB 2.322 34.426 32.600 -0.827 0.000 1.727 385 M HN 0.682 nan 8.290 nan 0.000 0.468 386 L N 0.596 121.914 121.223 0.158 0.000 2.439 386 L HA 0.337 4.680 4.340 0.004 0.000 0.261 386 L C 1.554 178.524 176.870 0.166 0.000 1.153 386 L CA -0.223 54.762 54.840 0.241 0.000 0.808 386 L CB 0.459 42.692 42.059 0.290 0.000 1.126 386 L HN 0.777 nan 8.230 nan 0.000 0.460 387 T N -0.751 113.996 114.554 0.322 0.000 2.699 387 T HA -0.197 4.155 4.350 0.004 0.000 0.268 387 T C 1.732 176.453 174.700 0.035 0.000 1.036 387 T CA 2.191 64.404 62.100 0.188 0.000 1.147 387 T CB -0.297 68.787 68.868 0.360 0.000 0.862 387 T HN 0.920 nan 8.240 nan 0.000 0.446 388 T N 0.169 114.794 114.554 0.119 0.000 3.035 388 T HA -0.060 4.293 4.350 0.004 0.000 0.268 388 T C 1.422 176.146 174.700 0.040 0.000 1.109 388 T CA 0.854 63.009 62.100 0.091 0.000 1.119 388 T CB -0.194 68.764 68.868 0.150 0.000 0.900 388 T HN 0.240 nan 8.240 nan 0.000 0.503 389 D N 1.521 121.961 120.400 0.066 0.000 2.162 389 D HA 0.089 4.732 4.640 0.004 0.000 0.203 389 D C 2.131 178.345 176.300 -0.144 0.000 0.967 389 D CA 0.602 54.638 54.000 0.060 0.000 0.840 389 D CB -0.192 40.696 40.800 0.146 0.000 0.972 389 D HN 0.359 nan 8.370 nan 0.000 0.482 390 L N 0.955 122.010 121.223 -0.280 0.000 2.191 390 L HA -0.118 4.225 4.340 0.004 0.000 0.212 390 L C 2.318 179.136 176.870 -0.087 0.000 1.103 390 L CA 0.568 55.217 54.840 -0.319 0.000 0.769 390 L CB -0.373 41.370 42.059 -0.528 0.000 0.908 390 L HN -0.062 nan 8.230 nan 0.000 0.438 391 S N 0.398 116.080 115.700 -0.031 0.000 2.402 391 S HA -0.155 4.318 4.470 0.004 0.000 0.233 391 S C 1.883 176.537 174.600 0.091 0.000 1.030 391 S CA 1.147 59.392 58.200 0.075 0.000 1.003 391 S CB -0.252 63.012 63.200 0.106 0.000 0.813 391 S HN 0.391 nan 8.310 nan 0.000 0.477 392 L N 0.490 121.684 121.223 -0.049 0.000 2.465 392 L HA 0.048 4.390 4.340 0.004 0.000 0.224 392 L C 2.522 179.336 176.870 -0.094 0.000 1.145 392 L CA 0.811 55.614 54.840 -0.062 0.000 0.834 392 L CB -0.294 41.732 42.059 -0.055 0.000 0.944 392 L HN 0.257 nan 8.230 nan 0.000 0.451 393 R N -0.482 119.839 120.500 -0.298 0.000 2.195 393 R HA 0.040 4.383 4.340 0.004 0.000 0.197 393 R C 1.743 177.728 176.300 -0.524 0.000 0.990 393 R CA 0.497 56.262 56.100 -0.558 0.000 1.048 393 R CB 0.136 29.811 30.300 -1.042 0.000 0.997 393 R HN 0.158 nan 8.270 nan 0.000 0.502 394 F N 0.762 120.685 119.950 -0.045 0.000 2.746 394 F HA 0.198 4.727 4.527 0.004 0.000 0.297 394 F C 0.626 176.422 175.800 -0.008 0.000 1.113 394 F CA -0.363 57.619 58.000 -0.030 0.000 1.367 394 F CB 0.403 39.355 39.000 -0.081 0.000 1.111 394 F HN -0.020 nan 8.300 nan 0.000 0.590 395 D N 1.657 122.134 120.400 0.128 0.000 2.312 395 D HA 0.069 4.711 4.640 0.004 0.000 0.252 395 D C -2.044 174.256 176.300 -0.000 0.000 1.150 395 D CA -1.625 52.397 54.000 0.036 0.000 0.870 395 D CB 1.925 42.707 40.800 -0.031 0.000 1.153 395 D HN -0.008 nan 8.370 nan 0.000 0.457 396 P HA -0.067 nan 4.420 nan 0.000 0.218 396 P C 0.835 178.107 177.300 -0.047 0.000 1.149 396 P CA 1.088 64.176 63.100 -0.020 0.000 0.817 396 P CB 0.279 31.966 31.700 -0.021 0.000 0.785 397 A N -1.666 121.087 122.820 -0.111 0.000 1.897 397 A HA -0.165 4.157 4.320 0.004 0.000 0.215 397 A C 2.064 179.620 177.584 -0.046 0.000 1.181 397 A CA 1.174 53.141 52.037 -0.118 0.000 0.620 397 A CB -1.764 17.120 19.000 -0.194 0.000 0.821 397 A HN 0.185 nan 8.150 nan 0.000 0.443 398 Y N -0.541 119.721 120.300 -0.063 0.000 2.242 398 Y HA -0.180 4.372 4.550 0.004 0.000 0.291 398 Y C 2.663 178.508 175.900 -0.092 0.000 1.137 398 Y CA 0.846 58.895 58.100 -0.085 0.000 1.181 398 Y CB 0.058 38.473 38.460 -0.075 0.000 0.989 398 Y HN 0.359 nan 8.280 nan 0.000 0.527 399 E N 1.531 121.789 120.200 0.097 0.000 2.118 399 E HA -0.218 4.134 4.350 0.004 0.000 0.195 399 E C 1.609 178.217 176.600 0.014 0.000 0.992 399 E CA 1.315 57.758 56.400 0.071 0.000 0.804 399 E CB -0.015 29.711 29.700 0.042 0.000 0.741 399 E HN 0.501 nan 8.360 nan 0.000 0.458 400 K N -0.071 120.305 120.400 -0.041 0.000 2.097 400 K HA -0.058 4.264 4.320 0.004 0.000 0.205 400 K C 2.342 178.831 176.600 -0.185 0.000 1.050 400 K CA 1.195 57.423 56.287 -0.099 0.000 0.938 400 K CB -0.032 32.418 32.500 -0.084 0.000 0.718 400 K HN 0.182 nan 8.250 nan 0.000 0.442 401 I N 0.647 121.086 120.570 -0.219 0.000 2.233 401 I HA -0.226 3.946 4.170 0.004 0.000 0.243 401 I C 2.146 177.847 176.117 -0.693 0.000 1.093 401 I CA 0.920 61.931 61.300 -0.481 0.000 1.380 401 I CB -0.178 37.583 38.000 -0.397 0.000 1.067 401 I HN 0.023 nan 8.210 nan 0.000 0.413 402 S N 0.560 116.012 115.700 -0.413 0.000 2.374 402 S HA -0.179 4.293 4.470 0.004 0.000 0.227 402 S C 2.104 176.407 174.600 -0.494 0.000 1.037 402 S CA 1.256 59.142 58.200 -0.522 0.000 1.024 402 S CB -0.311 62.839 63.200 -0.083 0.000 0.861 402 S HN 0.340 nan 8.310 nan 0.000 0.456 403 R N 0.704 121.050 120.500 -0.257 0.000 2.075 403 R HA -0.002 4.340 4.340 0.004 0.000 0.232 403 R C 2.607 178.729 176.300 -0.296 0.000 1.126 403 R CA 1.132 56.998 56.100 -0.392 0.000 0.963 403 R CB -0.325 29.745 30.300 -0.384 0.000 0.858 403 R HN 0.344 nan 8.270 nan 0.000 0.435 404 R N 0.244 120.571 120.500 -0.288 0.000 2.091 404 R HA -0.113 4.229 4.340 0.004 0.000 0.238 404 R C 2.133 178.411 176.300 -0.035 0.000 1.136 404 R CA 1.543 57.530 56.100 -0.187 0.000 0.959 404 R CB -0.303 29.867 30.300 -0.217 0.000 0.856 404 R HN 0.200 nan 8.270 nan 0.000 0.437 405 F N -1.010 118.793 119.950 -0.245 0.000 2.186 405 F HA -0.205 4.324 4.527 0.004 0.000 0.299 405 F C 2.515 178.195 175.800 -0.200 0.000 1.090 405 F CA 0.690 58.558 58.000 -0.220 0.000 1.307 405 F CB -0.235 38.484 39.000 -0.468 0.000 1.019 405 F HN 0.298 nan 8.300 nan 0.000 0.489 406 H N 0.845 119.740 119.070 -0.291 0.000 2.353 406 H HA -0.121 4.438 4.556 0.004 0.000 0.300 406 H C 1.756 177.052 175.328 -0.054 0.000 1.090 406 H CA 1.865 57.843 56.048 -0.117 0.000 1.327 406 H CB -0.226 29.424 29.762 -0.187 0.000 1.383 406 H HN 0.265 nan 8.280 nan 0.000 0.508 407 E N -0.577 119.525 120.200 -0.163 0.000 2.285 407 E HA 0.009 4.361 4.350 0.004 0.000 0.194 407 E C -0.117 176.436 176.600 -0.079 0.000 0.997 407 E CA 0.350 56.628 56.400 -0.203 0.000 0.845 407 E CB 0.320 29.911 29.700 -0.181 0.000 0.782 407 E HN 0.431 nan 8.360 nan 0.000 0.491 408 N N 0.665 119.372 118.700 0.012 0.000 2.750 408 N HA 0.120 4.863 4.740 0.004 0.000 0.253 408 N C -2.418 173.162 175.510 0.117 0.000 1.408 408 N CA -0.946 52.142 53.050 0.063 0.000 0.780 408 N CB 1.533 40.081 38.487 0.102 0.000 1.191 408 N HN -0.049 nan 8.380 nan 0.000 0.511 409 P HA -0.147 nan 4.420 nan 0.000 0.222 409 P C 1.538 178.905 177.300 0.113 0.000 1.147 409 P CA 1.079 64.165 63.100 -0.024 0.000 0.790 409 P CB 0.417 31.663 31.700 -0.755 0.000 0.780 410 E N 0.706 120.971 120.200 0.108 0.000 2.150 410 E HA -0.215 4.138 4.350 0.004 0.000 0.193 410 E C 1.674 178.361 176.600 0.145 0.000 0.985 410 E CA 1.359 57.841 56.400 0.137 0.000 0.814 410 E CB -1.082 28.683 29.700 0.108 0.000 0.752 410 E HN 0.355 nan 8.360 nan 0.000 0.466 411 Q N -0.460 119.446 119.800 0.177 0.000 2.079 411 Q HA -0.084 4.258 4.340 0.004 0.000 0.200 411 Q C 2.049 178.116 176.000 0.112 0.000 0.974 411 Q CA 1.400 57.330 55.803 0.213 0.000 0.840 411 Q CB -0.361 28.578 28.738 0.336 0.000 0.898 411 Q HN 0.272 nan 8.270 nan 0.000 0.430 412 F N 1.592 121.434 119.950 -0.179 0.000 2.069 412 F HA -0.202 4.327 4.527 0.004 0.000 0.298 412 F C 2.159 177.914 175.800 -0.076 0.000 1.113 412 F CA 1.445 59.067 58.000 -0.630 0.000 1.214 412 F CB -0.825 38.021 39.000 -0.257 0.000 0.978 412 F HN -0.001 nan 8.300 nan 0.000 0.474 413 A N -0.291 122.557 122.820 0.046 0.000 1.902 413 A HA -0.251 4.072 4.320 0.004 0.000 0.217 413 A C 1.988 179.617 177.584 0.076 0.000 1.181 413 A CA 2.106 54.202 52.037 0.098 0.000 0.623 413 A CB -1.307 17.794 19.000 0.168 0.000 0.818 413 A HN 0.508 nan 8.150 nan 0.000 0.443 414 D N -0.619 119.817 120.400 0.059 0.000 2.123 414 D HA 0.044 4.686 4.640 0.004 0.000 0.200 414 D C 2.028 178.378 176.300 0.084 0.000 0.976 414 D CA 1.449 55.487 54.000 0.063 0.000 0.831 414 D CB -0.192 40.658 40.800 0.083 0.000 0.974 414 D HN 0.321 nan 8.370 nan 0.000 0.469 415 A N -0.295 122.583 122.820 0.097 0.000 1.933 415 A HA -0.107 4.216 4.320 0.004 0.000 0.218 415 A C 2.262 179.972 177.584 0.210 0.000 1.175 415 A CA 1.089 53.218 52.037 0.152 0.000 0.628 415 A CB -1.241 17.888 19.000 0.214 0.000 0.814 415 A HN 0.489 nan 8.150 nan 0.000 0.444 416 F N 0.623 120.568 119.950 -0.009 0.000 2.146 416 F HA -0.057 4.472 4.527 0.004 0.000 0.298 416 F C 2.529 178.423 175.800 0.158 0.000 1.096 416 F CA 1.010 59.016 58.000 0.010 0.000 1.275 416 F CB -0.058 38.786 39.000 -0.259 0.000 1.008 416 F HN 0.293 nan 8.300 nan 0.000 0.480 417 A N 0.981 123.894 122.820 0.156 0.000 1.883 417 A HA -0.219 4.104 4.320 0.004 0.000 0.217 417 A C 2.193 179.817 177.584 0.065 0.000 1.186 417 A CA 1.834 53.953 52.037 0.136 0.000 0.624 417 A CB -0.750 18.314 19.000 0.107 0.000 0.822 417 A HN 0.461 nan 8.150 nan 0.000 0.444 418 R N -0.751 119.696 120.500 -0.087 0.000 2.075 418 R HA -0.006 4.337 4.340 0.004 0.000 0.232 418 R C 2.440 178.743 176.300 0.005 0.000 1.126 418 R CA 1.122 57.046 56.100 -0.294 0.000 0.963 418 R CB -0.409 29.718 30.300 -0.289 0.000 0.858 418 R HN 0.504 nan 8.270 nan 0.000 0.435 419 A N 0.797 123.672 122.820 0.092 0.000 2.015 419 A HA -0.169 4.153 4.320 0.004 0.000 0.219 419 A C 1.818 179.469 177.584 0.110 0.000 1.163 419 A CA 0.712 52.814 52.037 0.109 0.000 0.646 419 A CB -0.773 18.356 19.000 0.215 0.000 0.806 419 A HN 0.610 nan 8.150 nan 0.000 0.448 420 W N -0.479 120.785 121.300 -0.061 0.000 2.388 420 W HA -0.193 4.470 4.660 0.004 0.000 0.294 420 W C 1.740 178.289 176.519 0.050 0.000 1.212 420 W CA 1.586 58.880 57.345 -0.085 0.000 1.271 420 W CB -0.373 28.874 29.460 -0.355 0.000 1.126 420 W HN 0.410 nan 8.180 nan 0.000 0.535 421 F N 2.163 122.155 119.950 0.070 0.000 2.146 421 F HA -0.130 4.399 4.527 0.003 0.000 0.298 421 F C 2.611 178.413 175.800 0.003 0.000 1.096 421 F CA 2.586 60.649 58.000 0.105 0.000 1.275 421 F CB -0.797 38.341 39.000 0.230 0.000 1.008 421 F HN -0.237 nan 8.300 nan 0.000 0.480 422 K N 0.369 120.628 120.400 -0.234 0.000 2.009 422 K HA -0.238 4.084 4.320 0.004 0.000 0.210 422 K C 2.202 178.327 176.600 -0.791 0.000 1.049 422 K CA 1.843 57.584 56.287 -0.909 0.000 0.929 422 K CB -0.720 31.206 32.500 -0.957 0.000 0.714 422 K HN 0.352 nan 8.250 nan 0.000 0.440 423 L N 1.466 122.380 121.223 -0.515 0.000 2.034 423 L HA -0.229 4.113 4.340 0.004 0.000 0.217 423 L C 2.116 178.647 176.870 -0.565 0.000 1.077 423 L CA 2.830 57.391 54.840 -0.464 0.000 0.769 423 L CB -1.081 40.754 42.059 -0.374 0.000 0.890 423 L HN 0.515 nan 8.230 nan 0.000 0.435 424 T N -5.310 108.858 114.554 -0.643 0.000 3.129 424 T HA 0.036 4.388 4.350 0.004 0.000 0.251 424 T C 0.998 175.211 174.700 -0.811 0.000 1.117 424 T CA 0.956 62.648 62.100 -0.681 0.000 1.034 424 T CB -0.472 67.957 68.868 -0.732 0.000 0.968 424 T HN 0.570 nan 8.240 nan 0.000 0.526 425 H N 0.141 118.796 119.070 -0.691 0.000 3.233 425 H HA 0.337 4.896 4.556 0.004 0.000 0.263 425 H C 2.100 177.184 175.328 -0.407 0.000 1.168 425 H CA -0.356 55.331 56.048 -0.603 0.000 1.159 425 H CB 0.285 29.570 29.762 -0.795 0.000 1.593 425 H HN 0.322 nan 8.280 nan 0.000 0.580 426 R N 1.013 121.188 120.500 -0.542 0.000 2.193 426 R HA -0.092 4.251 4.340 0.004 0.000 0.229 426 R C -0.006 176.026 176.300 -0.447 0.000 1.110 426 R CA 1.766 57.535 56.100 -0.552 0.000 0.988 426 R CB -0.182 29.624 30.300 -0.823 0.000 0.871 426 R HN 0.286 nan 8.270 nan 0.000 0.458 427 D N -0.214 119.895 120.400 -0.485 0.000 2.424 427 D HA 0.038 4.680 4.640 0.004 0.000 0.220 427 D C 1.262 177.449 176.300 -0.188 0.000 1.150 427 D CA -0.149 53.654 54.000 -0.327 0.000 0.831 427 D CB 0.150 40.757 40.800 -0.320 0.000 0.981 427 D HN 0.241 nan 8.370 nan 0.000 0.500 428 M N 0.257 119.769 119.600 -0.145 0.000 2.509 428 M HA 0.216 4.698 4.480 0.004 0.000 0.250 428 M C 0.950 177.218 176.300 -0.053 0.000 1.132 428 M CA 0.698 55.919 55.300 -0.132 0.000 1.080 428 M CB 0.344 32.816 32.600 -0.214 0.000 1.408 428 M HN 0.301 nan 8.290 nan 0.000 0.484 429 G N 1.057 109.861 108.800 0.006 0.000 2.584 429 G HA2 -0.197 3.766 3.960 0.004 0.000 0.229 429 G HA3 -0.197 3.766 3.960 0.004 0.000 0.229 429 G C -2.838 172.059 174.900 -0.004 0.000 1.320 429 G CA -1.172 43.908 45.100 -0.034 0.000 0.891 429 G HN 0.160 nan 8.290 nan 0.000 0.573 430 P HA 0.278 nan 4.420 nan 0.000 0.269 430 P C 0.990 178.162 177.300 -0.212 0.000 1.215 430 P CA -0.104 62.946 63.100 -0.084 0.000 0.780 430 P CB 0.321 32.047 31.700 0.044 0.000 0.898 431 R N 2.227 122.485 120.500 -0.405 0.000 2.200 431 R HA -0.153 4.189 4.340 0.004 0.000 0.234 431 R C 1.876 177.955 176.300 -0.367 0.000 1.127 431 R CA 1.450 57.078 56.100 -0.786 0.000 0.989 431 R CB -0.802 29.122 30.300 -0.627 0.000 0.869 431 R HN 0.509 nan 8.270 nan 0.000 0.459 432 A N 1.322 124.048 122.820 -0.156 0.000 2.076 432 A HA -0.167 4.156 4.320 0.004 0.000 0.220 432 A C 1.866 179.453 177.584 0.005 0.000 1.160 432 A CA 1.114 53.127 52.037 -0.040 0.000 0.653 432 A CB -0.275 18.748 19.000 0.038 0.000 0.801 432 A HN 0.259 nan 8.150 nan 0.000 0.455 433 R N -1.893 118.594 120.500 -0.023 0.000 2.275 433 R HA 0.040 4.382 4.340 0.004 0.000 0.199 433 R C -0.463 175.907 176.300 0.118 0.000 0.989 433 R CA -0.028 56.066 56.100 -0.010 0.000 1.016 433 R CB -0.086 30.100 30.300 -0.189 0.000 0.918 433 R HN 0.491 nan 8.270 nan 0.000 0.473 434 Y N 1.486 121.728 120.300 -0.096 0.000 2.465 434 Y HA 0.176 4.729 4.550 0.005 0.000 0.331 434 Y C 0.590 176.453 175.900 -0.062 0.000 1.102 434 Y CA -0.454 57.597 58.100 -0.081 0.000 1.358 434 Y CB 0.266 38.707 38.460 -0.031 0.000 1.213 434 Y HN -0.119 nan 8.280 nan 0.000 0.525 435 L N 2.284 123.518 121.223 0.018 0.000 2.333 435 L HA 0.873 5.216 4.340 0.004 0.000 0.269 435 L C 0.531 177.535 176.870 0.222 0.000 1.010 435 L CA -0.888 54.002 54.840 0.083 0.000 0.818 435 L CB 1.973 44.037 42.059 0.007 0.000 1.306 435 L HN 0.807 nan 8.230 nan 0.000 0.430 436 G N 1.774 110.750 108.800 0.293 0.000 2.655 436 G HA2 -0.117 3.846 3.960 0.004 0.000 0.680 436 G HA3 -0.117 3.846 3.960 0.004 0.000 0.680 436 G C -2.430 172.575 174.900 0.176 0.000 1.302 436 G CA -0.313 44.977 45.100 0.316 0.000 0.872 436 G HN 0.532 nan 8.290 nan 0.000 0.540 437 P HA 0.174 nan 4.420 nan 0.000 0.249 437 P C 0.609 177.955 177.300 0.075 0.000 1.229 437 P CA 0.928 64.073 63.100 0.075 0.000 0.788 437 P CB 0.328 32.051 31.700 0.039 0.000 1.072 438 E N -0.308 119.975 120.200 0.139 0.000 2.558 438 E HA 0.151 4.503 4.350 0.004 0.000 0.205 438 E C -0.204 176.439 176.600 0.071 0.000 1.006 438 E CA -0.259 56.210 56.400 0.115 0.000 0.961 438 E CB 0.896 30.727 29.700 0.220 0.000 1.044 438 E HN 0.014 nan 8.360 nan 0.000 0.465 439 V N 3.783 123.735 119.914 0.064 0.000 2.521 439 V HA 0.080 4.202 4.120 0.004 0.000 0.286 439 V C -1.984 174.057 176.094 -0.089 0.000 1.034 439 V CA -1.343 60.989 62.300 0.052 0.000 1.045 439 V CB 0.187 32.087 31.823 0.129 0.000 0.974 439 V HN 0.091 nan 8.190 nan 0.000 0.480 440 P HA 0.206 nan 4.420 nan 0.000 0.271 440 P C 0.462 177.616 177.300 -0.243 0.000 1.216 440 P CA -0.179 62.672 63.100 -0.414 0.000 0.771 440 P CB 1.017 32.253 31.700 -0.773 0.000 0.864 441 A N 2.770 125.451 122.820 -0.231 0.000 2.015 441 A HA -0.137 4.185 4.320 0.004 0.000 0.219 441 A C 1.061 178.568 177.584 -0.130 0.000 1.163 441 A CA 0.731 52.677 52.037 -0.152 0.000 0.646 441 A CB -0.753 18.169 19.000 -0.131 0.000 0.806 441 A HN 0.658 nan 8.150 nan 0.000 0.448 442 E N 0.604 120.721 120.200 -0.138 0.000 2.366 442 E HA 0.287 4.639 4.350 0.004 0.000 0.266 442 E C -1.050 175.521 176.600 -0.049 0.000 1.015 442 E CA -0.350 56.019 56.400 -0.051 0.000 0.906 442 E CB 0.575 30.307 29.700 0.054 0.000 0.979 442 E HN 0.118 nan 8.360 nan 0.000 0.443 443 V N 6.683 126.553 119.914 -0.073 0.000 2.488 443 V HA 0.166 4.289 4.120 0.004 0.000 0.277 443 V C 0.202 176.214 176.094 -0.138 0.000 1.046 443 V CA -0.195 62.027 62.300 -0.129 0.000 0.986 443 V CB 0.671 32.422 31.823 -0.120 0.000 0.989 443 V HN 0.562 nan 8.190 nan 0.000 0.475 444 L N 5.037 126.095 121.223 -0.275 0.000 2.329 444 L HA 0.370 4.713 4.340 0.004 0.000 0.279 444 L C 0.938 177.563 176.870 -0.410 0.000 1.014 444 L CA -0.647 53.982 54.840 -0.351 0.000 0.814 444 L CB 1.548 43.215 42.059 -0.653 0.000 1.257 444 L HN 0.484 nan 8.230 nan 0.000 0.424 445 L N 3.844 124.964 121.223 -0.173 0.000 2.129 445 L HA -0.173 4.169 4.340 0.004 0.000 0.212 445 L C 2.037 178.890 176.870 -0.029 0.000 1.087 445 L CA 1.866 56.668 54.840 -0.063 0.000 0.757 445 L CB -0.522 41.564 42.059 0.045 0.000 0.896 445 L HN 0.780 nan 8.230 nan 0.000 0.434 446 W N -1.285 120.048 121.300 0.054 0.000 2.699 446 W HA -0.075 4.587 4.660 0.003 0.000 0.249 446 W C 1.377 177.921 176.519 0.042 0.000 1.280 446 W CA 0.217 57.592 57.345 0.051 0.000 1.345 446 W CB -1.210 28.280 29.460 0.050 0.000 1.128 446 W HN 0.329 nan 8.180 nan 0.000 0.642 447 Q N 1.039 120.598 119.800 -0.401 0.000 2.515 447 Q HA -0.075 4.267 4.340 0.004 0.000 0.212 447 Q C -0.296 175.642 176.000 -0.104 0.000 0.970 447 Q CA 0.662 56.282 55.803 -0.306 0.000 0.941 447 Q CB -0.461 27.946 28.738 -0.552 0.000 0.998 447 Q HN 0.062 nan 8.270 nan 0.000 0.518 448 D N 1.088 121.463 120.400 -0.042 0.000 2.803 448 D HA -0.125 4.518 4.640 0.004 0.000 0.233 448 D C -2.461 173.812 176.300 -0.045 0.000 1.182 448 D CA 0.481 54.476 54.000 -0.009 0.000 0.726 448 D CB -0.692 40.132 40.800 0.040 0.000 0.987 448 D HN 0.280 nan 8.370 nan 0.000 0.412 449 P HA 0.155 nan 4.420 nan 0.000 0.271 449 P C 0.241 177.507 177.300 -0.057 0.000 1.218 449 P CA -0.279 62.763 63.100 -0.095 0.000 0.780 449 P CB 0.904 32.537 31.700 -0.111 0.000 0.901 450 I N 3.200 123.736 120.570 -0.056 0.000 2.406 450 I HA 0.293 4.465 4.170 0.004 0.000 0.290 450 I C -2.087 174.005 176.117 -0.042 0.000 0.999 450 I CA -2.666 58.613 61.300 -0.036 0.000 1.124 450 I CB 0.939 38.924 38.000 -0.025 0.000 1.289 450 I HN 0.150 nan 8.210 nan 0.000 0.441 451 P HA 0.163 nan 4.420 nan 0.000 0.267 451 P C -0.150 177.130 177.300 -0.033 0.000 1.200 451 P CA -0.243 62.840 63.100 -0.029 0.000 0.772 451 P CB 0.548 32.242 31.700 -0.011 0.000 0.855 452 A N 2.355 125.150 122.820 -0.040 0.000 2.466 452 A HA 0.229 4.551 4.320 0.004 0.000 0.238 452 A C 0.020 177.571 177.584 -0.055 0.000 1.074 452 A CA -0.252 51.755 52.037 -0.050 0.000 0.774 452 A CB -0.039 18.930 19.000 -0.051 0.000 1.015 452 A HN 0.393 nan 8.150 nan 0.000 0.498 453 V N 2.371 122.228 119.914 -0.095 0.000 2.432 453 V HA 0.288 4.410 4.120 0.004 0.000 0.275 453 V C -0.188 175.787 176.094 -0.199 0.000 1.043 453 V CA 0.206 62.395 62.300 -0.184 0.000 0.925 453 V CB 1.282 32.954 31.823 -0.252 0.000 0.985 453 V HN 0.999 nan 8.190 nan 0.000 0.466 454 D N 2.265 122.551 120.400 -0.190 0.000 2.720 454 D HA 0.212 4.854 4.640 0.004 0.000 0.285 454 D C -0.154 176.128 176.300 -0.030 0.000 1.359 454 D CA -0.294 53.657 54.000 -0.081 0.000 0.818 454 D CB -0.018 40.782 40.800 0.000 0.000 1.108 454 D HN 0.780 nan 8.370 nan 0.000 0.474 455 H N -3.434 115.641 119.070 0.007 0.000 3.016 455 H HA 0.716 5.275 4.556 0.004 0.000 0.362 455 H C -3.101 172.238 175.328 0.020 0.000 1.233 455 H CA -2.053 54.004 56.048 0.014 0.000 1.124 455 H CB -0.117 29.658 29.762 0.022 0.000 1.850 455 H HN -0.328 nan 8.280 nan 0.000 0.549 456 P HA 0.054 nan 4.420 nan 0.000 0.265 456 P C -0.322 177.141 177.300 0.271 0.000 1.187 456 P CA 0.006 63.194 63.100 0.147 0.000 0.766 456 P CB 0.584 32.363 31.700 0.132 0.000 0.820 457 L N 2.897 124.208 121.223 0.147 0.000 2.399 457 L HA 0.426 4.769 4.340 0.004 0.000 0.265 457 L C 1.065 178.036 176.870 0.169 0.000 1.089 457 L CA -1.271 53.671 54.840 0.170 0.000 0.802 457 L CB 0.265 42.370 42.059 0.076 0.000 1.180 457 L HN 0.354 nan 8.230 nan 0.000 0.454 458 I N -1.100 119.580 120.570 0.185 0.000 2.813 458 I HA 0.106 4.279 4.170 0.004 0.000 0.287 458 I C -0.130 176.071 176.117 0.140 0.000 1.196 458 I CA -0.518 60.886 61.300 0.175 0.000 1.421 458 I CB 0.226 38.292 38.000 0.109 0.000 1.365 458 I HN 0.600 nan 8.210 nan 0.000 0.591 459 D N 4.309 124.788 120.400 0.131 0.000 2.595 459 D HA 0.501 5.143 4.640 0.004 0.000 0.268 459 D C 0.910 177.270 176.300 0.100 0.000 1.181 459 D CA -0.303 53.758 54.000 0.102 0.000 1.085 459 D CB 0.794 41.644 40.800 0.084 0.000 1.186 459 D HN 0.574 nan 8.370 nan 0.000 0.621 460 A N -0.453 122.416 122.820 0.081 0.000 1.930 460 A HA 0.130 4.453 4.320 0.004 0.000 0.217 460 A C 2.123 179.744 177.584 0.062 0.000 1.175 460 A CA 2.187 54.269 52.037 0.074 0.000 0.627 460 A CB -1.349 17.687 19.000 0.059 0.000 0.815 460 A HN 0.638 nan 8.150 nan 0.000 0.443 461 A N 0.297 123.155 122.820 0.065 0.000 1.898 461 A HA -0.159 4.164 4.320 0.004 0.000 0.216 461 A C 1.730 179.362 177.584 0.080 0.000 1.181 461 A CA 1.704 53.779 52.037 0.063 0.000 0.620 461 A CB -0.491 18.547 19.000 0.064 0.000 0.819 461 A HN 0.492 nan 8.150 nan 0.000 0.442 462 D N 0.418 120.885 120.400 0.112 0.000 2.117 462 D HA -0.079 4.564 4.640 0.004 0.000 0.197 462 D C 2.201 178.494 176.300 -0.011 0.000 0.987 462 D CA 1.487 55.572 54.000 0.142 0.000 0.829 462 D CB -0.493 40.449 40.800 0.236 0.000 0.961 462 D HN 0.438 nan 8.370 nan 0.000 0.460 463 A N 1.315 124.126 122.820 -0.014 0.000 1.933 463 A HA -0.055 4.267 4.320 0.004 0.000 0.218 463 A C 2.353 179.882 177.584 -0.091 0.000 1.175 463 A CA 2.154 54.133 52.037 -0.097 0.000 0.628 463 A CB -0.607 18.378 19.000 -0.026 0.000 0.814 463 A HN 0.251 nan 8.150 nan 0.000 0.444 464 A N -0.332 122.473 122.820 -0.025 0.000 1.898 464 A HA -0.155 4.167 4.320 0.004 0.000 0.216 464 A C 2.042 179.616 177.584 -0.017 0.000 1.181 464 A CA 1.731 53.758 52.037 -0.017 0.000 0.620 464 A CB -0.510 18.497 19.000 0.010 0.000 0.819 464 A HN 0.693 nan 8.150 nan 0.000 0.442 465 E N -0.064 120.141 120.200 0.008 0.000 2.051 465 E HA -0.173 4.179 4.350 0.004 0.000 0.192 465 E C 1.920 178.513 176.600 -0.011 0.000 0.991 465 E CA 1.216 57.636 56.400 0.034 0.000 0.799 465 E CB -0.227 29.545 29.700 0.119 0.000 0.748 465 E HN 0.603 nan 8.360 nan 0.000 0.449 466 L N 0.571 121.734 121.223 -0.099 0.000 2.093 466 L HA -0.156 4.187 4.340 0.004 0.000 0.208 466 L C 2.640 179.431 176.870 -0.131 0.000 1.085 466 L CA 1.233 55.969 54.840 -0.173 0.000 0.755 466 L CB -0.256 41.587 42.059 -0.359 0.000 0.904 466 L HN 0.069 nan 8.230 nan 0.000 0.435 467 K N -0.001 120.321 120.400 -0.129 0.000 2.097 467 K HA -0.153 4.170 4.320 0.004 0.000 0.206 467 K C 2.212 178.778 176.600 -0.057 0.000 1.049 467 K CA 1.370 57.597 56.287 -0.099 0.000 0.933 467 K CB -0.258 32.186 32.500 -0.094 0.000 0.717 467 K HN 0.292 nan 8.250 nan 0.000 0.442 468 A N 1.926 124.723 122.820 -0.038 0.000 1.930 468 A HA -0.155 4.168 4.320 0.004 0.000 0.217 468 A C 1.902 179.477 177.584 -0.014 0.000 1.175 468 A CA 1.284 53.310 52.037 -0.019 0.000 0.627 468 A CB -0.168 18.829 19.000 -0.005 0.000 0.815 468 A HN 0.091 nan 8.150 nan 0.000 0.443 469 K N -0.184 120.207 120.400 -0.014 0.000 2.057 469 K HA -0.086 4.237 4.320 0.004 0.000 0.207 469 K C 2.003 178.594 176.600 -0.016 0.000 1.049 469 K CA 1.378 57.662 56.287 -0.005 0.000 0.931 469 K CB -0.789 31.715 32.500 0.008 0.000 0.714 469 K HN 0.346 nan 8.250 nan 0.000 0.440 470 V N 2.127 122.021 119.914 -0.034 0.000 2.295 470 V HA -0.228 3.895 4.120 0.004 0.000 0.246 470 V C 2.433 178.514 176.094 -0.022 0.000 1.049 470 V CA 1.540 63.820 62.300 -0.033 0.000 1.024 470 V CB -0.426 31.366 31.823 -0.052 0.000 0.648 470 V HN 0.229 nan 8.190 nan 0.000 0.447 471 L N -0.038 121.171 121.223 -0.023 0.000 2.141 471 L HA -0.093 4.249 4.340 0.004 0.000 0.209 471 L C 2.529 179.393 176.870 -0.010 0.000 1.094 471 L CA 1.360 56.190 54.840 -0.017 0.000 0.763 471 L CB -0.666 41.382 42.059 -0.019 0.000 0.908 471 L HN 0.364 nan 8.230 nan 0.000 0.437 472 A N -0.231 122.584 122.820 -0.008 0.000 2.119 472 A HA -0.101 4.222 4.320 0.004 0.000 0.216 472 A C 2.426 180.009 177.584 -0.001 0.000 1.152 472 A CA 1.133 53.168 52.037 -0.002 0.000 0.708 472 A CB -0.388 18.612 19.000 0.001 0.000 0.805 472 A HN 0.482 nan 8.150 nan 0.000 0.460 473 S N -1.583 114.116 115.700 -0.002 0.000 2.474 473 S HA 0.253 4.725 4.470 0.004 0.000 0.235 473 S C 1.635 176.235 174.600 0.001 0.000 0.997 473 S CA 1.360 59.559 58.200 -0.000 0.000 0.949 473 S CB -0.435 62.764 63.200 -0.001 0.000 0.766 473 S HN 1.829 nan 8.310 nan 0.000 0.517 474 G N 0.627 109.426 108.800 -0.001 0.000 2.217 474 G HA2 -0.227 3.736 3.960 0.004 0.000 0.246 474 G HA3 -0.227 3.736 3.960 0.004 0.000 0.246 474 G C 0.029 174.930 174.900 0.000 0.000 0.990 474 G CA 0.066 45.166 45.100 0.000 0.000 0.627 474 G HN 0.544 nan 8.290 nan 0.000 0.522 475 L N 2.296 123.520 121.223 0.000 0.000 2.514 475 L HA 0.372 4.714 4.340 0.004 0.000 0.280 475 L C 1.642 178.511 176.870 -0.001 0.000 1.223 475 L CA 0.827 55.668 54.840 0.002 0.000 0.864 475 L CB 0.428 42.489 42.059 0.003 0.000 1.118 475 L HN 0.482 nan 8.230 nan 0.000 0.494 476 T N -0.793 113.762 114.554 0.001 0.000 2.881 476 T HA 0.280 4.632 4.350 0.004 0.000 0.278 476 T C 1.242 175.936 174.700 -0.010 0.000 0.982 476 T CA -1.002 61.096 62.100 -0.005 0.000 0.989 476 T CB 1.628 70.495 68.868 -0.003 0.000 1.058 476 T HN 0.231 nan 8.240 nan 0.000 0.529 477 V N 1.260 121.160 119.914 -0.024 0.000 2.282 477 V HA -0.201 3.922 4.120 0.004 0.000 0.249 477 V C 3.049 179.124 176.094 -0.030 0.000 1.057 477 V CA 2.572 64.847 62.300 -0.042 0.000 1.032 477 V CB -1.127 30.658 31.823 -0.063 0.000 0.645 477 V HN 1.120 nan 8.190 nan 0.000 0.447 478 S N -0.913 114.774 115.700 -0.022 0.000 2.359 478 S HA -0.321 4.151 4.470 0.004 0.000 0.224 478 S C 2.032 176.646 174.600 0.024 0.000 1.035 478 S CA 2.272 60.468 58.200 -0.007 0.000 1.018 478 S CB -0.287 62.909 63.200 -0.007 0.000 0.876 478 S HN 0.716 nan 8.310 nan 0.000 0.448 479 Q N 0.094 119.909 119.800 0.024 0.000 2.124 479 Q HA 0.006 4.349 4.340 0.004 0.000 0.202 479 Q C 2.337 178.374 176.000 0.062 0.000 0.977 479 Q CA 1.572 57.400 55.803 0.041 0.000 0.850 479 Q CB -0.254 28.502 28.738 0.029 0.000 0.901 479 Q HN 0.542 nan 8.270 nan 0.000 0.429 480 L N -0.481 120.772 121.223 0.049 0.000 2.072 480 L HA -0.138 4.205 4.340 0.004 0.000 0.205 480 L C 2.297 179.251 176.870 0.141 0.000 1.079 480 L CA 0.627 55.511 54.840 0.072 0.000 0.752 480 L CB -0.343 41.737 42.059 0.035 0.000 0.906 480 L HN 0.080 nan 8.230 nan 0.000 0.436 481 V N -0.932 119.046 119.914 0.106 0.000 2.358 481 V HA -0.233 3.889 4.120 0.004 0.000 0.246 481 V C 2.582 178.887 176.094 0.352 0.000 1.047 481 V CA 1.880 64.296 62.300 0.194 0.000 1.035 481 V CB -0.212 31.600 31.823 -0.019 0.000 0.658 481 V HN 0.356 nan 8.190 nan 0.000 0.452 482 S N -0.182 115.650 115.700 0.220 0.000 2.370 482 S HA -0.218 4.254 4.470 0.004 0.000 0.226 482 S C 2.080 176.846 174.600 0.277 0.000 1.033 482 S CA 2.079 60.429 58.200 0.250 0.000 1.011 482 S CB -0.430 62.858 63.200 0.146 0.000 0.852 482 S HN 0.684 nan 8.310 nan 0.000 0.457 483 T N 2.081 116.755 114.554 0.200 0.000 2.777 483 T HA 0.033 4.385 4.350 0.004 0.000 0.266 483 T C 2.109 176.904 174.700 0.158 0.000 1.040 483 T CA 1.179 63.367 62.100 0.145 0.000 1.141 483 T CB -0.393 68.535 68.868 0.100 0.000 0.868 483 T HN 0.457 nan 8.240 nan 0.000 0.444 484 A N 0.935 123.899 122.820 0.239 0.000 1.968 484 A HA -0.022 4.300 4.320 0.004 0.000 0.217 484 A C 2.112 179.754 177.584 0.097 0.000 1.169 484 A CA 0.761 52.909 52.037 0.185 0.000 0.638 484 A CB -0.902 18.304 19.000 0.343 0.000 0.812 484 A HN 0.737 nan 8.150 nan 0.000 0.446 485 W N 0.995 122.373 121.300 0.131 0.000 2.355 485 W HA -0.215 4.447 4.660 0.003 0.000 0.309 485 W C 2.189 178.718 176.519 0.017 0.000 1.206 485 W CA 2.056 59.424 57.345 0.039 0.000 1.284 485 W CB -0.381 29.199 29.460 0.200 0.000 1.145 485 W HN 0.409 nan 8.180 nan 0.000 0.502 486 A N 0.995 123.857 122.820 0.071 0.000 1.940 486 A HA -0.117 4.205 4.320 0.004 0.000 0.219 486 A C 2.149 179.673 177.584 -0.101 0.000 1.176 486 A CA 2.761 54.788 52.037 -0.015 0.000 0.631 486 A CB -1.242 17.820 19.000 0.104 0.000 0.814 486 A HN 0.358 nan 8.150 nan 0.000 0.446 487 A N -0.687 122.075 122.820 -0.096 0.000 1.897 487 A HA 0.320 4.643 4.320 0.004 0.000 0.215 487 A C 2.381 179.860 177.584 -0.176 0.000 1.181 487 A CA 1.754 53.729 52.037 -0.104 0.000 0.620 487 A CB -0.692 18.267 19.000 -0.068 0.000 0.821 487 A HN 1.003 nan 8.150 nan 0.000 0.443 488 A N -0.194 122.444 122.820 -0.302 0.000 2.030 488 A HA 0.139 4.462 4.320 0.004 0.000 0.215 488 A C 2.134 179.455 177.584 -0.438 0.000 1.164 488 A CA 1.438 53.259 52.037 -0.361 0.000 0.697 488 A CB -0.497 18.215 19.000 -0.480 0.000 0.827 488 A HN 0.895 nan 8.150 nan 0.000 0.457 489 S N -0.119 115.171 115.700 -0.683 0.000 2.671 489 S HA -0.028 4.444 4.470 0.004 0.000 0.220 489 S C 1.378 175.777 174.600 -0.336 0.000 0.951 489 S CA 0.935 58.661 58.200 -0.790 0.000 0.932 489 S CB -0.967 61.157 63.200 -1.794 0.000 0.777 489 S HN 0.606 nan 8.310 nan 0.000 0.508 490 T N -1.421 113.041 114.554 -0.154 0.000 3.085 490 T HA 0.175 4.527 4.350 0.004 0.000 0.263 490 T C 0.292 175.009 174.700 0.028 0.000 1.127 490 T CA -0.373 61.727 62.100 0.001 0.000 1.103 490 T CB -0.782 68.152 68.868 0.109 0.000 0.921 490 T HN 0.401 nan 8.240 nan 0.000 0.510 491 F N 4.176 124.052 119.950 -0.122 0.000 2.563 491 F HA 0.341 4.869 4.527 0.003 0.000 0.363 491 F C 0.658 176.432 175.800 -0.044 0.000 1.123 491 F CA -0.946 57.013 58.000 -0.069 0.000 1.307 491 F CB 0.610 39.542 39.000 -0.112 0.000 1.115 491 F HN 0.176 nan 8.300 nan 0.000 0.592 492 R N 3.853 123.815 120.500 -0.896 0.000 2.574 492 R HA 0.488 4.830 4.340 0.004 0.000 0.288 492 R C 0.161 175.925 176.300 -0.893 0.000 1.004 492 R CA -0.522 55.237 56.100 -0.568 0.000 0.895 492 R CB 1.178 31.314 30.300 -0.272 0.000 1.191 492 R HN 0.751 nan 8.270 nan 0.000 0.444 493 G N 0.941 109.547 108.800 -0.322 0.000 2.650 493 G HA2 -0.198 3.764 3.960 0.004 0.000 0.214 493 G HA3 -0.198 3.764 3.960 0.004 0.000 0.214 493 G C 1.158 176.021 174.900 -0.062 0.000 1.136 493 G CA 0.582 45.662 45.100 -0.034 0.000 0.789 493 G HN 0.739 nan 8.290 nan 0.000 0.536 494 S N 1.560 117.199 115.700 -0.103 0.000 2.356 494 S HA -0.154 4.319 4.470 0.004 0.000 0.223 494 S C 1.634 176.214 174.600 -0.034 0.000 1.032 494 S CA 1.745 59.911 58.200 -0.057 0.000 1.005 494 S CB -0.136 63.025 63.200 -0.064 0.000 0.867 494 S HN 0.466 nan 8.310 nan 0.000 0.449 495 D N -0.478 119.886 120.400 -0.061 0.000 2.527 495 D HA 0.199 4.841 4.640 0.004 0.000 0.224 495 D C 0.106 176.353 176.300 -0.087 0.000 1.217 495 D CA -0.217 53.774 54.000 -0.015 0.000 0.819 495 D CB -0.451 40.446 40.800 0.161 0.000 1.061 495 D HN 0.411 nan 8.370 nan 0.000 0.515 496 K N -0.046 120.224 120.400 -0.218 0.000 3.160 496 K HA -0.205 4.117 4.320 0.004 0.000 0.280 496 K C -0.140 176.391 176.600 -0.115 0.000 1.154 496 K CA 0.635 56.811 56.287 -0.185 0.000 0.822 496 K CB -1.332 31.183 32.500 0.025 0.000 1.239 496 K HN 0.295 nan 8.250 nan 0.000 0.489 497 R N 0.214 120.590 120.500 -0.207 0.000 2.549 497 R HA 0.595 4.937 4.340 0.004 0.000 0.267 497 R C 0.954 177.202 176.300 -0.087 0.000 1.045 497 R CA 0.096 56.163 56.100 -0.055 0.000 1.115 497 R CB 1.173 31.475 30.300 0.003 0.000 1.121 497 R HN 0.311 nan 8.270 nan 0.000 0.543 498 G N -0.406 108.437 108.800 0.072 0.000 2.698 498 G HA2 0.225 4.187 3.960 0.004 0.000 0.225 498 G HA3 0.225 4.187 3.960 0.004 0.000 0.225 498 G C -0.076 174.969 174.900 0.242 0.000 1.345 498 G CA -0.468 44.699 45.100 0.111 0.000 0.871 498 G HN 1.151 nan 8.290 nan 0.000 0.540 499 G N -2.733 106.165 108.800 0.163 0.000 2.603 499 G HA2 0.489 4.451 3.960 0.004 0.000 0.686 499 G HA3 0.489 4.451 3.960 0.004 0.000 0.686 499 G C 0.864 175.754 174.900 -0.015 0.000 1.286 499 G CA 0.910 46.060 45.100 0.084 0.000 0.871 499 G HN 2.449 nan 8.290 nan 0.000 0.568 500 A N -0.141 122.625 122.820 -0.089 0.000 2.169 500 A HA 0.321 4.643 4.320 0.004 0.000 0.212 500 A C 1.258 178.810 177.584 -0.054 0.000 1.153 500 A CA 1.493 53.480 52.037 -0.084 0.000 0.756 500 A CB -0.291 18.638 19.000 -0.119 0.000 0.813 500 A HN 1.196 nan 8.150 nan 0.000 0.471 501 N N -0.192 118.479 118.700 -0.048 0.000 2.454 501 N HA 0.323 5.065 4.740 0.004 0.000 0.254 501 N C 1.166 176.668 175.510 -0.013 0.000 1.228 501 N CA 1.577 54.608 53.050 -0.031 0.000 0.900 501 N CB 0.565 39.036 38.487 -0.028 0.000 1.089 501 N HN 0.587 nan 8.380 nan 0.000 0.449 502 G N 1.941 110.734 108.800 -0.012 0.000 2.213 502 G HA2 -0.154 3.809 3.960 0.004 0.000 0.236 502 G HA3 -0.154 3.809 3.960 0.004 0.000 0.236 502 G C 0.486 175.374 174.900 -0.019 0.000 0.991 502 G CA 0.509 45.602 45.100 -0.012 0.000 0.629 502 G HN 1.695 nan 8.290 nan 0.000 0.517 503 A N -0.734 122.072 122.820 -0.024 0.000 2.704 503 A HA -0.274 4.048 4.320 0.004 0.000 0.299 503 A C 1.539 179.093 177.584 -0.050 0.000 1.507 503 A CA 2.298 54.316 52.037 -0.031 0.000 0.776 503 A CB -1.659 17.330 19.000 -0.018 0.000 1.027 503 A HN 1.032 nan 8.150 nan 0.000 0.475 504 R N -0.791 119.673 120.500 -0.061 0.000 2.316 504 R HA 0.098 4.441 4.340 0.004 0.000 0.202 504 R C 1.904 178.117 176.300 -0.146 0.000 1.029 504 R CA 1.062 57.107 56.100 -0.093 0.000 1.018 504 R CB -0.222 30.027 30.300 -0.086 0.000 0.888 504 R HN 0.828 nan 8.270 nan 0.000 0.471 505 I N 1.983 122.476 120.570 -0.128 0.000 2.567 505 I HA -0.266 3.906 4.170 0.004 0.000 0.257 505 I C 2.300 178.338 176.117 -0.132 0.000 1.184 505 I CA 1.214 62.424 61.300 -0.150 0.000 1.451 505 I CB 0.008 37.953 38.000 -0.091 0.000 1.089 505 I HN 0.136 nan 8.210 nan 0.000 0.441 506 R N 0.313 120.755 120.500 -0.096 0.000 2.297 506 R HA 0.121 4.464 4.340 0.004 0.000 0.197 506 R C 0.415 176.663 176.300 -0.087 0.000 0.943 506 R CA 0.066 56.121 56.100 -0.075 0.000 1.038 506 R CB -0.146 30.126 30.300 -0.048 0.000 0.957 506 R HN 0.287 nan 8.270 nan 0.000 0.484 507 L N 0.912 122.067 121.223 -0.115 0.000 2.365 507 L HA 0.551 4.893 4.340 0.004 0.000 0.267 507 L C 0.284 177.065 176.870 -0.149 0.000 1.033 507 L CA -1.299 53.477 54.840 -0.106 0.000 0.802 507 L CB 1.301 43.303 42.059 -0.094 0.000 1.267 507 L HN 0.046 nan 8.230 nan 0.000 0.457 508 A N 1.505 124.258 122.820 -0.112 0.000 2.407 508 A HA 0.362 4.684 4.320 0.004 0.000 0.248 508 A C -1.814 175.678 177.584 -0.154 0.000 1.082 508 A CA -0.887 51.073 52.037 -0.128 0.000 0.785 508 A CB -0.074 18.891 19.000 -0.059 0.000 1.020 508 A HN 0.601 nan 8.150 nan 0.000 0.489 509 P HA 0.018 nan 4.420 nan 0.000 0.261 509 P C 0.703 177.534 177.300 -0.782 0.000 1.268 509 P CA 0.447 63.377 63.100 -0.284 0.000 0.833 509 P CB 0.415 32.109 31.700 -0.010 0.000 1.231 510 Q N 1.285 120.480 119.800 -1.009 0.000 2.170 510 Q HA -0.151 4.191 4.340 0.004 0.000 0.203 510 Q C 2.110 177.692 176.000 -0.697 0.000 0.976 510 Q CA 1.550 56.465 55.803 -1.482 0.000 0.858 510 Q CB -0.406 27.763 28.738 -0.949 0.000 0.907 510 Q HN 0.455 nan 8.270 nan 0.000 0.433 511 K N 0.221 120.383 120.400 -0.397 0.000 2.360 511 K HA -0.137 4.185 4.320 0.004 0.000 0.201 511 K C 0.483 177.021 176.600 -0.104 0.000 1.046 511 K CA 1.504 57.678 56.287 -0.187 0.000 0.945 511 K CB 0.241 32.666 32.500 -0.126 0.000 0.750 511 K HN 0.071 nan 8.250 nan 0.000 0.464 512 D N -0.440 119.886 120.400 -0.125 0.000 2.398 512 D HA 0.022 4.665 4.640 0.004 0.000 0.210 512 D C -0.343 176.057 176.300 0.166 0.000 1.094 512 D CA -0.103 53.907 54.000 0.017 0.000 0.839 512 D CB 0.131 40.944 40.800 0.021 0.000 0.963 512 D HN 0.159 nan 8.370 nan 0.000 0.506 513 W N 2.535 123.840 121.300 0.008 0.000 2.251 513 W HA 0.098 4.764 4.660 0.011 0.000 0.327 513 W C 1.814 178.323 176.519 -0.016 0.000 1.361 513 W CA -0.876 56.473 57.345 0.006 0.000 1.234 513 W CB 0.305 29.761 29.460 -0.006 0.000 1.212 513 W HN 0.090 nan 8.180 nan 0.000 0.557 514 E N 2.674 123.000 120.200 0.210 0.000 2.097 514 E HA -0.260 4.092 4.350 0.004 0.000 0.196 514 E C 2.023 178.566 176.600 -0.095 0.000 1.000 514 E CA 2.144 58.602 56.400 0.096 0.000 0.804 514 E CB 0.104 29.909 29.700 0.175 0.000 0.740 514 E HN 0.492 nan 8.360 nan 0.000 0.454 515 A N 0.798 123.427 122.820 -0.318 0.000 2.019 515 A HA -0.163 4.160 4.320 0.004 0.000 0.219 515 A C 1.683 179.149 177.584 -0.197 0.000 1.164 515 A CA 1.443 53.042 52.037 -0.730 0.000 0.644 515 A CB -0.358 18.251 19.000 -0.651 0.000 0.805 515 A HN 0.255 nan 8.150 nan 0.000 0.449 516 N N -0.135 118.572 118.700 0.013 0.000 2.398 516 N HA 0.038 4.780 4.740 0.004 0.000 0.188 516 N C -0.487 175.053 175.510 0.051 0.000 1.122 516 N CA 0.393 53.488 53.050 0.075 0.000 0.866 516 N CB -0.133 38.429 38.487 0.126 0.000 0.970 516 N HN 0.570 nan 8.380 nan 0.000 0.462 517 Q N -1.147 118.671 119.800 0.030 0.000 2.457 517 Q HA -0.150 4.193 4.340 0.004 0.000 0.333 517 Q C -1.876 174.149 176.000 0.041 0.000 1.448 517 Q CA -0.186 55.640 55.803 0.038 0.000 0.891 517 Q CB -1.229 27.532 28.738 0.039 0.000 1.142 517 Q HN 0.283 nan 8.270 nan 0.000 0.375 518 P HA -0.247 nan 4.420 nan 0.000 0.216 518 P C 1.084 178.400 177.300 0.026 0.000 1.154 518 P CA 1.315 64.436 63.100 0.034 0.000 0.865 518 P CB 0.171 31.897 31.700 0.042 0.000 0.789 519 E N -0.386 119.832 120.200 0.030 0.000 2.072 519 E HA -0.223 4.130 4.350 0.004 0.000 0.191 519 E C 2.146 178.760 176.600 0.023 0.000 0.985 519 E CA 1.061 57.476 56.400 0.025 0.000 0.801 519 E CB -0.624 29.092 29.700 0.027 0.000 0.750 519 E HN 0.460 nan 8.360 nan 0.000 0.452 520 Q N 0.915 120.732 119.800 0.028 0.000 2.079 520 Q HA -0.158 4.184 4.340 0.004 0.000 0.200 520 Q C 2.378 178.394 176.000 0.027 0.000 0.974 520 Q CA 1.013 56.833 55.803 0.028 0.000 0.840 520 Q CB -0.141 28.617 28.738 0.034 0.000 0.898 520 Q HN 0.196 nan 8.270 nan 0.000 0.430 521 L N 0.899 122.139 121.223 0.028 0.000 2.042 521 L HA -0.111 4.231 4.340 0.004 0.000 0.210 521 L C 2.302 179.179 176.870 0.013 0.000 1.076 521 L CA 2.299 57.153 54.840 0.023 0.000 0.749 521 L CB -0.858 41.212 42.059 0.018 0.000 0.893 521 L HN 0.291 nan 8.230 nan 0.000 0.432 522 A N -0.417 122.409 122.820 0.009 0.000 1.933 522 A HA -0.116 4.206 4.320 0.004 0.000 0.218 522 A C 2.464 180.052 177.584 0.007 0.000 1.175 522 A CA 1.875 53.914 52.037 0.004 0.000 0.628 522 A CB -1.190 17.813 19.000 0.005 0.000 0.814 522 A HN 0.624 nan 8.150 nan 0.000 0.444 523 A N -0.580 122.247 122.820 0.011 0.000 1.877 523 A HA 0.003 4.326 4.320 0.004 0.000 0.216 523 A C 2.240 179.830 177.584 0.011 0.000 1.186 523 A CA 1.798 53.841 52.037 0.011 0.000 0.620 523 A CB -0.952 18.056 19.000 0.014 0.000 0.822 523 A HN 0.392 nan 8.150 nan 0.000 0.443 524 V N 0.300 120.222 119.914 0.014 0.000 2.295 524 V HA -0.255 3.867 4.120 0.004 0.000 0.246 524 V C 2.561 178.661 176.094 0.009 0.000 1.049 524 V CA 1.951 64.260 62.300 0.015 0.000 1.024 524 V CB -0.807 31.031 31.823 0.025 0.000 0.648 524 V HN 0.566 nan 8.190 nan 0.000 0.447 525 L N -0.116 121.111 121.223 0.006 0.000 2.131 525 L HA -0.207 4.136 4.340 0.004 0.000 0.210 525 L C 2.570 179.440 176.870 -0.000 0.000 1.092 525 L CA 1.966 56.806 54.840 0.000 0.000 0.759 525 L CB -0.584 41.471 42.059 -0.006 0.000 0.903 525 L HN 0.469 nan 8.230 nan 0.000 0.435 526 E N -0.072 120.129 120.200 0.002 0.000 2.072 526 E HA -0.186 4.167 4.350 0.004 0.000 0.191 526 E C 1.973 178.575 176.600 0.003 0.000 0.985 526 E CA 1.713 58.114 56.400 0.002 0.000 0.801 526 E CB 0.131 29.833 29.700 0.004 0.000 0.750 526 E HN 0.347 nan 8.360 nan 0.000 0.452 527 T N 1.410 115.966 114.554 0.004 0.000 2.737 527 T HA -0.096 4.256 4.350 0.004 0.000 0.265 527 T C 1.864 176.564 174.700 0.001 0.000 1.038 527 T CA 1.123 63.225 62.100 0.003 0.000 1.144 527 T CB -0.175 68.695 68.868 0.004 0.000 0.866 527 T HN 0.157 nan 8.240 nan 0.000 0.434 528 L N 0.614 121.836 121.223 -0.002 0.000 2.083 528 L HA -0.102 4.241 4.340 0.004 0.000 0.209 528 L C 2.641 179.507 176.870 -0.006 0.000 1.083 528 L CA 1.418 56.252 54.840 -0.009 0.000 0.752 528 L CB -0.558 41.494 42.059 -0.012 0.000 0.899 528 L HN 0.336 nan 8.230 nan 0.000 0.433 529 E N 0.017 120.216 120.200 -0.001 0.000 2.152 529 E HA -0.152 4.201 4.350 0.004 0.000 0.192 529 E C 2.284 178.890 176.600 0.010 0.000 0.983 529 E CA 0.985 57.387 56.400 0.003 0.000 0.818 529 E CB -0.071 29.630 29.700 0.001 0.000 0.758 529 E HN 0.481 nan 8.360 nan 0.000 0.467 530 A N 0.783 123.608 122.820 0.009 0.000 1.929 530 A HA -0.109 4.214 4.320 0.004 0.000 0.216 530 A C 2.104 179.702 177.584 0.024 0.000 1.176 530 A CA 0.754 52.800 52.037 0.014 0.000 0.628 530 A CB -0.371 18.636 19.000 0.011 0.000 0.816 530 A HN 0.130 nan 8.150 nan 0.000 0.444 531 I N -1.055 119.527 120.570 0.020 0.000 2.179 531 I HA -0.245 3.928 4.170 0.004 0.000 0.242 531 I C 2.740 178.892 176.117 0.058 0.000 1.088 531 I CA 1.454 62.773 61.300 0.031 0.000 1.357 531 I CB -0.287 37.714 38.000 0.001 0.000 1.051 531 I HN 0.350 nan 8.210 nan 0.000 0.409 532 R N 0.379 120.900 120.500 0.035 0.000 2.080 532 R HA -0.185 4.158 4.340 0.004 0.000 0.236 532 R C 2.300 178.659 176.300 0.098 0.000 1.137 532 R CA 2.309 58.442 56.100 0.055 0.000 0.943 532 R CB -0.376 29.936 30.300 0.020 0.000 0.846 532 R HN 0.279 nan 8.270 nan 0.000 0.431 533 T N 0.564 115.152 114.554 0.057 0.000 2.746 533 T HA -0.130 4.222 4.350 0.004 0.000 0.267 533 T C 1.770 176.500 174.700 0.051 0.000 1.039 533 T CA 1.400 63.526 62.100 0.044 0.000 1.142 533 T CB -0.272 68.610 68.868 0.023 0.000 0.866 533 T HN 0.461 nan 8.240 nan 0.000 0.444 534 A N 0.835 123.692 122.820 0.062 0.000 1.902 534 A HA -0.015 4.307 4.320 0.004 0.000 0.217 534 A C 2.032 179.657 177.584 0.069 0.000 1.181 534 A CA 1.360 53.428 52.037 0.052 0.000 0.623 534 A CB -0.927 18.106 19.000 0.055 0.000 0.818 534 A HN 0.510 nan 8.150 nan 0.000 0.443 535 F N 1.179 121.118 119.950 -0.020 0.000 2.146 535 F HA -0.138 4.391 4.527 0.003 0.000 0.298 535 F C 1.922 177.706 175.800 -0.026 0.000 1.096 535 F CA 1.911 59.899 58.000 -0.021 0.000 1.275 535 F CB -0.145 38.843 39.000 -0.021 0.000 1.008 535 F HN 0.184 nan 8.300 nan 0.000 0.480 536 N N 0.488 119.263 118.700 0.125 0.000 2.309 536 N HA -0.058 4.685 4.740 0.004 0.000 0.182 536 N C 1.985 177.443 175.510 -0.087 0.000 1.018 536 N CA 1.166 54.228 53.050 0.019 0.000 0.876 536 N CB -0.931 37.592 38.487 0.060 0.000 0.972 536 N HN 0.464 nan 8.380 nan 0.000 0.434 537 G N -0.174 108.588 108.800 -0.063 0.000 2.511 537 G HA2 0.004 3.967 3.960 0.004 0.000 0.217 537 G HA3 0.004 3.967 3.960 0.004 0.000 0.217 537 G C 1.322 176.160 174.900 -0.103 0.000 1.133 537 G CA 0.684 45.744 45.100 -0.065 0.000 0.792 537 G HN 0.381 nan 8.290 nan 0.000 0.539 538 A N -0.670 122.053 122.820 -0.163 0.000 2.251 538 A HA 0.314 4.637 4.320 0.004 0.000 0.209 538 A C 1.235 178.679 177.584 -0.233 0.000 1.187 538 A CA 0.232 52.158 52.037 -0.185 0.000 0.823 538 A CB 0.044 18.920 19.000 -0.205 0.000 0.846 538 A HN 0.274 nan 8.150 nan 0.000 0.486 539 Q N 0.757 120.398 119.800 -0.264 0.000 2.260 539 Q HA 0.384 4.727 4.340 0.004 0.000 0.238 539 Q C -0.241 175.678 176.000 -0.135 0.000 0.948 539 Q CA -0.064 55.590 55.803 -0.247 0.000 0.895 539 Q CB 0.778 29.360 28.738 -0.261 0.000 1.218 539 Q HN 0.362 nan 8.270 nan 0.000 0.470 540 R N -0.554 119.885 120.500 -0.102 0.000 2.668 540 R HA 0.538 4.881 4.340 0.004 0.000 0.279 540 R C 0.641 176.920 176.300 -0.034 0.000 0.976 540 R CA -0.126 55.939 56.100 -0.057 0.000 0.978 540 R CB 0.927 31.200 30.300 -0.045 0.000 1.133 540 R HN 0.882 nan 8.270 nan 0.000 0.484 541 G N -0.071 108.718 108.800 -0.019 0.000 2.153 541 G HA2 -0.259 3.704 3.960 0.004 0.000 0.252 541 G HA3 -0.259 3.704 3.960 0.004 0.000 0.252 541 G C 0.803 175.713 174.900 0.016 0.000 0.994 541 G CA 0.767 45.867 45.100 0.000 0.000 0.698 541 G HN 1.218 nan 8.290 nan 0.000 0.521 542 G N -0.904 107.899 108.800 0.005 0.000 2.176 542 G HA2 -0.261 3.702 3.960 0.004 0.000 0.253 542 G HA3 -0.261 3.702 3.960 0.004 0.000 0.253 542 G C 0.410 175.323 174.900 0.022 0.000 0.979 542 G CA 1.276 46.389 45.100 0.022 0.000 0.641 542 G HN 1.400 nan 8.290 nan 0.000 0.530 543 K N 1.237 121.651 120.400 0.023 0.000 2.401 543 K HA 0.436 4.759 4.320 0.004 0.000 0.278 543 K C 0.574 177.154 176.600 -0.033 0.000 1.018 543 K CA 0.476 56.800 56.287 0.062 0.000 0.981 543 K CB 0.111 32.661 32.500 0.083 0.000 0.933 543 K HN 0.668 nan 8.250 nan 0.000 0.477 544 Q N 1.134 120.856 119.800 -0.130 0.000 2.534 544 Q HA 0.448 4.790 4.340 0.004 0.000 0.290 544 Q C -1.740 174.255 176.000 -0.009 0.000 0.991 544 Q CA -1.154 54.584 55.803 -0.108 0.000 0.783 544 Q CB 1.769 30.312 28.738 -0.325 0.000 1.470 544 Q HN 0.337 nan 8.270 nan 0.000 0.406 545 V N 1.479 121.453 119.914 0.101 0.000 2.483 545 V HA 0.556 4.679 4.120 0.004 0.000 0.295 545 V C -0.289 175.826 176.094 0.034 0.000 1.035 545 V CA -0.092 62.240 62.300 0.053 0.000 0.896 545 V CB 1.913 33.679 31.823 -0.096 0.000 0.986 545 V HN 0.962 nan 8.190 nan 0.000 0.447 546 S N 5.619 121.363 115.700 0.075 0.000 2.603 546 S HA 0.235 4.708 4.470 0.004 0.000 0.268 546 S C 0.788 175.405 174.600 0.029 0.000 1.317 546 S CA -0.260 57.976 58.200 0.060 0.000 1.012 546 S CB 1.332 64.583 63.200 0.085 0.000 0.926 546 S HN 0.820 nan 8.310 nan 0.000 0.539 547 L N 1.845 123.079 121.223 0.017 0.000 2.141 547 L HA 0.129 4.471 4.340 0.004 0.000 0.209 547 L C 2.554 179.429 176.870 0.010 0.000 1.094 547 L CA 2.074 56.916 54.840 0.004 0.000 0.763 547 L CB -1.449 40.609 42.059 -0.001 0.000 0.908 547 L HN 0.956 nan 8.230 nan 0.000 0.437 548 A N -0.753 122.078 122.820 0.018 0.000 1.883 548 A HA -0.244 4.079 4.320 0.004 0.000 0.217 548 A C 2.039 179.654 177.584 0.051 0.000 1.186 548 A CA 2.055 54.103 52.037 0.018 0.000 0.624 548 A CB -0.800 18.206 19.000 0.010 0.000 0.822 548 A HN 0.488 nan 8.150 nan 0.000 0.444 549 D N -0.747 119.704 120.400 0.086 0.000 2.144 549 D HA -0.090 4.552 4.640 0.004 0.000 0.200 549 D C 1.817 178.184 176.300 0.111 0.000 0.978 549 D CA 1.044 55.167 54.000 0.204 0.000 0.833 549 D CB -0.300 40.656 40.800 0.259 0.000 0.961 549 D HN 0.327 nan 8.370 nan 0.000 0.470 550 L N 0.615 121.839 121.223 0.001 0.000 2.141 550 L HA -0.027 4.315 4.340 0.004 0.000 0.209 550 L C 2.021 178.854 176.870 -0.061 0.000 1.094 550 L CA 1.114 55.900 54.840 -0.090 0.000 0.763 550 L CB -0.333 41.674 42.059 -0.088 0.000 0.908 550 L HN -0.016 nan 8.230 nan 0.000 0.437 551 I N -1.773 118.792 120.570 -0.009 0.000 2.226 551 I HA -0.275 3.897 4.170 0.004 0.000 0.245 551 I C 2.256 178.399 176.117 0.042 0.000 1.100 551 I CA 1.127 62.434 61.300 0.013 0.000 1.374 551 I CB -0.268 37.740 38.000 0.013 0.000 1.057 551 I HN 0.052 nan 8.210 nan 0.000 0.413 552 V N 0.477 120.430 119.914 0.066 0.000 2.358 552 V HA -0.246 3.876 4.120 0.004 0.000 0.246 552 V C 2.314 178.466 176.094 0.097 0.000 1.047 552 V CA 1.484 63.860 62.300 0.127 0.000 1.035 552 V CB -0.450 31.492 31.823 0.199 0.000 0.658 552 V HN 0.365 nan 8.190 nan 0.000 0.452 553 L N 0.862 121.986 121.223 -0.165 0.000 2.141 553 L HA -0.024 4.318 4.340 0.004 0.000 0.209 553 L C 2.374 179.115 176.870 -0.215 0.000 1.094 553 L CA 2.201 56.726 54.840 -0.524 0.000 0.763 553 L CB -0.756 40.708 42.059 -0.991 0.000 0.908 553 L HN 0.211 nan 8.230 nan 0.000 0.437 554 A N -0.668 122.087 122.820 -0.108 0.000 1.969 554 A HA 0.015 4.337 4.320 0.004 0.000 0.218 554 A C 2.313 179.922 177.584 0.042 0.000 1.169 554 A CA 1.206 53.219 52.037 -0.041 0.000 0.635 554 A CB -1.403 17.583 19.000 -0.024 0.000 0.810 554 A HN 0.504 nan 8.150 nan 0.000 0.445 555 G N -0.748 108.137 108.800 0.141 0.000 2.418 555 G HA2 -0.252 3.710 3.960 0.004 0.000 0.217 555 G HA3 -0.252 3.710 3.960 0.004 0.000 0.217 555 G C 1.566 176.630 174.900 0.274 0.000 1.158 555 G CA 1.323 46.614 45.100 0.318 0.000 0.771 555 G HN 0.512 nan 8.290 nan 0.000 0.545 556 C N 0.926 120.397 119.300 0.285 0.000 2.429 556 C HA 0.175 4.637 4.460 0.004 0.000 0.277 556 C C 3.542 178.544 174.990 0.020 0.000 1.262 556 C CA 0.813 59.950 59.018 0.199 0.000 1.733 556 C CB -0.950 26.910 27.740 0.200 0.000 2.010 556 C HN 0.564 nan 8.230 nan 0.000 0.483 557 A N 0.843 123.656 122.820 -0.013 0.000 1.933 557 A HA 0.062 4.385 4.320 0.004 0.000 0.218 557 A C 2.391 179.946 177.584 -0.048 0.000 1.175 557 A CA 2.039 54.053 52.037 -0.039 0.000 0.628 557 A CB -1.188 17.780 19.000 -0.053 0.000 0.814 557 A HN 0.557 nan 8.150 nan 0.000 0.444 558 G N -0.469 108.304 108.800 -0.045 0.000 2.440 558 G HA2 -0.146 3.816 3.960 0.004 0.000 0.218 558 G HA3 -0.146 3.816 3.960 0.004 0.000 0.218 558 G C 1.505 176.319 174.900 -0.143 0.000 1.154 558 G CA 1.293 46.347 45.100 -0.077 0.000 0.767 558 G HN 0.325 nan 8.290 nan 0.000 0.552 559 V N 0.706 120.487 119.914 -0.222 0.000 2.343 559 V HA -0.165 3.957 4.120 0.004 0.000 0.247 559 V C 2.671 178.675 176.094 -0.150 0.000 1.051 559 V CA 2.171 64.304 62.300 -0.279 0.000 1.036 559 V CB -0.497 31.065 31.823 -0.435 0.000 0.654 559 V HN 0.474 nan 8.190 nan 0.000 0.451 560 E N -0.222 119.924 120.200 -0.091 0.000 2.077 560 E HA -0.317 4.036 4.350 0.004 0.000 0.193 560 E C 2.258 178.833 176.600 -0.042 0.000 0.989 560 E CA 1.532 57.905 56.400 -0.046 0.000 0.800 560 E CB -0.141 29.546 29.700 -0.023 0.000 0.746 560 E HN 0.542 nan 8.360 nan 0.000 0.452 561 Q N 0.838 120.607 119.800 -0.051 0.000 2.124 561 Q HA -0.116 4.227 4.340 0.004 0.000 0.202 561 Q C 1.916 177.886 176.000 -0.050 0.000 0.977 561 Q CA 1.766 57.544 55.803 -0.041 0.000 0.850 561 Q CB -0.271 28.443 28.738 -0.040 0.000 0.901 561 Q HN 0.239 nan 8.270 nan 0.000 0.429 562 A N 0.207 122.977 122.820 -0.084 0.000 1.933 562 A HA -0.024 4.299 4.320 0.004 0.000 0.218 562 A C 2.276 179.813 177.584 -0.080 0.000 1.175 562 A CA 1.724 53.702 52.037 -0.099 0.000 0.628 562 A CB -1.100 17.802 19.000 -0.163 0.000 0.814 562 A HN 0.525 nan 8.150 nan 0.000 0.444 563 A N -0.127 122.649 122.820 -0.073 0.000 1.902 563 A HA -0.161 4.162 4.320 0.004 0.000 0.217 563 A C 2.127 179.734 177.584 0.038 0.000 1.181 563 A CA 1.959 53.976 52.037 -0.034 0.000 0.623 563 A CB -0.470 18.522 19.000 -0.013 0.000 0.818 563 A HN 0.550 nan 8.150 nan 0.000 0.443 564 K N -0.292 120.123 120.400 0.025 0.000 2.063 564 K HA -0.212 4.110 4.320 0.004 0.000 0.208 564 K C 1.533 178.153 176.600 0.034 0.000 1.048 564 K CA 1.697 58.006 56.287 0.036 0.000 0.928 564 K CB -0.232 32.277 32.500 0.015 0.000 0.713 564 K HN 0.406 nan 8.250 nan 0.000 0.442 565 N N 0.435 119.141 118.700 0.011 0.000 2.364 565 N HA -0.134 4.609 4.740 0.004 0.000 0.183 565 N C 1.127 176.653 175.510 0.027 0.000 1.022 565 N CA 1.221 54.277 53.050 0.009 0.000 0.883 565 N CB -0.134 38.345 38.487 -0.013 0.000 0.965 565 N HN 0.297 nan 8.380 nan 0.000 0.438 566 A N -0.496 122.351 122.820 0.045 0.000 2.275 566 A HA 0.463 4.786 4.320 0.004 0.000 0.212 566 A C 1.383 179.088 177.584 0.201 0.000 1.201 566 A CA 0.535 52.625 52.037 0.089 0.000 0.843 566 A CB -0.258 18.756 19.000 0.023 0.000 0.873 566 A HN 0.256 nan 8.150 nan 0.000 0.492 567 G N -0.879 108.007 108.800 0.143 0.000 2.137 567 G HA2 -0.214 3.748 3.960 0.004 0.000 0.237 567 G HA3 -0.214 3.748 3.960 0.004 0.000 0.237 567 G C -0.068 174.889 174.900 0.094 0.000 1.002 567 G CA 0.347 45.510 45.100 0.106 0.000 0.702 567 G HN 0.714 nan 8.290 nan 0.000 0.515 568 H N -0.136 118.944 119.070 0.016 0.000 2.524 568 H HA 0.632 5.190 4.556 0.004 0.000 0.353 568 H C 0.472 175.808 175.328 0.013 0.000 1.136 568 H CA -0.109 55.951 56.048 0.020 0.000 1.193 568 H CB 1.962 31.742 29.762 0.029 0.000 1.558 568 H HN 0.470 nan 8.280 nan 0.000 0.515 569 A N 2.590 125.465 122.820 0.092 0.000 2.322 569 A HA 0.573 4.896 4.320 0.004 0.000 0.269 569 A C -0.349 177.289 177.584 0.091 0.000 1.094 569 A CA -0.290 51.786 52.037 0.064 0.000 0.807 569 A CB 0.646 19.666 19.000 0.034 0.000 1.047 569 A HN 0.401 nan 8.150 nan 0.000 0.487 570 V N 0.293 120.245 119.914 0.063 0.000 3.108 570 V HA 0.414 4.537 4.120 0.004 0.000 0.287 570 V C -0.574 175.546 176.094 0.043 0.000 1.436 570 V CA -0.641 61.696 62.300 0.060 0.000 1.001 570 V CB 2.471 34.328 31.823 0.057 0.000 1.141 570 V HN 0.977 nan 8.190 nan 0.000 0.443 571 T N 2.673 117.255 114.554 0.046 0.000 2.786 571 T HA 0.613 4.965 4.350 0.004 0.000 0.283 571 T C -0.613 174.122 174.700 0.058 0.000 0.992 571 T CA -0.387 61.741 62.100 0.047 0.000 0.954 571 T CB 1.518 70.413 68.868 0.046 0.000 0.934 571 T HN 0.405 nan 8.240 nan 0.000 0.440 572 V N 6.377 126.334 119.914 0.070 0.000 2.394 572 V HA 0.374 4.497 4.120 0.004 0.000 0.282 572 V C -2.040 174.135 176.094 0.135 0.000 1.031 572 V CA -2.012 60.352 62.300 0.107 0.000 0.881 572 V CB 1.144 33.039 31.823 0.120 0.000 0.982 572 V HN 0.698 nan 8.190 nan 0.000 0.451 573 P HA 0.321 nan 4.420 nan 0.000 0.271 573 P C -1.106 176.315 177.300 0.201 0.000 1.218 573 P CA -0.065 63.104 63.100 0.116 0.000 0.780 573 P CB 0.342 32.075 31.700 0.055 0.000 0.901 574 F N 1.283 121.237 119.950 0.007 0.000 2.588 574 F HA 0.637 5.166 4.527 0.004 0.000 0.314 574 F C -1.559 174.226 175.800 -0.026 0.000 1.134 574 F CA -0.881 57.116 58.000 -0.006 0.000 0.961 574 F CB 1.414 40.417 39.000 0.006 0.000 1.239 574 F HN 0.380 nan 8.300 nan 0.000 0.448 575 A N 7.982 130.160 122.820 -1.069 0.000 2.291 575 A HA 0.766 5.088 4.320 0.004 0.000 0.311 575 A C -2.858 174.063 177.584 -1.105 0.000 1.224 575 A CA -1.647 49.914 52.037 -0.793 0.000 0.821 575 A CB 0.643 19.375 19.000 -0.447 0.000 1.172 575 A HN 0.487 nan 8.150 nan 0.000 0.494 576 P HA 0.499 nan 4.420 nan 0.000 0.277 576 P C 0.703 177.879 177.300 -0.206 0.000 1.271 576 P CA 0.871 63.770 63.100 -0.334 0.000 0.795 576 P CB 1.146 32.863 31.700 0.028 0.000 1.101 577 G N -0.920 107.829 108.800 -0.085 0.000 2.273 577 G HA2 -0.132 3.831 3.960 0.004 0.000 0.162 577 G HA3 -0.132 3.831 3.960 0.004 0.000 0.162 577 G C 0.204 175.068 174.900 -0.061 0.000 1.006 577 G CA -0.540 44.514 45.100 -0.077 0.000 0.704 577 G HN 0.516 nan 8.290 nan 0.000 0.487 578 R N 0.672 121.145 120.500 -0.045 0.000 2.694 578 R HA 0.628 4.971 4.340 0.004 0.000 0.268 578 R C 0.561 176.868 176.300 0.011 0.000 1.061 578 R CA 0.737 56.821 56.100 -0.027 0.000 1.133 578 R CB 0.829 31.119 30.300 -0.016 0.000 1.020 578 R HN 0.512 nan 8.270 nan 0.000 0.475 579 A N 1.335 124.158 122.820 0.005 0.000 2.387 579 A HA 0.432 4.755 4.320 0.004 0.000 0.303 579 A C -1.242 176.353 177.584 0.018 0.000 1.145 579 A CA -0.875 51.179 52.037 0.028 0.000 0.801 579 A CB 1.238 20.245 19.000 0.012 0.000 1.342 579 A HN 0.593 nan 8.150 nan 0.000 0.440 580 D N 0.921 121.336 120.400 0.025 0.000 2.256 580 D HA 0.552 5.194 4.640 0.004 0.000 0.240 580 D C 0.042 176.343 176.300 0.001 0.000 1.062 580 D CA 0.312 54.317 54.000 0.009 0.000 0.832 580 D CB 1.721 42.529 40.800 0.013 0.000 1.135 580 D HN 0.711 nan 8.370 nan 0.000 0.484 581 A N 1.799 124.613 122.820 -0.009 0.000 2.286 581 A HA 0.570 4.893 4.320 0.004 0.000 0.286 581 A C 0.608 178.184 177.584 -0.015 0.000 1.097 581 A CA -0.525 51.504 52.037 -0.014 0.000 0.821 581 A CB 0.545 19.534 19.000 -0.018 0.000 1.076 581 A HN 0.519 nan 8.150 nan 0.000 0.490 582 S N 0.234 115.926 115.700 -0.014 0.000 2.669 582 S HA 0.281 4.754 4.470 0.004 0.000 0.270 582 S C 0.868 175.459 174.600 -0.016 0.000 1.225 582 S CA 0.057 58.250 58.200 -0.013 0.000 0.991 582 S CB 1.059 64.254 63.200 -0.009 0.000 0.987 582 S HN 0.734 nan 8.310 nan 0.000 0.552 583 Q N 0.604 120.395 119.800 -0.015 0.000 2.096 583 Q HA -0.142 4.201 4.340 0.004 0.000 0.204 583 Q C 1.588 177.584 176.000 -0.005 0.000 0.982 583 Q CA 2.169 57.963 55.803 -0.015 0.000 0.850 583 Q CB -0.557 28.172 28.738 -0.014 0.000 0.901 583 Q HN 0.866 nan 8.270 nan 0.000 0.422 584 E N -0.106 120.093 120.200 -0.002 0.000 2.204 584 E HA -0.134 4.219 4.350 0.004 0.000 0.194 584 E C 1.280 177.882 176.600 0.003 0.000 0.989 584 E CA 0.967 57.369 56.400 0.004 0.000 0.824 584 E CB 0.020 29.723 29.700 0.004 0.000 0.756 584 E HN 0.489 nan 8.360 nan 0.000 0.477 585 Q N -0.196 119.600 119.800 -0.005 0.000 2.322 585 Q HA 0.104 4.446 4.340 0.004 0.000 0.203 585 Q C -0.407 175.590 176.000 -0.004 0.000 0.923 585 Q CA 0.391 56.187 55.803 -0.011 0.000 0.949 585 Q CB 0.607 29.333 28.738 -0.020 0.000 1.039 585 Q HN -0.015 nan 8.270 nan 0.000 0.496 586 T N 0.986 115.542 114.554 0.003 0.000 2.934 586 T HA 0.058 4.411 4.350 0.004 0.000 0.328 586 T C -1.016 173.700 174.700 0.026 0.000 1.068 586 T CA -0.741 61.364 62.100 0.008 0.000 1.018 586 T CB 0.935 69.795 68.868 -0.013 0.000 1.009 586 T HN 0.031 nan 8.240 nan 0.000 0.471 587 D N 3.185 123.616 120.400 0.051 0.000 2.346 587 D HA 0.056 4.699 4.640 0.004 0.000 0.260 587 D C 1.216 177.561 176.300 0.074 0.000 1.252 587 D CA -0.228 53.814 54.000 0.071 0.000 0.895 587 D CB 1.114 41.977 40.800 0.104 0.000 1.097 587 D HN 0.186 nan 8.370 nan 0.000 0.489 588 V N 4.519 124.471 119.914 0.063 0.000 2.515 588 V HA -0.159 3.964 4.120 0.004 0.000 0.250 588 V C 2.161 178.317 176.094 0.104 0.000 1.058 588 V CA 1.278 63.619 62.300 0.069 0.000 1.064 588 V CB -0.275 31.578 31.823 0.051 0.000 0.675 588 V HN 0.531 nan 8.190 nan 0.000 0.461 589 E N -0.193 120.067 120.200 0.100 0.000 2.072 589 E HA -0.128 4.225 4.350 0.004 0.000 0.190 589 E C 2.465 179.138 176.600 0.121 0.000 0.982 589 E CA 1.416 57.880 56.400 0.108 0.000 0.803 589 E CB -0.538 29.219 29.700 0.095 0.000 0.755 589 E HN 0.526 nan 8.360 nan 0.000 0.453 590 S N 0.503 116.277 115.700 0.125 0.000 2.402 590 S HA -0.140 4.332 4.470 0.004 0.000 0.229 590 S C 1.885 176.574 174.600 0.148 0.000 1.021 590 S CA 1.083 59.365 58.200 0.137 0.000 0.974 590 S CB -0.063 63.228 63.200 0.153 0.000 0.800 590 S HN 0.107 nan 8.310 nan 0.000 0.484 591 M N 1.730 121.426 119.600 0.160 0.000 2.374 591 M HA 0.240 4.722 4.480 0.004 0.000 0.264 591 M C 1.828 178.334 176.300 0.344 0.000 1.067 591 M CA 1.248 56.678 55.300 0.217 0.000 1.103 591 M CB -0.763 31.927 32.600 0.150 0.000 1.402 591 M HN 0.325 nan 8.290 nan 0.000 0.444 592 A N -0.381 122.604 122.820 0.276 0.000 1.978 592 A HA -0.124 4.199 4.320 0.004 0.000 0.220 592 A C 2.051 179.695 177.584 0.100 0.000 1.170 592 A CA 1.931 54.119 52.037 0.252 0.000 0.636 592 A CB -1.556 17.544 19.000 0.166 0.000 0.810 592 A HN 0.667 nan 8.150 nan 0.000 0.448 593 V N -2.625 117.340 119.914 0.085 0.000 3.141 593 V HA 0.033 4.155 4.120 0.004 0.000 0.265 593 V C 1.715 177.789 176.094 -0.033 0.000 1.126 593 V CA 1.415 63.718 62.300 0.004 0.000 1.141 593 V CB -0.750 31.076 31.823 0.005 0.000 0.743 593 V HN 0.451 nan 8.190 nan 0.000 0.492 594 L N 0.336 121.583 121.223 0.040 0.000 2.591 594 L HA 0.254 4.596 4.340 0.004 0.000 0.228 594 L C 1.317 178.018 176.870 -0.281 0.000 1.133 594 L CA 0.246 55.096 54.840 0.016 0.000 0.880 594 L CB -0.286 41.913 42.059 0.233 0.000 1.033 594 L HN 0.439 nan 8.230 nan 0.000 0.450 595 E N 3.567 123.336 120.200 -0.718 0.000 2.417 595 E HA 0.020 4.372 4.350 0.004 0.000 0.261 595 E C -2.027 174.173 176.600 -0.668 0.000 1.000 595 E CA -1.574 53.906 56.400 -1.534 0.000 0.919 595 E CB 0.693 29.538 29.700 -1.423 0.000 0.955 595 E HN -0.011 nan 8.360 nan 0.000 0.455 596 P HA -0.015 nan 4.420 nan 0.000 0.280 596 P C 0.567 177.857 177.300 -0.017 0.000 1.300 596 P CA -0.045 62.974 63.100 -0.136 0.000 0.785 596 P CB 1.051 32.748 31.700 -0.005 0.000 0.874 597 V N 1.113 121.015 119.914 -0.020 0.000 3.406 597 V HA 0.430 4.553 4.120 0.004 0.000 0.263 597 V C 0.695 176.848 176.094 0.099 0.000 1.172 597 V CA 0.677 63.040 62.300 0.104 0.000 1.140 597 V CB -0.611 31.219 31.823 0.011 0.000 0.784 597 V HN 0.513 nan 8.190 nan 0.000 0.467 598 A N 0.529 123.378 122.820 0.049 0.000 2.381 598 A HA 0.725 5.048 4.320 0.004 0.000 0.299 598 A C -1.507 176.181 177.584 0.173 0.000 1.049 598 A CA -0.192 51.877 52.037 0.053 0.000 0.715 598 A CB 1.605 20.547 19.000 -0.097 0.000 1.222 598 A HN 0.287 nan 8.150 nan 0.000 0.428 599 D N 2.191 122.764 120.400 0.289 0.000 2.336 599 D HA 0.393 5.036 4.640 0.004 0.000 0.248 599 D C 1.108 177.560 176.300 0.254 0.000 1.326 599 D CA 0.379 54.580 54.000 0.336 0.000 0.973 599 D CB 1.123 42.195 40.800 0.453 0.000 1.255 599 D HN 0.510 nan 8.370 nan 0.000 0.558 600 G N 1.543 110.384 108.800 0.067 0.000 2.471 600 G HA2 -0.202 3.760 3.960 0.004 0.000 0.219 600 G HA3 -0.202 3.760 3.960 0.004 0.000 0.219 600 G C 1.128 175.914 174.900 -0.189 0.000 1.125 600 G CA 0.310 45.346 45.100 -0.107 0.000 0.775 600 G HN 0.496 nan 8.290 nan 0.000 0.548 601 F N -0.018 119.969 119.950 0.061 0.000 2.604 601 F HA 0.209 4.738 4.527 0.003 0.000 0.298 601 F C 2.526 178.195 175.800 -0.220 0.000 1.131 601 F CA 0.557 58.466 58.000 -0.152 0.000 1.457 601 F CB 0.303 39.139 39.000 -0.275 0.000 1.095 601 F HN -0.010 nan 8.300 nan 0.000 0.574 602 R N -0.210 120.379 120.500 0.149 0.000 2.543 602 R HA 0.096 4.438 4.340 0.004 0.000 0.323 602 R C 0.046 176.431 176.300 0.141 0.000 1.002 602 R CA -0.173 55.993 56.100 0.111 0.000 1.106 602 R CB -0.041 30.393 30.300 0.224 0.000 1.280 602 R HN -0.046 nan 8.270 nan 0.000 0.549 603 N N 0.998 119.760 118.700 0.103 0.000 2.725 603 N HA -0.279 4.463 4.740 0.004 0.000 0.251 603 N C -1.585 174.043 175.510 0.196 0.000 1.031 603 N CA 0.905 54.020 53.050 0.109 0.000 0.720 603 N CB -0.974 37.567 38.487 0.089 0.000 0.930 603 N HN 0.339 nan 8.380 nan 0.000 0.543 604 Y N 0.117 120.471 120.300 0.090 0.000 2.352 604 Y HA 0.671 5.224 4.550 0.006 0.000 0.339 604 Y C -0.656 175.313 175.900 0.115 0.000 0.992 604 Y CA -0.843 57.321 58.100 0.108 0.000 1.100 604 Y CB 0.994 39.529 38.460 0.124 0.000 1.192 604 Y HN 0.116 nan 8.280 nan 0.000 0.458 605 L N 7.275 128.134 121.223 -0.607 0.000 2.438 605 L HA 0.412 4.754 4.340 0.004 0.000 0.270 605 L C 0.685 177.163 176.870 -0.654 0.000 0.972 605 L CA -0.653 53.916 54.840 -0.451 0.000 0.831 605 L CB 2.219 44.215 42.059 -0.106 0.000 1.273 605 L HN 0.683 nan 8.230 nan 0.000 0.405 606 K N 1.615 121.738 120.400 -0.462 0.000 2.155 606 K HA 0.125 4.447 4.320 0.004 0.000 0.203 606 K C 0.695 177.205 176.600 -0.149 0.000 1.052 606 K CA 1.122 57.266 56.287 -0.239 0.000 0.948 606 K CB 0.370 32.930 32.500 0.100 0.000 0.728 606 K HN 0.843 nan 8.250 nan 0.000 0.448 607 G N 0.117 108.762 108.800 -0.257 0.000 2.947 607 G HA2 0.184 4.147 3.960 0.004 0.000 0.293 607 G HA3 0.184 4.147 3.960 0.004 0.000 0.293 607 G C -1.720 172.740 174.900 -0.733 0.000 1.243 607 G CA -0.664 44.169 45.100 -0.445 0.000 0.802 607 G HN 0.038 nan 8.290 nan 0.000 0.560 608 K N 0.165 120.167 120.400 -0.663 0.000 2.240 608 K HA 0.470 4.793 4.320 0.004 0.000 0.271 608 K C -1.727 174.476 176.600 -0.662 0.000 1.018 608 K CA -0.403 55.565 56.287 -0.531 0.000 0.874 608 K CB 0.743 33.095 32.500 -0.246 0.000 1.098 608 K HN 0.516 nan 8.250 nan 0.000 0.458 609 Y N 2.051 122.321 120.300 -0.050 0.000 2.567 609 Y HA 0.342 4.894 4.550 0.003 0.000 0.333 609 Y C 1.734 177.607 175.900 -0.045 0.000 1.106 609 Y CA -1.079 56.990 58.100 -0.051 0.000 1.157 609 Y CB 1.359 39.781 38.460 -0.063 0.000 1.277 609 Y HN 0.504 nan 8.280 nan 0.000 0.490 610 R N -0.227 120.347 120.500 0.125 0.000 2.090 610 R HA 0.034 4.376 4.340 0.004 0.000 0.228 610 R C -0.084 176.236 176.300 0.034 0.000 1.110 610 R CA 0.684 56.814 56.100 0.049 0.000 0.973 610 R CB -1.049 29.266 30.300 0.026 0.000 0.869 610 R HN 0.341 nan 8.270 nan 0.000 0.440 611 V N 4.777 124.710 119.914 0.031 0.000 2.555 611 V HA 0.168 4.291 4.120 0.004 0.000 0.286 611 V C -2.023 174.075 176.094 0.007 0.000 1.044 611 V CA -1.651 60.633 62.300 -0.027 0.000 1.026 611 V CB 1.032 32.796 31.823 -0.098 0.000 0.981 611 V HN 0.176 nan 8.190 nan 0.000 0.480 612 P HA 0.195 nan 4.420 nan 0.000 0.271 612 P C 0.594 177.892 177.300 -0.004 0.000 1.218 612 P CA -0.217 62.889 63.100 0.010 0.000 0.780 612 P CB 0.909 32.612 31.700 0.004 0.000 0.901 613 A N 3.350 126.180 122.820 0.017 0.000 1.986 613 A HA -0.220 4.102 4.320 0.004 0.000 0.220 613 A C 1.803 179.362 177.584 -0.041 0.000 1.171 613 A CA 1.664 53.704 52.037 0.004 0.000 0.640 613 A CB -0.908 18.107 19.000 0.026 0.000 0.811 613 A HN 0.691 nan 8.150 nan 0.000 0.451 614 E N 0.135 120.300 120.200 -0.058 0.000 2.285 614 E HA -0.067 4.286 4.350 0.004 0.000 0.194 614 E C 1.753 178.282 176.600 -0.119 0.000 0.997 614 E CA 1.307 57.639 56.400 -0.112 0.000 0.845 614 E CB -0.791 28.821 29.700 -0.147 0.000 0.782 614 E HN 0.350 nan 8.360 nan 0.000 0.491 615 V N 1.852 121.711 119.914 -0.091 0.000 2.427 615 V HA -0.206 3.916 4.120 0.004 0.000 0.248 615 V C 2.598 178.632 176.094 -0.100 0.000 1.051 615 V CA 1.307 63.550 62.300 -0.096 0.000 1.048 615 V CB -0.530 31.240 31.823 -0.088 0.000 0.666 615 V HN 0.197 nan 8.190 nan 0.000 0.456 616 L N -0.705 120.461 121.223 -0.095 0.000 2.141 616 L HA -0.141 4.201 4.340 0.004 0.000 0.209 616 L C 2.405 179.232 176.870 -0.070 0.000 1.094 616 L CA 1.006 55.787 54.840 -0.099 0.000 0.763 616 L CB -0.542 41.449 42.059 -0.113 0.000 0.908 616 L HN 0.350 nan 8.230 nan 0.000 0.437 617 L N -0.476 120.695 121.223 -0.088 0.000 2.027 617 L HA -0.128 4.214 4.340 0.004 0.000 0.206 617 L C 2.378 179.214 176.870 -0.058 0.000 1.074 617 L CA 1.614 56.384 54.840 -0.116 0.000 0.745 617 L CB -0.377 41.573 42.059 -0.181 0.000 0.898 617 L HN -0.109 nan 8.230 nan 0.000 0.433 618 V N 0.223 120.091 119.914 -0.077 0.000 2.332 618 V HA -0.329 3.793 4.120 0.004 0.000 0.248 618 V C 2.354 178.441 176.094 -0.011 0.000 1.055 618 V CA 2.032 64.304 62.300 -0.047 0.000 1.038 618 V CB -0.864 30.900 31.823 -0.098 0.000 0.651 618 V HN 0.635 nan 8.190 nan 0.000 0.450 619 D N 0.090 120.469 120.400 -0.035 0.000 2.123 619 D HA -0.254 4.389 4.640 0.004 0.000 0.196 619 D C 2.109 178.425 176.300 0.025 0.000 0.992 619 D CA 1.615 55.597 54.000 -0.029 0.000 0.833 619 D CB -0.106 40.650 40.800 -0.073 0.000 0.954 619 D HN 0.280 nan 8.370 nan 0.000 0.455 620 K N 0.379 120.824 120.400 0.075 0.000 2.057 620 K HA 0.041 4.363 4.320 0.004 0.000 0.206 620 K C 1.865 178.621 176.600 0.260 0.000 1.050 620 K CA 1.529 57.919 56.287 0.173 0.000 0.935 620 K CB -0.791 31.871 32.500 0.271 0.000 0.715 620 K HN 0.139 nan 8.250 nan 0.000 0.439 621 A N 0.809 123.820 122.820 0.318 0.000 1.940 621 A HA -0.210 4.112 4.320 0.004 0.000 0.219 621 A C 2.222 179.904 177.584 0.163 0.000 1.176 621 A CA 1.715 53.945 52.037 0.322 0.000 0.631 621 A CB -0.644 18.546 19.000 0.316 0.000 0.814 621 A HN 0.491 nan 8.150 nan 0.000 0.446 622 Q N -0.202 119.655 119.800 0.095 0.000 2.119 622 Q HA -0.098 4.244 4.340 0.004 0.000 0.201 622 Q C 2.045 178.085 176.000 0.067 0.000 0.972 622 Q CA 1.416 57.254 55.803 0.057 0.000 0.847 622 Q CB -0.240 28.509 28.738 0.017 0.000 0.903 622 Q HN 0.730 nan 8.270 nan 0.000 0.433 623 L N 0.229 121.489 121.223 0.060 0.000 2.141 623 L HA -0.137 4.205 4.340 0.004 0.000 0.209 623 L C 2.244 179.174 176.870 0.101 0.000 1.094 623 L CA 0.571 55.435 54.840 0.040 0.000 0.763 623 L CB -0.267 41.794 42.059 0.004 0.000 0.908 623 L HN 0.173 nan 8.230 nan 0.000 0.437 624 L N -0.108 121.192 121.223 0.127 0.000 2.610 624 L HA -0.041 4.302 4.340 0.004 0.000 0.232 624 L C 1.220 178.166 176.870 0.127 0.000 1.149 624 L CA 0.758 55.682 54.840 0.140 0.000 0.872 624 L CB -0.784 41.308 42.059 0.054 0.000 0.992 624 L HN 0.568 nan 8.230 nan 0.000 0.447 625 T N -3.311 111.321 114.554 0.131 0.000 4.458 625 T HA -0.233 4.120 4.350 0.004 0.000 0.317 625 T C -0.001 174.752 174.700 0.089 0.000 0.916 625 T CA 0.493 62.662 62.100 0.115 0.000 2.068 625 T CB -2.621 66.325 68.868 0.130 0.000 1.908 625 T HN 0.199 nan 8.240 nan 0.000 0.934 626 L N 1.902 123.183 121.223 0.097 0.000 2.334 626 L HA 0.653 4.996 4.340 0.004 0.000 0.277 626 L C 1.360 178.304 176.870 0.122 0.000 1.075 626 L CA -0.501 54.403 54.840 0.106 0.000 0.804 626 L CB 1.474 43.615 42.059 0.137 0.000 1.174 626 L HN 0.570 nan 8.230 nan 0.000 0.438 627 S N 1.360 117.154 115.700 0.156 0.000 2.655 627 S HA 0.397 4.869 4.470 0.004 0.000 0.265 627 S C 1.039 175.801 174.600 0.269 0.000 1.240 627 S CA -0.142 58.204 58.200 0.243 0.000 0.986 627 S CB 1.470 64.855 63.200 0.308 0.000 0.985 627 S HN 0.682 nan 8.310 nan 0.000 0.562 628 A N 0.757 123.848 122.820 0.451 0.000 1.902 628 A HA 0.116 4.439 4.320 0.004 0.000 0.217 628 A C -0.446 177.329 177.584 0.318 0.000 1.181 628 A CA 1.321 53.563 52.037 0.343 0.000 0.623 628 A CB -2.123 17.111 19.000 0.389 0.000 0.818 628 A HN 0.709 nan 8.150 nan 0.000 0.443 629 P HA -0.128 nan 4.420 nan 0.000 0.217 629 P C 1.169 178.602 177.300 0.221 0.000 1.150 629 P CA 1.402 64.669 63.100 0.278 0.000 0.832 629 P CB -0.040 31.799 31.700 0.232 0.000 0.787 630 E N -0.978 119.333 120.200 0.186 0.000 2.072 630 E HA -0.177 4.176 4.350 0.004 0.000 0.191 630 E C 1.988 178.686 176.600 0.163 0.000 0.985 630 E CA 0.985 57.457 56.400 0.121 0.000 0.801 630 E CB -0.515 29.242 29.700 0.095 0.000 0.750 630 E HN 0.210 nan 8.360 nan 0.000 0.452 631 M N 0.642 120.399 119.600 0.262 0.000 2.108 631 M HA -0.186 4.296 4.480 0.004 0.000 0.261 631 M C 2.003 178.523 176.300 0.367 0.000 1.066 631 M CA 1.647 57.202 55.300 0.425 0.000 1.107 631 M CB -0.136 32.716 32.600 0.420 0.000 1.356 631 M HN -0.006 nan 8.290 nan 0.000 0.406 632 T N 0.091 114.832 114.554 0.310 0.000 2.674 632 T HA -0.158 4.194 4.350 0.004 0.000 0.265 632 T C 1.714 176.476 174.700 0.103 0.000 1.039 632 T CA 1.775 64.001 62.100 0.210 0.000 1.150 632 T CB -0.519 68.572 68.868 0.372 0.000 0.864 632 T HN 0.356 nan 8.240 nan 0.000 0.427 633 V N 1.270 121.180 119.914 -0.008 0.000 2.427 633 V HA -0.048 4.075 4.120 0.004 0.000 0.248 633 V C 2.280 178.513 176.094 0.232 0.000 1.051 633 V CA 1.258 63.524 62.300 -0.058 0.000 1.048 633 V CB -0.381 31.196 31.823 -0.410 0.000 0.666 633 V HN 0.359 nan 8.190 nan 0.000 0.456 634 L N -0.240 121.072 121.223 0.147 0.000 2.017 634 L HA -0.142 4.200 4.340 0.004 0.000 0.208 634 L C 2.216 179.205 176.870 0.199 0.000 1.073 634 L CA 2.442 57.382 54.840 0.167 0.000 0.745 634 L CB -0.716 41.336 42.059 -0.010 0.000 0.894 634 L HN 0.377 nan 8.230 nan 0.000 0.432 635 L N -0.896 120.402 121.223 0.125 0.000 2.017 635 L HA -0.080 4.262 4.340 0.004 0.000 0.208 635 L C 2.293 178.817 176.870 -0.577 0.000 1.073 635 L CA 1.790 56.525 54.840 -0.175 0.000 0.745 635 L CB -0.961 40.869 42.059 -0.381 0.000 0.894 635 L HN 0.387 nan 8.230 nan 0.000 0.432 636 G N -1.250 107.146 108.800 -0.674 0.000 2.432 636 G HA2 -0.186 3.776 3.960 0.004 0.000 0.219 636 G HA3 -0.186 3.776 3.960 0.004 0.000 0.219 636 G C 1.408 176.002 174.900 -0.511 0.000 1.135 636 G CA 0.575 44.977 45.100 -1.162 0.000 0.767 636 G HN 0.574 nan 8.290 nan 0.000 0.550 637 G N 0.814 109.600 108.800 -0.023 0.000 2.395 637 G HA2 -0.067 3.896 3.960 0.004 0.000 0.214 637 G HA3 -0.067 3.896 3.960 0.004 0.000 0.214 637 G C 1.766 176.471 174.900 -0.325 0.000 1.177 637 G CA 0.449 45.439 45.100 -0.183 0.000 0.794 637 G HN 0.396 nan 8.290 nan 0.000 0.532 638 L N 0.035 121.180 121.223 -0.131 0.000 2.079 638 L HA -0.086 4.257 4.340 0.004 0.000 0.210 638 L C 3.180 179.897 176.870 -0.255 0.000 1.081 638 L CA 0.757 55.494 54.840 -0.172 0.000 0.752 638 L CB -0.284 41.648 42.059 -0.211 0.000 0.896 638 L HN 0.079 nan 8.230 nan 0.000 0.433 639 R N -0.032 120.250 120.500 -0.363 0.000 2.081 639 R HA -0.121 4.222 4.340 0.004 0.000 0.235 639 R C 2.181 178.326 176.300 -0.259 0.000 1.131 639 R CA 1.792 57.681 56.100 -0.353 0.000 0.960 639 R CB -0.916 29.054 30.300 -0.550 0.000 0.856 639 R HN 0.461 nan 8.270 nan 0.000 0.436 640 V N -1.636 118.116 119.914 -0.271 0.000 3.306 640 V HA 0.046 4.168 4.120 0.004 0.000 0.264 640 V C 1.885 177.873 176.094 -0.176 0.000 1.149 640 V CA 1.026 63.207 62.300 -0.199 0.000 1.143 640 V CB -0.472 31.230 31.823 -0.202 0.000 0.767 640 V HN 0.090 nan 8.190 nan 0.000 0.476 641 L N 1.354 122.452 121.223 -0.208 0.000 2.558 641 L HA 0.453 4.796 4.340 0.004 0.000 0.225 641 L C 1.788 178.588 176.870 -0.117 0.000 1.128 641 L CA 0.785 55.517 54.840 -0.181 0.000 0.868 641 L CB -0.394 41.521 42.059 -0.239 0.000 1.006 641 L HN 0.629 nan 8.230 nan 0.000 0.454 642 G N -0.096 108.642 108.800 -0.103 0.000 2.142 642 G HA2 -0.264 3.699 3.960 0.004 0.000 0.225 642 G HA3 -0.264 3.699 3.960 0.004 0.000 0.225 642 G C 0.738 175.614 174.900 -0.040 0.000 1.015 642 G CA 0.206 45.271 45.100 -0.059 0.000 0.716 642 G HN 0.389 nan 8.290 nan 0.000 0.508 643 A N -0.584 122.198 122.820 -0.062 0.000 2.208 643 A HA 0.328 4.651 4.320 0.004 0.000 0.209 643 A C 1.189 178.766 177.584 -0.011 0.000 1.161 643 A CA 0.598 52.617 52.037 -0.030 0.000 0.782 643 A CB -0.100 18.846 19.000 -0.091 0.000 0.816 643 A HN 0.452 nan 8.150 nan 0.000 0.477 644 N N 0.357 119.044 118.700 -0.023 0.000 2.454 644 N HA 0.182 4.925 4.740 0.004 0.000 0.254 644 N C -0.053 175.489 175.510 0.054 0.000 1.228 644 N CA 0.113 53.172 53.050 0.016 0.000 0.900 644 N CB 0.653 39.140 38.487 0.001 0.000 1.089 644 N HN 0.032 nan 8.380 nan 0.000 0.449 645 V N 1.458 121.430 119.914 0.098 0.000 2.694 645 V HA 0.109 4.231 4.120 0.004 0.000 0.306 645 V C 1.561 177.708 176.094 0.088 0.000 1.054 645 V CA 1.026 63.385 62.300 0.098 0.000 1.161 645 V CB 0.276 32.188 31.823 0.148 0.000 0.916 645 V HN 0.971 nan 8.190 nan 0.000 0.490 646 G N 3.693 112.533 108.800 0.067 0.000 2.203 646 G HA2 -0.301 3.661 3.960 0.004 0.000 0.263 646 G HA3 -0.301 3.661 3.960 0.004 0.000 0.263 646 G C 0.414 175.331 174.900 0.028 0.000 1.012 646 G CA 0.403 45.534 45.100 0.052 0.000 0.749 646 G HN 0.928 nan 8.290 nan 0.000 0.512 647 Q N -1.874 117.939 119.800 0.023 0.000 2.461 647 Q HA -0.227 4.116 4.340 0.004 0.000 0.264 647 Q C 0.922 176.913 176.000 -0.014 0.000 1.085 647 Q CA 1.443 57.250 55.803 0.007 0.000 1.006 647 Q CB -2.109 26.634 28.738 0.010 0.000 1.437 647 Q HN 1.458 nan 8.270 nan 0.000 0.514 648 S N 0.015 115.699 115.700 -0.027 0.000 2.561 648 S HA 0.010 4.483 4.470 0.004 0.000 0.294 648 S C 1.334 175.880 174.600 -0.089 0.000 1.294 648 S CA 0.041 58.177 58.200 -0.108 0.000 1.055 648 S CB 0.516 63.650 63.200 -0.110 0.000 0.819 648 S HN 0.262 nan 8.310 nan 0.000 0.503 649 R N 2.715 123.148 120.500 -0.111 0.000 2.310 649 R HA 0.055 4.397 4.340 0.004 0.000 0.202 649 R C 0.036 176.407 176.300 0.117 0.000 0.933 649 R CA 0.175 56.290 56.100 0.025 0.000 1.054 649 R CB -0.497 29.859 30.300 0.093 0.000 0.985 649 R HN 0.732 nan 8.270 nan 0.000 0.489 650 H N 0.275 119.403 119.070 0.097 0.000 2.929 650 H HA 0.094 4.653 4.556 0.005 0.000 0.317 650 H C 1.225 176.517 175.328 -0.061 0.000 1.031 650 H CA 0.382 56.497 56.048 0.111 0.000 1.466 650 H CB 0.643 30.474 29.762 0.114 0.000 1.482 650 H HN 0.365 nan 8.280 nan 0.000 0.561 651 G N 2.522 111.268 108.800 -0.089 0.000 2.189 651 G HA2 -0.310 3.653 3.960 0.004 0.000 0.267 651 G HA3 -0.310 3.653 3.960 0.004 0.000 0.267 651 G C 0.363 174.708 174.900 -0.926 0.000 0.975 651 G CA 0.325 44.889 45.100 -0.894 0.000 0.644 651 G HN 0.527 nan 8.290 nan 0.000 0.537 652 V N 1.781 121.472 119.914 -0.372 0.000 2.071 652 V HA 0.331 4.454 4.120 0.004 0.000 0.254 652 V C 0.599 176.620 176.094 -0.122 0.000 1.456 652 V CA -0.069 62.114 62.300 -0.194 0.000 1.383 652 V CB -0.791 31.017 31.823 -0.025 0.000 1.433 652 V HN 0.333 nan 8.190 nan 0.000 0.499 653 F N 2.040 121.772 119.950 -0.363 0.000 2.640 653 F HA 0.421 4.951 4.527 0.005 0.000 0.354 653 F C 0.868 176.247 175.800 -0.702 0.000 1.213 653 F CA -0.199 57.129 58.000 -1.120 0.000 1.314 653 F CB 0.405 38.638 39.000 -1.279 0.000 1.679 653 F HN 0.377 nan 8.300 nan 0.000 0.622 654 T N -0.154 114.360 114.554 -0.068 0.000 2.942 654 T HA 0.538 4.890 4.350 0.004 0.000 0.327 654 T C 0.059 174.922 174.700 0.272 0.000 1.360 654 T CA -0.243 61.922 62.100 0.107 0.000 1.055 654 T CB 1.659 70.527 68.868 0.001 0.000 1.261 654 T HN 0.263 nan 8.240 nan 0.000 0.485 655 A N 3.202 126.161 122.820 0.231 0.000 2.345 655 A HA 0.321 4.643 4.320 0.004 0.000 0.225 655 A C 0.905 178.544 177.584 0.092 0.000 1.243 655 A CA -0.167 51.970 52.037 0.166 0.000 0.875 655 A CB -0.097 18.984 19.000 0.136 0.000 0.929 655 A HN 0.670 nan 8.150 nan 0.000 0.502 656 R N 0.565 121.105 120.500 0.067 0.000 2.748 656 R HA 0.386 4.729 4.340 0.004 0.000 0.283 656 R C -0.657 175.646 176.300 0.004 0.000 1.507 656 R CA -0.416 55.702 56.100 0.030 0.000 1.666 656 R CB 0.072 30.384 30.300 0.021 0.000 1.237 656 R HN 0.347 nan 8.270 nan 0.000 0.633 657 E N 1.930 122.136 120.200 0.011 0.000 2.415 657 E HA -0.106 4.247 4.350 0.004 0.000 0.262 657 E C -0.224 176.356 176.600 -0.034 0.000 1.038 657 E CA 0.576 56.966 56.400 -0.016 0.000 0.921 657 E CB 0.474 30.174 29.700 0.000 0.000 0.950 657 E HN 0.520 nan 8.360 nan 0.000 0.438 658 Q N -1.331 118.431 119.800 -0.063 0.000 2.429 658 Q HA -0.244 4.099 4.340 0.004 0.000 0.232 658 Q C -1.066 174.888 176.000 -0.077 0.000 0.724 658 Q CA 0.635 56.395 55.803 -0.072 0.000 1.287 658 Q CB -1.728 26.981 28.738 -0.048 0.000 1.429 658 Q HN 0.472 nan 8.270 nan 0.000 0.721 659 A N 0.750 123.524 122.820 -0.077 0.000 2.342 659 A HA 0.670 4.993 4.320 0.004 0.000 0.323 659 A C -0.586 176.933 177.584 -0.109 0.000 1.125 659 A CA -0.599 51.395 52.037 -0.072 0.000 0.785 659 A CB 1.116 20.094 19.000 -0.037 0.000 1.221 659 A HN 0.170 nan 8.150 nan 0.000 0.463 660 L N 3.682 124.831 121.223 -0.123 0.000 2.334 660 L HA 0.516 4.859 4.340 0.004 0.000 0.286 660 L C 0.480 177.322 176.870 -0.047 0.000 1.108 660 L CA 0.827 55.584 54.840 -0.139 0.000 0.875 660 L CB -0.174 41.763 42.059 -0.204 0.000 1.246 660 L HN 0.861 nan 8.230 nan 0.000 0.439 661 T N 0.224 114.739 114.554 -0.066 0.000 2.865 661 T HA 0.383 4.735 4.350 0.004 0.000 0.294 661 T C 0.480 174.854 174.700 -0.543 0.000 1.119 661 T CA -0.590 61.425 62.100 -0.141 0.000 1.007 661 T CB 1.184 69.990 68.868 -0.103 0.000 1.225 661 T HN 0.474 nan 8.240 nan 0.000 0.515 662 N N -0.009 118.346 118.700 -0.575 0.000 2.362 662 N HA 0.036 4.778 4.740 0.004 0.000 0.211 662 N C 0.206 175.595 175.510 -0.202 0.000 1.170 662 N CA -0.098 52.555 53.050 -0.662 0.000 0.828 662 N CB -0.360 37.967 38.487 -0.266 0.000 1.034 662 N HN 0.540 nan 8.380 nan 0.000 0.475 663 D N 0.456 120.735 120.400 -0.202 0.000 2.221 663 D HA -0.156 4.486 4.640 0.004 0.000 0.204 663 D C 1.187 177.399 176.300 -0.148 0.000 0.982 663 D CA 0.583 54.517 54.000 -0.109 0.000 0.857 663 D CB -0.307 40.444 40.800 -0.083 0.000 0.934 663 D HN 0.376 nan 8.370 nan 0.000 0.475 664 F N 0.230 119.916 119.950 -0.440 0.000 2.126 664 F HA -0.215 4.315 4.527 0.005 0.000 0.299 664 F C 1.839 177.358 175.800 -0.468 0.000 1.096 664 F CA 1.424 59.097 58.000 -0.545 0.000 1.255 664 F CB -0.347 38.093 39.000 -0.935 0.000 0.997 664 F HN -0.114 nan 8.300 nan 0.000 0.479 665 F N -0.658 119.282 119.950 -0.017 0.000 2.187 665 F HA -0.104 4.425 4.527 0.004 0.000 0.295 665 F C 2.293 178.034 175.800 -0.097 0.000 1.091 665 F CA 1.089 59.064 58.000 -0.042 0.000 1.308 665 F CB -1.000 38.047 39.000 0.078 0.000 1.030 665 F HN -0.240 nan 8.300 nan 0.000 0.487 666 V N 0.361 120.330 119.914 0.091 0.000 2.343 666 V HA -0.271 3.852 4.120 0.004 0.000 0.247 666 V C 2.059 178.135 176.094 -0.029 0.000 1.051 666 V CA 1.869 64.194 62.300 0.042 0.000 1.036 666 V CB -0.594 31.254 31.823 0.041 0.000 0.654 666 V HN 0.350 nan 8.190 nan 0.000 0.451 667 N N 0.011 118.640 118.700 -0.117 0.000 2.216 667 N HA -0.086 4.656 4.740 0.004 0.000 0.183 667 N C 1.702 177.026 175.510 -0.310 0.000 1.017 667 N CA 1.114 54.057 53.050 -0.177 0.000 0.861 667 N CB -0.333 37.956 38.487 -0.330 0.000 0.986 667 N HN 0.409 nan 8.380 nan 0.000 0.428 668 L N 1.081 122.037 121.223 -0.444 0.000 2.083 668 L HA 0.006 4.348 4.340 0.004 0.000 0.209 668 L C 1.572 178.327 176.870 -0.191 0.000 1.083 668 L CA 1.436 55.980 54.840 -0.492 0.000 0.752 668 L CB -0.406 41.303 42.059 -0.584 0.000 0.899 668 L HN 0.077 nan 8.230 nan 0.000 0.433 669 L N -0.390 120.779 121.223 -0.090 0.000 2.612 669 L HA 0.099 4.441 4.340 0.004 0.000 0.230 669 L C 0.221 177.105 176.870 0.024 0.000 1.140 669 L CA -0.203 54.633 54.840 -0.007 0.000 0.896 669 L CB -0.640 41.441 42.059 0.036 0.000 1.065 669 L HN 0.188 nan 8.230 nan 0.000 0.447 670 D N 0.933 121.352 120.400 0.033 0.000 2.338 670 D HA -0.017 4.625 4.640 0.004 0.000 0.255 670 D C 0.903 177.245 176.300 0.069 0.000 1.237 670 D CA -0.085 53.946 54.000 0.051 0.000 0.883 670 D CB 1.262 42.101 40.800 0.065 0.000 1.087 670 D HN -0.080 nan 8.370 nan 0.000 0.485 671 M N 3.322 122.951 119.600 0.049 0.000 2.700 671 M HA 0.134 4.616 4.480 0.004 0.000 0.249 671 M C 1.642 177.958 176.300 0.025 0.000 1.082 671 M CA 0.608 55.936 55.300 0.046 0.000 1.077 671 M CB -0.253 32.364 32.600 0.028 0.000 1.477 671 M HN 0.413 nan 8.290 nan 0.000 0.529 672 G N -0.873 107.936 108.800 0.015 0.000 2.848 672 G HA2 0.011 3.974 3.960 0.004 0.000 0.208 672 G HA3 0.011 3.974 3.960 0.004 0.000 0.208 672 G C 0.198 175.069 174.900 -0.049 0.000 1.152 672 G CA 0.273 45.364 45.100 -0.015 0.000 0.789 672 G HN 0.446 nan 8.290 nan 0.000 0.531 673 T N 0.020 114.548 114.554 -0.042 0.000 2.807 673 T HA 0.476 4.828 4.350 0.004 0.000 0.279 673 T C -0.825 173.762 174.700 -0.190 0.000 0.993 673 T CA -0.511 61.482 62.100 -0.179 0.000 0.970 673 T CB 2.634 71.390 68.868 -0.187 0.000 0.950 673 T HN 0.249 nan 8.240 nan 0.000 0.441 674 E N 2.038 122.058 120.200 -0.301 0.000 2.195 674 E HA 0.449 4.801 4.350 0.004 0.000 0.271 674 E C -1.436 174.974 176.600 -0.317 0.000 0.923 674 E CA -0.824 55.478 56.400 -0.164 0.000 0.790 674 E CB 1.178 30.826 29.700 -0.086 0.000 1.155 674 E HN 0.553 nan 8.360 nan 0.000 0.402 675 W N 2.894 124.207 121.300 0.020 0.000 2.666 675 W HA 0.498 5.161 4.660 0.004 0.000 0.334 675 W C -0.471 176.119 176.519 0.118 0.000 1.051 675 W CA -0.628 56.758 57.345 0.067 0.000 1.224 675 W CB 1.795 31.267 29.460 0.019 0.000 1.405 675 W HN 0.310 nan 8.180 nan 0.000 0.513 676 K N 2.904 123.542 120.400 0.397 0.000 2.523 676 K HA 0.380 4.702 4.320 0.004 0.000 0.257 676 K C -2.697 174.092 176.600 0.316 0.000 0.932 676 K CA -1.911 54.564 56.287 0.312 0.000 0.812 676 K CB 2.557 35.139 32.500 0.136 0.000 1.326 676 K HN 0.022 nan 8.250 nan 0.000 0.433 677 P HA -0.024 nan 4.420 nan 0.000 0.272 677 P C -0.347 176.865 177.300 -0.147 0.000 1.223 677 P CA -0.218 62.720 63.100 -0.270 0.000 0.784 677 P CB 0.377 31.897 31.700 -0.300 0.000 0.923 678 T N -1.618 112.817 114.554 -0.198 0.000 2.899 678 T HA 0.373 4.725 4.350 0.004 0.000 0.295 678 T C 1.457 176.105 174.700 -0.087 0.000 1.033 678 T CA -0.120 61.924 62.100 -0.094 0.000 1.084 678 T CB 0.647 69.472 68.868 -0.072 0.000 0.979 678 T HN 0.397 nan 8.240 nan 0.000 0.532 679 A N 1.761 124.552 122.820 -0.048 0.000 1.968 679 A HA 0.279 4.602 4.320 0.004 0.000 0.217 679 A C 2.598 180.157 177.584 -0.041 0.000 1.169 679 A CA 1.333 53.347 52.037 -0.039 0.000 0.638 679 A CB -1.370 17.616 19.000 -0.023 0.000 0.812 679 A HN 1.207 nan 8.150 nan 0.000 0.446 680 A N -1.170 121.628 122.820 -0.037 0.000 1.902 680 A HA -0.029 4.294 4.320 0.004 0.000 0.217 680 A C 0.936 178.492 177.584 -0.046 0.000 1.181 680 A CA 1.670 53.688 52.037 -0.032 0.000 0.623 680 A CB -0.077 18.913 19.000 -0.017 0.000 0.818 680 A HN 0.410 nan 8.150 nan 0.000 0.443 681 D N -2.537 117.819 120.400 -0.074 0.000 2.616 681 D HA 0.531 5.174 4.640 0.004 0.000 0.238 681 D C 0.325 176.517 176.300 -0.180 0.000 1.354 681 D CA 0.278 54.219 54.000 -0.098 0.000 0.970 681 D CB 1.480 42.233 40.800 -0.078 0.000 1.369 681 D HN 0.060 nan 8.370 nan 0.000 0.585 682 A N 3.059 125.777 122.820 -0.171 0.000 2.209 682 A HA -0.052 4.270 4.320 0.004 0.000 0.212 682 A C 1.162 178.511 177.584 -0.392 0.000 1.158 682 A CA 0.824 52.718 52.037 -0.239 0.000 0.742 682 A CB 0.151 19.079 19.000 -0.119 0.000 0.790 682 A HN 0.452 nan 8.150 nan 0.000 0.472 683 D N -0.797 119.433 120.400 -0.283 0.000 2.349 683 D HA 0.181 4.824 4.640 0.004 0.000 0.214 683 D C -0.144 176.006 176.300 -0.251 0.000 1.063 683 D CA 0.405 54.292 54.000 -0.189 0.000 0.847 683 D CB 0.636 41.410 40.800 -0.044 0.000 0.933 683 D HN 0.162 nan 8.370 nan 0.000 0.513 684 V N 1.247 120.898 119.914 -0.438 0.000 2.513 684 V HA 0.399 4.522 4.120 0.004 0.000 0.299 684 V C -0.485 175.306 176.094 -0.505 0.000 1.035 684 V CA -0.706 61.396 62.300 -0.331 0.000 0.889 684 V CB 1.612 33.306 31.823 -0.215 0.000 0.988 684 V HN -0.166 nan 8.190 nan 0.000 0.440 685 F N 1.605 121.599 119.950 0.072 0.000 2.546 685 F HA 0.577 5.107 4.527 0.004 0.000 0.320 685 F C 0.368 176.346 175.800 0.297 0.000 1.076 685 F CA -0.717 57.407 58.000 0.207 0.000 0.928 685 F CB 1.880 41.050 39.000 0.282 0.000 1.189 685 F HN 0.390 nan 8.300 nan 0.000 0.465 686 E N 0.561 120.997 120.200 0.393 0.000 2.171 686 E HA 0.513 4.865 4.350 0.004 0.000 0.271 686 E C -0.396 176.178 176.600 -0.043 0.000 0.916 686 E CA -0.734 55.782 56.400 0.193 0.000 0.774 686 E CB 1.944 31.683 29.700 0.065 0.000 1.128 686 E HN 0.795 nan 8.360 nan 0.000 0.403 687 G N 3.306 111.800 108.800 -0.510 0.000 2.347 687 G HA2 0.387 4.350 3.960 0.004 0.000 0.314 687 G HA3 0.387 4.350 3.960 0.004 0.000 0.314 687 G C -0.348 174.120 174.900 -0.720 0.000 1.126 687 G CA -0.424 43.822 45.100 -1.425 0.000 0.929 687 G HN 0.335 nan 8.290 nan 0.000 0.441 688 R N 1.674 121.830 120.500 -0.574 0.000 2.711 688 R HA 0.245 4.587 4.340 0.004 0.000 0.284 688 R C -0.691 175.421 176.300 -0.313 0.000 0.968 688 R CA -0.925 54.962 56.100 -0.355 0.000 0.924 688 R CB 2.056 32.220 30.300 -0.225 0.000 1.162 688 R HN 0.584 nan 8.270 nan 0.000 0.465 689 D N 1.765 122.015 120.400 -0.251 0.000 2.487 689 D HA -0.073 4.569 4.640 0.004 0.000 0.243 689 D C 0.806 177.023 176.300 -0.139 0.000 1.154 689 D CA 0.533 54.423 54.000 -0.183 0.000 0.876 689 D CB 0.885 41.590 40.800 -0.158 0.000 1.161 689 D HN 0.427 nan 8.370 nan 0.000 0.478 690 R N 2.898 123.331 120.500 -0.111 0.000 2.115 690 R HA -0.131 4.212 4.340 0.004 0.000 0.230 690 R C 1.837 178.099 176.300 -0.064 0.000 1.111 690 R CA 1.498 57.550 56.100 -0.081 0.000 0.976 690 R CB 0.057 30.323 30.300 -0.056 0.000 0.870 690 R HN 0.550 nan 8.270 nan 0.000 0.445 691 A N -0.658 122.124 122.820 -0.063 0.000 1.911 691 A HA -0.070 4.252 4.320 0.004 0.000 0.212 691 A C 2.026 179.577 177.584 -0.054 0.000 1.189 691 A CA 1.494 53.501 52.037 -0.051 0.000 0.639 691 A CB -0.268 18.705 19.000 -0.046 0.000 0.839 691 A HN 0.499 nan 8.150 nan 0.000 0.449 692 T N -5.526 108.987 114.554 -0.068 0.000 3.023 692 T HA 0.410 4.763 4.350 0.004 0.000 0.249 692 T C 1.508 176.164 174.700 -0.072 0.000 1.050 692 T CA 1.231 63.290 62.100 -0.067 0.000 1.088 692 T CB 0.329 69.154 68.868 -0.073 0.000 0.946 692 T HN 1.665 nan 8.240 nan 0.000 0.480 693 G N 1.333 110.081 108.800 -0.088 0.000 2.195 693 G HA2 -0.261 3.701 3.960 0.004 0.000 0.246 693 G HA3 -0.261 3.701 3.960 0.004 0.000 0.246 693 G C -0.123 174.712 174.900 -0.109 0.000 0.984 693 G CA 0.222 45.268 45.100 -0.090 0.000 0.633 693 G HN 0.872 nan 8.290 nan 0.000 0.525 694 E N 0.508 120.635 120.200 -0.122 0.000 2.376 694 E HA 0.363 4.716 4.350 0.004 0.000 0.266 694 E C 0.533 177.021 176.600 -0.186 0.000 1.009 694 E CA -0.777 55.541 56.400 -0.137 0.000 0.902 694 E CB 0.318 29.932 29.700 -0.143 0.000 0.972 694 E HN 0.371 nan 8.360 nan 0.000 0.439 695 L N 5.347 126.468 121.223 -0.170 0.000 2.462 695 L HA 0.037 4.380 4.340 0.004 0.000 0.272 695 L C 0.448 177.139 176.870 -0.298 0.000 1.166 695 L CA 0.927 55.645 54.840 -0.202 0.000 0.880 695 L CB 0.559 42.545 42.059 -0.122 0.000 1.142 695 L HN 0.640 nan 8.230 nan 0.000 0.473 696 K N 3.392 123.522 120.400 -0.450 0.000 2.344 696 K HA 0.232 4.554 4.320 0.004 0.000 0.200 696 K C -0.782 175.296 176.600 -0.869 0.000 1.132 696 K CA 0.475 56.272 56.287 -0.817 0.000 0.935 696 K CB 0.397 32.250 32.500 -1.079 0.000 1.089 696 K HN 0.602 nan 8.250 nan 0.000 0.496 697 W N 0.233 121.463 121.300 -0.118 0.000 3.025 697 W HA 0.263 4.925 4.660 0.004 0.000 0.343 697 W C -0.793 175.845 176.519 0.197 0.000 1.246 697 W CA -1.045 56.361 57.345 0.101 0.000 1.178 697 W CB 1.062 30.595 29.460 0.122 0.000 1.463 697 W HN -0.214 nan 8.180 nan 0.000 0.578 698 T N -0.677 114.305 114.554 0.713 0.000 2.907 698 T HA 0.932 5.285 4.350 0.004 0.000 0.292 698 T C -0.463 174.703 174.700 0.777 0.000 1.043 698 T CA -0.691 61.799 62.100 0.651 0.000 1.003 698 T CB 1.985 71.177 68.868 0.539 0.000 1.084 698 T HN 0.909 nan 8.240 nan 0.000 0.483 699 G N 0.449 109.601 108.800 0.586 0.000 2.692 699 G HA2 0.672 4.634 3.960 0.004 0.000 0.291 699 G HA3 0.672 4.634 3.960 0.004 0.000 0.291 699 G C -0.448 174.574 174.900 0.203 0.000 1.423 699 G CA -0.416 44.931 45.100 0.412 0.000 0.843 699 G HN 1.068 nan 8.290 nan 0.000 0.486 700 T N -2.119 112.510 114.554 0.124 0.000 2.910 700 T HA 0.403 4.755 4.350 0.004 0.000 0.279 700 T C 1.376 176.185 174.700 0.181 0.000 0.989 700 T CA -0.615 61.575 62.100 0.151 0.000 0.968 700 T CB 1.784 70.698 68.868 0.076 0.000 1.135 700 T HN 0.440 nan 8.240 nan 0.000 0.562 701 R N -0.454 120.170 120.500 0.208 0.000 2.105 701 R HA -0.039 4.304 4.340 0.004 0.000 0.239 701 R C 2.271 178.562 176.300 -0.015 0.000 1.135 701 R CA 1.110 57.252 56.100 0.070 0.000 0.967 701 R CB -0.911 29.448 30.300 0.099 0.000 0.861 701 R HN 0.459 nan 8.270 nan 0.000 0.442 702 V N 1.567 121.494 119.914 0.023 0.000 2.515 702 V HA -0.203 3.920 4.120 0.004 0.000 0.250 702 V C 1.533 177.711 176.094 0.140 0.000 1.058 702 V CA 1.740 64.054 62.300 0.024 0.000 1.064 702 V CB -0.356 31.471 31.823 0.005 0.000 0.675 702 V HN 0.290 nan 8.190 nan 0.000 0.461 703 D N -0.017 120.460 120.400 0.127 0.000 2.123 703 D HA -0.092 4.551 4.640 0.004 0.000 0.200 703 D C 1.890 178.317 176.300 0.211 0.000 0.976 703 D CA 1.054 55.196 54.000 0.237 0.000 0.831 703 D CB 0.000 40.878 40.800 0.129 0.000 0.974 703 D HN 0.308 nan 8.370 nan 0.000 0.469 704 L N 0.626 121.807 121.223 -0.071 0.000 2.418 704 L HA -0.011 4.332 4.340 0.004 0.000 0.218 704 L C 2.209 178.940 176.870 -0.231 0.000 1.125 704 L CA 0.451 55.104 54.840 -0.311 0.000 0.835 704 L CB -0.199 41.460 42.059 -0.666 0.000 0.953 704 L HN -0.111 nan 8.230 nan 0.000 0.454 705 V N -1.062 118.745 119.914 -0.178 0.000 2.594 705 V HA -0.257 3.865 4.120 0.004 0.000 0.253 705 V C 2.090 178.019 176.094 -0.276 0.000 1.069 705 V CA 1.604 63.748 62.300 -0.259 0.000 1.082 705 V CB -0.384 31.231 31.823 -0.347 0.000 0.680 705 V HN 0.369 nan 8.190 nan 0.000 0.469 706 F N 0.752 120.701 119.950 -0.002 0.000 2.604 706 F HA 0.158 4.687 4.527 0.004 0.000 0.298 706 F C 2.111 177.933 175.800 0.036 0.000 1.131 706 F CA 1.094 59.147 58.000 0.087 0.000 1.457 706 F CB -0.327 38.812 39.000 0.232 0.000 1.095 706 F HN 0.310 nan 8.300 nan 0.000 0.574 707 G N -2.173 106.650 108.800 0.039 0.000 3.159 707 G HA2 0.057 4.020 3.960 0.004 0.000 0.232 707 G HA3 0.057 4.020 3.960 0.004 0.000 0.232 707 G C 1.310 176.149 174.900 -0.102 0.000 1.116 707 G CA 0.683 45.747 45.100 -0.059 0.000 0.767 707 G HN 0.309 nan 8.290 nan 0.000 0.547 708 S N -0.880 114.757 115.700 -0.106 0.000 2.979 708 S HA 0.129 4.601 4.470 0.004 0.000 0.243 708 S C 0.757 175.298 174.600 -0.098 0.000 1.036 708 S CA -0.341 57.784 58.200 -0.125 0.000 0.846 708 S CB -0.310 62.790 63.200 -0.167 0.000 0.806 708 S HN 0.328 nan 8.310 nan 0.000 0.568 709 H N 2.636 121.609 119.070 -0.161 0.000 2.964 709 H HA 0.137 4.696 4.556 0.004 0.000 0.328 709 H C 1.448 176.714 175.328 -0.102 0.000 1.030 709 H CA 1.041 57.001 56.048 -0.146 0.000 1.445 709 H CB 1.242 30.900 29.762 -0.173 0.000 1.449 709 H HN 0.514 nan 8.280 nan 0.000 0.581 710 S N 2.750 118.191 115.700 -0.432 0.000 2.423 710 S HA -0.181 4.292 4.470 0.004 0.000 0.231 710 S C 1.832 176.421 174.600 -0.019 0.000 1.014 710 S CA 1.119 59.200 58.200 -0.198 0.000 0.965 710 S CB 0.005 63.051 63.200 -0.258 0.000 0.785 710 S HN 0.779 nan 8.310 nan 0.000 0.495 711 Q N 0.731 120.614 119.800 0.139 0.000 2.123 711 Q HA 0.171 4.514 4.340 0.004 0.000 0.196 711 Q C 2.144 178.291 176.000 0.244 0.000 0.958 711 Q CA 0.753 56.693 55.803 0.228 0.000 0.841 711 Q CB -0.168 28.757 28.738 0.310 0.000 0.915 711 Q HN 0.571 nan 8.270 nan 0.000 0.455 712 L N 0.256 121.668 121.223 0.316 0.000 2.083 712 L HA -0.150 4.192 4.340 0.004 0.000 0.209 712 L C 2.696 179.722 176.870 0.260 0.000 1.083 712 L CA 1.192 56.152 54.840 0.200 0.000 0.752 712 L CB -0.393 41.622 42.059 -0.073 0.000 0.899 712 L HN 0.227 nan 8.230 nan 0.000 0.433 713 R N 0.378 120.988 120.500 0.184 0.000 2.115 713 R HA -0.122 4.221 4.340 0.004 0.000 0.230 713 R C 2.344 178.726 176.300 0.138 0.000 1.111 713 R CA 1.163 57.359 56.100 0.160 0.000 0.976 713 R CB -0.146 30.194 30.300 0.067 0.000 0.870 713 R HN 0.311 nan 8.270 nan 0.000 0.445 714 A N 0.873 123.757 122.820 0.107 0.000 1.933 714 A HA -0.125 4.197 4.320 0.004 0.000 0.218 714 A C 2.075 179.707 177.584 0.079 0.000 1.175 714 A CA 1.179 53.258 52.037 0.070 0.000 0.628 714 A CB -0.403 18.629 19.000 0.052 0.000 0.814 714 A HN 0.343 nan 8.150 nan 0.000 0.444 715 L N -1.195 120.117 121.223 0.148 0.000 2.131 715 L HA -0.065 4.278 4.340 0.004 0.000 0.206 715 L C 3.032 180.018 176.870 0.192 0.000 1.087 715 L CA 0.788 55.727 54.840 0.165 0.000 0.767 715 L CB -0.549 41.677 42.059 0.278 0.000 0.917 715 L HN 0.401 nan 8.230 nan 0.000 0.441 716 A N 0.166 123.158 122.820 0.286 0.000 1.972 716 A HA -0.222 4.101 4.320 0.004 0.000 0.219 716 A C 2.155 179.834 177.584 0.157 0.000 1.169 716 A CA 1.622 53.853 52.037 0.323 0.000 0.635 716 A CB -0.381 18.930 19.000 0.519 0.000 0.810 716 A HN 0.438 nan 8.150 nan 0.000 0.446 717 E N -0.463 119.799 120.200 0.103 0.000 2.106 717 E HA -0.100 4.253 4.350 0.004 0.000 0.192 717 E C 1.942 178.517 176.600 -0.042 0.000 0.984 717 E CA 1.066 57.492 56.400 0.043 0.000 0.806 717 E CB -0.210 29.506 29.700 0.027 0.000 0.750 717 E HN 0.411 nan 8.360 nan 0.000 0.458 718 V N 0.436 120.271 119.914 -0.133 0.000 2.287 718 V HA -0.278 3.844 4.120 0.004 0.000 0.248 718 V C 1.687 177.564 176.094 -0.362 0.000 1.053 718 V CA 1.816 63.940 62.300 -0.293 0.000 1.027 718 V CB -0.557 30.974 31.823 -0.487 0.000 0.646 718 V HN 0.344 nan 8.190 nan 0.000 0.447 719 Y N 0.402 120.570 120.300 -0.219 0.000 2.561 719 Y HA 0.154 4.707 4.550 0.005 0.000 0.291 719 Y C 2.267 178.063 175.900 -0.173 0.000 1.141 719 Y CA 0.688 58.593 58.100 -0.324 0.000 1.303 719 Y CB -0.200 37.681 38.460 -0.964 0.000 1.015 719 Y HN 0.309 nan 8.280 nan 0.000 0.547 720 G N -1.067 107.769 108.800 0.059 0.000 3.189 720 G HA2 0.063 4.026 3.960 0.004 0.000 0.225 720 G HA3 0.063 4.026 3.960 0.004 0.000 0.225 720 G C 0.282 175.226 174.900 0.074 0.000 1.159 720 G CA -0.149 45.038 45.100 0.145 0.000 0.763 720 G HN 0.064 nan 8.290 nan 0.000 0.549 721 S N -0.290 115.428 115.700 0.030 0.000 2.632 721 S HA 0.470 4.942 4.470 0.004 0.000 0.267 721 S C 1.562 176.183 174.600 0.034 0.000 1.276 721 S CA 0.052 58.263 58.200 0.018 0.000 0.998 721 S CB 1.632 64.824 63.200 -0.012 0.000 0.953 721 S HN 0.321 nan 8.310 nan 0.000 0.547 722 A N 1.042 123.880 122.820 0.030 0.000 2.209 722 A HA -0.040 4.283 4.320 0.004 0.000 0.212 722 A C 1.162 178.771 177.584 0.043 0.000 1.158 722 A CA 1.044 53.104 52.037 0.038 0.000 0.742 722 A CB -0.427 18.591 19.000 0.030 0.000 0.790 722 A HN 0.800 nan 8.150 nan 0.000 0.472 723 D N -1.507 118.913 120.400 0.034 0.000 2.388 723 D HA 0.395 5.038 4.640 0.004 0.000 0.221 723 D C 0.739 177.071 176.300 0.053 0.000 1.133 723 D CA 0.631 54.654 54.000 0.037 0.000 0.831 723 D CB 0.021 40.832 40.800 0.018 0.000 0.962 723 D HN 0.219 nan 8.370 nan 0.000 0.502 724 A N -0.165 122.700 122.820 0.075 0.000 2.431 724 A HA 0.121 4.444 4.320 0.004 0.000 0.239 724 A C 1.858 179.563 177.584 0.202 0.000 1.230 724 A CA -0.001 52.099 52.037 0.106 0.000 0.928 724 A CB 0.099 19.139 19.000 0.066 0.000 1.006 724 A HN 0.113 nan 8.150 nan 0.000 0.520 725 Q N 0.975 120.890 119.800 0.191 0.000 2.030 725 Q HA -0.222 4.120 4.340 0.004 0.000 0.204 725 Q C 1.504 177.684 176.000 0.300 0.000 0.986 725 Q CA 2.592 58.546 55.803 0.252 0.000 0.843 725 Q CB -0.183 28.697 28.738 0.236 0.000 0.904 725 Q HN 0.636 nan 8.270 nan 0.000 0.420 726 E N 0.057 120.416 120.200 0.265 0.000 2.106 726 E HA -0.139 4.214 4.350 0.004 0.000 0.192 726 E C 1.703 178.413 176.600 0.183 0.000 0.984 726 E CA 1.161 57.708 56.400 0.245 0.000 0.806 726 E CB -0.164 29.645 29.700 0.181 0.000 0.750 726 E HN 0.331 nan 8.360 nan 0.000 0.458 727 K N 0.046 120.555 120.400 0.181 0.000 2.057 727 K HA -0.181 4.141 4.320 0.004 0.000 0.207 727 K C 1.968 178.724 176.600 0.260 0.000 1.049 727 K CA 1.222 57.616 56.287 0.178 0.000 0.931 727 K CB -0.219 32.360 32.500 0.132 0.000 0.714 727 K HN 0.164 nan 8.250 nan 0.000 0.440 728 F N 1.061 121.151 119.950 0.233 0.000 2.102 728 F HA -0.182 4.347 4.527 0.004 0.000 0.298 728 F C 1.703 177.580 175.800 0.128 0.000 1.105 728 F CA 1.312 59.439 58.000 0.212 0.000 1.239 728 F CB -0.492 38.611 39.000 0.172 0.000 0.991 728 F HN -0.199 nan 8.300 nan 0.000 0.474 729 V N 2.389 122.191 119.914 -0.186 0.000 2.295 729 V HA -0.299 3.823 4.120 0.004 0.000 0.246 729 V C 2.671 178.678 176.094 -0.145 0.000 1.049 729 V CA 2.368 64.502 62.300 -0.276 0.000 1.024 729 V CB -0.970 30.797 31.823 -0.094 0.000 0.648 729 V HN 0.489 nan 8.190 nan 0.000 0.447 730 R N 0.224 120.705 120.500 -0.032 0.000 2.115 730 R HA -0.143 4.200 4.340 0.004 0.000 0.230 730 R C 1.617 177.905 176.300 -0.020 0.000 1.111 730 R CA 1.984 58.084 56.100 0.001 0.000 0.976 730 R CB -0.540 29.784 30.300 0.041 0.000 0.870 730 R HN 0.377 nan 8.270 nan 0.000 0.445 731 D N 0.177 120.558 120.400 -0.032 0.000 2.234 731 D HA -0.086 4.556 4.640 0.004 0.000 0.205 731 D C 1.426 177.644 176.300 -0.136 0.000 0.962 731 D CA 0.724 54.704 54.000 -0.032 0.000 0.855 731 D CB -0.179 40.669 40.800 0.080 0.000 0.951 731 D HN 0.235 nan 8.370 nan 0.000 0.500 732 F N 1.016 120.727 119.950 -0.399 0.000 2.163 732 F HA -0.153 4.376 4.527 0.003 0.000 0.297 732 F C 2.048 177.760 175.800 -0.148 0.000 1.094 732 F CA 0.906 58.674 58.000 -0.387 0.000 1.290 732 F CB -0.066 38.489 39.000 -0.740 0.000 1.017 732 F HN -0.233 nan 8.300 nan 0.000 0.483 733 V N 0.524 120.407 119.914 -0.052 0.000 2.358 733 V HA -0.279 3.844 4.120 0.004 0.000 0.246 733 V C 2.715 178.788 176.094 -0.035 0.000 1.047 733 V CA 1.710 64.009 62.300 -0.001 0.000 1.035 733 V CB -1.395 30.456 31.823 0.047 0.000 0.658 733 V HN 0.481 nan 8.190 nan 0.000 0.452 734 A N -0.598 122.184 122.820 -0.063 0.000 1.902 734 A HA -0.171 4.152 4.320 0.004 0.000 0.217 734 A C 2.451 179.977 177.584 -0.097 0.000 1.181 734 A CA 2.018 54.022 52.037 -0.054 0.000 0.623 734 A CB -0.721 18.257 19.000 -0.037 0.000 0.818 734 A HN 0.330 nan 8.150 nan 0.000 0.443 735 V N -0.635 119.179 119.914 -0.166 0.000 2.427 735 V HA -0.183 3.940 4.120 0.004 0.000 0.248 735 V C 2.069 178.039 176.094 -0.207 0.000 1.051 735 V CA 1.937 64.127 62.300 -0.184 0.000 1.048 735 V CB -0.469 31.242 31.823 -0.187 0.000 0.666 735 V HN 0.809 nan 8.190 nan 0.000 0.456 736 W N 1.048 122.037 121.300 -0.519 0.000 2.335 736 W HA -0.281 4.381 4.660 0.003 0.000 0.311 736 W C 2.210 178.610 176.519 -0.198 0.000 1.213 736 W CA 2.181 59.284 57.345 -0.403 0.000 1.274 736 W CB -0.555 28.601 29.460 -0.506 0.000 1.148 736 W HN 0.502 nan 8.180 nan 0.000 0.498 737 N N 1.069 119.740 118.700 -0.048 0.000 2.120 737 N HA -0.250 4.492 4.740 0.004 0.000 0.188 737 N C 1.924 177.301 175.510 -0.223 0.000 1.024 737 N CA 2.404 55.385 53.050 -0.114 0.000 0.852 737 N CB -0.686 37.796 38.487 -0.009 0.000 1.003 737 N HN 0.144 nan 8.380 nan 0.000 0.424 738 K N -0.110 120.172 120.400 -0.197 0.000 2.044 738 K HA -0.121 4.201 4.320 0.004 0.000 0.210 738 K C 1.630 178.047 176.600 -0.306 0.000 1.049 738 K CA 1.525 57.681 56.287 -0.218 0.000 0.927 738 K CB -0.192 32.213 32.500 -0.158 0.000 0.713 738 K HN 0.063 nan 8.250 nan 0.000 0.443 739 V N 1.259 120.969 119.914 -0.340 0.000 2.358 739 V HA -0.231 3.892 4.120 0.004 0.000 0.246 739 V C 2.409 178.205 176.094 -0.496 0.000 1.047 739 V CA 1.390 63.446 62.300 -0.407 0.000 1.035 739 V CB -0.324 31.271 31.823 -0.380 0.000 0.658 739 V HN 0.411 nan 8.190 nan 0.000 0.452 740 M N 0.211 119.478 119.600 -0.555 0.000 2.279 740 M HA -0.077 4.405 4.480 0.004 0.000 0.264 740 M C 1.188 177.260 176.300 -0.380 0.000 1.062 740 M CA 1.352 56.366 55.300 -0.477 0.000 1.099 740 M CB -1.176 31.170 32.600 -0.424 0.000 1.394 740 M HN 0.356 nan 8.290 nan 0.000 0.426 741 N N -0.057 118.410 118.700 -0.389 0.000 2.238 741 N HA 0.225 4.968 4.740 0.004 0.000 0.222 741 N C 1.399 176.587 175.510 -0.536 0.000 1.133 741 N CA 0.042 52.852 53.050 -0.399 0.000 0.854 741 N CB 0.184 38.473 38.487 -0.330 0.000 1.041 741 N HN 0.314 nan 8.380 nan 0.000 0.510 742 L N 0.468 121.298 121.223 -0.655 0.000 2.131 742 L HA -0.168 4.175 4.340 0.004 0.000 0.210 742 L C 1.084 177.142 176.870 -1.353 0.000 1.092 742 L CA 1.301 55.517 54.840 -1.040 0.000 0.759 742 L CB -0.145 41.092 42.059 -1.369 0.000 0.903 742 L HN 0.127 nan 8.230 nan 0.000 0.435 743 D N -1.659 118.186 120.400 -0.924 0.000 2.358 743 D HA -0.051 4.592 4.640 0.004 0.000 0.224 743 D C 0.730 176.625 176.300 -0.675 0.000 1.123 743 D CA -0.085 53.539 54.000 -0.628 0.000 0.833 743 D CB -0.055 40.739 40.800 -0.010 0.000 0.946 743 D HN -0.021 nan 8.370 nan 0.000 0.505 744 R N 0.823 120.870 120.500 -0.755 0.000 4.496 744 R HA 0.187 4.529 4.340 0.004 0.000 0.211 744 R C 0.013 176.040 176.300 -0.454 0.000 1.738 744 R CA -0.364 55.459 56.100 -0.462 0.000 1.528 744 R CB -1.236 28.845 30.300 -0.364 0.000 1.414 744 R HN 0.269 nan 8.270 nan 0.000 0.812 745 F N 0.578 120.481 119.950 -0.078 0.000 2.748 745 F HA -0.098 4.431 4.527 0.003 0.000 0.299 745 F C 1.979 177.747 175.800 -0.053 0.000 1.154 745 F CA 0.525 58.495 58.000 -0.050 0.000 1.446 745 F CB 0.137 39.132 39.000 -0.010 0.000 1.112 745 F HN 0.254 nan 8.300 nan 0.000 0.584 746 D N 0.839 121.269 120.400 0.050 0.000 2.310 746 D HA -0.154 4.488 4.640 0.004 0.000 0.212 746 D C 1.436 177.714 176.300 -0.037 0.000 0.965 746 D CA 1.106 55.106 54.000 -0.001 0.000 0.879 746 D CB -0.396 40.385 40.800 -0.032 0.000 0.921 746 D HN 0.358 nan 8.370 nan 0.000 0.510 747 L N -0.299 120.882 121.223 -0.071 0.000 2.693 747 L HA 0.417 4.760 4.340 0.004 0.000 0.235 747 L C 1.249 178.082 176.870 -0.061 0.000 1.127 747 L CA -0.424 54.366 54.840 -0.083 0.000 0.914 747 L CB 0.266 42.246 42.059 -0.131 0.000 1.193 747 L HN -0.041 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.806 122.820 -0.024 0.000 2.254 748 A HA 0.000 4.323 4.320 0.004 0.000 0.244 748 A CA 0.000 52.045 52.037 0.013 0.000 0.836 748 A CB 0.000 19.061 19.000 0.102 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486