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 2b2q_1_A DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.464 175.510 -0.076 0.000 1.280 35 N CA 0.000 53.013 53.050 -0.062 0.000 0.885 35 N CB 0.000 38.460 38.487 -0.046 0.000 1.341 36 G N 1.792 110.558 108.800 -0.058 0.000 2.195 36 G HA2 0.387 4.347 3.960 0.000 0.000 0.264 36 G HA3 0.387 4.347 3.960 0.000 0.000 0.264 36 G C 0.293 175.138 174.900 -0.092 0.000 1.148 36 G CA 1.282 46.351 45.100 -0.052 0.000 1.023 36 G HN 0.608 nan 8.290 nan 0.000 0.429 37 T N 1.934 116.414 114.554 -0.124 0.000 2.901 37 T HA 0.424 4.775 4.350 0.000 0.000 0.301 37 T C 0.931 175.511 174.700 -0.200 0.000 1.012 37 T CA 0.066 61.994 62.100 -0.288 0.000 1.135 37 T CB 1.060 69.646 68.868 -0.470 0.000 0.936 37 T HN 0.809 nan 8.240 nan 0.000 0.539 38 S N 2.392 117.928 115.700 -0.273 0.000 2.689 38 S HA 0.407 4.877 4.470 0.000 0.000 0.306 38 S C 1.028 175.607 174.600 -0.035 0.000 1.104 38 S CA -0.987 57.166 58.200 -0.079 0.000 0.973 38 S CB 1.126 64.295 63.200 -0.052 0.000 1.121 38 S HN 0.472 nan 8.310 nan 0.000 0.523 39 N N 0.850 119.664 118.700 0.190 0.000 2.149 39 N HA -0.083 4.657 4.740 0.000 0.000 0.188 39 N C 1.620 177.289 175.510 0.264 0.000 1.019 39 N CA 1.113 54.402 53.050 0.398 0.000 0.857 39 N CB -0.659 38.101 38.487 0.454 0.000 0.997 39 N HN 0.645 nan 8.380 nan 0.000 0.426 40 R N 1.042 121.613 120.500 0.119 0.000 2.120 40 R HA -0.052 4.288 4.340 0.000 0.000 0.234 40 R C 1.176 177.444 176.300 -0.053 0.000 1.123 40 R CA 1.205 57.342 56.100 0.062 0.000 0.975 40 R CB -0.082 30.238 30.300 0.032 0.000 0.866 40 R HN 0.205 nan 8.270 nan 0.000 0.446 41 D N -1.108 119.171 120.400 -0.202 0.000 2.097 41 D HA -0.184 4.456 4.640 0.000 0.000 0.197 41 D C 1.700 177.746 176.300 -0.424 0.000 0.984 41 D CA 1.286 55.065 54.000 -0.368 0.000 0.826 41 D CB -0.385 40.060 40.800 -0.591 0.000 0.973 41 D HN 0.348 nan 8.370 nan 0.000 0.460 42 W N -0.252 120.769 121.300 -0.466 0.000 2.388 42 W HA -0.063 4.596 4.660 -0.000 0.000 0.294 42 W C 0.718 176.622 176.519 -1.025 0.000 1.212 42 W CA 0.030 56.795 57.345 -0.967 0.000 1.271 42 W CB 0.093 28.412 29.460 -1.903 0.000 1.126 42 W HN -0.042 nan 8.180 nan 0.000 0.535 43 W N 1.032 122.461 121.300 0.215 0.000 2.104 43 W HA 0.239 4.899 4.660 -0.000 0.000 0.291 43 W C -1.995 174.565 176.519 0.069 0.000 0.936 43 W CA -1.890 55.526 57.345 0.119 0.000 1.856 43 W CB -0.264 29.252 29.460 0.093 0.000 2.036 43 W HN -0.166 nan 8.180 nan 0.000 0.393 44 P HA -0.081 nan 4.420 nan 0.000 0.229 44 P C 0.690 178.046 177.300 0.093 0.000 1.160 44 P CA 1.172 64.321 63.100 0.082 0.000 0.777 44 P CB 0.498 32.212 31.700 0.022 0.000 0.814 45 N N -0.717 118.054 118.700 0.119 0.000 2.235 45 N HA 0.045 4.786 4.740 0.000 0.000 0.209 45 N C 0.669 176.240 175.510 0.102 0.000 1.122 45 N CA 0.127 53.232 53.050 0.091 0.000 0.845 45 N CB -0.004 38.529 38.487 0.076 0.000 1.004 45 N HN 0.187 nan 8.380 nan 0.000 0.499 46 Q N 1.022 120.911 119.800 0.148 0.000 2.373 46 Q HA 0.083 4.423 4.340 0.000 0.000 0.255 46 Q C -0.018 176.057 176.000 0.125 0.000 0.980 46 Q CA -0.512 55.372 55.803 0.135 0.000 0.882 46 Q CB 1.104 29.926 28.738 0.140 0.000 1.249 46 Q HN 0.184 nan 8.270 nan 0.000 0.438 47 L N 3.039 124.340 121.223 0.132 0.000 2.578 47 L HA -0.086 4.254 4.340 0.000 0.000 0.279 47 L C -0.225 176.701 176.870 0.094 0.000 1.227 47 L CA 0.726 55.600 54.840 0.057 0.000 0.900 47 L CB 0.205 42.241 42.059 -0.039 0.000 1.144 47 L HN 0.443 nan 8.230 nan 0.000 0.496 48 D N 4.350 124.765 120.400 0.024 0.000 2.412 48 D HA 0.184 4.824 4.640 0.000 0.000 0.224 48 D C 0.730 177.012 176.300 -0.030 0.000 1.093 48 D CA -0.061 53.957 54.000 0.031 0.000 0.850 48 D CB 0.550 41.366 40.800 0.028 0.000 1.046 48 D HN 0.615 nan 8.370 nan 0.000 0.507 49 L N 2.574 123.783 121.223 -0.023 0.000 2.509 49 L HA -0.020 4.320 4.340 0.000 0.000 0.222 49 L C 2.223 179.021 176.870 -0.119 0.000 1.123 49 L CA 0.331 55.116 54.840 -0.090 0.000 0.856 49 L CB -0.223 41.816 42.059 -0.032 0.000 0.985 49 L HN 0.399 nan 8.230 nan 0.000 0.456 50 S N 0.894 116.587 115.700 -0.011 0.000 2.419 50 S HA -0.196 4.274 4.470 0.000 0.000 0.233 50 S C 1.941 176.503 174.600 -0.065 0.000 1.016 50 S CA 1.050 59.262 58.200 0.019 0.000 0.974 50 S CB -0.726 62.505 63.200 0.052 0.000 0.786 50 S HN 0.602 nan 8.310 nan 0.000 0.492 51 I N -0.879 119.641 120.570 -0.084 0.000 2.567 51 I HA -0.025 4.145 4.170 0.000 0.000 0.257 51 I C 1.853 177.905 176.117 -0.109 0.000 1.184 51 I CA 1.297 62.552 61.300 -0.076 0.000 1.451 51 I CB -0.504 37.463 38.000 -0.054 0.000 1.089 51 I HN 0.226 nan 8.210 nan 0.000 0.441 52 L N 0.154 121.223 121.223 -0.257 0.000 2.558 52 L HA 0.069 4.409 4.340 0.000 0.000 0.225 52 L C 1.024 177.711 176.870 -0.304 0.000 1.128 52 L CA 0.604 55.255 54.840 -0.315 0.000 0.868 52 L CB -0.636 41.167 42.059 -0.426 0.000 1.006 52 L HN 0.388 nan 8.230 nan 0.000 0.454 53 H N -1.456 117.634 119.070 0.034 0.000 2.567 53 H HA 0.264 4.820 4.556 0.000 0.000 0.267 53 H C 0.216 175.536 175.328 -0.013 0.000 1.148 53 H CA -0.624 55.440 56.048 0.027 0.000 1.031 53 H CB 0.527 30.306 29.762 0.028 0.000 1.691 53 H HN 0.018 nan 8.280 nan 0.000 0.588 54 R N 0.874 121.381 120.500 0.011 0.000 2.560 54 R HA 0.110 4.450 4.340 0.000 0.000 0.270 54 R C 0.006 176.229 176.300 -0.129 0.000 1.074 54 R CA -0.233 55.742 56.100 -0.208 0.000 1.140 54 R CB 0.352 30.383 30.300 -0.449 0.000 1.073 54 R HN 0.580 nan 8.270 nan 0.000 0.527 55 H N -2.160 116.953 119.070 0.072 0.000 2.903 55 H HA -0.143 4.414 4.556 0.000 0.000 0.285 55 H C 0.210 175.605 175.328 0.111 0.000 1.231 55 H CA 0.566 56.674 56.048 0.100 0.000 1.135 55 H CB -1.971 27.844 29.762 0.088 0.000 1.328 55 H HN 0.708 nan 8.280 nan 0.000 0.388 56 S N -0.136 115.638 115.700 0.124 0.000 2.608 56 S HA 0.240 4.710 4.470 0.000 0.000 0.261 56 S C 1.794 176.456 174.600 0.104 0.000 1.314 56 S CA 0.037 58.301 58.200 0.107 0.000 0.992 56 S CB 1.798 65.038 63.200 0.067 0.000 0.935 56 S HN 0.450 nan 8.310 nan 0.000 0.564 57 S N 1.495 117.244 115.700 0.082 0.000 2.442 57 S HA -0.084 4.386 4.470 0.000 0.000 0.236 57 S C 1.776 176.395 174.600 0.030 0.000 1.007 57 S CA 0.932 59.170 58.200 0.064 0.000 0.965 57 S CB -1.028 62.205 63.200 0.054 0.000 0.773 57 S HN 0.679 nan 8.310 nan 0.000 0.504 58 L N 2.188 123.426 121.223 0.025 0.000 2.042 58 L HA -0.099 4.242 4.340 0.000 0.000 0.210 58 L C 3.006 179.871 176.870 -0.007 0.000 1.076 58 L CA 1.617 56.460 54.840 0.005 0.000 0.749 58 L CB -0.945 41.117 42.059 0.005 0.000 0.893 58 L HN 0.588 nan 8.230 nan 0.000 0.432 59 S N -2.286 113.423 115.700 0.013 0.000 2.562 59 S HA -0.049 4.421 4.470 0.000 0.000 0.221 59 S C 0.644 175.230 174.600 -0.024 0.000 0.975 59 S CA -0.149 58.061 58.200 0.017 0.000 0.918 59 S CB -0.301 62.930 63.200 0.051 0.000 0.772 59 S HN 0.277 nan 8.310 nan 0.000 0.531 60 D N 3.025 123.383 120.400 -0.071 0.000 2.313 60 D HA 0.306 4.946 4.640 0.000 0.000 0.239 60 D C -1.372 174.699 176.300 -0.382 0.000 1.142 60 D CA -2.211 51.632 54.000 -0.262 0.000 0.847 60 D CB 1.733 42.516 40.800 -0.029 0.000 1.082 60 D HN 0.082 nan 8.370 nan 0.000 0.480 61 P HA 0.027 nan 4.420 nan 0.000 0.241 61 P C 0.178 177.246 177.300 -0.387 0.000 1.191 61 P CA 0.113 62.918 63.100 -0.491 0.000 0.771 61 P CB 0.269 31.600 31.700 -0.615 0.000 0.929 62 M N 0.265 119.631 119.600 -0.390 0.000 2.288 62 M HA 0.372 4.852 4.480 0.000 0.000 0.334 62 M C 1.231 177.489 176.300 -0.069 0.000 1.150 62 M CA -1.078 54.064 55.300 -0.264 0.000 1.118 62 M CB 0.040 32.462 32.600 -0.296 0.000 1.501 62 M HN -0.193 nan 8.290 nan 0.000 0.462 63 G N 1.243 110.045 108.800 0.003 0.000 2.732 63 G HA2 0.034 3.994 3.960 0.000 0.000 0.244 63 G HA3 0.034 3.994 3.960 0.000 0.000 0.244 63 G C 0.701 175.674 174.900 0.123 0.000 1.226 63 G CA -0.364 44.774 45.100 0.063 0.000 0.860 63 G HN 0.839 nan 8.290 nan 0.000 0.583 64 K N -0.657 119.798 120.400 0.093 0.000 2.283 64 K HA -0.065 4.255 4.320 0.000 0.000 0.202 64 K C 1.038 177.711 176.600 0.121 0.000 1.048 64 K CA 1.097 57.444 56.287 0.101 0.000 0.948 64 K CB 0.170 32.711 32.500 0.068 0.000 0.742 64 K HN 0.381 nan 8.250 nan 0.000 0.458 65 D N -0.297 120.180 120.400 0.127 0.000 2.339 65 D HA -0.038 4.603 4.640 0.000 0.000 0.217 65 D C -0.069 176.325 176.300 0.156 0.000 1.050 65 D CA -0.008 54.060 54.000 0.115 0.000 0.856 65 D CB -0.057 40.795 40.800 0.087 0.000 0.922 65 D HN 0.012 nan 8.370 nan 0.000 0.518 66 F N 2.434 122.431 119.950 0.079 0.000 2.602 66 F HA 0.056 4.584 4.527 0.000 0.000 0.385 66 F C 0.526 176.406 175.800 0.134 0.000 1.063 66 F CA -0.099 57.966 58.000 0.109 0.000 1.233 66 F CB 0.290 39.367 39.000 0.128 0.000 1.067 66 F HN -0.246 nan 8.300 nan 0.000 0.564 67 N N 6.228 124.520 118.700 -0.680 0.000 2.524 67 N HA -0.004 4.737 4.740 0.000 0.000 0.261 67 N C 0.352 175.389 175.510 -0.788 0.000 0.998 67 N CA -0.391 52.349 53.050 -0.517 0.000 0.915 67 N CB 0.458 38.815 38.487 -0.217 0.000 1.187 67 N HN 0.802 nan 8.380 nan 0.000 0.507 68 Y N 4.646 124.504 120.300 -0.737 0.000 2.181 68 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 68 Y C 2.048 177.896 175.900 -0.086 0.000 1.146 68 Y CA 2.335 60.214 58.100 -0.368 0.000 1.164 68 Y CB -0.221 38.248 38.460 0.015 0.000 0.982 68 Y HN 0.652 nan 8.280 nan 0.000 0.515 69 A N 0.322 122.986 122.820 -0.259 0.000 1.892 69 A HA -0.338 3.982 4.320 0.000 0.000 0.218 69 A C 2.306 179.799 177.584 -0.151 0.000 1.188 69 A CA 2.154 54.069 52.037 -0.205 0.000 0.631 69 A CB -1.115 17.847 19.000 -0.064 0.000 0.822 69 A HN 0.700 nan 8.150 nan 0.000 0.447 70 Q N -0.581 119.130 119.800 -0.149 0.000 2.124 70 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 70 Q C 2.109 178.055 176.000 -0.090 0.000 0.977 70 Q CA 1.743 57.486 55.803 -0.101 0.000 0.850 70 Q CB -0.375 28.304 28.738 -0.098 0.000 0.901 70 Q HN 0.590 nan 8.270 nan 0.000 0.429 71 A N 0.333 123.079 122.820 -0.124 0.000 1.873 71 A HA -0.167 4.153 4.320 0.000 0.000 0.215 71 A C 1.868 179.417 177.584 -0.059 0.000 1.186 71 A CA 1.235 53.265 52.037 -0.012 0.000 0.616 71 A CB -1.044 18.067 19.000 0.186 0.000 0.823 71 A HN 0.623 nan 8.150 nan 0.000 0.442 72 F N 0.928 120.654 119.950 -0.374 0.000 2.171 72 F HA -0.148 4.379 4.527 0.000 0.000 0.300 72 F C 2.122 177.830 175.800 -0.153 0.000 1.090 72 F CA 2.103 59.911 58.000 -0.321 0.000 1.293 72 F CB -0.202 38.469 39.000 -0.549 0.000 1.013 72 F HN 0.364 nan 8.300 nan 0.000 0.486 73 E N -0.328 119.819 120.200 -0.089 0.000 2.204 73 E HA -0.160 4.191 4.350 0.000 0.000 0.194 73 E C 1.580 178.089 176.600 -0.152 0.000 0.989 73 E CA 0.740 57.085 56.400 -0.091 0.000 0.824 73 E CB 0.022 29.719 29.700 -0.007 0.000 0.756 73 E HN 0.239 nan 8.360 nan 0.000 0.477 74 K N 0.480 120.798 120.400 -0.135 0.000 2.404 74 K HA 0.073 4.393 4.320 0.000 0.000 0.194 74 K C 0.318 176.836 176.600 -0.136 0.000 1.023 74 K CA -0.179 56.044 56.287 -0.106 0.000 1.094 74 K CB -0.028 32.444 32.500 -0.046 0.000 0.841 74 K HN 0.078 nan 8.250 nan 0.000 0.523 75 L N 2.617 123.688 121.223 -0.254 0.000 2.499 75 L HA 0.006 4.346 4.340 0.000 0.000 0.273 75 L C 0.082 176.800 176.870 -0.253 0.000 1.195 75 L CA 0.312 54.992 54.840 -0.267 0.000 0.882 75 L CB 0.388 42.155 42.059 -0.485 0.000 1.133 75 L HN -0.043 nan 8.230 nan 0.000 0.483 76 D N 4.186 124.496 120.400 -0.149 0.000 2.470 76 D HA -0.001 4.640 4.640 0.000 0.000 0.226 76 D C 0.927 177.096 176.300 -0.219 0.000 1.196 76 D CA -0.093 53.830 54.000 -0.129 0.000 0.979 76 D CB 0.388 41.176 40.800 -0.019 0.000 1.059 76 D HN 0.630 nan 8.370 nan 0.000 0.515 77 L N 4.318 125.397 121.223 -0.240 0.000 2.083 77 L HA -0.035 4.305 4.340 0.000 0.000 0.209 77 L C 2.066 178.825 176.870 -0.186 0.000 1.083 77 L CA 1.954 56.649 54.840 -0.242 0.000 0.752 77 L CB -0.503 41.455 42.059 -0.169 0.000 0.899 77 L HN 0.388 nan 8.230 nan 0.000 0.433 78 A N -0.435 122.308 122.820 -0.129 0.000 1.902 78 A HA -0.135 4.186 4.320 0.000 0.000 0.217 78 A C 2.463 179.995 177.584 -0.087 0.000 1.181 78 A CA 1.838 53.818 52.037 -0.095 0.000 0.623 78 A CB -1.157 17.803 19.000 -0.067 0.000 0.818 78 A HN 0.559 nan 8.150 nan 0.000 0.443 79 A N -0.539 122.236 122.820 -0.075 0.000 1.902 79 A HA 0.005 4.325 4.320 0.000 0.000 0.217 79 A C 2.230 179.789 177.584 -0.042 0.000 1.181 79 A CA 1.781 53.816 52.037 -0.003 0.000 0.623 79 A CB -0.974 18.085 19.000 0.098 0.000 0.818 79 A HN 0.408 nan 8.150 nan 0.000 0.443 80 V N 0.341 120.061 119.914 -0.323 0.000 2.287 80 V HA -0.319 3.801 4.120 0.000 0.000 0.248 80 V C 2.450 178.430 176.094 -0.190 0.000 1.053 80 V CA 2.447 64.466 62.300 -0.469 0.000 1.027 80 V CB -0.767 30.648 31.823 -0.681 0.000 0.646 80 V HN 0.554 nan 8.190 nan 0.000 0.447 81 K N -0.249 120.053 120.400 -0.163 0.000 2.063 81 K HA -0.170 4.150 4.320 0.000 0.000 0.208 81 K C 2.387 178.974 176.600 -0.021 0.000 1.048 81 K CA 1.460 57.687 56.287 -0.100 0.000 0.928 81 K CB -0.265 32.170 32.500 -0.108 0.000 0.713 81 K HN 0.416 nan 8.250 nan 0.000 0.442 82 R N 0.782 121.274 120.500 -0.013 0.000 2.092 82 R HA -0.108 4.232 4.340 0.000 0.000 0.231 82 R C 1.784 178.135 176.300 0.085 0.000 1.119 82 R CA 1.356 57.479 56.100 0.038 0.000 0.970 82 R CB -0.189 30.122 30.300 0.019 0.000 0.864 82 R HN 0.226 nan 8.270 nan 0.000 0.440 83 D N 0.916 121.357 120.400 0.069 0.000 2.117 83 D HA -0.138 4.502 4.640 0.000 0.000 0.197 83 D C 2.014 178.349 176.300 0.057 0.000 0.987 83 D CA 1.066 55.114 54.000 0.080 0.000 0.829 83 D CB -0.169 40.710 40.800 0.132 0.000 0.961 83 D HN 0.168 nan 8.370 nan 0.000 0.460 84 L N -0.030 121.205 121.223 0.021 0.000 2.046 84 L HA -0.207 4.134 4.340 0.000 0.000 0.208 84 L C 2.460 179.352 176.870 0.037 0.000 1.077 84 L CA 1.088 55.918 54.840 -0.017 0.000 0.747 84 L CB -0.465 41.543 42.059 -0.085 0.000 0.896 84 L HN 0.121 nan 8.230 nan 0.000 0.432 85 H N 0.013 119.076 119.070 -0.012 0.000 2.319 85 H HA -0.173 4.383 4.556 0.000 0.000 0.299 85 H C 2.169 177.505 175.328 0.014 0.000 1.092 85 H CA 1.755 57.809 56.048 0.009 0.000 1.302 85 H CB 0.043 29.809 29.762 0.006 0.000 1.373 85 H HN 0.295 nan 8.280 nan 0.000 0.497 86 A N 0.384 123.238 122.820 0.057 0.000 1.940 86 A HA -0.139 4.181 4.320 0.000 0.000 0.219 86 A C 2.385 179.970 177.584 0.001 0.000 1.176 86 A CA 1.610 53.655 52.037 0.014 0.000 0.631 86 A CB -0.923 18.112 19.000 0.058 0.000 0.814 86 A HN 0.502 nan 8.150 nan 0.000 0.446 87 L N -0.783 120.467 121.223 0.045 0.000 2.083 87 L HA -0.159 4.181 4.340 0.000 0.000 0.209 87 L C 2.247 179.226 176.870 0.181 0.000 1.083 87 L CA 1.944 56.857 54.840 0.121 0.000 0.752 87 L CB -0.508 41.629 42.059 0.130 0.000 0.899 87 L HN 0.309 nan 8.230 nan 0.000 0.433 88 M N -0.321 119.318 119.600 0.064 0.000 2.143 88 M HA -0.167 4.313 4.480 0.000 0.000 0.258 88 M C 1.690 177.827 176.300 -0.272 0.000 1.071 88 M CA 2.132 57.403 55.300 -0.049 0.000 1.088 88 M CB -1.975 30.409 32.600 -0.360 0.000 1.360 88 M HN 0.619 nan 8.290 nan 0.000 0.404 89 T N -3.649 110.758 114.554 -0.245 0.000 3.215 89 T HA 0.196 4.546 4.350 0.000 0.000 0.271 89 T C 0.230 174.870 174.700 -0.099 0.000 1.012 89 T CA -0.306 61.660 62.100 -0.223 0.000 0.899 89 T CB -0.394 68.351 68.868 -0.204 0.000 1.089 89 T HN 0.120 nan 8.240 nan 0.000 0.552 90 T N 2.100 116.652 114.554 -0.003 0.000 3.154 90 T HA 0.442 4.792 4.350 0.000 0.000 0.381 90 T C -0.016 174.753 174.700 0.115 0.000 1.368 90 T CA -0.442 61.686 62.100 0.048 0.000 1.155 90 T CB 0.947 69.862 68.868 0.079 0.000 1.120 90 T HN 0.296 nan 8.240 nan 0.000 0.570 91 S N 3.343 119.036 115.700 -0.012 0.000 2.549 91 S HA 0.162 4.632 4.470 0.000 0.000 0.283 91 S C 0.032 174.648 174.600 0.026 0.000 1.320 91 S CA -0.439 57.737 58.200 -0.039 0.000 1.058 91 S CB 0.289 63.406 63.200 -0.138 0.000 0.882 91 S HN 0.442 nan 8.310 nan 0.000 0.498 92 Q N 2.940 122.738 119.800 -0.003 0.000 2.256 92 Q HA 0.258 4.598 4.340 0.000 0.000 0.257 92 Q C 0.085 175.925 176.000 -0.266 0.000 0.936 92 Q CA -0.647 55.020 55.803 -0.228 0.000 0.903 92 Q CB 1.516 29.846 28.738 -0.680 0.000 1.263 92 Q HN 0.660 nan 8.270 nan 0.000 0.440 93 D N 1.381 121.707 120.400 -0.124 0.000 2.264 93 D HA -0.122 4.518 4.640 0.000 0.000 0.208 93 D C 1.625 177.950 176.300 0.041 0.000 0.966 93 D CA 0.802 54.787 54.000 -0.026 0.000 0.864 93 D CB 0.093 40.923 40.800 0.051 0.000 0.933 93 D HN 0.684 nan 8.370 nan 0.000 0.499 94 W N -1.366 120.026 121.300 0.154 0.000 2.595 94 W HA 0.011 4.671 4.660 0.001 0.000 0.257 94 W C 0.343 177.072 176.519 0.350 0.000 1.267 94 W CA -0.096 57.366 57.345 0.195 0.000 1.300 94 W CB -0.449 29.113 29.460 0.169 0.000 1.120 94 W HN -0.032 nan 8.180 nan 0.000 0.618 95 W N 3.210 124.343 121.300 -0.279 0.000 1.982 95 W HA 0.256 4.916 4.660 0.000 0.000 0.299 95 W C -2.881 173.589 176.519 -0.082 0.000 1.011 95 W CA -1.960 55.302 57.345 -0.139 0.000 1.324 95 W CB 0.591 29.973 29.460 -0.129 0.000 1.372 95 W HN -0.371 nan 8.180 nan 0.000 0.323 96 P HA 0.004 nan 4.420 nan 0.000 0.265 96 P C -0.064 177.194 177.300 -0.070 0.000 1.187 96 P CA 0.718 63.749 63.100 -0.116 0.000 0.766 96 P CB 0.789 32.417 31.700 -0.119 0.000 0.820 97 A N 3.341 126.011 122.820 -0.251 0.000 2.404 97 A HA 0.144 4.464 4.320 0.000 0.000 0.273 97 A C 0.048 177.420 177.584 -0.353 0.000 1.144 97 A CA -0.367 51.334 52.037 -0.559 0.000 0.806 97 A CB -0.390 17.901 19.000 -1.182 0.000 1.080 97 A HN 0.445 nan 8.150 nan 0.000 0.509 98 D N 2.017 122.256 120.400 -0.268 0.000 2.493 98 D HA 0.126 4.766 4.640 0.000 0.000 0.240 98 D C 0.388 176.439 176.300 -0.416 0.000 1.142 98 D CA 0.828 54.467 54.000 -0.602 0.000 0.872 98 D CB -0.255 40.407 40.800 -0.231 0.000 1.173 98 D HN 0.518 nan 8.370 nan 0.000 0.467 99 F N 0.392 120.006 119.950 -0.559 0.000 3.069 99 F HA -0.253 4.274 4.527 0.000 0.000 0.285 99 F C 1.595 177.266 175.800 -0.216 0.000 0.827 99 F CA 0.511 58.324 58.000 -0.312 0.000 1.108 99 F CB -1.999 36.910 39.000 -0.151 0.000 1.252 99 F HN 0.648 nan 8.300 nan 0.000 0.483 100 G N -0.479 108.205 108.800 -0.193 0.000 2.203 100 G HA2 -0.327 3.633 3.960 0.000 0.000 0.263 100 G HA3 -0.327 3.633 3.960 0.000 0.000 0.263 100 G C -0.146 174.685 174.900 -0.116 0.000 1.012 100 G CA 0.590 45.597 45.100 -0.156 0.000 0.749 100 G HN 0.935 nan 8.290 nan 0.000 0.512 101 H N -1.673 117.292 119.070 -0.175 0.000 2.934 101 H HA 0.381 4.937 4.556 0.000 0.000 0.340 101 H C 0.003 175.283 175.328 -0.081 0.000 1.008 101 H CA -0.911 55.080 56.048 -0.095 0.000 1.317 101 H CB 0.844 30.621 29.762 0.026 0.000 1.670 101 H HN 0.040 nan 8.280 nan 0.000 0.516 102 Y N 2.796 123.203 120.300 0.178 0.000 2.553 102 Y HA 0.045 4.595 4.550 0.000 0.000 0.303 102 Y C 2.199 178.214 175.900 0.192 0.000 1.194 102 Y CA 0.816 58.955 58.100 0.065 0.000 1.305 102 Y CB -0.011 38.351 38.460 -0.164 0.000 1.045 102 Y HN 0.799 nan 8.280 nan 0.000 0.514 103 G N 0.131 109.319 108.800 0.647 0.000 2.459 103 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 103 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 103 G C 2.080 177.106 174.900 0.211 0.000 1.183 103 G CA 0.975 46.318 45.100 0.405 0.000 0.776 103 G HN 0.498 nan 8.290 nan 0.000 0.552 104 G N 0.731 109.656 108.800 0.208 0.000 2.446 104 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 104 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 104 G C 1.778 176.827 174.900 0.247 0.000 1.168 104 G CA 1.100 46.348 45.100 0.246 0.000 0.771 104 G HN 0.424 nan 8.290 nan 0.000 0.551 105 L N -0.385 120.964 121.223 0.211 0.000 2.012 105 L HA 0.046 4.386 4.340 0.000 0.000 0.210 105 L C 2.498 179.432 176.870 0.106 0.000 1.073 105 L CA 1.673 56.579 54.840 0.110 0.000 0.748 105 L CB -0.573 41.489 42.059 0.005 0.000 0.891 105 L HN 0.168 nan 8.230 nan 0.000 0.431 106 F N -0.471 119.593 119.950 0.189 0.000 2.186 106 F HA -0.099 4.428 4.527 0.000 0.000 0.299 106 F C 2.344 178.248 175.800 0.175 0.000 1.090 106 F CA 1.053 59.145 58.000 0.153 0.000 1.307 106 F CB -0.754 38.332 39.000 0.143 0.000 1.019 106 F HN 0.050 nan 8.300 nan 0.000 0.489 107 I N -0.299 120.463 120.570 0.320 0.000 2.179 107 I HA -0.313 3.858 4.170 0.000 0.000 0.242 107 I C 2.718 179.100 176.117 0.442 0.000 1.088 107 I CA 1.378 62.844 61.300 0.276 0.000 1.357 107 I CB -0.456 37.544 38.000 0.001 0.000 1.051 107 I HN 0.030 nan 8.210 nan 0.000 0.409 108 R N 1.132 121.839 120.500 0.345 0.000 2.091 108 R HA -0.236 4.104 4.340 0.000 0.000 0.238 108 R C 2.436 178.818 176.300 0.136 0.000 1.136 108 R CA 1.785 58.070 56.100 0.308 0.000 0.959 108 R CB -0.308 30.090 30.300 0.162 0.000 0.856 108 R HN 0.302 nan 8.270 nan 0.000 0.437 109 M N 0.181 119.868 119.600 0.145 0.000 2.073 109 M HA -0.204 4.276 4.480 0.000 0.000 0.258 109 M C 2.133 178.528 176.300 0.158 0.000 1.070 109 M CA 2.363 57.730 55.300 0.112 0.000 1.103 109 M CB -0.241 32.489 32.600 0.218 0.000 1.321 109 M HN 0.352 nan 8.290 nan 0.000 0.405 110 A N 0.278 123.273 122.820 0.291 0.000 1.930 110 A HA -0.221 4.099 4.320 0.000 0.000 0.217 110 A C 2.043 179.761 177.584 0.223 0.000 1.175 110 A CA 1.348 53.541 52.037 0.261 0.000 0.627 110 A CB -1.519 17.732 19.000 0.418 0.000 0.815 110 A HN 0.930 nan 8.150 nan 0.000 0.443 111 W N 0.429 121.888 121.300 0.265 0.000 2.335 111 W HA -0.238 4.422 4.660 0.000 0.000 0.311 111 W C 1.831 178.482 176.519 0.220 0.000 1.213 111 W CA 1.876 59.364 57.345 0.239 0.000 1.274 111 W CB -0.709 29.029 29.460 0.463 0.000 1.148 111 W HN 0.594 nan 8.180 nan 0.000 0.498 112 H N -0.210 118.557 119.070 -0.506 0.000 2.423 112 H HA -0.158 4.398 4.556 0.000 0.000 0.297 112 H C 2.698 177.762 175.328 -0.439 0.000 1.075 112 H CA 1.299 56.950 56.048 -0.661 0.000 1.342 112 H CB -0.162 29.360 29.762 -0.401 0.000 1.395 112 H HN 0.131 nan 8.280 nan 0.000 0.530 113 S N 0.523 116.143 115.700 -0.133 0.000 2.365 113 S HA -0.211 4.259 4.470 0.000 0.000 0.225 113 S C 2.369 176.851 174.600 -0.197 0.000 1.039 113 S CA 1.207 59.312 58.200 -0.158 0.000 1.033 113 S CB -0.221 62.923 63.200 -0.093 0.000 0.887 113 S HN 0.503 nan 8.310 nan 0.000 0.447 114 A N 0.200 122.905 122.820 -0.192 0.000 2.016 114 A HA 0.286 4.606 4.320 0.000 0.000 0.217 114 A C 2.160 179.635 177.584 -0.181 0.000 1.162 114 A CA 1.278 53.204 52.037 -0.185 0.000 0.662 114 A CB -1.113 17.776 19.000 -0.185 0.000 0.812 114 A HN 0.623 nan 8.150 nan 0.000 0.450 115 G N -0.447 108.099 108.800 -0.422 0.000 2.848 115 G HA2 0.045 4.005 3.960 0.000 0.000 0.208 115 G HA3 0.045 4.005 3.960 0.000 0.000 0.208 115 G C 1.303 175.838 174.900 -0.609 0.000 1.152 115 G CA 1.393 46.071 45.100 -0.703 0.000 0.789 115 G HN 0.623 nan 8.290 nan 0.000 0.531 116 T N -3.052 111.309 114.554 -0.321 0.000 3.081 116 T HA 0.084 4.434 4.350 0.000 0.000 0.255 116 T C 0.955 175.730 174.700 0.124 0.000 1.113 116 T CA -0.551 61.480 62.100 -0.116 0.000 1.082 116 T CB -0.279 68.485 68.868 -0.174 0.000 0.939 116 T HN 0.159 nan 8.240 nan 0.000 0.506 117 Y N 3.495 123.780 120.300 -0.024 0.000 2.810 117 Y HA 0.286 4.836 4.550 0.000 0.000 0.332 117 Y C 0.087 176.026 175.900 0.065 0.000 1.243 117 Y CA -0.582 57.528 58.100 0.017 0.000 1.537 117 Y CB 0.247 38.693 38.460 -0.023 0.000 1.265 117 Y HN 0.089 nan 8.280 nan 0.000 0.572 118 R N 3.569 123.712 120.500 -0.596 0.000 2.437 118 R HA 0.233 4.573 4.340 0.000 0.000 0.310 118 R C 0.911 176.693 176.300 -0.863 0.000 0.955 118 R CA -0.422 55.369 56.100 -0.515 0.000 0.851 118 R CB 1.484 31.644 30.300 -0.234 0.000 1.161 118 R HN 0.708 nan 8.270 nan 0.000 0.446 119 T N 1.155 115.392 114.554 -0.529 0.000 2.962 119 T HA -0.075 4.275 4.350 0.000 0.000 0.270 119 T C 1.734 176.323 174.700 -0.185 0.000 1.088 119 T CA 1.724 63.643 62.100 -0.302 0.000 1.127 119 T CB 0.010 68.869 68.868 -0.015 0.000 0.883 119 T HN 0.670 nan 8.240 nan 0.000 0.493 120 A N 1.793 124.511 122.820 -0.170 0.000 1.902 120 A HA -0.084 4.236 4.320 0.000 0.000 0.217 120 A C 1.894 179.396 177.584 -0.137 0.000 1.181 120 A CA 2.113 54.078 52.037 -0.121 0.000 0.623 120 A CB -0.279 18.660 19.000 -0.101 0.000 0.818 120 A HN 0.732 nan 8.150 nan 0.000 0.443 121 D N -4.527 115.767 120.400 -0.177 0.000 2.514 121 D HA 0.281 4.922 4.640 0.000 0.000 0.225 121 D C 1.103 177.302 176.300 -0.168 0.000 1.159 121 D CA 0.992 54.896 54.000 -0.159 0.000 0.823 121 D CB -0.473 40.236 40.800 -0.151 0.000 1.097 121 D HN 0.862 nan 8.370 nan 0.000 0.519 122 G N 0.877 109.532 108.800 -0.242 0.000 2.184 122 G HA2 -0.341 3.620 3.960 0.000 0.000 0.264 122 G HA3 -0.341 3.620 3.960 0.000 0.000 0.264 122 G C 0.370 175.200 174.900 -0.116 0.000 0.975 122 G CA 0.240 45.237 45.100 -0.171 0.000 0.642 122 G HN 0.468 nan 8.290 nan 0.000 0.536 123 R N 0.311 120.703 120.500 -0.181 0.000 2.649 123 R HA 0.530 4.870 4.340 0.000 0.000 0.270 123 R C 1.226 177.485 176.300 -0.067 0.000 1.105 123 R CA 0.365 56.386 56.100 -0.131 0.000 1.193 123 R CB 0.279 30.450 30.300 -0.216 0.000 1.120 123 R HN 1.453 nan 8.270 nan 0.000 0.561 124 G N -0.515 108.304 108.800 0.033 0.000 2.804 124 G HA2 0.139 4.099 3.960 0.000 0.000 0.230 124 G HA3 0.139 4.099 3.960 0.000 0.000 0.230 124 G C 0.130 175.137 174.900 0.179 0.000 1.386 124 G CA -0.369 44.846 45.100 0.191 0.000 0.875 124 G HN 1.156 nan 8.290 nan 0.000 0.557 125 G N -2.711 106.162 108.800 0.121 0.000 2.655 125 G HA2 0.455 4.415 3.960 0.000 0.000 0.680 125 G HA3 0.455 4.415 3.960 0.000 0.000 0.680 125 G C 0.896 175.749 174.900 -0.078 0.000 1.302 125 G CA 0.986 46.103 45.100 0.028 0.000 0.872 125 G HN 2.471 nan 8.290 nan 0.000 0.540 126 A N -0.395 122.335 122.820 -0.150 0.000 2.208 126 A HA 0.491 4.812 4.320 0.000 0.000 0.209 126 A C 2.559 180.045 177.584 -0.163 0.000 1.161 126 A CA 1.828 53.764 52.037 -0.169 0.000 0.782 126 A CB -0.478 18.393 19.000 -0.214 0.000 0.816 126 A HN 2.298 nan 8.150 nan 0.000 0.477 127 G N -0.205 108.500 108.800 -0.158 0.000 2.509 127 G HA2 -0.103 3.857 3.960 0.000 0.000 0.218 127 G HA3 -0.103 3.857 3.960 0.000 0.000 0.218 127 G C 1.068 175.885 174.900 -0.137 0.000 1.124 127 G CA 0.939 45.942 45.100 -0.161 0.000 0.776 127 G HN 0.652 nan 8.290 nan 0.000 0.547 128 E N -0.976 119.154 120.200 -0.116 0.000 2.630 128 E HA 0.299 4.650 4.350 0.000 0.000 0.218 128 E C 1.355 177.889 176.600 -0.110 0.000 0.977 128 E CA 0.055 56.385 56.400 -0.117 0.000 1.038 128 E CB 0.696 30.334 29.700 -0.104 0.000 1.051 128 E HN 0.251 nan 8.360 nan 0.000 0.487 129 G N 2.351 111.082 108.800 -0.115 0.000 2.283 129 G HA2 -0.333 3.627 3.960 0.000 0.000 0.280 129 G HA3 -0.333 3.627 3.960 0.000 0.000 0.280 129 G C 0.880 175.671 174.900 -0.181 0.000 1.029 129 G CA 0.299 45.319 45.100 -0.135 0.000 0.840 129 G HN 0.199 nan 8.290 nan 0.000 0.505 130 Q N -0.820 118.919 119.800 -0.101 0.000 2.500 130 Q HA -0.040 4.301 4.340 0.000 0.000 0.213 130 Q C 2.332 178.228 176.000 -0.174 0.000 0.974 130 Q CA 1.225 57.012 55.803 -0.026 0.000 0.918 130 Q CB 0.010 28.770 28.738 0.037 0.000 0.980 130 Q HN 0.896 nan 8.270 nan 0.000 0.505 131 Q N 1.082 120.724 119.800 -0.263 0.000 2.291 131 Q HA -0.160 4.181 4.340 0.000 0.000 0.206 131 Q C 1.714 177.491 176.000 -0.372 0.000 0.976 131 Q CA 1.000 56.617 55.803 -0.310 0.000 0.875 131 Q CB 0.138 28.724 28.738 -0.253 0.000 0.927 131 Q HN 0.359 nan 8.270 nan 0.000 0.450 132 R N -1.296 118.873 120.500 -0.551 0.000 2.310 132 R HA 0.099 4.439 4.340 0.000 0.000 0.202 132 R C -0.254 175.599 176.300 -0.746 0.000 0.933 132 R CA -0.022 55.629 56.100 -0.749 0.000 1.054 132 R CB 0.160 29.814 30.300 -1.076 0.000 0.985 132 R HN 0.018 nan 8.270 nan 0.000 0.489 133 F N 0.557 120.377 119.950 -0.216 0.000 2.594 133 F HA 0.613 5.140 4.527 0.000 0.000 0.335 133 F C 0.538 176.251 175.800 -0.146 0.000 1.058 133 F CA -1.601 56.307 58.000 -0.154 0.000 0.981 133 F CB 1.192 40.127 39.000 -0.108 0.000 1.289 133 F HN -0.086 nan 8.300 nan 0.000 0.490 134 A N 1.618 124.516 122.820 0.131 0.000 2.351 134 A HA 0.358 4.678 4.320 0.000 0.000 0.257 134 A C -1.780 175.846 177.584 0.071 0.000 1.087 134 A CA -1.105 50.965 52.037 0.055 0.000 0.798 134 A CB -0.153 18.889 19.000 0.070 0.000 1.033 134 A HN 0.556 nan 8.150 nan 0.000 0.488 135 P HA 0.005 nan 4.420 nan 0.000 0.235 135 P C 1.260 178.403 177.300 -0.261 0.000 1.177 135 P CA 0.553 63.684 63.100 0.051 0.000 0.785 135 P CB 0.091 31.967 31.700 0.293 0.000 0.885 136 L N 1.053 121.929 121.223 -0.578 0.000 2.083 136 L HA -0.178 4.162 4.340 0.000 0.000 0.209 136 L C 2.299 178.896 176.870 -0.455 0.000 1.083 136 L CA 1.879 56.154 54.840 -0.942 0.000 0.752 136 L CB -1.296 40.246 42.059 -0.862 0.000 0.899 136 L HN 0.131 nan 8.230 nan 0.000 0.433 137 N N -1.220 117.318 118.700 -0.270 0.000 2.513 137 N HA -0.162 4.578 4.740 0.000 0.000 0.187 137 N C 1.170 176.666 175.510 -0.024 0.000 1.056 137 N CA 1.372 54.329 53.050 -0.155 0.000 0.907 137 N CB -0.289 38.086 38.487 -0.186 0.000 0.954 137 N HN 0.109 nan 8.380 nan 0.000 0.445 138 S N -1.938 113.736 115.700 -0.043 0.000 2.780 138 S HA 0.171 4.641 4.470 0.000 0.000 0.248 138 S C -0.675 173.926 174.600 0.002 0.000 1.036 138 S CA -0.803 57.371 58.200 -0.043 0.000 1.061 138 S CB 0.118 63.213 63.200 -0.175 0.000 1.037 138 S HN 0.241 nan 8.310 nan 0.000 0.584 139 W N 3.373 124.510 121.300 -0.271 0.000 2.231 139 W HA 0.210 4.870 4.660 0.000 0.000 0.341 139 W C -1.968 174.393 176.519 -0.264 0.000 1.298 139 W CA -1.873 55.199 57.345 -0.456 0.000 1.266 139 W CB -0.331 28.933 29.460 -0.326 0.000 1.172 139 W HN 0.106 nan 8.180 nan 0.000 0.568 140 P HA -0.217 nan 4.420 nan 0.000 0.215 140 P C 1.216 178.425 177.300 -0.153 0.000 1.153 140 P CA 1.827 64.840 63.100 -0.146 0.000 0.853 140 P CB 0.316 31.924 31.700 -0.152 0.000 0.788 141 D N -1.433 118.927 120.400 -0.067 0.000 2.309 141 D HA -0.092 4.548 4.640 0.000 0.000 0.212 141 D C 0.900 177.263 176.300 0.104 0.000 0.968 141 D CA 0.813 54.822 54.000 0.015 0.000 0.882 141 D CB -0.575 40.199 40.800 -0.044 0.000 0.918 141 D HN 0.058 nan 8.370 nan 0.000 0.503 142 N N -0.079 118.633 118.700 0.019 0.000 2.251 142 N HA 0.167 4.907 4.740 0.000 0.000 0.217 142 N C -0.324 174.935 175.510 -0.417 0.000 1.124 142 N CA -0.083 52.947 53.050 -0.034 0.000 0.843 142 N CB 0.386 38.891 38.487 0.030 0.000 1.024 142 N HN 0.001 nan 8.380 nan 0.000 0.501 143 A N 1.005 123.314 122.820 -0.852 0.000 2.540 143 A HA 0.117 4.437 4.320 0.000 0.000 0.239 143 A C 0.953 177.969 177.584 -0.947 0.000 1.061 143 A CA 0.011 50.951 52.037 -1.828 0.000 0.758 143 A CB -0.009 18.031 19.000 -1.600 0.000 0.991 143 A HN 0.443 nan 8.150 nan 0.000 0.502 144 N N -0.020 118.186 118.700 -0.825 0.000 2.857 144 N HA -0.191 4.549 4.740 0.000 0.000 0.242 144 N C 0.711 176.013 175.510 -0.347 0.000 0.983 144 N CA 1.573 54.342 53.050 -0.467 0.000 0.934 144 N CB -1.281 36.927 38.487 -0.465 0.000 1.115 144 N HN 0.687 nan 8.380 nan 0.000 0.593 145 L N 0.998 122.074 121.223 -0.246 0.000 2.376 145 L HA -0.095 4.246 4.340 0.000 0.000 0.219 145 L C 2.139 178.956 176.870 -0.089 0.000 1.133 145 L CA 1.220 55.976 54.840 -0.140 0.000 0.816 145 L CB -0.350 41.641 42.059 -0.113 0.000 0.933 145 L HN 0.220 nan 8.230 nan 0.000 0.449 146 D N 0.318 120.693 120.400 -0.040 0.000 2.149 146 D HA -0.223 4.418 4.640 0.000 0.000 0.198 146 D C 1.662 177.912 176.300 -0.084 0.000 0.990 146 D CA 1.134 55.105 54.000 -0.047 0.000 0.839 146 D CB -0.159 40.659 40.800 0.031 0.000 0.948 146 D HN 0.201 nan 8.370 nan 0.000 0.460 147 K N 1.213 121.504 120.400 -0.181 0.000 2.025 147 K HA 0.059 4.379 4.320 0.000 0.000 0.207 147 K C 2.430 179.026 176.600 -0.007 0.000 1.049 147 K CA 1.190 57.387 56.287 -0.151 0.000 0.933 147 K CB -0.858 31.160 32.500 -0.803 0.000 0.714 147 K HN 0.264 nan 8.250 nan 0.000 0.438 148 A N 2.160 124.923 122.820 -0.095 0.000 1.865 148 A HA -0.214 4.107 4.320 0.000 0.000 0.217 148 A C 2.308 180.062 177.584 0.283 0.000 1.191 148 A CA 1.751 53.804 52.037 0.027 0.000 0.623 148 A CB -0.521 18.493 19.000 0.022 0.000 0.826 148 A HN 0.283 nan 8.150 nan 0.000 0.444 149 R N -1.404 119.193 120.500 0.161 0.000 2.081 149 R HA -0.136 4.204 4.340 0.000 0.000 0.235 149 R C 2.429 178.898 176.300 0.281 0.000 1.131 149 R CA 1.552 57.752 56.100 0.167 0.000 0.960 149 R CB -0.277 29.939 30.300 -0.140 0.000 0.856 149 R HN 0.437 nan 8.270 nan 0.000 0.436 150 R N 1.336 121.963 120.500 0.212 0.000 2.115 150 R HA -0.036 4.304 4.340 0.000 0.000 0.230 150 R C 1.922 178.513 176.300 0.484 0.000 1.111 150 R CA 1.197 57.464 56.100 0.278 0.000 0.976 150 R CB -0.528 29.823 30.300 0.085 0.000 0.870 150 R HN 0.207 nan 8.270 nan 0.000 0.445 151 L N -0.167 121.355 121.223 0.499 0.000 2.201 151 L HA -0.086 4.254 4.340 0.000 0.000 0.212 151 L C 1.734 178.825 176.870 0.368 0.000 1.105 151 L CA 0.847 55.939 54.840 0.421 0.000 0.775 151 L CB -0.197 41.972 42.059 0.183 0.000 0.913 151 L HN 0.208 nan 8.230 nan 0.000 0.440 152 L N -1.671 119.793 121.223 0.401 0.000 2.554 152 L HA -0.130 4.210 4.340 0.000 0.000 0.226 152 L C 2.185 179.227 176.870 0.286 0.000 1.137 152 L CA 0.242 55.255 54.840 0.289 0.000 0.863 152 L CB -0.406 41.836 42.059 0.306 0.000 0.985 152 L HN 0.495 nan 8.230 nan 0.000 0.451 153 W N 2.979 124.441 121.300 0.268 0.000 2.355 153 W HA -0.149 4.511 4.660 0.000 0.000 0.309 153 W C -0.917 175.653 176.519 0.085 0.000 1.206 153 W CA 1.101 58.573 57.345 0.211 0.000 1.284 153 W CB -1.092 28.522 29.460 0.256 0.000 1.145 153 W HN 0.102 nan 8.180 nan 0.000 0.502 154 P HA -0.218 nan 4.420 nan 0.000 0.216 154 P C 1.671 178.776 177.300 -0.324 0.000 1.150 154 P CA 2.179 65.071 63.100 -0.348 0.000 0.843 154 P CB -0.309 31.341 31.700 -0.083 0.000 0.787 155 I N -1.053 119.420 120.570 -0.162 0.000 2.233 155 I HA -0.213 3.957 4.170 0.000 0.000 0.243 155 I C 2.398 178.448 176.117 -0.112 0.000 1.093 155 I CA 1.218 62.478 61.300 -0.067 0.000 1.380 155 I CB -0.321 37.690 38.000 0.019 0.000 1.067 155 I HN -0.155 nan 8.210 nan 0.000 0.413 156 K N 1.217 121.460 120.400 -0.261 0.000 2.044 156 K HA -0.291 4.029 4.320 0.000 0.000 0.210 156 K C 2.143 178.534 176.600 -0.348 0.000 1.049 156 K CA 1.866 57.939 56.287 -0.358 0.000 0.927 156 K CB -0.348 31.776 32.500 -0.627 0.000 0.713 156 K HN 0.309 nan 8.250 nan 0.000 0.443 157 Q N 0.286 119.645 119.800 -0.735 0.000 2.084 157 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 157 Q C 2.049 177.790 176.000 -0.431 0.000 0.978 157 Q CA 1.943 57.252 55.803 -0.822 0.000 0.844 157 Q CB -0.167 27.698 28.738 -1.456 0.000 0.898 157 Q HN 0.357 nan 8.270 nan 0.000 0.426 158 K N -0.736 119.411 120.400 -0.422 0.000 2.057 158 K HA -0.188 4.132 4.320 0.000 0.000 0.207 158 K C 1.347 177.650 176.600 -0.496 0.000 1.049 158 K CA 1.641 57.650 56.287 -0.463 0.000 0.931 158 K CB -0.126 32.023 32.500 -0.585 0.000 0.714 158 K HN 0.328 nan 8.250 nan 0.000 0.440 159 Y N -0.075 120.145 120.300 -0.134 0.000 2.510 159 Y HA 0.171 4.721 4.550 0.000 0.000 0.273 159 Y C 1.506 177.388 175.900 -0.030 0.000 1.119 159 Y CA 0.212 58.268 58.100 -0.073 0.000 1.286 159 Y CB 0.489 38.908 38.460 -0.067 0.000 1.061 159 Y HN 0.389 nan 8.280 nan 0.000 0.542 160 G N 1.748 110.578 108.800 0.050 0.000 2.596 160 G HA2 -0.434 3.526 3.960 0.000 0.000 0.295 160 G HA3 -0.434 3.526 3.960 0.000 0.000 0.295 160 G C 1.157 176.149 174.900 0.153 0.000 1.240 160 G CA 0.712 45.856 45.100 0.073 0.000 0.985 160 G HN 0.491 nan 8.290 nan 0.000 0.555 161 R N 0.819 121.428 120.500 0.181 0.000 2.280 161 R HA 0.399 4.740 4.340 0.000 0.000 0.207 161 R C 2.503 179.099 176.300 0.492 0.000 1.043 161 R CA 1.810 58.086 56.100 0.294 0.000 1.006 161 R CB -0.337 30.059 30.300 0.160 0.000 0.885 161 R HN 1.034 nan 8.270 nan 0.000 0.467 162 A N 1.334 124.367 122.820 0.354 0.000 2.119 162 A HA 0.146 4.466 4.320 0.000 0.000 0.217 162 A C 1.098 178.923 177.584 0.401 0.000 1.153 162 A CA 0.429 52.652 52.037 0.310 0.000 0.692 162 A CB 0.041 19.145 19.000 0.172 0.000 0.799 162 A HN 0.427 nan 8.150 nan 0.000 0.458 163 I N 0.625 121.444 120.570 0.414 0.000 2.534 163 I HA 0.282 4.452 4.170 0.000 0.000 0.288 163 I C -0.002 176.287 176.117 0.288 0.000 1.077 163 I CA -0.714 60.852 61.300 0.442 0.000 1.051 163 I CB 2.023 40.150 38.000 0.211 0.000 1.234 163 I HN 0.191 nan 8.210 nan 0.000 0.425 164 S N 4.543 120.394 115.700 0.251 0.000 2.592 164 S HA 0.156 4.626 4.470 0.000 0.000 0.271 164 S C 0.730 175.325 174.600 -0.009 0.000 1.326 164 S CA -0.303 57.864 58.200 -0.057 0.000 1.024 164 S CB 0.782 63.711 63.200 -0.452 0.000 0.921 164 S HN 0.805 nan 8.310 nan 0.000 0.527 165 W N 1.628 122.904 121.300 -0.040 0.000 2.318 165 W HA -0.165 4.495 4.660 -0.000 0.000 0.313 165 W C 2.800 179.269 176.519 -0.084 0.000 1.221 165 W CA 1.493 58.804 57.345 -0.055 0.000 1.266 165 W CB -0.705 28.681 29.460 -0.123 0.000 1.150 165 W HN 0.948 nan 8.180 nan 0.000 0.496 166 A N 0.271 123.149 122.820 0.097 0.000 1.873 166 A HA -0.289 4.031 4.320 0.000 0.000 0.218 166 A C 1.679 179.270 177.584 0.013 0.000 1.193 166 A CA 2.442 54.472 52.037 -0.011 0.000 0.629 166 A CB -1.000 17.934 19.000 -0.110 0.000 0.826 166 A HN 0.218 nan 8.150 nan 0.000 0.447 167 D N -0.843 119.581 120.400 0.040 0.000 2.123 167 D HA -0.075 4.565 4.640 0.000 0.000 0.200 167 D C 1.855 178.281 176.300 0.212 0.000 0.976 167 D CA 1.067 55.159 54.000 0.155 0.000 0.831 167 D CB -0.405 40.534 40.800 0.233 0.000 0.974 167 D HN 0.310 nan 8.370 nan 0.000 0.469 168 L N 0.849 122.147 121.223 0.126 0.000 2.042 168 L HA -0.118 4.223 4.340 0.000 0.000 0.210 168 L C 2.136 179.044 176.870 0.063 0.000 1.076 168 L CA 1.347 56.218 54.840 0.051 0.000 0.749 168 L CB -0.536 41.498 42.059 -0.041 0.000 0.893 168 L HN 0.023 nan 8.230 nan 0.000 0.432 169 L N -1.238 120.062 121.223 0.128 0.000 2.042 169 L HA -0.246 4.094 4.340 0.000 0.000 0.210 169 L C 2.454 179.388 176.870 0.106 0.000 1.076 169 L CA 0.932 55.844 54.840 0.121 0.000 0.749 169 L CB -0.710 41.414 42.059 0.108 0.000 0.893 169 L HN 0.277 nan 8.230 nan 0.000 0.432 170 I N -0.485 120.154 120.570 0.115 0.000 2.233 170 I HA -0.228 3.942 4.170 0.000 0.000 0.243 170 I C 2.481 178.706 176.117 0.180 0.000 1.093 170 I CA 1.198 62.599 61.300 0.167 0.000 1.380 170 I CB -1.051 37.033 38.000 0.140 0.000 1.067 170 I HN 0.216 nan 8.210 nan 0.000 0.413 171 L N 0.866 122.095 121.223 0.010 0.000 2.012 171 L HA -0.207 4.133 4.340 0.000 0.000 0.210 171 L C 2.490 179.257 176.870 -0.173 0.000 1.073 171 L CA 2.096 56.711 54.840 -0.376 0.000 0.748 171 L CB -1.028 40.704 42.059 -0.545 0.000 0.891 171 L HN 0.192 nan 8.230 nan 0.000 0.431 172 T N -0.488 113.993 114.554 -0.120 0.000 2.684 172 T HA -0.164 4.186 4.350 0.000 0.000 0.267 172 T C 1.735 176.417 174.700 -0.030 0.000 1.036 172 T CA 1.400 63.395 62.100 -0.175 0.000 1.148 172 T CB -1.108 67.555 68.868 -0.341 0.000 0.863 172 T HN 0.610 nan 8.240 nan 0.000 0.436 173 G N 1.885 110.770 108.800 0.142 0.000 2.476 173 G HA2 -0.309 3.652 3.960 0.000 0.000 0.218 173 G HA3 -0.309 3.652 3.960 0.000 0.000 0.218 173 G C 1.633 176.645 174.900 0.187 0.000 1.164 173 G CA 1.130 46.410 45.100 0.300 0.000 0.768 173 G HN 0.418 nan 8.290 nan 0.000 0.560 174 N N 0.109 118.953 118.700 0.239 0.000 2.120 174 N HA -0.086 4.654 4.740 0.000 0.000 0.188 174 N C 2.230 177.754 175.510 0.022 0.000 1.024 174 N CA 1.112 54.254 53.050 0.153 0.000 0.852 174 N CB -0.479 38.113 38.487 0.174 0.000 1.003 174 N HN 0.213 nan 8.380 nan 0.000 0.424 175 V N 0.913 120.823 119.914 -0.006 0.000 2.453 175 V HA -0.118 4.002 4.120 0.000 0.000 0.247 175 V C 2.253 178.382 176.094 0.059 0.000 1.048 175 V CA 1.515 63.822 62.300 0.013 0.000 1.049 175 V CB -0.980 30.834 31.823 -0.015 0.000 0.672 175 V HN 0.306 nan 8.190 nan 0.000 0.457 176 A N 0.257 123.105 122.820 0.047 0.000 1.859 176 A HA -0.247 4.073 4.320 0.000 0.000 0.217 176 A C 2.225 179.753 177.584 -0.093 0.000 1.198 176 A CA 2.243 54.320 52.037 0.066 0.000 0.629 176 A CB -0.749 18.311 19.000 0.100 0.000 0.830 176 A HN 0.472 nan 8.150 nan 0.000 0.446 177 L N -0.842 120.238 121.223 -0.238 0.000 2.013 177 L HA -0.290 4.050 4.340 0.000 0.000 0.212 177 L C 2.714 179.566 176.870 -0.029 0.000 1.073 177 L CA 2.133 56.789 54.840 -0.305 0.000 0.753 177 L CB -0.673 41.170 42.059 -0.361 0.000 0.890 177 L HN 0.518 nan 8.230 nan 0.000 0.432 178 E N -0.332 119.881 120.200 0.021 0.000 2.051 178 E HA -0.213 4.137 4.350 0.000 0.000 0.192 178 E C 2.243 178.926 176.600 0.137 0.000 0.991 178 E CA 1.568 58.005 56.400 0.062 0.000 0.799 178 E CB -0.160 29.562 29.700 0.036 0.000 0.748 178 E HN 0.546 nan 8.360 nan 0.000 0.449 179 S N 0.436 116.261 115.700 0.209 0.000 2.440 179 S HA -0.129 4.341 4.470 0.000 0.000 0.238 179 S C 1.718 176.472 174.600 0.257 0.000 1.010 179 S CA 1.000 59.397 58.200 0.327 0.000 0.972 179 S CB -0.129 63.232 63.200 0.269 0.000 0.774 179 S HN 0.171 nan 8.310 nan 0.000 0.501 180 M N 0.619 120.320 119.600 0.168 0.000 2.475 180 M HA 0.344 4.824 4.480 0.000 0.000 0.283 180 M C 1.243 177.719 176.300 0.293 0.000 1.165 180 M CA 0.382 55.788 55.300 0.178 0.000 0.976 180 M CB 0.823 33.480 32.600 0.095 0.000 1.428 180 M HN 0.558 nan 8.290 nan 0.000 0.495 181 G N 1.362 110.303 108.800 0.236 0.000 2.157 181 G HA2 -0.277 3.683 3.960 0.000 0.000 0.239 181 G HA3 -0.277 3.683 3.960 0.000 0.000 0.239 181 G C -0.295 174.722 174.900 0.195 0.000 0.982 181 G CA -0.496 44.742 45.100 0.230 0.000 0.650 181 G HN 0.464 nan 8.290 nan 0.000 0.527 182 F N 2.019 121.947 119.950 -0.037 0.000 2.404 182 F HA 0.629 5.157 4.527 0.000 0.000 0.354 182 F C 0.593 176.246 175.800 -0.246 0.000 1.122 182 F CA -1.139 56.679 58.000 -0.303 0.000 1.080 182 F CB 1.015 39.761 39.000 -0.425 0.000 1.131 182 F HN -0.008 nan 8.300 nan 0.000 0.471 183 K N 5.567 125.459 120.400 -0.848 0.000 2.338 183 K HA 0.168 4.488 4.320 0.000 0.000 0.290 183 K C -0.023 176.106 176.600 -0.785 0.000 1.069 183 K CA -0.267 55.642 56.287 -0.630 0.000 0.941 183 K CB 0.340 32.552 32.500 -0.480 0.000 1.023 183 K HN 0.804 nan 8.250 nan 0.000 0.477 184 T N 1.159 115.538 114.554 -0.292 0.000 2.868 184 T HA 0.081 4.431 4.350 0.000 0.000 0.292 184 T C 0.864 175.572 174.700 0.012 0.000 1.028 184 T CA -0.585 61.495 62.100 -0.034 0.000 1.059 184 T CB 0.568 69.525 68.868 0.148 0.000 0.991 184 T HN 0.506 nan 8.240 nan 0.000 0.531 185 F N 1.316 121.242 119.950 -0.040 0.000 2.502 185 F HA 0.368 4.895 4.527 0.000 0.000 0.298 185 F C 1.342 177.015 175.800 -0.212 0.000 1.111 185 F CA 1.025 58.947 58.000 -0.130 0.000 1.445 185 F CB -0.471 38.467 39.000 -0.103 0.000 1.081 185 F HN 1.225 nan 8.300 nan 0.000 0.558 186 G N -0.840 107.958 108.800 -0.003 0.000 2.357 186 G HA2 0.259 4.219 3.960 0.000 0.000 0.289 186 G HA3 0.259 4.219 3.960 0.000 0.000 0.289 186 G C -2.023 173.084 174.900 0.345 0.000 1.302 186 G CA -0.517 44.568 45.100 -0.024 0.000 0.936 186 G HN 0.216 nan 8.290 nan 0.000 0.513 187 F N 0.211 120.258 119.950 0.162 0.000 2.635 187 F HA 0.761 5.288 4.527 0.000 0.000 0.314 187 F C -0.529 175.425 175.800 0.257 0.000 1.119 187 F CA 0.041 58.232 58.000 0.319 0.000 1.000 187 F CB 1.627 40.775 39.000 0.246 0.000 1.278 187 F HN 1.415 nan 8.300 nan 0.000 0.446 188 A N 3.467 126.025 122.820 -0.437 0.000 2.342 188 A HA 0.812 5.133 4.320 0.000 0.000 0.323 188 A C -0.180 176.714 177.584 -1.150 0.000 1.125 188 A CA -0.143 51.538 52.037 -0.594 0.000 0.785 188 A CB 0.946 19.613 19.000 -0.554 0.000 1.221 188 A HN 1.261 nan 8.150 nan 0.000 0.463 189 G N -0.411 107.905 108.800 -0.806 0.000 2.537 189 G HA2 0.565 4.525 3.960 0.000 0.000 0.297 189 G HA3 0.565 4.525 3.960 0.000 0.000 0.297 189 G C 0.855 175.305 174.900 -0.749 0.000 1.310 189 G CA -0.177 44.313 45.100 -1.016 0.000 1.027 189 G HN 2.189 nan 8.290 nan 0.000 0.505 190 G N -1.557 106.883 108.800 -0.600 0.000 2.175 190 G HA2 -0.196 3.764 3.960 0.000 0.000 0.182 190 G HA3 -0.196 3.764 3.960 0.000 0.000 0.182 190 G C 0.417 175.316 174.900 -0.001 0.000 1.003 190 G CA -0.213 44.783 45.100 -0.173 0.000 0.666 190 G HN 0.725 nan 8.290 nan 0.000 0.506 191 R N 1.176 121.629 120.500 -0.078 0.000 2.351 191 R HA 0.571 4.911 4.340 0.000 0.000 0.321 191 R C 0.896 177.057 176.300 -0.231 0.000 1.182 191 R CA 0.452 56.471 56.100 -0.135 0.000 1.011 191 R CB 0.762 30.953 30.300 -0.182 0.000 1.048 191 R HN 0.492 nan 8.270 nan 0.000 0.490 192 A N 3.142 125.861 122.820 -0.169 0.000 2.477 192 A HA 0.028 4.349 4.320 0.000 0.000 0.246 192 A C -0.033 177.388 177.584 -0.271 0.000 1.078 192 A CA -0.392 51.465 52.037 -0.299 0.000 0.770 192 A CB 0.248 19.252 19.000 0.006 0.000 1.011 192 A HN 0.552 nan 8.150 nan 0.000 0.494 193 D N 1.124 121.333 120.400 -0.318 0.000 2.423 193 D HA 0.337 4.978 4.640 0.000 0.000 0.238 193 D C 0.865 176.864 176.300 -0.502 0.000 1.142 193 D CA 0.998 54.769 54.000 -0.381 0.000 0.884 193 D CB 0.922 41.455 40.800 -0.444 0.000 1.199 193 D HN 0.697 nan 8.370 nan 0.000 0.438 194 T N -1.480 112.725 114.554 -0.581 0.000 2.950 194 T HA 0.510 4.860 4.350 0.000 0.000 0.288 194 T C 0.260 174.477 174.700 -0.806 0.000 1.035 194 T CA -0.812 60.964 62.100 -0.540 0.000 1.028 194 T CB 1.147 69.876 68.868 -0.231 0.000 1.109 194 T HN 0.528 nan 8.240 nan 0.000 0.514 195 W N 0.074 121.443 121.300 0.114 0.000 2.714 195 W HA 0.324 4.984 4.660 0.001 0.000 0.353 195 W C 0.549 176.823 176.519 -0.408 0.000 0.999 195 W CA -0.688 56.656 57.345 -0.001 0.000 1.629 195 W CB 0.611 30.110 29.460 0.066 0.000 1.106 195 W HN 0.931 nan 8.180 nan 0.000 0.545 196 E N -0.252 119.672 120.200 -0.461 0.000 2.430 196 E HA 0.397 4.747 4.350 0.000 0.000 0.279 196 E C -2.901 173.371 176.600 -0.546 0.000 1.003 196 E CA -2.646 53.389 56.400 -0.609 0.000 0.801 196 E CB 1.824 31.349 29.700 -0.290 0.000 1.313 196 E HN -0.377 nan 8.360 nan 0.000 0.459 197 P HA -0.022 nan 4.420 nan 0.000 0.268 197 P C -0.596 176.717 177.300 0.022 0.000 1.204 197 P CA 0.178 63.213 63.100 -0.108 0.000 0.768 197 P CB 0.501 32.188 31.700 -0.022 0.000 0.842 198 E N 2.628 122.897 120.200 0.115 0.000 2.383 198 E HA 0.024 4.374 4.350 0.000 0.000 0.264 198 E C -0.598 176.053 176.600 0.084 0.000 1.050 198 E CA -0.378 56.109 56.400 0.145 0.000 0.896 198 E CB 0.346 30.110 29.700 0.106 0.000 0.982 198 E HN 0.375 nan 8.360 nan 0.000 0.424 199 D N 3.927 124.352 120.400 0.042 0.000 2.380 199 D HA 0.205 4.845 4.640 0.000 0.000 0.230 199 D C -0.804 175.434 176.300 -0.103 0.000 1.154 199 D CA -0.104 53.890 54.000 -0.010 0.000 0.859 199 D CB 1.316 42.108 40.800 -0.014 0.000 1.045 199 D HN 0.082 nan 8.370 nan 0.000 0.495 200 V N 2.796 122.583 119.914 -0.212 0.000 2.789 200 V HA 0.128 4.248 4.120 0.000 0.000 0.311 200 V C -0.684 175.067 176.094 -0.572 0.000 1.073 200 V CA -1.101 60.865 62.300 -0.556 0.000 0.921 200 V CB 2.132 33.230 31.823 -1.209 0.000 1.009 200 V HN 0.394 nan 8.190 nan 0.000 0.426 201 Y N 2.540 122.524 120.300 -0.526 0.000 2.539 201 Y HA 0.294 4.844 4.550 0.000 0.000 0.352 201 Y C 0.193 175.896 175.900 -0.328 0.000 1.004 201 Y CA -0.694 57.215 58.100 -0.318 0.000 1.278 201 Y CB 0.699 39.041 38.460 -0.196 0.000 1.136 201 Y HN 0.772 nan 8.280 nan 0.000 0.528 202 W N 4.399 125.450 121.300 -0.415 0.000 3.278 202 W HA 0.466 5.126 4.660 -0.000 0.000 0.308 202 W C 0.819 176.986 176.519 -0.587 0.000 1.253 202 W CA 0.439 57.600 57.345 -0.307 0.000 1.759 202 W CB 0.461 29.954 29.460 0.054 0.000 1.093 202 W HN 0.991 nan 8.180 nan 0.000 0.648 203 G N -0.473 107.682 108.800 -1.076 0.000 2.357 203 G HA2 -0.076 3.884 3.960 0.000 0.000 0.643 203 G HA3 -0.076 3.884 3.960 0.000 0.000 0.643 203 G C -0.025 174.680 174.900 -0.324 0.000 1.358 203 G CA -0.364 44.311 45.100 -0.709 0.000 0.986 203 G HN -0.211 nan 8.290 nan 0.000 0.620 204 S N -0.173 115.503 115.700 -0.040 0.000 2.559 204 S HA 0.254 4.724 4.470 0.000 0.000 0.226 204 S C 0.551 175.137 174.600 -0.024 0.000 1.000 204 S CA 0.209 58.447 58.200 0.064 0.000 0.948 204 S CB 0.322 63.614 63.200 0.153 0.000 0.870 204 S HN 0.586 nan 8.310 nan 0.000 0.497 205 E N 1.796 121.948 120.200 -0.079 0.000 2.383 205 E HA 0.167 4.517 4.350 0.000 0.000 0.264 205 E C 0.640 177.134 176.600 -0.177 0.000 1.050 205 E CA 0.031 56.368 56.400 -0.106 0.000 0.896 205 E CB 0.466 30.101 29.700 -0.110 0.000 0.982 205 E HN -0.128 nan 8.360 nan 0.000 0.424 206 K N 1.627 121.933 120.400 -0.156 0.000 2.358 206 K HA 0.291 4.611 4.320 0.000 0.000 0.197 206 K C -0.075 176.384 176.600 -0.235 0.000 1.025 206 K CA 0.147 56.319 56.287 -0.190 0.000 1.104 206 K CB 0.315 32.747 32.500 -0.113 0.000 0.855 206 K HN 0.450 nan 8.250 nan 0.000 0.531 207 I N 0.213 120.651 120.570 -0.220 0.000 2.466 207 I HA 0.267 4.437 4.170 0.000 0.000 0.289 207 I C -0.547 175.469 176.117 -0.168 0.000 1.026 207 I CA -1.104 60.097 61.300 -0.164 0.000 1.078 207 I CB 1.326 39.295 38.000 -0.051 0.000 1.249 207 I HN -0.085 nan 8.210 nan 0.000 0.429 208 W N 6.709 127.986 121.300 -0.038 0.000 2.264 208 W HA 0.229 4.889 4.660 -0.000 0.000 0.331 208 W C 0.941 177.420 176.519 -0.067 0.000 1.364 208 W CA -0.127 57.176 57.345 -0.070 0.000 1.253 208 W CB 0.264 29.699 29.460 -0.041 0.000 1.215 208 W HN 0.462 nan 8.180 nan 0.000 0.561 209 L N 1.105 122.435 121.223 0.178 0.000 4.232 209 L HA -0.292 4.048 4.340 0.000 0.000 0.415 209 L C 0.717 177.619 176.870 0.053 0.000 1.168 209 L CA 0.273 55.160 54.840 0.079 0.000 0.966 209 L CB -1.712 40.396 42.059 0.081 0.000 2.052 209 L HN 0.571 nan 8.230 nan 0.000 0.887 210 E N 1.484 121.703 120.200 0.032 0.000 2.480 210 E HA 0.172 4.523 4.350 0.000 0.000 0.258 210 E C 0.387 177.010 176.600 0.038 0.000 0.984 210 E CA -0.240 56.174 56.400 0.024 0.000 0.930 210 E CB 0.531 30.229 29.700 -0.003 0.000 0.936 210 E HN 0.250 nan 8.360 nan 0.000 0.466 211 L N 3.514 124.760 121.223 0.039 0.000 2.483 211 L HA 0.008 4.348 4.340 0.000 0.000 0.275 211 L C 0.958 177.859 176.870 0.052 0.000 1.220 211 L CA -0.261 54.605 54.840 0.043 0.000 0.833 211 L CB 0.435 42.512 42.059 0.031 0.000 1.102 211 L HN 0.632 nan 8.230 nan 0.000 0.490 212 S N 0.560 116.294 115.700 0.058 0.000 2.576 212 S HA 0.374 4.844 4.470 0.000 0.000 0.272 212 S C 1.020 175.656 174.600 0.059 0.000 1.352 212 S CA -0.084 58.172 58.200 0.093 0.000 1.021 212 S CB 1.229 64.462 63.200 0.055 0.000 0.887 212 S HN 1.118 nan 8.310 nan 0.000 0.542 213 G N 0.586 109.435 108.800 0.082 0.000 2.157 213 G HA2 -0.053 3.907 3.960 0.000 0.000 0.239 213 G HA3 -0.053 3.907 3.960 0.000 0.000 0.239 213 G C 0.516 175.443 174.900 0.045 0.000 0.982 213 G CA 0.044 45.178 45.100 0.057 0.000 0.650 213 G HN 1.342 nan 8.290 nan 0.000 0.527 214 G N 0.256 109.083 108.800 0.045 0.000 2.588 214 G HA2 0.591 4.551 3.960 0.000 0.000 0.278 214 G HA3 0.591 4.551 3.960 0.000 0.000 0.278 214 G C -0.084 174.834 174.900 0.029 0.000 1.307 214 G CA 0.034 45.152 45.100 0.030 0.000 1.016 214 G HN 0.144 nan 8.290 nan 0.000 0.503 215 P HA -0.052 nan 4.420 nan 0.000 0.222 215 P C 0.479 177.792 177.300 0.022 0.000 1.147 215 P CA 0.862 63.973 63.100 0.018 0.000 0.790 215 P CB 0.329 32.035 31.700 0.009 0.000 0.780 216 N N -0.405 118.307 118.700 0.021 0.000 2.389 216 N HA 0.042 4.782 4.740 0.000 0.000 0.260 216 N C -0.052 175.480 175.510 0.038 0.000 1.191 216 N CA -0.029 53.036 53.050 0.026 0.000 0.885 216 N CB 0.306 38.798 38.487 0.009 0.000 1.162 216 N HN -0.013 nan 8.380 nan 0.000 0.512 217 S N 1.279 117.010 115.700 0.052 0.000 2.563 217 S HA -0.068 4.402 4.470 0.000 0.000 0.294 217 S C 1.558 176.198 174.600 0.067 0.000 1.279 217 S CA -0.193 58.056 58.200 0.082 0.000 1.069 217 S CB 0.490 63.754 63.200 0.107 0.000 0.828 217 S HN 0.449 nan 8.310 nan 0.000 0.497 218 R N 3.515 124.042 120.500 0.045 0.000 2.323 218 R HA 0.094 4.434 4.340 0.000 0.000 0.198 218 R C -0.544 175.616 176.300 -0.234 0.000 0.988 218 R CA 0.440 56.489 56.100 -0.085 0.000 1.041 218 R CB -0.168 30.034 30.300 -0.164 0.000 0.926 218 R HN 0.572 nan 8.270 nan 0.000 0.476 219 Y N 0.530 120.856 120.300 0.042 0.000 2.468 219 Y HA 0.432 4.982 4.550 0.000 0.000 0.342 219 Y C 0.280 176.203 175.900 0.038 0.000 1.021 219 Y CA -0.434 57.691 58.100 0.042 0.000 1.079 219 Y CB 2.263 40.748 38.460 0.040 0.000 1.226 219 Y HN 0.168 nan 8.280 nan 0.000 0.460 220 S N 0.121 115.940 115.700 0.199 0.000 2.656 220 S HA 0.808 5.278 4.470 0.000 0.000 0.273 220 S C 0.036 174.708 174.600 0.120 0.000 1.168 220 S CA -0.392 57.884 58.200 0.126 0.000 0.817 220 S CB 1.249 64.497 63.200 0.080 0.000 1.146 220 S HN 1.549 nan 8.310 nan 0.000 0.475 221 G N 1.515 110.366 108.800 0.084 0.000 2.614 221 G HA2 -0.254 3.706 3.960 0.000 0.000 0.303 221 G HA3 -0.254 3.706 3.960 0.000 0.000 0.303 221 G C -0.317 174.627 174.900 0.073 0.000 1.270 221 G CA 0.761 45.903 45.100 0.070 0.000 0.988 221 G HN 1.199 nan 8.290 nan 0.000 0.551 222 D N 1.193 121.635 120.400 0.070 0.000 2.517 222 D HA 0.400 5.040 4.640 0.000 0.000 0.220 222 D C 1.199 177.553 176.300 0.090 0.000 1.158 222 D CA 0.067 54.105 54.000 0.063 0.000 0.992 222 D CB -0.616 40.213 40.800 0.049 0.000 1.058 222 D HN 0.709 nan 8.370 nan 0.000 0.516 223 R N 1.950 122.513 120.500 0.104 0.000 3.225 223 R HA -0.204 4.136 4.340 0.000 0.000 0.245 223 R C -0.664 175.842 176.300 0.343 0.000 0.928 223 R CA 0.490 56.695 56.100 0.175 0.000 0.632 223 R CB -0.755 29.555 30.300 0.016 0.000 1.038 223 R HN 0.413 nan 8.270 nan 0.000 0.461 224 Q N 1.277 121.252 119.800 0.291 0.000 2.349 224 Q HA 0.159 4.499 4.340 0.000 0.000 0.254 224 Q C -0.226 175.829 176.000 0.092 0.000 0.980 224 Q CA -0.571 55.339 55.803 0.178 0.000 0.924 224 Q CB 1.371 30.171 28.738 0.104 0.000 1.209 224 Q HN 0.288 nan 8.270 nan 0.000 0.445 225 L N 3.389 124.591 121.223 -0.036 0.000 2.331 225 L HA 0.144 4.484 4.340 0.000 0.000 0.278 225 L C 0.379 177.143 176.870 -0.177 0.000 1.106 225 L CA -0.023 54.591 54.840 -0.377 0.000 0.824 225 L CB 0.617 42.493 42.059 -0.305 0.000 1.142 225 L HN 0.526 nan 8.230 nan 0.000 0.443 226 E N 3.694 123.786 120.200 -0.181 0.000 2.360 226 E HA 0.089 4.439 4.350 0.000 0.000 0.269 226 E C -0.641 175.940 176.600 -0.031 0.000 1.022 226 E CA -0.572 55.791 56.400 -0.061 0.000 0.887 226 E CB 0.297 29.987 29.700 -0.017 0.000 0.990 226 E HN 0.549 nan 8.360 nan 0.000 0.426 227 N N 3.851 122.538 118.700 -0.022 0.000 2.492 227 N HA 0.037 4.777 4.740 0.000 0.000 0.260 227 N C -1.611 173.896 175.510 -0.005 0.000 1.215 227 N CA -1.196 51.838 53.050 -0.026 0.000 0.923 227 N CB 0.779 39.234 38.487 -0.053 0.000 1.092 227 N HN 0.539 nan 8.380 nan 0.000 0.448 228 P HA 0.183 nan 4.420 nan 0.000 0.254 228 P C -0.084 177.215 177.300 -0.001 0.000 1.494 228 P CA 0.085 63.174 63.100 -0.019 0.000 0.961 228 P CB 0.266 31.937 31.700 -0.050 0.000 1.493 229 L N 0.210 121.446 121.223 0.023 0.000 2.417 229 L HA 0.437 4.777 4.340 0.000 0.000 0.268 229 L C 1.179 178.064 176.870 0.025 0.000 1.158 229 L CA -0.345 54.507 54.840 0.020 0.000 0.819 229 L CB 0.648 42.696 42.059 -0.018 0.000 1.112 229 L HN -0.050 nan 8.230 nan 0.000 0.458 230 A N 1.822 124.684 122.820 0.071 0.000 2.630 230 A HA 0.690 5.010 4.320 0.000 0.000 0.287 230 A C 0.093 177.779 177.584 0.169 0.000 1.040 230 A CA 0.184 52.289 52.037 0.115 0.000 0.971 230 A CB 0.408 19.480 19.000 0.120 0.000 1.241 230 A HN 0.688 nan 8.150 nan 0.000 0.558 231 A N -0.545 122.340 122.820 0.107 0.000 2.454 231 A HA 0.624 4.944 4.320 0.000 0.000 0.302 231 A C 0.886 178.524 177.584 0.090 0.000 1.079 231 A CA 0.203 52.300 52.037 0.099 0.000 0.731 231 A CB 0.925 19.916 19.000 -0.016 0.000 1.299 231 A HN 1.157 nan 8.150 nan 0.000 0.413 232 V N -1.610 118.403 119.914 0.164 0.000 2.951 232 V HA 0.190 4.310 4.120 0.000 0.000 0.255 232 V C 0.378 176.613 176.094 0.235 0.000 1.088 232 V CA 1.341 63.818 62.300 0.294 0.000 1.109 232 V CB -1.020 30.979 31.823 0.293 0.000 0.724 232 V HN 0.729 nan 8.190 nan 0.000 0.471 233 Q N -0.182 119.664 119.800 0.076 0.000 2.377 233 Q HA 0.551 4.892 4.340 0.000 0.000 0.279 233 Q C -1.110 174.822 176.000 -0.114 0.000 1.049 233 Q CA -0.960 54.853 55.803 0.017 0.000 0.825 233 Q CB 2.355 31.110 28.738 0.029 0.000 1.401 233 Q HN 0.327 nan 8.270 nan 0.000 0.404 234 M N 1.312 120.838 119.600 -0.122 0.000 2.303 234 M HA 0.309 4.789 4.480 0.000 0.000 0.350 234 M C 0.798 176.945 176.300 -0.254 0.000 1.518 234 M CA 1.813 56.980 55.300 -0.222 0.000 1.070 234 M CB -0.492 31.988 32.600 -0.199 0.000 1.910 234 M HN 0.850 nan 8.290 nan 0.000 0.458 235 G N 3.886 112.205 108.800 -0.803 0.000 2.175 235 G HA2 -0.170 3.790 3.960 0.000 0.000 0.244 235 G HA3 -0.170 3.790 3.960 0.000 0.000 0.244 235 G C -0.223 174.163 174.900 -0.856 0.000 0.982 235 G CA 0.114 44.508 45.100 -1.177 0.000 0.641 235 G HN 0.699 nan 8.290 nan 0.000 0.527 236 L N 1.014 121.847 121.223 -0.650 0.000 2.360 236 L HA 0.468 4.808 4.340 0.000 0.000 0.271 236 L C 1.880 178.530 176.870 -0.367 0.000 1.057 236 L CA -1.443 53.186 54.840 -0.351 0.000 0.803 236 L CB 0.808 42.782 42.059 -0.142 0.000 1.207 236 L HN -0.148 nan 8.230 nan 0.000 0.445 237 I N 0.522 120.908 120.570 -0.307 0.000 2.133 237 I HA -0.205 3.965 4.170 0.000 0.000 0.238 237 I C 1.350 177.120 176.117 -0.578 0.000 1.074 237 I CA 2.208 63.181 61.300 -0.545 0.000 1.342 237 I CB -0.639 36.772 38.000 -0.982 0.000 1.053 237 I HN 0.650 nan 8.210 nan 0.000 0.404 238 Y N -0.506 119.813 120.300 0.032 0.000 3.183 238 Y HA 0.276 4.826 4.550 0.000 0.000 0.200 238 Y C 0.656 176.651 175.900 0.159 0.000 0.912 238 Y CA -0.331 57.839 58.100 0.117 0.000 1.642 238 Y CB 0.066 38.657 38.460 0.219 0.000 1.447 238 Y HN -0.117 nan 8.280 nan 0.000 0.421 239 V N -1.172 118.980 119.914 0.397 0.000 3.126 239 V HA 0.520 4.640 4.120 0.000 0.000 0.314 239 V C -0.860 175.373 176.094 0.233 0.000 1.138 239 V CA -1.203 61.276 62.300 0.298 0.000 1.034 239 V CB 1.802 33.815 31.823 0.317 0.000 1.075 239 V HN 0.296 nan 8.190 nan 0.000 0.442 240 N N 2.880 121.693 118.700 0.188 0.000 2.430 240 N HA 0.380 5.120 4.740 0.000 0.000 0.265 240 N C -1.561 174.063 175.510 0.189 0.000 1.100 240 N CA -1.882 51.264 53.050 0.160 0.000 0.961 240 N CB 1.666 40.229 38.487 0.127 0.000 1.075 240 N HN 0.624 nan 8.380 nan 0.000 0.478 241 P HA -0.034 nan 4.420 nan 0.000 0.229 241 P C 0.291 177.721 177.300 0.216 0.000 1.160 241 P CA 1.033 64.270 63.100 0.229 0.000 0.777 241 P CB 0.515 32.359 31.700 0.239 0.000 0.814 242 E N -0.234 120.081 120.200 0.192 0.000 2.230 242 E HA 0.230 4.581 4.350 0.000 0.000 0.192 242 E C 1.010 177.729 176.600 0.199 0.000 0.987 242 E CA 0.519 57.046 56.400 0.212 0.000 0.841 242 E CB -0.058 29.767 29.700 0.208 0.000 0.783 242 E HN 0.256 nan 8.360 nan 0.000 0.481 243 G N 1.109 110.010 108.800 0.167 0.000 2.355 243 G HA2 -0.093 3.867 3.960 0.000 0.000 0.619 243 G HA3 -0.093 3.867 3.960 0.000 0.000 0.619 243 G C -3.087 171.874 174.900 0.102 0.000 1.337 243 G CA -1.316 43.865 45.100 0.135 0.000 0.993 243 G HN -0.213 nan 8.290 nan 0.000 0.599 244 P HA 0.271 nan 4.420 nan 0.000 0.261 244 P C -0.213 177.098 177.300 0.018 0.000 1.203 244 P CA 0.644 63.764 63.100 0.034 0.000 0.767 244 P CB 0.276 31.976 31.700 0.001 0.000 0.785 245 D N 3.448 123.860 120.400 0.020 0.000 2.737 245 D HA -0.211 4.429 4.640 0.000 0.000 0.233 245 D C 1.159 177.491 176.300 0.053 0.000 1.155 245 D CA 1.885 55.901 54.000 0.026 0.000 0.667 245 D CB -1.523 39.273 40.800 -0.005 0.000 1.060 245 D HN 0.809 nan 8.370 nan 0.000 0.427 246 G N 0.583 109.432 108.800 0.082 0.000 2.159 246 G HA2 -0.361 3.599 3.960 0.000 0.000 0.256 246 G HA3 -0.361 3.599 3.960 0.000 0.000 0.256 246 G C 0.092 175.068 174.900 0.127 0.000 0.977 246 G CA 0.336 45.512 45.100 0.127 0.000 0.652 246 G HN 0.640 nan 8.290 nan 0.000 0.531 247 N N 1.153 119.890 118.700 0.062 0.000 2.420 247 N HA 0.364 5.104 4.740 0.000 0.000 0.249 247 N C -2.287 173.223 175.510 -0.000 0.000 1.033 247 N CA -1.590 51.463 53.050 0.005 0.000 0.944 247 N CB 1.320 39.809 38.487 0.004 0.000 1.113 247 N HN 0.054 nan 8.380 nan 0.000 0.502 248 P HA 0.092 nan 4.420 nan 0.000 0.226 248 P C -1.187 176.223 177.300 0.182 0.000 1.783 248 P CA 0.031 63.151 63.100 0.034 0.000 0.980 248 P CB -0.263 31.306 31.700 -0.218 0.000 1.967 249 D N 2.023 122.495 120.400 0.120 0.000 2.441 249 D HA 0.236 4.876 4.640 0.000 0.000 0.231 249 D C -1.715 174.624 176.300 0.066 0.000 1.073 249 D CA -2.651 51.401 54.000 0.087 0.000 0.850 249 D CB 1.550 42.373 40.800 0.039 0.000 1.062 249 D HN -0.064 nan 8.370 nan 0.000 0.524 250 P HA -0.148 nan 4.420 nan 0.000 0.216 250 P C 1.560 178.897 177.300 0.062 0.000 1.150 250 P CA 0.532 63.637 63.100 0.009 0.000 0.837 250 P CB 0.443 32.097 31.700 -0.077 0.000 0.786 251 V N 0.315 120.255 119.914 0.043 0.000 2.261 251 V HA -0.246 3.874 4.120 0.000 0.000 0.246 251 V C 2.521 178.643 176.094 0.048 0.000 1.047 251 V CA 2.336 64.669 62.300 0.054 0.000 1.015 251 V CB -1.760 30.082 31.823 0.031 0.000 0.642 251 V HN 0.101 nan 8.190 nan 0.000 0.446 252 A N -0.064 122.780 122.820 0.039 0.000 1.933 252 A HA -0.102 4.218 4.320 0.000 0.000 0.218 252 A C 2.420 180.041 177.584 0.062 0.000 1.175 252 A CA 2.020 54.081 52.037 0.039 0.000 0.628 252 A CB -0.785 18.230 19.000 0.025 0.000 0.814 252 A HN 0.580 nan 8.150 nan 0.000 0.444 253 A N 0.012 122.880 122.820 0.079 0.000 1.908 253 A HA 0.100 4.420 4.320 0.000 0.000 0.218 253 A C 2.492 180.157 177.584 0.135 0.000 1.181 253 A CA 2.161 54.263 52.037 0.108 0.000 0.627 253 A CB -1.031 18.038 19.000 0.114 0.000 0.818 253 A HN 1.124 nan 8.150 nan 0.000 0.445 254 A N -0.283 122.621 122.820 0.140 0.000 1.978 254 A HA -0.198 4.122 4.320 0.000 0.000 0.220 254 A C 2.232 179.902 177.584 0.144 0.000 1.170 254 A CA 1.802 53.963 52.037 0.206 0.000 0.636 254 A CB -0.530 18.573 19.000 0.172 0.000 0.810 254 A HN 0.613 nan 8.150 nan 0.000 0.448 255 R N -0.308 120.244 120.500 0.086 0.000 2.073 255 R HA -0.184 4.156 4.340 0.000 0.000 0.234 255 R C 1.376 177.749 176.300 0.122 0.000 1.134 255 R CA 1.999 58.141 56.100 0.070 0.000 0.952 255 R CB -0.428 29.903 30.300 0.051 0.000 0.850 255 R HN 0.400 nan 8.270 nan 0.000 0.433 256 D N 0.425 120.912 120.400 0.144 0.000 2.144 256 D HA -0.125 4.516 4.640 0.000 0.000 0.199 256 D C 1.934 178.380 176.300 0.244 0.000 0.984 256 D CA 1.238 55.355 54.000 0.195 0.000 0.834 256 D CB -0.103 40.809 40.800 0.186 0.000 0.955 256 D HN 0.341 nan 8.370 nan 0.000 0.465 257 I N 0.344 121.056 120.570 0.237 0.000 2.202 257 I HA -0.226 3.944 4.170 0.000 0.000 0.242 257 I C 2.572 178.855 176.117 0.278 0.000 1.091 257 I CA 0.875 62.328 61.300 0.256 0.000 1.368 257 I CB -0.170 37.905 38.000 0.126 0.000 1.058 257 I HN -0.080 nan 8.210 nan 0.000 0.410 258 R N 0.912 121.566 120.500 0.257 0.000 2.081 258 R HA -0.247 4.093 4.340 0.000 0.000 0.235 258 R C 2.040 178.460 176.300 0.200 0.000 1.131 258 R CA 2.263 58.496 56.100 0.221 0.000 0.960 258 R CB -0.281 30.066 30.300 0.079 0.000 0.856 258 R HN 0.293 nan 8.270 nan 0.000 0.436 259 D N -0.541 119.971 120.400 0.187 0.000 2.084 259 D HA -0.137 4.503 4.640 0.000 0.000 0.196 259 D C 1.836 178.252 176.300 0.193 0.000 0.985 259 D CA 2.315 56.418 54.000 0.172 0.000 0.826 259 D CB -0.213 40.692 40.800 0.175 0.000 0.978 259 D HN 0.412 nan 8.370 nan 0.000 0.456 260 T N -2.107 112.592 114.554 0.242 0.000 2.777 260 T HA -0.122 4.228 4.350 0.000 0.000 0.266 260 T C 2.116 176.900 174.700 0.140 0.000 1.040 260 T CA 0.796 63.037 62.100 0.236 0.000 1.141 260 T CB -0.944 68.124 68.868 0.334 0.000 0.868 260 T HN 0.059 nan 8.240 nan 0.000 0.444 261 F N 2.327 122.250 119.950 -0.045 0.000 2.186 261 F HA 0.241 4.769 4.527 0.000 0.000 0.299 261 F C 2.926 178.727 175.800 0.002 0.000 1.090 261 F CA 0.559 58.474 58.000 -0.143 0.000 1.307 261 F CB -0.864 38.034 39.000 -0.169 0.000 1.019 261 F HN 0.263 nan 8.300 nan 0.000 0.489 262 A N 0.068 123.012 122.820 0.207 0.000 1.933 262 A HA -0.196 4.124 4.320 0.000 0.000 0.218 262 A C 2.197 179.853 177.584 0.119 0.000 1.175 262 A CA 1.483 53.611 52.037 0.151 0.000 0.628 262 A CB -0.626 18.453 19.000 0.132 0.000 0.814 262 A HN 0.332 nan 8.150 nan 0.000 0.444 263 R N -0.971 119.595 120.500 0.110 0.000 2.316 263 R HA 0.151 4.492 4.340 0.000 0.000 0.202 263 R C 0.814 177.158 176.300 0.072 0.000 1.029 263 R CA 0.745 56.892 56.100 0.077 0.000 1.018 263 R CB -0.112 30.234 30.300 0.077 0.000 0.888 263 R HN 0.512 nan 8.270 nan 0.000 0.471 264 M N -0.513 119.157 119.600 0.117 0.000 2.576 264 M HA 0.289 4.769 4.480 0.000 0.000 0.322 264 M C 0.225 176.671 176.300 0.244 0.000 1.184 264 M CA -0.160 55.269 55.300 0.215 0.000 0.967 264 M CB 1.211 33.952 32.600 0.234 0.000 1.372 264 M HN 0.125 nan 8.290 nan 0.000 0.509 265 A N 0.601 123.530 122.820 0.182 0.000 2.905 265 A HA -0.150 4.170 4.320 0.000 0.000 0.260 265 A C 0.011 177.657 177.584 0.103 0.000 1.398 265 A CA 0.876 53.004 52.037 0.152 0.000 0.840 265 A CB -1.488 17.621 19.000 0.182 0.000 1.059 265 A HN 0.492 nan 8.150 nan 0.000 0.647 266 M N 0.802 120.481 119.600 0.132 0.000 2.294 266 M HA 0.399 4.879 4.480 0.000 0.000 0.335 266 M C 0.417 176.818 176.300 0.169 0.000 1.079 266 M CA -0.779 54.613 55.300 0.153 0.000 0.982 266 M CB 1.338 34.085 32.600 0.246 0.000 1.651 266 M HN 0.684 nan 8.290 nan 0.000 0.437 267 N N 1.255 120.041 118.700 0.142 0.000 2.418 267 N HA 0.207 4.947 4.740 0.000 0.000 0.283 267 N C 0.139 175.739 175.510 0.149 0.000 1.267 267 N CA -0.241 52.890 53.050 0.136 0.000 0.975 267 N CB 0.419 38.976 38.487 0.117 0.000 1.167 267 N HN 0.364 nan 8.380 nan 0.000 0.581 268 D N -0.577 119.916 120.400 0.155 0.000 2.104 268 D HA -0.192 4.448 4.640 0.000 0.000 0.194 268 D C 1.393 177.788 176.300 0.159 0.000 0.994 268 D CA 1.433 55.570 54.000 0.229 0.000 0.830 268 D CB -0.250 40.665 40.800 0.191 0.000 0.959 268 D HN 0.824 nan 8.370 nan 0.000 0.452 269 E N 0.589 120.866 120.200 0.129 0.000 2.077 269 E HA -0.210 4.140 4.350 0.000 0.000 0.193 269 E C 1.732 178.477 176.600 0.242 0.000 0.989 269 E CA 1.061 57.553 56.400 0.154 0.000 0.800 269 E CB 0.093 29.890 29.700 0.161 0.000 0.746 269 E HN 0.321 nan 8.360 nan 0.000 0.452 270 E N -0.362 119.948 120.200 0.184 0.000 2.077 270 E HA -0.146 4.204 4.350 0.000 0.000 0.193 270 E C 2.155 178.821 176.600 0.110 0.000 0.989 270 E CA 1.697 58.202 56.400 0.175 0.000 0.800 270 E CB -0.055 29.730 29.700 0.142 0.000 0.746 270 E HN 0.250 nan 8.360 nan 0.000 0.452 271 T N 0.866 115.423 114.554 0.004 0.000 2.708 271 T HA -0.137 4.214 4.350 0.000 0.000 0.266 271 T C 2.130 176.585 174.700 -0.408 0.000 1.037 271 T CA 1.196 63.107 62.100 -0.315 0.000 1.146 271 T CB -0.264 68.335 68.868 -0.449 0.000 0.865 271 T HN -0.031 nan 8.240 nan 0.000 0.435 272 V N 1.823 121.581 119.914 -0.260 0.000 2.295 272 V HA -0.192 3.928 4.120 0.000 0.000 0.246 272 V C 2.918 179.066 176.094 0.090 0.000 1.049 272 V CA 1.755 63.955 62.300 -0.167 0.000 1.024 272 V CB -1.299 30.509 31.823 -0.025 0.000 0.648 272 V HN 0.540 nan 8.190 nan 0.000 0.447 273 A N -0.303 122.730 122.820 0.354 0.000 1.908 273 A HA -0.193 4.128 4.320 0.000 0.000 0.218 273 A C 2.239 179.880 177.584 0.094 0.000 1.181 273 A CA 2.033 54.305 52.037 0.392 0.000 0.627 273 A CB -0.568 18.671 19.000 0.398 0.000 0.818 273 A HN 0.502 nan 8.150 nan 0.000 0.445 274 L N -0.775 120.468 121.223 0.033 0.000 2.027 274 L HA -0.158 4.182 4.340 0.000 0.000 0.206 274 L C 2.542 179.128 176.870 -0.473 0.000 1.074 274 L CA 1.340 56.141 54.840 -0.065 0.000 0.745 274 L CB -0.473 41.596 42.059 0.017 0.000 0.898 274 L HN 0.380 nan 8.230 nan 0.000 0.433 275 I N -0.244 119.971 120.570 -0.591 0.000 2.179 275 I HA -0.282 3.888 4.170 0.000 0.000 0.242 275 I C 2.765 178.199 176.117 -1.138 0.000 1.088 275 I CA 1.296 62.077 61.300 -0.866 0.000 1.357 275 I CB -0.467 37.079 38.000 -0.756 0.000 1.051 275 I HN 0.198 nan 8.210 nan 0.000 0.409 276 A N 0.819 123.009 122.820 -1.050 0.000 1.930 276 A HA -0.067 4.253 4.320 0.000 0.000 0.217 276 A C 2.418 179.380 177.584 -1.037 0.000 1.175 276 A CA 1.684 52.766 52.037 -1.591 0.000 0.627 276 A CB -1.366 16.806 19.000 -1.380 0.000 0.815 276 A HN 0.463 nan 8.150 nan 0.000 0.443 277 G N -0.322 107.974 108.800 -0.839 0.000 2.446 277 G HA2 -0.006 3.954 3.960 0.000 0.000 0.217 277 G HA3 -0.006 3.954 3.960 0.000 0.000 0.217 277 G C 1.561 175.842 174.900 -1.033 0.000 1.168 277 G CA 1.296 45.495 45.100 -1.502 0.000 0.771 277 G HN 0.686 nan 8.290 nan 0.000 0.551 278 G N -0.169 108.133 108.800 -0.830 0.000 2.446 278 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 278 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 278 G C 1.432 176.164 174.900 -0.280 0.000 1.168 278 G CA 0.873 45.765 45.100 -0.347 0.000 0.771 278 G HN 0.663 nan 8.290 nan 0.000 0.551 279 H N -0.102 118.431 119.070 -0.894 0.000 2.547 279 H HA 0.116 4.672 4.556 0.000 0.000 0.274 279 H C 2.032 176.863 175.328 -0.828 0.000 1.024 279 H CA 0.155 55.377 56.048 -1.376 0.000 1.155 279 H CB 0.352 28.911 29.762 -2.005 0.000 1.344 279 H HN 0.247 nan 8.280 nan 0.000 0.598 280 T N 0.356 114.549 114.554 -0.601 0.000 2.995 280 T HA -0.050 4.300 4.350 0.000 0.000 0.269 280 T C 0.108 174.397 174.700 -0.685 0.000 1.091 280 T CA 0.899 62.591 62.100 -0.679 0.000 1.128 280 T CB -0.012 68.272 68.868 -0.975 0.000 0.891 280 T HN 0.090 nan 8.240 nan 0.000 0.492 281 F N 0.015 119.930 119.950 -0.059 0.000 2.522 281 F HA 0.590 5.117 4.527 0.000 0.000 0.324 281 F C 1.275 177.192 175.800 0.196 0.000 1.077 281 F CA -0.641 57.375 58.000 0.027 0.000 0.944 281 F CB 1.141 40.142 39.000 0.002 0.000 1.175 281 F HN 0.219 nan 8.300 nan 0.000 0.468 282 G N 2.235 111.246 108.800 0.353 0.000 2.552 282 G HA2 -0.125 3.836 3.960 0.000 0.000 0.265 282 G HA3 -0.125 3.836 3.960 0.000 0.000 0.265 282 G C -0.965 174.191 174.900 0.427 0.000 1.234 282 G CA 0.174 45.513 45.100 0.398 0.000 0.944 282 G HN 1.069 nan 8.290 nan 0.000 0.568 283 K N -1.884 118.720 120.400 0.340 0.000 2.578 283 K HA 0.708 5.028 4.320 0.000 0.000 0.287 283 K C -0.146 176.338 176.600 -0.193 0.000 1.010 283 K CA -0.228 56.005 56.287 -0.091 0.000 0.889 283 K CB 1.205 33.632 32.500 -0.122 0.000 1.514 283 K HN 1.329 nan 8.250 nan 0.000 0.424 284 T N -1.336 112.944 114.554 -0.457 0.000 2.862 284 T HA 0.435 4.785 4.350 0.000 0.000 0.276 284 T C -0.672 173.668 174.700 -0.600 0.000 0.974 284 T CA -0.399 61.528 62.100 -0.288 0.000 0.966 284 T CB 0.503 69.255 68.868 -0.193 0.000 1.072 284 T HN 0.653 nan 8.240 nan 0.000 0.538 285 H N -0.966 118.092 119.070 -0.019 0.000 2.906 285 H HA 0.604 5.160 4.556 0.000 0.000 0.324 285 H C 0.348 175.652 175.328 -0.039 0.000 0.973 285 H CA -0.645 55.394 56.048 -0.015 0.000 1.321 285 H CB 1.424 31.217 29.762 0.051 0.000 1.535 285 H HN 1.035 nan 8.280 nan 0.000 0.518 286 G N 1.254 110.042 108.800 -0.019 0.000 4.876 286 G HA2 0.392 4.353 3.960 0.000 0.000 0.219 286 G HA3 0.392 4.353 3.960 0.000 0.000 0.219 286 G C 0.838 175.661 174.900 -0.129 0.000 0.877 286 G CA 0.113 45.172 45.100 -0.069 0.000 0.718 286 G HN 0.700 nan 8.290 nan 0.000 0.518 287 A N -0.353 122.394 122.820 -0.122 0.000 2.119 287 A HA 0.608 4.928 4.320 0.000 0.000 0.217 287 A C 1.376 178.695 177.584 -0.442 0.000 1.153 287 A CA 1.333 53.282 52.037 -0.147 0.000 0.692 287 A CB 0.117 19.136 19.000 0.031 0.000 0.799 287 A HN 1.261 nan 8.150 nan 0.000 0.458 288 G N -2.110 106.298 108.800 -0.653 0.000 2.645 288 G HA2 0.513 4.473 3.960 0.000 0.000 0.292 288 G HA3 0.513 4.473 3.960 0.000 0.000 0.292 288 G C -3.539 171.072 174.900 -0.483 0.000 1.415 288 G CA -1.222 43.276 45.100 -1.002 0.000 0.785 288 G HN -0.104 nan 8.290 nan 0.000 0.483 289 P HA 0.263 nan 4.420 nan 0.000 0.266 289 P C 0.807 178.043 177.300 -0.106 0.000 1.195 289 P CA 0.475 63.477 63.100 -0.163 0.000 0.768 289 P CB 1.245 32.888 31.700 -0.095 0.000 0.838 290 A N 3.066 125.847 122.820 -0.066 0.000 2.019 290 A HA -0.167 4.153 4.320 0.000 0.000 0.219 290 A C 2.100 179.690 177.584 0.011 0.000 1.164 290 A CA 1.950 53.972 52.037 -0.023 0.000 0.644 290 A CB -1.569 17.421 19.000 -0.018 0.000 0.805 290 A HN 0.603 nan 8.150 nan 0.000 0.449 291 S N 0.635 116.339 115.700 0.006 0.000 2.440 291 S HA -0.189 4.282 4.470 0.000 0.000 0.238 291 S C 1.509 176.135 174.600 0.044 0.000 1.010 291 S CA 1.248 59.462 58.200 0.025 0.000 0.972 291 S CB -0.740 62.470 63.200 0.016 0.000 0.774 291 S HN 0.635 nan 8.310 nan 0.000 0.501 292 N N 1.193 119.924 118.700 0.052 0.000 2.453 292 N HA 0.021 4.761 4.740 0.000 0.000 0.183 292 N C -0.076 175.496 175.510 0.102 0.000 1.041 292 N CA 0.571 53.676 53.050 0.091 0.000 0.900 292 N CB -0.144 38.427 38.487 0.140 0.000 0.961 292 N HN 0.327 nan 8.380 nan 0.000 0.443 293 V N 1.234 121.207 119.914 0.099 0.000 2.406 293 V HA 0.330 4.450 4.120 0.000 0.000 0.272 293 V C 1.155 177.323 176.094 0.123 0.000 1.043 293 V CA -0.682 61.701 62.300 0.138 0.000 0.915 293 V CB 0.998 32.919 31.823 0.163 0.000 0.988 293 V HN 0.091 nan 8.190 nan 0.000 0.466 294 G N 3.259 112.123 108.800 0.107 0.000 2.494 294 G HA2 0.540 4.500 3.960 0.000 0.000 0.270 294 G HA3 0.540 4.500 3.960 0.000 0.000 0.270 294 G C 0.251 175.141 174.900 -0.017 0.000 1.423 294 G CA -0.137 44.988 45.100 0.042 0.000 1.055 294 G HN 1.075 nan 8.290 nan 0.000 0.536 295 A N 0.015 122.778 122.820 -0.096 0.000 2.511 295 A HA 0.394 4.714 4.320 0.000 0.000 0.242 295 A C 0.987 178.286 177.584 -0.475 0.000 1.069 295 A CA -0.091 51.828 52.037 -0.196 0.000 0.763 295 A CB -0.034 18.873 19.000 -0.154 0.000 1.001 295 A HN 0.736 nan 8.150 nan 0.000 0.498 296 E N 3.047 122.857 120.200 -0.651 0.000 2.438 296 E HA 0.012 4.362 4.350 0.000 0.000 0.261 296 E C -2.122 173.968 176.600 -0.851 0.000 1.103 296 E CA -0.970 54.693 56.400 -1.228 0.000 0.959 296 E CB -0.316 28.930 29.700 -0.757 0.000 0.958 296 E HN 0.348 nan 8.360 nan 0.000 0.447 297 P HA -0.180 nan 4.420 nan 0.000 0.216 297 P C 0.999 178.104 177.300 -0.324 0.000 1.153 297 P CA 1.429 64.204 63.100 -0.542 0.000 0.858 297 P CB 0.175 31.591 31.700 -0.473 0.000 0.789 298 E N -1.039 119.002 120.200 -0.266 0.000 2.338 298 E HA -0.041 4.310 4.350 0.000 0.000 0.197 298 E C 1.761 178.293 176.600 -0.114 0.000 1.007 298 E CA 1.038 57.354 56.400 -0.140 0.000 0.849 298 E CB -0.411 29.250 29.700 -0.065 0.000 0.774 298 E HN 0.227 nan 8.360 nan 0.000 0.506 299 A N 0.609 123.339 122.820 -0.150 0.000 2.252 299 A HA 0.415 4.735 4.320 0.000 0.000 0.213 299 A C 1.304 178.812 177.584 -0.127 0.000 1.188 299 A CA 0.418 52.389 52.037 -0.109 0.000 0.863 299 A CB 0.175 19.122 19.000 -0.088 0.000 0.893 299 A HN 0.154 nan 8.150 nan 0.000 0.495 300 A N 0.083 122.796 122.820 -0.177 0.000 2.346 300 A HA 0.520 4.840 4.320 0.000 0.000 0.252 300 A C 1.004 178.520 177.584 -0.113 0.000 1.089 300 A CA 0.191 52.133 52.037 -0.159 0.000 0.797 300 A CB -0.479 18.396 19.000 -0.209 0.000 1.047 300 A HN 0.870 nan 8.150 nan 0.000 0.494 301 G N -0.842 107.903 108.800 -0.091 0.000 2.554 301 G HA2 0.324 4.284 3.960 0.000 0.000 0.238 301 G HA3 0.324 4.284 3.960 0.000 0.000 0.238 301 G C 0.872 175.726 174.900 -0.077 0.000 1.259 301 G CA 0.037 45.094 45.100 -0.071 0.000 0.843 301 G HN 0.845 nan 8.290 nan 0.000 0.582 302 I N 0.347 120.879 120.570 -0.064 0.000 2.335 302 I HA -0.184 3.986 4.170 0.000 0.000 0.251 302 I C 2.805 178.880 176.117 -0.070 0.000 1.129 302 I CA 1.780 63.040 61.300 -0.066 0.000 1.402 302 I CB 0.053 38.022 38.000 -0.052 0.000 1.069 302 I HN 0.762 nan 8.210 nan 0.000 0.424 303 E N 1.328 121.491 120.200 -0.062 0.000 2.338 303 E HA -0.191 4.159 4.350 0.000 0.000 0.197 303 E C 1.839 178.394 176.600 -0.076 0.000 1.007 303 E CA 1.216 57.579 56.400 -0.060 0.000 0.849 303 E CB -0.436 29.237 29.700 -0.045 0.000 0.774 303 E HN 0.540 nan 8.360 nan 0.000 0.506 304 A N 0.923 123.691 122.820 -0.087 0.000 2.119 304 A HA -0.102 4.218 4.320 0.000 0.000 0.217 304 A C 0.845 178.350 177.584 -0.132 0.000 1.153 304 A CA 0.592 52.566 52.037 -0.105 0.000 0.692 304 A CB -0.204 18.727 19.000 -0.115 0.000 0.799 304 A HN 0.194 nan 8.150 nan 0.000 0.458 305 Q N -2.337 117.386 119.800 -0.128 0.000 2.452 305 Q HA -0.245 4.095 4.340 0.000 0.000 0.318 305 Q C 0.905 176.801 176.000 -0.172 0.000 1.386 305 Q CA 1.199 56.916 55.803 -0.144 0.000 0.872 305 Q CB -2.345 26.305 28.738 -0.146 0.000 1.151 305 Q HN 1.755 nan 8.270 nan 0.000 0.417 306 G N -1.411 107.288 108.800 -0.169 0.000 2.176 306 G HA2 -0.306 3.655 3.960 0.000 0.000 0.253 306 G HA3 -0.306 3.655 3.960 0.000 0.000 0.253 306 G C 0.247 175.025 174.900 -0.205 0.000 0.979 306 G CA 0.403 45.390 45.100 -0.189 0.000 0.641 306 G HN 0.332 nan 8.290 nan 0.000 0.530 307 L N -0.133 120.974 121.223 -0.194 0.000 2.400 307 L HA 0.820 5.160 4.340 0.000 0.000 0.264 307 L C 1.049 177.786 176.870 -0.220 0.000 1.061 307 L CA -0.302 54.430 54.840 -0.181 0.000 0.799 307 L CB 1.551 43.517 42.059 -0.154 0.000 1.240 307 L HN 0.320 nan 8.230 nan 0.000 0.461 308 G N -2.305 106.361 108.800 -0.222 0.000 2.749 308 G HA2 0.371 4.331 3.960 0.000 0.000 0.300 308 G HA3 0.371 4.331 3.960 0.000 0.000 0.300 308 G C -1.444 173.403 174.900 -0.089 0.000 1.352 308 G CA -0.518 44.354 45.100 -0.380 0.000 0.789 308 G HN 0.694 nan 8.290 nan 0.000 0.509 309 W N 0.085 121.336 121.300 -0.081 0.000 5.538 309 W HA -0.168 4.493 4.660 0.001 0.000 0.377 309 W C 0.716 177.230 176.519 -0.008 0.000 1.406 309 W CA 0.847 58.161 57.345 -0.052 0.000 0.940 309 W CB -1.111 28.305 29.460 -0.074 0.000 2.536 309 W HN 0.601 nan 8.180 nan 0.000 1.504 310 K N 1.624 122.099 120.400 0.126 0.000 2.447 310 K HA 0.194 4.515 4.320 0.000 0.000 0.281 310 K C 0.551 177.237 176.600 0.144 0.000 1.031 310 K CA 0.471 56.831 56.287 0.122 0.000 1.019 310 K CB 0.651 33.184 32.500 0.055 0.000 0.918 310 K HN -0.016 nan 8.250 nan 0.000 0.476 311 S N 3.154 118.958 115.700 0.175 0.000 2.449 311 S HA 0.441 4.911 4.470 0.000 0.000 0.310 311 S C 0.512 175.197 174.600 0.140 0.000 1.096 311 S CA -0.458 57.845 58.200 0.172 0.000 1.095 311 S CB 1.535 64.864 63.200 0.215 0.000 1.007 311 S HN 0.678 nan 8.310 nan 0.000 0.474 312 A N 4.355 127.250 122.820 0.125 0.000 2.235 312 A HA 0.161 4.481 4.320 0.000 0.000 0.208 312 A C 0.371 178.021 177.584 0.109 0.000 1.172 312 A CA 0.185 52.279 52.037 0.095 0.000 0.786 312 A CB -0.467 18.580 19.000 0.077 0.000 0.804 312 A HN 0.870 nan 8.150 nan 0.000 0.479 313 Y N 2.271 122.587 120.300 0.027 0.000 2.637 313 Y HA 0.283 4.833 4.550 0.000 0.000 0.350 313 Y C 1.062 176.958 175.900 -0.006 0.000 1.069 313 Y CA -0.278 57.828 58.100 0.009 0.000 1.397 313 Y CB -0.406 38.060 38.460 0.010 0.000 1.163 313 Y HN 0.537 nan 8.280 nan 0.000 0.527 314 R N 0.420 120.592 120.500 -0.547 0.000 3.793 314 R HA -0.354 3.986 4.340 0.000 0.000 0.464 314 R C 1.645 177.816 176.300 -0.215 0.000 0.241 314 R CA 2.504 58.332 56.100 -0.452 0.000 1.464 314 R CB -1.754 28.149 30.300 -0.663 0.000 0.954 314 R HN 0.752 nan 8.270 nan 0.000 0.583 315 T N -0.734 113.707 114.554 -0.187 0.000 3.072 315 T HA 0.142 4.492 4.350 0.000 0.000 0.266 315 T C 1.463 176.138 174.700 -0.041 0.000 1.127 315 T CA 1.380 63.413 62.100 -0.112 0.000 1.107 315 T CB 0.023 68.804 68.868 -0.145 0.000 0.910 315 T HN 1.250 nan 8.240 nan 0.000 0.513 316 G N 1.905 110.702 108.800 -0.005 0.000 2.162 316 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 316 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 316 G C -0.039 174.931 174.900 0.116 0.000 0.976 316 G CA 0.688 45.849 45.100 0.101 0.000 0.655 316 G HN 1.050 nan 8.290 nan 0.000 0.533 317 K N -2.457 117.891 120.400 -0.087 0.000 2.672 317 K HA 0.626 4.946 4.320 0.000 0.000 0.295 317 K C 1.076 177.340 176.600 -0.561 0.000 1.042 317 K CA -0.088 55.943 56.287 -0.426 0.000 0.869 317 K CB 0.886 33.211 32.500 -0.292 0.000 1.541 317 K HN 1.745 nan 8.250 nan 0.000 0.396 318 G N 0.760 109.059 108.800 -0.835 0.000 2.629 318 G HA2 -0.443 3.517 3.960 0.000 0.000 0.313 318 G HA3 -0.443 3.517 3.960 0.000 0.000 0.313 318 G C 1.079 175.509 174.900 -0.784 0.000 1.217 318 G CA 1.806 46.365 45.100 -0.902 0.000 0.994 318 G HN 1.347 nan 8.290 nan 0.000 0.549 319 A N -0.658 121.478 122.820 -1.140 0.000 2.070 319 A HA 0.113 4.433 4.320 0.000 0.000 0.220 319 A C 1.720 179.200 177.584 -0.174 0.000 1.159 319 A CA 2.413 54.165 52.037 -0.474 0.000 0.656 319 A CB -0.282 18.481 19.000 -0.394 0.000 0.800 319 A HN 0.603 nan 8.150 nan 0.000 0.453 320 D N -0.030 120.262 120.400 -0.179 0.000 2.342 320 D HA 0.343 4.983 4.640 0.000 0.000 0.221 320 D C 0.548 176.911 176.300 0.106 0.000 1.101 320 D CA 0.502 54.532 54.000 0.050 0.000 0.837 320 D CB 0.001 40.797 40.800 -0.007 0.000 0.938 320 D HN 0.412 nan 8.370 nan 0.000 0.508 321 A N 0.922 123.737 122.820 -0.008 0.000 2.462 321 A HA 0.389 4.709 4.320 0.000 0.000 0.243 321 A C 0.194 177.865 177.584 0.145 0.000 1.076 321 A CA 0.153 52.213 52.037 0.038 0.000 0.773 321 A CB 0.212 19.156 19.000 -0.093 0.000 1.010 321 A HN 0.184 nan 8.150 nan 0.000 0.493 322 I N 2.502 123.173 120.570 0.168 0.000 2.439 322 I HA 0.317 4.487 4.170 0.000 0.000 0.285 322 I C 0.477 176.660 176.117 0.109 0.000 1.021 322 I CA -0.220 61.146 61.300 0.110 0.000 1.091 322 I CB 2.274 40.301 38.000 0.046 0.000 1.242 322 I HN 0.785 nan 8.210 nan 0.000 0.439 323 T N 1.285 115.890 114.554 0.085 0.000 3.447 323 T HA -0.022 4.328 4.350 0.000 0.000 0.218 323 T C 1.565 176.229 174.700 -0.059 0.000 0.972 323 T CA 0.789 62.875 62.100 -0.022 0.000 1.264 323 T CB 0.010 68.897 68.868 0.031 0.000 1.284 323 T HN 0.622 nan 8.240 nan 0.000 0.361 324 S N 0.569 116.278 115.700 0.014 0.000 2.496 324 S HA 0.346 4.816 4.470 0.000 0.000 0.224 324 S C 1.933 176.532 174.600 -0.001 0.000 0.996 324 S CA 1.036 59.243 58.200 0.010 0.000 0.927 324 S CB -0.180 63.060 63.200 0.067 0.000 0.774 324 S HN 1.054 nan 8.310 nan 0.000 0.524 325 G N 0.566 109.360 108.800 -0.008 0.000 2.199 325 G HA2 -0.216 3.744 3.960 0.000 0.000 0.254 325 G HA3 -0.216 3.744 3.960 0.000 0.000 0.254 325 G C -0.105 174.765 174.900 -0.050 0.000 0.982 325 G CA 0.299 45.376 45.100 -0.038 0.000 0.632 325 G HN 0.528 nan 8.290 nan 0.000 0.529 326 L N 0.042 121.245 121.223 -0.033 0.000 2.360 326 L HA 0.767 5.107 4.340 0.000 0.000 0.271 326 L C 0.317 177.119 176.870 -0.112 0.000 1.057 326 L CA -0.784 54.021 54.840 -0.057 0.000 0.803 326 L CB 1.720 43.769 42.059 -0.017 0.000 1.207 326 L HN 0.102 nan 8.230 nan 0.000 0.445 327 E N 1.836 121.942 120.200 -0.157 0.000 2.914 327 E HA 0.424 4.774 4.350 0.000 0.000 0.246 327 E C -1.766 174.665 176.600 -0.281 0.000 1.146 327 E CA -0.177 56.090 56.400 -0.221 0.000 0.803 327 E CB 1.027 30.613 29.700 -0.189 0.000 1.409 327 E HN 0.219 nan 8.360 nan 0.000 0.392 328 V N 2.564 122.236 119.914 -0.404 0.000 2.588 328 V HA 0.606 4.726 4.120 0.000 0.000 0.304 328 V C -0.349 175.270 176.094 -0.792 0.000 1.042 328 V CA -0.675 61.284 62.300 -0.570 0.000 0.877 328 V CB 2.323 33.755 31.823 -0.651 0.000 0.996 328 V HN 0.548 nan 8.190 nan 0.000 0.425 329 T N 4.268 118.454 114.554 -0.612 0.000 2.847 329 T HA 0.297 4.648 4.350 0.000 0.000 0.291 329 T C 0.489 174.987 174.700 -0.337 0.000 0.998 329 T CA -0.415 61.409 62.100 -0.459 0.000 0.967 329 T CB 0.929 69.729 68.868 -0.113 0.000 0.954 329 T HN 0.720 nan 8.240 nan 0.000 0.441 330 W N 2.535 123.814 121.300 -0.036 0.000 2.453 330 W HA 0.021 4.681 4.660 0.000 0.000 0.289 330 W C 1.413 177.906 176.519 -0.043 0.000 1.215 330 W CA 0.537 57.862 57.345 -0.032 0.000 1.297 330 W CB -0.335 29.161 29.460 0.060 0.000 1.113 330 W HN 0.586 nan 8.180 nan 0.000 0.551 331 T N -3.384 111.261 114.554 0.153 0.000 2.926 331 T HA 0.295 4.646 4.350 0.000 0.000 0.289 331 T C 0.988 175.672 174.700 -0.027 0.000 1.054 331 T CA 0.073 62.194 62.100 0.034 0.000 1.015 331 T CB 2.226 71.057 68.868 -0.061 0.000 1.167 331 T HN -0.054 nan 8.240 nan 0.000 0.526 332 T N -1.758 112.778 114.554 -0.031 0.000 3.085 332 T HA 0.123 4.473 4.350 0.000 0.000 0.263 332 T C 0.992 175.637 174.700 -0.092 0.000 1.127 332 T CA 0.832 62.911 62.100 -0.035 0.000 1.103 332 T CB -0.721 68.146 68.868 -0.002 0.000 0.921 332 T HN 1.019 nan 8.240 nan 0.000 0.510 333 T N -0.893 113.577 114.554 -0.141 0.000 3.410 333 T HA 0.485 4.836 4.350 0.000 0.000 0.328 333 T C -2.632 171.914 174.700 -0.257 0.000 1.567 333 T CA -1.462 60.530 62.100 -0.179 0.000 1.626 333 T CB 1.406 70.203 68.868 -0.119 0.000 0.939 333 T HN -0.091 nan 8.240 nan 0.000 0.656 334 P HA -0.028 nan 4.420 nan 0.000 0.228 334 P C 1.346 178.507 177.300 -0.232 0.000 1.151 334 P CA 0.897 63.745 63.100 -0.421 0.000 0.770 334 P CB -0.008 31.122 31.700 -0.949 0.000 0.786 335 T N -5.502 108.913 114.554 -0.231 0.000 3.174 335 T HA 0.267 4.617 4.350 0.000 0.000 0.269 335 T C 0.296 174.985 174.700 -0.019 0.000 1.017 335 T CA -0.311 61.701 62.100 -0.148 0.000 0.899 335 T CB -0.330 68.416 68.868 -0.203 0.000 1.077 335 T HN 0.038 nan 8.240 nan 0.000 0.552 336 Q N 0.611 120.439 119.800 0.046 0.000 2.305 336 Q HA 0.313 4.653 4.340 0.000 0.000 0.271 336 Q C -1.202 174.862 176.000 0.106 0.000 1.046 336 Q CA -0.939 54.938 55.803 0.124 0.000 0.798 336 Q CB 2.018 30.779 28.738 0.039 0.000 1.286 336 Q HN 0.542 nan 8.270 nan 0.000 0.435 337 W N 3.367 124.736 121.300 0.116 0.000 2.231 337 W HA 0.187 4.847 4.660 0.000 0.000 0.341 337 W C -0.471 175.916 176.519 -0.219 0.000 1.298 337 W CA 1.186 58.478 57.345 -0.087 0.000 1.266 337 W CB 0.769 30.359 29.460 0.216 0.000 1.172 337 W HN 0.819 nan 8.180 nan 0.000 0.568 338 S N 3.185 118.049 115.700 -1.394 0.000 2.724 338 S HA 0.325 4.795 4.470 0.000 0.000 0.278 338 S C -1.129 172.374 174.600 -1.828 0.000 1.190 338 S CA -0.799 56.652 58.200 -1.249 0.000 0.860 338 S CB 1.861 64.730 63.200 -0.552 0.000 1.206 338 S HN 0.590 nan 8.310 nan 0.000 0.507 339 H N 0.118 118.986 119.070 -0.337 0.000 2.575 339 H HA 0.492 5.048 4.556 0.000 0.000 0.256 339 H C 1.006 176.340 175.328 0.010 0.000 1.162 339 H CA -0.406 55.583 56.048 -0.097 0.000 0.969 339 H CB -0.100 29.688 29.762 0.044 0.000 1.796 339 H HN 0.592 nan 8.280 nan 0.000 0.607 340 N N 0.296 118.947 118.700 -0.081 0.000 2.409 340 N HA -0.121 4.619 4.740 0.000 0.000 0.179 340 N C 1.355 176.869 175.510 0.006 0.000 1.032 340 N CA 0.301 53.348 53.050 -0.005 0.000 0.898 340 N CB 0.133 38.589 38.487 -0.051 0.000 0.971 340 N HN 0.301 nan 8.380 nan 0.000 0.441 341 F N 0.751 120.567 119.950 -0.223 0.000 2.075 341 F HA -0.126 4.401 4.527 0.000 0.000 0.297 341 F C 1.567 177.198 175.800 -0.281 0.000 1.113 341 F CA 1.612 59.422 58.000 -0.316 0.000 1.218 341 F CB -0.414 38.235 39.000 -0.586 0.000 0.984 341 F HN -0.045 nan 8.300 nan 0.000 0.472 342 F N 0.542 120.541 119.950 0.082 0.000 2.293 342 F HA -0.062 4.466 4.527 0.000 0.000 0.297 342 F C 2.314 178.103 175.800 -0.017 0.000 1.089 342 F CA 0.935 58.937 58.000 0.003 0.000 1.377 342 F CB -0.494 38.626 39.000 0.201 0.000 1.051 342 F HN -0.031 nan 8.300 nan 0.000 0.511 343 E N 0.494 120.879 120.200 0.307 0.000 2.049 343 E HA -0.240 4.110 4.350 0.000 0.000 0.198 343 E C 1.808 178.461 176.600 0.088 0.000 1.007 343 E CA 1.525 58.070 56.400 0.242 0.000 0.809 343 E CB -0.234 29.587 29.700 0.202 0.000 0.749 343 E HN 0.346 nan 8.360 nan 0.000 0.450 344 N N 0.690 119.446 118.700 0.094 0.000 2.106 344 N HA -0.141 4.600 4.740 0.000 0.000 0.188 344 N C 1.846 177.552 175.510 0.326 0.000 1.029 344 N CA 0.594 53.799 53.050 0.258 0.000 0.848 344 N CB -0.424 38.233 38.487 0.282 0.000 1.007 344 N HN 0.066 nan 8.380 nan 0.000 0.423 345 L N -0.004 121.180 121.223 -0.064 0.000 2.012 345 L HA -0.056 4.284 4.340 0.000 0.000 0.210 345 L C 1.698 178.470 176.870 -0.165 0.000 1.073 345 L CA 1.661 56.353 54.840 -0.247 0.000 0.748 345 L CB -0.613 40.987 42.059 -0.766 0.000 0.891 345 L HN 0.072 nan 8.230 nan 0.000 0.431 346 F N -1.200 118.704 119.950 -0.077 0.000 2.416 346 F HA 0.132 4.659 4.527 0.000 0.000 0.296 346 F C 2.277 178.001 175.800 -0.127 0.000 1.099 346 F CA 0.581 58.484 58.000 -0.162 0.000 1.427 346 F CB -0.531 38.217 39.000 -0.420 0.000 1.079 346 F HN 0.173 nan 8.300 nan 0.000 0.536 347 G N -1.359 107.428 108.800 -0.022 0.000 2.623 347 G HA2 -0.020 3.940 3.960 0.000 0.000 0.214 347 G HA3 -0.020 3.940 3.960 0.000 0.000 0.214 347 G C -0.128 174.484 174.900 -0.479 0.000 1.138 347 G CA 0.245 45.187 45.100 -0.264 0.000 0.794 347 G HN 0.244 nan 8.290 nan 0.000 0.535 348 Y N -0.173 120.024 120.300 -0.171 0.000 2.562 348 Y HA 0.516 5.066 4.550 0.000 0.000 0.343 348 Y C 0.007 175.596 175.900 -0.519 0.000 1.025 348 Y CA -1.340 56.492 58.100 -0.446 0.000 1.082 348 Y CB 1.508 39.449 38.460 -0.864 0.000 1.264 348 Y HN -0.165 nan 8.280 nan 0.000 0.478 349 E N 1.008 121.051 120.200 -0.263 0.000 2.277 349 E HA 0.157 4.507 4.350 0.000 0.000 0.274 349 E C -1.567 174.797 176.600 -0.394 0.000 1.022 349 E CA -0.415 55.877 56.400 -0.179 0.000 0.853 349 E CB 1.176 30.871 29.700 -0.008 0.000 1.086 349 E HN 0.558 nan 8.360 nan 0.000 0.397 350 W N 0.766 122.168 121.300 0.168 0.000 2.632 350 W HA 0.342 5.003 4.660 0.000 0.000 0.328 350 W C 0.304 177.049 176.519 0.377 0.000 1.044 350 W CA -0.666 56.813 57.345 0.224 0.000 1.225 350 W CB 1.354 30.906 29.460 0.153 0.000 1.396 350 W HN 0.383 nan 8.180 nan 0.000 0.499 351 E N 2.410 122.961 120.200 0.585 0.000 2.187 351 E HA 0.414 4.764 4.350 0.000 0.000 0.268 351 E C -1.380 175.317 176.600 0.163 0.000 0.896 351 E CA -1.123 55.488 56.400 0.351 0.000 0.766 351 E CB 1.487 31.270 29.700 0.139 0.000 1.142 351 E HN 0.452 nan 8.360 nan 0.000 0.408 352 L N 4.035 125.090 121.223 -0.280 0.000 2.410 352 L HA 0.305 4.645 4.340 0.000 0.000 0.273 352 L C -0.158 176.481 176.870 -0.385 0.000 1.144 352 L CA 1.050 55.373 54.840 -0.861 0.000 0.863 352 L CB 1.063 42.517 42.059 -1.007 0.000 1.140 352 L HN 0.685 nan 8.230 nan 0.000 0.463 353 T N 4.127 118.473 114.554 -0.346 0.000 2.618 353 T HA 0.583 4.933 4.350 0.000 0.000 0.286 353 T C -1.218 173.397 174.700 -0.141 0.000 1.027 353 T CA -0.700 61.298 62.100 -0.170 0.000 1.063 353 T CB 1.031 69.841 68.868 -0.097 0.000 1.440 353 T HN 0.611 nan 8.240 nan 0.000 0.505 354 K N 1.142 121.477 120.400 -0.108 0.000 2.464 354 K HA 0.559 4.879 4.320 0.000 0.000 0.253 354 K C -0.521 176.017 176.600 -0.104 0.000 0.933 354 K CA -0.814 55.405 56.287 -0.114 0.000 0.801 354 K CB 2.078 34.503 32.500 -0.125 0.000 1.271 354 K HN 0.764 nan 8.250 nan 0.000 0.430 355 S N 0.838 116.472 115.700 -0.110 0.000 2.634 355 S HA 0.230 4.700 4.470 0.000 0.000 0.261 355 S C -1.821 172.712 174.600 -0.112 0.000 1.271 355 S CA -0.926 57.209 58.200 -0.109 0.000 0.985 355 S CB 0.617 63.751 63.200 -0.109 0.000 0.968 355 S HN 0.332 nan 8.310 nan 0.000 0.568 356 P HA 0.037 nan 4.420 nan 0.000 0.223 356 P C 0.866 178.076 177.300 -0.150 0.000 1.144 356 P CA 1.442 64.465 63.100 -0.128 0.000 0.783 356 P CB -0.203 31.408 31.700 -0.148 0.000 0.771 357 A N -1.354 121.378 122.820 -0.146 0.000 2.275 357 A HA 0.502 4.822 4.320 0.000 0.000 0.212 357 A C 1.617 179.131 177.584 -0.118 0.000 1.201 357 A CA 0.651 52.607 52.037 -0.134 0.000 0.843 357 A CB -0.838 18.089 19.000 -0.121 0.000 0.873 357 A HN 0.224 nan 8.150 nan 0.000 0.492 358 G N -1.774 106.950 108.800 -0.127 0.000 2.141 358 G HA2 0.117 4.077 3.960 0.000 0.000 0.231 358 G HA3 0.117 4.077 3.960 0.000 0.000 0.231 358 G C 0.363 175.137 174.900 -0.209 0.000 0.984 358 G CA 0.199 45.208 45.100 -0.151 0.000 0.660 358 G HN 1.535 nan 8.290 nan 0.000 0.525 359 A N 0.880 123.597 122.820 -0.171 0.000 2.363 359 A HA 0.608 4.928 4.320 0.000 0.000 0.270 359 A C 0.581 178.065 177.584 -0.167 0.000 1.121 359 A CA -0.438 51.498 52.037 -0.167 0.000 0.800 359 A CB 0.156 19.112 19.000 -0.074 0.000 1.052 359 A HN 0.439 nan 8.150 nan 0.000 0.493 360 H N 1.869 120.895 119.070 -0.074 0.000 3.004 360 H HA 0.227 4.783 4.556 0.000 0.000 0.316 360 H C 0.519 175.780 175.328 -0.112 0.000 1.014 360 H CA 1.164 57.134 56.048 -0.131 0.000 1.454 360 H CB 0.359 30.059 29.762 -0.104 0.000 1.472 360 H HN 0.807 nan 8.280 nan 0.000 0.571 361 Q N 1.876 121.614 119.800 -0.103 0.000 2.782 361 Q HA 0.427 4.767 4.340 0.000 0.000 0.308 361 Q C -1.768 174.066 176.000 -0.277 0.000 0.883 361 Q CA -1.098 54.672 55.803 -0.055 0.000 0.755 361 Q CB 1.648 30.388 28.738 0.004 0.000 1.454 361 Q HN 0.410 nan 8.270 nan 0.000 0.452 362 W N 0.290 121.602 121.300 0.020 0.000 2.936 362 W HA 0.746 5.406 4.660 0.000 0.000 0.338 362 W C -1.158 175.472 176.519 0.185 0.000 1.121 362 W CA -0.766 56.639 57.345 0.099 0.000 1.209 362 W CB 2.195 31.700 29.460 0.074 0.000 1.420 362 W HN 0.515 nan 8.180 nan 0.000 0.516 363 V N 2.365 122.569 119.914 0.483 0.000 2.876 363 V HA 0.839 4.959 4.120 0.000 0.000 0.312 363 V C -0.524 175.705 176.094 0.224 0.000 1.085 363 V CA -1.143 61.357 62.300 0.333 0.000 0.945 363 V CB 1.679 33.562 31.823 0.100 0.000 1.017 363 V HN 0.698 nan 8.190 nan 0.000 0.428 364 A N 5.680 128.393 122.820 -0.178 0.000 2.451 364 A HA 0.415 4.735 4.320 0.000 0.000 0.266 364 A C 0.239 177.569 177.584 -0.423 0.000 1.119 364 A CA -0.088 51.458 52.037 -0.818 0.000 0.786 364 A CB -0.241 17.901 19.000 -1.430 0.000 1.061 364 A HN 0.842 nan 8.150 nan 0.000 0.503 365 K N 1.642 121.861 120.400 -0.302 0.000 2.401 365 K HA 0.349 4.669 4.320 0.000 0.000 0.278 365 K C 1.199 177.736 176.600 -0.104 0.000 1.018 365 K CA 0.916 57.122 56.287 -0.135 0.000 0.981 365 K CB 0.431 32.891 32.500 -0.067 0.000 0.933 365 K HN 1.328 nan 8.250 nan 0.000 0.477 366 G N 1.198 109.959 108.800 -0.066 0.000 2.203 366 G HA2 -0.316 3.644 3.960 0.000 0.000 0.263 366 G HA3 -0.316 3.644 3.960 0.000 0.000 0.263 366 G C 0.096 174.990 174.900 -0.011 0.000 1.012 366 G CA 0.392 45.476 45.100 -0.027 0.000 0.749 366 G HN 0.789 nan 8.290 nan 0.000 0.512 367 A N -0.380 122.391 122.820 -0.082 0.000 2.304 367 A HA 0.650 4.970 4.320 0.000 0.000 0.301 367 A C 0.297 177.847 177.584 -0.055 0.000 1.132 367 A CA -0.334 51.656 52.037 -0.078 0.000 0.819 367 A CB 0.708 19.431 19.000 -0.461 0.000 1.094 367 A HN 0.220 nan 8.150 nan 0.000 0.492 368 D N 0.775 121.175 120.400 -0.000 0.000 2.360 368 D HA 0.385 5.025 4.640 0.000 0.000 0.242 368 D C 0.439 176.722 176.300 -0.027 0.000 1.184 368 D CA 0.557 54.553 54.000 -0.006 0.000 0.930 368 D CB 0.894 41.706 40.800 0.020 0.000 1.161 368 D HN 0.609 nan 8.370 nan 0.000 0.447 369 A N 1.059 123.862 122.820 -0.028 0.000 2.666 369 A HA 0.288 4.609 4.320 0.000 0.000 0.301 369 A C 1.053 178.626 177.584 -0.018 0.000 1.470 369 A CA -0.407 51.609 52.037 -0.035 0.000 1.159 369 A CB -0.657 18.304 19.000 -0.066 0.000 1.116 369 A HN 0.396 nan 8.150 nan 0.000 0.548 370 V N 0.706 120.622 119.914 0.003 0.000 3.645 370 V HA 0.333 4.453 4.120 0.000 0.000 0.275 370 V C 0.400 176.513 176.094 0.032 0.000 1.356 370 V CA -0.049 62.264 62.300 0.023 0.000 1.051 370 V CB -0.383 31.470 31.823 0.050 0.000 0.828 370 V HN 0.539 nan 8.190 nan 0.000 0.441 371 I N 4.321 124.919 120.570 0.047 0.000 2.371 371 I HA 0.430 4.600 4.170 0.000 0.000 0.290 371 I C -2.291 173.900 176.117 0.124 0.000 1.028 371 I CA -2.341 59.004 61.300 0.075 0.000 1.345 371 I CB 0.969 39.022 38.000 0.087 0.000 1.407 371 I HN 0.142 nan 8.210 nan 0.000 0.501 372 P HA 0.063 nan 4.420 nan 0.000 0.269 372 P C -0.587 176.942 177.300 0.382 0.000 1.215 372 P CA -0.177 63.044 63.100 0.203 0.000 0.780 372 P CB 0.916 32.725 31.700 0.182 0.000 0.898 373 D N 0.534 121.093 120.400 0.265 0.000 2.302 373 D HA 0.312 4.953 4.640 0.000 0.000 0.248 373 D C 1.326 177.575 176.300 -0.085 0.000 1.094 373 D CA -0.377 53.752 54.000 0.216 0.000 0.897 373 D CB 0.782 41.684 40.800 0.170 0.000 1.200 373 D HN 0.283 nan 8.370 nan 0.000 0.429 374 A N 2.715 125.221 122.820 -0.522 0.000 2.015 374 A HA -0.037 4.283 4.320 0.000 0.000 0.219 374 A C 1.188 178.021 177.584 -1.251 0.000 1.163 374 A CA 1.056 52.217 52.037 -1.460 0.000 0.646 374 A CB -0.388 17.824 19.000 -1.314 0.000 0.806 374 A HN 0.674 nan 8.150 nan 0.000 0.448 375 F N -1.940 117.853 119.950 -0.262 0.000 2.784 375 F HA 0.236 4.763 4.527 0.000 0.000 0.316 375 F C 0.168 175.916 175.800 -0.085 0.000 1.026 375 F CA -0.482 57.420 58.000 -0.164 0.000 1.188 375 F CB 0.675 39.576 39.000 -0.165 0.000 0.999 375 F HN 0.004 nan 8.300 nan 0.000 0.605 376 D N 2.679 123.131 120.400 0.086 0.000 2.412 376 D HA 0.225 4.865 4.640 0.000 0.000 0.224 376 D C -1.924 174.389 176.300 0.022 0.000 1.093 376 D CA -2.453 51.578 54.000 0.052 0.000 0.850 376 D CB 1.568 42.398 40.800 0.051 0.000 1.046 376 D HN -0.035 nan 8.370 nan 0.000 0.507 377 P HA -0.057 nan 4.420 nan 0.000 0.242 377 P C 0.835 178.136 177.300 0.002 0.000 1.197 377 P CA 0.442 63.550 63.100 0.013 0.000 0.765 377 P CB 0.249 31.956 31.700 0.013 0.000 0.936 378 S N -1.971 113.726 115.700 -0.006 0.000 2.511 378 S HA 0.148 4.618 4.470 0.000 0.000 0.214 378 S C 0.805 175.378 174.600 -0.045 0.000 0.997 378 S CA -0.245 57.943 58.200 -0.020 0.000 0.908 378 S CB -0.269 62.922 63.200 -0.016 0.000 0.803 378 S HN 0.027 nan 8.310 nan 0.000 0.504 379 K N 1.330 121.693 120.400 -0.061 0.000 2.130 379 K HA 0.521 4.841 4.320 0.000 0.000 0.268 379 K C -0.560 175.913 176.600 -0.212 0.000 0.983 379 K CA -0.435 55.761 56.287 -0.152 0.000 0.893 379 K CB 1.386 33.788 32.500 -0.164 0.000 1.066 379 K HN 0.150 nan 8.250 nan 0.000 0.450 380 K N 1.358 121.569 120.400 -0.314 0.000 2.395 380 K HA 0.469 4.789 4.320 0.000 0.000 0.245 380 K C -0.788 175.506 176.600 -0.511 0.000 1.017 380 K CA -0.987 55.127 56.287 -0.289 0.000 0.852 380 K CB 1.802 34.237 32.500 -0.107 0.000 1.311 380 K HN 0.553 nan 8.250 nan 0.000 0.452 381 H N 0.579 119.644 119.070 -0.007 0.000 2.980 381 H HA 0.309 4.865 4.556 0.000 0.000 0.367 381 H C -0.516 174.785 175.328 -0.045 0.000 1.206 381 H CA -0.854 55.178 56.048 -0.026 0.000 1.126 381 H CB 1.659 31.405 29.762 -0.027 0.000 1.838 381 H HN 0.328 nan 8.280 nan 0.000 0.552 382 R N 1.215 121.754 120.500 0.065 0.000 2.641 382 R HA 0.174 4.514 4.340 0.000 0.000 0.269 382 R C -2.292 173.979 176.300 -0.047 0.000 1.074 382 R CA -1.426 54.647 56.100 -0.045 0.000 1.133 382 R CB -0.084 30.165 30.300 -0.086 0.000 1.029 382 R HN 0.271 nan 8.270 nan 0.000 0.488 383 P HA -0.048 nan 4.420 nan 0.000 0.264 383 P C -0.766 176.614 177.300 0.133 0.000 1.183 383 P CA 0.464 63.543 63.100 -0.035 0.000 0.763 383 P CB 0.687 32.279 31.700 -0.179 0.000 0.807 384 T N 0.361 114.993 114.554 0.131 0.000 2.906 384 T HA 0.834 5.184 4.350 0.000 0.000 0.295 384 T C -0.570 174.060 174.700 -0.115 0.000 1.075 384 T CA -0.868 61.291 62.100 0.099 0.000 1.005 384 T CB 1.243 70.065 68.868 -0.076 0.000 1.136 384 T HN 0.100 nan 8.240 nan 0.000 0.498 385 M N 1.675 121.171 119.600 -0.173 0.000 2.531 385 M HA 0.463 4.943 4.480 0.000 0.000 0.286 385 M C -1.087 175.231 176.300 0.030 0.000 1.232 385 M CA -0.721 54.431 55.300 -0.248 0.000 0.877 385 M CB 2.302 34.403 32.600 -0.833 0.000 1.726 385 M HN 0.671 nan 8.290 nan 0.000 0.463 386 L N 0.669 121.982 121.223 0.150 0.000 2.439 386 L HA 0.348 4.688 4.340 0.000 0.000 0.261 386 L C 1.539 178.518 176.870 0.182 0.000 1.153 386 L CA -0.293 54.696 54.840 0.249 0.000 0.808 386 L CB 0.455 42.695 42.059 0.301 0.000 1.126 386 L HN 0.781 nan 8.230 nan 0.000 0.460 387 T N -0.480 114.279 114.554 0.342 0.000 2.685 387 T HA -0.221 4.129 4.350 0.000 0.000 0.268 387 T C 1.761 176.483 174.700 0.037 0.000 1.034 387 T CA 2.316 64.540 62.100 0.207 0.000 1.149 387 T CB -0.315 68.786 68.868 0.388 0.000 0.860 387 T HN 0.936 nan 8.240 nan 0.000 0.449 388 T N 0.330 114.956 114.554 0.120 0.000 2.951 388 T HA -0.074 4.276 4.350 0.000 0.000 0.268 388 T C 1.493 176.215 174.700 0.036 0.000 1.073 388 T CA 0.954 63.112 62.100 0.097 0.000 1.134 388 T CB -0.262 68.703 68.868 0.161 0.000 0.884 388 T HN 0.267 nan 8.240 nan 0.000 0.479 389 D N 1.949 122.392 120.400 0.070 0.000 2.097 389 D HA -0.003 4.637 4.640 0.000 0.000 0.195 389 D C 2.179 178.396 176.300 -0.138 0.000 0.989 389 D CA 0.881 54.914 54.000 0.054 0.000 0.827 389 D CB -0.324 40.563 40.800 0.146 0.000 0.966 389 D HN 0.366 nan 8.370 nan 0.000 0.456 390 L N 1.041 122.101 121.223 -0.272 0.000 2.187 390 L HA -0.141 4.199 4.340 0.000 0.000 0.213 390 L C 2.421 179.252 176.870 -0.065 0.000 1.100 390 L CA 0.623 55.290 54.840 -0.290 0.000 0.765 390 L CB -0.486 41.301 42.059 -0.452 0.000 0.904 390 L HN -0.065 nan 8.230 nan 0.000 0.437 391 S N 0.377 116.066 115.700 -0.017 0.000 2.402 391 S HA -0.155 4.315 4.470 0.000 0.000 0.233 391 S C 1.905 176.564 174.600 0.098 0.000 1.030 391 S CA 1.174 59.427 58.200 0.089 0.000 1.003 391 S CB -0.262 63.002 63.200 0.107 0.000 0.813 391 S HN 0.390 nan 8.310 nan 0.000 0.477 392 L N 0.327 121.518 121.223 -0.052 0.000 2.376 392 L HA 0.046 4.386 4.340 0.000 0.000 0.219 392 L C 2.560 179.388 176.870 -0.070 0.000 1.133 392 L CA 0.872 55.671 54.840 -0.067 0.000 0.816 392 L CB -0.298 41.716 42.059 -0.074 0.000 0.933 392 L HN 0.251 nan 8.230 nan 0.000 0.449 393 R N -0.447 119.890 120.500 -0.273 0.000 2.167 393 R HA 0.039 4.379 4.340 0.000 0.000 0.201 393 R C 1.813 177.807 176.300 -0.510 0.000 1.024 393 R CA 0.541 56.331 56.100 -0.516 0.000 1.053 393 R CB 0.144 29.843 30.300 -1.001 0.000 0.987 393 R HN 0.154 nan 8.270 nan 0.000 0.493 394 F N 0.661 120.595 119.950 -0.027 0.000 2.746 394 F HA 0.183 4.710 4.527 0.000 0.000 0.297 394 F C 0.619 176.421 175.800 0.003 0.000 1.113 394 F CA -0.360 57.629 58.000 -0.018 0.000 1.367 394 F CB 0.409 39.367 39.000 -0.070 0.000 1.111 394 F HN -0.028 nan 8.300 nan 0.000 0.590 395 D N 1.814 122.305 120.400 0.151 0.000 2.312 395 D HA 0.066 4.706 4.640 0.000 0.000 0.252 395 D C -1.969 174.343 176.300 0.019 0.000 1.150 395 D CA -1.702 52.333 54.000 0.059 0.000 0.870 395 D CB 1.871 42.675 40.800 0.008 0.000 1.153 395 D HN -0.020 nan 8.370 nan 0.000 0.457 396 P HA -0.110 nan 4.420 nan 0.000 0.215 396 P C 0.948 178.224 177.300 -0.040 0.000 1.153 396 P CA 1.287 64.378 63.100 -0.014 0.000 0.853 396 P CB 0.196 31.885 31.700 -0.018 0.000 0.788 397 A N -1.552 121.207 122.820 -0.102 0.000 1.898 397 A HA -0.182 4.138 4.320 0.000 0.000 0.216 397 A C 2.188 179.755 177.584 -0.029 0.000 1.181 397 A CA 1.227 53.199 52.037 -0.109 0.000 0.620 397 A CB -1.841 17.051 19.000 -0.179 0.000 0.819 397 A HN 0.185 nan 8.150 nan 0.000 0.442 398 Y N -0.523 119.743 120.300 -0.058 0.000 2.224 398 Y HA -0.203 4.347 4.550 0.000 0.000 0.289 398 Y C 2.687 178.540 175.900 -0.078 0.000 1.146 398 Y CA 0.939 58.994 58.100 -0.075 0.000 1.182 398 Y CB 0.023 38.444 38.460 -0.065 0.000 0.983 398 Y HN 0.374 nan 8.280 nan 0.000 0.524 399 E N 1.377 121.643 120.200 0.111 0.000 2.085 399 E HA -0.217 4.133 4.350 0.000 0.000 0.194 399 E C 1.752 178.355 176.600 0.004 0.000 0.994 399 E CA 1.258 57.703 56.400 0.076 0.000 0.801 399 E CB -0.021 29.707 29.700 0.047 0.000 0.743 399 E HN 0.498 nan 8.360 nan 0.000 0.453 400 K N 0.041 120.415 120.400 -0.043 0.000 2.057 400 K HA -0.124 4.196 4.320 0.000 0.000 0.207 400 K C 2.381 178.872 176.600 -0.182 0.000 1.049 400 K CA 1.441 57.667 56.287 -0.102 0.000 0.931 400 K CB -0.170 32.281 32.500 -0.082 0.000 0.714 400 K HN 0.198 nan 8.250 nan 0.000 0.440 401 I N 0.818 121.265 120.570 -0.206 0.000 2.202 401 I HA -0.235 3.935 4.170 0.000 0.000 0.242 401 I C 2.283 178.026 176.117 -0.623 0.000 1.091 401 I CA 0.989 62.022 61.300 -0.444 0.000 1.368 401 I CB -0.205 37.561 38.000 -0.390 0.000 1.058 401 I HN 0.021 nan 8.210 nan 0.000 0.410 402 S N 0.487 115.974 115.700 -0.355 0.000 2.383 402 S HA -0.148 4.322 4.470 0.000 0.000 0.229 402 S C 2.107 176.428 174.600 -0.466 0.000 1.030 402 S CA 1.125 59.059 58.200 -0.443 0.000 1.002 402 S CB -0.262 62.968 63.200 0.049 0.000 0.829 402 S HN 0.326 nan 8.310 nan 0.000 0.467 403 R N 0.930 121.258 120.500 -0.286 0.000 2.075 403 R HA 0.004 4.344 4.340 0.000 0.000 0.232 403 R C 2.539 178.674 176.300 -0.274 0.000 1.126 403 R CA 1.079 56.929 56.100 -0.415 0.000 0.963 403 R CB -0.457 29.606 30.300 -0.394 0.000 0.858 403 R HN 0.387 nan 8.270 nan 0.000 0.435 404 R N 0.226 120.571 120.500 -0.259 0.000 2.073 404 R HA -0.094 4.246 4.340 0.000 0.000 0.234 404 R C 2.235 178.530 176.300 -0.009 0.000 1.134 404 R CA 1.485 57.492 56.100 -0.155 0.000 0.952 404 R CB -0.337 29.857 30.300 -0.178 0.000 0.850 404 R HN 0.191 nan 8.270 nan 0.000 0.433 405 F N -0.770 119.036 119.950 -0.239 0.000 2.171 405 F HA -0.228 4.299 4.527 0.000 0.000 0.300 405 F C 2.540 178.212 175.800 -0.215 0.000 1.090 405 F CA 0.853 58.718 58.000 -0.225 0.000 1.293 405 F CB -0.286 38.429 39.000 -0.475 0.000 1.013 405 F HN 0.323 nan 8.300 nan 0.000 0.486 406 H N 0.776 119.662 119.070 -0.307 0.000 2.293 406 H HA -0.155 4.401 4.556 0.000 0.000 0.300 406 H C 1.865 177.174 175.328 -0.032 0.000 1.082 406 H CA 2.221 58.203 56.048 -0.109 0.000 1.308 406 H CB -0.269 29.403 29.762 -0.149 0.000 1.375 406 H HN 0.241 nan 8.280 nan 0.000 0.495 407 E N -0.446 119.639 120.200 -0.190 0.000 2.152 407 E HA -0.033 4.317 4.350 0.000 0.000 0.192 407 E C 0.015 176.556 176.600 -0.099 0.000 0.983 407 E CA 0.701 56.973 56.400 -0.213 0.000 0.818 407 E CB 0.227 29.831 29.700 -0.160 0.000 0.758 407 E HN 0.491 nan 8.360 nan 0.000 0.467 408 N N 0.843 119.541 118.700 -0.002 0.000 2.844 408 N HA 0.119 4.859 4.740 0.000 0.000 0.268 408 N C -2.386 173.205 175.510 0.135 0.000 1.574 408 N CA -0.946 52.137 53.050 0.056 0.000 0.838 408 N CB 1.436 39.977 38.487 0.090 0.000 1.177 408 N HN -0.017 nan 8.380 nan 0.000 0.495 409 P HA -0.159 nan 4.420 nan 0.000 0.225 409 P C 1.584 179.006 177.300 0.203 0.000 1.148 409 P CA 1.037 64.230 63.100 0.154 0.000 0.779 409 P CB 0.369 31.853 31.700 -0.361 0.000 0.780 410 E N 0.780 121.045 120.200 0.109 0.000 2.150 410 E HA -0.220 4.130 4.350 0.000 0.000 0.193 410 E C 1.657 178.349 176.600 0.153 0.000 0.985 410 E CA 1.334 57.812 56.400 0.130 0.000 0.814 410 E CB -0.941 28.803 29.700 0.073 0.000 0.752 410 E HN 0.340 nan 8.360 nan 0.000 0.466 411 Q N -0.440 119.468 119.800 0.180 0.000 2.079 411 Q HA -0.098 4.243 4.340 0.000 0.000 0.200 411 Q C 2.082 178.155 176.000 0.120 0.000 0.974 411 Q CA 1.450 57.377 55.803 0.207 0.000 0.840 411 Q CB -0.361 28.561 28.738 0.306 0.000 0.898 411 Q HN 0.271 nan 8.270 nan 0.000 0.430 412 F N 1.626 121.487 119.950 -0.149 0.000 2.046 412 F HA -0.240 4.287 4.527 0.000 0.000 0.297 412 F C 2.184 177.994 175.800 0.017 0.000 1.123 412 F CA 1.516 59.215 58.000 -0.502 0.000 1.199 412 F CB -0.919 38.050 39.000 -0.053 0.000 0.972 412 F HN 0.010 nan 8.300 nan 0.000 0.474 413 A N -0.215 122.704 122.820 0.164 0.000 1.892 413 A HA -0.294 4.026 4.320 0.000 0.000 0.218 413 A C 2.000 179.636 177.584 0.085 0.000 1.188 413 A CA 2.257 54.400 52.037 0.176 0.000 0.631 413 A CB -1.440 17.700 19.000 0.234 0.000 0.822 413 A HN 0.547 nan 8.150 nan 0.000 0.447 414 D N -0.723 119.713 120.400 0.059 0.000 2.097 414 D HA 0.001 4.641 4.640 0.000 0.000 0.197 414 D C 2.092 178.425 176.300 0.055 0.000 0.984 414 D CA 1.654 55.680 54.000 0.043 0.000 0.826 414 D CB -0.219 40.618 40.800 0.063 0.000 0.973 414 D HN 0.345 nan 8.370 nan 0.000 0.460 415 A N -0.176 122.688 122.820 0.074 0.000 1.883 415 A HA -0.159 4.161 4.320 0.000 0.000 0.217 415 A C 2.296 179.984 177.584 0.172 0.000 1.186 415 A CA 1.412 53.525 52.037 0.127 0.000 0.624 415 A CB -1.364 17.739 19.000 0.172 0.000 0.822 415 A HN 0.513 nan 8.150 nan 0.000 0.444 416 F N 0.624 120.557 119.950 -0.030 0.000 2.134 416 F HA -0.096 4.431 4.527 0.000 0.000 0.299 416 F C 2.558 178.443 175.800 0.141 0.000 1.097 416 F CA 1.186 59.176 58.000 -0.018 0.000 1.264 416 F CB -0.106 38.729 39.000 -0.274 0.000 1.001 416 F HN 0.292 nan 8.300 nan 0.000 0.479 417 A N 0.911 123.798 122.820 0.112 0.000 1.883 417 A HA -0.218 4.102 4.320 0.000 0.000 0.217 417 A C 2.193 179.810 177.584 0.055 0.000 1.186 417 A CA 1.851 53.952 52.037 0.106 0.000 0.624 417 A CB -0.750 18.280 19.000 0.050 0.000 0.822 417 A HN 0.472 nan 8.150 nan 0.000 0.444 418 R N -0.654 119.777 120.500 -0.114 0.000 2.075 418 R HA -0.019 4.321 4.340 0.000 0.000 0.232 418 R C 2.487 178.795 176.300 0.012 0.000 1.126 418 R CA 1.169 57.093 56.100 -0.293 0.000 0.963 418 R CB -0.452 29.643 30.300 -0.342 0.000 0.858 418 R HN 0.504 nan 8.270 nan 0.000 0.435 419 A N 1.038 123.907 122.820 0.082 0.000 1.930 419 A HA -0.183 4.137 4.320 0.000 0.000 0.217 419 A C 1.877 179.539 177.584 0.129 0.000 1.175 419 A CA 0.887 52.992 52.037 0.113 0.000 0.627 419 A CB -0.876 18.241 19.000 0.195 0.000 0.815 419 A HN 0.617 nan 8.150 nan 0.000 0.443 420 W N -0.345 120.925 121.300 -0.051 0.000 2.358 420 W HA -0.220 4.440 4.660 0.000 0.000 0.303 420 W C 1.805 178.374 176.519 0.083 0.000 1.208 420 W CA 1.751 59.061 57.345 -0.059 0.000 1.274 420 W CB -0.445 28.813 29.460 -0.337 0.000 1.138 420 W HN 0.402 nan 8.180 nan 0.000 0.515 421 F N 2.073 122.083 119.950 0.100 0.000 2.075 421 F HA -0.190 4.337 4.527 0.000 0.000 0.297 421 F C 2.673 178.504 175.800 0.053 0.000 1.113 421 F CA 2.857 60.928 58.000 0.120 0.000 1.218 421 F CB -0.920 38.225 39.000 0.242 0.000 0.984 421 F HN -0.231 nan 8.300 nan 0.000 0.472 422 K N 0.293 120.613 120.400 -0.134 0.000 2.001 422 K HA -0.260 4.060 4.320 0.000 0.000 0.214 422 K C 2.221 178.401 176.600 -0.701 0.000 1.050 422 K CA 2.006 57.879 56.287 -0.691 0.000 0.934 422 K CB -0.782 31.268 32.500 -0.751 0.000 0.718 422 K HN 0.369 nan 8.250 nan 0.000 0.443 423 L N 1.323 122.291 121.223 -0.425 0.000 1.997 423 L HA -0.225 4.116 4.340 0.000 0.000 0.216 423 L C 2.253 178.862 176.870 -0.436 0.000 1.074 423 L CA 2.842 57.480 54.840 -0.337 0.000 0.763 423 L CB -1.064 40.889 42.059 -0.176 0.000 0.890 423 L HN 0.522 nan 8.230 nan 0.000 0.434 424 T N -5.072 109.172 114.554 -0.516 0.000 3.113 424 T HA -0.020 4.330 4.350 0.000 0.000 0.256 424 T C 1.026 175.313 174.700 -0.689 0.000 1.131 424 T CA 1.122 62.883 62.100 -0.565 0.000 1.074 424 T CB -0.526 67.949 68.868 -0.655 0.000 0.944 424 T HN 0.581 nan 8.240 nan 0.000 0.516 425 H N -0.945 117.745 119.070 -0.634 0.000 3.058 425 H HA 0.501 5.057 4.556 0.000 0.000 0.266 425 H C 1.882 176.993 175.328 -0.362 0.000 1.135 425 H CA -0.487 55.230 56.048 -0.550 0.000 1.174 425 H CB 0.333 29.627 29.762 -0.780 0.000 1.581 425 H HN 0.081 nan 8.280 nan 0.000 0.553 426 R N 1.643 121.849 120.500 -0.490 0.000 2.103 426 R HA -0.114 4.226 4.340 0.000 0.000 0.242 426 R C 0.823 176.929 176.300 -0.324 0.000 1.142 426 R CA 2.037 57.795 56.100 -0.569 0.000 0.960 426 R CB -0.180 29.572 30.300 -0.913 0.000 0.858 426 R HN 0.443 nan 8.270 nan 0.000 0.439 427 D N -1.318 118.859 120.400 -0.372 0.000 2.325 427 D HA -0.045 4.596 4.640 0.000 0.000 0.225 427 D C 1.231 177.466 176.300 -0.109 0.000 1.096 427 D CA 0.170 54.056 54.000 -0.191 0.000 0.844 427 D CB -0.131 40.580 40.800 -0.148 0.000 0.925 427 D HN 0.319 nan 8.370 nan 0.000 0.513 428 M N 0.197 119.750 119.600 -0.080 0.000 2.558 428 M HA 0.181 4.661 4.480 0.000 0.000 0.255 428 M C 0.979 177.263 176.300 -0.026 0.000 1.113 428 M CA 0.816 56.080 55.300 -0.061 0.000 1.097 428 M CB 0.127 32.687 32.600 -0.067 0.000 1.426 428 M HN 0.309 nan 8.290 nan 0.000 0.488 429 G N 0.729 109.544 108.800 0.024 0.000 2.615 429 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 429 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 429 G C -2.844 172.036 174.900 -0.033 0.000 1.339 429 G CA -1.279 43.798 45.100 -0.037 0.000 0.884 429 G HN 0.135 nan 8.290 nan 0.000 0.559 430 P HA 0.197 nan 4.420 nan 0.000 0.266 430 P C 1.040 178.151 177.300 -0.315 0.000 1.193 430 P CA 0.135 63.161 63.100 -0.125 0.000 0.770 430 P CB 0.234 31.945 31.700 0.018 0.000 0.836 431 R N 2.542 122.743 120.500 -0.498 0.000 2.200 431 R HA -0.148 4.192 4.340 0.000 0.000 0.234 431 R C 1.939 177.950 176.300 -0.482 0.000 1.127 431 R CA 1.439 56.996 56.100 -0.905 0.000 0.989 431 R CB -0.776 29.122 30.300 -0.671 0.000 0.869 431 R HN 0.506 nan 8.270 nan 0.000 0.459 432 A N 1.400 124.085 122.820 -0.224 0.000 2.076 432 A HA -0.167 4.154 4.320 0.000 0.000 0.220 432 A C 1.832 179.397 177.584 -0.031 0.000 1.160 432 A CA 1.132 53.122 52.037 -0.078 0.000 0.653 432 A CB -0.279 18.729 19.000 0.013 0.000 0.801 432 A HN 0.257 nan 8.150 nan 0.000 0.455 433 R N -1.743 118.717 120.500 -0.067 0.000 2.275 433 R HA 0.049 4.389 4.340 0.000 0.000 0.199 433 R C -0.517 175.861 176.300 0.130 0.000 0.989 433 R CA -0.044 56.043 56.100 -0.021 0.000 1.016 433 R CB -0.042 30.147 30.300 -0.185 0.000 0.918 433 R HN 0.481 nan 8.270 nan 0.000 0.473 434 Y N 1.610 121.856 120.300 -0.089 0.000 2.436 434 Y HA 0.221 4.771 4.550 0.000 0.000 0.336 434 Y C 0.609 176.474 175.900 -0.058 0.000 1.049 434 Y CA -0.831 57.223 58.100 -0.078 0.000 1.294 434 Y CB 0.192 38.635 38.460 -0.029 0.000 1.179 434 Y HN -0.135 nan 8.280 nan 0.000 0.520 435 L N 2.291 123.535 121.223 0.034 0.000 2.330 435 L HA 0.896 5.236 4.340 0.000 0.000 0.271 435 L C 0.622 177.634 176.870 0.236 0.000 1.013 435 L CA -0.888 54.009 54.840 0.095 0.000 0.816 435 L CB 1.839 43.916 42.059 0.029 0.000 1.287 435 L HN 0.796 nan 8.230 nan 0.000 0.435 436 G N 1.578 110.568 108.800 0.316 0.000 2.655 436 G HA2 -0.118 3.843 3.960 0.000 0.000 0.680 436 G HA3 -0.118 3.843 3.960 0.000 0.000 0.680 436 G C -2.376 172.627 174.900 0.171 0.000 1.302 436 G CA -0.323 44.975 45.100 0.329 0.000 0.872 436 G HN 0.541 nan 8.290 nan 0.000 0.540 437 P HA 0.172 nan 4.420 nan 0.000 0.249 437 P C 0.583 177.921 177.300 0.065 0.000 1.229 437 P CA 0.970 64.110 63.100 0.066 0.000 0.788 437 P CB 0.278 31.996 31.700 0.030 0.000 1.072 438 E N -0.322 119.951 120.200 0.123 0.000 2.624 438 E HA 0.148 4.498 4.350 0.000 0.000 0.210 438 E C -0.219 176.409 176.600 0.047 0.000 0.997 438 E CA -0.264 56.193 56.400 0.094 0.000 0.999 438 E CB 0.960 30.777 29.700 0.194 0.000 1.040 438 E HN 0.009 nan 8.360 nan 0.000 0.469 439 V N 4.304 124.244 119.914 0.045 0.000 2.529 439 V HA 0.055 4.175 4.120 0.000 0.000 0.292 439 V C -1.887 174.143 176.094 -0.105 0.000 1.028 439 V CA -1.195 61.123 62.300 0.030 0.000 1.074 439 V CB -0.097 31.801 31.823 0.125 0.000 0.958 439 V HN 0.103 nan 8.190 nan 0.000 0.481 440 P HA 0.166 nan 4.420 nan 0.000 0.268 440 P C 0.443 177.599 177.300 -0.241 0.000 1.204 440 P CA -0.128 62.712 63.100 -0.432 0.000 0.768 440 P CB 1.038 32.230 31.700 -0.847 0.000 0.842 441 A N 2.694 125.381 122.820 -0.222 0.000 2.014 441 A HA -0.104 4.216 4.320 0.000 0.000 0.218 441 A C 1.069 178.581 177.584 -0.120 0.000 1.163 441 A CA 0.592 52.545 52.037 -0.139 0.000 0.652 441 A CB -0.693 18.237 19.000 -0.118 0.000 0.808 441 A HN 0.660 nan 8.150 nan 0.000 0.449 442 E N 0.542 120.662 120.200 -0.134 0.000 2.376 442 E HA 0.288 4.638 4.350 0.000 0.000 0.266 442 E C -1.135 175.442 176.600 -0.038 0.000 1.009 442 E CA -0.273 56.098 56.400 -0.048 0.000 0.902 442 E CB 0.594 30.327 29.700 0.055 0.000 0.972 442 E HN 0.113 nan 8.360 nan 0.000 0.439 443 V N 6.676 126.558 119.914 -0.054 0.000 2.406 443 V HA 0.231 4.351 4.120 0.000 0.000 0.272 443 V C 0.137 176.168 176.094 -0.106 0.000 1.043 443 V CA -0.409 61.830 62.300 -0.102 0.000 0.915 443 V CB 0.824 32.586 31.823 -0.101 0.000 0.988 443 V HN 0.559 nan 8.190 nan 0.000 0.466 444 L N 4.672 125.762 121.223 -0.221 0.000 2.325 444 L HA 0.406 4.746 4.340 0.000 0.000 0.278 444 L C 0.992 177.670 176.870 -0.320 0.000 1.023 444 L CA -0.605 54.071 54.840 -0.272 0.000 0.811 444 L CB 1.506 43.282 42.059 -0.472 0.000 1.249 444 L HN 0.501 nan 8.230 nan 0.000 0.431 445 L N 3.267 124.419 121.223 -0.119 0.000 2.083 445 L HA -0.154 4.187 4.340 0.000 0.000 0.209 445 L C 2.146 179.028 176.870 0.019 0.000 1.083 445 L CA 1.694 56.517 54.840 -0.028 0.000 0.752 445 L CB -0.532 41.563 42.059 0.060 0.000 0.899 445 L HN 0.795 nan 8.230 nan 0.000 0.433 446 W N -0.809 120.532 121.300 0.068 0.000 2.424 446 W HA -0.201 4.460 4.660 0.000 0.000 0.264 446 W C 1.354 177.909 176.519 0.060 0.000 1.229 446 W CA 0.532 57.917 57.345 0.067 0.000 1.208 446 W CB -1.126 28.375 29.460 0.068 0.000 1.127 446 W HN 0.344 nan 8.180 nan 0.000 0.588 447 Q N 1.027 120.603 119.800 -0.374 0.000 2.482 447 Q HA -0.072 4.268 4.340 0.000 0.000 0.209 447 Q C -0.261 175.676 176.000 -0.106 0.000 0.961 447 Q CA 0.646 56.239 55.803 -0.350 0.000 0.945 447 Q CB -0.476 27.896 28.738 -0.611 0.000 1.012 447 Q HN 0.092 nan 8.270 nan 0.000 0.515 448 D N 1.413 121.797 120.400 -0.026 0.000 2.802 448 D HA -0.137 4.503 4.640 0.000 0.000 0.229 448 D C -2.403 173.873 176.300 -0.041 0.000 1.203 448 D CA 0.527 54.527 54.000 -0.000 0.000 0.712 448 D CB -0.699 40.129 40.800 0.047 0.000 0.973 448 D HN 0.306 nan 8.370 nan 0.000 0.407 449 P HA 0.126 nan 4.420 nan 0.000 0.271 449 P C 0.101 177.366 177.300 -0.058 0.000 1.218 449 P CA -0.337 62.708 63.100 -0.092 0.000 0.780 449 P CB 0.938 32.574 31.700 -0.106 0.000 0.901 450 I N 3.338 123.871 120.570 -0.062 0.000 2.389 450 I HA 0.300 4.470 4.170 0.000 0.000 0.288 450 I C -2.053 174.035 176.117 -0.049 0.000 0.999 450 I CA -2.950 58.324 61.300 -0.043 0.000 1.129 450 I CB 0.553 38.531 38.000 -0.037 0.000 1.288 450 I HN 0.181 nan 8.210 nan 0.000 0.444 451 P HA 0.167 nan 4.420 nan 0.000 0.267 451 P C -0.132 177.143 177.300 -0.041 0.000 1.200 451 P CA -0.279 62.801 63.100 -0.034 0.000 0.772 451 P CB 0.517 32.208 31.700 -0.016 0.000 0.855 452 A N 2.540 125.332 122.820 -0.047 0.000 2.520 452 A HA 0.149 4.469 4.320 0.000 0.000 0.235 452 A C 0.125 177.670 177.584 -0.065 0.000 1.065 452 A CA -0.147 51.855 52.037 -0.057 0.000 0.764 452 A CB -0.180 18.788 19.000 -0.053 0.000 1.002 452 A HN 0.402 nan 8.150 nan 0.000 0.502 453 V N 2.991 122.842 119.914 -0.106 0.000 2.432 453 V HA 0.203 4.323 4.120 0.000 0.000 0.271 453 V C 0.211 176.183 176.094 -0.203 0.000 1.046 453 V CA 0.328 62.510 62.300 -0.198 0.000 0.945 453 V CB 1.197 32.862 31.823 -0.264 0.000 0.992 453 V HN 1.013 nan 8.190 nan 0.000 0.471 454 D N 2.452 122.741 120.400 -0.186 0.000 2.440 454 D HA 0.138 4.778 4.640 0.000 0.000 0.216 454 D C 0.128 176.431 176.300 0.004 0.000 1.150 454 D CA -0.150 53.816 54.000 -0.058 0.000 0.832 454 D CB 0.031 40.844 40.800 0.021 0.000 0.992 454 D HN 0.781 nan 8.370 nan 0.000 0.502 455 H N -2.817 116.257 119.070 0.008 0.000 3.008 455 H HA 0.719 5.276 4.556 0.000 0.000 0.354 455 H C -3.077 172.263 175.328 0.020 0.000 1.252 455 H CA -2.060 53.996 56.048 0.015 0.000 1.117 455 H CB -0.055 29.721 29.762 0.023 0.000 1.857 455 H HN -0.344 nan 8.280 nan 0.000 0.547 456 P HA 0.105 nan 4.420 nan 0.000 0.269 456 P C -0.409 177.054 177.300 0.271 0.000 1.209 456 P CA -0.204 62.991 63.100 0.158 0.000 0.776 456 P CB 0.668 32.440 31.700 0.121 0.000 0.876 457 L N 2.668 123.984 121.223 0.156 0.000 2.379 457 L HA 0.428 4.768 4.340 0.000 0.000 0.269 457 L C 1.029 178.000 176.870 0.169 0.000 1.084 457 L CA -1.269 53.674 54.840 0.172 0.000 0.802 457 L CB 0.490 42.597 42.059 0.080 0.000 1.175 457 L HN 0.374 nan 8.230 nan 0.000 0.448 458 I N -1.082 119.601 120.570 0.189 0.000 2.813 458 I HA 0.089 4.259 4.170 0.000 0.000 0.287 458 I C -0.112 176.090 176.117 0.141 0.000 1.196 458 I CA -0.521 60.886 61.300 0.178 0.000 1.421 458 I CB 0.277 38.359 38.000 0.137 0.000 1.365 458 I HN 0.587 nan 8.210 nan 0.000 0.591 459 D N 4.421 124.897 120.400 0.127 0.000 2.564 459 D HA 0.484 5.124 4.640 0.000 0.000 0.273 459 D C 0.896 177.253 176.300 0.096 0.000 1.192 459 D CA -0.272 53.787 54.000 0.098 0.000 1.080 459 D CB 0.941 41.788 40.800 0.079 0.000 1.160 459 D HN 0.601 nan 8.370 nan 0.000 0.607 460 A N -0.215 122.652 122.820 0.077 0.000 1.902 460 A HA 0.088 4.408 4.320 0.000 0.000 0.217 460 A C 2.172 179.792 177.584 0.060 0.000 1.181 460 A CA 2.507 54.587 52.037 0.072 0.000 0.623 460 A CB -1.427 17.607 19.000 0.058 0.000 0.818 460 A HN 0.681 nan 8.150 nan 0.000 0.443 461 A N 0.204 123.060 122.820 0.060 0.000 1.908 461 A HA -0.222 4.098 4.320 0.000 0.000 0.218 461 A C 1.768 179.395 177.584 0.072 0.000 1.181 461 A CA 1.988 54.060 52.037 0.059 0.000 0.627 461 A CB -0.637 18.398 19.000 0.058 0.000 0.818 461 A HN 0.476 nan 8.150 nan 0.000 0.445 462 D N 0.074 120.535 120.400 0.101 0.000 2.117 462 D HA -0.073 4.567 4.640 0.000 0.000 0.197 462 D C 2.253 178.546 176.300 -0.012 0.000 0.987 462 D CA 1.598 55.679 54.000 0.135 0.000 0.829 462 D CB -0.510 40.411 40.800 0.203 0.000 0.961 462 D HN 0.434 nan 8.370 nan 0.000 0.460 463 A N 1.099 123.909 122.820 -0.018 0.000 1.902 463 A HA -0.051 4.269 4.320 0.000 0.000 0.217 463 A C 2.332 179.859 177.584 -0.094 0.000 1.181 463 A CA 2.295 54.272 52.037 -0.099 0.000 0.623 463 A CB -0.751 18.243 19.000 -0.011 0.000 0.818 463 A HN 0.238 nan 8.150 nan 0.000 0.443 464 A N -0.370 122.434 122.820 -0.027 0.000 1.877 464 A HA -0.212 4.108 4.320 0.000 0.000 0.216 464 A C 2.070 179.641 177.584 -0.021 0.000 1.186 464 A CA 1.852 53.878 52.037 -0.018 0.000 0.620 464 A CB -0.598 18.408 19.000 0.010 0.000 0.822 464 A HN 0.673 nan 8.150 nan 0.000 0.443 465 E N -0.204 119.998 120.200 0.002 0.000 2.058 465 E HA -0.193 4.157 4.350 0.000 0.000 0.194 465 E C 1.973 178.561 176.600 -0.020 0.000 0.997 465 E CA 1.327 57.742 56.400 0.026 0.000 0.801 465 E CB -0.213 29.551 29.700 0.106 0.000 0.746 465 E HN 0.623 nan 8.360 nan 0.000 0.450 466 L N 0.590 121.747 121.223 -0.111 0.000 2.093 466 L HA -0.175 4.165 4.340 0.000 0.000 0.208 466 L C 2.632 179.414 176.870 -0.146 0.000 1.085 466 L CA 1.239 55.962 54.840 -0.195 0.000 0.755 466 L CB -0.247 41.576 42.059 -0.393 0.000 0.904 466 L HN 0.052 nan 8.230 nan 0.000 0.435 467 K N -0.039 120.279 120.400 -0.136 0.000 2.103 467 K HA -0.170 4.150 4.320 0.000 0.000 0.207 467 K C 2.203 178.767 176.600 -0.059 0.000 1.048 467 K CA 1.433 57.659 56.287 -0.102 0.000 0.930 467 K CB -0.285 32.163 32.500 -0.088 0.000 0.716 467 K HN 0.306 nan 8.250 nan 0.000 0.444 468 A N 1.932 124.728 122.820 -0.041 0.000 1.930 468 A HA -0.157 4.163 4.320 0.000 0.000 0.217 468 A C 1.889 179.463 177.584 -0.016 0.000 1.175 468 A CA 1.320 53.345 52.037 -0.020 0.000 0.627 468 A CB -0.197 18.799 19.000 -0.007 0.000 0.815 468 A HN 0.170 nan 8.150 nan 0.000 0.443 469 K N -0.311 120.079 120.400 -0.017 0.000 2.097 469 K HA -0.046 4.274 4.320 0.000 0.000 0.205 469 K C 1.896 178.485 176.600 -0.018 0.000 1.050 469 K CA 1.272 57.555 56.287 -0.008 0.000 0.938 469 K CB -0.398 32.105 32.500 0.007 0.000 0.718 469 K HN 0.309 nan 8.250 nan 0.000 0.442 470 V N 2.171 122.062 119.914 -0.038 0.000 2.287 470 V HA -0.250 3.871 4.120 0.000 0.000 0.248 470 V C 2.270 178.350 176.094 -0.023 0.000 1.053 470 V CA 1.675 63.953 62.300 -0.037 0.000 1.027 470 V CB -0.403 31.386 31.823 -0.056 0.000 0.646 470 V HN 0.269 nan 8.190 nan 0.000 0.447 471 L N -0.111 121.097 121.223 -0.024 0.000 2.109 471 L HA -0.068 4.272 4.340 0.000 0.000 0.207 471 L C 2.612 179.476 176.870 -0.010 0.000 1.086 471 L CA 1.309 56.138 54.840 -0.017 0.000 0.760 471 L CB -0.706 41.342 42.059 -0.019 0.000 0.910 471 L HN 0.349 nan 8.230 nan 0.000 0.437 472 A N -0.004 122.811 122.820 -0.008 0.000 2.067 472 A HA -0.158 4.162 4.320 0.000 0.000 0.219 472 A C 2.470 180.053 177.584 -0.001 0.000 1.158 472 A CA 1.471 53.506 52.037 -0.003 0.000 0.661 472 A CB -0.506 18.494 19.000 0.001 0.000 0.801 472 A HN 0.507 nan 8.150 nan 0.000 0.452 473 S N -1.592 114.106 115.700 -0.003 0.000 2.474 473 S HA 0.249 4.719 4.470 0.000 0.000 0.235 473 S C 1.622 176.222 174.600 0.000 0.000 0.997 473 S CA 1.359 59.559 58.200 -0.001 0.000 0.949 473 S CB -0.513 62.686 63.200 -0.002 0.000 0.766 473 S HN 1.898 nan 8.310 nan 0.000 0.517 474 G N 0.582 109.381 108.800 -0.001 0.000 2.175 474 G HA2 -0.227 3.733 3.960 0.000 0.000 0.244 474 G HA3 -0.227 3.733 3.960 0.000 0.000 0.244 474 G C -0.002 174.898 174.900 0.001 0.000 0.982 474 G CA 0.079 45.179 45.100 -0.000 0.000 0.641 474 G HN 0.558 nan 8.290 nan 0.000 0.527 475 L N 2.409 123.632 121.223 0.000 0.000 2.540 475 L HA 0.345 4.685 4.340 0.000 0.000 0.276 475 L C 1.680 178.550 176.870 -0.001 0.000 1.212 475 L CA 0.719 55.560 54.840 0.002 0.000 0.893 475 L CB 0.356 42.417 42.059 0.003 0.000 1.138 475 L HN 0.463 nan 8.230 nan 0.000 0.491 476 T N -0.437 114.118 114.554 0.001 0.000 2.849 476 T HA 0.231 4.581 4.350 0.000 0.000 0.284 476 T C 1.342 176.036 174.700 -0.009 0.000 1.004 476 T CA -0.980 61.118 62.100 -0.004 0.000 1.021 476 T CB 1.531 70.398 68.868 -0.001 0.000 1.013 476 T HN 0.241 nan 8.240 nan 0.000 0.527 477 V N 1.480 121.381 119.914 -0.022 0.000 2.252 477 V HA -0.216 3.904 4.120 0.000 0.000 0.249 477 V C 3.058 179.133 176.094 -0.031 0.000 1.056 477 V CA 2.634 64.910 62.300 -0.041 0.000 1.022 477 V CB -1.222 30.565 31.823 -0.060 0.000 0.641 477 V HN 1.132 nan 8.190 nan 0.000 0.445 478 S N -1.002 114.685 115.700 -0.021 0.000 2.359 478 S HA -0.322 4.148 4.470 0.000 0.000 0.224 478 S C 2.023 176.637 174.600 0.024 0.000 1.035 478 S CA 2.291 60.488 58.200 -0.006 0.000 1.018 478 S CB -0.292 62.904 63.200 -0.006 0.000 0.876 478 S HN 0.725 nan 8.310 nan 0.000 0.448 479 Q N 0.183 119.998 119.800 0.025 0.000 2.084 479 Q HA -0.025 4.315 4.340 0.000 0.000 0.202 479 Q C 2.362 178.399 176.000 0.062 0.000 0.978 479 Q CA 1.690 57.518 55.803 0.042 0.000 0.844 479 Q CB -0.301 28.455 28.738 0.029 0.000 0.898 479 Q HN 0.537 nan 8.270 nan 0.000 0.426 480 L N -0.363 120.889 121.223 0.050 0.000 2.027 480 L HA -0.162 4.178 4.340 0.000 0.000 0.206 480 L C 2.346 179.300 176.870 0.140 0.000 1.074 480 L CA 0.728 55.609 54.840 0.070 0.000 0.745 480 L CB -0.439 41.638 42.059 0.030 0.000 0.898 480 L HN 0.088 nan 8.230 nan 0.000 0.433 481 V N -0.835 119.142 119.914 0.105 0.000 2.307 481 V HA -0.255 3.865 4.120 0.000 0.000 0.245 481 V C 2.584 178.889 176.094 0.352 0.000 1.045 481 V CA 2.008 64.414 62.300 0.178 0.000 1.024 481 V CB -0.357 31.443 31.823 -0.038 0.000 0.651 481 V HN 0.375 nan 8.190 nan 0.000 0.449 482 S N -0.121 115.713 115.700 0.223 0.000 2.370 482 S HA -0.216 4.254 4.470 0.000 0.000 0.226 482 S C 2.060 176.819 174.600 0.265 0.000 1.033 482 S CA 2.048 60.395 58.200 0.245 0.000 1.011 482 S CB -0.459 62.827 63.200 0.144 0.000 0.852 482 S HN 0.708 nan 8.310 nan 0.000 0.457 483 T N 2.334 117.006 114.554 0.197 0.000 2.737 483 T HA 0.022 4.372 4.350 0.000 0.000 0.265 483 T C 2.199 176.996 174.700 0.162 0.000 1.038 483 T CA 1.194 63.383 62.100 0.148 0.000 1.144 483 T CB -0.528 68.398 68.868 0.097 0.000 0.866 483 T HN 0.461 nan 8.240 nan 0.000 0.434 484 A N 1.294 124.254 122.820 0.234 0.000 1.902 484 A HA -0.090 4.230 4.320 0.000 0.000 0.217 484 A C 2.147 179.806 177.584 0.124 0.000 1.181 484 A CA 1.177 53.334 52.037 0.200 0.000 0.623 484 A CB -1.086 18.135 19.000 0.368 0.000 0.818 484 A HN 0.745 nan 8.150 nan 0.000 0.443 485 W N 0.850 122.235 121.300 0.141 0.000 2.335 485 W HA -0.225 4.435 4.660 0.000 0.000 0.311 485 W C 2.277 178.810 176.519 0.022 0.000 1.213 485 W CA 2.139 59.509 57.345 0.043 0.000 1.274 485 W CB -0.373 29.197 29.460 0.184 0.000 1.148 485 W HN 0.424 nan 8.180 nan 0.000 0.498 486 A N 1.019 123.887 122.820 0.080 0.000 1.908 486 A HA -0.145 4.175 4.320 0.000 0.000 0.218 486 A C 2.155 179.686 177.584 -0.087 0.000 1.181 486 A CA 2.912 54.951 52.037 0.003 0.000 0.627 486 A CB -1.309 17.760 19.000 0.114 0.000 0.818 486 A HN 0.366 nan 8.150 nan 0.000 0.445 487 A N -0.571 122.199 122.820 -0.083 0.000 1.872 487 A HA 0.273 4.593 4.320 0.000 0.000 0.214 487 A C 2.445 179.934 177.584 -0.158 0.000 1.187 487 A CA 1.905 53.888 52.037 -0.091 0.000 0.614 487 A CB -0.845 18.120 19.000 -0.058 0.000 0.826 487 A HN 1.045 nan 8.150 nan 0.000 0.442 488 A N -0.147 122.506 122.820 -0.278 0.000 2.021 488 A HA 0.098 4.418 4.320 0.000 0.000 0.216 488 A C 2.217 179.559 177.584 -0.403 0.000 1.163 488 A CA 1.635 53.468 52.037 -0.340 0.000 0.676 488 A CB -0.553 18.180 19.000 -0.445 0.000 0.818 488 A HN 0.925 nan 8.150 nan 0.000 0.453 489 S N -0.319 115.009 115.700 -0.619 0.000 2.575 489 S HA -0.044 4.426 4.470 0.000 0.000 0.215 489 S C 1.498 175.919 174.600 -0.299 0.000 0.966 489 S CA 1.005 58.765 58.200 -0.733 0.000 0.911 489 S CB -0.955 61.257 63.200 -1.647 0.000 0.780 489 S HN 0.641 nan 8.310 nan 0.000 0.514 490 T N -1.200 113.273 114.554 -0.135 0.000 3.072 490 T HA 0.125 4.475 4.350 0.000 0.000 0.266 490 T C 0.328 175.046 174.700 0.030 0.000 1.127 490 T CA -0.249 61.859 62.100 0.014 0.000 1.107 490 T CB -0.870 68.069 68.868 0.117 0.000 0.910 490 T HN 0.390 nan 8.240 nan 0.000 0.513 491 F N 4.219 124.104 119.950 -0.109 0.000 2.563 491 F HA 0.314 4.841 4.527 0.000 0.000 0.363 491 F C 0.709 176.484 175.800 -0.042 0.000 1.123 491 F CA -0.905 57.056 58.000 -0.066 0.000 1.307 491 F CB 0.574 39.513 39.000 -0.101 0.000 1.115 491 F HN 0.197 nan 8.300 nan 0.000 0.592 492 R N 4.074 124.028 120.500 -0.910 0.000 2.574 492 R HA 0.488 4.828 4.340 0.000 0.000 0.288 492 R C 0.192 175.953 176.300 -0.898 0.000 1.004 492 R CA -0.504 55.227 56.100 -0.614 0.000 0.895 492 R CB 1.176 31.303 30.300 -0.289 0.000 1.191 492 R HN 0.747 nan 8.270 nan 0.000 0.444 493 G N 1.116 109.697 108.800 -0.365 0.000 2.572 493 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 493 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 493 G C 1.189 176.045 174.900 -0.072 0.000 1.133 493 G CA 0.628 45.684 45.100 -0.073 0.000 0.791 493 G HN 0.746 nan 8.290 nan 0.000 0.538 494 S N 1.780 117.412 115.700 -0.112 0.000 2.353 494 S HA -0.183 4.287 4.470 0.000 0.000 0.222 494 S C 1.673 176.253 174.600 -0.033 0.000 1.035 494 S CA 1.826 59.984 58.200 -0.069 0.000 1.025 494 S CB -0.238 62.913 63.200 -0.083 0.000 0.902 494 S HN 0.476 nan 8.310 nan 0.000 0.440 495 D N -0.287 120.085 120.400 -0.047 0.000 2.469 495 D HA 0.198 4.838 4.640 0.000 0.000 0.215 495 D C 0.125 176.391 176.300 -0.056 0.000 1.154 495 D CA -0.199 53.808 54.000 0.012 0.000 0.832 495 D CB -0.444 40.470 40.800 0.190 0.000 1.008 495 D HN 0.498 nan 8.370 nan 0.000 0.506 496 K N -0.027 120.262 120.400 -0.185 0.000 3.230 496 K HA -0.190 4.130 4.320 0.000 0.000 0.285 496 K C -0.142 176.424 176.600 -0.057 0.000 1.196 496 K CA 0.499 56.705 56.287 -0.136 0.000 0.838 496 K CB -1.240 31.299 32.500 0.065 0.000 1.262 496 K HN 0.295 nan 8.250 nan 0.000 0.492 497 R N 0.257 120.656 120.500 -0.168 0.000 2.543 497 R HA 0.552 4.892 4.340 0.000 0.000 0.268 497 R C 0.956 177.219 176.300 -0.062 0.000 1.067 497 R CA 0.220 56.301 56.100 -0.032 0.000 1.142 497 R CB 1.129 31.441 30.300 0.020 0.000 1.110 497 R HN 0.323 nan 8.270 nan 0.000 0.549 498 G N -0.388 108.465 108.800 0.088 0.000 2.725 498 G HA2 0.199 4.159 3.960 0.000 0.000 0.220 498 G HA3 0.199 4.159 3.960 0.000 0.000 0.220 498 G C -0.050 175.004 174.900 0.257 0.000 1.357 498 G CA -0.451 44.725 45.100 0.127 0.000 0.866 498 G HN 1.149 nan 8.290 nan 0.000 0.548 499 G N -2.812 106.093 108.800 0.175 0.000 2.541 499 G HA2 0.489 4.449 3.960 0.000 0.000 0.686 499 G HA3 0.489 4.449 3.960 0.000 0.000 0.686 499 G C 0.906 175.799 174.900 -0.013 0.000 1.286 499 G CA 0.939 46.086 45.100 0.078 0.000 0.894 499 G HN 2.439 nan 8.290 nan 0.000 0.575 500 A N -0.187 122.585 122.820 -0.080 0.000 2.067 500 A HA 0.270 4.590 4.320 0.000 0.000 0.217 500 A C 1.311 178.866 177.584 -0.048 0.000 1.156 500 A CA 1.553 53.544 52.037 -0.077 0.000 0.683 500 A CB -0.325 18.611 19.000 -0.107 0.000 0.808 500 A HN 1.148 nan 8.150 nan 0.000 0.455 501 N N -0.072 118.601 118.700 -0.046 0.000 2.412 501 N HA 0.287 5.027 4.740 0.000 0.000 0.254 501 N C 1.167 176.670 175.510 -0.012 0.000 1.232 501 N CA 1.597 54.630 53.050 -0.029 0.000 0.880 501 N CB 0.503 38.973 38.487 -0.028 0.000 1.076 501 N HN 0.608 nan 8.380 nan 0.000 0.458 502 G N 2.208 111.001 108.800 -0.012 0.000 2.234 502 G HA2 -0.167 3.794 3.960 0.000 0.000 0.235 502 G HA3 -0.167 3.794 3.960 0.000 0.000 0.235 502 G C 0.464 175.354 174.900 -0.015 0.000 0.997 502 G CA 0.445 45.538 45.100 -0.011 0.000 0.623 502 G HN 1.660 nan 8.290 nan 0.000 0.514 503 A N -0.661 122.147 122.820 -0.018 0.000 2.704 503 A HA -0.272 4.048 4.320 0.000 0.000 0.299 503 A C 1.537 179.095 177.584 -0.043 0.000 1.507 503 A CA 2.298 54.320 52.037 -0.025 0.000 0.776 503 A CB -1.648 17.344 19.000 -0.013 0.000 1.027 503 A HN 1.006 nan 8.150 nan 0.000 0.475 504 R N -0.770 119.698 120.500 -0.054 0.000 2.280 504 R HA 0.103 4.443 4.340 0.000 0.000 0.207 504 R C 1.937 178.155 176.300 -0.136 0.000 1.043 504 R CA 1.017 57.068 56.100 -0.083 0.000 1.006 504 R CB -0.208 30.049 30.300 -0.072 0.000 0.885 504 R HN 0.826 nan 8.270 nan 0.000 0.467 505 I N 2.010 122.509 120.570 -0.120 0.000 2.423 505 I HA -0.295 3.875 4.170 0.000 0.000 0.254 505 I C 2.364 178.402 176.117 -0.131 0.000 1.151 505 I CA 1.313 62.527 61.300 -0.144 0.000 1.421 505 I CB -0.010 37.941 38.000 -0.082 0.000 1.079 505 I HN 0.143 nan 8.210 nan 0.000 0.431 506 R N 0.442 120.886 120.500 -0.093 0.000 2.299 506 R HA 0.095 4.435 4.340 0.000 0.000 0.197 506 R C 0.286 176.536 176.300 -0.084 0.000 0.971 506 R CA 0.149 56.206 56.100 -0.072 0.000 1.030 506 R CB -0.139 30.134 30.300 -0.045 0.000 0.932 506 R HN 0.292 nan 8.270 nan 0.000 0.477 507 L N 0.938 122.094 121.223 -0.113 0.000 2.332 507 L HA 0.565 4.905 4.340 0.000 0.000 0.269 507 L C 0.150 176.926 176.870 -0.156 0.000 1.016 507 L CA -1.387 53.390 54.840 -0.106 0.000 0.809 507 L CB 1.541 43.548 42.059 -0.086 0.000 1.280 507 L HN 0.020 nan 8.230 nan 0.000 0.447 508 A N 1.864 124.614 122.820 -0.117 0.000 2.462 508 A HA 0.337 4.657 4.320 0.000 0.000 0.243 508 A C -1.734 175.761 177.584 -0.148 0.000 1.076 508 A CA -0.839 51.120 52.037 -0.129 0.000 0.773 508 A CB -0.137 18.827 19.000 -0.060 0.000 1.010 508 A HN 0.618 nan 8.150 nan 0.000 0.493 509 P HA -0.037 nan 4.420 nan 0.000 0.245 509 P C 0.895 177.724 177.300 -0.786 0.000 1.203 509 P CA 0.594 63.531 63.100 -0.272 0.000 0.792 509 P CB 0.252 31.948 31.700 -0.006 0.000 0.997 510 Q N 1.390 120.552 119.800 -1.063 0.000 2.112 510 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 510 Q C 2.191 177.776 176.000 -0.693 0.000 0.987 510 Q CA 2.024 56.962 55.803 -1.442 0.000 0.858 510 Q CB -0.558 27.633 28.738 -0.913 0.000 0.905 510 Q HN 0.471 nan 8.270 nan 0.000 0.420 511 K N 0.161 120.328 120.400 -0.389 0.000 2.280 511 K HA -0.145 4.175 4.320 0.000 0.000 0.202 511 K C 0.575 177.106 176.600 -0.114 0.000 1.047 511 K CA 1.580 57.756 56.287 -0.185 0.000 0.942 511 K CB 0.175 32.601 32.500 -0.123 0.000 0.739 511 K HN 0.088 nan 8.250 nan 0.000 0.457 512 D N -0.225 120.094 120.400 -0.137 0.000 2.395 512 D HA 0.032 4.672 4.640 0.000 0.000 0.213 512 D C -0.492 175.905 176.300 0.161 0.000 1.110 512 D CA -0.129 53.875 54.000 0.006 0.000 0.835 512 D CB 0.147 40.959 40.800 0.020 0.000 0.965 512 D HN 0.171 nan 8.370 nan 0.000 0.505 513 W N 2.274 123.586 121.300 0.019 0.000 2.253 513 W HA 0.093 4.753 4.660 0.000 0.000 0.322 513 W C 1.808 178.328 176.519 0.002 0.000 1.342 513 W CA -0.949 56.409 57.345 0.021 0.000 1.218 513 W CB 0.302 29.769 29.460 0.011 0.000 1.205 513 W HN 0.120 nan 8.180 nan 0.000 0.551 514 E N 2.868 123.213 120.200 0.242 0.000 2.097 514 E HA -0.261 4.089 4.350 0.000 0.000 0.196 514 E C 2.028 178.606 176.600 -0.037 0.000 1.000 514 E CA 2.163 58.643 56.400 0.133 0.000 0.804 514 E CB 0.085 29.905 29.700 0.200 0.000 0.740 514 E HN 0.485 nan 8.360 nan 0.000 0.454 515 A N 0.901 123.575 122.820 -0.243 0.000 1.986 515 A HA -0.200 4.120 4.320 0.000 0.000 0.220 515 A C 1.748 179.237 177.584 -0.159 0.000 1.171 515 A CA 1.728 53.411 52.037 -0.591 0.000 0.640 515 A CB -0.458 18.198 19.000 -0.573 0.000 0.811 515 A HN 0.288 nan 8.150 nan 0.000 0.451 516 N N -0.196 118.524 118.700 0.034 0.000 2.336 516 N HA 0.065 4.806 4.740 0.000 0.000 0.189 516 N C -0.579 174.963 175.510 0.054 0.000 1.113 516 N CA 0.380 53.479 53.050 0.081 0.000 0.858 516 N CB -0.090 38.473 38.487 0.127 0.000 0.970 516 N HN 0.579 nan 8.380 nan 0.000 0.471 517 Q N -0.895 118.928 119.800 0.039 0.000 2.448 517 Q HA -0.153 4.187 4.340 0.000 0.000 0.357 517 Q C -1.903 174.122 176.000 0.043 0.000 1.443 517 Q CA -0.195 55.633 55.803 0.041 0.000 0.996 517 Q CB -1.101 27.659 28.738 0.038 0.000 1.180 517 Q HN 0.266 nan 8.270 nan 0.000 0.338 518 P HA -0.232 nan 4.420 nan 0.000 0.216 518 P C 0.913 178.228 177.300 0.025 0.000 1.153 518 P CA 1.426 64.546 63.100 0.033 0.000 0.858 518 P CB 0.233 31.957 31.700 0.040 0.000 0.789 519 E N -0.656 119.561 120.200 0.029 0.000 2.046 519 E HA -0.223 4.127 4.350 0.000 0.000 0.190 519 E C 2.246 178.859 176.600 0.022 0.000 0.982 519 E CA 0.865 57.279 56.400 0.024 0.000 0.800 519 E CB -0.363 29.352 29.700 0.026 0.000 0.756 519 E HN 0.329 nan 8.360 nan 0.000 0.449 520 Q N 0.987 120.803 119.800 0.027 0.000 2.096 520 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 520 Q C 2.293 178.309 176.000 0.025 0.000 0.982 520 Q CA 1.311 57.130 55.803 0.027 0.000 0.850 520 Q CB -0.150 28.607 28.738 0.032 0.000 0.901 520 Q HN 0.228 nan 8.270 nan 0.000 0.422 521 L N 0.892 122.131 121.223 0.026 0.000 2.012 521 L HA -0.107 4.234 4.340 0.000 0.000 0.210 521 L C 2.359 179.236 176.870 0.012 0.000 1.073 521 L CA 2.369 57.222 54.840 0.022 0.000 0.748 521 L CB -1.105 40.964 42.059 0.018 0.000 0.891 521 L HN 0.314 nan 8.230 nan 0.000 0.431 522 A N -0.379 122.446 122.820 0.008 0.000 1.917 522 A HA -0.193 4.127 4.320 0.000 0.000 0.219 522 A C 2.462 180.050 177.584 0.006 0.000 1.182 522 A CA 2.242 54.281 52.037 0.004 0.000 0.633 522 A CB -1.297 17.705 19.000 0.004 0.000 0.819 522 A HN 0.634 nan 8.150 nan 0.000 0.448 523 A N -0.756 122.070 122.820 0.011 0.000 1.898 523 A HA 0.036 4.356 4.320 0.000 0.000 0.216 523 A C 2.239 179.830 177.584 0.011 0.000 1.181 523 A CA 1.743 53.786 52.037 0.011 0.000 0.620 523 A CB -0.879 18.129 19.000 0.013 0.000 0.819 523 A HN 0.403 nan 8.150 nan 0.000 0.442 524 V N 0.230 120.152 119.914 0.014 0.000 2.295 524 V HA -0.249 3.871 4.120 0.000 0.000 0.246 524 V C 2.543 178.643 176.094 0.010 0.000 1.049 524 V CA 1.910 64.219 62.300 0.015 0.000 1.024 524 V CB -0.796 31.042 31.823 0.024 0.000 0.648 524 V HN 0.568 nan 8.190 nan 0.000 0.447 525 L N -0.096 121.132 121.223 0.007 0.000 2.131 525 L HA -0.208 4.132 4.340 0.000 0.000 0.210 525 L C 2.578 179.449 176.870 0.001 0.000 1.092 525 L CA 1.942 56.783 54.840 0.001 0.000 0.759 525 L CB -0.525 41.532 42.059 -0.004 0.000 0.903 525 L HN 0.480 nan 8.230 nan 0.000 0.435 526 E N -0.170 120.031 120.200 0.002 0.000 2.072 526 E HA -0.175 4.176 4.350 0.000 0.000 0.190 526 E C 1.960 178.562 176.600 0.004 0.000 0.982 526 E CA 1.655 58.056 56.400 0.003 0.000 0.803 526 E CB 0.142 29.845 29.700 0.004 0.000 0.755 526 E HN 0.364 nan 8.360 nan 0.000 0.453 527 T N 1.642 116.198 114.554 0.004 0.000 2.708 527 T HA -0.126 4.224 4.350 0.000 0.000 0.266 527 T C 1.910 176.611 174.700 0.001 0.000 1.037 527 T CA 1.171 63.273 62.100 0.004 0.000 1.146 527 T CB -0.221 68.649 68.868 0.004 0.000 0.865 527 T HN 0.153 nan 8.240 nan 0.000 0.435 528 L N 0.652 121.874 121.223 -0.002 0.000 2.083 528 L HA -0.105 4.235 4.340 0.000 0.000 0.209 528 L C 2.828 179.694 176.870 -0.006 0.000 1.083 528 L CA 1.335 56.170 54.840 -0.009 0.000 0.752 528 L CB -0.480 41.573 42.059 -0.010 0.000 0.899 528 L HN 0.240 nan 8.230 nan 0.000 0.433 529 E N 0.489 120.689 120.200 -0.001 0.000 2.150 529 E HA -0.171 4.180 4.350 0.000 0.000 0.193 529 E C 2.086 178.693 176.600 0.010 0.000 0.985 529 E CA 1.338 57.740 56.400 0.004 0.000 0.814 529 E CB -0.038 29.664 29.700 0.002 0.000 0.752 529 E HN 0.364 nan 8.360 nan 0.000 0.466 530 A N 0.452 123.278 122.820 0.010 0.000 1.902 530 A HA -0.127 4.193 4.320 0.000 0.000 0.217 530 A C 2.317 179.915 177.584 0.024 0.000 1.181 530 A CA 1.443 53.488 52.037 0.014 0.000 0.623 530 A CB -0.659 18.348 19.000 0.011 0.000 0.818 530 A HN 0.348 nan 8.150 nan 0.000 0.443 531 I N -1.200 119.382 120.570 0.020 0.000 2.226 531 I HA -0.252 3.918 4.170 0.000 0.000 0.245 531 I C 2.725 178.877 176.117 0.058 0.000 1.100 531 I CA 1.624 62.942 61.300 0.029 0.000 1.374 531 I CB -0.299 37.700 38.000 -0.001 0.000 1.057 531 I HN 0.347 nan 8.210 nan 0.000 0.413 532 R N 0.439 120.960 120.500 0.035 0.000 2.080 532 R HA -0.175 4.165 4.340 0.000 0.000 0.236 532 R C 2.342 178.701 176.300 0.098 0.000 1.137 532 R CA 2.287 58.421 56.100 0.057 0.000 0.943 532 R CB -0.347 29.966 30.300 0.021 0.000 0.846 532 R HN 0.270 nan 8.270 nan 0.000 0.431 533 T N 0.538 115.126 114.554 0.057 0.000 2.665 533 T HA -0.195 4.155 4.350 0.000 0.000 0.268 533 T C 1.804 176.534 174.700 0.049 0.000 1.035 533 T CA 1.562 63.688 62.100 0.042 0.000 1.151 533 T CB -0.387 68.495 68.868 0.023 0.000 0.862 533 T HN 0.478 nan 8.240 nan 0.000 0.438 534 A N 0.680 123.536 122.820 0.060 0.000 1.933 534 A HA -0.010 4.310 4.320 0.000 0.000 0.218 534 A C 2.041 179.665 177.584 0.066 0.000 1.175 534 A CA 1.377 53.445 52.037 0.051 0.000 0.628 534 A CB -0.888 18.143 19.000 0.053 0.000 0.814 534 A HN 0.520 nan 8.150 nan 0.000 0.444 535 F N 1.093 121.030 119.950 -0.023 0.000 2.163 535 F HA -0.117 4.410 4.527 0.000 0.000 0.297 535 F C 1.971 177.753 175.800 -0.030 0.000 1.094 535 F CA 1.834 59.819 58.000 -0.024 0.000 1.290 535 F CB -0.140 38.844 39.000 -0.026 0.000 1.017 535 F HN 0.178 nan 8.300 nan 0.000 0.483 536 N N 0.732 119.498 118.700 0.111 0.000 2.188 536 N HA -0.084 4.656 4.740 0.000 0.000 0.184 536 N C 2.132 177.583 175.510 -0.098 0.000 1.018 536 N CA 1.288 54.337 53.050 -0.001 0.000 0.858 536 N CB -1.223 37.297 38.487 0.055 0.000 0.989 536 N HN 0.458 nan 8.380 nan 0.000 0.426 537 G N 0.321 109.082 108.800 -0.065 0.000 2.450 537 G HA2 -0.188 3.773 3.960 0.000 0.000 0.220 537 G HA3 -0.188 3.773 3.960 0.000 0.000 0.220 537 G C 1.308 176.141 174.900 -0.111 0.000 1.130 537 G CA 1.040 46.097 45.100 -0.071 0.000 0.760 537 G HN 0.448 nan 8.290 nan 0.000 0.557 538 A N -0.926 121.788 122.820 -0.177 0.000 2.275 538 A HA 0.340 4.660 4.320 0.000 0.000 0.212 538 A C 1.142 178.585 177.584 -0.236 0.000 1.201 538 A CA 0.181 52.102 52.037 -0.193 0.000 0.843 538 A CB 0.099 18.973 19.000 -0.210 0.000 0.873 538 A HN 0.306 nan 8.150 nan 0.000 0.492 539 Q N 0.578 120.222 119.800 -0.260 0.000 2.214 539 Q HA 0.478 4.818 4.340 0.000 0.000 0.251 539 Q C -0.347 175.573 176.000 -0.133 0.000 0.936 539 Q CA -0.275 55.382 55.803 -0.242 0.000 0.894 539 Q CB 1.160 29.732 28.738 -0.276 0.000 1.252 539 Q HN 0.303 nan 8.270 nan 0.000 0.448 540 R N -0.757 119.684 120.500 -0.099 0.000 2.856 540 R HA 0.596 4.936 4.340 0.000 0.000 0.258 540 R C 0.668 176.947 176.300 -0.035 0.000 1.066 540 R CA -0.248 55.818 56.100 -0.058 0.000 1.045 540 R CB 0.779 31.052 30.300 -0.045 0.000 1.178 540 R HN 0.883 nan 8.270 nan 0.000 0.499 541 G N -0.516 108.273 108.800 -0.019 0.000 2.148 541 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 541 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 541 G C 0.793 175.700 174.900 0.012 0.000 0.981 541 G CA 0.755 45.854 45.100 -0.001 0.000 0.670 541 G HN 1.256 nan 8.290 nan 0.000 0.528 542 G N -0.646 108.153 108.800 -0.001 0.000 2.162 542 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 542 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 542 G C 0.369 175.276 174.900 0.013 0.000 0.976 542 G CA 1.427 46.532 45.100 0.008 0.000 0.655 542 G HN 1.430 nan 8.290 nan 0.000 0.533 543 K N 0.689 121.098 120.400 0.015 0.000 2.451 543 K HA 0.393 4.713 4.320 0.000 0.000 0.280 543 K C 0.565 177.140 176.600 -0.043 0.000 1.020 543 K CA 0.698 57.010 56.287 0.042 0.000 1.008 543 K CB 0.129 32.669 32.500 0.067 0.000 0.917 543 K HN 0.708 nan 8.250 nan 0.000 0.478 544 Q N 1.100 120.820 119.800 -0.133 0.000 2.534 544 Q HA 0.481 4.821 4.340 0.000 0.000 0.290 544 Q C -1.940 174.031 176.000 -0.047 0.000 0.991 544 Q CA -1.127 54.588 55.803 -0.145 0.000 0.783 544 Q CB 1.831 30.356 28.738 -0.355 0.000 1.470 544 Q HN 0.295 nan 8.270 nan 0.000 0.406 545 V N 1.821 121.779 119.914 0.072 0.000 2.495 545 V HA 0.649 4.769 4.120 0.000 0.000 0.298 545 V C -0.477 175.643 176.094 0.043 0.000 1.031 545 V CA 0.034 62.371 62.300 0.060 0.000 0.871 545 V CB 1.865 33.642 31.823 -0.078 0.000 0.988 545 V HN 0.979 nan 8.190 nan 0.000 0.432 546 S N 5.824 121.579 115.700 0.093 0.000 2.585 546 S HA 0.163 4.633 4.470 0.000 0.000 0.273 546 S C 0.896 175.520 174.600 0.041 0.000 1.339 546 S CA -0.128 58.118 58.200 0.077 0.000 1.028 546 S CB 1.248 64.510 63.200 0.103 0.000 0.906 546 S HN 0.868 nan 8.310 nan 0.000 0.528 547 L N 2.534 123.773 121.223 0.026 0.000 2.131 547 L HA 0.085 4.425 4.340 0.000 0.000 0.210 547 L C 2.553 179.433 176.870 0.016 0.000 1.092 547 L CA 2.147 56.993 54.840 0.011 0.000 0.759 547 L CB -1.471 40.591 42.059 0.004 0.000 0.903 547 L HN 0.968 nan 8.230 nan 0.000 0.435 548 A N -0.742 122.094 122.820 0.026 0.000 1.883 548 A HA -0.246 4.074 4.320 0.000 0.000 0.217 548 A C 2.054 179.675 177.584 0.061 0.000 1.186 548 A CA 2.016 54.068 52.037 0.026 0.000 0.624 548 A CB -0.853 18.156 19.000 0.016 0.000 0.822 548 A HN 0.483 nan 8.150 nan 0.000 0.444 549 D N -0.631 119.830 120.400 0.102 0.000 2.097 549 D HA -0.122 4.518 4.640 0.000 0.000 0.195 549 D C 1.834 178.206 176.300 0.120 0.000 0.989 549 D CA 1.242 55.378 54.000 0.228 0.000 0.827 549 D CB -0.381 40.592 40.800 0.289 0.000 0.966 549 D HN 0.302 nan 8.370 nan 0.000 0.456 550 L N 0.719 121.944 121.223 0.003 0.000 2.083 550 L HA -0.056 4.284 4.340 0.000 0.000 0.209 550 L C 2.102 178.935 176.870 -0.061 0.000 1.083 550 L CA 1.135 55.917 54.840 -0.096 0.000 0.752 550 L CB -0.438 41.565 42.059 -0.094 0.000 0.899 550 L HN 0.011 nan 8.230 nan 0.000 0.433 551 I N -1.823 118.744 120.570 -0.005 0.000 2.208 551 I HA -0.299 3.871 4.170 0.000 0.000 0.245 551 I C 2.271 178.417 176.117 0.048 0.000 1.097 551 I CA 1.194 62.504 61.300 0.017 0.000 1.363 551 I CB -0.325 37.686 38.000 0.018 0.000 1.051 551 I HN 0.060 nan 8.210 nan 0.000 0.413 552 V N 0.320 120.279 119.914 0.074 0.000 2.323 552 V HA -0.243 3.877 4.120 0.000 0.000 0.244 552 V C 2.327 178.489 176.094 0.114 0.000 1.041 552 V CA 1.411 63.794 62.300 0.139 0.000 1.025 552 V CB -0.499 31.448 31.823 0.206 0.000 0.656 552 V HN 0.339 nan 8.190 nan 0.000 0.451 553 L N 1.028 122.163 121.223 -0.147 0.000 2.079 553 L HA -0.127 4.213 4.340 0.000 0.000 0.210 553 L C 2.422 179.174 176.870 -0.196 0.000 1.081 553 L CA 2.384 56.916 54.840 -0.514 0.000 0.752 553 L CB -0.975 40.500 42.059 -0.974 0.000 0.896 553 L HN 0.244 nan 8.230 nan 0.000 0.433 554 A N -0.757 122.000 122.820 -0.105 0.000 1.933 554 A HA -0.046 4.274 4.320 0.000 0.000 0.218 554 A C 2.355 179.965 177.584 0.043 0.000 1.175 554 A CA 1.428 53.441 52.037 -0.040 0.000 0.628 554 A CB -1.494 17.491 19.000 -0.025 0.000 0.814 554 A HN 0.513 nan 8.150 nan 0.000 0.444 555 G N -0.797 108.093 108.800 0.150 0.000 2.422 555 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 555 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 555 G C 1.568 176.615 174.900 0.246 0.000 1.146 555 G CA 1.313 46.596 45.100 0.305 0.000 0.769 555 G HN 0.524 nan 8.290 nan 0.000 0.547 556 C N 0.970 120.438 119.300 0.281 0.000 2.413 556 C HA 0.113 4.573 4.460 0.000 0.000 0.276 556 C C 3.541 178.542 174.990 0.019 0.000 1.248 556 C CA 0.843 59.976 59.018 0.191 0.000 1.742 556 C CB -1.036 26.827 27.740 0.205 0.000 2.017 556 C HN 0.577 nan 8.230 nan 0.000 0.481 557 A N 0.883 123.695 122.820 -0.013 0.000 1.908 557 A HA 0.025 4.345 4.320 0.000 0.000 0.218 557 A C 2.411 179.964 177.584 -0.050 0.000 1.181 557 A CA 2.171 54.184 52.037 -0.039 0.000 0.627 557 A CB -1.260 17.709 19.000 -0.052 0.000 0.818 557 A HN 0.564 nan 8.150 nan 0.000 0.445 558 G N -0.653 108.114 108.800 -0.055 0.000 2.418 558 G HA2 -0.119 3.841 3.960 0.000 0.000 0.217 558 G HA3 -0.119 3.841 3.960 0.000 0.000 0.217 558 G C 1.508 176.317 174.900 -0.151 0.000 1.158 558 G CA 1.287 46.335 45.100 -0.087 0.000 0.771 558 G HN 0.333 nan 8.290 nan 0.000 0.545 559 V N 0.586 120.360 119.914 -0.233 0.000 2.358 559 V HA -0.137 3.983 4.120 0.000 0.000 0.246 559 V C 2.654 178.658 176.094 -0.149 0.000 1.047 559 V CA 2.085 64.215 62.300 -0.285 0.000 1.035 559 V CB -0.481 31.044 31.823 -0.496 0.000 0.658 559 V HN 0.448 nan 8.190 nan 0.000 0.452 560 E N -0.272 119.874 120.200 -0.091 0.000 2.085 560 E HA -0.315 4.035 4.350 0.000 0.000 0.194 560 E C 2.268 178.847 176.600 -0.035 0.000 0.994 560 E CA 1.553 57.928 56.400 -0.041 0.000 0.801 560 E CB -0.126 29.563 29.700 -0.019 0.000 0.743 560 E HN 0.497 nan 8.360 nan 0.000 0.453 561 Q N 0.787 120.559 119.800 -0.046 0.000 2.050 561 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 561 Q C 1.958 177.935 176.000 -0.039 0.000 0.980 561 Q CA 1.893 57.675 55.803 -0.036 0.000 0.840 561 Q CB -0.419 28.297 28.738 -0.037 0.000 0.898 561 Q HN 0.244 nan 8.270 nan 0.000 0.424 562 A N 0.394 123.171 122.820 -0.072 0.000 1.917 562 A HA -0.152 4.168 4.320 0.000 0.000 0.219 562 A C 2.307 179.863 177.584 -0.046 0.000 1.182 562 A CA 2.216 54.205 52.037 -0.080 0.000 0.633 562 A CB -1.292 17.618 19.000 -0.149 0.000 0.819 562 A HN 0.539 nan 8.150 nan 0.000 0.448 563 A N -0.543 122.251 122.820 -0.043 0.000 1.902 563 A HA -0.182 4.138 4.320 0.000 0.000 0.217 563 A C 2.152 179.789 177.584 0.088 0.000 1.181 563 A CA 2.028 54.076 52.037 0.019 0.000 0.623 563 A CB -0.450 18.553 19.000 0.006 0.000 0.818 563 A HN 0.557 nan 8.150 nan 0.000 0.443 564 K N -0.458 119.969 120.400 0.045 0.000 2.097 564 K HA -0.167 4.153 4.320 0.000 0.000 0.205 564 K C 1.563 178.182 176.600 0.030 0.000 1.050 564 K CA 1.395 57.705 56.287 0.039 0.000 0.938 564 K CB -0.188 32.321 32.500 0.016 0.000 0.718 564 K HN 0.406 nan 8.250 nan 0.000 0.442 565 N N 0.629 119.340 118.700 0.019 0.000 2.272 565 N HA -0.157 4.583 4.740 0.000 0.000 0.185 565 N C 1.189 176.719 175.510 0.034 0.000 1.014 565 N CA 1.327 54.386 53.050 0.016 0.000 0.870 565 N CB -0.165 38.322 38.487 0.001 0.000 0.975 565 N HN 0.259 nan 8.380 nan 0.000 0.433 566 A N -0.667 122.196 122.820 0.072 0.000 2.275 566 A HA 0.482 4.802 4.320 0.000 0.000 0.212 566 A C 1.307 178.950 177.584 0.098 0.000 1.201 566 A CA 0.550 52.660 52.037 0.121 0.000 0.843 566 A CB -0.169 18.952 19.000 0.202 0.000 0.873 566 A HN 0.271 nan 8.150 nan 0.000 0.492 567 G N -0.585 108.233 108.800 0.030 0.000 2.142 567 G HA2 -0.176 3.784 3.960 0.000 0.000 0.225 567 G HA3 -0.176 3.784 3.960 0.000 0.000 0.225 567 G C -0.187 174.594 174.900 -0.197 0.000 1.015 567 G CA 0.148 45.199 45.100 -0.082 0.000 0.716 567 G HN 0.683 nan 8.290 nan 0.000 0.508 568 H N -0.380 118.700 119.070 0.017 0.000 2.495 568 H HA 0.636 5.192 4.556 0.000 0.000 0.348 568 H C 0.134 175.469 175.328 0.012 0.000 1.113 568 H CA 0.055 56.115 56.048 0.020 0.000 1.195 568 H CB 2.052 31.830 29.762 0.027 0.000 1.521 568 H HN 0.508 nan 8.280 nan 0.000 0.509 569 A N 3.688 126.579 122.820 0.119 0.000 2.341 569 A HA 0.490 4.811 4.320 0.000 0.000 0.326 569 A C 0.023 177.654 177.584 0.079 0.000 1.402 569 A CA -0.547 51.534 52.037 0.073 0.000 0.957 569 A CB -0.407 18.618 19.000 0.043 0.000 1.151 569 A HN 0.428 nan 8.150 nan 0.000 0.533 570 V N -0.008 119.945 119.914 0.064 0.000 2.876 570 V HA 0.795 4.915 4.120 0.000 0.000 0.312 570 V C -0.231 175.886 176.094 0.039 0.000 1.085 570 V CA -0.612 61.719 62.300 0.051 0.000 0.945 570 V CB 1.612 33.461 31.823 0.042 0.000 1.017 570 V HN 0.512 nan 8.190 nan 0.000 0.428 571 T N 2.903 117.481 114.554 0.040 0.000 2.743 571 T HA 0.515 4.865 4.350 0.000 0.000 0.292 571 T C -0.080 174.654 174.700 0.056 0.000 0.972 571 T CA -0.257 61.869 62.100 0.043 0.000 0.967 571 T CB 1.177 70.072 68.868 0.044 0.000 0.926 571 T HN 0.693 nan 8.240 nan 0.000 0.459 572 V N 7.348 127.302 119.914 0.066 0.000 2.470 572 V HA 0.187 4.307 4.120 0.000 0.000 0.276 572 V C -1.784 174.390 176.094 0.134 0.000 1.040 572 V CA -1.648 60.715 62.300 0.105 0.000 1.008 572 V CB 0.150 32.048 31.823 0.124 0.000 0.990 572 V HN 0.711 nan 8.190 nan 0.000 0.477 573 P HA 0.213 nan 4.420 nan 0.000 0.268 573 P C -0.947 176.467 177.300 0.189 0.000 1.208 573 P CA 0.029 63.197 63.100 0.113 0.000 0.777 573 P CB 0.297 32.026 31.700 0.049 0.000 0.875 574 F N 1.025 120.976 119.950 0.003 0.000 2.604 574 F HA 0.609 5.136 4.527 0.000 0.000 0.316 574 F C -1.575 174.208 175.800 -0.028 0.000 1.136 574 F CA -0.842 57.152 58.000 -0.010 0.000 0.989 574 F CB 1.354 40.355 39.000 0.002 0.000 1.258 574 F HN 0.379 nan 8.300 nan 0.000 0.451 575 A N 8.002 130.248 122.820 -0.957 0.000 2.285 575 A HA 0.768 5.088 4.320 0.000 0.000 0.310 575 A C -2.818 174.128 177.584 -1.064 0.000 1.266 575 A CA -1.642 49.945 52.037 -0.751 0.000 0.832 575 A CB 0.438 19.182 19.000 -0.427 0.000 1.163 575 A HN 0.473 nan 8.150 nan 0.000 0.499 576 P HA 0.493 nan 4.420 nan 0.000 0.279 576 P C 0.772 177.958 177.300 -0.190 0.000 1.282 576 P CA 0.935 63.850 63.100 -0.309 0.000 0.788 576 P CB 0.945 32.676 31.700 0.051 0.000 1.139 577 G N -1.307 107.447 108.800 -0.077 0.000 2.227 577 G HA2 -0.146 3.814 3.960 0.000 0.000 0.168 577 G HA3 -0.146 3.814 3.960 0.000 0.000 0.168 577 G C 0.174 175.034 174.900 -0.068 0.000 1.006 577 G CA -0.522 44.530 45.100 -0.080 0.000 0.684 577 G HN 0.528 nan 8.290 nan 0.000 0.489 578 R N 0.732 121.202 120.500 -0.050 0.000 2.643 578 R HA 0.572 4.912 4.340 0.000 0.000 0.270 578 R C 0.496 176.801 176.300 0.010 0.000 1.061 578 R CA 0.788 56.873 56.100 -0.026 0.000 1.107 578 R CB 0.762 31.053 30.300 -0.015 0.000 0.999 578 R HN 0.562 nan 8.270 nan 0.000 0.460 579 A N 1.766 124.587 122.820 0.002 0.000 2.386 579 A HA 0.390 4.710 4.320 0.000 0.000 0.308 579 A C -1.212 176.381 177.584 0.015 0.000 1.128 579 A CA -0.945 51.105 52.037 0.020 0.000 0.789 579 A CB 1.292 20.291 19.000 -0.000 0.000 1.325 579 A HN 0.606 nan 8.150 nan 0.000 0.437 580 D N 1.343 121.758 120.400 0.024 0.000 2.274 580 D HA 0.519 5.159 4.640 0.000 0.000 0.239 580 D C 0.188 176.489 176.300 0.002 0.000 1.104 580 D CA 0.349 54.356 54.000 0.011 0.000 0.840 580 D CB 1.669 42.479 40.800 0.017 0.000 1.100 580 D HN 0.702 nan 8.370 nan 0.000 0.477 581 A N 2.033 124.848 122.820 -0.008 0.000 2.304 581 A HA 0.534 4.855 4.320 0.000 0.000 0.271 581 A C 0.657 178.234 177.584 -0.012 0.000 1.091 581 A CA -0.517 51.513 52.037 -0.012 0.000 0.812 581 A CB 0.509 19.499 19.000 -0.016 0.000 1.056 581 A HN 0.523 nan 8.150 nan 0.000 0.489 582 S N 0.151 115.845 115.700 -0.011 0.000 2.693 582 S HA 0.306 4.776 4.470 0.000 0.000 0.276 582 S C 0.811 175.404 174.600 -0.012 0.000 1.192 582 S CA -0.001 58.193 58.200 -0.010 0.000 0.994 582 S CB 1.146 64.343 63.200 -0.006 0.000 1.012 582 S HN 0.727 nan 8.310 nan 0.000 0.550 583 Q N 0.542 120.336 119.800 -0.011 0.000 2.124 583 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 583 Q C 1.516 177.515 176.000 -0.001 0.000 0.977 583 Q CA 2.006 57.802 55.803 -0.011 0.000 0.850 583 Q CB -0.530 28.202 28.738 -0.011 0.000 0.901 583 Q HN 0.860 nan 8.270 nan 0.000 0.429 584 E N -0.109 120.092 120.200 0.001 0.000 2.268 584 E HA -0.125 4.225 4.350 0.000 0.000 0.195 584 E C 1.031 177.636 176.600 0.007 0.000 0.995 584 E CA 0.873 57.277 56.400 0.007 0.000 0.836 584 E CB 0.058 29.762 29.700 0.006 0.000 0.763 584 E HN 0.480 nan 8.360 nan 0.000 0.491 585 Q N -0.225 119.576 119.800 0.000 0.000 2.222 585 Q HA 0.147 4.487 4.340 0.000 0.000 0.206 585 Q C -0.501 175.500 176.000 0.002 0.000 0.877 585 Q CA 0.236 56.036 55.803 -0.004 0.000 0.958 585 Q CB 0.844 29.573 28.738 -0.015 0.000 1.075 585 Q HN -0.017 nan 8.270 nan 0.000 0.483 586 T N 0.764 115.323 114.554 0.010 0.000 2.892 586 T HA 0.074 4.424 4.350 0.000 0.000 0.311 586 T C -1.016 173.705 174.700 0.035 0.000 1.033 586 T CA -0.736 61.374 62.100 0.017 0.000 0.991 586 T CB 1.178 70.043 68.868 -0.004 0.000 0.981 586 T HN 0.003 nan 8.240 nan 0.000 0.457 587 D N 3.292 123.727 120.400 0.060 0.000 2.346 587 D HA 0.077 4.717 4.640 0.000 0.000 0.260 587 D C 1.209 177.558 176.300 0.082 0.000 1.252 587 D CA -0.165 53.883 54.000 0.080 0.000 0.895 587 D CB 1.158 42.026 40.800 0.113 0.000 1.097 587 D HN 0.191 nan 8.370 nan 0.000 0.489 588 V N 4.366 124.323 119.914 0.070 0.000 2.427 588 V HA -0.212 3.908 4.120 0.000 0.000 0.248 588 V C 1.943 178.103 176.094 0.109 0.000 1.051 588 V CA 1.600 63.944 62.300 0.073 0.000 1.048 588 V CB -0.285 31.570 31.823 0.054 0.000 0.666 588 V HN 0.491 nan 8.190 nan 0.000 0.456 589 E N -0.414 119.850 120.200 0.107 0.000 2.158 589 E HA -0.097 4.253 4.350 0.000 0.000 0.191 589 E C 2.368 179.045 176.600 0.129 0.000 0.982 589 E CA 1.070 57.540 56.400 0.116 0.000 0.823 589 E CB -0.322 29.438 29.700 0.100 0.000 0.766 589 E HN 0.474 nan 8.360 nan 0.000 0.468 590 S N -0.003 115.777 115.700 0.134 0.000 2.383 590 S HA -0.130 4.340 4.470 0.000 0.000 0.227 590 S C 1.834 176.529 174.600 0.159 0.000 1.026 590 S CA 0.932 59.220 58.200 0.147 0.000 0.981 590 S CB -0.087 63.211 63.200 0.163 0.000 0.818 590 S HN 0.152 nan 8.310 nan 0.000 0.472 591 M N 1.735 121.437 119.600 0.170 0.000 2.460 591 M HA 0.267 4.748 4.480 0.000 0.000 0.263 591 M C 1.791 178.296 176.300 0.340 0.000 1.071 591 M CA 0.951 56.385 55.300 0.223 0.000 1.096 591 M CB -0.873 31.826 32.600 0.166 0.000 1.408 591 M HN 0.366 nan 8.290 nan 0.000 0.463 592 A N -0.551 122.429 122.820 0.267 0.000 1.972 592 A HA -0.110 4.210 4.320 0.000 0.000 0.219 592 A C 2.067 179.710 177.584 0.099 0.000 1.169 592 A CA 1.881 54.065 52.037 0.246 0.000 0.635 592 A CB -1.491 17.611 19.000 0.170 0.000 0.810 592 A HN 0.586 nan 8.150 nan 0.000 0.446 593 V N -2.243 117.720 119.914 0.082 0.000 2.913 593 V HA -0.061 4.059 4.120 0.000 0.000 0.260 593 V C 1.816 177.889 176.094 -0.035 0.000 1.098 593 V CA 1.645 63.949 62.300 0.006 0.000 1.121 593 V CB -0.842 30.989 31.823 0.015 0.000 0.714 593 V HN 0.460 nan 8.190 nan 0.000 0.487 594 L N 0.273 121.514 121.223 0.030 0.000 2.591 594 L HA 0.238 4.579 4.340 0.000 0.000 0.228 594 L C 1.317 178.003 176.870 -0.307 0.000 1.133 594 L CA 0.252 55.096 54.840 0.006 0.000 0.880 594 L CB -0.360 41.824 42.059 0.209 0.000 1.033 594 L HN 0.452 nan 8.230 nan 0.000 0.450 595 E N 3.517 123.286 120.200 -0.718 0.000 2.417 595 E HA 0.003 4.353 4.350 0.000 0.000 0.261 595 E C -1.944 174.283 176.600 -0.622 0.000 1.000 595 E CA -1.480 54.068 56.400 -1.420 0.000 0.919 595 E CB 0.725 29.610 29.700 -1.358 0.000 0.955 595 E HN -0.015 nan 8.360 nan 0.000 0.455 596 P HA 0.001 nan 4.420 nan 0.000 0.247 596 P C 0.782 178.121 177.300 0.065 0.000 1.756 596 P CA -0.080 62.958 63.100 -0.104 0.000 1.117 596 P CB 0.419 32.130 31.700 0.018 0.000 1.869 597 V N 0.508 120.426 119.914 0.006 0.000 2.720 597 V HA 0.093 4.213 4.120 0.000 0.000 0.256 597 V C 0.839 177.010 176.094 0.128 0.000 1.082 597 V CA 1.225 63.592 62.300 0.112 0.000 1.101 597 V CB -1.100 30.736 31.823 0.021 0.000 0.693 597 V HN 0.413 nan 8.190 nan 0.000 0.479 598 A N 0.324 123.198 122.820 0.090 0.000 2.343 598 A HA 0.706 5.026 4.320 0.000 0.000 0.308 598 A C -1.130 176.578 177.584 0.207 0.000 1.092 598 A CA -0.213 51.895 52.037 0.117 0.000 0.751 598 A CB 1.459 20.470 19.000 0.018 0.000 1.203 598 A HN 0.339 nan 8.150 nan 0.000 0.452 599 D N 2.243 122.828 120.400 0.308 0.000 2.330 599 D HA 0.362 5.002 4.640 0.000 0.000 0.249 599 D C 1.152 177.602 176.300 0.250 0.000 1.306 599 D CA 0.347 54.552 54.000 0.341 0.000 0.956 599 D CB 0.961 42.025 40.800 0.440 0.000 1.261 599 D HN 0.509 nan 8.370 nan 0.000 0.544 600 G N 1.425 110.268 108.800 0.072 0.000 2.448 600 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 600 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 600 G C 1.226 176.014 174.900 -0.186 0.000 1.127 600 G CA 0.389 45.428 45.100 -0.102 0.000 0.766 600 G HN 0.497 nan 8.290 nan 0.000 0.552 601 F N 0.117 120.095 119.950 0.046 0.000 2.333 601 F HA 0.115 4.642 4.527 0.000 0.000 0.300 601 F C 2.624 178.284 175.800 -0.234 0.000 1.083 601 F CA 0.778 58.680 58.000 -0.163 0.000 1.395 601 F CB 0.192 39.029 39.000 -0.273 0.000 1.056 601 F HN 0.005 nan 8.300 nan 0.000 0.529 602 R N -0.261 120.307 120.500 0.114 0.000 2.509 602 R HA 0.092 4.432 4.340 0.000 0.000 0.300 602 R C -0.005 176.368 176.300 0.122 0.000 0.985 602 R CA -0.178 55.976 56.100 0.090 0.000 1.092 602 R CB -0.050 30.362 30.300 0.186 0.000 1.237 602 R HN -0.035 nan 8.270 nan 0.000 0.546 603 N N 1.013 119.767 118.700 0.089 0.000 2.725 603 N HA -0.279 4.461 4.740 0.000 0.000 0.251 603 N C -1.641 173.987 175.510 0.197 0.000 1.031 603 N CA 0.953 54.068 53.050 0.107 0.000 0.720 603 N CB -0.964 37.574 38.487 0.086 0.000 0.930 603 N HN 0.357 nan 8.380 nan 0.000 0.543 604 Y N -0.011 120.338 120.300 0.082 0.000 2.376 604 Y HA 0.679 5.229 4.550 0.000 0.000 0.340 604 Y C -0.855 175.108 175.900 0.104 0.000 0.965 604 Y CA -0.892 57.267 58.100 0.098 0.000 1.078 604 Y CB 1.113 39.644 38.460 0.118 0.000 1.193 604 Y HN 0.113 nan 8.280 nan 0.000 0.452 605 L N 7.552 128.442 121.223 -0.555 0.000 2.482 605 L HA 0.372 4.712 4.340 0.000 0.000 0.269 605 L C 0.651 177.093 176.870 -0.713 0.000 0.967 605 L CA -0.625 53.936 54.840 -0.466 0.000 0.851 605 L CB 2.189 44.148 42.059 -0.166 0.000 1.242 605 L HN 0.723 nan 8.230 nan 0.000 0.404 606 K N 1.951 121.974 120.400 -0.629 0.000 2.097 606 K HA 0.056 4.376 4.320 0.000 0.000 0.205 606 K C 0.700 177.167 176.600 -0.222 0.000 1.050 606 K CA 1.337 57.417 56.287 -0.345 0.000 0.938 606 K CB 0.302 32.814 32.500 0.020 0.000 0.718 606 K HN 0.807 nan 8.250 nan 0.000 0.442 607 G N -0.487 108.095 108.800 -0.364 0.000 2.870 607 G HA2 0.319 4.279 3.960 0.000 0.000 0.299 607 G HA3 0.319 4.279 3.960 0.000 0.000 0.299 607 G C -1.565 172.770 174.900 -0.941 0.000 1.324 607 G CA -0.764 44.012 45.100 -0.540 0.000 0.808 607 G HN -0.093 nan 8.290 nan 0.000 0.535 608 K N 0.300 120.256 120.400 -0.740 0.000 2.183 608 K HA 0.469 4.789 4.320 0.000 0.000 0.274 608 K C -1.347 174.870 176.600 -0.638 0.000 1.009 608 K CA -0.098 55.848 56.287 -0.568 0.000 0.888 608 K CB 1.481 33.825 32.500 -0.260 0.000 1.078 608 K HN 0.530 nan 8.250 nan 0.000 0.459 609 Y N 0.113 120.382 120.300 -0.052 0.000 2.633 609 Y HA 0.245 4.795 4.550 0.000 0.000 0.339 609 Y C 1.459 177.330 175.900 -0.049 0.000 1.045 609 Y CA -1.172 56.896 58.100 -0.053 0.000 1.098 609 Y CB 1.322 39.742 38.460 -0.066 0.000 1.296 609 Y HN 0.486 nan 8.280 nan 0.000 0.494 610 R N -0.762 119.815 120.500 0.128 0.000 2.200 610 R HA 0.178 4.519 4.340 0.000 0.000 0.208 610 R C -0.618 175.694 176.300 0.019 0.000 1.033 610 R CA 0.335 56.461 56.100 0.044 0.000 1.000 610 R CB -0.481 29.831 30.300 0.019 0.000 0.906 610 R HN 0.264 nan 8.270 nan 0.000 0.462 611 V N 3.672 123.598 119.914 0.020 0.000 2.461 611 V HA 0.245 4.365 4.120 0.000 0.000 0.275 611 V C -2.082 174.018 176.094 0.010 0.000 1.047 611 V CA -2.160 60.123 62.300 -0.029 0.000 0.955 611 V CB 1.062 32.827 31.823 -0.098 0.000 0.988 611 V HN 0.137 nan 8.190 nan 0.000 0.471 612 P HA 0.113 nan 4.420 nan 0.000 0.267 612 P C 0.670 177.970 177.300 -0.000 0.000 1.200 612 P CA 0.011 63.114 63.100 0.006 0.000 0.772 612 P CB 0.723 32.422 31.700 -0.002 0.000 0.855 613 A N 3.597 126.426 122.820 0.015 0.000 1.940 613 A HA -0.225 4.095 4.320 0.000 0.000 0.219 613 A C 1.886 179.448 177.584 -0.036 0.000 1.176 613 A CA 1.692 53.734 52.037 0.008 0.000 0.631 613 A CB -0.980 18.033 19.000 0.021 0.000 0.814 613 A HN 0.702 nan 8.150 nan 0.000 0.446 614 E N 0.321 120.486 120.200 -0.057 0.000 2.153 614 E HA -0.125 4.226 4.350 0.000 0.000 0.194 614 E C 1.840 178.369 176.600 -0.118 0.000 0.988 614 E CA 1.620 57.953 56.400 -0.112 0.000 0.811 614 E CB -0.870 28.745 29.700 -0.141 0.000 0.746 614 E HN 0.355 nan 8.360 nan 0.000 0.466 615 V N 1.852 121.713 119.914 -0.087 0.000 2.358 615 V HA -0.208 3.912 4.120 0.000 0.000 0.246 615 V C 2.667 178.708 176.094 -0.089 0.000 1.047 615 V CA 1.386 63.632 62.300 -0.089 0.000 1.035 615 V CB -0.524 31.251 31.823 -0.080 0.000 0.658 615 V HN 0.193 nan 8.190 nan 0.000 0.452 616 L N -0.642 120.535 121.223 -0.078 0.000 2.141 616 L HA -0.162 4.178 4.340 0.000 0.000 0.209 616 L C 2.439 179.277 176.870 -0.053 0.000 1.094 616 L CA 1.086 55.882 54.840 -0.072 0.000 0.763 616 L CB -0.609 41.413 42.059 -0.062 0.000 0.908 616 L HN 0.352 nan 8.230 nan 0.000 0.437 617 L N -0.325 120.852 121.223 -0.078 0.000 1.994 617 L HA -0.163 4.177 4.340 0.000 0.000 0.208 617 L C 2.390 179.219 176.870 -0.069 0.000 1.071 617 L CA 1.728 56.495 54.840 -0.122 0.000 0.745 617 L CB -0.424 41.522 42.059 -0.189 0.000 0.892 617 L HN -0.101 nan 8.230 nan 0.000 0.431 618 V N 0.129 119.996 119.914 -0.078 0.000 2.407 618 V HA -0.306 3.814 4.120 0.000 0.000 0.248 618 V C 2.338 178.425 176.094 -0.012 0.000 1.055 618 V CA 1.928 64.198 62.300 -0.050 0.000 1.049 618 V CB -0.837 30.925 31.823 -0.101 0.000 0.662 618 V HN 0.632 nan 8.190 nan 0.000 0.455 619 D N 0.308 120.689 120.400 -0.031 0.000 2.092 619 D HA -0.263 4.377 4.640 0.000 0.000 0.193 619 D C 2.129 178.443 176.300 0.024 0.000 0.994 619 D CA 1.769 55.752 54.000 -0.028 0.000 0.828 619 D CB -0.138 40.623 40.800 -0.066 0.000 0.963 619 D HN 0.259 nan 8.370 nan 0.000 0.450 620 K N 0.306 120.748 120.400 0.070 0.000 2.057 620 K HA -0.012 4.308 4.320 0.000 0.000 0.207 620 K C 1.850 178.605 176.600 0.258 0.000 1.049 620 K CA 1.570 57.959 56.287 0.170 0.000 0.931 620 K CB -0.787 31.867 32.500 0.256 0.000 0.714 620 K HN 0.167 nan 8.250 nan 0.000 0.440 621 A N 0.715 123.715 122.820 0.299 0.000 1.902 621 A HA -0.215 4.105 4.320 0.000 0.000 0.217 621 A C 2.236 179.918 177.584 0.163 0.000 1.181 621 A CA 1.734 53.960 52.037 0.315 0.000 0.623 621 A CB -0.705 18.479 19.000 0.306 0.000 0.818 621 A HN 0.483 nan 8.150 nan 0.000 0.443 622 Q N -0.088 119.768 119.800 0.094 0.000 2.084 622 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 622 Q C 2.085 178.122 176.000 0.062 0.000 0.978 622 Q CA 1.642 57.478 55.803 0.055 0.000 0.844 622 Q CB -0.321 28.424 28.738 0.013 0.000 0.898 622 Q HN 0.715 nan 8.270 nan 0.000 0.426 623 L N 0.281 121.535 121.223 0.051 0.000 2.131 623 L HA -0.155 4.185 4.340 0.000 0.000 0.210 623 L C 2.308 179.226 176.870 0.079 0.000 1.092 623 L CA 0.630 55.485 54.840 0.026 0.000 0.759 623 L CB -0.282 41.772 42.059 -0.007 0.000 0.903 623 L HN 0.190 nan 8.230 nan 0.000 0.435 624 L N -0.171 121.121 121.223 0.115 0.000 2.610 624 L HA -0.038 4.302 4.340 0.000 0.000 0.232 624 L C 1.221 178.168 176.870 0.128 0.000 1.149 624 L CA 0.732 55.651 54.840 0.132 0.000 0.872 624 L CB -0.692 41.404 42.059 0.063 0.000 0.992 624 L HN 0.563 nan 8.230 nan 0.000 0.447 625 T N -3.020 111.611 114.554 0.128 0.000 4.458 625 T HA -0.235 4.116 4.350 0.000 0.000 0.317 625 T C -0.016 174.737 174.700 0.089 0.000 0.916 625 T CA 0.487 62.655 62.100 0.112 0.000 2.068 625 T CB -2.666 66.279 68.868 0.129 0.000 1.908 625 T HN 0.198 nan 8.240 nan 0.000 0.934 626 L N 1.918 123.199 121.223 0.096 0.000 2.350 626 L HA 0.638 4.978 4.340 0.000 0.000 0.275 626 L C 1.366 178.306 176.870 0.117 0.000 1.099 626 L CA -0.509 54.395 54.840 0.105 0.000 0.808 626 L CB 1.406 43.545 42.059 0.134 0.000 1.149 626 L HN 0.564 nan 8.230 nan 0.000 0.442 627 S N 1.561 117.349 115.700 0.146 0.000 2.624 627 S HA 0.347 4.817 4.470 0.000 0.000 0.263 627 S C 1.101 175.838 174.600 0.228 0.000 1.287 627 S CA -0.135 58.194 58.200 0.214 0.000 0.990 627 S CB 1.469 64.837 63.200 0.281 0.000 0.950 627 S HN 0.695 nan 8.310 nan 0.000 0.561 628 A N 1.020 124.049 122.820 0.349 0.000 1.902 628 A HA 0.098 4.418 4.320 0.000 0.000 0.217 628 A C -0.385 177.382 177.584 0.305 0.000 1.181 628 A CA 1.402 53.617 52.037 0.297 0.000 0.623 628 A CB -2.156 17.044 19.000 0.334 0.000 0.818 628 A HN 0.727 nan 8.150 nan 0.000 0.443 629 P HA -0.143 nan 4.420 nan 0.000 0.215 629 P C 1.145 178.571 177.300 0.210 0.000 1.153 629 P CA 1.477 64.740 63.100 0.271 0.000 0.853 629 P CB -0.067 31.775 31.700 0.237 0.000 0.788 630 E N -0.831 119.475 120.200 0.177 0.000 2.051 630 E HA -0.198 4.152 4.350 0.000 0.000 0.192 630 E C 2.021 178.712 176.600 0.150 0.000 0.991 630 E CA 1.107 57.576 56.400 0.115 0.000 0.799 630 E CB -0.593 29.161 29.700 0.090 0.000 0.748 630 E HN 0.210 nan 8.360 nan 0.000 0.449 631 M N 0.760 120.508 119.600 0.247 0.000 2.108 631 M HA -0.194 4.286 4.480 0.000 0.000 0.261 631 M C 1.959 178.469 176.300 0.349 0.000 1.066 631 M CA 1.672 57.210 55.300 0.397 0.000 1.107 631 M CB -0.139 32.703 32.600 0.403 0.000 1.356 631 M HN 0.025 nan 8.290 nan 0.000 0.406 632 T N -0.039 114.691 114.554 0.293 0.000 2.701 632 T HA -0.136 4.214 4.350 0.000 0.000 0.263 632 T C 1.710 176.474 174.700 0.107 0.000 1.040 632 T CA 1.641 63.865 62.100 0.207 0.000 1.147 632 T CB -0.478 68.603 68.868 0.356 0.000 0.865 632 T HN 0.333 nan 8.240 nan 0.000 0.426 633 V N 1.368 121.274 119.914 -0.013 0.000 2.427 633 V HA -0.072 4.048 4.120 0.000 0.000 0.248 633 V C 2.312 178.535 176.094 0.215 0.000 1.051 633 V CA 1.317 63.575 62.300 -0.070 0.000 1.048 633 V CB -0.410 31.134 31.823 -0.465 0.000 0.666 633 V HN 0.346 nan 8.190 nan 0.000 0.456 634 L N -0.355 120.949 121.223 0.134 0.000 2.017 634 L HA -0.150 4.191 4.340 0.000 0.000 0.208 634 L C 2.220 179.202 176.870 0.187 0.000 1.073 634 L CA 2.436 57.360 54.840 0.140 0.000 0.745 634 L CB -0.674 41.369 42.059 -0.027 0.000 0.894 634 L HN 0.374 nan 8.230 nan 0.000 0.432 635 L N -0.954 120.344 121.223 0.124 0.000 2.017 635 L HA -0.056 4.284 4.340 0.000 0.000 0.208 635 L C 2.335 178.868 176.870 -0.561 0.000 1.073 635 L CA 1.708 56.458 54.840 -0.152 0.000 0.745 635 L CB -1.007 40.840 42.059 -0.353 0.000 0.894 635 L HN 0.378 nan 8.230 nan 0.000 0.432 636 G N -0.900 107.505 108.800 -0.658 0.000 2.469 636 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 636 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 636 G C 1.416 176.055 174.900 -0.435 0.000 1.150 636 G CA 0.727 45.242 45.100 -0.974 0.000 0.763 636 G HN 0.577 nan 8.290 nan 0.000 0.561 637 G N 0.654 109.448 108.800 -0.009 0.000 2.394 637 G HA2 -0.062 3.898 3.960 0.000 0.000 0.214 637 G HA3 -0.062 3.898 3.960 0.000 0.000 0.214 637 G C 1.814 176.542 174.900 -0.287 0.000 1.176 637 G CA 0.592 45.573 45.100 -0.198 0.000 0.786 637 G HN 0.403 nan 8.290 nan 0.000 0.533 638 L N 0.018 121.183 121.223 -0.095 0.000 2.043 638 L HA -0.119 4.221 4.340 0.000 0.000 0.212 638 L C 3.209 179.943 176.870 -0.228 0.000 1.075 638 L CA 0.889 55.643 54.840 -0.143 0.000 0.752 638 L CB -0.338 41.603 42.059 -0.197 0.000 0.891 638 L HN 0.071 nan 8.230 nan 0.000 0.432 639 R N 0.016 120.317 120.500 -0.331 0.000 2.096 639 R HA -0.153 4.188 4.340 0.000 0.000 0.240 639 R C 2.173 178.335 176.300 -0.231 0.000 1.139 639 R CA 1.920 57.821 56.100 -0.332 0.000 0.952 639 R CB -1.104 28.882 30.300 -0.524 0.000 0.854 639 R HN 0.484 nan 8.270 nan 0.000 0.436 640 V N -1.766 118.008 119.914 -0.233 0.000 3.129 640 V HA 0.052 4.172 4.120 0.000 0.000 0.259 640 V C 2.010 178.017 176.094 -0.144 0.000 1.116 640 V CA 0.918 63.120 62.300 -0.163 0.000 1.127 640 V CB -0.480 31.249 31.823 -0.157 0.000 0.742 640 V HN 0.083 nan 8.190 nan 0.000 0.474 641 L N 1.532 122.648 121.223 -0.178 0.000 2.492 641 L HA 0.417 4.757 4.340 0.000 0.000 0.223 641 L C 1.836 178.647 176.870 -0.098 0.000 1.132 641 L CA 0.912 55.660 54.840 -0.154 0.000 0.850 641 L CB -0.618 41.321 42.059 -0.201 0.000 0.966 641 L HN 0.626 nan 8.230 nan 0.000 0.454 642 G N -0.197 108.550 108.800 -0.089 0.000 2.165 642 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 642 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 642 G C 0.720 175.599 174.900 -0.035 0.000 1.035 642 G CA 0.165 45.233 45.100 -0.053 0.000 0.744 642 G HN 0.383 nan 8.290 nan 0.000 0.501 643 A N -0.541 122.246 122.820 -0.056 0.000 2.208 643 A HA 0.300 4.621 4.320 0.000 0.000 0.209 643 A C 1.201 178.778 177.584 -0.011 0.000 1.161 643 A CA 0.594 52.615 52.037 -0.027 0.000 0.782 643 A CB -0.119 18.832 19.000 -0.083 0.000 0.816 643 A HN 0.471 nan 8.150 nan 0.000 0.477 644 N N 0.436 119.123 118.700 -0.021 0.000 2.412 644 N HA 0.168 4.908 4.740 0.000 0.000 0.254 644 N C -0.087 175.451 175.510 0.045 0.000 1.232 644 N CA 0.165 53.223 53.050 0.013 0.000 0.880 644 N CB 0.646 39.135 38.487 0.003 0.000 1.076 644 N HN 0.038 nan 8.380 nan 0.000 0.458 645 V N 1.533 121.495 119.914 0.080 0.000 2.694 645 V HA 0.146 4.266 4.120 0.000 0.000 0.306 645 V C 1.557 177.697 176.094 0.078 0.000 1.054 645 V CA 1.065 63.411 62.300 0.076 0.000 1.161 645 V CB 0.371 32.245 31.823 0.084 0.000 0.916 645 V HN 0.981 nan 8.190 nan 0.000 0.490 646 G N 3.681 112.517 108.800 0.060 0.000 2.168 646 G HA2 -0.325 3.635 3.960 0.000 0.000 0.257 646 G HA3 -0.325 3.635 3.960 0.000 0.000 0.257 646 G C 0.331 175.248 174.900 0.028 0.000 0.997 646 G CA 0.499 45.629 45.100 0.051 0.000 0.708 646 G HN 1.066 nan 8.290 nan 0.000 0.520 647 Q N -1.401 118.413 119.800 0.023 0.000 2.461 647 Q HA -0.177 4.163 4.340 0.000 0.000 0.273 647 Q C 0.943 176.936 176.000 -0.012 0.000 1.163 647 Q CA 1.398 57.206 55.803 0.008 0.000 0.929 647 Q CB -2.007 26.738 28.738 0.012 0.000 1.334 647 Q HN 1.433 nan 8.270 nan 0.000 0.499 648 S N -0.291 115.395 115.700 -0.025 0.000 2.558 648 S HA 0.062 4.532 4.470 0.000 0.000 0.288 648 S C 1.138 175.691 174.600 -0.079 0.000 1.318 648 S CA -0.152 57.990 58.200 -0.097 0.000 1.056 648 S CB 0.534 63.679 63.200 -0.093 0.000 0.853 648 S HN 0.334 nan 8.310 nan 0.000 0.505 649 R N 2.303 122.736 120.500 -0.112 0.000 2.317 649 R HA 0.067 4.407 4.340 0.000 0.000 0.208 649 R C -0.163 176.207 176.300 0.117 0.000 0.914 649 R CA -0.010 56.104 56.100 0.023 0.000 1.060 649 R CB -0.429 29.926 30.300 0.092 0.000 1.015 649 R HN 0.655 nan 8.270 nan 0.000 0.498 650 H N 1.045 120.175 119.070 0.100 0.000 3.145 650 H HA 0.075 4.631 4.556 0.000 0.000 0.288 650 H C 1.530 176.824 175.328 -0.056 0.000 0.969 650 H CA 0.955 57.067 56.048 0.106 0.000 1.444 650 H CB 0.190 30.017 29.762 0.109 0.000 1.500 650 H HN 0.466 nan 8.280 nan 0.000 0.552 651 G N 2.615 111.358 108.800 -0.095 0.000 2.179 651 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 651 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 651 G C 0.366 174.708 174.900 -0.931 0.000 0.977 651 G CA 0.236 44.795 45.100 -0.902 0.000 0.641 651 G HN 0.552 nan 8.290 nan 0.000 0.533 652 V N 1.922 121.625 119.914 -0.351 0.000 2.055 652 V HA 0.317 4.437 4.120 0.000 0.000 0.248 652 V C 0.618 176.666 176.094 -0.076 0.000 1.476 652 V CA 0.038 62.237 62.300 -0.168 0.000 1.417 652 V CB -0.896 30.919 31.823 -0.014 0.000 1.465 652 V HN 0.337 nan 8.190 nan 0.000 0.502 653 F N 1.998 121.746 119.950 -0.337 0.000 2.640 653 F HA 0.421 4.948 4.527 0.000 0.000 0.354 653 F C 0.860 176.265 175.800 -0.659 0.000 1.213 653 F CA -0.226 57.126 58.000 -1.080 0.000 1.314 653 F CB 0.426 38.700 39.000 -1.211 0.000 1.679 653 F HN 0.371 nan 8.300 nan 0.000 0.622 654 T N -0.123 114.411 114.554 -0.033 0.000 2.932 654 T HA 0.553 4.903 4.350 0.000 0.000 0.318 654 T C 0.024 174.899 174.700 0.290 0.000 1.265 654 T CA -0.223 61.958 62.100 0.134 0.000 1.036 654 T CB 1.707 70.593 68.868 0.030 0.000 1.209 654 T HN 0.265 nan 8.240 nan 0.000 0.484 655 A N 3.039 126.002 122.820 0.237 0.000 2.387 655 A HA 0.342 4.662 4.320 0.000 0.000 0.234 655 A C 0.807 178.449 177.584 0.097 0.000 1.253 655 A CA -0.206 51.932 52.037 0.168 0.000 0.894 655 A CB -0.068 19.015 19.000 0.140 0.000 0.963 655 A HN 0.685 nan 8.150 nan 0.000 0.508 656 R N 0.615 121.161 120.500 0.078 0.000 2.748 656 R HA 0.388 4.728 4.340 0.000 0.000 0.283 656 R C -0.513 175.800 176.300 0.022 0.000 1.507 656 R CA -0.437 55.690 56.100 0.043 0.000 1.666 656 R CB 0.156 30.478 30.300 0.036 0.000 1.237 656 R HN 0.363 nan 8.270 nan 0.000 0.633 657 E N 1.951 122.166 120.200 0.025 0.000 2.437 657 E HA -0.124 4.226 4.350 0.000 0.000 0.263 657 E C -0.222 176.368 176.600 -0.017 0.000 1.030 657 E CA 0.605 57.004 56.400 -0.002 0.000 0.934 657 E CB 0.461 30.166 29.700 0.009 0.000 0.943 657 E HN 0.528 nan 8.360 nan 0.000 0.444 658 Q N -1.322 118.452 119.800 -0.044 0.000 2.424 658 Q HA -0.255 4.085 4.340 0.000 0.000 0.234 658 Q C -1.026 174.943 176.000 -0.053 0.000 0.748 658 Q CA 0.651 56.421 55.803 -0.055 0.000 1.286 658 Q CB -1.634 27.081 28.738 -0.037 0.000 1.494 658 Q HN 0.501 nan 8.270 nan 0.000 0.683 659 A N 0.757 123.552 122.820 -0.043 0.000 2.317 659 A HA 0.647 4.967 4.320 0.000 0.000 0.327 659 A C -0.438 177.116 177.584 -0.050 0.000 1.178 659 A CA -0.558 51.462 52.037 -0.029 0.000 0.817 659 A CB 0.949 19.952 19.000 0.005 0.000 1.189 659 A HN 0.198 nan 8.150 nan 0.000 0.489 660 L N 3.808 125.001 121.223 -0.051 0.000 2.334 660 L HA 0.488 4.828 4.340 0.000 0.000 0.286 660 L C 0.515 177.441 176.870 0.093 0.000 1.108 660 L CA 0.734 55.537 54.840 -0.061 0.000 0.875 660 L CB -0.122 41.826 42.059 -0.185 0.000 1.246 660 L HN 0.839 nan 8.230 nan 0.000 0.439 661 T N 0.139 114.739 114.554 0.075 0.000 2.887 661 T HA 0.379 4.729 4.350 0.000 0.000 0.292 661 T C 0.628 175.089 174.700 -0.398 0.000 1.087 661 T CA -0.503 61.604 62.100 0.011 0.000 1.009 661 T CB 1.198 70.063 68.868 -0.005 0.000 1.203 661 T HN 0.492 nan 8.240 nan 0.000 0.518 662 N N 0.098 118.509 118.700 -0.481 0.000 2.421 662 N HA 0.010 4.750 4.740 0.000 0.000 0.201 662 N C 0.340 175.739 175.510 -0.185 0.000 1.198 662 N CA 0.030 52.723 53.050 -0.595 0.000 0.838 662 N CB -0.434 37.904 38.487 -0.248 0.000 1.011 662 N HN 0.555 nan 8.380 nan 0.000 0.463 663 D N 0.753 121.053 120.400 -0.167 0.000 2.158 663 D HA -0.180 4.460 4.640 0.000 0.000 0.197 663 D C 1.259 177.482 176.300 -0.128 0.000 0.995 663 D CA 0.713 54.659 54.000 -0.090 0.000 0.846 663 D CB -0.406 40.359 40.800 -0.058 0.000 0.941 663 D HN 0.340 nan 8.370 nan 0.000 0.456 664 F N 0.492 120.211 119.950 -0.385 0.000 2.087 664 F HA -0.282 4.245 4.527 0.000 0.000 0.299 664 F C 1.939 177.515 175.800 -0.374 0.000 1.100 664 F CA 1.603 59.318 58.000 -0.475 0.000 1.226 664 F CB -0.477 38.007 39.000 -0.859 0.000 0.983 664 F HN -0.086 nan 8.300 nan 0.000 0.479 665 F N -0.653 119.260 119.950 -0.061 0.000 2.149 665 F HA -0.108 4.420 4.527 0.000 0.000 0.294 665 F C 2.322 178.057 175.800 -0.108 0.000 1.095 665 F CA 1.133 59.086 58.000 -0.078 0.000 1.276 665 F CB -1.199 37.833 39.000 0.054 0.000 1.023 665 F HN -0.244 nan 8.300 nan 0.000 0.480 666 V N 0.589 120.554 119.914 0.086 0.000 2.287 666 V HA -0.302 3.819 4.120 0.000 0.000 0.248 666 V C 2.096 178.178 176.094 -0.020 0.000 1.053 666 V CA 2.044 64.366 62.300 0.037 0.000 1.027 666 V CB -0.620 31.226 31.823 0.038 0.000 0.646 666 V HN 0.372 nan 8.190 nan 0.000 0.447 667 N N -0.215 118.424 118.700 -0.101 0.000 2.207 667 N HA -0.066 4.674 4.740 0.000 0.000 0.182 667 N C 1.733 177.069 175.510 -0.290 0.000 1.020 667 N CA 1.008 53.959 53.050 -0.164 0.000 0.858 667 N CB -0.403 37.901 38.487 -0.305 0.000 0.991 667 N HN 0.345 nan 8.380 nan 0.000 0.427 668 L N 1.520 122.482 121.223 -0.435 0.000 2.043 668 L HA -0.074 4.266 4.340 0.000 0.000 0.212 668 L C 1.711 178.485 176.870 -0.160 0.000 1.075 668 L CA 1.535 56.115 54.840 -0.434 0.000 0.752 668 L CB -0.588 41.154 42.059 -0.528 0.000 0.891 668 L HN 0.131 nan 8.230 nan 0.000 0.432 669 L N -0.687 120.490 121.223 -0.076 0.000 2.591 669 L HA 0.064 4.404 4.340 0.000 0.000 0.228 669 L C 0.249 177.134 176.870 0.026 0.000 1.133 669 L CA -0.214 54.624 54.840 -0.002 0.000 0.880 669 L CB -0.527 41.552 42.059 0.034 0.000 1.033 669 L HN 0.191 nan 8.230 nan 0.000 0.450 670 D N 0.881 121.300 120.400 0.033 0.000 2.346 670 D HA -0.031 4.609 4.640 0.000 0.000 0.260 670 D C 0.917 177.258 176.300 0.068 0.000 1.252 670 D CA 0.005 54.035 54.000 0.050 0.000 0.895 670 D CB 1.264 42.101 40.800 0.061 0.000 1.097 670 D HN -0.068 nan 8.370 nan 0.000 0.489 671 M N 3.450 123.079 119.600 0.047 0.000 2.557 671 M HA 0.112 4.592 4.480 0.000 0.000 0.259 671 M C 1.782 178.096 176.300 0.023 0.000 1.086 671 M CA 0.920 56.246 55.300 0.044 0.000 1.096 671 M CB -0.275 32.341 32.600 0.027 0.000 1.424 671 M HN 0.410 nan 8.290 nan 0.000 0.488 672 G N -0.795 108.012 108.800 0.010 0.000 2.535 672 G HA2 -0.079 3.881 3.960 0.000 0.000 0.218 672 G HA3 -0.079 3.881 3.960 0.000 0.000 0.218 672 G C 0.401 175.269 174.900 -0.052 0.000 1.122 672 G CA 0.787 45.876 45.100 -0.018 0.000 0.769 672 G HN 0.469 nan 8.290 nan 0.000 0.549 673 T N 0.133 114.659 114.554 -0.047 0.000 2.794 673 T HA 0.472 4.822 4.350 0.000 0.000 0.280 673 T C -0.625 173.965 174.700 -0.183 0.000 0.987 673 T CA -0.467 61.526 62.100 -0.178 0.000 0.993 673 T CB 2.475 71.217 68.868 -0.209 0.000 0.939 673 T HN 0.272 nan 8.240 nan 0.000 0.449 674 E N 2.190 122.219 120.200 -0.284 0.000 2.179 674 E HA 0.407 4.757 4.350 0.000 0.000 0.275 674 E C -1.431 174.982 176.600 -0.311 0.000 0.945 674 E CA -0.869 55.438 56.400 -0.154 0.000 0.792 674 E CB 1.074 30.727 29.700 -0.079 0.000 1.125 674 E HN 0.563 nan 8.360 nan 0.000 0.397 675 W N 3.323 124.637 121.300 0.023 0.000 2.632 675 W HA 0.481 5.141 4.660 0.000 0.000 0.328 675 W C -0.390 176.205 176.519 0.127 0.000 1.044 675 W CA -0.670 56.718 57.345 0.072 0.000 1.225 675 W CB 1.569 31.044 29.460 0.024 0.000 1.396 675 W HN 0.277 nan 8.180 nan 0.000 0.499 676 K N 3.564 124.204 120.400 0.400 0.000 2.498 676 K HA 0.409 4.729 4.320 0.000 0.000 0.254 676 K C -2.612 174.176 176.600 0.314 0.000 0.933 676 K CA -1.968 54.509 56.287 0.317 0.000 0.806 676 K CB 2.600 35.188 32.500 0.148 0.000 1.301 676 K HN 0.042 nan 8.250 nan 0.000 0.432 677 P HA -0.041 nan 4.420 nan 0.000 0.269 677 P C -0.347 176.869 177.300 -0.141 0.000 1.209 677 P CA -0.166 62.779 63.100 -0.258 0.000 0.776 677 P CB 0.382 31.904 31.700 -0.297 0.000 0.876 678 T N -1.408 113.026 114.554 -0.200 0.000 2.899 678 T HA 0.382 4.732 4.350 0.000 0.000 0.295 678 T C 1.532 176.180 174.700 -0.087 0.000 1.033 678 T CA -0.105 61.938 62.100 -0.094 0.000 1.084 678 T CB 0.744 69.570 68.868 -0.070 0.000 0.979 678 T HN 0.408 nan 8.240 nan 0.000 0.532 679 A N 2.464 125.256 122.820 -0.046 0.000 1.883 679 A HA 0.108 4.428 4.320 0.000 0.000 0.217 679 A C 2.675 180.235 177.584 -0.039 0.000 1.186 679 A CA 1.954 53.970 52.037 -0.036 0.000 0.624 679 A CB -1.565 17.423 19.000 -0.020 0.000 0.822 679 A HN 1.308 nan 8.150 nan 0.000 0.444 680 A N -1.572 121.228 122.820 -0.034 0.000 1.940 680 A HA -0.018 4.303 4.320 0.000 0.000 0.219 680 A C 0.976 178.533 177.584 -0.045 0.000 1.176 680 A CA 1.802 53.822 52.037 -0.028 0.000 0.631 680 A CB -0.147 18.845 19.000 -0.012 0.000 0.814 680 A HN 0.477 nan 8.150 nan 0.000 0.446 681 D N -3.030 117.326 120.400 -0.074 0.000 2.764 681 D HA 0.522 5.163 4.640 0.000 0.000 0.227 681 D C 0.286 176.474 176.300 -0.188 0.000 1.347 681 D CA 0.246 54.185 54.000 -0.102 0.000 0.953 681 D CB 1.444 42.197 40.800 -0.080 0.000 1.476 681 D HN 0.051 nan 8.370 nan 0.000 0.585 682 A N 3.063 125.777 122.820 -0.177 0.000 2.168 682 A HA -0.045 4.275 4.320 0.000 0.000 0.215 682 A C 1.086 178.429 177.584 -0.400 0.000 1.152 682 A CA 0.875 52.764 52.037 -0.246 0.000 0.716 682 A CB 0.133 19.062 19.000 -0.118 0.000 0.794 682 A HN 0.481 nan 8.150 nan 0.000 0.465 683 D N -0.834 119.388 120.400 -0.297 0.000 2.369 683 D HA 0.210 4.850 4.640 0.000 0.000 0.211 683 D C -0.207 175.954 176.300 -0.233 0.000 1.077 683 D CA 0.370 54.260 54.000 -0.185 0.000 0.842 683 D CB 0.732 41.501 40.800 -0.051 0.000 0.947 683 D HN 0.160 nan 8.370 nan 0.000 0.509 684 V N 1.116 120.764 119.914 -0.443 0.000 2.555 684 V HA 0.437 4.557 4.120 0.000 0.000 0.302 684 V C -0.642 175.130 176.094 -0.538 0.000 1.038 684 V CA -0.745 61.350 62.300 -0.341 0.000 0.887 684 V CB 1.782 33.466 31.823 -0.232 0.000 0.991 684 V HN -0.166 nan 8.190 nan 0.000 0.434 685 F N 1.310 121.299 119.950 0.065 0.000 2.551 685 F HA 0.556 5.083 4.527 0.000 0.000 0.316 685 F C 0.330 176.321 175.800 0.319 0.000 1.089 685 F CA -0.754 57.372 58.000 0.210 0.000 0.915 685 F CB 1.800 40.964 39.000 0.273 0.000 1.186 685 F HN 0.408 nan 8.300 nan 0.000 0.456 686 E N 0.960 121.393 120.200 0.388 0.000 2.175 686 E HA 0.529 4.879 4.350 0.000 0.000 0.278 686 E C -0.205 176.402 176.600 0.011 0.000 0.969 686 E CA -0.738 55.789 56.400 0.211 0.000 0.796 686 E CB 1.842 31.587 29.700 0.076 0.000 1.104 686 E HN 0.805 nan 8.360 nan 0.000 0.395 687 G N 3.235 111.774 108.800 -0.435 0.000 2.377 687 G HA2 0.378 4.338 3.960 0.000 0.000 0.316 687 G HA3 0.378 4.338 3.960 0.000 0.000 0.316 687 G C -0.352 174.142 174.900 -0.676 0.000 1.115 687 G CA -0.481 43.816 45.100 -1.338 0.000 0.952 687 G HN 0.333 nan 8.290 nan 0.000 0.441 688 R N 1.932 122.117 120.500 -0.525 0.000 2.637 688 R HA 0.229 4.569 4.340 0.000 0.000 0.291 688 R C -0.495 175.625 176.300 -0.301 0.000 0.963 688 R CA -0.901 54.998 56.100 -0.334 0.000 0.901 688 R CB 1.975 32.149 30.300 -0.209 0.000 1.160 688 R HN 0.588 nan 8.270 nan 0.000 0.457 689 D N 1.968 122.220 120.400 -0.247 0.000 2.586 689 D HA -0.117 4.523 4.640 0.000 0.000 0.234 689 D C 0.774 176.993 176.300 -0.135 0.000 1.132 689 D CA 0.693 54.586 54.000 -0.179 0.000 0.860 689 D CB 0.819 41.527 40.800 -0.153 0.000 1.159 689 D HN 0.446 nan 8.370 nan 0.000 0.490 690 R N 3.011 123.447 120.500 -0.108 0.000 2.115 690 R HA -0.094 4.246 4.340 0.000 0.000 0.226 690 R C 1.830 178.093 176.300 -0.061 0.000 1.100 690 R CA 1.299 57.353 56.100 -0.078 0.000 0.980 690 R CB 0.056 30.323 30.300 -0.055 0.000 0.875 690 R HN 0.543 nan 8.270 nan 0.000 0.445 691 A N -0.369 122.415 122.820 -0.061 0.000 1.878 691 A HA -0.078 4.242 4.320 0.000 0.000 0.213 691 A C 2.041 179.593 177.584 -0.053 0.000 1.192 691 A CA 1.568 53.575 52.037 -0.050 0.000 0.619 691 A CB -0.430 18.543 19.000 -0.045 0.000 0.837 691 A HN 0.497 nan 8.150 nan 0.000 0.446 692 T N -5.110 109.405 114.554 -0.066 0.000 3.037 692 T HA 0.400 4.750 4.350 0.000 0.000 0.252 692 T C 1.494 176.152 174.700 -0.071 0.000 1.073 692 T CA 1.190 63.251 62.100 -0.066 0.000 1.091 692 T CB 0.254 69.079 68.868 -0.072 0.000 0.935 692 T HN 1.705 nan 8.240 nan 0.000 0.488 693 G N 1.441 110.190 108.800 -0.085 0.000 2.184 693 G HA2 -0.287 3.673 3.960 0.000 0.000 0.264 693 G HA3 -0.287 3.673 3.960 0.000 0.000 0.264 693 G C -0.131 174.705 174.900 -0.106 0.000 0.975 693 G CA 0.312 45.359 45.100 -0.089 0.000 0.642 693 G HN 0.837 nan 8.290 nan 0.000 0.536 694 E N 0.204 120.332 120.200 -0.120 0.000 2.415 694 E HA 0.287 4.637 4.350 0.000 0.000 0.263 694 E C 0.324 176.813 176.600 -0.185 0.000 0.995 694 E CA -0.725 55.592 56.400 -0.138 0.000 0.915 694 E CB 0.295 29.910 29.700 -0.142 0.000 0.951 694 E HN 0.310 nan 8.360 nan 0.000 0.449 695 L N 5.645 126.766 121.223 -0.169 0.000 2.418 695 L HA 0.060 4.400 4.340 0.000 0.000 0.274 695 L C 0.567 177.262 176.870 -0.291 0.000 1.135 695 L CA 0.782 55.506 54.840 -0.193 0.000 0.870 695 L CB 0.506 42.496 42.059 -0.114 0.000 1.154 695 L HN 0.577 nan 8.230 nan 0.000 0.462 696 K N 3.647 123.785 120.400 -0.437 0.000 2.262 696 K HA 0.224 4.544 4.320 0.000 0.000 0.200 696 K C -0.745 175.359 176.600 -0.826 0.000 1.058 696 K CA 0.683 56.474 56.287 -0.826 0.000 0.974 696 K CB 0.314 32.157 32.500 -1.095 0.000 0.910 696 K HN 0.573 nan 8.250 nan 0.000 0.484 697 W N 0.293 121.536 121.300 -0.096 0.000 3.074 697 W HA 0.276 4.936 4.660 0.000 0.000 0.332 697 W C -0.808 175.832 176.519 0.203 0.000 1.253 697 W CA -1.087 56.322 57.345 0.108 0.000 1.180 697 W CB 1.016 30.561 29.460 0.142 0.000 1.445 697 W HN -0.207 nan 8.180 nan 0.000 0.573 698 T N -0.708 114.277 114.554 0.719 0.000 2.907 698 T HA 0.937 5.287 4.350 0.000 0.000 0.292 698 T C -0.468 174.702 174.700 0.783 0.000 1.043 698 T CA -0.646 61.855 62.100 0.669 0.000 1.003 698 T CB 1.992 71.191 68.868 0.551 0.000 1.084 698 T HN 0.977 nan 8.240 nan 0.000 0.483 699 G N 0.545 109.687 108.800 0.570 0.000 2.692 699 G HA2 0.664 4.624 3.960 0.000 0.000 0.291 699 G HA3 0.664 4.624 3.960 0.000 0.000 0.291 699 G C -0.462 174.542 174.900 0.173 0.000 1.423 699 G CA -0.365 44.955 45.100 0.368 0.000 0.843 699 G HN 1.080 nan 8.290 nan 0.000 0.486 700 T N -2.130 112.491 114.554 0.111 0.000 2.910 700 T HA 0.401 4.751 4.350 0.000 0.000 0.279 700 T C 1.399 176.205 174.700 0.177 0.000 0.989 700 T CA -0.596 61.586 62.100 0.136 0.000 0.968 700 T CB 1.716 70.626 68.868 0.070 0.000 1.135 700 T HN 0.465 nan 8.240 nan 0.000 0.562 701 R N -0.365 120.256 120.500 0.201 0.000 2.105 701 R HA -0.053 4.287 4.340 0.000 0.000 0.239 701 R C 2.290 178.584 176.300 -0.011 0.000 1.135 701 R CA 1.148 57.293 56.100 0.075 0.000 0.967 701 R CB -1.013 29.347 30.300 0.101 0.000 0.861 701 R HN 0.464 nan 8.270 nan 0.000 0.442 702 V N 1.673 121.601 119.914 0.025 0.000 2.407 702 V HA -0.231 3.889 4.120 0.000 0.000 0.248 702 V C 1.660 177.840 176.094 0.143 0.000 1.055 702 V CA 1.872 64.188 62.300 0.027 0.000 1.049 702 V CB -0.404 31.424 31.823 0.008 0.000 0.662 702 V HN 0.288 nan 8.190 nan 0.000 0.455 703 D N 0.092 120.570 120.400 0.131 0.000 2.084 703 D HA -0.115 4.525 4.640 0.000 0.000 0.196 703 D C 1.917 178.346 176.300 0.215 0.000 0.985 703 D CA 1.170 55.315 54.000 0.241 0.000 0.826 703 D CB -0.163 40.714 40.800 0.130 0.000 0.978 703 D HN 0.295 nan 8.370 nan 0.000 0.456 704 L N 0.681 121.862 121.223 -0.069 0.000 2.478 704 L HA -0.024 4.316 4.340 0.000 0.000 0.223 704 L C 2.245 178.982 176.870 -0.222 0.000 1.140 704 L CA 0.445 55.102 54.840 -0.305 0.000 0.842 704 L CB -0.222 41.442 42.059 -0.658 0.000 0.953 704 L HN -0.107 nan 8.230 nan 0.000 0.452 705 V N -0.902 118.914 119.914 -0.162 0.000 2.469 705 V HA -0.289 3.831 4.120 0.000 0.000 0.251 705 V C 2.166 178.106 176.094 -0.256 0.000 1.064 705 V CA 1.770 63.922 62.300 -0.245 0.000 1.066 705 V CB -0.343 31.276 31.823 -0.339 0.000 0.667 705 V HN 0.376 nan 8.190 nan 0.000 0.461 706 F N 0.783 120.735 119.950 0.005 0.000 2.451 706 F HA 0.110 4.637 4.527 0.000 0.000 0.299 706 F C 2.138 177.959 175.800 0.036 0.000 1.101 706 F CA 1.158 59.211 58.000 0.088 0.000 1.436 706 F CB -0.474 38.670 39.000 0.241 0.000 1.074 706 F HN 0.304 nan 8.300 nan 0.000 0.553 707 G N -2.139 106.692 108.800 0.051 0.000 3.126 707 G HA2 0.072 4.032 3.960 0.000 0.000 0.224 707 G HA3 0.072 4.032 3.960 0.000 0.000 0.224 707 G C 1.301 176.147 174.900 -0.090 0.000 1.142 707 G CA 0.681 45.753 45.100 -0.048 0.000 0.759 707 G HN 0.315 nan 8.290 nan 0.000 0.550 708 S N -0.916 114.729 115.700 -0.092 0.000 2.979 708 S HA 0.129 4.599 4.470 0.000 0.000 0.243 708 S C 0.738 175.289 174.600 -0.082 0.000 1.036 708 S CA -0.364 57.768 58.200 -0.113 0.000 0.846 708 S CB -0.310 62.799 63.200 -0.153 0.000 0.806 708 S HN 0.325 nan 8.310 nan 0.000 0.568 709 H N 2.804 121.781 119.070 -0.154 0.000 3.070 709 H HA 0.101 4.657 4.556 0.000 0.000 0.313 709 H C 1.500 176.769 175.328 -0.099 0.000 0.997 709 H CA 0.998 56.962 56.048 -0.140 0.000 1.438 709 H CB 1.111 30.774 29.762 -0.165 0.000 1.455 709 H HN 0.532 nan 8.280 nan 0.000 0.575 710 S N 3.119 118.628 115.700 -0.317 0.000 2.399 710 S HA -0.177 4.293 4.470 0.000 0.000 0.231 710 S C 1.753 176.358 174.600 0.009 0.000 1.022 710 S CA 1.033 59.143 58.200 -0.150 0.000 0.983 710 S CB 0.020 63.089 63.200 -0.218 0.000 0.803 710 S HN 0.730 nan 8.310 nan 0.000 0.480 711 Q N 0.646 120.533 119.800 0.146 0.000 2.096 711 Q HA 0.177 4.517 4.340 0.000 0.000 0.197 711 Q C 2.304 178.441 176.000 0.227 0.000 0.964 711 Q CA 1.089 57.023 55.803 0.218 0.000 0.838 711 Q CB -0.297 28.610 28.738 0.281 0.000 0.906 711 Q HN 0.534 nan 8.270 nan 0.000 0.444 712 L N 0.144 121.533 121.223 0.276 0.000 2.046 712 L HA -0.203 4.138 4.340 0.000 0.000 0.208 712 L C 2.629 179.648 176.870 0.248 0.000 1.077 712 L CA 1.196 56.144 54.840 0.180 0.000 0.747 712 L CB -0.420 41.588 42.059 -0.086 0.000 0.896 712 L HN 0.194 nan 8.230 nan 0.000 0.432 713 R N 0.273 120.881 120.500 0.181 0.000 2.096 713 R HA -0.182 4.159 4.340 0.000 0.000 0.235 713 R C 2.347 178.724 176.300 0.129 0.000 1.127 713 R CA 1.408 57.600 56.100 0.152 0.000 0.968 713 R CB -0.227 30.115 30.300 0.069 0.000 0.861 713 R HN 0.353 nan 8.270 nan 0.000 0.440 714 A N 0.833 123.714 122.820 0.101 0.000 1.940 714 A HA -0.142 4.178 4.320 0.000 0.000 0.219 714 A C 2.122 179.751 177.584 0.076 0.000 1.176 714 A CA 1.248 53.326 52.037 0.068 0.000 0.631 714 A CB -0.447 18.585 19.000 0.052 0.000 0.814 714 A HN 0.333 nan 8.150 nan 0.000 0.446 715 L N -1.068 120.238 121.223 0.138 0.000 2.044 715 L HA -0.125 4.215 4.340 0.000 0.000 0.205 715 L C 3.120 180.091 176.870 0.169 0.000 1.075 715 L CA 0.974 55.914 54.840 0.167 0.000 0.747 715 L CB -0.719 41.499 42.059 0.266 0.000 0.903 715 L HN 0.408 nan 8.230 nan 0.000 0.435 716 A N 0.217 123.186 122.820 0.247 0.000 1.948 716 A HA -0.259 4.061 4.320 0.000 0.000 0.220 716 A C 2.137 179.779 177.584 0.097 0.000 1.177 716 A CA 1.916 54.102 52.037 0.247 0.000 0.636 716 A CB -0.540 18.751 19.000 0.485 0.000 0.815 716 A HN 0.478 nan 8.150 nan 0.000 0.449 717 E N -0.527 119.720 120.200 0.078 0.000 2.118 717 E HA -0.151 4.199 4.350 0.000 0.000 0.195 717 E C 1.955 178.522 176.600 -0.056 0.000 0.992 717 E CA 1.345 57.758 56.400 0.021 0.000 0.804 717 E CB -0.312 29.398 29.700 0.017 0.000 0.741 717 E HN 0.432 nan 8.360 nan 0.000 0.458 718 V N 0.254 120.087 119.914 -0.135 0.000 2.295 718 V HA -0.262 3.858 4.120 0.000 0.000 0.246 718 V C 1.716 177.579 176.094 -0.384 0.000 1.049 718 V CA 1.801 63.926 62.300 -0.292 0.000 1.024 718 V CB -0.511 31.057 31.823 -0.425 0.000 0.648 718 V HN 0.320 nan 8.190 nan 0.000 0.447 719 Y N 0.384 120.544 120.300 -0.234 0.000 2.519 719 Y HA 0.158 4.708 4.550 0.000 0.000 0.287 719 Y C 2.316 178.102 175.900 -0.189 0.000 1.128 719 Y CA 0.779 58.683 58.100 -0.326 0.000 1.282 719 Y CB -0.208 37.731 38.460 -0.869 0.000 1.027 719 Y HN 0.304 nan 8.280 nan 0.000 0.551 720 G N -0.986 107.827 108.800 0.022 0.000 3.141 720 G HA2 0.066 4.027 3.960 0.000 0.000 0.218 720 G HA3 0.066 4.027 3.960 0.000 0.000 0.218 720 G C 0.271 175.203 174.900 0.055 0.000 1.170 720 G CA -0.117 45.052 45.100 0.115 0.000 0.769 720 G HN 0.070 nan 8.290 nan 0.000 0.546 721 S N -0.505 115.204 115.700 0.015 0.000 2.652 721 S HA 0.506 4.976 4.470 0.000 0.000 0.270 721 S C 1.564 176.179 174.600 0.024 0.000 1.243 721 S CA 0.014 58.219 58.200 0.008 0.000 0.999 721 S CB 1.688 64.874 63.200 -0.023 0.000 0.973 721 S HN 0.290 nan 8.310 nan 0.000 0.544 722 A N 1.149 123.983 122.820 0.022 0.000 2.066 722 A HA -0.064 4.256 4.320 0.000 0.000 0.218 722 A C 1.400 179.007 177.584 0.037 0.000 1.157 722 A CA 1.287 53.343 52.037 0.032 0.000 0.670 722 A CB -0.445 18.570 19.000 0.025 0.000 0.804 722 A HN 0.827 nan 8.150 nan 0.000 0.453 723 D N -0.897 119.519 120.400 0.027 0.000 2.328 723 D HA 0.326 4.966 4.640 0.000 0.000 0.221 723 D C 0.939 177.267 176.300 0.046 0.000 1.072 723 D CA 0.735 54.755 54.000 0.032 0.000 0.850 723 D CB -0.033 40.775 40.800 0.014 0.000 0.922 723 D HN 0.266 nan 8.370 nan 0.000 0.516 724 A N -0.050 122.806 122.820 0.060 0.000 2.390 724 A HA 0.084 4.404 4.320 0.000 0.000 0.232 724 A C 1.942 179.635 177.584 0.181 0.000 1.233 724 A CA 0.139 52.227 52.037 0.085 0.000 0.907 724 A CB -0.004 19.019 19.000 0.038 0.000 0.967 724 A HN 0.132 nan 8.150 nan 0.000 0.512 725 Q N 1.198 121.105 119.800 0.178 0.000 2.050 725 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 725 Q C 1.826 177.948 176.000 0.202 0.000 0.980 725 Q CA 2.415 58.357 55.803 0.232 0.000 0.840 725 Q CB -0.353 28.530 28.738 0.242 0.000 0.898 725 Q HN 0.706 nan 8.270 nan 0.000 0.424 726 E N -0.113 120.204 120.200 0.194 0.000 2.077 726 E HA -0.256 4.094 4.350 0.000 0.000 0.193 726 E C 1.890 178.544 176.600 0.090 0.000 0.989 726 E CA 1.315 57.797 56.400 0.136 0.000 0.800 726 E CB -0.128 29.675 29.700 0.173 0.000 0.746 726 E HN 0.381 nan 8.360 nan 0.000 0.452 727 K N -0.176 120.304 120.400 0.133 0.000 2.025 727 K HA -0.182 4.138 4.320 0.000 0.000 0.207 727 K C 2.119 178.863 176.600 0.240 0.000 1.049 727 K CA 1.344 57.720 56.287 0.148 0.000 0.933 727 K CB -0.396 32.169 32.500 0.109 0.000 0.714 727 K HN 0.120 nan 8.250 nan 0.000 0.438 728 F N 1.416 121.494 119.950 0.214 0.000 2.065 728 F HA -0.248 4.279 4.527 0.000 0.000 0.298 728 F C 1.765 177.622 175.800 0.095 0.000 1.112 728 F CA 1.578 59.711 58.000 0.222 0.000 1.212 728 F CB -0.556 38.558 39.000 0.191 0.000 0.975 728 F HN -0.175 nan 8.300 nan 0.000 0.476 729 V N 1.081 120.872 119.914 -0.204 0.000 2.295 729 V HA -0.299 3.821 4.120 0.000 0.000 0.246 729 V C 2.637 178.625 176.094 -0.176 0.000 1.049 729 V CA 2.331 64.439 62.300 -0.320 0.000 1.024 729 V CB -0.836 30.753 31.823 -0.390 0.000 0.648 729 V HN 0.362 nan 8.190 nan 0.000 0.447 730 R N 0.051 120.502 120.500 -0.081 0.000 2.073 730 R HA -0.194 4.146 4.340 0.000 0.000 0.234 730 R C 2.032 178.318 176.300 -0.022 0.000 1.134 730 R CA 2.208 58.294 56.100 -0.022 0.000 0.952 730 R CB -0.346 29.965 30.300 0.019 0.000 0.850 730 R HN 0.489 nan 8.270 nan 0.000 0.433 731 D N -0.381 120.010 120.400 -0.015 0.000 2.178 731 D HA -0.148 4.492 4.640 0.000 0.000 0.202 731 D C 1.481 177.721 176.300 -0.100 0.000 0.974 731 D CA 0.868 54.864 54.000 -0.006 0.000 0.841 731 D CB -0.231 40.639 40.800 0.118 0.000 0.953 731 D HN 0.202 nan 8.370 nan 0.000 0.478 732 F N 1.091 120.829 119.950 -0.353 0.000 2.113 732 F HA -0.184 4.343 4.527 0.000 0.000 0.297 732 F C 2.144 177.861 175.800 -0.138 0.000 1.103 732 F CA 0.987 58.773 58.000 -0.358 0.000 1.248 732 F CB -0.199 38.398 39.000 -0.672 0.000 0.999 732 F HN -0.216 nan 8.300 nan 0.000 0.475 733 V N 0.493 120.398 119.914 -0.015 0.000 2.407 733 V HA -0.304 3.817 4.120 0.000 0.000 0.248 733 V C 2.700 178.786 176.094 -0.013 0.000 1.055 733 V CA 1.678 63.989 62.300 0.017 0.000 1.049 733 V CB -1.518 30.332 31.823 0.045 0.000 0.662 733 V HN 0.489 nan 8.190 nan 0.000 0.455 734 A N -0.460 122.332 122.820 -0.047 0.000 1.877 734 A HA -0.193 4.127 4.320 0.000 0.000 0.216 734 A C 2.472 180.005 177.584 -0.085 0.000 1.186 734 A CA 2.196 54.206 52.037 -0.045 0.000 0.620 734 A CB -0.814 18.169 19.000 -0.028 0.000 0.822 734 A HN 0.346 nan 8.150 nan 0.000 0.443 735 V N -0.658 119.170 119.914 -0.143 0.000 2.453 735 V HA -0.171 3.949 4.120 0.000 0.000 0.247 735 V C 2.041 178.014 176.094 -0.202 0.000 1.048 735 V CA 1.861 64.060 62.300 -0.169 0.000 1.049 735 V CB -0.474 31.248 31.823 -0.169 0.000 0.672 735 V HN 0.786 nan 8.190 nan 0.000 0.457 736 W N 1.178 122.187 121.300 -0.485 0.000 2.333 736 W HA -0.311 4.349 4.660 0.000 0.000 0.316 736 W C 2.262 178.663 176.519 -0.197 0.000 1.215 736 W CA 2.302 59.412 57.345 -0.393 0.000 1.278 736 W CB -0.657 28.515 29.460 -0.479 0.000 1.154 736 W HN 0.510 nan 8.180 nan 0.000 0.486 737 N N 1.034 119.697 118.700 -0.062 0.000 2.104 737 N HA -0.284 4.456 4.740 0.000 0.000 0.190 737 N C 1.909 177.283 175.510 -0.226 0.000 1.024 737 N CA 2.642 55.618 53.050 -0.123 0.000 0.853 737 N CB -0.678 37.799 38.487 -0.015 0.000 1.008 737 N HN 0.201 nan 8.380 nan 0.000 0.424 738 K N -0.143 120.135 120.400 -0.203 0.000 2.032 738 K HA -0.111 4.209 4.320 0.000 0.000 0.209 738 K C 1.698 178.118 176.600 -0.299 0.000 1.048 738 K CA 1.588 57.745 56.287 -0.218 0.000 0.927 738 K CB -0.237 32.170 32.500 -0.156 0.000 0.712 738 K HN 0.060 nan 8.250 nan 0.000 0.441 739 V N 1.453 121.168 119.914 -0.332 0.000 2.343 739 V HA -0.272 3.848 4.120 0.000 0.000 0.247 739 V C 2.492 178.299 176.094 -0.479 0.000 1.051 739 V CA 1.637 63.698 62.300 -0.397 0.000 1.036 739 V CB -0.420 31.170 31.823 -0.389 0.000 0.654 739 V HN 0.427 nan 8.190 nan 0.000 0.451 740 M N 0.290 119.568 119.600 -0.537 0.000 2.202 740 M HA -0.122 4.358 4.480 0.000 0.000 0.262 740 M C 1.455 177.533 176.300 -0.371 0.000 1.063 740 M CA 1.477 56.499 55.300 -0.462 0.000 1.097 740 M CB -1.302 31.042 32.600 -0.426 0.000 1.382 740 M HN 0.391 nan 8.290 nan 0.000 0.413 741 N N 0.035 118.507 118.700 -0.381 0.000 2.230 741 N HA 0.188 4.928 4.740 0.000 0.000 0.202 741 N C 1.566 176.759 175.510 -0.529 0.000 1.119 741 N CA 0.089 52.903 53.050 -0.393 0.000 0.851 741 N CB 0.084 38.372 38.487 -0.332 0.000 0.990 741 N HN 0.339 nan 8.380 nan 0.000 0.497 742 L N 0.737 121.579 121.223 -0.636 0.000 2.127 742 L HA -0.195 4.145 4.340 0.000 0.000 0.211 742 L C 1.344 177.411 176.870 -1.339 0.000 1.089 742 L CA 1.377 55.607 54.840 -1.018 0.000 0.757 742 L CB -0.187 41.112 42.059 -1.267 0.000 0.899 742 L HN 0.156 nan 8.230 nan 0.000 0.434 743 D N -1.663 118.203 120.400 -0.889 0.000 2.340 743 D HA -0.068 4.572 4.640 0.000 0.000 0.217 743 D C 0.850 176.880 176.300 -0.450 0.000 1.081 743 D CA -0.061 53.648 54.000 -0.485 0.000 0.842 743 D CB -0.058 40.722 40.800 -0.034 0.000 0.934 743 D HN 0.013 nan 8.370 nan 0.000 0.511 744 R N 0.888 121.019 120.500 -0.615 0.000 4.556 744 R HA 0.168 4.508 4.340 0.000 0.000 0.197 744 R C 0.165 176.204 176.300 -0.435 0.000 1.791 744 R CA -0.297 55.552 56.100 -0.418 0.000 1.526 744 R CB -1.363 28.725 30.300 -0.353 0.000 1.410 744 R HN 0.265 nan 8.270 nan 0.000 0.826 745 F N 0.931 120.822 119.950 -0.099 0.000 2.407 745 F HA -0.152 4.375 4.527 0.000 0.000 0.299 745 F C 2.087 177.847 175.800 -0.067 0.000 1.097 745 F CA 0.947 58.907 58.000 -0.066 0.000 1.422 745 F CB 0.050 39.031 39.000 -0.032 0.000 1.067 745 F HN 0.276 nan 8.300 nan 0.000 0.539 746 D N 0.843 121.273 120.400 0.050 0.000 2.265 746 D HA -0.196 4.444 4.640 0.000 0.000 0.208 746 D C 1.634 177.908 176.300 -0.043 0.000 0.977 746 D CA 1.258 55.253 54.000 -0.009 0.000 0.871 746 D CB -0.575 40.200 40.800 -0.041 0.000 0.925 746 D HN 0.352 nan 8.370 nan 0.000 0.485 747 L N -0.158 121.018 121.223 -0.079 0.000 2.556 747 L HA 0.320 4.660 4.340 0.000 0.000 0.226 747 L C 1.723 178.550 176.870 -0.071 0.000 1.089 747 L CA -0.168 54.616 54.840 -0.093 0.000 0.864 747 L CB -0.225 41.748 42.059 -0.144 0.000 1.067 747 L HN -0.056 nan 8.230 nan 0.000 0.477 748 A N 0.000 122.791 122.820 -0.048 0.000 2.254 748 A HA 0.000 4.320 4.320 0.000 0.000 0.244 748 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 748 A CB 0.000 19.054 19.000 0.090 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486