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 3n3s_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPADVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.473 175.510 -0.061 0.000 1.280 35 N CA 0.000 53.019 53.050 -0.052 0.000 0.885 35 N CB 0.000 38.454 38.487 -0.056 0.000 1.341 36 G N 0.505 109.278 108.800 -0.046 0.000 2.432 36 G HA2 0.454 4.417 3.960 0.005 0.000 0.239 36 G HA3 0.454 4.417 3.960 0.005 0.000 0.239 36 G C 0.432 175.282 174.900 -0.083 0.000 1.291 36 G CA 0.779 45.854 45.100 -0.041 0.000 0.863 36 G HN 0.985 nan 8.290 nan 0.000 0.560 37 T N 1.113 115.602 114.554 -0.107 0.000 2.884 37 T HA 0.450 4.803 4.350 0.005 0.000 0.298 37 T C 0.851 175.455 174.700 -0.159 0.000 0.998 37 T CA -0.020 61.925 62.100 -0.257 0.000 1.124 37 T CB 1.067 69.675 68.868 -0.434 0.000 0.931 37 T HN 0.830 nan 8.240 nan 0.000 0.531 38 S N 2.229 117.797 115.700 -0.221 0.000 2.689 38 S HA 0.411 4.884 4.470 0.005 0.000 0.306 38 S C 1.002 175.594 174.600 -0.014 0.000 1.104 38 S CA -0.995 57.177 58.200 -0.047 0.000 0.973 38 S CB 1.142 64.324 63.200 -0.031 0.000 1.121 38 S HN 0.475 nan 8.310 nan 0.000 0.523 39 N N 0.820 119.636 118.700 0.195 0.000 2.149 39 N HA -0.090 4.653 4.740 0.005 0.000 0.188 39 N C 1.594 177.250 175.510 0.244 0.000 1.019 39 N CA 1.084 54.362 53.050 0.381 0.000 0.857 39 N CB -0.636 38.116 38.487 0.442 0.000 0.997 39 N HN 0.618 nan 8.380 nan 0.000 0.426 40 R N 1.071 121.640 120.500 0.114 0.000 2.120 40 R HA -0.037 4.306 4.340 0.005 0.000 0.234 40 R C 1.130 177.396 176.300 -0.057 0.000 1.123 40 R CA 1.128 57.266 56.100 0.062 0.000 0.975 40 R CB -0.102 30.217 30.300 0.032 0.000 0.866 40 R HN 0.204 nan 8.270 nan 0.000 0.446 41 D N -1.334 118.943 120.400 -0.205 0.000 2.123 41 D HA -0.162 4.481 4.640 0.005 0.000 0.200 41 D C 1.613 177.643 176.300 -0.451 0.000 0.976 41 D CA 1.129 54.910 54.000 -0.365 0.000 0.831 41 D CB -0.288 40.165 40.800 -0.578 0.000 0.974 41 D HN 0.331 nan 8.370 nan 0.000 0.469 42 W N -0.290 120.727 121.300 -0.472 0.000 2.418 42 W HA -0.037 4.626 4.660 0.005 0.000 0.292 42 W C 0.702 176.599 176.519 -1.037 0.000 1.213 42 W CA 0.040 56.795 57.345 -0.983 0.000 1.283 42 W CB 0.140 28.398 29.460 -2.002 0.000 1.119 42 W HN -0.070 nan 8.180 nan 0.000 0.542 43 W N 1.109 122.537 121.300 0.213 0.000 2.291 43 W HA 0.241 4.904 4.660 0.005 0.000 0.288 43 W C -2.002 174.562 176.519 0.075 0.000 0.976 43 W CA -1.883 55.536 57.345 0.124 0.000 1.744 43 W CB -0.108 29.412 29.460 0.099 0.000 1.815 43 W HN -0.173 nan 8.180 nan 0.000 0.396 44 P HA -0.082 nan 4.420 nan 0.000 0.233 44 P C 0.708 178.067 177.300 0.100 0.000 1.167 44 P CA 1.180 64.331 63.100 0.084 0.000 0.770 44 P CB 0.475 32.189 31.700 0.024 0.000 0.837 45 N N -0.852 117.925 118.700 0.129 0.000 2.235 45 N HA 0.051 4.794 4.740 0.005 0.000 0.209 45 N C 0.815 176.391 175.510 0.109 0.000 1.122 45 N CA 0.124 53.233 53.050 0.098 0.000 0.845 45 N CB 0.083 38.621 38.487 0.085 0.000 1.004 45 N HN 0.196 nan 8.380 nan 0.000 0.499 46 Q N 0.732 120.626 119.800 0.157 0.000 2.396 46 Q HA 0.186 4.529 4.340 0.005 0.000 0.221 46 Q C -0.283 175.795 176.000 0.129 0.000 1.025 46 Q CA -0.563 55.328 55.803 0.147 0.000 0.946 46 Q CB 1.097 29.933 28.738 0.164 0.000 1.224 46 Q HN 0.143 nan 8.270 nan 0.000 0.539 47 L N 1.646 122.962 121.223 0.156 0.000 2.326 47 L HA 0.169 4.512 4.340 0.005 0.000 0.278 47 L C -0.520 176.401 176.870 0.086 0.000 1.092 47 L CA 0.142 55.019 54.840 0.061 0.000 0.810 47 L CB 0.794 42.830 42.059 -0.039 0.000 1.153 47 L HN 0.394 nan 8.230 nan 0.000 0.439 48 D N 4.136 124.552 120.400 0.025 0.000 2.456 48 D HA 0.181 4.824 4.640 0.005 0.000 0.219 48 D C 0.836 177.123 176.300 -0.021 0.000 1.126 48 D CA 0.020 54.041 54.000 0.034 0.000 0.890 48 D CB 0.463 41.281 40.800 0.030 0.000 1.025 48 D HN 0.613 nan 8.370 nan 0.000 0.511 49 L N 2.041 123.256 121.223 -0.014 0.000 2.395 49 L HA -0.024 4.319 4.340 0.005 0.000 0.218 49 L C 2.138 178.964 176.870 -0.073 0.000 1.130 49 L CA 0.092 54.894 54.840 -0.064 0.000 0.826 49 L CB -0.161 41.901 42.059 0.005 0.000 0.941 49 L HN 0.272 nan 8.230 nan 0.000 0.451 50 S N 1.116 116.829 115.700 0.022 0.000 2.420 50 S HA -0.182 4.291 4.470 0.005 0.000 0.237 50 S C 1.957 176.521 174.600 -0.061 0.000 1.023 50 S CA 1.613 59.835 58.200 0.036 0.000 0.991 50 S CB -0.381 62.852 63.200 0.056 0.000 0.792 50 S HN 0.589 nan 8.310 nan 0.000 0.488 51 I N -0.908 119.613 120.570 -0.082 0.000 2.567 51 I HA -0.095 4.078 4.170 0.005 0.000 0.257 51 I C 1.412 177.454 176.117 -0.124 0.000 1.184 51 I CA 1.429 62.681 61.300 -0.080 0.000 1.451 51 I CB -0.454 37.513 38.000 -0.055 0.000 1.089 51 I HN 0.173 nan 8.210 nan 0.000 0.441 52 L N 0.142 121.192 121.223 -0.289 0.000 2.591 52 L HA 0.086 4.429 4.340 0.005 0.000 0.228 52 L C 0.928 177.559 176.870 -0.399 0.000 1.133 52 L CA 0.547 55.163 54.840 -0.374 0.000 0.880 52 L CB -0.660 41.106 42.059 -0.488 0.000 1.033 52 L HN 0.383 nan 8.230 nan 0.000 0.450 53 H N -1.493 117.603 119.070 0.043 0.000 2.567 53 H HA 0.276 4.835 4.556 0.005 0.000 0.267 53 H C 0.337 175.671 175.328 0.010 0.000 1.148 53 H CA -0.570 55.502 56.048 0.039 0.000 1.031 53 H CB 0.536 30.319 29.762 0.035 0.000 1.691 53 H HN 0.023 nan 8.280 nan 0.000 0.588 54 R N 0.204 120.722 120.500 0.029 0.000 2.583 54 R HA 0.135 4.478 4.340 0.005 0.000 0.268 54 R C -0.014 176.273 176.300 -0.021 0.000 1.101 54 R CA -0.329 55.697 56.100 -0.124 0.000 1.180 54 R CB 0.267 30.367 30.300 -0.333 0.000 1.128 54 R HN 0.629 nan 8.270 nan 0.000 0.568 55 H N -2.115 116.991 119.070 0.060 0.000 2.862 55 H HA -0.167 4.392 4.556 0.005 0.000 0.290 55 H C 0.158 175.549 175.328 0.104 0.000 1.211 55 H CA 0.575 56.676 56.048 0.088 0.000 1.140 55 H CB -1.554 28.254 29.762 0.077 0.000 1.341 55 H HN 0.682 nan 8.280 nan 0.000 0.392 56 S N -0.646 115.134 115.700 0.134 0.000 2.634 56 S HA 0.235 4.708 4.470 0.005 0.000 0.261 56 S C 1.771 176.435 174.600 0.107 0.000 1.271 56 S CA -0.267 58.002 58.200 0.116 0.000 0.985 56 S CB 1.553 64.801 63.200 0.080 0.000 0.968 56 S HN 0.476 nan 8.310 nan 0.000 0.568 57 S N 0.218 115.969 115.700 0.084 0.000 2.515 57 S HA 0.011 4.484 4.470 0.005 0.000 0.231 57 S C 1.616 176.236 174.600 0.032 0.000 0.987 57 S CA 0.351 58.592 58.200 0.067 0.000 0.936 57 S CB -0.901 62.333 63.200 0.056 0.000 0.766 57 S HN 0.628 nan 8.310 nan 0.000 0.528 58 L N 2.110 123.350 121.223 0.029 0.000 2.093 58 L HA -0.056 4.287 4.340 0.005 0.000 0.208 58 L C 2.862 179.728 176.870 -0.006 0.000 1.085 58 L CA 1.468 56.312 54.840 0.007 0.000 0.755 58 L CB -0.677 41.387 42.059 0.009 0.000 0.904 58 L HN 0.549 nan 8.230 nan 0.000 0.435 59 S N -2.383 113.325 115.700 0.013 0.000 2.558 59 S HA -0.035 4.438 4.470 0.005 0.000 0.217 59 S C 0.645 175.234 174.600 -0.019 0.000 0.975 59 S CA -0.273 57.934 58.200 0.012 0.000 0.912 59 S CB -0.257 62.964 63.200 0.035 0.000 0.776 59 S HN 0.265 nan 8.310 nan 0.000 0.526 60 D N 3.084 123.452 120.400 -0.053 0.000 2.295 60 D HA 0.286 4.929 4.640 0.005 0.000 0.248 60 D C -1.431 174.638 176.300 -0.386 0.000 1.154 60 D CA -2.232 51.616 54.000 -0.253 0.000 0.857 60 D CB 1.743 42.534 40.800 -0.015 0.000 1.117 60 D HN 0.059 nan 8.370 nan 0.000 0.468 61 P HA -0.001 nan 4.420 nan 0.000 0.231 61 P C 0.432 177.496 177.300 -0.392 0.000 1.168 61 P CA 0.223 63.028 63.100 -0.491 0.000 0.779 61 P CB 0.240 31.571 31.700 -0.615 0.000 0.844 62 M N 0.326 119.670 119.600 -0.427 0.000 2.241 62 M HA 0.323 4.806 4.480 0.005 0.000 0.335 62 M C 1.313 177.567 176.300 -0.077 0.000 1.122 62 M CA -0.903 54.225 55.300 -0.287 0.000 1.164 62 M CB -0.317 32.114 32.600 -0.282 0.000 1.459 62 M HN -0.173 nan 8.290 nan 0.000 0.461 63 G N 1.477 110.273 108.800 -0.007 0.000 2.664 63 G HA2 0.096 4.059 3.960 0.005 0.000 0.242 63 G HA3 0.096 4.059 3.960 0.005 0.000 0.242 63 G C 0.619 175.594 174.900 0.124 0.000 1.225 63 G CA -0.380 44.757 45.100 0.061 0.000 0.849 63 G HN 0.737 nan 8.290 nan 0.000 0.581 64 K N -0.301 120.155 120.400 0.093 0.000 2.283 64 K HA -0.006 4.317 4.320 0.005 0.000 0.202 64 K C 1.554 178.228 176.600 0.123 0.000 1.048 64 K CA 1.128 57.476 56.287 0.102 0.000 0.948 64 K CB 0.226 32.767 32.500 0.068 0.000 0.742 64 K HN 0.382 nan 8.250 nan 0.000 0.458 65 D N -0.621 119.856 120.400 0.127 0.000 2.339 65 D HA -0.031 4.612 4.640 0.005 0.000 0.217 65 D C -0.284 176.111 176.300 0.158 0.000 1.050 65 D CA -0.059 54.009 54.000 0.114 0.000 0.856 65 D CB -0.081 40.774 40.800 0.092 0.000 0.922 65 D HN 0.047 nan 8.370 nan 0.000 0.518 66 F N 2.382 122.380 119.950 0.079 0.000 2.578 66 F HA 0.122 4.652 4.527 0.005 0.000 0.376 66 F C 0.392 176.274 175.800 0.136 0.000 1.085 66 F CA -0.256 57.810 58.000 0.109 0.000 1.260 66 F CB 0.383 39.458 39.000 0.125 0.000 1.095 66 F HN -0.269 nan 8.300 nan 0.000 0.573 67 N N 6.018 124.322 118.700 -0.660 0.000 2.491 67 N HA 0.019 4.762 4.740 0.005 0.000 0.274 67 N C 0.112 175.171 175.510 -0.752 0.000 1.023 67 N CA -0.444 52.310 53.050 -0.492 0.000 0.902 67 N CB 0.509 38.866 38.487 -0.216 0.000 1.267 67 N HN 0.782 nan 8.380 nan 0.000 0.503 68 Y N 4.625 124.491 120.300 -0.724 0.000 2.242 68 Y HA -0.006 4.547 4.550 0.005 0.000 0.291 68 Y C 1.970 177.804 175.900 -0.110 0.000 1.137 68 Y CA 2.119 59.963 58.100 -0.427 0.000 1.181 68 Y CB -0.247 38.205 38.460 -0.014 0.000 0.989 68 Y HN 0.646 nan 8.280 nan 0.000 0.527 69 A N 0.306 122.975 122.820 -0.252 0.000 1.917 69 A HA -0.298 4.025 4.320 0.005 0.000 0.219 69 A C 2.146 179.624 177.584 -0.177 0.000 1.182 69 A CA 2.170 54.070 52.037 -0.228 0.000 0.633 69 A CB -0.781 18.175 19.000 -0.074 0.000 0.819 69 A HN 0.677 nan 8.150 nan 0.000 0.448 70 Q N -0.972 118.727 119.800 -0.168 0.000 2.119 70 Q HA -0.035 4.308 4.340 0.005 0.000 0.201 70 Q C 2.440 178.384 176.000 -0.093 0.000 0.972 70 Q CA 1.172 56.911 55.803 -0.106 0.000 0.847 70 Q CB -0.349 28.336 28.738 -0.088 0.000 0.903 70 Q HN 0.707 nan 8.270 nan 0.000 0.433 71 A N 0.485 123.234 122.820 -0.119 0.000 1.877 71 A HA -0.199 4.124 4.320 0.005 0.000 0.216 71 A C 1.845 179.395 177.584 -0.057 0.000 1.186 71 A CA 1.164 53.202 52.037 0.001 0.000 0.620 71 A CB -0.798 18.333 19.000 0.218 0.000 0.822 71 A HN 0.473 nan 8.150 nan 0.000 0.443 72 F N 0.792 120.512 119.950 -0.383 0.000 2.171 72 F HA -0.111 4.419 4.527 0.005 0.000 0.300 72 F C 2.112 177.814 175.800 -0.163 0.000 1.090 72 F CA 1.876 59.672 58.000 -0.340 0.000 1.293 72 F CB 0.041 38.664 39.000 -0.628 0.000 1.013 72 F HN 0.196 nan 8.300 nan 0.000 0.486 73 E N 0.464 120.605 120.200 -0.098 0.000 2.347 73 E HA -0.139 4.214 4.350 0.005 0.000 0.196 73 E C 1.750 178.256 176.600 -0.156 0.000 1.008 73 E CA 0.828 57.162 56.400 -0.110 0.000 0.852 73 E CB -0.195 29.498 29.700 -0.011 0.000 0.783 73 E HN 0.510 nan 8.360 nan 0.000 0.505 74 K N 0.252 120.571 120.400 -0.136 0.000 2.393 74 K HA 0.062 4.385 4.320 0.005 0.000 0.193 74 K C 0.650 177.169 176.600 -0.136 0.000 1.026 74 K CA -0.332 55.892 56.287 -0.105 0.000 1.064 74 K CB 0.249 32.722 32.500 -0.044 0.000 0.833 74 K HN -0.052 nan 8.250 nan 0.000 0.521 75 L N 2.192 123.269 121.223 -0.243 0.000 2.485 75 L HA -0.025 4.318 4.340 0.005 0.000 0.275 75 L C -0.043 176.688 176.870 -0.232 0.000 1.207 75 L CA 0.457 55.153 54.840 -0.241 0.000 0.855 75 L CB 0.441 42.223 42.059 -0.462 0.000 1.114 75 L HN -0.005 nan 8.230 nan 0.000 0.485 76 D N 4.046 124.369 120.400 -0.129 0.000 2.483 76 D HA 0.009 4.652 4.640 0.005 0.000 0.220 76 D C 0.890 177.073 176.300 -0.196 0.000 1.173 76 D CA -0.138 53.793 54.000 -0.114 0.000 0.964 76 D CB 0.415 41.207 40.800 -0.012 0.000 1.046 76 D HN 0.604 nan 8.370 nan 0.000 0.517 77 L N 4.320 125.411 121.223 -0.220 0.000 2.141 77 L HA -0.002 4.341 4.340 0.005 0.000 0.209 77 L C 2.050 178.827 176.870 -0.156 0.000 1.094 77 L CA 1.819 56.527 54.840 -0.220 0.000 0.763 77 L CB -0.448 41.523 42.059 -0.148 0.000 0.908 77 L HN 0.397 nan 8.230 nan 0.000 0.437 78 A N -0.470 122.289 122.820 -0.100 0.000 1.933 78 A HA -0.105 4.218 4.320 0.005 0.000 0.218 78 A C 2.454 180.005 177.584 -0.054 0.000 1.175 78 A CA 1.696 53.698 52.037 -0.059 0.000 0.628 78 A CB -1.052 17.926 19.000 -0.037 0.000 0.814 78 A HN 0.545 nan 8.150 nan 0.000 0.444 79 A N -0.508 122.278 122.820 -0.057 0.000 1.898 79 A HA 0.028 4.351 4.320 0.005 0.000 0.216 79 A C 2.213 179.773 177.584 -0.040 0.000 1.181 79 A CA 1.714 53.755 52.037 0.006 0.000 0.620 79 A CB -0.926 18.137 19.000 0.104 0.000 0.819 79 A HN 0.404 nan 8.150 nan 0.000 0.442 80 V N 0.354 120.087 119.914 -0.301 0.000 2.343 80 V HA -0.300 3.823 4.120 0.005 0.000 0.247 80 V C 2.414 178.397 176.094 -0.186 0.000 1.051 80 V CA 2.400 64.419 62.300 -0.468 0.000 1.036 80 V CB -0.775 30.640 31.823 -0.680 0.000 0.654 80 V HN 0.545 nan 8.190 nan 0.000 0.451 81 K N -0.140 120.178 120.400 -0.136 0.000 2.097 81 K HA -0.143 4.180 4.320 0.005 0.000 0.206 81 K C 2.391 179.048 176.600 0.095 0.000 1.049 81 K CA 1.323 57.584 56.287 -0.044 0.000 0.933 81 K CB -0.257 32.246 32.500 0.005 0.000 0.717 81 K HN 0.423 nan 8.250 nan 0.000 0.442 82 R N 0.986 121.529 120.500 0.072 0.000 2.083 82 R HA -0.136 4.208 4.340 0.005 0.000 0.237 82 R C 1.823 178.184 176.300 0.102 0.000 1.137 82 R CA 1.615 57.775 56.100 0.100 0.000 0.951 82 R CB -0.318 30.010 30.300 0.046 0.000 0.851 82 R HN 0.214 nan 8.270 nan 0.000 0.434 83 D N 0.792 121.237 120.400 0.074 0.000 2.149 83 D HA -0.145 4.498 4.640 0.005 0.000 0.198 83 D C 1.949 178.274 176.300 0.041 0.000 0.990 83 D CA 1.075 55.119 54.000 0.074 0.000 0.839 83 D CB -0.100 40.774 40.800 0.124 0.000 0.948 83 D HN 0.207 nan 8.370 nan 0.000 0.460 84 L N 0.042 121.256 121.223 -0.015 0.000 2.109 84 L HA -0.119 4.224 4.340 0.005 0.000 0.207 84 L C 2.475 179.302 176.870 -0.072 0.000 1.086 84 L CA 0.803 55.584 54.840 -0.098 0.000 0.760 84 L CB -0.302 41.629 42.059 -0.214 0.000 0.910 84 L HN 0.151 nan 8.230 nan 0.000 0.437 85 H N -0.260 118.800 119.070 -0.016 0.000 2.353 85 H HA -0.104 4.455 4.556 0.005 0.000 0.300 85 H C 2.240 177.576 175.328 0.013 0.000 1.090 85 H CA 1.551 57.604 56.048 0.008 0.000 1.327 85 H CB 0.123 29.890 29.762 0.007 0.000 1.383 85 H HN 0.358 nan 8.280 nan 0.000 0.508 86 A N 1.067 123.972 122.820 0.142 0.000 1.902 86 A HA -0.131 4.192 4.320 0.005 0.000 0.217 86 A C 2.502 180.137 177.584 0.086 0.000 1.181 86 A CA 1.242 53.334 52.037 0.091 0.000 0.623 86 A CB -0.753 18.291 19.000 0.075 0.000 0.818 86 A HN 0.321 nan 8.150 nan 0.000 0.443 87 L N -0.707 120.574 121.223 0.097 0.000 2.079 87 L HA -0.172 4.171 4.340 0.005 0.000 0.210 87 L C 2.244 179.251 176.870 0.229 0.000 1.081 87 L CA 1.909 56.844 54.840 0.158 0.000 0.752 87 L CB -0.481 41.660 42.059 0.136 0.000 0.896 87 L HN 0.310 nan 8.230 nan 0.000 0.433 88 M N -0.455 119.226 119.600 0.134 0.000 2.144 88 M HA -0.150 4.333 4.480 0.005 0.000 0.260 88 M C 1.691 177.910 176.300 -0.136 0.000 1.067 88 M CA 2.103 57.427 55.300 0.040 0.000 1.095 88 M CB -1.811 30.619 32.600 -0.284 0.000 1.365 88 M HN 0.625 nan 8.290 nan 0.000 0.406 89 T N -4.077 110.409 114.554 -0.114 0.000 3.228 89 T HA 0.174 4.527 4.350 0.005 0.000 0.278 89 T C 0.320 174.991 174.700 -0.049 0.000 1.014 89 T CA -0.295 61.718 62.100 -0.145 0.000 0.904 89 T CB -0.431 68.370 68.868 -0.112 0.000 1.110 89 T HN 0.073 nan 8.240 nan 0.000 0.541 90 T N 2.767 117.353 114.554 0.053 0.000 3.364 90 T HA 0.379 4.732 4.350 0.005 0.000 0.323 90 T C 0.236 175.016 174.700 0.133 0.000 1.323 90 T CA -0.208 61.944 62.100 0.087 0.000 1.073 90 T CB 0.284 69.224 68.868 0.120 0.000 1.150 90 T HN 0.401 nan 8.240 nan 0.000 0.727 91 S N 3.434 119.131 115.700 -0.005 0.000 2.549 91 S HA 0.181 4.654 4.470 0.005 0.000 0.279 91 S C 0.020 174.627 174.600 0.012 0.000 1.321 91 S CA -0.615 57.556 58.200 -0.048 0.000 1.054 91 S CB 0.357 63.457 63.200 -0.168 0.000 0.899 91 S HN 0.440 nan 8.310 nan 0.000 0.497 92 Q N 2.817 122.600 119.800 -0.028 0.000 2.245 92 Q HA 0.277 4.620 4.340 0.005 0.000 0.256 92 Q C 0.183 176.002 176.000 -0.300 0.000 0.942 92 Q CA -0.650 54.991 55.803 -0.269 0.000 0.896 92 Q CB 1.494 29.731 28.738 -0.835 0.000 1.272 92 Q HN 0.693 nan 8.270 nan 0.000 0.442 93 D N 1.340 121.655 120.400 -0.142 0.000 2.269 93 D HA -0.112 4.531 4.640 0.005 0.000 0.208 93 D C 1.605 177.928 176.300 0.038 0.000 0.963 93 D CA 0.709 54.688 54.000 -0.035 0.000 0.864 93 D CB 0.147 40.980 40.800 0.055 0.000 0.936 93 D HN 0.689 nan 8.370 nan 0.000 0.505 94 W N -1.172 120.221 121.300 0.155 0.000 2.611 94 W HA -0.011 4.652 4.660 0.005 0.000 0.251 94 W C 0.372 177.103 176.519 0.354 0.000 1.265 94 W CA -0.119 57.344 57.345 0.197 0.000 1.295 94 W CB -0.508 29.052 29.460 0.168 0.000 1.129 94 W HN -0.029 nan 8.180 nan 0.000 0.630 95 W N 3.021 124.169 121.300 -0.253 0.000 1.896 95 W HA 0.241 4.904 4.660 0.005 0.000 0.302 95 W C -2.935 173.543 176.519 -0.070 0.000 1.016 95 W CA -1.805 55.470 57.345 -0.116 0.000 1.200 95 W CB 0.641 30.030 29.460 -0.118 0.000 1.226 95 W HN -0.365 nan 8.180 nan 0.000 0.308 96 P HA 0.088 nan 4.420 nan 0.000 0.269 96 P C -0.120 177.128 177.300 -0.086 0.000 1.209 96 P CA 0.454 63.477 63.100 -0.128 0.000 0.776 96 P CB 0.884 32.520 31.700 -0.107 0.000 0.876 97 A N 2.698 125.357 122.820 -0.270 0.000 2.409 97 A HA 0.165 4.488 4.320 0.005 0.000 0.267 97 A C 0.044 177.437 177.584 -0.319 0.000 1.127 97 A CA -0.296 51.413 52.037 -0.546 0.000 0.795 97 A CB -0.399 17.876 19.000 -1.210 0.000 1.061 97 A HN 0.435 nan 8.150 nan 0.000 0.502 98 D N 1.739 122.002 120.400 -0.228 0.000 2.455 98 D HA 0.198 4.841 4.640 0.005 0.000 0.241 98 D C 0.432 176.469 176.300 -0.437 0.000 1.138 98 D CA 0.658 54.312 54.000 -0.576 0.000 0.877 98 D CB -0.156 40.533 40.800 -0.185 0.000 1.187 98 D HN 0.501 nan 8.370 nan 0.000 0.451 99 F N 0.516 120.121 119.950 -0.575 0.000 3.048 99 F HA -0.274 4.256 4.527 0.005 0.000 0.287 99 F C 1.597 177.272 175.800 -0.207 0.000 0.796 99 F CA 0.609 58.422 58.000 -0.313 0.000 1.111 99 F CB -1.956 36.958 39.000 -0.145 0.000 1.320 99 F HN 0.644 nan 8.300 nan 0.000 0.430 100 G N -0.999 107.698 108.800 -0.173 0.000 2.162 100 G HA2 -0.321 3.643 3.960 0.005 0.000 0.260 100 G HA3 -0.321 3.643 3.960 0.005 0.000 0.260 100 G C -0.130 174.713 174.900 -0.095 0.000 0.976 100 G CA 0.346 45.369 45.100 -0.129 0.000 0.655 100 G HN 0.957 nan 8.290 nan 0.000 0.533 101 H N -1.410 117.572 119.070 -0.146 0.000 3.018 101 H HA 0.426 4.985 4.556 0.005 0.000 0.334 101 H C 0.027 175.331 175.328 -0.040 0.000 0.983 101 H CA -0.865 55.147 56.048 -0.060 0.000 1.363 101 H CB 0.772 30.570 29.762 0.060 0.000 1.668 101 H HN 0.030 nan 8.280 nan 0.000 0.513 102 Y N 2.962 123.356 120.300 0.156 0.000 2.578 102 Y HA 0.036 4.589 4.550 0.005 0.000 0.297 102 Y C 2.241 178.242 175.900 0.168 0.000 1.176 102 Y CA 0.844 58.962 58.100 0.029 0.000 1.315 102 Y CB -0.109 38.193 38.460 -0.262 0.000 1.031 102 Y HN 0.815 nan 8.280 nan 0.000 0.524 103 G N 0.187 109.405 108.800 0.696 0.000 2.491 103 G HA2 -0.305 3.658 3.960 0.005 0.000 0.218 103 G HA3 -0.305 3.658 3.960 0.005 0.000 0.218 103 G C 2.088 177.130 174.900 0.237 0.000 1.180 103 G CA 1.054 46.421 45.100 0.445 0.000 0.774 103 G HN 0.506 nan 8.290 nan 0.000 0.562 104 G N 0.604 109.542 108.800 0.231 0.000 2.418 104 G HA2 -0.127 3.836 3.960 0.005 0.000 0.217 104 G HA3 -0.127 3.836 3.960 0.005 0.000 0.217 104 G C 1.762 176.817 174.900 0.259 0.000 1.158 104 G CA 1.062 46.319 45.100 0.262 0.000 0.771 104 G HN 0.438 nan 8.290 nan 0.000 0.545 105 L N -0.495 120.856 121.223 0.213 0.000 2.083 105 L HA 0.139 4.482 4.340 0.005 0.000 0.209 105 L C 2.373 179.308 176.870 0.108 0.000 1.083 105 L CA 1.518 56.429 54.840 0.118 0.000 0.752 105 L CB -0.535 41.522 42.059 -0.003 0.000 0.899 105 L HN 0.158 nan 8.230 nan 0.000 0.433 106 F N -0.615 119.450 119.950 0.192 0.000 2.259 106 F HA -0.031 4.499 4.527 0.005 0.000 0.298 106 F C 2.303 178.204 175.800 0.169 0.000 1.088 106 F CA 0.864 58.952 58.000 0.146 0.000 1.358 106 F CB -0.635 38.440 39.000 0.126 0.000 1.040 106 F HN 0.030 nan 8.300 nan 0.000 0.505 107 I N -0.305 120.462 120.570 0.329 0.000 2.179 107 I HA -0.304 3.869 4.170 0.005 0.000 0.242 107 I C 2.712 179.094 176.117 0.441 0.000 1.088 107 I CA 1.272 62.742 61.300 0.283 0.000 1.357 107 I CB -0.401 37.625 38.000 0.042 0.000 1.051 107 I HN 0.015 nan 8.210 nan 0.000 0.409 108 R N 1.054 121.766 120.500 0.354 0.000 2.083 108 R HA -0.247 4.096 4.340 0.005 0.000 0.237 108 R C 2.434 178.810 176.300 0.127 0.000 1.137 108 R CA 1.867 58.149 56.100 0.303 0.000 0.951 108 R CB -0.311 30.076 30.300 0.147 0.000 0.851 108 R HN 0.285 nan 8.270 nan 0.000 0.434 109 M N 0.097 119.784 119.600 0.145 0.000 2.082 109 M HA -0.223 4.260 4.480 0.005 0.000 0.258 109 M C 2.167 178.568 176.300 0.169 0.000 1.071 109 M CA 2.436 57.811 55.300 0.125 0.000 1.103 109 M CB -0.262 32.484 32.600 0.244 0.000 1.307 109 M HN 0.360 nan 8.290 nan 0.000 0.409 110 A N 0.138 123.136 122.820 0.297 0.000 1.930 110 A HA -0.231 4.092 4.320 0.005 0.000 0.217 110 A C 2.053 179.782 177.584 0.241 0.000 1.175 110 A CA 1.426 53.624 52.037 0.268 0.000 0.627 110 A CB -1.569 17.693 19.000 0.436 0.000 0.815 110 A HN 0.939 nan 8.150 nan 0.000 0.443 111 W N 0.265 121.754 121.300 0.314 0.000 2.358 111 W HA -0.220 4.443 4.660 0.004 0.000 0.303 111 W C 1.753 178.422 176.519 0.250 0.000 1.208 111 W CA 1.781 59.290 57.345 0.274 0.000 1.274 111 W CB -0.579 29.180 29.460 0.497 0.000 1.138 111 W HN 0.594 nan 8.180 nan 0.000 0.515 112 H N -0.356 118.420 119.070 -0.490 0.000 2.428 112 H HA -0.135 4.424 4.556 0.005 0.000 0.296 112 H C 2.672 177.716 175.328 -0.473 0.000 1.062 112 H CA 1.169 56.804 56.048 -0.687 0.000 1.350 112 H CB -0.042 29.481 29.762 -0.399 0.000 1.403 112 H HN 0.114 nan 8.280 nan 0.000 0.533 113 S N 0.635 116.243 115.700 -0.155 0.000 2.353 113 S HA -0.195 4.278 4.470 0.005 0.000 0.222 113 S C 2.354 176.819 174.600 -0.225 0.000 1.035 113 S CA 1.222 59.315 58.200 -0.178 0.000 1.025 113 S CB -0.213 62.924 63.200 -0.106 0.000 0.902 113 S HN 0.499 nan 8.310 nan 0.000 0.440 114 A N 0.096 122.781 122.820 -0.224 0.000 2.067 114 A HA 0.303 4.626 4.320 0.005 0.000 0.217 114 A C 2.101 179.557 177.584 -0.213 0.000 1.156 114 A CA 1.213 53.119 52.037 -0.218 0.000 0.683 114 A CB -0.990 17.871 19.000 -0.232 0.000 0.808 114 A HN 0.618 nan 8.150 nan 0.000 0.455 115 G N -0.441 108.079 108.800 -0.467 0.000 2.848 115 G HA2 0.049 4.012 3.960 0.005 0.000 0.208 115 G HA3 0.049 4.012 3.960 0.005 0.000 0.208 115 G C 1.235 175.813 174.900 -0.537 0.000 1.152 115 G CA 1.321 45.997 45.100 -0.707 0.000 0.789 115 G HN 0.602 nan 8.290 nan 0.000 0.531 116 T N -2.840 111.535 114.554 -0.297 0.000 3.129 116 T HA 0.146 4.499 4.350 0.005 0.000 0.251 116 T C 0.750 175.537 174.700 0.146 0.000 1.117 116 T CA -0.640 61.400 62.100 -0.100 0.000 1.034 116 T CB -0.270 68.522 68.868 -0.126 0.000 0.968 116 T HN 0.178 nan 8.240 nan 0.000 0.526 117 Y N 3.052 123.344 120.300 -0.014 0.000 2.597 117 Y HA 0.405 4.958 4.550 0.004 0.000 0.336 117 Y C 0.087 176.026 175.900 0.066 0.000 1.216 117 Y CA -0.774 57.337 58.100 0.018 0.000 1.463 117 Y CB 0.434 38.875 38.460 -0.030 0.000 1.303 117 Y HN 0.049 nan 8.280 nan 0.000 0.576 118 R N 2.317 122.430 120.500 -0.644 0.000 2.575 118 R HA 0.234 4.577 4.340 0.005 0.000 0.293 118 R C 0.838 176.646 176.300 -0.821 0.000 0.983 118 R CA -0.005 55.805 56.100 -0.484 0.000 0.887 118 R CB 1.434 31.593 30.300 -0.234 0.000 1.184 118 R HN 0.771 nan 8.270 nan 0.000 0.445 119 T N -1.306 112.935 114.554 -0.522 0.000 3.035 119 T HA -0.078 4.276 4.350 0.005 0.000 0.268 119 T C 1.742 176.321 174.700 -0.201 0.000 1.109 119 T CA 0.932 62.834 62.100 -0.330 0.000 1.119 119 T CB 0.019 68.853 68.868 -0.057 0.000 0.900 119 T HN 0.531 nan 8.240 nan 0.000 0.503 120 A N 2.930 125.643 122.820 -0.178 0.000 1.902 120 A HA -0.074 4.249 4.320 0.005 0.000 0.217 120 A C 2.049 179.547 177.584 -0.143 0.000 1.181 120 A CA 1.739 53.701 52.037 -0.126 0.000 0.623 120 A CB -0.426 18.512 19.000 -0.104 0.000 0.818 120 A HN 0.739 nan 8.150 nan 0.000 0.443 121 D N -4.444 115.847 120.400 -0.181 0.000 2.520 121 D HA 0.297 4.940 4.640 0.005 0.000 0.223 121 D C 1.074 177.275 176.300 -0.165 0.000 1.186 121 D CA 0.899 54.804 54.000 -0.159 0.000 0.821 121 D CB -0.507 40.203 40.800 -0.152 0.000 1.072 121 D HN 0.846 nan 8.370 nan 0.000 0.518 122 G N 0.830 109.488 108.800 -0.237 0.000 2.184 122 G HA2 -0.346 3.617 3.960 0.005 0.000 0.264 122 G HA3 -0.346 3.617 3.960 0.005 0.000 0.264 122 G C 0.363 175.207 174.900 -0.093 0.000 0.975 122 G CA 0.180 45.189 45.100 -0.153 0.000 0.642 122 G HN 0.443 nan 8.290 nan 0.000 0.536 123 R N 0.276 120.673 120.500 -0.172 0.000 2.637 123 R HA 0.529 4.872 4.340 0.005 0.000 0.269 123 R C 1.113 177.384 176.300 -0.049 0.000 1.089 123 R CA 0.593 56.618 56.100 -0.124 0.000 1.177 123 R CB 0.466 30.633 30.300 -0.221 0.000 1.091 123 R HN 1.477 nan 8.270 nan 0.000 0.540 124 G N -0.499 108.323 108.800 0.038 0.000 2.725 124 G HA2 0.191 4.154 3.960 0.005 0.000 0.220 124 G HA3 0.191 4.154 3.960 0.005 0.000 0.220 124 G C 0.038 175.046 174.900 0.180 0.000 1.357 124 G CA -0.377 44.847 45.100 0.207 0.000 0.866 124 G HN 1.148 nan 8.290 nan 0.000 0.548 125 G N -2.462 106.414 108.800 0.126 0.000 2.710 125 G HA2 0.438 4.401 3.960 0.005 0.000 0.668 125 G HA3 0.438 4.401 3.960 0.005 0.000 0.668 125 G C 0.939 175.783 174.900 -0.093 0.000 1.320 125 G CA 1.108 46.213 45.100 0.008 0.000 0.860 125 G HN 2.502 nan 8.290 nan 0.000 0.538 126 A N -0.492 122.226 122.820 -0.170 0.000 2.238 126 A HA 0.545 4.868 4.320 0.005 0.000 0.210 126 A C 2.519 179.999 177.584 -0.173 0.000 1.179 126 A CA 1.597 53.525 52.037 -0.182 0.000 0.827 126 A CB -0.336 18.526 19.000 -0.230 0.000 0.856 126 A HN 2.302 nan 8.150 nan 0.000 0.488 127 G N -0.235 108.461 108.800 -0.173 0.000 2.559 127 G HA2 -0.090 3.873 3.960 0.005 0.000 0.216 127 G HA3 -0.090 3.873 3.960 0.005 0.000 0.216 127 G C 0.999 175.813 174.900 -0.144 0.000 1.126 127 G CA 0.893 45.889 45.100 -0.174 0.000 0.778 127 G HN 0.634 nan 8.290 nan 0.000 0.543 128 E N -1.030 119.095 120.200 -0.124 0.000 2.630 128 E HA 0.286 4.639 4.350 0.005 0.000 0.218 128 E C 1.350 177.878 176.600 -0.119 0.000 0.977 128 E CA 0.063 56.388 56.400 -0.125 0.000 1.038 128 E CB 0.698 30.332 29.700 -0.111 0.000 1.051 128 E HN 0.265 nan 8.360 nan 0.000 0.487 129 G N 2.307 111.032 108.800 -0.125 0.000 2.198 129 G HA2 -0.321 3.642 3.960 0.005 0.000 0.260 129 G HA3 -0.321 3.642 3.960 0.005 0.000 0.260 129 G C 0.835 175.624 174.900 -0.184 0.000 1.025 129 G CA 0.243 45.253 45.100 -0.150 0.000 0.769 129 G HN 0.207 nan 8.290 nan 0.000 0.507 130 Q N -0.795 118.943 119.800 -0.104 0.000 2.482 130 Q HA 0.013 4.356 4.340 0.005 0.000 0.209 130 Q C 2.279 178.171 176.000 -0.180 0.000 0.961 130 Q CA 1.036 56.826 55.803 -0.022 0.000 0.945 130 Q CB 0.078 28.841 28.738 0.041 0.000 1.012 130 Q HN 0.890 nan 8.270 nan 0.000 0.515 131 Q N 1.202 120.838 119.800 -0.273 0.000 2.364 131 Q HA -0.151 4.192 4.340 0.005 0.000 0.209 131 Q C 1.720 177.487 176.000 -0.389 0.000 0.977 131 Q CA 0.878 56.485 55.803 -0.327 0.000 0.885 131 Q CB 0.165 28.742 28.738 -0.269 0.000 0.941 131 Q HN 0.330 nan 8.270 nan 0.000 0.464 132 R N -1.303 118.863 120.500 -0.556 0.000 2.310 132 R HA 0.106 4.449 4.340 0.005 0.000 0.202 132 R C -0.289 175.554 176.300 -0.760 0.000 0.933 132 R CA -0.039 55.604 56.100 -0.762 0.000 1.054 132 R CB 0.191 29.827 30.300 -1.108 0.000 0.985 132 R HN 0.013 nan 8.270 nan 0.000 0.489 133 F N 0.807 120.615 119.950 -0.237 0.000 2.557 133 F HA 0.594 5.124 4.527 0.005 0.000 0.336 133 F C 0.596 176.298 175.800 -0.163 0.000 1.058 133 F CA -1.521 56.376 58.000 -0.171 0.000 0.988 133 F CB 1.128 40.057 39.000 -0.119 0.000 1.275 133 F HN -0.079 nan 8.300 nan 0.000 0.488 134 A N 1.856 124.753 122.820 0.128 0.000 2.445 134 A HA 0.281 4.604 4.320 0.005 0.000 0.242 134 A C -1.758 175.865 177.584 0.065 0.000 1.075 134 A CA -0.907 51.161 52.037 0.051 0.000 0.777 134 A CB -0.297 18.745 19.000 0.069 0.000 1.013 134 A HN 0.569 nan 8.150 nan 0.000 0.493 135 P HA 0.054 nan 4.420 nan 0.000 0.245 135 P C 1.181 178.316 177.300 -0.274 0.000 1.203 135 P CA 0.386 63.509 63.100 0.038 0.000 0.792 135 P CB 0.151 32.024 31.700 0.289 0.000 0.997 136 L N 1.141 121.998 121.223 -0.611 0.000 2.131 136 L HA -0.163 4.180 4.340 0.005 0.000 0.210 136 L C 2.302 178.878 176.870 -0.490 0.000 1.092 136 L CA 1.741 55.968 54.840 -1.022 0.000 0.759 136 L CB -1.214 40.306 42.059 -0.899 0.000 0.903 136 L HN 0.123 nan 8.230 nan 0.000 0.435 137 N N -1.248 117.277 118.700 -0.292 0.000 2.513 137 N HA -0.159 4.584 4.740 0.005 0.000 0.187 137 N C 1.113 176.599 175.510 -0.039 0.000 1.056 137 N CA 1.294 54.242 53.050 -0.171 0.000 0.907 137 N CB -0.261 38.103 38.487 -0.204 0.000 0.954 137 N HN 0.097 nan 8.380 nan 0.000 0.445 138 S N -1.679 113.990 115.700 -0.053 0.000 2.819 138 S HA 0.176 4.649 4.470 0.005 0.000 0.249 138 S C -0.726 173.889 174.600 0.026 0.000 1.030 138 S CA -0.802 57.365 58.200 -0.056 0.000 1.052 138 S CB 0.117 63.200 63.200 -0.194 0.000 1.017 138 S HN 0.238 nan 8.310 nan 0.000 0.576 139 W N 3.021 124.182 121.300 -0.232 0.000 2.158 139 W HA 0.263 4.926 4.660 0.005 0.000 0.339 139 W C -2.018 174.347 176.519 -0.255 0.000 1.294 139 W CA -2.015 55.064 57.345 -0.443 0.000 1.231 139 W CB -0.311 28.957 29.460 -0.319 0.000 1.143 139 W HN 0.090 nan 8.180 nan 0.000 0.571 140 P HA -0.210 nan 4.420 nan 0.000 0.215 140 P C 1.196 178.410 177.300 -0.143 0.000 1.153 140 P CA 1.859 64.876 63.100 -0.138 0.000 0.853 140 P CB 0.331 31.941 31.700 -0.150 0.000 0.788 141 D N -1.627 118.744 120.400 -0.048 0.000 2.309 141 D HA -0.081 4.562 4.640 0.005 0.000 0.212 141 D C 0.846 177.206 176.300 0.100 0.000 0.968 141 D CA 0.825 54.844 54.000 0.032 0.000 0.882 141 D CB -0.565 40.234 40.800 -0.002 0.000 0.918 141 D HN 0.045 nan 8.370 nan 0.000 0.503 142 N N -0.046 118.664 118.700 0.017 0.000 2.251 142 N HA 0.189 4.932 4.740 0.005 0.000 0.217 142 N C -0.421 174.823 175.510 -0.443 0.000 1.124 142 N CA -0.105 52.922 53.050 -0.037 0.000 0.843 142 N CB 0.436 38.939 38.487 0.027 0.000 1.024 142 N HN -0.003 nan 8.380 nan 0.000 0.501 143 A N 0.903 123.184 122.820 -0.899 0.000 2.531 143 A HA 0.117 4.440 4.320 0.005 0.000 0.236 143 A C 1.019 178.037 177.584 -0.943 0.000 1.062 143 A CA 0.053 50.956 52.037 -1.889 0.000 0.760 143 A CB 0.028 18.069 19.000 -1.599 0.000 0.995 143 A HN 0.464 nan 8.150 nan 0.000 0.501 144 N N -0.210 118.009 118.700 -0.802 0.000 2.857 144 N HA -0.196 4.547 4.740 0.005 0.000 0.242 144 N C 0.777 176.075 175.510 -0.354 0.000 0.983 144 N CA 1.601 54.360 53.050 -0.484 0.000 0.934 144 N CB -1.286 36.897 38.487 -0.507 0.000 1.115 144 N HN 0.681 nan 8.380 nan 0.000 0.593 145 L N 1.147 122.219 121.223 -0.251 0.000 2.362 145 L HA -0.125 4.218 4.340 0.005 0.000 0.219 145 L C 2.143 178.964 176.870 -0.081 0.000 1.134 145 L CA 1.381 56.139 54.840 -0.137 0.000 0.807 145 L CB -0.412 41.584 42.059 -0.106 0.000 0.927 145 L HN 0.237 nan 8.230 nan 0.000 0.447 146 D N 0.236 120.621 120.400 -0.025 0.000 2.149 146 D HA -0.228 4.416 4.640 0.005 0.000 0.198 146 D C 1.703 177.963 176.300 -0.067 0.000 0.990 146 D CA 1.185 55.163 54.000 -0.037 0.000 0.839 146 D CB -0.200 40.614 40.800 0.023 0.000 0.948 146 D HN 0.183 nan 8.370 nan 0.000 0.460 147 K N 1.179 121.481 120.400 -0.163 0.000 2.057 147 K HA 0.079 4.402 4.320 0.005 0.000 0.206 147 K C 2.399 179.006 176.600 0.013 0.000 1.050 147 K CA 1.211 57.439 56.287 -0.098 0.000 0.935 147 K CB -0.922 31.158 32.500 -0.701 0.000 0.715 147 K HN 0.276 nan 8.250 nan 0.000 0.439 148 A N 2.115 124.885 122.820 -0.082 0.000 1.873 148 A HA -0.220 4.103 4.320 0.005 0.000 0.218 148 A C 2.285 180.040 177.584 0.284 0.000 1.193 148 A CA 1.786 53.856 52.037 0.056 0.000 0.629 148 A CB -0.508 18.527 19.000 0.058 0.000 0.826 148 A HN 0.286 nan 8.150 nan 0.000 0.447 149 R N -1.402 119.202 120.500 0.174 0.000 2.096 149 R HA -0.136 4.207 4.340 0.005 0.000 0.235 149 R C 2.417 178.918 176.300 0.334 0.000 1.127 149 R CA 1.525 57.750 56.100 0.209 0.000 0.968 149 R CB -0.295 29.939 30.300 -0.110 0.000 0.861 149 R HN 0.434 nan 8.270 nan 0.000 0.440 150 R N 1.451 122.096 120.500 0.243 0.000 2.115 150 R HA -0.030 4.313 4.340 0.005 0.000 0.230 150 R C 1.944 178.541 176.300 0.496 0.000 1.111 150 R CA 1.196 57.481 56.100 0.309 0.000 0.976 150 R CB -0.585 29.787 30.300 0.120 0.000 0.870 150 R HN 0.209 nan 8.270 nan 0.000 0.445 151 L N -0.128 121.392 121.223 0.495 0.000 2.275 151 L HA -0.083 4.260 4.340 0.005 0.000 0.215 151 L C 1.660 178.747 176.870 0.361 0.000 1.119 151 L CA 0.828 55.915 54.840 0.412 0.000 0.790 151 L CB -0.176 41.988 42.059 0.175 0.000 0.919 151 L HN 0.206 nan 8.230 nan 0.000 0.443 152 L N -1.732 119.727 121.223 0.393 0.000 2.567 152 L HA -0.099 4.244 4.340 0.005 0.000 0.225 152 L C 2.136 179.145 176.870 0.232 0.000 1.119 152 L CA 0.059 55.048 54.840 0.249 0.000 0.871 152 L CB -0.365 41.843 42.059 0.248 0.000 1.036 152 L HN 0.488 nan 8.230 nan 0.000 0.459 153 W N 2.993 124.436 121.300 0.239 0.000 2.338 153 W HA -0.165 4.498 4.660 0.005 0.000 0.304 153 W C -1.032 175.522 176.519 0.058 0.000 1.212 153 W CA 1.238 58.687 57.345 0.173 0.000 1.264 153 W CB -1.032 28.579 29.460 0.252 0.000 1.142 153 W HN 0.110 nan 8.180 nan 0.000 0.512 154 P HA -0.190 nan 4.420 nan 0.000 0.216 154 P C 1.758 178.849 177.300 -0.348 0.000 1.153 154 P CA 2.152 65.011 63.100 -0.402 0.000 0.848 154 P CB -0.286 31.342 31.700 -0.119 0.000 0.787 155 I N -0.768 119.697 120.570 -0.176 0.000 2.202 155 I HA -0.253 3.921 4.170 0.005 0.000 0.242 155 I C 2.376 178.414 176.117 -0.132 0.000 1.091 155 I CA 1.373 62.627 61.300 -0.076 0.000 1.368 155 I CB -0.361 37.638 38.000 -0.001 0.000 1.058 155 I HN -0.138 nan 8.210 nan 0.000 0.410 156 K N 1.131 121.353 120.400 -0.295 0.000 2.063 156 K HA -0.277 4.046 4.320 0.005 0.000 0.208 156 K C 2.130 178.514 176.600 -0.360 0.000 1.048 156 K CA 1.712 57.775 56.287 -0.374 0.000 0.928 156 K CB -0.308 31.796 32.500 -0.660 0.000 0.713 156 K HN 0.317 nan 8.250 nan 0.000 0.442 157 Q N 0.284 119.632 119.800 -0.754 0.000 2.084 157 Q HA -0.207 4.136 4.340 0.005 0.000 0.202 157 Q C 1.995 177.744 176.000 -0.418 0.000 0.978 157 Q CA 1.860 57.184 55.803 -0.798 0.000 0.844 157 Q CB -0.142 27.757 28.738 -1.399 0.000 0.898 157 Q HN 0.349 nan 8.270 nan 0.000 0.426 158 K N -0.861 119.284 120.400 -0.425 0.000 2.097 158 K HA -0.159 4.164 4.320 0.005 0.000 0.205 158 K C 1.192 177.480 176.600 -0.519 0.000 1.050 158 K CA 1.308 57.316 56.287 -0.464 0.000 0.938 158 K CB -0.022 32.133 32.500 -0.574 0.000 0.718 158 K HN 0.311 nan 8.250 nan 0.000 0.442 159 Y N -0.057 120.161 120.300 -0.136 0.000 2.497 159 Y HA 0.181 4.734 4.550 0.005 0.000 0.265 159 Y C 1.548 177.433 175.900 -0.024 0.000 1.111 159 Y CA 0.264 58.321 58.100 -0.071 0.000 1.288 159 Y CB 0.444 38.865 38.460 -0.064 0.000 1.082 159 Y HN 0.343 nan 8.280 nan 0.000 0.536 160 G N 1.753 110.587 108.800 0.057 0.000 2.611 160 G HA2 -0.435 3.528 3.960 0.005 0.000 0.301 160 G HA3 -0.435 3.528 3.960 0.005 0.000 0.301 160 G C 1.186 176.186 174.900 0.167 0.000 1.233 160 G CA 0.764 45.915 45.100 0.084 0.000 0.993 160 G HN 0.484 nan 8.290 nan 0.000 0.553 161 R N 0.926 121.543 120.500 0.195 0.000 2.276 161 R HA 0.448 4.791 4.340 0.005 0.000 0.203 161 R C 2.482 179.086 176.300 0.506 0.000 1.017 161 R CA 1.711 57.990 56.100 0.297 0.000 1.010 161 R CB -0.284 30.102 30.300 0.144 0.000 0.900 161 R HN 1.029 nan 8.270 nan 0.000 0.469 162 A N 1.350 124.393 122.820 0.371 0.000 2.168 162 A HA 0.149 4.472 4.320 0.005 0.000 0.215 162 A C 1.076 178.929 177.584 0.448 0.000 1.152 162 A CA 0.376 52.620 52.037 0.345 0.000 0.716 162 A CB 0.016 19.128 19.000 0.187 0.000 0.794 162 A HN 0.434 nan 8.150 nan 0.000 0.465 163 I N 0.819 121.659 120.570 0.449 0.000 2.478 163 I HA 0.274 4.447 4.170 0.005 0.000 0.287 163 I C 0.110 176.418 176.117 0.318 0.000 1.042 163 I CA -0.687 60.898 61.300 0.475 0.000 1.067 163 I CB 1.903 40.046 38.000 0.239 0.000 1.233 163 I HN 0.214 nan 8.210 nan 0.000 0.431 164 S N 4.510 120.379 115.700 0.281 0.000 2.600 164 S HA 0.136 4.609 4.470 0.005 0.000 0.265 164 S C 0.686 175.297 174.600 0.020 0.000 1.325 164 S CA -0.252 57.918 58.200 -0.049 0.000 1.002 164 S CB 0.704 63.641 63.200 -0.438 0.000 0.921 164 S HN 0.806 nan 8.310 nan 0.000 0.554 165 W N 0.966 122.229 121.300 -0.060 0.000 2.342 165 W HA -0.053 4.609 4.660 0.005 0.000 0.297 165 W C 2.770 179.232 176.519 -0.095 0.000 1.213 165 W CA 1.163 58.468 57.345 -0.067 0.000 1.251 165 W CB -0.576 28.798 29.460 -0.143 0.000 1.136 165 W HN 0.925 nan 8.180 nan 0.000 0.526 166 A N -0.018 122.861 122.820 0.098 0.000 1.902 166 A HA -0.226 4.097 4.320 0.005 0.000 0.217 166 A C 1.649 179.241 177.584 0.013 0.000 1.181 166 A CA 2.178 54.211 52.037 -0.008 0.000 0.623 166 A CB -0.778 18.156 19.000 -0.110 0.000 0.818 166 A HN 0.153 nan 8.150 nan 0.000 0.443 167 D N -0.661 119.768 120.400 0.047 0.000 2.123 167 D HA -0.080 4.563 4.640 0.005 0.000 0.200 167 D C 1.849 178.262 176.300 0.187 0.000 0.976 167 D CA 0.951 55.046 54.000 0.158 0.000 0.831 167 D CB -0.370 40.574 40.800 0.240 0.000 0.974 167 D HN 0.304 nan 8.370 nan 0.000 0.469 168 L N 0.857 122.150 121.223 0.117 0.000 2.042 168 L HA -0.150 4.193 4.340 0.005 0.000 0.210 168 L C 2.155 179.051 176.870 0.043 0.000 1.076 168 L CA 1.420 56.280 54.840 0.034 0.000 0.749 168 L CB -0.532 41.496 42.059 -0.052 0.000 0.893 168 L HN 0.034 nan 8.230 nan 0.000 0.432 169 L N -1.298 119.996 121.223 0.118 0.000 2.012 169 L HA -0.254 4.089 4.340 0.005 0.000 0.210 169 L C 2.476 179.394 176.870 0.081 0.000 1.073 169 L CA 0.992 55.893 54.840 0.102 0.000 0.748 169 L CB -0.757 41.357 42.059 0.091 0.000 0.891 169 L HN 0.278 nan 8.230 nan 0.000 0.431 170 I N -0.385 120.240 120.570 0.091 0.000 2.286 170 I HA -0.227 3.946 4.170 0.005 0.000 0.245 170 I C 2.476 178.677 176.117 0.141 0.000 1.104 170 I CA 1.222 62.606 61.300 0.140 0.000 1.397 170 I CB -1.004 37.069 38.000 0.121 0.000 1.072 170 I HN 0.225 nan 8.210 nan 0.000 0.417 171 L N 0.766 121.968 121.223 -0.034 0.000 2.042 171 L HA -0.191 4.152 4.340 0.005 0.000 0.210 171 L C 2.430 179.162 176.870 -0.230 0.000 1.076 171 L CA 2.022 56.594 54.840 -0.445 0.000 0.749 171 L CB -0.998 40.701 42.059 -0.599 0.000 0.893 171 L HN 0.173 nan 8.230 nan 0.000 0.432 172 T N -0.596 113.855 114.554 -0.172 0.000 2.746 172 T HA -0.112 4.241 4.350 0.005 0.000 0.267 172 T C 1.713 176.350 174.700 -0.104 0.000 1.039 172 T CA 1.249 63.201 62.100 -0.247 0.000 1.142 172 T CB -0.928 67.693 68.868 -0.411 0.000 0.866 172 T HN 0.597 nan 8.240 nan 0.000 0.444 173 G N 1.681 110.540 108.800 0.097 0.000 2.418 173 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 173 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 173 G C 1.637 176.624 174.900 0.146 0.000 1.158 173 G CA 0.865 46.121 45.100 0.261 0.000 0.771 173 G HN 0.397 nan 8.290 nan 0.000 0.545 174 N N 0.199 119.028 118.700 0.214 0.000 2.104 174 N HA -0.104 4.639 4.740 0.005 0.000 0.190 174 N C 2.248 177.729 175.510 -0.048 0.000 1.024 174 N CA 1.158 54.283 53.050 0.126 0.000 0.853 174 N CB -0.485 38.100 38.487 0.163 0.000 1.008 174 N HN 0.187 nan 8.380 nan 0.000 0.424 175 V N 0.867 120.701 119.914 -0.132 0.000 2.427 175 V HA -0.162 3.961 4.120 0.005 0.000 0.248 175 V C 2.247 178.212 176.094 -0.216 0.000 1.051 175 V CA 1.643 63.786 62.300 -0.261 0.000 1.048 175 V CB -0.999 30.592 31.823 -0.387 0.000 0.666 175 V HN 0.330 nan 8.190 nan 0.000 0.456 176 A N 0.090 122.846 122.820 -0.107 0.000 1.883 176 A HA -0.208 4.115 4.320 0.005 0.000 0.217 176 A C 2.218 179.718 177.584 -0.140 0.000 1.186 176 A CA 2.039 54.076 52.037 -0.000 0.000 0.624 176 A CB -0.616 18.441 19.000 0.095 0.000 0.822 176 A HN 0.494 nan 8.150 nan 0.000 0.444 177 L N -0.822 120.245 121.223 -0.259 0.000 2.012 177 L HA -0.242 4.101 4.340 0.005 0.000 0.210 177 L C 2.649 179.489 176.870 -0.050 0.000 1.073 177 L CA 1.918 56.574 54.840 -0.307 0.000 0.748 177 L CB -0.615 41.228 42.059 -0.360 0.000 0.891 177 L HN 0.483 nan 8.230 nan 0.000 0.431 178 E N -0.839 119.354 120.200 -0.011 0.000 2.106 178 E HA -0.200 4.153 4.350 0.005 0.000 0.192 178 E C 2.335 179.042 176.600 0.179 0.000 0.984 178 E CA 1.240 57.689 56.400 0.081 0.000 0.806 178 E CB -0.092 29.672 29.700 0.106 0.000 0.750 178 E HN 0.289 nan 8.360 nan 0.000 0.458 179 S N 0.379 116.190 115.700 0.186 0.000 2.383 179 S HA -0.120 4.353 4.470 0.005 0.000 0.229 179 S C 1.714 176.456 174.600 0.237 0.000 1.030 179 S CA 1.082 59.466 58.200 0.308 0.000 1.002 179 S CB -0.015 63.373 63.200 0.313 0.000 0.829 179 S HN 0.179 nan 8.310 nan 0.000 0.467 180 M N 0.234 119.914 119.600 0.134 0.000 2.453 180 M HA 0.255 4.738 4.480 0.005 0.000 0.239 180 M C 1.145 177.624 176.300 0.298 0.000 1.151 180 M CA 0.504 55.887 55.300 0.138 0.000 0.989 180 M CB 0.607 33.220 32.600 0.021 0.000 1.548 180 M HN 0.517 nan 8.290 nan 0.000 0.479 181 G N 1.319 110.265 108.800 0.244 0.000 2.134 181 G HA2 -0.262 3.701 3.960 0.005 0.000 0.209 181 G HA3 -0.262 3.701 3.960 0.005 0.000 0.209 181 G C -0.417 174.624 174.900 0.235 0.000 0.993 181 G CA -0.590 44.658 45.100 0.245 0.000 0.669 181 G HN 0.458 nan 8.290 nan 0.000 0.519 182 F N 1.751 121.693 119.950 -0.013 0.000 2.426 182 F HA 0.646 5.176 4.527 0.005 0.000 0.348 182 F C 0.435 176.093 175.800 -0.237 0.000 1.124 182 F CA -1.277 56.552 58.000 -0.285 0.000 1.008 182 F CB 1.178 39.953 39.000 -0.376 0.000 1.139 182 F HN 0.003 nan 8.300 nan 0.000 0.452 183 K N 5.578 125.488 120.400 -0.816 0.000 2.349 183 K HA 0.190 4.514 4.320 0.005 0.000 0.289 183 K C -0.074 176.122 176.600 -0.674 0.000 1.064 183 K CA -0.223 55.719 56.287 -0.575 0.000 0.947 183 K CB 0.387 32.602 32.500 -0.476 0.000 1.007 183 K HN 0.806 nan 8.250 nan 0.000 0.478 184 T N 1.163 115.574 114.554 -0.238 0.000 2.849 184 T HA 0.115 4.469 4.350 0.005 0.000 0.284 184 T C 0.765 175.485 174.700 0.033 0.000 1.004 184 T CA -0.631 61.462 62.100 -0.010 0.000 1.021 184 T CB 0.615 69.580 68.868 0.161 0.000 1.013 184 T HN 0.529 nan 8.240 nan 0.000 0.527 185 F N 1.028 120.965 119.950 -0.022 0.000 2.710 185 F HA 0.412 4.942 4.527 0.005 0.000 0.298 185 F C 1.236 176.917 175.800 -0.199 0.000 1.137 185 F CA 0.904 58.832 58.000 -0.120 0.000 1.444 185 F CB -0.438 38.507 39.000 -0.092 0.000 1.111 185 F HN 1.231 nan 8.300 nan 0.000 0.580 186 G N -0.465 108.349 108.800 0.025 0.000 2.357 186 G HA2 0.258 4.221 3.960 0.005 0.000 0.289 186 G HA3 0.258 4.221 3.960 0.005 0.000 0.289 186 G C -2.006 173.111 174.900 0.362 0.000 1.302 186 G CA -0.502 44.589 45.100 -0.015 0.000 0.936 186 G HN 0.280 nan 8.290 nan 0.000 0.513 187 F N 0.055 120.119 119.950 0.189 0.000 2.654 187 F HA 0.755 5.286 4.527 0.006 0.000 0.314 187 F C -0.698 175.277 175.800 0.292 0.000 1.116 187 F CA 0.080 58.291 58.000 0.351 0.000 1.017 187 F CB 1.418 40.577 39.000 0.264 0.000 1.285 187 F HN 1.538 nan 8.300 nan 0.000 0.448 188 A N 3.418 125.922 122.820 -0.527 0.000 2.355 188 A HA 0.811 5.134 4.320 0.005 0.000 0.317 188 A C -0.195 176.695 177.584 -1.157 0.000 1.094 188 A CA -0.206 51.483 52.037 -0.579 0.000 0.764 188 A CB 1.027 19.727 19.000 -0.501 0.000 1.230 188 A HN 1.339 nan 8.150 nan 0.000 0.448 189 G N -0.422 107.894 108.800 -0.807 0.000 2.588 189 G HA2 0.554 4.517 3.960 0.005 0.000 0.281 189 G HA3 0.554 4.517 3.960 0.005 0.000 0.281 189 G C 0.830 175.262 174.900 -0.780 0.000 1.236 189 G CA -0.027 44.418 45.100 -1.092 0.000 0.969 189 G HN 2.162 nan 8.290 nan 0.000 0.504 190 G N -1.422 107.031 108.800 -0.578 0.000 2.234 190 G HA2 -0.165 3.798 3.960 0.005 0.000 0.153 190 G HA3 -0.165 3.798 3.960 0.005 0.000 0.153 190 G C 0.366 175.272 174.900 0.009 0.000 1.013 190 G CA -0.460 44.526 45.100 -0.191 0.000 0.712 190 G HN 0.717 nan 8.290 nan 0.000 0.491 191 R N 1.282 121.745 120.500 -0.062 0.000 2.309 191 R HA 0.579 4.922 4.340 0.005 0.000 0.331 191 R C 0.877 177.056 176.300 -0.201 0.000 1.116 191 R CA 0.502 56.528 56.100 -0.123 0.000 0.970 191 R CB 0.819 31.012 30.300 -0.178 0.000 1.024 191 R HN 0.445 nan 8.270 nan 0.000 0.472 192 A N 3.078 125.811 122.820 -0.144 0.000 2.445 192 A HA 0.060 4.383 4.320 0.005 0.000 0.242 192 A C -0.028 177.389 177.584 -0.279 0.000 1.075 192 A CA -0.441 51.410 52.037 -0.309 0.000 0.777 192 A CB 0.316 19.320 19.000 0.007 0.000 1.013 192 A HN 0.548 nan 8.150 nan 0.000 0.493 193 D N 0.633 120.839 120.400 -0.323 0.000 2.357 193 D HA 0.407 5.050 4.640 0.005 0.000 0.242 193 D C 0.836 176.856 176.300 -0.467 0.000 1.153 193 D CA 0.859 54.627 54.000 -0.386 0.000 0.918 193 D CB 1.035 41.520 40.800 -0.525 0.000 1.181 193 D HN 0.699 nan 8.370 nan 0.000 0.435 194 T N -2.281 111.935 114.554 -0.563 0.000 2.927 194 T HA 0.516 4.869 4.350 0.005 0.000 0.286 194 T C 0.148 174.392 174.700 -0.760 0.000 1.040 194 T CA -0.771 61.017 62.100 -0.521 0.000 1.010 194 T CB 1.210 69.953 68.868 -0.208 0.000 1.177 194 T HN 0.537 nan 8.240 nan 0.000 0.546 195 W N 0.042 121.409 121.300 0.111 0.000 2.555 195 W HA 0.319 4.983 4.660 0.005 0.000 0.324 195 W C 0.575 176.823 176.519 -0.451 0.000 0.973 195 W CA -0.616 56.732 57.345 0.006 0.000 1.481 195 W CB 0.695 30.196 29.460 0.068 0.000 1.064 195 W HN 0.943 nan 8.180 nan 0.000 0.543 196 E N -0.307 119.602 120.200 -0.484 0.000 2.449 196 E HA 0.454 4.807 4.350 0.005 0.000 0.278 196 E C -2.868 173.328 176.600 -0.673 0.000 0.992 196 E CA -2.605 53.373 56.400 -0.703 0.000 0.807 196 E CB 1.893 31.387 29.700 -0.344 0.000 1.350 196 E HN -0.386 nan 8.360 nan 0.000 0.462 197 P HA 0.102 nan 4.420 nan 0.000 0.269 197 P C -0.853 176.435 177.300 -0.019 0.000 1.209 197 P CA 0.152 63.160 63.100 -0.154 0.000 0.776 197 P CB 0.699 32.371 31.700 -0.048 0.000 0.876 198 A N 2.227 125.114 122.820 0.111 0.000 2.257 198 A HA 0.323 4.646 4.320 0.005 0.000 0.289 198 A C -0.134 177.506 177.584 0.093 0.000 1.095 198 A CA -0.414 51.731 52.037 0.180 0.000 0.836 198 A CB 0.211 19.301 19.000 0.150 0.000 1.111 198 A HN 0.450 nan 8.150 nan 0.000 0.497 199 D N 1.248 121.682 120.400 0.056 0.000 2.485 199 D HA 0.414 5.057 4.640 0.005 0.000 0.221 199 D C -0.954 175.305 176.300 -0.068 0.000 1.112 199 D CA 0.291 54.295 54.000 0.007 0.000 0.911 199 D CB 1.098 41.894 40.800 -0.006 0.000 1.019 199 D HN 0.128 nan 8.370 nan 0.000 0.516 200 V N 2.764 122.590 119.914 -0.147 0.000 2.628 200 V HA 0.147 4.270 4.120 0.005 0.000 0.306 200 V C -0.409 175.363 176.094 -0.537 0.000 1.045 200 V CA -1.043 60.965 62.300 -0.488 0.000 0.905 200 V CB 1.972 33.196 31.823 -0.999 0.000 0.997 200 V HN 0.353 nan 8.190 nan 0.000 0.436 201 Y N 3.038 123.026 120.300 -0.520 0.000 2.584 201 Y HA 0.224 4.777 4.550 0.005 0.000 0.351 201 Y C 0.162 175.832 175.900 -0.382 0.000 1.030 201 Y CA -0.711 57.191 58.100 -0.330 0.000 1.332 201 Y CB 0.554 38.888 38.460 -0.209 0.000 1.148 201 Y HN 0.763 nan 8.280 nan 0.000 0.528 202 W N 4.263 125.304 121.300 -0.431 0.000 3.220 202 W HA 0.497 5.160 4.660 0.005 0.000 0.328 202 W C 0.747 176.913 176.519 -0.589 0.000 1.205 202 W CA 0.486 57.640 57.345 -0.318 0.000 1.773 202 W CB 0.453 29.955 29.460 0.070 0.000 1.086 202 W HN 0.962 nan 8.180 nan 0.000 0.622 203 G N -0.624 107.514 108.800 -1.103 0.000 2.340 203 G HA2 -0.026 3.937 3.960 0.005 0.000 0.527 203 G HA3 -0.026 3.937 3.960 0.005 0.000 0.527 203 G C -0.040 174.617 174.900 -0.405 0.000 1.381 203 G CA -0.394 44.269 45.100 -0.728 0.000 1.001 203 G HN -0.234 nan 8.290 nan 0.000 0.626 204 S N -0.224 115.430 115.700 -0.076 0.000 2.539 204 S HA 0.227 4.700 4.470 0.005 0.000 0.221 204 S C 0.628 175.204 174.600 -0.041 0.000 0.987 204 S CA 0.233 58.454 58.200 0.036 0.000 0.929 204 S CB 0.228 63.512 63.200 0.140 0.000 0.832 204 S HN 0.597 nan 8.310 nan 0.000 0.492 205 E N 1.863 122.007 120.200 -0.093 0.000 2.415 205 E HA 0.114 4.467 4.350 0.005 0.000 0.262 205 E C 0.676 177.164 176.600 -0.187 0.000 1.038 205 E CA 0.181 56.510 56.400 -0.119 0.000 0.921 205 E CB 0.412 30.038 29.700 -0.123 0.000 0.950 205 E HN -0.128 nan 8.360 nan 0.000 0.438 206 K N 1.534 121.833 120.400 -0.167 0.000 2.358 206 K HA 0.303 4.626 4.320 0.005 0.000 0.200 206 K C -0.098 176.353 176.600 -0.249 0.000 1.030 206 K CA 0.084 56.249 56.287 -0.204 0.000 1.097 206 K CB 0.355 32.783 32.500 -0.121 0.000 0.862 206 K HN 0.446 nan 8.250 nan 0.000 0.534 207 I N 0.307 120.736 120.570 -0.235 0.000 2.436 207 I HA 0.259 4.432 4.170 0.005 0.000 0.289 207 I C -0.452 175.540 176.117 -0.208 0.000 1.010 207 I CA -1.098 60.093 61.300 -0.182 0.000 1.098 207 I CB 1.364 39.326 38.000 -0.063 0.000 1.266 207 I HN -0.059 nan 8.210 nan 0.000 0.434 208 W N 6.766 128.044 121.300 -0.038 0.000 2.314 208 W HA 0.137 4.800 4.660 0.005 0.000 0.339 208 W C 0.964 177.441 176.519 -0.069 0.000 1.293 208 W CA -0.053 57.250 57.345 -0.070 0.000 1.288 208 W CB 0.202 29.640 29.460 -0.036 0.000 1.186 208 W HN 0.466 nan 8.180 nan 0.000 0.566 209 L N 0.826 122.152 121.223 0.172 0.000 4.232 209 L HA -0.291 4.052 4.340 0.005 0.000 0.415 209 L C 0.716 177.617 176.870 0.051 0.000 1.168 209 L CA 0.290 55.179 54.840 0.082 0.000 0.966 209 L CB -1.750 40.361 42.059 0.088 0.000 2.052 209 L HN 0.570 nan 8.230 nan 0.000 0.887 210 E N 1.287 121.502 120.200 0.025 0.000 2.452 210 E HA 0.243 4.596 4.350 0.005 0.000 0.261 210 E C 0.330 176.953 176.600 0.039 0.000 0.987 210 E CA -0.252 56.161 56.400 0.022 0.000 0.926 210 E CB 0.585 30.281 29.700 -0.008 0.000 0.934 210 E HN 0.261 nan 8.360 nan 0.000 0.452 211 L N 2.881 124.130 121.223 0.043 0.000 2.466 211 L HA 0.128 4.471 4.340 0.005 0.000 0.257 211 L C 0.929 177.837 176.870 0.063 0.000 1.189 211 L CA -0.632 54.239 54.840 0.052 0.000 0.813 211 L CB 0.697 42.780 42.059 0.040 0.000 1.118 211 L HN 0.620 nan 8.230 nan 0.000 0.471 212 S N -0.199 115.545 115.700 0.074 0.000 2.589 212 S HA 0.392 4.865 4.470 0.005 0.000 0.265 212 S C 1.005 175.649 174.600 0.074 0.000 1.342 212 S CA -0.045 58.223 58.200 0.114 0.000 1.005 212 S CB 1.161 64.413 63.200 0.088 0.000 0.909 212 S HN 1.119 nan 8.310 nan 0.000 0.555 213 G N 0.184 109.041 108.800 0.095 0.000 2.176 213 G HA2 -0.086 3.877 3.960 0.005 0.000 0.253 213 G HA3 -0.086 3.877 3.960 0.005 0.000 0.253 213 G C 0.563 175.493 174.900 0.049 0.000 0.979 213 G CA 0.162 45.301 45.100 0.064 0.000 0.641 213 G HN 1.356 nan 8.290 nan 0.000 0.530 214 G N 0.297 109.126 108.800 0.048 0.000 2.553 214 G HA2 0.570 4.533 3.960 0.005 0.000 0.278 214 G HA3 0.570 4.533 3.960 0.005 0.000 0.278 214 G C -0.147 174.770 174.900 0.029 0.000 1.349 214 G CA 0.090 45.208 45.100 0.030 0.000 1.037 214 G HN 0.143 nan 8.290 nan 0.000 0.508 215 P HA -0.039 nan 4.420 nan 0.000 0.222 215 P C 0.473 177.785 177.300 0.020 0.000 1.147 215 P CA 0.846 63.955 63.100 0.016 0.000 0.790 215 P CB 0.309 32.013 31.700 0.007 0.000 0.780 216 N N -0.371 118.340 118.700 0.017 0.000 2.458 216 N HA 0.057 4.800 4.740 0.005 0.000 0.274 216 N C -0.094 175.435 175.510 0.032 0.000 1.242 216 N CA -0.009 53.054 53.050 0.023 0.000 0.904 216 N CB 0.307 38.797 38.487 0.005 0.000 1.206 216 N HN -0.017 nan 8.380 nan 0.000 0.510 217 S N 1.043 116.771 115.700 0.047 0.000 2.552 217 S HA -0.001 4.472 4.470 0.005 0.000 0.289 217 S C 1.496 176.129 174.600 0.054 0.000 1.304 217 S CA -0.264 57.980 58.200 0.073 0.000 1.063 217 S CB 0.638 63.898 63.200 0.100 0.000 0.848 217 S HN 0.474 nan 8.310 nan 0.000 0.499 218 R N 3.068 123.583 120.500 0.025 0.000 2.310 218 R HA 0.166 4.509 4.340 0.005 0.000 0.202 218 R C -0.597 175.553 176.300 -0.250 0.000 0.933 218 R CA 0.168 56.208 56.100 -0.100 0.000 1.054 218 R CB -0.138 30.061 30.300 -0.168 0.000 0.985 218 R HN 0.545 nan 8.270 nan 0.000 0.489 219 Y N 0.814 121.140 120.300 0.044 0.000 2.446 219 Y HA 0.423 4.976 4.550 0.005 0.000 0.338 219 Y C 0.312 176.236 175.900 0.040 0.000 1.055 219 Y CA -0.438 57.689 58.100 0.044 0.000 1.101 219 Y CB 2.201 40.686 38.460 0.042 0.000 1.221 219 Y HN 0.150 nan 8.280 nan 0.000 0.460 220 S N 0.281 116.107 115.700 0.210 0.000 2.671 220 S HA 0.857 5.330 4.470 0.005 0.000 0.277 220 S C 0.101 174.778 174.600 0.128 0.000 1.165 220 S CA -0.428 57.854 58.200 0.136 0.000 0.822 220 S CB 1.326 64.579 63.200 0.087 0.000 1.150 220 S HN 1.480 nan 8.310 nan 0.000 0.479 221 G N 1.412 110.264 108.800 0.087 0.000 2.582 221 G HA2 -0.268 3.695 3.960 0.005 0.000 0.288 221 G HA3 -0.268 3.695 3.960 0.005 0.000 0.288 221 G C -0.283 174.661 174.900 0.073 0.000 1.247 221 G CA 0.717 45.859 45.100 0.071 0.000 0.972 221 G HN 1.285 nan 8.290 nan 0.000 0.557 222 D N 0.809 121.250 120.400 0.069 0.000 2.619 222 D HA 0.411 5.054 4.640 0.005 0.000 0.224 222 D C 1.129 177.476 176.300 0.077 0.000 1.133 222 D CA 0.234 54.267 54.000 0.056 0.000 1.017 222 D CB -0.633 40.194 40.800 0.045 0.000 1.077 222 D HN 0.766 nan 8.370 nan 0.000 0.503 223 R N 1.510 122.060 120.500 0.082 0.000 3.251 223 R HA -0.190 4.153 4.340 0.005 0.000 0.249 223 R C -0.760 175.738 176.300 0.330 0.000 0.949 223 R CA 0.465 56.636 56.100 0.118 0.000 0.645 223 R CB -0.863 29.407 30.300 -0.051 0.000 1.065 223 R HN 0.416 nan 8.270 nan 0.000 0.452 224 Q N 1.072 121.067 119.800 0.325 0.000 2.331 224 Q HA 0.187 4.530 4.340 0.005 0.000 0.257 224 Q C -0.235 175.864 176.000 0.165 0.000 0.957 224 Q CA -0.640 55.294 55.803 0.218 0.000 0.923 224 Q CB 1.448 30.260 28.738 0.123 0.000 1.212 224 Q HN 0.279 nan 8.270 nan 0.000 0.443 225 L N 3.241 124.488 121.223 0.039 0.000 2.331 225 L HA 0.137 4.480 4.340 0.005 0.000 0.278 225 L C 0.299 177.080 176.870 -0.149 0.000 1.106 225 L CA -0.021 54.634 54.840 -0.308 0.000 0.824 225 L CB 0.621 42.531 42.059 -0.249 0.000 1.142 225 L HN 0.532 nan 8.230 nan 0.000 0.443 226 E N 3.086 123.185 120.200 -0.169 0.000 2.376 226 E HA 0.071 4.424 4.350 0.005 0.000 0.266 226 E C -0.644 175.942 176.600 -0.023 0.000 1.009 226 E CA -0.131 56.238 56.400 -0.052 0.000 0.902 226 E CB -0.001 29.693 29.700 -0.011 0.000 0.972 226 E HN 0.676 nan 8.360 nan 0.000 0.439 227 N N 3.831 122.524 118.700 -0.012 0.000 2.492 227 N HA 0.033 4.776 4.740 0.005 0.000 0.260 227 N C -1.674 173.832 175.510 -0.007 0.000 1.215 227 N CA -1.042 51.997 53.050 -0.019 0.000 0.923 227 N CB 0.684 39.147 38.487 -0.040 0.000 1.092 227 N HN 0.566 nan 8.380 nan 0.000 0.448 228 P HA 0.128 nan 4.420 nan 0.000 0.269 228 P C -0.558 176.742 177.300 -0.000 0.000 1.478 228 P CA 0.093 63.180 63.100 -0.022 0.000 1.045 228 P CB 0.357 32.025 31.700 -0.053 0.000 1.512 229 L N 0.354 121.596 121.223 0.031 0.000 2.439 229 L HA 0.393 4.736 4.340 0.005 0.000 0.269 229 L C 1.164 178.054 176.870 0.033 0.000 1.179 229 L CA -0.250 54.609 54.840 0.031 0.000 0.828 229 L CB 0.498 42.557 42.059 0.000 0.000 1.106 229 L HN -0.039 nan 8.230 nan 0.000 0.467 230 A N 1.871 124.741 122.820 0.083 0.000 2.592 230 A HA 0.698 5.021 4.320 0.005 0.000 0.290 230 A C 0.072 177.764 177.584 0.180 0.000 0.998 230 A CA 0.181 52.290 52.037 0.120 0.000 0.983 230 A CB 0.381 19.456 19.000 0.124 0.000 1.240 230 A HN 0.705 nan 8.150 nan 0.000 0.535 231 A N -0.664 122.228 122.820 0.120 0.000 2.515 231 A HA 0.634 4.957 4.320 0.005 0.000 0.296 231 A C 0.817 178.460 177.584 0.098 0.000 1.094 231 A CA 0.210 52.317 52.037 0.117 0.000 0.718 231 A CB 0.854 19.854 19.000 -0.000 0.000 1.307 231 A HN 1.152 nan 8.150 nan 0.000 0.408 232 V N -1.925 118.088 119.914 0.165 0.000 3.235 232 V HA 0.220 4.343 4.120 0.005 0.000 0.259 232 V C 0.382 176.605 176.094 0.215 0.000 1.133 232 V CA 1.187 63.653 62.300 0.277 0.000 1.128 232 V CB -0.984 31.023 31.823 0.307 0.000 0.757 232 V HN 0.716 nan 8.190 nan 0.000 0.469 233 Q N -0.076 119.768 119.800 0.073 0.000 2.416 233 Q HA 0.588 4.931 4.340 0.005 0.000 0.281 233 Q C -1.064 174.870 176.000 -0.111 0.000 1.067 233 Q CA -1.002 54.812 55.803 0.019 0.000 0.809 233 Q CB 2.444 31.201 28.738 0.031 0.000 1.418 233 Q HN 0.335 nan 8.270 nan 0.000 0.411 234 M N 1.132 120.657 119.600 -0.124 0.000 2.251 234 M HA 0.354 4.837 4.480 0.005 0.000 0.346 234 M C 0.685 176.826 176.300 -0.264 0.000 1.499 234 M CA 1.625 56.785 55.300 -0.234 0.000 1.128 234 M CB -0.396 32.075 32.600 -0.214 0.000 1.809 234 M HN 0.834 nan 8.290 nan 0.000 0.464 235 G N 3.865 112.171 108.800 -0.825 0.000 2.179 235 G HA2 -0.145 3.818 3.960 0.005 0.000 0.220 235 G HA3 -0.145 3.818 3.960 0.005 0.000 0.220 235 G C -0.284 174.117 174.900 -0.831 0.000 0.990 235 G CA 0.011 44.428 45.100 -1.138 0.000 0.646 235 G HN 0.697 nan 8.290 nan 0.000 0.517 236 L N 1.128 121.975 121.223 -0.627 0.000 2.344 236 L HA 0.505 4.848 4.340 0.005 0.000 0.272 236 L C 1.742 178.411 176.870 -0.336 0.000 1.035 236 L CA -1.419 53.229 54.840 -0.319 0.000 0.807 236 L CB 0.908 42.897 42.059 -0.117 0.000 1.237 236 L HN -0.148 nan 8.230 nan 0.000 0.442 237 I N 0.318 120.720 120.570 -0.280 0.000 2.206 237 I HA -0.150 4.023 4.170 0.005 0.000 0.239 237 I C 1.300 177.087 176.117 -0.550 0.000 1.078 237 I CA 2.012 63.015 61.300 -0.495 0.000 1.367 237 I CB -0.510 36.940 38.000 -0.917 0.000 1.078 237 I HN 0.640 nan 8.210 nan 0.000 0.413 238 Y N -0.376 119.976 120.300 0.087 0.000 3.183 238 Y HA 0.250 4.803 4.550 0.005 0.000 0.200 238 Y C 0.776 176.785 175.900 0.182 0.000 0.912 238 Y CA -0.254 57.936 58.100 0.149 0.000 1.642 238 Y CB 0.055 38.665 38.460 0.250 0.000 1.447 238 Y HN -0.130 nan 8.280 nan 0.000 0.421 239 V N -1.155 119.016 119.914 0.429 0.000 3.158 239 V HA 0.518 4.642 4.120 0.005 0.000 0.315 239 V C -0.820 175.421 176.094 0.245 0.000 1.148 239 V CA -1.150 61.337 62.300 0.312 0.000 1.042 239 V CB 1.731 33.749 31.823 0.324 0.000 1.101 239 V HN 0.307 nan 8.190 nan 0.000 0.448 240 N N 2.449 121.268 118.700 0.199 0.000 2.419 240 N HA 0.408 5.152 4.740 0.005 0.000 0.264 240 N C -1.603 174.023 175.510 0.193 0.000 1.031 240 N CA -2.049 51.103 53.050 0.169 0.000 0.951 240 N CB 1.679 40.247 38.487 0.135 0.000 1.101 240 N HN 0.621 nan 8.380 nan 0.000 0.488 241 P HA -0.038 nan 4.420 nan 0.000 0.230 241 P C 0.193 177.623 177.300 0.216 0.000 1.158 241 P CA 1.009 64.246 63.100 0.229 0.000 0.769 241 P CB 0.489 32.335 31.700 0.243 0.000 0.807 242 E N -0.265 120.051 120.200 0.193 0.000 2.371 242 E HA 0.253 4.606 4.350 0.005 0.000 0.194 242 E C 1.042 177.763 176.600 0.201 0.000 1.012 242 E CA 0.392 56.921 56.400 0.215 0.000 0.860 242 E CB -0.025 29.810 29.700 0.224 0.000 0.811 242 E HN 0.261 nan 8.360 nan 0.000 0.502 243 G N 1.236 110.139 108.800 0.171 0.000 2.371 243 G HA2 -0.106 3.857 3.960 0.005 0.000 0.663 243 G HA3 -0.106 3.857 3.960 0.005 0.000 0.663 243 G C -3.091 171.873 174.900 0.106 0.000 1.311 243 G CA -1.322 43.861 45.100 0.138 0.000 0.985 243 G HN -0.198 nan 8.290 nan 0.000 0.566 244 P HA 0.307 nan 4.420 nan 0.000 0.271 244 P C -0.210 177.106 177.300 0.027 0.000 1.226 244 P CA 0.487 63.612 63.100 0.042 0.000 0.765 244 P CB 0.410 32.113 31.700 0.005 0.000 0.835 245 D N 3.342 123.759 120.400 0.027 0.000 2.733 245 D HA -0.217 4.426 4.640 0.005 0.000 0.232 245 D C 1.172 177.506 176.300 0.057 0.000 1.161 245 D CA 2.012 56.032 54.000 0.034 0.000 0.653 245 D CB -1.458 39.343 40.800 0.002 0.000 1.052 245 D HN 0.826 nan 8.370 nan 0.000 0.424 246 G N -0.641 108.209 108.800 0.084 0.000 2.157 246 G HA2 -0.314 3.650 3.960 0.005 0.000 0.248 246 G HA3 -0.314 3.650 3.960 0.005 0.000 0.248 246 G C 0.062 175.036 174.900 0.124 0.000 0.979 246 G CA 0.089 45.264 45.100 0.125 0.000 0.650 246 G HN 0.405 nan 8.290 nan 0.000 0.529 247 N N 1.480 120.214 118.700 0.058 0.000 2.422 247 N HA 0.431 5.174 4.740 0.005 0.000 0.266 247 N C -2.530 172.972 175.510 -0.014 0.000 1.007 247 N CA -1.405 51.639 53.050 -0.009 0.000 0.941 247 N CB 1.978 40.464 38.487 -0.003 0.000 1.115 247 N HN 0.097 nan 8.380 nan 0.000 0.492 248 P HA 0.092 nan 4.420 nan 0.000 0.220 248 P C -0.805 176.601 177.300 0.178 0.000 1.806 248 P CA -0.115 63.005 63.100 0.032 0.000 0.976 248 P CB -0.156 31.433 31.700 -0.186 0.000 1.952 249 D N 2.051 122.519 120.400 0.113 0.000 2.427 249 D HA 0.227 4.870 4.640 0.005 0.000 0.226 249 D C -1.799 174.542 176.300 0.068 0.000 1.076 249 D CA -2.555 51.496 54.000 0.084 0.000 0.849 249 D CB 1.597 42.421 40.800 0.039 0.000 1.052 249 D HN -0.040 nan 8.370 nan 0.000 0.515 250 P HA -0.099 nan 4.420 nan 0.000 0.220 250 P C 1.501 178.834 177.300 0.055 0.000 1.148 250 P CA 0.388 63.491 63.100 0.006 0.000 0.803 250 P CB 0.540 32.184 31.700 -0.094 0.000 0.782 251 V N 0.240 120.179 119.914 0.043 0.000 2.323 251 V HA -0.190 3.933 4.120 0.005 0.000 0.244 251 V C 2.455 178.578 176.094 0.047 0.000 1.041 251 V CA 2.209 64.542 62.300 0.056 0.000 1.025 251 V CB -1.683 30.163 31.823 0.039 0.000 0.656 251 V HN 0.088 nan 8.190 nan 0.000 0.451 252 A N -0.078 122.765 122.820 0.039 0.000 1.969 252 A HA -0.023 4.300 4.320 0.005 0.000 0.218 252 A C 2.369 179.988 177.584 0.059 0.000 1.169 252 A CA 1.792 53.851 52.037 0.037 0.000 0.635 252 A CB -0.612 18.402 19.000 0.023 0.000 0.810 252 A HN 0.548 nan 8.150 nan 0.000 0.445 253 A N -0.068 122.798 122.820 0.076 0.000 1.930 253 A HA 0.209 4.532 4.320 0.005 0.000 0.217 253 A C 2.448 180.107 177.584 0.125 0.000 1.175 253 A CA 1.772 53.871 52.037 0.104 0.000 0.627 253 A CB -0.879 18.188 19.000 0.112 0.000 0.815 253 A HN 1.004 nan 8.150 nan 0.000 0.443 254 A N -0.189 122.706 122.820 0.126 0.000 1.972 254 A HA -0.165 4.158 4.320 0.005 0.000 0.219 254 A C 2.221 179.886 177.584 0.135 0.000 1.169 254 A CA 1.508 53.657 52.037 0.186 0.000 0.635 254 A CB -0.443 18.646 19.000 0.148 0.000 0.810 254 A HN 0.548 nan 8.150 nan 0.000 0.446 255 R N -0.513 120.034 120.500 0.078 0.000 2.092 255 R HA -0.114 4.229 4.340 0.005 0.000 0.231 255 R C 1.426 177.796 176.300 0.117 0.000 1.119 255 R CA 1.459 57.598 56.100 0.065 0.000 0.970 255 R CB -0.293 30.035 30.300 0.045 0.000 0.864 255 R HN 0.455 nan 8.270 nan 0.000 0.440 256 D N 0.473 120.954 120.400 0.136 0.000 2.144 256 D HA -0.086 4.557 4.640 0.005 0.000 0.200 256 D C 1.843 178.287 176.300 0.239 0.000 0.978 256 D CA 0.918 55.031 54.000 0.188 0.000 0.833 256 D CB -0.073 40.839 40.800 0.187 0.000 0.961 256 D HN 0.181 nan 8.370 nan 0.000 0.470 257 I N 0.534 121.242 120.570 0.230 0.000 2.163 257 I HA -0.270 3.903 4.170 0.005 0.000 0.243 257 I C 2.593 178.872 176.117 0.271 0.000 1.085 257 I CA 1.024 62.473 61.300 0.247 0.000 1.347 257 I CB -0.158 37.909 38.000 0.113 0.000 1.044 257 I HN -0.064 nan 8.210 nan 0.000 0.408 258 R N 0.808 121.453 120.500 0.242 0.000 2.081 258 R HA -0.248 4.095 4.340 0.005 0.000 0.235 258 R C 2.079 178.500 176.300 0.201 0.000 1.131 258 R CA 2.298 58.527 56.100 0.215 0.000 0.960 258 R CB -0.273 30.077 30.300 0.084 0.000 0.856 258 R HN 0.308 nan 8.270 nan 0.000 0.436 259 D N -0.643 119.868 120.400 0.184 0.000 2.117 259 D HA -0.120 4.523 4.640 0.005 0.000 0.198 259 D C 1.769 178.183 176.300 0.190 0.000 0.982 259 D CA 2.041 56.142 54.000 0.169 0.000 0.828 259 D CB -0.109 40.794 40.800 0.172 0.000 0.967 259 D HN 0.409 nan 8.370 nan 0.000 0.464 260 T N -2.266 112.433 114.554 0.242 0.000 2.857 260 T HA -0.091 4.262 4.350 0.005 0.000 0.266 260 T C 2.047 176.817 174.700 0.116 0.000 1.048 260 T CA 0.600 62.836 62.100 0.227 0.000 1.139 260 T CB -0.884 68.181 68.868 0.328 0.000 0.874 260 T HN 0.036 nan 8.240 nan 0.000 0.455 261 F N 2.315 122.225 119.950 -0.068 0.000 2.234 261 F HA 0.261 4.790 4.527 0.004 0.000 0.299 261 F C 2.867 178.652 175.800 -0.024 0.000 1.087 261 F CA 0.441 58.337 58.000 -0.173 0.000 1.340 261 F CB -0.811 38.087 39.000 -0.171 0.000 1.031 261 F HN 0.268 nan 8.300 nan 0.000 0.500 262 A N 0.053 122.991 122.820 0.197 0.000 1.933 262 A HA -0.173 4.150 4.320 0.005 0.000 0.218 262 A C 2.198 179.843 177.584 0.102 0.000 1.175 262 A CA 1.270 53.391 52.037 0.141 0.000 0.628 262 A CB -0.597 18.477 19.000 0.125 0.000 0.814 262 A HN 0.317 nan 8.150 nan 0.000 0.444 263 R N -0.853 119.702 120.500 0.091 0.000 2.328 263 R HA 0.113 4.456 4.340 0.005 0.000 0.207 263 R C 0.747 177.071 176.300 0.040 0.000 1.056 263 R CA 0.814 56.948 56.100 0.057 0.000 1.016 263 R CB -0.171 30.168 30.300 0.065 0.000 0.872 263 R HN 0.520 nan 8.270 nan 0.000 0.471 264 M N -0.636 119.006 119.600 0.069 0.000 2.576 264 M HA 0.287 4.770 4.480 0.005 0.000 0.322 264 M C 0.257 176.671 176.300 0.191 0.000 1.184 264 M CA -0.123 55.266 55.300 0.149 0.000 0.967 264 M CB 1.256 33.949 32.600 0.155 0.000 1.372 264 M HN 0.139 nan 8.290 nan 0.000 0.509 265 A N 0.298 123.206 122.820 0.146 0.000 3.028 265 A HA -0.138 4.185 4.320 0.005 0.000 0.248 265 A C 0.019 177.658 177.584 0.091 0.000 1.316 265 A CA 0.815 52.932 52.037 0.133 0.000 1.003 265 A CB -1.410 17.684 19.000 0.156 0.000 1.148 265 A HN 0.473 nan 8.150 nan 0.000 0.828 266 M N 0.825 120.496 119.600 0.119 0.000 2.294 266 M HA 0.416 4.899 4.480 0.005 0.000 0.335 266 M C 0.442 176.841 176.300 0.166 0.000 1.079 266 M CA -0.763 54.624 55.300 0.146 0.000 0.982 266 M CB 1.314 34.068 32.600 0.257 0.000 1.651 266 M HN 0.672 nan 8.290 nan 0.000 0.437 267 N N 1.246 120.031 118.700 0.141 0.000 2.514 267 N HA 0.239 4.982 4.740 0.005 0.000 0.299 267 N C 0.160 175.759 175.510 0.148 0.000 1.292 267 N CA -0.276 52.855 53.050 0.135 0.000 0.963 267 N CB 0.340 38.897 38.487 0.116 0.000 1.124 267 N HN 0.356 nan 8.380 nan 0.000 0.580 268 D N -0.663 119.827 120.400 0.150 0.000 2.097 268 D HA -0.161 4.482 4.640 0.005 0.000 0.195 268 D C 1.409 177.803 176.300 0.156 0.000 0.989 268 D CA 1.250 55.384 54.000 0.223 0.000 0.827 268 D CB -0.301 40.608 40.800 0.180 0.000 0.966 268 D HN 0.783 nan 8.370 nan 0.000 0.456 269 E N 0.619 120.895 120.200 0.127 0.000 2.058 269 E HA -0.226 4.127 4.350 0.005 0.000 0.194 269 E C 1.749 178.491 176.600 0.235 0.000 0.997 269 E CA 1.151 57.647 56.400 0.159 0.000 0.801 269 E CB 0.084 29.890 29.700 0.176 0.000 0.746 269 E HN 0.315 nan 8.360 nan 0.000 0.450 270 E N -0.592 119.719 120.200 0.185 0.000 2.110 270 E HA -0.139 4.215 4.350 0.005 0.000 0.193 270 E C 2.098 178.770 176.600 0.120 0.000 0.988 270 E CA 1.589 58.097 56.400 0.179 0.000 0.804 270 E CB 0.018 29.804 29.700 0.143 0.000 0.745 270 E HN 0.248 nan 8.360 nan 0.000 0.458 271 T N 0.538 115.101 114.554 0.015 0.000 2.737 271 T HA -0.112 4.241 4.350 0.005 0.000 0.265 271 T C 2.083 176.548 174.700 -0.391 0.000 1.038 271 T CA 1.000 62.921 62.100 -0.297 0.000 1.144 271 T CB -0.160 68.435 68.868 -0.454 0.000 0.866 271 T HN -0.023 nan 8.240 nan 0.000 0.434 272 V N 1.721 121.485 119.914 -0.249 0.000 2.358 272 V HA -0.133 3.990 4.120 0.005 0.000 0.246 272 V C 2.890 179.031 176.094 0.079 0.000 1.047 272 V CA 1.575 63.754 62.300 -0.201 0.000 1.035 272 V CB -1.197 30.598 31.823 -0.046 0.000 0.658 272 V HN 0.517 nan 8.190 nan 0.000 0.452 273 A N -0.331 122.698 122.820 0.348 0.000 1.908 273 A HA -0.186 4.137 4.320 0.005 0.000 0.218 273 A C 2.234 179.889 177.584 0.118 0.000 1.181 273 A CA 1.916 54.190 52.037 0.396 0.000 0.627 273 A CB -0.500 18.742 19.000 0.404 0.000 0.818 273 A HN 0.501 nan 8.150 nan 0.000 0.445 274 L N -0.920 120.334 121.223 0.053 0.000 2.072 274 L HA -0.098 4.245 4.340 0.005 0.000 0.205 274 L C 2.494 179.126 176.870 -0.397 0.000 1.079 274 L CA 1.052 55.900 54.840 0.013 0.000 0.752 274 L CB -0.364 41.739 42.059 0.073 0.000 0.906 274 L HN 0.377 nan 8.230 nan 0.000 0.436 275 I N -0.305 119.943 120.570 -0.537 0.000 2.163 275 I HA -0.245 3.928 4.170 0.005 0.000 0.240 275 I C 2.738 178.193 176.117 -1.104 0.000 1.081 275 I CA 1.199 62.010 61.300 -0.816 0.000 1.353 275 I CB -0.421 37.139 38.000 -0.733 0.000 1.054 275 I HN 0.166 nan 8.210 nan 0.000 0.407 276 A N 0.808 123.013 122.820 -1.026 0.000 1.969 276 A HA -0.081 4.242 4.320 0.005 0.000 0.218 276 A C 2.383 179.332 177.584 -1.059 0.000 1.169 276 A CA 1.735 52.808 52.037 -1.606 0.000 0.635 276 A CB -1.314 16.883 19.000 -1.339 0.000 0.810 276 A HN 0.476 nan 8.150 nan 0.000 0.445 277 G N -0.386 107.906 108.800 -0.846 0.000 2.414 277 G HA2 0.044 4.007 3.960 0.005 0.000 0.215 277 G HA3 0.044 4.007 3.960 0.005 0.000 0.215 277 G C 1.553 175.826 174.900 -1.045 0.000 1.188 277 G CA 1.187 45.351 45.100 -1.559 0.000 0.783 277 G HN 0.661 nan 8.290 nan 0.000 0.537 278 G N -0.201 108.129 108.800 -0.783 0.000 2.446 278 G HA2 -0.184 3.779 3.960 0.005 0.000 0.217 278 G HA3 -0.184 3.779 3.960 0.005 0.000 0.217 278 G C 1.423 176.142 174.900 -0.303 0.000 1.168 278 G CA 0.832 45.747 45.100 -0.309 0.000 0.771 278 G HN 0.657 nan 8.290 nan 0.000 0.551 279 H N -0.154 118.378 119.070 -0.896 0.000 2.547 279 H HA 0.120 4.679 4.556 0.005 0.000 0.274 279 H C 1.989 176.831 175.328 -0.810 0.000 1.024 279 H CA 0.129 55.353 56.048 -1.373 0.000 1.155 279 H CB 0.385 28.922 29.762 -2.041 0.000 1.344 279 H HN 0.239 nan 8.280 nan 0.000 0.598 280 T N 0.377 114.577 114.554 -0.591 0.000 3.035 280 T HA -0.052 4.301 4.350 0.005 0.000 0.268 280 T C 0.058 174.404 174.700 -0.591 0.000 1.109 280 T CA 0.896 62.633 62.100 -0.605 0.000 1.119 280 T CB -0.029 68.283 68.868 -0.927 0.000 0.900 280 T HN 0.093 nan 8.240 nan 0.000 0.503 281 F N 0.078 120.017 119.950 -0.018 0.000 2.522 281 F HA 0.596 5.126 4.527 0.005 0.000 0.324 281 F C 1.162 177.104 175.800 0.237 0.000 1.077 281 F CA -0.591 57.448 58.000 0.064 0.000 0.944 281 F CB 1.412 40.433 39.000 0.036 0.000 1.175 281 F HN 0.214 nan 8.300 nan 0.000 0.468 282 G N 2.337 111.360 108.800 0.373 0.000 2.553 282 G HA2 -0.044 3.919 3.960 0.005 0.000 0.242 282 G HA3 -0.044 3.919 3.960 0.005 0.000 0.242 282 G C -1.103 174.054 174.900 0.430 0.000 1.277 282 G CA -0.074 45.276 45.100 0.417 0.000 0.910 282 G HN 1.071 nan 8.290 nan 0.000 0.576 283 K N -1.956 118.648 120.400 0.340 0.000 2.578 283 K HA 0.733 5.056 4.320 0.005 0.000 0.287 283 K C -0.056 176.393 176.600 -0.252 0.000 1.010 283 K CA -0.174 56.040 56.287 -0.122 0.000 0.889 283 K CB 1.228 33.673 32.500 -0.091 0.000 1.514 283 K HN 1.419 nan 8.250 nan 0.000 0.424 284 T N -1.403 112.839 114.554 -0.521 0.000 2.862 284 T HA 0.446 4.799 4.350 0.005 0.000 0.276 284 T C -0.695 173.584 174.700 -0.701 0.000 0.974 284 T CA -0.358 61.514 62.100 -0.379 0.000 0.966 284 T CB 0.545 69.273 68.868 -0.233 0.000 1.072 284 T HN 0.653 nan 8.240 nan 0.000 0.538 285 H N -1.223 117.838 119.070 -0.015 0.000 2.924 285 H HA 0.611 5.170 4.556 0.005 0.000 0.333 285 H C 0.279 175.589 175.328 -0.030 0.000 0.979 285 H CA -0.567 55.477 56.048 -0.008 0.000 1.326 285 H CB 1.675 31.474 29.762 0.061 0.000 1.600 285 H HN 1.065 nan 8.280 nan 0.000 0.520 286 G N 1.288 110.086 108.800 -0.004 0.000 4.775 286 G HA2 0.394 4.357 3.960 0.005 0.000 0.222 286 G HA3 0.394 4.357 3.960 0.005 0.000 0.222 286 G C 0.687 175.524 174.900 -0.104 0.000 0.974 286 G CA 0.123 45.193 45.100 -0.051 0.000 0.614 286 G HN 0.725 nan 8.290 nan 0.000 0.427 287 A N -0.350 122.422 122.820 -0.080 0.000 2.067 287 A HA 0.646 4.969 4.320 0.005 0.000 0.217 287 A C 1.387 178.746 177.584 -0.375 0.000 1.156 287 A CA 1.402 53.389 52.037 -0.084 0.000 0.683 287 A CB 0.165 19.233 19.000 0.114 0.000 0.808 287 A HN 1.370 nan 8.150 nan 0.000 0.455 288 G N -2.117 106.297 108.800 -0.643 0.000 2.645 288 G HA2 0.512 4.475 3.960 0.005 0.000 0.292 288 G HA3 0.512 4.475 3.960 0.005 0.000 0.292 288 G C -3.505 171.088 174.900 -0.513 0.000 1.415 288 G CA -1.265 43.224 45.100 -1.018 0.000 0.785 288 G HN -0.118 nan 8.290 nan 0.000 0.483 289 P HA 0.249 nan 4.420 nan 0.000 0.265 289 P C 0.816 178.045 177.300 -0.118 0.000 1.193 289 P CA 0.509 63.502 63.100 -0.178 0.000 0.765 289 P CB 1.283 32.915 31.700 -0.113 0.000 0.823 290 A N 3.232 126.009 122.820 -0.072 0.000 2.070 290 A HA -0.172 4.151 4.320 0.005 0.000 0.220 290 A C 2.045 179.635 177.584 0.009 0.000 1.159 290 A CA 1.968 53.991 52.037 -0.023 0.000 0.656 290 A CB -1.445 17.547 19.000 -0.014 0.000 0.800 290 A HN 0.595 nan 8.150 nan 0.000 0.453 291 S N 0.397 116.098 115.700 0.001 0.000 2.469 291 S HA -0.151 4.322 4.470 0.005 0.000 0.238 291 S C 1.454 176.080 174.600 0.043 0.000 0.998 291 S CA 1.097 59.311 58.200 0.023 0.000 0.957 291 S CB -0.678 62.531 63.200 0.015 0.000 0.764 291 S HN 0.642 nan 8.310 nan 0.000 0.514 292 N N 1.213 119.942 118.700 0.048 0.000 2.453 292 N HA 0.032 4.775 4.740 0.005 0.000 0.183 292 N C -0.103 175.470 175.510 0.105 0.000 1.041 292 N CA 0.484 53.588 53.050 0.091 0.000 0.900 292 N CB -0.076 38.492 38.487 0.136 0.000 0.961 292 N HN 0.322 nan 8.380 nan 0.000 0.443 293 V N 1.160 121.136 119.914 0.102 0.000 2.461 293 V HA 0.327 4.450 4.120 0.005 0.000 0.275 293 V C 1.113 177.284 176.094 0.127 0.000 1.047 293 V CA -0.599 61.786 62.300 0.143 0.000 0.955 293 V CB 1.038 32.960 31.823 0.165 0.000 0.988 293 V HN 0.088 nan 8.190 nan 0.000 0.471 294 G N 3.014 111.881 108.800 0.112 0.000 2.531 294 G HA2 0.600 4.564 3.960 0.005 0.000 0.281 294 G HA3 0.600 4.564 3.960 0.005 0.000 0.281 294 G C 0.146 175.032 174.900 -0.024 0.000 1.382 294 G CA -0.262 44.863 45.100 0.042 0.000 1.045 294 G HN 1.073 nan 8.290 nan 0.000 0.533 295 A N 0.098 122.858 122.820 -0.100 0.000 2.540 295 A HA 0.385 4.708 4.320 0.005 0.000 0.239 295 A C 1.000 178.300 177.584 -0.474 0.000 1.061 295 A CA -0.034 51.880 52.037 -0.204 0.000 0.758 295 A CB -0.085 18.818 19.000 -0.161 0.000 0.991 295 A HN 0.722 nan 8.150 nan 0.000 0.502 296 E N 2.985 122.801 120.200 -0.640 0.000 2.428 296 E HA 0.049 4.402 4.350 0.005 0.000 0.257 296 E C -2.144 173.936 176.600 -0.866 0.000 1.197 296 E CA -1.123 54.521 56.400 -1.260 0.000 0.974 296 E CB -0.469 28.749 29.700 -0.802 0.000 0.976 296 E HN 0.340 nan 8.360 nan 0.000 0.463 297 P HA -0.166 nan 4.420 nan 0.000 0.216 297 P C 1.006 178.104 177.300 -0.337 0.000 1.153 297 P CA 1.417 64.186 63.100 -0.551 0.000 0.858 297 P CB 0.171 31.583 31.700 -0.479 0.000 0.789 298 E N -1.079 118.954 120.200 -0.279 0.000 2.338 298 E HA -0.028 4.325 4.350 0.005 0.000 0.197 298 E C 1.697 178.223 176.600 -0.123 0.000 1.007 298 E CA 0.914 57.225 56.400 -0.147 0.000 0.849 298 E CB -0.390 29.267 29.700 -0.071 0.000 0.774 298 E HN 0.217 nan 8.360 nan 0.000 0.506 299 A N 0.518 123.240 122.820 -0.164 0.000 2.252 299 A HA 0.427 4.750 4.320 0.005 0.000 0.213 299 A C 1.273 178.778 177.584 -0.131 0.000 1.188 299 A CA 0.388 52.353 52.037 -0.119 0.000 0.863 299 A CB 0.221 19.159 19.000 -0.104 0.000 0.893 299 A HN 0.148 nan 8.150 nan 0.000 0.495 300 A N 0.066 122.779 122.820 -0.178 0.000 2.346 300 A HA 0.539 4.862 4.320 0.005 0.000 0.252 300 A C 0.988 178.505 177.584 -0.112 0.000 1.089 300 A CA 0.182 52.125 52.037 -0.157 0.000 0.797 300 A CB -0.407 18.471 19.000 -0.202 0.000 1.047 300 A HN 0.829 nan 8.150 nan 0.000 0.494 301 G N -0.880 107.866 108.800 -0.091 0.000 2.636 301 G HA2 0.336 4.299 3.960 0.005 0.000 0.246 301 G HA3 0.336 4.299 3.960 0.005 0.000 0.246 301 G C 0.834 175.687 174.900 -0.078 0.000 1.216 301 G CA -0.009 45.049 45.100 -0.071 0.000 0.854 301 G HN 0.854 nan 8.290 nan 0.000 0.572 302 I N 0.066 120.596 120.570 -0.066 0.000 2.454 302 I HA -0.126 4.047 4.170 0.005 0.000 0.254 302 I C 2.679 178.754 176.117 -0.071 0.000 1.156 302 I CA 1.434 62.694 61.300 -0.067 0.000 1.433 302 I CB 0.036 38.004 38.000 -0.053 0.000 1.082 302 I HN 0.734 nan 8.210 nan 0.000 0.432 303 E N 1.215 121.377 120.200 -0.063 0.000 2.418 303 E HA -0.141 4.212 4.350 0.005 0.000 0.197 303 E C 1.830 178.384 176.600 -0.077 0.000 1.026 303 E CA 1.040 57.403 56.400 -0.062 0.000 0.862 303 E CB -0.343 29.330 29.700 -0.046 0.000 0.799 303 E HN 0.506 nan 8.360 nan 0.000 0.518 304 A N 1.172 123.939 122.820 -0.088 0.000 2.121 304 A HA -0.135 4.188 4.320 0.005 0.000 0.218 304 A C 0.958 178.462 177.584 -0.133 0.000 1.154 304 A CA 0.738 52.711 52.037 -0.107 0.000 0.679 304 A CB -0.266 18.662 19.000 -0.120 0.000 0.795 304 A HN 0.208 nan 8.150 nan 0.000 0.458 305 Q N -2.453 117.271 119.800 -0.127 0.000 2.451 305 Q HA -0.257 4.086 4.340 0.005 0.000 0.305 305 Q C 0.917 176.814 176.000 -0.173 0.000 1.345 305 Q CA 1.255 56.972 55.803 -0.144 0.000 0.854 305 Q CB -2.375 26.275 28.738 -0.146 0.000 1.162 305 Q HN 1.763 nan 8.270 nan 0.000 0.440 306 G N -1.608 107.090 108.800 -0.170 0.000 2.175 306 G HA2 -0.297 3.667 3.960 0.005 0.000 0.244 306 G HA3 -0.297 3.667 3.960 0.005 0.000 0.244 306 G C 0.239 175.015 174.900 -0.206 0.000 0.982 306 G CA 0.349 45.334 45.100 -0.190 0.000 0.641 306 G HN 0.322 nan 8.290 nan 0.000 0.527 307 L N -0.190 120.916 121.223 -0.195 0.000 2.416 307 L HA 0.834 5.177 4.340 0.005 0.000 0.263 307 L C 1.071 177.807 176.870 -0.223 0.000 1.065 307 L CA -0.304 54.427 54.840 -0.183 0.000 0.798 307 L CB 1.538 43.504 42.059 -0.156 0.000 1.267 307 L HN 0.345 nan 8.230 nan 0.000 0.467 308 G N -2.593 106.075 108.800 -0.220 0.000 2.706 308 G HA2 0.338 4.301 3.960 0.005 0.000 0.307 308 G HA3 0.338 4.301 3.960 0.005 0.000 0.307 308 G C -1.451 173.390 174.900 -0.099 0.000 1.307 308 G CA -0.535 44.335 45.100 -0.383 0.000 0.790 308 G HN 0.686 nan 8.290 nan 0.000 0.503 309 W N 0.302 121.550 121.300 -0.087 0.000 5.538 309 W HA -0.169 4.494 4.660 0.005 0.000 0.377 309 W C 0.743 177.254 176.519 -0.013 0.000 1.406 309 W CA 0.913 58.223 57.345 -0.057 0.000 0.940 309 W CB -1.094 28.318 29.460 -0.081 0.000 2.536 309 W HN 0.576 nan 8.180 nan 0.000 1.504 310 K N 1.507 121.983 120.400 0.126 0.000 2.451 310 K HA 0.191 4.514 4.320 0.005 0.000 0.280 310 K C 0.553 177.244 176.600 0.152 0.000 1.020 310 K CA 0.455 56.819 56.287 0.130 0.000 1.008 310 K CB 0.704 33.242 32.500 0.063 0.000 0.917 310 K HN -0.027 nan 8.250 nan 0.000 0.478 311 S N 2.751 118.561 115.700 0.183 0.000 2.472 311 S HA 0.462 4.935 4.470 0.005 0.000 0.303 311 S C 0.387 175.073 174.600 0.143 0.000 1.099 311 S CA -0.454 57.852 58.200 0.176 0.000 1.077 311 S CB 1.578 64.911 63.200 0.221 0.000 1.031 311 S HN 0.670 nan 8.310 nan 0.000 0.487 312 A N 4.069 126.967 122.820 0.130 0.000 2.238 312 A HA 0.197 4.520 4.320 0.005 0.000 0.208 312 A C 0.188 177.845 177.584 0.121 0.000 1.177 312 A CA 0.099 52.196 52.037 0.099 0.000 0.804 312 A CB -0.386 18.664 19.000 0.084 0.000 0.823 312 A HN 0.834 nan 8.150 nan 0.000 0.482 313 Y N 2.125 122.443 120.300 0.030 0.000 2.539 313 Y HA 0.384 4.937 4.550 0.005 0.000 0.352 313 Y C 0.966 176.864 175.900 -0.004 0.000 1.004 313 Y CA -0.704 57.403 58.100 0.012 0.000 1.278 313 Y CB -0.380 38.088 38.460 0.014 0.000 1.136 313 Y HN 0.549 nan 8.280 nan 0.000 0.528 314 R N 0.535 120.695 120.500 -0.566 0.000 3.853 314 R HA -0.328 4.015 4.340 0.005 0.000 0.440 314 R C 1.523 177.692 176.300 -0.218 0.000 0.241 314 R CA 2.365 58.192 56.100 -0.454 0.000 1.395 314 R CB -1.704 28.193 30.300 -0.673 0.000 0.984 314 R HN 0.761 nan 8.270 nan 0.000 0.570 315 T N -0.755 113.683 114.554 -0.194 0.000 3.072 315 T HA 0.173 4.526 4.350 0.005 0.000 0.266 315 T C 1.419 176.089 174.700 -0.049 0.000 1.127 315 T CA 1.281 63.312 62.100 -0.115 0.000 1.107 315 T CB 0.138 68.916 68.868 -0.150 0.000 0.910 315 T HN 1.289 nan 8.240 nan 0.000 0.513 316 G N 1.855 110.642 108.800 -0.021 0.000 2.162 316 G HA2 -0.265 3.698 3.960 0.005 0.000 0.260 316 G HA3 -0.265 3.698 3.960 0.005 0.000 0.260 316 G C -0.069 174.897 174.900 0.110 0.000 0.976 316 G CA 0.609 45.767 45.100 0.097 0.000 0.655 316 G HN 1.056 nan 8.290 nan 0.000 0.533 317 K N -2.341 118.001 120.400 -0.095 0.000 2.658 317 K HA 0.629 4.952 4.320 0.005 0.000 0.293 317 K C 1.033 177.279 176.600 -0.590 0.000 1.026 317 K CA -0.093 55.943 56.287 -0.418 0.000 0.871 317 K CB 0.989 33.325 32.500 -0.274 0.000 1.524 317 K HN 1.762 nan 8.250 nan 0.000 0.400 318 G N 0.849 109.123 108.800 -0.876 0.000 2.622 318 G HA2 -0.431 3.532 3.960 0.005 0.000 0.307 318 G HA3 -0.431 3.532 3.960 0.005 0.000 0.307 318 G C 1.062 175.464 174.900 -0.831 0.000 1.226 318 G CA 1.637 46.153 45.100 -0.973 0.000 0.997 318 G HN 1.378 nan 8.290 nan 0.000 0.551 319 A N -0.857 121.218 122.820 -1.242 0.000 2.076 319 A HA 0.087 4.410 4.320 0.005 0.000 0.220 319 A C 1.785 179.266 177.584 -0.172 0.000 1.160 319 A CA 2.522 54.280 52.037 -0.465 0.000 0.653 319 A CB -0.299 18.478 19.000 -0.373 0.000 0.801 319 A HN 0.591 nan 8.150 nan 0.000 0.455 320 D N -0.361 119.924 120.400 -0.191 0.000 2.363 320 D HA 0.340 4.984 4.640 0.005 0.000 0.214 320 D C 0.685 177.045 176.300 0.101 0.000 1.093 320 D CA 0.573 54.585 54.000 0.021 0.000 0.837 320 D CB -0.005 40.753 40.800 -0.070 0.000 0.948 320 D HN 0.424 nan 8.370 nan 0.000 0.507 321 A N 0.839 123.650 122.820 -0.015 0.000 2.498 321 A HA 0.315 4.638 4.320 0.005 0.000 0.239 321 A C 0.209 177.896 177.584 0.171 0.000 1.068 321 A CA 0.310 52.376 52.037 0.048 0.000 0.766 321 A CB 0.160 19.080 19.000 -0.132 0.000 1.003 321 A HN 0.177 nan 8.150 nan 0.000 0.497 322 I N 2.157 122.844 120.570 0.195 0.000 2.447 322 I HA 0.326 4.499 4.170 0.005 0.000 0.287 322 I C 0.528 176.717 176.117 0.120 0.000 1.023 322 I CA -0.173 61.207 61.300 0.133 0.000 1.083 322 I CB 2.353 40.395 38.000 0.069 0.000 1.245 322 I HN 0.795 nan 8.210 nan 0.000 0.434 323 T N 1.222 115.838 114.554 0.103 0.000 3.400 323 T HA -0.012 4.341 4.350 0.005 0.000 0.228 323 T C 1.467 176.144 174.700 -0.040 0.000 0.992 323 T CA 0.776 62.873 62.100 -0.006 0.000 1.222 323 T CB 0.113 69.022 68.868 0.070 0.000 1.236 323 T HN 0.620 nan 8.240 nan 0.000 0.357 324 S N 0.307 116.028 115.700 0.035 0.000 2.503 324 S HA 0.425 4.898 4.470 0.005 0.000 0.217 324 S C 1.859 176.462 174.600 0.006 0.000 0.999 324 S CA 0.875 59.088 58.200 0.021 0.000 0.914 324 S CB 0.248 63.493 63.200 0.075 0.000 0.782 324 S HN 0.960 nan 8.310 nan 0.000 0.520 325 G N 0.697 109.497 108.800 -0.001 0.000 2.213 325 G HA2 -0.207 3.756 3.960 0.005 0.000 0.236 325 G HA3 -0.207 3.756 3.960 0.005 0.000 0.236 325 G C -0.102 174.768 174.900 -0.050 0.000 0.991 325 G CA 0.186 45.266 45.100 -0.035 0.000 0.629 325 G HN 0.497 nan 8.290 nan 0.000 0.517 326 L N 0.068 121.270 121.223 -0.035 0.000 2.375 326 L HA 0.786 5.129 4.340 0.005 0.000 0.268 326 L C 0.353 177.149 176.870 -0.123 0.000 1.058 326 L CA -0.797 54.004 54.840 -0.065 0.000 0.803 326 L CB 1.607 43.648 42.059 -0.030 0.000 1.212 326 L HN 0.085 nan 8.230 nan 0.000 0.451 327 E N 1.331 121.432 120.200 -0.165 0.000 2.873 327 E HA 0.441 4.794 4.350 0.005 0.000 0.232 327 E C -1.758 174.668 176.600 -0.290 0.000 1.123 327 E CA -0.148 56.115 56.400 -0.229 0.000 0.809 327 E CB 0.993 30.579 29.700 -0.191 0.000 1.366 327 E HN 0.219 nan 8.360 nan 0.000 0.400 328 V N 2.370 122.033 119.914 -0.418 0.000 2.656 328 V HA 0.630 4.753 4.120 0.005 0.000 0.307 328 V C -0.385 175.235 176.094 -0.791 0.000 1.051 328 V CA -0.675 61.283 62.300 -0.570 0.000 0.893 328 V CB 2.417 33.838 31.823 -0.671 0.000 0.999 328 V HN 0.535 nan 8.190 nan 0.000 0.426 329 T N 3.934 118.116 114.554 -0.620 0.000 2.881 329 T HA 0.314 4.667 4.350 0.005 0.000 0.291 329 T C 0.256 174.758 174.700 -0.330 0.000 0.990 329 T CA -0.404 61.416 62.100 -0.466 0.000 0.976 329 T CB 1.070 69.866 68.868 -0.121 0.000 0.970 329 T HN 0.727 nan 8.240 nan 0.000 0.438 330 W N 2.471 123.762 121.300 -0.016 0.000 2.576 330 W HA 0.072 4.735 4.660 0.006 0.000 0.275 330 W C 1.360 177.866 176.519 -0.021 0.000 1.241 330 W CA 0.329 57.669 57.345 -0.009 0.000 1.328 330 W CB -0.131 29.389 29.460 0.100 0.000 1.092 330 W HN 0.612 nan 8.180 nan 0.000 0.586 331 T N -3.516 111.146 114.554 0.180 0.000 2.916 331 T HA 0.278 4.631 4.350 0.005 0.000 0.292 331 T C 0.982 175.679 174.700 -0.005 0.000 1.064 331 T CA 0.031 62.168 62.100 0.062 0.000 1.011 331 T CB 2.215 71.073 68.868 -0.016 0.000 1.152 331 T HN -0.064 nan 8.240 nan 0.000 0.510 332 T N -1.506 113.040 114.554 -0.012 0.000 3.072 332 T HA 0.128 4.481 4.350 0.005 0.000 0.266 332 T C 0.926 175.582 174.700 -0.072 0.000 1.127 332 T CA 0.822 62.910 62.100 -0.022 0.000 1.107 332 T CB -0.787 68.081 68.868 -0.000 0.000 0.910 332 T HN 1.045 nan 8.240 nan 0.000 0.513 333 T N -0.829 113.655 114.554 -0.117 0.000 3.226 333 T HA 0.497 4.850 4.350 0.005 0.000 0.378 333 T C -2.794 171.769 174.700 -0.228 0.000 1.380 333 T CA -1.515 60.489 62.100 -0.160 0.000 1.396 333 T CB 1.722 70.520 68.868 -0.116 0.000 1.044 333 T HN -0.127 nan 8.240 nan 0.000 0.586 334 P HA 0.047 nan 4.420 nan 0.000 0.237 334 P C 1.279 178.438 177.300 -0.233 0.000 1.178 334 P CA 0.611 63.478 63.100 -0.390 0.000 0.766 334 P CB 0.077 31.252 31.700 -0.875 0.000 0.876 335 T N -5.127 109.286 114.554 -0.235 0.000 3.174 335 T HA 0.302 4.655 4.350 0.005 0.000 0.269 335 T C 0.250 174.945 174.700 -0.009 0.000 1.017 335 T CA -0.315 61.704 62.100 -0.136 0.000 0.899 335 T CB -0.334 68.405 68.868 -0.215 0.000 1.077 335 T HN 0.016 nan 8.240 nan 0.000 0.552 336 Q N 0.488 120.325 119.800 0.062 0.000 2.315 336 Q HA 0.298 4.641 4.340 0.005 0.000 0.273 336 Q C -1.227 174.855 176.000 0.137 0.000 1.053 336 Q CA -0.938 54.954 55.803 0.148 0.000 0.817 336 Q CB 1.958 30.725 28.738 0.048 0.000 1.326 336 Q HN 0.532 nan 8.270 nan 0.000 0.423 337 W N 3.403 124.798 121.300 0.158 0.000 2.391 337 W HA 0.115 4.778 4.660 0.005 0.000 0.339 337 W C -0.517 175.940 176.519 -0.103 0.000 1.252 337 W CA 1.390 58.738 57.345 0.005 0.000 1.304 337 W CB 0.625 30.253 29.460 0.281 0.000 1.179 337 W HN 0.780 nan 8.180 nan 0.000 0.567 338 S N 3.428 118.500 115.700 -1.046 0.000 2.672 338 S HA 0.348 4.821 4.470 0.005 0.000 0.271 338 S C -0.863 173.200 174.600 -0.895 0.000 1.171 338 S CA -0.880 56.817 58.200 -0.838 0.000 0.817 338 S CB 1.733 64.665 63.200 -0.447 0.000 1.150 338 S HN 0.617 nan 8.310 nan 0.000 0.478 339 H N 0.235 119.105 119.070 -0.334 0.000 2.469 339 H HA 0.430 4.990 4.556 0.005 0.000 0.286 339 H C 1.286 176.612 175.328 -0.004 0.000 1.106 339 H CA -0.315 55.671 56.048 -0.102 0.000 1.055 339 H CB 0.039 29.842 29.762 0.069 0.000 1.618 339 H HN 0.628 nan 8.280 nan 0.000 0.559 340 N N 0.493 119.180 118.700 -0.021 0.000 2.416 340 N HA -0.115 4.628 4.740 0.005 0.000 0.177 340 N C 1.460 176.985 175.510 0.025 0.000 1.036 340 N CA 0.141 53.203 53.050 0.020 0.000 0.901 340 N CB 0.162 38.630 38.487 -0.031 0.000 0.976 340 N HN 0.247 nan 8.380 nan 0.000 0.444 341 F N 1.163 120.998 119.950 -0.191 0.000 2.043 341 F HA -0.195 4.335 4.527 0.005 0.000 0.297 341 F C 1.629 177.248 175.800 -0.301 0.000 1.121 341 F CA 1.809 59.629 58.000 -0.300 0.000 1.199 341 F CB -0.531 38.121 39.000 -0.578 0.000 0.968 341 F HN -0.023 nan 8.300 nan 0.000 0.478 342 F N 0.407 120.397 119.950 0.067 0.000 2.325 342 F HA -0.105 4.425 4.527 0.005 0.000 0.299 342 F C 2.291 177.944 175.800 -0.246 0.000 1.090 342 F CA 1.019 58.955 58.000 -0.106 0.000 1.392 342 F CB -0.430 38.596 39.000 0.043 0.000 1.053 342 F HN 0.036 nan 8.300 nan 0.000 0.521 343 E N 0.231 120.482 120.200 0.084 0.000 2.110 343 E HA -0.190 4.163 4.350 0.005 0.000 0.193 343 E C 1.728 178.334 176.600 0.010 0.000 0.988 343 E CA 1.149 57.589 56.400 0.066 0.000 0.804 343 E CB -0.147 29.648 29.700 0.158 0.000 0.745 343 E HN 0.345 nan 8.360 nan 0.000 0.458 344 N N 0.570 119.296 118.700 0.043 0.000 2.250 344 N HA -0.097 4.646 4.740 0.005 0.000 0.181 344 N C 1.776 177.466 175.510 0.300 0.000 1.017 344 N CA 0.477 53.675 53.050 0.246 0.000 0.866 344 N CB -0.184 38.471 38.487 0.280 0.000 0.985 344 N HN 0.080 nan 8.380 nan 0.000 0.429 345 L N -0.136 121.030 121.223 -0.095 0.000 2.056 345 L HA 0.049 4.392 4.340 0.005 0.000 0.207 345 L C 1.521 178.332 176.870 -0.097 0.000 1.078 345 L CA 1.538 56.251 54.840 -0.212 0.000 0.749 345 L CB -0.532 41.084 42.059 -0.738 0.000 0.901 345 L HN 0.023 nan 8.230 nan 0.000 0.433 346 F N -1.233 118.687 119.950 -0.049 0.000 2.569 346 F HA 0.170 4.700 4.527 0.005 0.000 0.295 346 F C 2.245 177.993 175.800 -0.087 0.000 1.115 346 F CA 0.541 58.485 58.000 -0.094 0.000 1.450 346 F CB -0.384 38.474 39.000 -0.237 0.000 1.107 346 F HN 0.156 nan 8.300 nan 0.000 0.563 347 G N -1.407 107.395 108.800 0.002 0.000 2.880 347 G HA2 0.018 3.981 3.960 0.005 0.000 0.209 347 G HA3 0.018 3.981 3.960 0.005 0.000 0.209 347 G C -0.208 174.364 174.900 -0.547 0.000 1.157 347 G CA 0.272 45.204 45.100 -0.280 0.000 0.779 347 G HN 0.233 nan 8.290 nan 0.000 0.539 348 Y N -0.499 119.708 120.300 -0.156 0.000 2.602 348 Y HA 0.546 5.099 4.550 0.005 0.000 0.342 348 Y C -0.054 175.542 175.900 -0.506 0.000 1.029 348 Y CA -1.355 56.485 58.100 -0.434 0.000 1.080 348 Y CB 1.469 39.421 38.460 -0.847 0.000 1.284 348 Y HN -0.186 nan 8.280 nan 0.000 0.485 349 E N 0.634 120.679 120.200 -0.258 0.000 2.283 349 E HA 0.206 4.559 4.350 0.005 0.000 0.271 349 E C -1.574 174.774 176.600 -0.421 0.000 1.031 349 E CA -0.524 55.765 56.400 -0.185 0.000 0.868 349 E CB 1.224 30.921 29.700 -0.005 0.000 1.094 349 E HN 0.564 nan 8.360 nan 0.000 0.401 350 W N 0.628 122.037 121.300 0.181 0.000 2.666 350 W HA 0.349 5.012 4.660 0.005 0.000 0.334 350 W C 0.316 177.061 176.519 0.376 0.000 1.051 350 W CA -0.647 56.844 57.345 0.244 0.000 1.224 350 W CB 1.402 30.958 29.460 0.160 0.000 1.405 350 W HN 0.380 nan 8.180 nan 0.000 0.513 351 E N 2.475 123.022 120.200 0.579 0.000 2.199 351 E HA 0.456 4.809 4.350 0.005 0.000 0.269 351 E C -1.497 175.210 176.600 0.178 0.000 0.899 351 E CA -1.093 55.511 56.400 0.340 0.000 0.772 351 E CB 1.665 31.445 29.700 0.134 0.000 1.155 351 E HN 0.474 nan 8.360 nan 0.000 0.408 352 L N 3.632 124.680 121.223 -0.292 0.000 2.380 352 L HA 0.420 4.764 4.340 0.005 0.000 0.273 352 L C -0.329 176.309 176.870 -0.386 0.000 1.138 352 L CA 0.812 55.140 54.840 -0.854 0.000 0.832 352 L CB 1.388 42.834 42.059 -1.023 0.000 1.124 352 L HN 0.661 nan 8.230 nan 0.000 0.454 353 T N 3.611 117.956 114.554 -0.348 0.000 2.681 353 T HA 0.525 4.878 4.350 0.005 0.000 0.296 353 T C -1.330 173.283 174.700 -0.146 0.000 1.157 353 T CA -0.737 61.259 62.100 -0.174 0.000 1.025 353 T CB 1.111 69.922 68.868 -0.095 0.000 1.441 353 T HN 0.635 nan 8.240 nan 0.000 0.504 354 K N 1.215 121.549 120.400 -0.111 0.000 2.371 354 K HA 0.605 4.928 4.320 0.005 0.000 0.251 354 K C -0.212 176.324 176.600 -0.107 0.000 0.934 354 K CA -0.767 55.448 56.287 -0.120 0.000 0.798 354 K CB 1.925 34.349 32.500 -0.126 0.000 1.204 354 K HN 0.744 nan 8.250 nan 0.000 0.427 355 S N 1.229 116.861 115.700 -0.113 0.000 2.641 355 S HA 0.238 4.711 4.470 0.005 0.000 0.261 355 S C -1.860 172.673 174.600 -0.111 0.000 1.257 355 S CA -0.942 57.193 58.200 -0.109 0.000 0.983 355 S CB 0.534 63.668 63.200 -0.111 0.000 0.990 355 S HN 0.349 nan 8.310 nan 0.000 0.572 356 P HA 0.155 nan 4.420 nan 0.000 0.230 356 P C 0.748 177.958 177.300 -0.151 0.000 1.158 356 P CA 1.062 64.088 63.100 -0.123 0.000 0.769 356 P CB -0.202 31.420 31.700 -0.129 0.000 0.807 357 A N -0.947 121.784 122.820 -0.149 0.000 2.275 357 A HA 0.510 4.833 4.320 0.005 0.000 0.212 357 A C 1.616 179.126 177.584 -0.123 0.000 1.201 357 A CA 0.623 52.574 52.037 -0.143 0.000 0.843 357 A CB -0.956 17.968 19.000 -0.126 0.000 0.873 357 A HN 0.228 nan 8.150 nan 0.000 0.492 358 G N -2.101 106.621 108.800 -0.130 0.000 2.176 358 G HA2 0.129 4.092 3.960 0.005 0.000 0.232 358 G HA3 0.129 4.092 3.960 0.005 0.000 0.232 358 G C 0.355 175.127 174.900 -0.214 0.000 0.986 358 G CA 0.152 45.160 45.100 -0.152 0.000 0.643 358 G HN 1.536 nan 8.290 nan 0.000 0.522 359 A N 0.696 123.406 122.820 -0.183 0.000 2.304 359 A HA 0.696 5.019 4.320 0.005 0.000 0.301 359 A C 0.334 177.798 177.584 -0.200 0.000 1.132 359 A CA -0.537 51.383 52.037 -0.194 0.000 0.819 359 A CB 0.348 19.298 19.000 -0.084 0.000 1.094 359 A HN 0.405 nan 8.150 nan 0.000 0.492 360 H N 1.533 120.560 119.070 -0.072 0.000 2.803 360 H HA 0.307 4.866 4.556 0.005 0.000 0.330 360 H C 0.329 175.587 175.328 -0.116 0.000 1.057 360 H CA 0.823 56.789 56.048 -0.136 0.000 1.458 360 H CB 0.630 30.321 29.762 -0.119 0.000 1.470 360 H HN 0.795 nan 8.280 nan 0.000 0.560 361 Q N 1.640 121.384 119.800 -0.092 0.000 2.814 361 Q HA 0.444 4.787 4.340 0.005 0.000 0.322 361 Q C -1.658 174.210 176.000 -0.220 0.000 0.861 361 Q CA -1.100 54.692 55.803 -0.017 0.000 0.773 361 Q CB 1.821 30.568 28.738 0.016 0.000 1.423 361 Q HN 0.416 nan 8.270 nan 0.000 0.495 362 W N 0.222 121.540 121.300 0.030 0.000 2.936 362 W HA 0.733 5.397 4.660 0.005 0.000 0.338 362 W C -1.182 175.469 176.519 0.219 0.000 1.121 362 W CA -0.723 56.695 57.345 0.121 0.000 1.209 362 W CB 2.226 31.743 29.460 0.095 0.000 1.420 362 W HN 0.504 nan 8.180 nan 0.000 0.516 363 V N 2.406 122.621 119.914 0.501 0.000 2.823 363 V HA 0.846 4.969 4.120 0.005 0.000 0.312 363 V C -0.541 175.671 176.094 0.196 0.000 1.072 363 V CA -1.132 61.372 62.300 0.340 0.000 0.937 363 V CB 1.693 33.580 31.823 0.106 0.000 1.013 363 V HN 0.678 nan 8.190 nan 0.000 0.430 364 A N 5.542 128.236 122.820 -0.210 0.000 2.404 364 A HA 0.427 4.750 4.320 0.005 0.000 0.273 364 A C 0.222 177.542 177.584 -0.440 0.000 1.144 364 A CA -0.154 51.370 52.037 -0.855 0.000 0.806 364 A CB -0.214 17.934 19.000 -1.421 0.000 1.080 364 A HN 0.841 nan 8.150 nan 0.000 0.509 365 K N 1.709 121.922 120.400 -0.311 0.000 2.412 365 K HA 0.307 4.630 4.320 0.005 0.000 0.281 365 K C 1.262 177.800 176.600 -0.103 0.000 1.027 365 K CA 0.916 57.124 56.287 -0.133 0.000 0.989 365 K CB 0.385 32.845 32.500 -0.067 0.000 0.935 365 K HN 1.272 nan 8.250 nan 0.000 0.475 366 G N 1.659 110.418 108.800 -0.070 0.000 2.244 366 G HA2 -0.354 3.609 3.960 0.005 0.000 0.274 366 G HA3 -0.354 3.609 3.960 0.005 0.000 0.274 366 G C 0.295 175.176 174.900 -0.031 0.000 1.002 366 G CA 0.556 45.634 45.100 -0.038 0.000 0.740 366 G HN 0.816 nan 8.290 nan 0.000 0.516 367 A N -0.482 122.273 122.820 -0.108 0.000 2.366 367 A HA 0.551 4.874 4.320 0.005 0.000 0.249 367 A C 0.542 178.091 177.584 -0.059 0.000 1.084 367 A CA 0.020 51.997 52.037 -0.100 0.000 0.794 367 A CB 0.479 19.165 19.000 -0.523 0.000 1.034 367 A HN 0.301 nan 8.150 nan 0.000 0.491 368 D N 0.193 120.590 120.400 -0.005 0.000 2.377 368 D HA 0.409 5.052 4.640 0.005 0.000 0.245 368 D C 0.312 176.593 176.300 -0.032 0.000 1.196 368 D CA 0.480 54.472 54.000 -0.012 0.000 0.962 368 D CB 0.923 41.729 40.800 0.010 0.000 1.127 368 D HN 0.604 nan 8.370 nan 0.000 0.471 369 A N 0.825 123.626 122.820 -0.031 0.000 2.671 369 A HA 0.294 4.617 4.320 0.005 0.000 0.306 369 A C 0.989 178.558 177.584 -0.025 0.000 1.473 369 A CA -0.445 51.569 52.037 -0.039 0.000 1.155 369 A CB -0.682 18.278 19.000 -0.066 0.000 1.123 369 A HN 0.375 nan 8.150 nan 0.000 0.545 370 V N 0.467 120.379 119.914 -0.003 0.000 3.605 370 V HA 0.339 4.463 4.120 0.005 0.000 0.284 370 V C 0.309 176.419 176.094 0.027 0.000 1.386 370 V CA -0.119 62.190 62.300 0.016 0.000 1.053 370 V CB -0.453 31.395 31.823 0.042 0.000 0.857 370 V HN 0.533 nan 8.190 nan 0.000 0.436 371 I N 4.029 124.625 120.570 0.043 0.000 2.353 371 I HA 0.486 4.659 4.170 0.005 0.000 0.293 371 I C -2.320 173.868 176.117 0.118 0.000 0.992 371 I CA -2.646 58.702 61.300 0.080 0.000 1.268 371 I CB 1.294 39.357 38.000 0.105 0.000 1.387 371 I HN 0.119 nan 8.210 nan 0.000 0.478 372 P HA 0.060 nan 4.420 nan 0.000 0.272 372 P C -0.413 177.090 177.300 0.338 0.000 1.223 372 P CA -0.239 62.970 63.100 0.183 0.000 0.784 372 P CB 1.302 33.109 31.700 0.177 0.000 0.923 373 D N 0.797 121.333 120.400 0.227 0.000 2.313 373 D HA 0.162 4.805 4.640 0.005 0.000 0.247 373 D C 1.035 177.294 176.300 -0.068 0.000 1.094 373 D CA -0.328 53.794 54.000 0.203 0.000 0.925 373 D CB 1.508 42.397 40.800 0.149 0.000 1.188 373 D HN 0.296 nan 8.370 nan 0.000 0.430 374 A N 2.843 125.386 122.820 -0.461 0.000 2.067 374 A HA -0.033 4.290 4.320 0.005 0.000 0.217 374 A C 1.153 178.004 177.584 -1.222 0.000 1.156 374 A CA 0.877 52.075 52.037 -1.399 0.000 0.683 374 A CB -0.153 18.028 19.000 -1.364 0.000 0.808 374 A HN 0.607 nan 8.150 nan 0.000 0.455 375 F N -1.791 118.011 119.950 -0.246 0.000 2.815 375 F HA 0.238 4.768 4.527 0.005 0.000 0.328 375 F C 0.089 175.838 175.800 -0.084 0.000 0.982 375 F CA -0.462 57.443 58.000 -0.158 0.000 1.154 375 F CB 0.800 39.705 39.000 -0.158 0.000 0.980 375 F HN 0.044 nan 8.300 nan 0.000 0.603 376 D N 1.539 121.990 120.400 0.084 0.000 2.441 376 D HA 0.276 4.919 4.640 0.005 0.000 0.231 376 D C -2.112 174.199 176.300 0.020 0.000 1.073 376 D CA -2.459 51.573 54.000 0.054 0.000 0.850 376 D CB 1.772 42.604 40.800 0.055 0.000 1.062 376 D HN -0.101 nan 8.370 nan 0.000 0.524 377 P HA -0.134 nan 4.420 nan 0.000 0.220 377 P C 1.066 178.363 177.300 -0.006 0.000 1.144 377 P CA 0.939 64.043 63.100 0.006 0.000 0.800 377 P CB 0.199 31.903 31.700 0.007 0.000 0.772 378 S N -2.451 113.242 115.700 -0.011 0.000 2.593 378 S HA 0.098 4.571 4.470 0.005 0.000 0.217 378 S C 0.666 175.235 174.600 -0.051 0.000 0.966 378 S CA -0.156 58.030 58.200 -0.024 0.000 0.914 378 S CB -0.510 62.680 63.200 -0.017 0.000 0.776 378 S HN 0.059 nan 8.310 nan 0.000 0.523 379 K N 1.203 121.561 120.400 -0.070 0.000 2.221 379 K HA 0.545 4.868 4.320 0.005 0.000 0.258 379 K C -0.615 175.829 176.600 -0.259 0.000 0.944 379 K CA -0.628 55.560 56.287 -0.165 0.000 0.823 379 K CB 1.631 34.042 32.500 -0.149 0.000 1.113 379 K HN 0.095 nan 8.250 nan 0.000 0.431 380 K N 1.530 121.707 120.400 -0.373 0.000 2.444 380 K HA 0.468 4.791 4.320 0.005 0.000 0.252 380 K C -0.801 175.459 176.600 -0.567 0.000 0.993 380 K CA -0.952 55.126 56.287 -0.349 0.000 0.847 380 K CB 1.971 34.386 32.500 -0.140 0.000 1.340 380 K HN 0.568 nan 8.250 nan 0.000 0.446 381 H N 0.728 119.793 119.070 -0.009 0.000 2.928 381 H HA 0.340 4.899 4.556 0.005 0.000 0.371 381 H C -0.369 174.934 175.328 -0.043 0.000 1.186 381 H CA -0.782 55.250 56.048 -0.026 0.000 1.134 381 H CB 1.694 31.439 29.762 -0.027 0.000 1.824 381 H HN 0.324 nan 8.280 nan 0.000 0.554 382 R N 1.200 121.738 120.500 0.064 0.000 2.641 382 R HA 0.211 4.554 4.340 0.005 0.000 0.269 382 R C -2.270 174.010 176.300 -0.033 0.000 1.074 382 R CA -1.488 54.589 56.100 -0.039 0.000 1.133 382 R CB -0.077 30.174 30.300 -0.082 0.000 1.029 382 R HN 0.291 nan 8.270 nan 0.000 0.488 383 P HA -0.029 nan 4.420 nan 0.000 0.266 383 P C -0.767 176.618 177.300 0.141 0.000 1.195 383 P CA 0.340 63.429 63.100 -0.019 0.000 0.768 383 P CB 0.721 32.340 31.700 -0.134 0.000 0.838 384 T N -0.248 114.403 114.554 0.161 0.000 2.864 384 T HA 0.826 5.179 4.350 0.005 0.000 0.299 384 T C -0.721 173.932 174.700 -0.078 0.000 1.166 384 T CA -0.857 61.334 62.100 0.151 0.000 1.007 384 T CB 1.242 70.086 68.868 -0.040 0.000 1.219 384 T HN 0.123 nan 8.240 nan 0.000 0.506 385 M N 1.592 121.106 119.600 -0.142 0.000 2.520 385 M HA 0.455 4.939 4.480 0.005 0.000 0.283 385 M C -1.147 175.176 176.300 0.037 0.000 1.237 385 M CA -0.664 54.498 55.300 -0.230 0.000 0.885 385 M CB 2.312 34.395 32.600 -0.862 0.000 1.727 385 M HN 0.695 nan 8.290 nan 0.000 0.468 386 L N 0.795 122.118 121.223 0.168 0.000 2.439 386 L HA 0.341 4.684 4.340 0.005 0.000 0.261 386 L C 1.569 178.545 176.870 0.176 0.000 1.153 386 L CA -0.215 54.775 54.840 0.250 0.000 0.808 386 L CB 0.490 42.728 42.059 0.298 0.000 1.126 386 L HN 0.784 nan 8.230 nan 0.000 0.460 387 T N -0.554 114.197 114.554 0.329 0.000 2.653 387 T HA -0.218 4.135 4.350 0.005 0.000 0.268 387 T C 1.709 176.432 174.700 0.038 0.000 1.035 387 T CA 2.306 64.523 62.100 0.195 0.000 1.154 387 T CB -0.318 68.768 68.868 0.363 0.000 0.862 387 T HN 0.922 nan 8.240 nan 0.000 0.441 388 T N 0.162 114.789 114.554 0.122 0.000 3.035 388 T HA -0.050 4.303 4.350 0.005 0.000 0.268 388 T C 1.420 176.141 174.700 0.035 0.000 1.109 388 T CA 0.822 62.978 62.100 0.093 0.000 1.119 388 T CB -0.194 68.770 68.868 0.161 0.000 0.900 388 T HN 0.262 nan 8.240 nan 0.000 0.503 389 D N 1.728 122.163 120.400 0.059 0.000 2.123 389 D HA 0.052 4.695 4.640 0.005 0.000 0.200 389 D C 2.149 178.357 176.300 -0.153 0.000 0.976 389 D CA 0.696 54.720 54.000 0.040 0.000 0.831 389 D CB -0.223 40.655 40.800 0.131 0.000 0.974 389 D HN 0.358 nan 8.370 nan 0.000 0.469 390 L N 0.946 121.997 121.223 -0.287 0.000 2.191 390 L HA -0.128 4.215 4.340 0.005 0.000 0.212 390 L C 2.380 179.201 176.870 -0.082 0.000 1.103 390 L CA 0.592 55.243 54.840 -0.314 0.000 0.769 390 L CB -0.402 41.342 42.059 -0.525 0.000 0.908 390 L HN -0.061 nan 8.230 nan 0.000 0.438 391 S N 0.307 115.983 115.700 -0.040 0.000 2.400 391 S HA -0.132 4.341 4.470 0.005 0.000 0.232 391 S C 1.887 176.524 174.600 0.063 0.000 1.025 391 S CA 1.109 59.348 58.200 0.065 0.000 0.993 391 S CB -0.208 63.041 63.200 0.082 0.000 0.808 391 S HN 0.382 nan 8.310 nan 0.000 0.478 392 L N 0.426 121.603 121.223 -0.076 0.000 2.376 392 L HA 0.058 4.401 4.340 0.005 0.000 0.219 392 L C 2.467 179.269 176.870 -0.113 0.000 1.133 392 L CA 0.805 55.590 54.840 -0.091 0.000 0.816 392 L CB -0.282 41.730 42.059 -0.078 0.000 0.933 392 L HN 0.239 nan 8.230 nan 0.000 0.449 393 R N -0.405 119.908 120.500 -0.312 0.000 2.167 393 R HA 0.044 4.387 4.340 0.005 0.000 0.201 393 R C 1.834 177.791 176.300 -0.572 0.000 1.024 393 R CA 0.545 56.294 56.100 -0.585 0.000 1.053 393 R CB 0.058 29.712 30.300 -1.075 0.000 0.987 393 R HN 0.124 nan 8.270 nan 0.000 0.493 394 F N 0.571 120.490 119.950 -0.053 0.000 2.698 394 F HA 0.192 4.722 4.527 0.005 0.000 0.295 394 F C 0.379 176.173 175.800 -0.009 0.000 1.124 394 F CA -0.307 57.673 58.000 -0.035 0.000 1.426 394 F CB 0.211 39.159 39.000 -0.086 0.000 1.120 394 F HN 0.042 nan 8.300 nan 0.000 0.583 395 D N 0.730 121.201 120.400 0.120 0.000 2.312 395 D HA 0.103 4.746 4.640 0.005 0.000 0.252 395 D C -1.926 174.370 176.300 -0.006 0.000 1.150 395 D CA -1.711 52.312 54.000 0.039 0.000 0.870 395 D CB 1.387 42.184 40.800 -0.004 0.000 1.153 395 D HN -0.133 nan 8.370 nan 0.000 0.457 396 P HA -0.081 nan 4.420 nan 0.000 0.218 396 P C 0.694 177.960 177.300 -0.057 0.000 1.149 396 P CA 1.026 64.110 63.100 -0.026 0.000 0.817 396 P CB 0.193 31.878 31.700 -0.026 0.000 0.785 397 A N -1.519 121.228 122.820 -0.120 0.000 1.897 397 A HA -0.178 4.145 4.320 0.005 0.000 0.215 397 A C 2.066 179.609 177.584 -0.069 0.000 1.181 397 A CA 1.237 53.194 52.037 -0.134 0.000 0.620 397 A CB -1.831 17.044 19.000 -0.207 0.000 0.821 397 A HN 0.190 nan 8.150 nan 0.000 0.443 398 Y N -0.564 119.692 120.300 -0.074 0.000 2.293 398 Y HA -0.169 4.384 4.550 0.005 0.000 0.291 398 Y C 2.643 178.480 175.900 -0.105 0.000 1.137 398 Y CA 0.807 58.847 58.100 -0.100 0.000 1.202 398 Y CB 0.108 38.514 38.460 -0.089 0.000 0.990 398 Y HN 0.362 nan 8.280 nan 0.000 0.537 399 E N 1.495 121.739 120.200 0.074 0.000 2.110 399 E HA -0.201 4.152 4.350 0.005 0.000 0.193 399 E C 1.595 178.192 176.600 -0.006 0.000 0.988 399 E CA 1.249 57.681 56.400 0.053 0.000 0.804 399 E CB 0.021 29.736 29.700 0.024 0.000 0.745 399 E HN 0.500 nan 8.360 nan 0.000 0.458 400 K N 0.009 120.375 120.400 -0.056 0.000 2.097 400 K HA -0.056 4.267 4.320 0.005 0.000 0.205 400 K C 2.372 178.851 176.600 -0.202 0.000 1.050 400 K CA 1.204 57.423 56.287 -0.114 0.000 0.938 400 K CB -0.072 32.370 32.500 -0.097 0.000 0.718 400 K HN 0.173 nan 8.250 nan 0.000 0.442 401 I N 0.875 121.303 120.570 -0.237 0.000 2.202 401 I HA -0.253 3.920 4.170 0.005 0.000 0.242 401 I C 2.206 177.899 176.117 -0.707 0.000 1.091 401 I CA 1.019 62.021 61.300 -0.496 0.000 1.368 401 I CB -0.274 37.468 38.000 -0.430 0.000 1.058 401 I HN 0.028 nan 8.210 nan 0.000 0.410 402 S N 0.567 116.010 115.700 -0.428 0.000 2.374 402 S HA -0.172 4.301 4.470 0.005 0.000 0.227 402 S C 2.100 176.408 174.600 -0.487 0.000 1.037 402 S CA 1.231 59.121 58.200 -0.516 0.000 1.024 402 S CB -0.300 62.883 63.200 -0.029 0.000 0.861 402 S HN 0.340 nan 8.310 nan 0.000 0.456 403 R N 0.747 121.075 120.500 -0.288 0.000 2.092 403 R HA 0.020 4.363 4.340 0.005 0.000 0.231 403 R C 2.536 178.653 176.300 -0.305 0.000 1.119 403 R CA 0.968 56.813 56.100 -0.426 0.000 0.970 403 R CB -0.354 29.706 30.300 -0.400 0.000 0.864 403 R HN 0.374 nan 8.270 nan 0.000 0.440 404 R N 0.202 120.523 120.500 -0.298 0.000 2.075 404 R HA -0.055 4.288 4.340 0.005 0.000 0.232 404 R C 2.181 178.462 176.300 -0.033 0.000 1.126 404 R CA 1.274 57.263 56.100 -0.185 0.000 0.963 404 R CB -0.259 29.911 30.300 -0.217 0.000 0.858 404 R HN 0.167 nan 8.270 nan 0.000 0.435 405 F N -0.840 118.952 119.950 -0.263 0.000 2.171 405 F HA -0.236 4.293 4.527 0.005 0.000 0.300 405 F C 2.520 178.184 175.800 -0.226 0.000 1.090 405 F CA 0.896 58.738 58.000 -0.263 0.000 1.293 405 F CB -0.288 38.386 39.000 -0.543 0.000 1.013 405 F HN 0.305 nan 8.300 nan 0.000 0.486 406 H N 0.650 119.543 119.070 -0.295 0.000 2.389 406 H HA -0.113 4.446 4.556 0.005 0.000 0.299 406 H C 1.783 177.071 175.328 -0.067 0.000 1.081 406 H CA 1.847 57.827 56.048 -0.114 0.000 1.345 406 H CB -0.202 29.465 29.762 -0.159 0.000 1.393 406 H HN 0.266 nan 8.280 nan 0.000 0.520 407 E N -0.603 119.494 120.200 -0.171 0.000 2.299 407 E HA 0.012 4.365 4.350 0.005 0.000 0.193 407 E C -0.124 176.418 176.600 -0.096 0.000 0.998 407 E CA 0.338 56.612 56.400 -0.209 0.000 0.851 407 E CB 0.335 29.931 29.700 -0.172 0.000 0.795 407 E HN 0.434 nan 8.360 nan 0.000 0.492 408 N N 0.756 119.453 118.700 -0.005 0.000 2.790 408 N HA 0.121 4.865 4.740 0.005 0.000 0.256 408 N C -2.394 173.178 175.510 0.102 0.000 1.409 408 N CA -0.956 52.123 53.050 0.048 0.000 0.799 408 N CB 1.521 40.061 38.487 0.088 0.000 1.170 408 N HN -0.031 nan 8.380 nan 0.000 0.507 409 P HA -0.048 nan 4.420 nan 0.000 0.223 409 P C 1.094 178.477 177.300 0.138 0.000 1.151 409 P CA 1.013 64.111 63.100 -0.003 0.000 0.787 409 P CB 0.661 31.942 31.700 -0.698 0.000 0.788 410 E N -0.150 120.117 120.200 0.112 0.000 2.118 410 E HA -0.216 4.137 4.350 0.005 0.000 0.195 410 E C 2.105 178.790 176.600 0.141 0.000 0.992 410 E CA 1.048 57.530 56.400 0.136 0.000 0.804 410 E CB -0.297 29.464 29.700 0.101 0.000 0.741 410 E HN 0.415 nan 8.360 nan 0.000 0.458 411 Q N -0.447 119.454 119.800 0.167 0.000 2.119 411 Q HA -0.153 4.190 4.340 0.005 0.000 0.201 411 Q C 2.013 178.072 176.000 0.099 0.000 0.972 411 Q CA 0.919 56.842 55.803 0.200 0.000 0.847 411 Q CB -0.138 28.787 28.738 0.312 0.000 0.903 411 Q HN 0.257 nan 8.270 nan 0.000 0.433 412 F N 1.357 121.189 119.950 -0.197 0.000 2.113 412 F HA -0.105 4.425 4.527 0.005 0.000 0.297 412 F C 2.091 177.825 175.800 -0.111 0.000 1.103 412 F CA 1.279 58.868 58.000 -0.684 0.000 1.248 412 F CB -0.754 38.088 39.000 -0.262 0.000 0.999 412 F HN -0.021 nan 8.300 nan 0.000 0.475 413 A N -0.233 122.613 122.820 0.043 0.000 1.902 413 A HA -0.238 4.085 4.320 0.005 0.000 0.217 413 A C 1.961 179.591 177.584 0.076 0.000 1.181 413 A CA 2.069 54.160 52.037 0.091 0.000 0.623 413 A CB -1.249 17.850 19.000 0.165 0.000 0.818 413 A HN 0.502 nan 8.150 nan 0.000 0.443 414 D N -0.727 119.705 120.400 0.054 0.000 2.123 414 D HA 0.077 4.720 4.640 0.005 0.000 0.200 414 D C 2.038 178.380 176.300 0.070 0.000 0.976 414 D CA 1.326 55.359 54.000 0.055 0.000 0.831 414 D CB -0.179 40.665 40.800 0.073 0.000 0.974 414 D HN 0.312 nan 8.370 nan 0.000 0.469 415 A N -0.138 122.730 122.820 0.080 0.000 1.908 415 A HA -0.141 4.182 4.320 0.005 0.000 0.218 415 A C 2.252 179.946 177.584 0.184 0.000 1.181 415 A CA 1.223 53.337 52.037 0.129 0.000 0.627 415 A CB -1.290 17.828 19.000 0.196 0.000 0.818 415 A HN 0.508 nan 8.150 nan 0.000 0.445 416 F N 0.513 120.441 119.950 -0.035 0.000 2.146 416 F HA -0.037 4.493 4.527 0.005 0.000 0.298 416 F C 2.532 178.410 175.800 0.130 0.000 1.096 416 F CA 1.022 59.005 58.000 -0.029 0.000 1.275 416 F CB -0.052 38.761 39.000 -0.311 0.000 1.008 416 F HN 0.288 nan 8.300 nan 0.000 0.480 417 A N 0.805 123.709 122.820 0.140 0.000 1.933 417 A HA -0.184 4.139 4.320 0.005 0.000 0.218 417 A C 2.187 179.807 177.584 0.059 0.000 1.175 417 A CA 1.620 53.731 52.037 0.125 0.000 0.628 417 A CB -0.656 18.405 19.000 0.102 0.000 0.814 417 A HN 0.452 nan 8.150 nan 0.000 0.444 418 R N -0.772 119.671 120.500 -0.095 0.000 2.073 418 R HA 0.030 4.373 4.340 0.005 0.000 0.229 418 R C 2.497 178.800 176.300 0.005 0.000 1.120 418 R CA 1.050 56.975 56.100 -0.291 0.000 0.967 418 R CB -0.407 29.713 30.300 -0.300 0.000 0.862 418 R HN 0.488 nan 8.270 nan 0.000 0.436 419 A N 0.985 123.852 122.820 0.078 0.000 1.972 419 A HA -0.197 4.126 4.320 0.005 0.000 0.219 419 A C 1.853 179.512 177.584 0.125 0.000 1.169 419 A CA 0.940 53.041 52.037 0.107 0.000 0.635 419 A CB -0.859 18.259 19.000 0.197 0.000 0.810 419 A HN 0.611 nan 8.150 nan 0.000 0.446 420 W N -0.487 120.773 121.300 -0.066 0.000 2.379 420 W HA -0.215 4.448 4.660 0.005 0.000 0.307 420 W C 1.867 178.437 176.519 0.085 0.000 1.200 420 W CA 1.685 58.990 57.345 -0.066 0.000 1.297 420 W CB -0.453 28.812 29.460 -0.326 0.000 1.140 420 W HN 0.411 nan 8.180 nan 0.000 0.507 421 F N 2.132 122.148 119.950 0.110 0.000 2.095 421 F HA -0.220 4.310 4.527 0.004 0.000 0.298 421 F C 2.631 178.458 175.800 0.046 0.000 1.104 421 F CA 2.825 60.901 58.000 0.128 0.000 1.232 421 F CB -0.796 38.354 39.000 0.249 0.000 0.987 421 F HN -0.214 nan 8.300 nan 0.000 0.475 422 K N 0.208 120.514 120.400 -0.157 0.000 2.002 422 K HA -0.224 4.099 4.320 0.005 0.000 0.209 422 K C 2.194 178.354 176.600 -0.733 0.000 1.048 422 K CA 1.724 57.550 56.287 -0.769 0.000 0.930 422 K CB -0.673 31.322 32.500 -0.842 0.000 0.714 422 K HN 0.349 nan 8.250 nan 0.000 0.438 423 L N 1.498 122.456 121.223 -0.441 0.000 2.021 423 L HA -0.203 4.140 4.340 0.005 0.000 0.215 423 L C 2.098 178.681 176.870 -0.479 0.000 1.074 423 L CA 2.750 57.372 54.840 -0.363 0.000 0.760 423 L CB -1.022 40.908 42.059 -0.215 0.000 0.889 423 L HN 0.498 nan 8.230 nan 0.000 0.433 424 T N -5.303 108.902 114.554 -0.581 0.000 3.107 424 T HA 0.043 4.396 4.350 0.005 0.000 0.249 424 T C 0.940 175.183 174.700 -0.762 0.000 1.096 424 T CA 0.825 62.548 62.100 -0.627 0.000 1.012 424 T CB -0.502 67.940 68.868 -0.711 0.000 0.977 424 T HN 0.547 nan 8.240 nan 0.000 0.527 425 H N -0.838 117.834 119.070 -0.664 0.000 3.058 425 H HA 0.477 5.035 4.556 0.005 0.000 0.266 425 H C 1.882 176.974 175.328 -0.395 0.000 1.135 425 H CA -0.436 55.261 56.048 -0.585 0.000 1.174 425 H CB 0.426 29.694 29.762 -0.822 0.000 1.581 425 H HN 0.067 nan 8.280 nan 0.000 0.553 426 R N 1.601 121.780 120.500 -0.535 0.000 2.127 426 R HA -0.091 4.252 4.340 0.005 0.000 0.238 426 R C 0.623 176.673 176.300 -0.417 0.000 1.134 426 R CA 1.851 57.584 56.100 -0.613 0.000 0.975 426 R CB -0.077 29.675 30.300 -0.913 0.000 0.865 426 R HN 0.428 nan 8.270 nan 0.000 0.447 427 D N -1.582 118.558 120.400 -0.435 0.000 2.388 427 D HA -0.019 4.624 4.640 0.005 0.000 0.221 427 D C 1.167 177.382 176.300 -0.142 0.000 1.133 427 D CA 0.054 53.902 54.000 -0.253 0.000 0.831 427 D CB -0.118 40.542 40.800 -0.234 0.000 0.962 427 D HN 0.278 nan 8.370 nan 0.000 0.502 428 M N 0.296 119.832 119.600 -0.108 0.000 2.558 428 M HA 0.171 4.654 4.480 0.005 0.000 0.255 428 M C 1.086 177.369 176.300 -0.027 0.000 1.113 428 M CA 0.891 56.139 55.300 -0.087 0.000 1.097 428 M CB 0.048 32.574 32.600 -0.123 0.000 1.426 428 M HN 0.324 nan 8.290 nan 0.000 0.488 429 G N 0.832 109.647 108.800 0.026 0.000 2.542 429 G HA2 -0.196 3.767 3.960 0.005 0.000 0.235 429 G HA3 -0.196 3.767 3.960 0.005 0.000 0.235 429 G C -2.822 172.070 174.900 -0.014 0.000 1.286 429 G CA -1.121 43.962 45.100 -0.027 0.000 0.904 429 G HN 0.174 nan 8.290 nan 0.000 0.577 430 P HA 0.310 nan 4.420 nan 0.000 0.269 430 P C 0.952 178.097 177.300 -0.258 0.000 1.215 430 P CA -0.159 62.879 63.100 -0.104 0.000 0.780 430 P CB 0.311 32.026 31.700 0.024 0.000 0.898 431 R N 2.039 122.274 120.500 -0.443 0.000 2.200 431 R HA -0.155 4.188 4.340 0.005 0.000 0.234 431 R C 1.898 177.970 176.300 -0.380 0.000 1.127 431 R CA 1.515 57.141 56.100 -0.791 0.000 0.989 431 R CB -0.896 29.026 30.300 -0.630 0.000 0.869 431 R HN 0.506 nan 8.270 nan 0.000 0.459 432 A N 1.361 124.078 122.820 -0.170 0.000 2.076 432 A HA -0.166 4.157 4.320 0.005 0.000 0.220 432 A C 1.884 179.465 177.584 -0.004 0.000 1.160 432 A CA 1.119 53.126 52.037 -0.050 0.000 0.653 432 A CB -0.293 18.723 19.000 0.026 0.000 0.801 432 A HN 0.260 nan 8.150 nan 0.000 0.455 433 R N -1.816 118.666 120.500 -0.030 0.000 2.240 433 R HA 0.027 4.370 4.340 0.005 0.000 0.203 433 R C -0.420 175.955 176.300 0.124 0.000 1.011 433 R CA 0.011 56.106 56.100 -0.008 0.000 1.007 433 R CB -0.109 30.096 30.300 -0.159 0.000 0.911 433 R HN 0.494 nan 8.270 nan 0.000 0.468 434 Y N 1.640 121.885 120.300 -0.092 0.000 2.569 434 Y HA 0.141 4.694 4.550 0.006 0.000 0.332 434 Y C 0.580 176.444 175.900 -0.061 0.000 1.120 434 Y CA -0.442 57.611 58.100 -0.078 0.000 1.416 434 Y CB 0.078 38.519 38.460 -0.031 0.000 1.210 434 Y HN -0.102 nan 8.280 nan 0.000 0.528 435 L N 2.430 123.662 121.223 0.014 0.000 2.333 435 L HA 0.881 5.224 4.340 0.005 0.000 0.269 435 L C 0.555 177.570 176.870 0.241 0.000 1.010 435 L CA -0.869 54.023 54.840 0.086 0.000 0.818 435 L CB 1.972 44.041 42.059 0.017 0.000 1.306 435 L HN 0.805 nan 8.230 nan 0.000 0.430 436 G N 1.925 110.905 108.800 0.299 0.000 2.592 436 G HA2 -0.108 3.855 3.960 0.005 0.000 0.684 436 G HA3 -0.108 3.855 3.960 0.005 0.000 0.684 436 G C -2.454 172.550 174.900 0.173 0.000 1.291 436 G CA -0.325 44.966 45.100 0.317 0.000 0.891 436 G HN 0.528 nan 8.290 nan 0.000 0.544 437 P HA 0.166 nan 4.420 nan 0.000 0.249 437 P C 0.592 177.937 177.300 0.074 0.000 1.229 437 P CA 0.953 64.097 63.100 0.072 0.000 0.788 437 P CB 0.338 32.059 31.700 0.035 0.000 1.072 438 E N -0.280 120.001 120.200 0.135 0.000 2.558 438 E HA 0.150 4.503 4.350 0.005 0.000 0.205 438 E C -0.204 176.433 176.600 0.062 0.000 1.006 438 E CA -0.283 56.181 56.400 0.106 0.000 0.961 438 E CB 0.945 30.774 29.700 0.215 0.000 1.044 438 E HN 0.010 nan 8.360 nan 0.000 0.465 439 V N 3.969 123.918 119.914 0.057 0.000 2.529 439 V HA 0.043 4.166 4.120 0.005 0.000 0.292 439 V C -1.964 174.073 176.094 -0.095 0.000 1.028 439 V CA -1.158 61.166 62.300 0.039 0.000 1.074 439 V CB -0.002 31.891 31.823 0.116 0.000 0.958 439 V HN 0.106 nan 8.190 nan 0.000 0.481 440 P HA 0.162 nan 4.420 nan 0.000 0.267 440 P C 0.472 177.629 177.300 -0.238 0.000 1.205 440 P CA -0.083 62.760 63.100 -0.429 0.000 0.765 440 P CB 0.925 32.161 31.700 -0.773 0.000 0.828 441 A N 2.887 125.575 122.820 -0.219 0.000 2.067 441 A HA -0.130 4.193 4.320 0.005 0.000 0.219 441 A C 1.058 178.570 177.584 -0.120 0.000 1.158 441 A CA 0.677 52.630 52.037 -0.139 0.000 0.661 441 A CB -0.706 18.223 19.000 -0.118 0.000 0.801 441 A HN 0.652 nan 8.150 nan 0.000 0.452 442 E N 0.542 120.663 120.200 -0.132 0.000 2.376 442 E HA 0.308 4.661 4.350 0.005 0.000 0.266 442 E C -1.049 175.530 176.600 -0.035 0.000 1.009 442 E CA -0.362 56.012 56.400 -0.043 0.000 0.902 442 E CB 0.634 30.370 29.700 0.060 0.000 0.972 442 E HN 0.112 nan 8.360 nan 0.000 0.439 443 V N 6.541 126.420 119.914 -0.057 0.000 2.461 443 V HA 0.201 4.324 4.120 0.005 0.000 0.275 443 V C 0.237 176.264 176.094 -0.111 0.000 1.047 443 V CA -0.249 61.985 62.300 -0.109 0.000 0.955 443 V CB 0.719 32.476 31.823 -0.109 0.000 0.988 443 V HN 0.573 nan 8.190 nan 0.000 0.471 444 L N 4.578 125.664 121.223 -0.228 0.000 2.334 444 L HA 0.397 4.740 4.340 0.005 0.000 0.273 444 L C 0.909 177.584 176.870 -0.324 0.000 1.013 444 L CA -0.693 53.991 54.840 -0.260 0.000 0.816 444 L CB 1.581 43.363 42.059 -0.463 0.000 1.278 444 L HN 0.474 nan 8.230 nan 0.000 0.431 445 L N 3.086 124.231 121.223 -0.131 0.000 2.083 445 L HA -0.161 4.182 4.340 0.005 0.000 0.209 445 L C 2.126 178.984 176.870 -0.020 0.000 1.083 445 L CA 1.848 56.662 54.840 -0.043 0.000 0.752 445 L CB -0.591 41.500 42.059 0.053 0.000 0.899 445 L HN 0.792 nan 8.230 nan 0.000 0.433 446 W N -0.880 120.457 121.300 0.062 0.000 2.468 446 W HA -0.161 4.502 4.660 0.004 0.000 0.262 446 W C 1.404 177.954 176.519 0.051 0.000 1.241 446 W CA 0.440 57.821 57.345 0.060 0.000 1.232 446 W CB -1.164 28.334 29.460 0.062 0.000 1.124 446 W HN 0.340 nan 8.180 nan 0.000 0.597 447 Q N 0.984 120.496 119.800 -0.479 0.000 2.515 447 Q HA -0.080 4.263 4.340 0.005 0.000 0.212 447 Q C -0.282 175.637 176.000 -0.135 0.000 0.970 447 Q CA 0.771 56.331 55.803 -0.406 0.000 0.941 447 Q CB -0.449 27.895 28.738 -0.655 0.000 0.998 447 Q HN 0.093 nan 8.270 nan 0.000 0.518 448 D N 0.872 121.238 120.400 -0.056 0.000 2.737 448 D HA -0.122 4.521 4.640 0.005 0.000 0.238 448 D C -2.454 173.814 176.300 -0.053 0.000 1.157 448 D CA 0.492 54.485 54.000 -0.013 0.000 0.694 448 D CB -0.739 40.083 40.800 0.036 0.000 1.021 448 D HN 0.295 nan 8.370 nan 0.000 0.420 449 P HA 0.181 nan 4.420 nan 0.000 0.272 449 P C 0.151 177.414 177.300 -0.062 0.000 1.223 449 P CA -0.409 62.630 63.100 -0.102 0.000 0.784 449 P CB 0.933 32.562 31.700 -0.118 0.000 0.923 450 I N 2.605 123.137 120.570 -0.063 0.000 2.406 450 I HA 0.312 4.485 4.170 0.005 0.000 0.290 450 I C -2.069 174.020 176.117 -0.047 0.000 0.999 450 I CA -2.835 58.440 61.300 -0.042 0.000 1.124 450 I CB 0.563 38.543 38.000 -0.033 0.000 1.289 450 I HN 0.173 nan 8.210 nan 0.000 0.441 451 P HA 0.200 nan 4.420 nan 0.000 0.269 451 P C -0.202 177.076 177.300 -0.036 0.000 1.215 451 P CA -0.259 62.823 63.100 -0.031 0.000 0.780 451 P CB 0.592 32.285 31.700 -0.011 0.000 0.898 452 A N 2.047 124.842 122.820 -0.042 0.000 2.425 452 A HA 0.298 4.621 4.320 0.005 0.000 0.242 452 A C -0.094 177.454 177.584 -0.060 0.000 1.077 452 A CA -0.335 51.670 52.037 -0.053 0.000 0.781 452 A CB 0.055 19.024 19.000 -0.052 0.000 1.020 452 A HN 0.381 nan 8.150 nan 0.000 0.494 453 V N 2.323 122.175 119.914 -0.103 0.000 2.432 453 V HA 0.298 4.421 4.120 0.005 0.000 0.275 453 V C -0.257 175.718 176.094 -0.199 0.000 1.043 453 V CA 0.090 62.271 62.300 -0.198 0.000 0.925 453 V CB 1.279 32.930 31.823 -0.286 0.000 0.985 453 V HN 0.987 nan 8.190 nan 0.000 0.466 454 D N 2.168 122.463 120.400 -0.175 0.000 2.720 454 D HA 0.202 4.845 4.640 0.005 0.000 0.285 454 D C -0.141 176.160 176.300 0.001 0.000 1.359 454 D CA -0.309 53.649 54.000 -0.070 0.000 0.818 454 D CB -0.037 40.764 40.800 0.002 0.000 1.108 454 D HN 0.777 nan 8.370 nan 0.000 0.474 455 H N -3.184 115.891 119.070 0.008 0.000 2.985 455 H HA 0.748 5.307 4.556 0.005 0.000 0.360 455 H C -3.042 172.298 175.328 0.020 0.000 1.221 455 H CA -2.132 53.925 56.048 0.015 0.000 1.121 455 H CB -0.044 29.731 29.762 0.023 0.000 1.854 455 H HN -0.329 nan 8.280 nan 0.000 0.551 456 P HA 0.055 nan 4.420 nan 0.000 0.266 456 P C -0.345 177.115 177.300 0.266 0.000 1.195 456 P CA -0.007 63.185 63.100 0.154 0.000 0.768 456 P CB 0.609 32.386 31.700 0.128 0.000 0.838 457 L N 2.692 124.002 121.223 0.146 0.000 2.416 457 L HA 0.430 4.773 4.340 0.005 0.000 0.262 457 L C 1.074 178.045 176.870 0.168 0.000 1.093 457 L CA -1.285 53.654 54.840 0.166 0.000 0.801 457 L CB 0.273 42.375 42.059 0.072 0.000 1.191 457 L HN 0.351 nan 8.230 nan 0.000 0.459 458 I N -1.149 119.531 120.570 0.184 0.000 2.813 458 I HA 0.120 4.293 4.170 0.005 0.000 0.287 458 I C -0.231 175.969 176.117 0.139 0.000 1.196 458 I CA -0.523 60.882 61.300 0.174 0.000 1.421 458 I CB 0.268 38.338 38.000 0.116 0.000 1.365 458 I HN 0.591 nan 8.210 nan 0.000 0.591 459 D N 4.252 124.730 120.400 0.130 0.000 2.595 459 D HA 0.511 5.154 4.640 0.005 0.000 0.268 459 D C 0.887 177.247 176.300 0.099 0.000 1.181 459 D CA -0.326 53.735 54.000 0.101 0.000 1.085 459 D CB 0.812 41.661 40.800 0.083 0.000 1.186 459 D HN 0.568 nan 8.370 nan 0.000 0.621 460 A N -0.479 122.390 122.820 0.081 0.000 1.969 460 A HA 0.137 4.460 4.320 0.005 0.000 0.218 460 A C 2.108 179.730 177.584 0.062 0.000 1.169 460 A CA 2.102 54.184 52.037 0.075 0.000 0.635 460 A CB -1.340 17.696 19.000 0.060 0.000 0.810 460 A HN 0.634 nan 8.150 nan 0.000 0.445 461 A N 0.147 123.006 122.820 0.065 0.000 1.930 461 A HA -0.154 4.169 4.320 0.005 0.000 0.217 461 A C 1.738 179.369 177.584 0.079 0.000 1.175 461 A CA 1.741 53.816 52.037 0.063 0.000 0.627 461 A CB -0.443 18.596 19.000 0.065 0.000 0.815 461 A HN 0.470 nan 8.150 nan 0.000 0.443 462 D N 0.237 120.703 120.400 0.109 0.000 2.117 462 D HA -0.031 4.612 4.640 0.005 0.000 0.198 462 D C 2.249 178.541 176.300 -0.014 0.000 0.982 462 D CA 1.464 55.552 54.000 0.147 0.000 0.828 462 D CB -0.497 40.439 40.800 0.227 0.000 0.967 462 D HN 0.413 nan 8.370 nan 0.000 0.464 463 A N 1.248 124.056 122.820 -0.019 0.000 1.933 463 A HA -0.072 4.251 4.320 0.005 0.000 0.218 463 A C 2.322 179.850 177.584 -0.093 0.000 1.175 463 A CA 2.223 54.198 52.037 -0.103 0.000 0.628 463 A CB -0.626 18.354 19.000 -0.034 0.000 0.814 463 A HN 0.244 nan 8.150 nan 0.000 0.444 464 A N -0.371 122.434 122.820 -0.025 0.000 1.930 464 A HA -0.145 4.178 4.320 0.005 0.000 0.217 464 A C 2.035 179.607 177.584 -0.019 0.000 1.175 464 A CA 1.719 53.745 52.037 -0.019 0.000 0.627 464 A CB -0.502 18.503 19.000 0.010 0.000 0.815 464 A HN 0.693 nan 8.150 nan 0.000 0.443 465 E N -0.037 120.167 120.200 0.006 0.000 2.077 465 E HA -0.169 4.184 4.350 0.005 0.000 0.193 465 E C 1.892 178.484 176.600 -0.012 0.000 0.989 465 E CA 1.148 57.566 56.400 0.030 0.000 0.800 465 E CB -0.232 29.534 29.700 0.109 0.000 0.746 465 E HN 0.606 nan 8.360 nan 0.000 0.452 466 L N 0.649 121.812 121.223 -0.100 0.000 2.046 466 L HA -0.172 4.171 4.340 0.005 0.000 0.208 466 L C 2.661 179.453 176.870 -0.131 0.000 1.077 466 L CA 1.327 56.063 54.840 -0.173 0.000 0.747 466 L CB -0.284 41.566 42.059 -0.347 0.000 0.896 466 L HN 0.062 nan 8.230 nan 0.000 0.432 467 K N -0.102 120.220 120.400 -0.129 0.000 2.097 467 K HA -0.156 4.167 4.320 0.005 0.000 0.206 467 K C 2.199 178.764 176.600 -0.058 0.000 1.049 467 K CA 1.366 57.593 56.287 -0.101 0.000 0.933 467 K CB -0.229 32.215 32.500 -0.093 0.000 0.717 467 K HN 0.308 nan 8.250 nan 0.000 0.442 468 A N 1.759 124.556 122.820 -0.039 0.000 1.929 468 A HA -0.135 4.188 4.320 0.005 0.000 0.216 468 A C 1.882 179.457 177.584 -0.015 0.000 1.176 468 A CA 1.190 53.216 52.037 -0.019 0.000 0.628 468 A CB -0.139 18.857 19.000 -0.005 0.000 0.816 468 A HN 0.089 nan 8.150 nan 0.000 0.444 469 K N -0.095 120.296 120.400 -0.014 0.000 2.026 469 K HA -0.099 4.224 4.320 0.005 0.000 0.208 469 K C 2.012 178.602 176.600 -0.016 0.000 1.048 469 K CA 1.419 57.702 56.287 -0.006 0.000 0.929 469 K CB -0.785 31.718 32.500 0.006 0.000 0.713 469 K HN 0.339 nan 8.250 nan 0.000 0.439 470 V N 2.312 122.205 119.914 -0.035 0.000 2.252 470 V HA -0.264 3.859 4.120 0.005 0.000 0.249 470 V C 2.470 178.551 176.094 -0.022 0.000 1.056 470 V CA 1.744 64.024 62.300 -0.033 0.000 1.022 470 V CB -0.505 31.286 31.823 -0.052 0.000 0.641 470 V HN 0.252 nan 8.190 nan 0.000 0.445 471 L N -0.071 121.138 121.223 -0.023 0.000 2.141 471 L HA -0.098 4.245 4.340 0.005 0.000 0.209 471 L C 2.499 179.363 176.870 -0.010 0.000 1.094 471 L CA 1.355 56.185 54.840 -0.017 0.000 0.763 471 L CB -0.672 41.375 42.059 -0.019 0.000 0.908 471 L HN 0.379 nan 8.230 nan 0.000 0.437 472 A N -0.321 122.495 122.820 -0.008 0.000 2.206 472 A HA -0.084 4.240 4.320 0.005 0.000 0.211 472 A C 2.376 179.960 177.584 -0.001 0.000 1.158 472 A CA 1.106 53.142 52.037 -0.003 0.000 0.761 472 A CB -0.360 18.641 19.000 0.001 0.000 0.801 472 A HN 0.483 nan 8.150 nan 0.000 0.473 473 S N -1.909 113.790 115.700 -0.002 0.000 2.522 473 S HA 0.320 4.793 4.470 0.005 0.000 0.227 473 S C 1.540 176.141 174.600 0.001 0.000 0.986 473 S CA 1.192 59.392 58.200 0.000 0.000 0.929 473 S CB -0.252 62.947 63.200 -0.001 0.000 0.769 473 S HN 1.773 nan 8.310 nan 0.000 0.529 474 G N 0.641 109.441 108.800 -0.000 0.000 2.194 474 G HA2 -0.210 3.753 3.960 0.005 0.000 0.236 474 G HA3 -0.210 3.753 3.960 0.005 0.000 0.236 474 G C -0.021 174.880 174.900 0.001 0.000 0.987 474 G CA 0.013 45.114 45.100 0.001 0.000 0.635 474 G HN 0.523 nan 8.290 nan 0.000 0.520 475 L N 2.441 123.665 121.223 0.001 0.000 2.490 475 L HA 0.394 4.737 4.340 0.005 0.000 0.274 475 L C 1.658 178.528 176.870 0.000 0.000 1.201 475 L CA 0.650 55.492 54.840 0.003 0.000 0.869 475 L CB 0.554 42.615 42.059 0.004 0.000 1.123 475 L HN 0.462 nan 8.230 nan 0.000 0.484 476 T N -0.574 113.981 114.554 0.002 0.000 2.847 476 T HA 0.243 4.596 4.350 0.005 0.000 0.279 476 T C 1.312 176.007 174.700 -0.009 0.000 0.984 476 T CA -0.978 61.120 62.100 -0.003 0.000 0.988 476 T CB 1.540 70.408 68.868 -0.001 0.000 1.040 476 T HN 0.237 nan 8.240 nan 0.000 0.528 477 V N 1.331 121.232 119.914 -0.022 0.000 2.252 477 V HA -0.206 3.917 4.120 0.005 0.000 0.249 477 V C 3.054 179.130 176.094 -0.030 0.000 1.056 477 V CA 2.611 64.886 62.300 -0.040 0.000 1.022 477 V CB -1.174 30.612 31.823 -0.061 0.000 0.641 477 V HN 1.118 nan 8.190 nan 0.000 0.445 478 S N -1.183 114.505 115.700 -0.020 0.000 2.383 478 S HA -0.287 4.186 4.470 0.005 0.000 0.229 478 S C 2.012 176.628 174.600 0.025 0.000 1.030 478 S CA 2.075 60.272 58.200 -0.005 0.000 1.002 478 S CB -0.238 62.960 63.200 -0.003 0.000 0.829 478 S HN 0.719 nan 8.310 nan 0.000 0.467 479 Q N 0.055 119.870 119.800 0.026 0.000 2.119 479 Q HA 0.036 4.379 4.340 0.005 0.000 0.201 479 Q C 2.296 178.334 176.000 0.064 0.000 0.972 479 Q CA 1.435 57.263 55.803 0.043 0.000 0.847 479 Q CB -0.217 28.539 28.738 0.030 0.000 0.903 479 Q HN 0.527 nan 8.270 nan 0.000 0.433 480 L N -0.402 120.851 121.223 0.050 0.000 2.044 480 L HA -0.147 4.197 4.340 0.005 0.000 0.205 480 L C 2.312 179.265 176.870 0.138 0.000 1.075 480 L CA 0.695 55.578 54.840 0.072 0.000 0.747 480 L CB -0.377 41.701 42.059 0.033 0.000 0.903 480 L HN 0.077 nan 8.230 nan 0.000 0.435 481 V N -0.970 119.005 119.914 0.102 0.000 2.307 481 V HA -0.235 3.888 4.120 0.005 0.000 0.245 481 V C 2.575 178.877 176.094 0.346 0.000 1.045 481 V CA 1.927 64.334 62.300 0.177 0.000 1.024 481 V CB -0.291 31.510 31.823 -0.037 0.000 0.651 481 V HN 0.354 nan 8.190 nan 0.000 0.449 482 S N -0.129 115.701 115.700 0.217 0.000 2.383 482 S HA -0.210 4.263 4.470 0.005 0.000 0.229 482 S C 2.062 176.827 174.600 0.274 0.000 1.030 482 S CA 2.031 60.382 58.200 0.251 0.000 1.002 482 S CB -0.408 62.880 63.200 0.147 0.000 0.829 482 S HN 0.702 nan 8.310 nan 0.000 0.467 483 T N 2.121 116.797 114.554 0.204 0.000 2.812 483 T HA 0.054 4.407 4.350 0.005 0.000 0.264 483 T C 2.159 176.958 174.700 0.164 0.000 1.042 483 T CA 1.129 63.321 62.100 0.152 0.000 1.140 483 T CB -0.421 68.508 68.868 0.102 0.000 0.870 483 T HN 0.455 nan 8.240 nan 0.000 0.445 484 A N 1.138 124.104 122.820 0.243 0.000 1.930 484 A HA -0.056 4.267 4.320 0.005 0.000 0.217 484 A C 2.132 179.792 177.584 0.127 0.000 1.175 484 A CA 0.952 53.107 52.037 0.197 0.000 0.627 484 A CB -0.982 18.242 19.000 0.373 0.000 0.815 484 A HN 0.747 nan 8.150 nan 0.000 0.443 485 W N 0.915 122.299 121.300 0.140 0.000 2.358 485 W HA -0.185 4.477 4.660 0.004 0.000 0.303 485 W C 2.185 178.717 176.519 0.021 0.000 1.208 485 W CA 1.901 59.270 57.345 0.040 0.000 1.274 485 W CB -0.297 29.282 29.460 0.198 0.000 1.138 485 W HN 0.418 nan 8.180 nan 0.000 0.515 486 A N 1.153 124.024 122.820 0.086 0.000 1.908 486 A HA -0.127 4.196 4.320 0.005 0.000 0.218 486 A C 2.178 179.699 177.584 -0.104 0.000 1.181 486 A CA 2.818 54.852 52.037 -0.005 0.000 0.627 486 A CB -1.331 17.733 19.000 0.107 0.000 0.818 486 A HN 0.342 nan 8.150 nan 0.000 0.445 487 A N -0.465 122.300 122.820 -0.091 0.000 1.877 487 A HA 0.201 4.524 4.320 0.005 0.000 0.216 487 A C 2.452 179.932 177.584 -0.173 0.000 1.186 487 A CA 2.145 54.120 52.037 -0.102 0.000 0.620 487 A CB -0.855 18.106 19.000 -0.066 0.000 0.822 487 A HN 1.057 nan 8.150 nan 0.000 0.443 488 A N -0.275 122.366 122.820 -0.298 0.000 1.984 488 A HA 0.110 4.433 4.320 0.005 0.000 0.214 488 A C 2.243 179.564 177.584 -0.439 0.000 1.173 488 A CA 1.566 53.386 52.037 -0.361 0.000 0.673 488 A CB -0.599 18.117 19.000 -0.473 0.000 0.830 488 A HN 0.939 nan 8.150 nan 0.000 0.453 489 S N 0.020 115.297 115.700 -0.706 0.000 2.603 489 S HA -0.063 4.410 4.470 0.005 0.000 0.220 489 S C 1.519 175.915 174.600 -0.339 0.000 0.967 489 S CA 1.151 58.852 58.200 -0.831 0.000 0.920 489 S CB -1.056 61.052 63.200 -1.819 0.000 0.773 489 S HN 0.658 nan 8.310 nan 0.000 0.529 490 T N -1.237 113.221 114.554 -0.160 0.000 3.072 490 T HA 0.118 4.471 4.350 0.005 0.000 0.266 490 T C 0.324 175.040 174.700 0.026 0.000 1.127 490 T CA -0.245 61.855 62.100 0.001 0.000 1.107 490 T CB -0.859 68.076 68.868 0.111 0.000 0.910 490 T HN 0.400 nan 8.240 nan 0.000 0.513 491 F N 4.213 124.089 119.950 -0.123 0.000 2.563 491 F HA 0.332 4.861 4.527 0.004 0.000 0.363 491 F C 0.665 176.437 175.800 -0.046 0.000 1.123 491 F CA -1.005 56.952 58.000 -0.071 0.000 1.307 491 F CB 0.594 39.528 39.000 -0.111 0.000 1.115 491 F HN 0.170 nan 8.300 nan 0.000 0.592 492 R N 3.991 123.978 120.500 -0.855 0.000 2.574 492 R HA 0.479 4.822 4.340 0.005 0.000 0.288 492 R C 0.247 176.032 176.300 -0.858 0.000 1.004 492 R CA -0.520 55.254 56.100 -0.544 0.000 0.895 492 R CB 1.179 31.317 30.300 -0.271 0.000 1.191 492 R HN 0.759 nan 8.270 nan 0.000 0.444 493 G N 1.036 109.634 108.800 -0.336 0.000 2.679 493 G HA2 -0.215 3.748 3.960 0.005 0.000 0.212 493 G HA3 -0.215 3.748 3.960 0.005 0.000 0.212 493 G C 1.188 176.042 174.900 -0.076 0.000 1.137 493 G CA 0.603 45.657 45.100 -0.078 0.000 0.787 493 G HN 0.742 nan 8.290 nan 0.000 0.534 494 S N 1.633 117.268 115.700 -0.109 0.000 2.359 494 S HA -0.172 4.301 4.470 0.005 0.000 0.224 494 S C 1.658 176.236 174.600 -0.037 0.000 1.035 494 S CA 1.775 59.937 58.200 -0.065 0.000 1.018 494 S CB -0.180 62.976 63.200 -0.074 0.000 0.876 494 S HN 0.472 nan 8.310 nan 0.000 0.448 495 D N -0.346 120.020 120.400 -0.057 0.000 2.503 495 D HA 0.192 4.835 4.640 0.005 0.000 0.218 495 D C 0.117 176.371 176.300 -0.077 0.000 1.183 495 D CA -0.232 53.767 54.000 -0.003 0.000 0.827 495 D CB -0.508 40.408 40.800 0.194 0.000 1.034 495 D HN 0.446 nan 8.370 nan 0.000 0.510 496 K N 0.026 120.303 120.400 -0.205 0.000 3.088 496 K HA -0.218 4.105 4.320 0.005 0.000 0.273 496 K C -0.115 176.408 176.600 -0.130 0.000 1.111 496 K CA 0.594 56.759 56.287 -0.202 0.000 0.803 496 K CB -1.221 31.291 32.500 0.020 0.000 1.226 496 K HN 0.313 nan 8.250 nan 0.000 0.485 497 R N 0.114 120.493 120.500 -0.201 0.000 2.549 497 R HA 0.559 4.902 4.340 0.005 0.000 0.267 497 R C 0.997 177.245 176.300 -0.087 0.000 1.045 497 R CA 0.175 56.242 56.100 -0.055 0.000 1.115 497 R CB 1.187 31.490 30.300 0.006 0.000 1.121 497 R HN 0.320 nan 8.270 nan 0.000 0.543 498 G N -0.277 108.563 108.800 0.068 0.000 2.660 498 G HA2 0.189 4.152 3.960 0.005 0.000 0.215 498 G HA3 0.189 4.152 3.960 0.005 0.000 0.215 498 G C -0.005 175.031 174.900 0.227 0.000 1.345 498 G CA -0.406 44.759 45.100 0.109 0.000 0.877 498 G HN 1.174 nan 8.290 nan 0.000 0.549 499 G N -2.764 106.134 108.800 0.164 0.000 2.661 499 G HA2 0.456 4.419 3.960 0.005 0.000 0.685 499 G HA3 0.456 4.419 3.960 0.005 0.000 0.685 499 G C 0.953 175.846 174.900 -0.012 0.000 1.298 499 G CA 1.031 46.182 45.100 0.085 0.000 0.855 499 G HN 2.463 nan 8.290 nan 0.000 0.560 500 A N -0.165 122.605 122.820 -0.084 0.000 2.123 500 A HA 0.297 4.620 4.320 0.005 0.000 0.214 500 A C 1.286 178.842 177.584 -0.048 0.000 1.152 500 A CA 1.526 53.516 52.037 -0.079 0.000 0.728 500 A CB -0.277 18.657 19.000 -0.109 0.000 0.814 500 A HN 1.150 nan 8.150 nan 0.000 0.464 501 N N -0.156 118.519 118.700 -0.042 0.000 2.492 501 N HA 0.324 5.067 4.740 0.005 0.000 0.260 501 N C 1.142 176.645 175.510 -0.011 0.000 1.215 501 N CA 1.545 54.579 53.050 -0.027 0.000 0.923 501 N CB 0.636 39.109 38.487 -0.023 0.000 1.092 501 N HN 0.576 nan 8.380 nan 0.000 0.448 502 G N 2.095 110.888 108.800 -0.011 0.000 2.234 502 G HA2 -0.149 3.814 3.960 0.005 0.000 0.235 502 G HA3 -0.149 3.814 3.960 0.005 0.000 0.235 502 G C 0.438 175.328 174.900 -0.018 0.000 0.997 502 G CA 0.424 45.517 45.100 -0.012 0.000 0.623 502 G HN 1.662 nan 8.290 nan 0.000 0.514 503 A N -0.631 122.177 122.820 -0.021 0.000 2.704 503 A HA -0.258 4.065 4.320 0.005 0.000 0.299 503 A C 1.500 179.056 177.584 -0.047 0.000 1.507 503 A CA 2.242 54.262 52.037 -0.028 0.000 0.776 503 A CB -1.642 17.349 19.000 -0.016 0.000 1.027 503 A HN 1.038 nan 8.150 nan 0.000 0.475 504 R N -0.710 119.755 120.500 -0.058 0.000 2.307 504 R HA 0.127 4.470 4.340 0.005 0.000 0.199 504 R C 1.890 178.104 176.300 -0.143 0.000 1.000 504 R CA 0.988 57.035 56.100 -0.088 0.000 1.023 504 R CB -0.199 30.053 30.300 -0.080 0.000 0.908 504 R HN 0.832 nan 8.270 nan 0.000 0.473 505 I N 2.057 122.552 120.570 -0.125 0.000 2.567 505 I HA -0.255 3.918 4.170 0.005 0.000 0.257 505 I C 2.264 178.301 176.117 -0.134 0.000 1.184 505 I CA 1.203 62.412 61.300 -0.152 0.000 1.451 505 I CB 0.018 37.966 38.000 -0.088 0.000 1.089 505 I HN 0.113 nan 8.210 nan 0.000 0.441 506 R N 0.350 120.792 120.500 -0.096 0.000 2.297 506 R HA 0.135 4.478 4.340 0.005 0.000 0.197 506 R C 0.334 176.582 176.300 -0.086 0.000 0.943 506 R CA 0.046 56.100 56.100 -0.076 0.000 1.038 506 R CB -0.157 30.115 30.300 -0.047 0.000 0.957 506 R HN 0.298 nan 8.270 nan 0.000 0.484 507 L N 0.726 121.880 121.223 -0.115 0.000 2.376 507 L HA 0.571 4.914 4.340 0.005 0.000 0.267 507 L C 0.276 177.056 176.870 -0.150 0.000 1.035 507 L CA -1.355 53.421 54.840 -0.106 0.000 0.800 507 L CB 1.243 43.248 42.059 -0.091 0.000 1.290 507 L HN 0.031 nan 8.230 nan 0.000 0.462 508 A N 1.214 123.966 122.820 -0.113 0.000 2.407 508 A HA 0.385 4.708 4.320 0.005 0.000 0.248 508 A C -1.862 175.631 177.584 -0.152 0.000 1.082 508 A CA -0.900 51.060 52.037 -0.128 0.000 0.785 508 A CB -0.074 18.892 19.000 -0.056 0.000 1.020 508 A HN 0.591 nan 8.150 nan 0.000 0.489 509 P HA 0.028 nan 4.420 nan 0.000 0.257 509 P C 0.755 177.560 177.300 -0.825 0.000 1.241 509 P CA 0.405 63.339 63.100 -0.277 0.000 0.816 509 P CB 0.393 32.090 31.700 -0.006 0.000 1.150 510 Q N 1.377 120.543 119.800 -1.057 0.000 2.135 510 Q HA -0.171 4.172 4.340 0.005 0.000 0.204 510 Q C 2.108 177.674 176.000 -0.723 0.000 0.981 510 Q CA 1.706 56.580 55.803 -1.548 0.000 0.856 510 Q CB -0.464 27.694 28.738 -0.968 0.000 0.902 510 Q HN 0.457 nan 8.270 nan 0.000 0.425 511 K N 0.259 120.413 120.400 -0.410 0.000 2.360 511 K HA -0.147 4.176 4.320 0.005 0.000 0.201 511 K C 0.492 177.021 176.600 -0.117 0.000 1.046 511 K CA 1.570 57.739 56.287 -0.197 0.000 0.945 511 K CB 0.192 32.614 32.500 -0.129 0.000 0.750 511 K HN 0.119 nan 8.250 nan 0.000 0.464 512 D N -0.437 119.881 120.400 -0.137 0.000 2.398 512 D HA 0.021 4.664 4.640 0.005 0.000 0.210 512 D C -0.303 176.093 176.300 0.161 0.000 1.094 512 D CA -0.141 53.867 54.000 0.013 0.000 0.839 512 D CB 0.122 40.939 40.800 0.028 0.000 0.963 512 D HN 0.149 nan 8.370 nan 0.000 0.506 513 W N 2.592 123.900 121.300 0.014 0.000 2.210 513 W HA 0.088 4.755 4.660 0.012 0.000 0.330 513 W C 1.827 178.344 176.519 -0.005 0.000 1.334 513 W CA -0.878 56.474 57.345 0.013 0.000 1.227 513 W CB 0.360 29.820 29.460 0.000 0.000 1.178 513 W HN 0.091 nan 8.180 nan 0.000 0.560 514 E N 2.585 122.922 120.200 0.228 0.000 2.085 514 E HA -0.235 4.118 4.350 0.005 0.000 0.194 514 E C 2.010 178.581 176.600 -0.048 0.000 0.994 514 E CA 1.998 58.473 56.400 0.125 0.000 0.801 514 E CB 0.082 29.903 29.700 0.202 0.000 0.743 514 E HN 0.480 nan 8.360 nan 0.000 0.453 515 A N 0.925 123.579 122.820 -0.276 0.000 2.024 515 A HA -0.176 4.147 4.320 0.005 0.000 0.220 515 A C 1.733 179.214 177.584 -0.172 0.000 1.164 515 A CA 1.542 53.184 52.037 -0.659 0.000 0.643 515 A CB -0.429 18.178 19.000 -0.654 0.000 0.806 515 A HN 0.266 nan 8.150 nan 0.000 0.451 516 N N -0.217 118.499 118.700 0.026 0.000 2.398 516 N HA 0.036 4.779 4.740 0.005 0.000 0.188 516 N C -0.461 175.083 175.510 0.057 0.000 1.122 516 N CA 0.392 53.492 53.050 0.083 0.000 0.866 516 N CB -0.146 38.420 38.487 0.133 0.000 0.970 516 N HN 0.561 nan 8.380 nan 0.000 0.462 517 Q N -1.147 118.677 119.800 0.041 0.000 2.457 517 Q HA -0.147 4.196 4.340 0.005 0.000 0.333 517 Q C -1.857 174.170 176.000 0.046 0.000 1.448 517 Q CA -0.204 55.626 55.803 0.045 0.000 0.891 517 Q CB -1.161 27.605 28.738 0.045 0.000 1.142 517 Q HN 0.272 nan 8.270 nan 0.000 0.375 518 P HA -0.257 nan 4.420 nan 0.000 0.218 518 P C 1.076 178.393 177.300 0.028 0.000 1.154 518 P CA 1.420 64.542 63.100 0.036 0.000 0.872 518 P CB 0.158 31.884 31.700 0.043 0.000 0.790 519 E N -0.547 119.673 120.200 0.033 0.000 2.072 519 E HA -0.205 4.148 4.350 0.005 0.000 0.190 519 E C 2.145 178.760 176.600 0.025 0.000 0.982 519 E CA 0.900 57.316 56.400 0.027 0.000 0.803 519 E CB -0.586 29.132 29.700 0.029 0.000 0.755 519 E HN 0.458 nan 8.360 nan 0.000 0.453 520 Q N 0.933 120.751 119.800 0.030 0.000 2.050 520 Q HA -0.178 4.165 4.340 0.005 0.000 0.202 520 Q C 2.372 178.390 176.000 0.029 0.000 0.980 520 Q CA 1.054 56.875 55.803 0.031 0.000 0.840 520 Q CB -0.129 28.631 28.738 0.037 0.000 0.898 520 Q HN 0.177 nan 8.270 nan 0.000 0.424 521 L N 0.953 122.194 121.223 0.030 0.000 2.013 521 L HA -0.167 4.176 4.340 0.005 0.000 0.212 521 L C 2.323 179.201 176.870 0.014 0.000 1.073 521 L CA 2.415 57.270 54.840 0.024 0.000 0.753 521 L CB -0.974 41.096 42.059 0.018 0.000 0.890 521 L HN 0.310 nan 8.230 nan 0.000 0.432 522 A N -0.556 122.270 122.820 0.010 0.000 1.908 522 A HA -0.158 4.165 4.320 0.005 0.000 0.218 522 A C 2.465 180.053 177.584 0.008 0.000 1.181 522 A CA 2.092 54.132 52.037 0.005 0.000 0.627 522 A CB -1.276 17.727 19.000 0.006 0.000 0.818 522 A HN 0.620 nan 8.150 nan 0.000 0.445 523 A N -0.687 122.141 122.820 0.012 0.000 1.902 523 A HA -0.020 4.303 4.320 0.005 0.000 0.217 523 A C 2.246 179.837 177.584 0.012 0.000 1.181 523 A CA 1.903 53.948 52.037 0.012 0.000 0.623 523 A CB -0.920 18.089 19.000 0.015 0.000 0.818 523 A HN 0.416 nan 8.150 nan 0.000 0.443 524 V N 0.182 120.106 119.914 0.016 0.000 2.358 524 V HA -0.217 3.906 4.120 0.005 0.000 0.246 524 V C 2.534 178.635 176.094 0.011 0.000 1.047 524 V CA 1.793 64.103 62.300 0.016 0.000 1.035 524 V CB -0.745 31.093 31.823 0.026 0.000 0.658 524 V HN 0.565 nan 8.190 nan 0.000 0.452 525 L N -0.057 121.170 121.223 0.008 0.000 2.083 525 L HA -0.203 4.140 4.340 0.005 0.000 0.209 525 L C 2.548 179.419 176.870 0.001 0.000 1.083 525 L CA 1.965 56.806 54.840 0.002 0.000 0.752 525 L CB -0.613 41.443 42.059 -0.004 0.000 0.899 525 L HN 0.442 nan 8.230 nan 0.000 0.433 526 E N 0.076 120.277 120.200 0.003 0.000 2.077 526 E HA -0.195 4.158 4.350 0.005 0.000 0.193 526 E C 1.989 178.591 176.600 0.004 0.000 0.989 526 E CA 1.823 58.225 56.400 0.003 0.000 0.800 526 E CB 0.109 29.812 29.700 0.005 0.000 0.746 526 E HN 0.363 nan 8.360 nan 0.000 0.452 527 T N 1.324 115.881 114.554 0.005 0.000 2.746 527 T HA -0.107 4.246 4.350 0.005 0.000 0.267 527 T C 1.862 176.563 174.700 0.002 0.000 1.039 527 T CA 1.117 63.220 62.100 0.004 0.000 1.142 527 T CB -0.152 68.719 68.868 0.005 0.000 0.866 527 T HN 0.154 nan 8.240 nan 0.000 0.444 528 L N 0.536 121.759 121.223 -0.001 0.000 2.093 528 L HA -0.061 4.282 4.340 0.005 0.000 0.208 528 L C 2.658 179.526 176.870 -0.004 0.000 1.085 528 L CA 1.360 56.195 54.840 -0.007 0.000 0.755 528 L CB -0.534 41.519 42.059 -0.010 0.000 0.904 528 L HN 0.305 nan 8.230 nan 0.000 0.435 529 E N 0.128 120.328 120.200 0.000 0.000 2.150 529 E HA -0.171 4.182 4.350 0.005 0.000 0.193 529 E C 2.259 178.865 176.600 0.011 0.000 0.985 529 E CA 1.035 57.438 56.400 0.004 0.000 0.814 529 E CB -0.087 29.615 29.700 0.003 0.000 0.752 529 E HN 0.483 nan 8.360 nan 0.000 0.466 530 A N 0.791 123.617 122.820 0.011 0.000 1.929 530 A HA -0.106 4.217 4.320 0.005 0.000 0.216 530 A C 2.116 179.715 177.584 0.025 0.000 1.176 530 A CA 0.754 52.800 52.037 0.015 0.000 0.628 530 A CB -0.377 18.630 19.000 0.012 0.000 0.816 530 A HN 0.125 nan 8.150 nan 0.000 0.444 531 I N -0.978 119.605 120.570 0.021 0.000 2.179 531 I HA -0.251 3.922 4.170 0.005 0.000 0.242 531 I C 2.732 178.884 176.117 0.058 0.000 1.088 531 I CA 1.549 62.868 61.300 0.031 0.000 1.357 531 I CB -0.319 37.682 38.000 0.003 0.000 1.051 531 I HN 0.351 nan 8.210 nan 0.000 0.409 532 R N 0.461 120.983 120.500 0.036 0.000 2.083 532 R HA -0.176 4.167 4.340 0.005 0.000 0.237 532 R C 2.298 178.659 176.300 0.102 0.000 1.137 532 R CA 2.206 58.341 56.100 0.058 0.000 0.951 532 R CB -0.323 29.991 30.300 0.023 0.000 0.851 532 R HN 0.277 nan 8.270 nan 0.000 0.434 533 T N 0.460 115.050 114.554 0.060 0.000 2.746 533 T HA -0.109 4.244 4.350 0.005 0.000 0.267 533 T C 1.745 176.477 174.700 0.052 0.000 1.039 533 T CA 1.398 63.525 62.100 0.045 0.000 1.142 533 T CB -0.229 68.654 68.868 0.024 0.000 0.866 533 T HN 0.457 nan 8.240 nan 0.000 0.444 534 A N 0.675 123.533 122.820 0.063 0.000 1.930 534 A HA 0.032 4.355 4.320 0.005 0.000 0.217 534 A C 2.014 179.642 177.584 0.072 0.000 1.175 534 A CA 1.167 53.235 52.037 0.052 0.000 0.627 534 A CB -0.865 18.166 19.000 0.051 0.000 0.815 534 A HN 0.517 nan 8.150 nan 0.000 0.443 535 F N 1.227 121.165 119.950 -0.019 0.000 2.113 535 F HA -0.146 4.383 4.527 0.004 0.000 0.297 535 F C 1.933 177.718 175.800 -0.025 0.000 1.103 535 F CA 1.922 59.910 58.000 -0.020 0.000 1.248 535 F CB -0.136 38.852 39.000 -0.020 0.000 0.999 535 F HN 0.181 nan 8.300 nan 0.000 0.475 536 N N 0.602 119.378 118.700 0.127 0.000 2.309 536 N HA -0.070 4.673 4.740 0.005 0.000 0.182 536 N C 2.030 177.484 175.510 -0.093 0.000 1.018 536 N CA 1.179 54.237 53.050 0.013 0.000 0.876 536 N CB -1.015 37.508 38.487 0.059 0.000 0.972 536 N HN 0.474 nan 8.380 nan 0.000 0.434 537 G N 0.054 108.814 108.800 -0.066 0.000 2.443 537 G HA2 -0.076 3.887 3.960 0.005 0.000 0.219 537 G HA3 -0.076 3.887 3.960 0.005 0.000 0.219 537 G C 1.381 176.219 174.900 -0.104 0.000 1.131 537 G CA 0.815 45.876 45.100 -0.066 0.000 0.775 537 G HN 0.407 nan 8.290 nan 0.000 0.547 538 A N -0.677 122.045 122.820 -0.163 0.000 2.218 538 A HA 0.288 4.611 4.320 0.005 0.000 0.209 538 A C 1.328 178.769 177.584 -0.239 0.000 1.168 538 A CA 0.222 52.146 52.037 -0.189 0.000 0.804 538 A CB 0.027 18.904 19.000 -0.204 0.000 0.834 538 A HN 0.295 nan 8.150 nan 0.000 0.482 539 Q N 0.572 120.203 119.800 -0.282 0.000 2.312 539 Q HA 0.366 4.709 4.340 0.005 0.000 0.236 539 Q C -0.253 175.666 176.000 -0.135 0.000 0.965 539 Q CA 0.097 55.750 55.803 -0.251 0.000 0.894 539 Q CB 0.673 29.249 28.738 -0.269 0.000 1.225 539 Q HN 0.259 nan 8.270 nan 0.000 0.478 540 R N -0.716 119.723 120.500 -0.101 0.000 2.732 540 R HA 0.523 4.866 4.340 0.005 0.000 0.278 540 R C 0.520 176.798 176.300 -0.035 0.000 0.976 540 R CA -0.038 56.028 56.100 -0.058 0.000 0.963 540 R CB 1.422 31.694 30.300 -0.047 0.000 1.150 540 R HN 0.898 nan 8.270 nan 0.000 0.478 541 G N 0.005 108.793 108.800 -0.021 0.000 2.136 541 G HA2 -0.254 3.709 3.960 0.005 0.000 0.242 541 G HA3 -0.254 3.709 3.960 0.005 0.000 0.242 541 G C 0.783 175.690 174.900 0.012 0.000 0.989 541 G CA 0.658 45.758 45.100 -0.001 0.000 0.682 541 G HN 1.199 nan 8.290 nan 0.000 0.522 542 G N -0.690 108.109 108.800 -0.001 0.000 2.179 542 G HA2 -0.298 3.665 3.960 0.005 0.000 0.260 542 G HA3 -0.298 3.665 3.960 0.005 0.000 0.260 542 G C 0.456 175.360 174.900 0.007 0.000 0.977 542 G CA 1.379 46.485 45.100 0.010 0.000 0.641 542 G HN 1.467 nan 8.290 nan 0.000 0.533 543 K N 1.272 121.682 120.400 0.017 0.000 2.451 543 K HA 0.350 4.673 4.320 0.005 0.000 0.280 543 K C 0.675 177.257 176.600 -0.030 0.000 1.020 543 K CA 0.783 57.101 56.287 0.051 0.000 1.008 543 K CB 0.030 32.575 32.500 0.075 0.000 0.917 543 K HN 0.703 nan 8.250 nan 0.000 0.478 544 Q N 1.175 120.911 119.800 -0.108 0.000 2.534 544 Q HA 0.487 4.830 4.340 0.005 0.000 0.290 544 Q C -1.706 174.310 176.000 0.026 0.000 0.991 544 Q CA -1.179 54.570 55.803 -0.091 0.000 0.783 544 Q CB 1.779 30.324 28.738 -0.322 0.000 1.470 544 Q HN 0.328 nan 8.270 nan 0.000 0.406 545 V N 1.391 121.372 119.914 0.112 0.000 2.513 545 V HA 0.570 4.693 4.120 0.005 0.000 0.299 545 V C -0.352 175.771 176.094 0.049 0.000 1.035 545 V CA -0.121 62.219 62.300 0.067 0.000 0.889 545 V CB 1.936 33.699 31.823 -0.100 0.000 0.988 545 V HN 0.964 nan 8.190 nan 0.000 0.440 546 S N 5.650 121.403 115.700 0.089 0.000 2.632 546 S HA 0.258 4.731 4.470 0.005 0.000 0.267 546 S C 0.801 175.422 174.600 0.035 0.000 1.276 546 S CA -0.279 57.962 58.200 0.068 0.000 0.998 546 S CB 1.345 64.601 63.200 0.094 0.000 0.953 546 S HN 0.816 nan 8.310 nan 0.000 0.547 547 L N 1.697 122.933 121.223 0.022 0.000 2.141 547 L HA 0.121 4.464 4.340 0.005 0.000 0.209 547 L C 2.568 179.446 176.870 0.013 0.000 1.094 547 L CA 2.110 56.954 54.840 0.008 0.000 0.763 547 L CB -1.506 40.555 42.059 0.002 0.000 0.908 547 L HN 0.957 nan 8.230 nan 0.000 0.437 548 A N -0.824 122.009 122.820 0.022 0.000 1.883 548 A HA -0.238 4.085 4.320 0.005 0.000 0.217 548 A C 2.048 179.664 177.584 0.054 0.000 1.186 548 A CA 2.019 54.069 52.037 0.021 0.000 0.624 548 A CB -0.791 18.217 19.000 0.014 0.000 0.822 548 A HN 0.478 nan 8.150 nan 0.000 0.444 549 D N -0.765 119.688 120.400 0.089 0.000 2.144 549 D HA -0.086 4.557 4.640 0.005 0.000 0.200 549 D C 1.802 178.170 176.300 0.114 0.000 0.978 549 D CA 0.948 55.073 54.000 0.208 0.000 0.833 549 D CB -0.264 40.700 40.800 0.273 0.000 0.961 549 D HN 0.315 nan 8.370 nan 0.000 0.470 550 L N 0.641 121.866 121.223 0.004 0.000 2.093 550 L HA -0.020 4.323 4.340 0.005 0.000 0.208 550 L C 2.029 178.866 176.870 -0.056 0.000 1.085 550 L CA 1.104 55.894 54.840 -0.084 0.000 0.755 550 L CB -0.361 41.647 42.059 -0.085 0.000 0.904 550 L HN -0.009 nan 8.230 nan 0.000 0.435 551 I N -1.777 118.790 120.570 -0.005 0.000 2.179 551 I HA -0.289 3.884 4.170 0.005 0.000 0.242 551 I C 2.286 178.431 176.117 0.048 0.000 1.088 551 I CA 1.192 62.502 61.300 0.017 0.000 1.357 551 I CB -0.351 37.660 38.000 0.018 0.000 1.051 551 I HN 0.051 nan 8.210 nan 0.000 0.409 552 V N 0.565 120.522 119.914 0.072 0.000 2.358 552 V HA -0.255 3.868 4.120 0.005 0.000 0.246 552 V C 2.344 178.500 176.094 0.103 0.000 1.047 552 V CA 1.593 63.973 62.300 0.135 0.000 1.035 552 V CB -0.484 31.466 31.823 0.211 0.000 0.658 552 V HN 0.367 nan 8.190 nan 0.000 0.452 553 L N 0.828 121.959 121.223 -0.153 0.000 2.093 553 L HA -0.036 4.307 4.340 0.005 0.000 0.208 553 L C 2.410 179.158 176.870 -0.203 0.000 1.085 553 L CA 2.211 56.746 54.840 -0.507 0.000 0.755 553 L CB -0.812 40.672 42.059 -0.958 0.000 0.904 553 L HN 0.211 nan 8.230 nan 0.000 0.435 554 A N -0.480 122.276 122.820 -0.107 0.000 1.902 554 A HA -0.058 4.265 4.320 0.005 0.000 0.217 554 A C 2.346 179.956 177.584 0.044 0.000 1.181 554 A CA 1.452 53.467 52.037 -0.037 0.000 0.623 554 A CB -1.563 17.424 19.000 -0.022 0.000 0.818 554 A HN 0.515 nan 8.150 nan 0.000 0.443 555 G N -0.833 108.054 108.800 0.145 0.000 2.446 555 G HA2 -0.285 3.678 3.960 0.005 0.000 0.217 555 G HA3 -0.285 3.678 3.960 0.005 0.000 0.217 555 G C 1.590 176.650 174.900 0.267 0.000 1.168 555 G CA 1.348 46.644 45.100 0.327 0.000 0.771 555 G HN 0.521 nan 8.290 nan 0.000 0.551 556 C N 0.838 120.310 119.300 0.285 0.000 2.440 556 C HA 0.215 4.678 4.460 0.005 0.000 0.278 556 C C 3.534 178.536 174.990 0.021 0.000 1.295 556 C CA 0.731 59.871 59.018 0.202 0.000 1.738 556 C CB -0.920 26.933 27.740 0.189 0.000 1.987 556 C HN 0.573 nan 8.230 nan 0.000 0.492 557 A N 0.883 123.696 122.820 -0.012 0.000 1.933 557 A HA 0.074 4.397 4.320 0.005 0.000 0.218 557 A C 2.406 179.961 177.584 -0.049 0.000 1.175 557 A CA 2.012 54.026 52.037 -0.039 0.000 0.628 557 A CB -1.226 17.743 19.000 -0.052 0.000 0.814 557 A HN 0.538 nan 8.150 nan 0.000 0.444 558 G N -0.457 108.314 108.800 -0.048 0.000 2.440 558 G HA2 -0.167 3.796 3.960 0.005 0.000 0.218 558 G HA3 -0.167 3.796 3.960 0.005 0.000 0.218 558 G C 1.517 176.329 174.900 -0.146 0.000 1.154 558 G CA 1.364 46.415 45.100 -0.081 0.000 0.767 558 G HN 0.327 nan 8.290 nan 0.000 0.552 559 V N 0.683 120.465 119.914 -0.221 0.000 2.358 559 V HA -0.145 3.978 4.120 0.005 0.000 0.246 559 V C 2.681 178.685 176.094 -0.150 0.000 1.047 559 V CA 2.169 64.297 62.300 -0.286 0.000 1.035 559 V CB -0.502 31.050 31.823 -0.452 0.000 0.658 559 V HN 0.479 nan 8.190 nan 0.000 0.452 560 E N -0.145 120.000 120.200 -0.091 0.000 2.085 560 E HA -0.327 4.026 4.350 0.005 0.000 0.194 560 E C 2.232 178.809 176.600 -0.039 0.000 0.994 560 E CA 1.571 57.945 56.400 -0.045 0.000 0.801 560 E CB -0.145 29.542 29.700 -0.021 0.000 0.743 560 E HN 0.563 nan 8.360 nan 0.000 0.453 561 Q N 0.864 120.635 119.800 -0.049 0.000 2.119 561 Q HA -0.099 4.244 4.340 0.005 0.000 0.201 561 Q C 1.918 177.892 176.000 -0.043 0.000 0.972 561 Q CA 1.666 57.446 55.803 -0.037 0.000 0.847 561 Q CB -0.214 28.502 28.738 -0.038 0.000 0.903 561 Q HN 0.234 nan 8.270 nan 0.000 0.433 562 A N 0.204 122.979 122.820 -0.076 0.000 1.930 562 A HA 0.011 4.334 4.320 0.005 0.000 0.217 562 A C 2.267 179.820 177.584 -0.051 0.000 1.175 562 A CA 1.630 53.616 52.037 -0.084 0.000 0.627 562 A CB -1.043 17.865 19.000 -0.154 0.000 0.815 562 A HN 0.526 nan 8.150 nan 0.000 0.443 563 A N -0.149 122.643 122.820 -0.046 0.000 1.898 563 A HA -0.125 4.198 4.320 0.005 0.000 0.216 563 A C 2.122 179.752 177.584 0.076 0.000 1.181 563 A CA 1.844 53.888 52.037 0.011 0.000 0.620 563 A CB -0.440 18.561 19.000 0.002 0.000 0.819 563 A HN 0.533 nan 8.150 nan 0.000 0.442 564 K N -0.211 120.212 120.400 0.039 0.000 2.103 564 K HA -0.211 4.112 4.320 0.005 0.000 0.207 564 K C 1.533 178.152 176.600 0.031 0.000 1.048 564 K CA 1.635 57.944 56.287 0.037 0.000 0.930 564 K CB -0.228 32.281 32.500 0.015 0.000 0.716 564 K HN 0.401 nan 8.250 nan 0.000 0.444 565 N N 0.650 119.361 118.700 0.019 0.000 2.205 565 N HA -0.151 4.592 4.740 0.005 0.000 0.186 565 N C 1.302 176.833 175.510 0.035 0.000 1.015 565 N CA 1.371 54.431 53.050 0.015 0.000 0.862 565 N CB -0.239 38.248 38.487 -0.001 0.000 0.986 565 N HN 0.300 nan 8.380 nan 0.000 0.429 566 A N -0.462 122.401 122.820 0.071 0.000 2.251 566 A HA 0.439 4.762 4.320 0.005 0.000 0.209 566 A C 1.379 179.037 177.584 0.124 0.000 1.187 566 A CA 0.664 52.780 52.037 0.132 0.000 0.823 566 A CB -0.303 18.822 19.000 0.209 0.000 0.846 566 A HN 0.301 nan 8.150 nan 0.000 0.486 567 G N -0.919 107.911 108.800 0.049 0.000 2.137 567 G HA2 -0.193 3.770 3.960 0.005 0.000 0.237 567 G HA3 -0.193 3.770 3.960 0.005 0.000 0.237 567 G C -0.103 174.701 174.900 -0.159 0.000 1.002 567 G CA 0.231 45.297 45.100 -0.057 0.000 0.702 567 G HN 0.691 nan 8.290 nan 0.000 0.515 568 H N -0.281 118.798 119.070 0.015 0.000 2.469 568 H HA 0.624 5.183 4.556 0.005 0.000 0.342 568 H C 0.208 175.543 175.328 0.012 0.000 1.115 568 H CA 0.086 56.145 56.048 0.019 0.000 1.204 568 H CB 1.997 31.775 29.762 0.027 0.000 1.492 568 H HN 0.469 nan 8.280 nan 0.000 0.499 569 A N 3.960 126.850 122.820 0.117 0.000 2.366 569 A HA 0.460 4.783 4.320 0.005 0.000 0.322 569 A C -0.375 177.255 177.584 0.075 0.000 1.397 569 A CA -0.458 51.621 52.037 0.070 0.000 0.984 569 A CB -0.203 18.822 19.000 0.042 0.000 1.149 569 A HN 0.355 nan 8.150 nan 0.000 0.540 570 V N 2.798 122.749 119.914 0.061 0.000 2.588 570 V HA 0.525 4.648 4.120 0.005 0.000 0.304 570 V C 0.123 176.238 176.094 0.035 0.000 1.042 570 V CA -0.483 61.846 62.300 0.049 0.000 0.877 570 V CB 2.314 34.159 31.823 0.037 0.000 0.996 570 V HN 0.895 nan 8.190 nan 0.000 0.425 571 T N 2.418 116.994 114.554 0.038 0.000 2.829 571 T HA 0.697 5.050 4.350 0.005 0.000 0.282 571 T C -0.423 174.308 174.700 0.052 0.000 0.990 571 T CA -0.660 61.464 62.100 0.040 0.000 1.028 571 T CB 1.758 70.651 68.868 0.043 0.000 0.951 571 T HN 0.297 nan 8.240 nan 0.000 0.460 572 V N 4.610 124.564 119.914 0.066 0.000 2.398 572 V HA 0.373 4.496 4.120 0.005 0.000 0.286 572 V C -2.069 174.105 176.094 0.133 0.000 1.026 572 V CA -1.984 60.378 62.300 0.103 0.000 0.868 572 V CB 0.952 32.849 31.823 0.123 0.000 0.982 572 V HN 0.800 nan 8.190 nan 0.000 0.443 573 P HA 0.235 nan 4.420 nan 0.000 0.269 573 P C -1.051 176.367 177.300 0.197 0.000 1.209 573 P CA 0.043 63.211 63.100 0.113 0.000 0.776 573 P CB 0.290 32.020 31.700 0.051 0.000 0.876 574 F N 1.411 121.363 119.950 0.004 0.000 2.581 574 F HA 0.645 5.175 4.527 0.004 0.000 0.311 574 F C -1.492 174.291 175.800 -0.028 0.000 1.113 574 F CA -1.060 56.935 58.000 -0.008 0.000 0.935 574 F CB 1.615 40.617 39.000 0.003 0.000 1.232 574 F HN 0.402 nan 8.300 nan 0.000 0.445 575 A N 7.782 130.006 122.820 -0.993 0.000 2.291 575 A HA 0.742 5.065 4.320 0.005 0.000 0.311 575 A C -2.821 174.114 177.584 -1.081 0.000 1.224 575 A CA -1.660 49.923 52.037 -0.758 0.000 0.821 575 A CB 0.410 19.152 19.000 -0.431 0.000 1.172 575 A HN 0.503 nan 8.150 nan 0.000 0.494 576 P HA 0.469 nan 4.420 nan 0.000 0.275 576 P C 0.739 177.910 177.300 -0.216 0.000 1.266 576 P CA 0.897 63.783 63.100 -0.357 0.000 0.793 576 P CB 1.055 32.769 31.700 0.023 0.000 1.074 577 G N -0.921 107.824 108.800 -0.091 0.000 2.370 577 G HA2 -0.125 3.838 3.960 0.005 0.000 0.174 577 G HA3 -0.125 3.838 3.960 0.005 0.000 0.174 577 G C 0.168 175.028 174.900 -0.066 0.000 1.002 577 G CA -0.553 44.496 45.100 -0.085 0.000 0.730 577 G HN 0.497 nan 8.290 nan 0.000 0.497 578 R N 0.751 121.223 120.500 -0.046 0.000 2.594 578 R HA 0.624 4.967 4.340 0.005 0.000 0.272 578 R C 0.497 176.802 176.300 0.009 0.000 1.074 578 R CA 0.700 56.784 56.100 -0.027 0.000 1.105 578 R CB 0.919 31.210 30.300 -0.015 0.000 1.008 578 R HN 0.469 nan 8.270 nan 0.000 0.472 579 A N 1.634 124.456 122.820 0.003 0.000 2.346 579 A HA 0.404 4.727 4.320 0.005 0.000 0.313 579 A C -1.150 176.445 177.584 0.018 0.000 1.140 579 A CA -0.897 51.154 52.037 0.024 0.000 0.826 579 A CB 1.180 20.184 19.000 0.007 0.000 1.332 579 A HN 0.597 nan 8.150 nan 0.000 0.457 580 D N 1.132 121.547 120.400 0.026 0.000 2.280 580 D HA 0.530 5.173 4.640 0.005 0.000 0.236 580 D C 0.128 176.429 176.300 0.002 0.000 1.082 580 D CA 0.333 54.340 54.000 0.011 0.000 0.834 580 D CB 1.671 42.480 40.800 0.015 0.000 1.100 580 D HN 0.702 nan 8.370 nan 0.000 0.486 581 A N 1.966 124.781 122.820 -0.008 0.000 2.322 581 A HA 0.529 4.852 4.320 0.005 0.000 0.269 581 A C 0.663 178.240 177.584 -0.013 0.000 1.094 581 A CA -0.502 51.528 52.037 -0.013 0.000 0.807 581 A CB 0.459 19.449 19.000 -0.017 0.000 1.047 581 A HN 0.523 nan 8.150 nan 0.000 0.487 582 S N 0.367 116.059 115.700 -0.012 0.000 2.693 582 S HA 0.289 4.762 4.470 0.005 0.000 0.276 582 S C 0.850 175.442 174.600 -0.013 0.000 1.192 582 S CA 0.007 58.200 58.200 -0.011 0.000 0.994 582 S CB 1.100 64.296 63.200 -0.007 0.000 1.012 582 S HN 0.730 nan 8.310 nan 0.000 0.550 583 Q N 0.568 120.360 119.800 -0.013 0.000 2.135 583 Q HA -0.137 4.206 4.340 0.005 0.000 0.204 583 Q C 1.488 177.487 176.000 -0.003 0.000 0.981 583 Q CA 2.096 57.891 55.803 -0.013 0.000 0.856 583 Q CB -0.529 28.202 28.738 -0.012 0.000 0.902 583 Q HN 0.858 nan 8.270 nan 0.000 0.425 584 E N -0.229 119.970 120.200 -0.000 0.000 2.347 584 E HA -0.105 4.248 4.350 0.005 0.000 0.196 584 E C 1.147 177.750 176.600 0.006 0.000 1.008 584 E CA 0.757 57.160 56.400 0.006 0.000 0.852 584 E CB 0.060 29.764 29.700 0.006 0.000 0.783 584 E HN 0.482 nan 8.360 nan 0.000 0.505 585 Q N -0.282 119.517 119.800 -0.002 0.000 2.280 585 Q HA 0.124 4.467 4.340 0.005 0.000 0.202 585 Q C -0.423 175.576 176.000 -0.001 0.000 0.903 585 Q CA 0.355 56.153 55.803 -0.008 0.000 0.948 585 Q CB 0.710 29.437 28.738 -0.018 0.000 1.058 585 Q HN -0.027 nan 8.270 nan 0.000 0.493 586 T N 0.892 115.451 114.554 0.007 0.000 2.934 586 T HA 0.055 4.408 4.350 0.005 0.000 0.328 586 T C -1.039 173.680 174.700 0.032 0.000 1.068 586 T CA -0.709 61.399 62.100 0.013 0.000 1.018 586 T CB 0.959 69.822 68.868 -0.008 0.000 1.009 586 T HN 0.017 nan 8.240 nan 0.000 0.471 587 D N 3.507 123.941 120.400 0.057 0.000 2.342 587 D HA 0.048 4.691 4.640 0.005 0.000 0.260 587 D C 1.265 177.615 176.300 0.082 0.000 1.278 587 D CA -0.092 53.955 54.000 0.078 0.000 0.910 587 D CB 0.996 41.863 40.800 0.112 0.000 1.079 587 D HN 0.189 nan 8.370 nan 0.000 0.496 588 V N 4.646 124.602 119.914 0.070 0.000 2.407 588 V HA -0.193 3.930 4.120 0.005 0.000 0.248 588 V C 2.207 178.367 176.094 0.111 0.000 1.055 588 V CA 1.380 63.725 62.300 0.074 0.000 1.049 588 V CB -0.224 31.632 31.823 0.055 0.000 0.662 588 V HN 0.536 nan 8.190 nan 0.000 0.455 589 E N -0.297 119.967 120.200 0.106 0.000 2.072 589 E HA -0.150 4.203 4.350 0.005 0.000 0.190 589 E C 2.445 179.122 176.600 0.128 0.000 0.982 589 E CA 1.462 57.930 56.400 0.114 0.000 0.803 589 E CB -0.559 29.201 29.700 0.100 0.000 0.755 589 E HN 0.530 nan 8.360 nan 0.000 0.453 590 S N 0.481 116.261 115.700 0.133 0.000 2.402 590 S HA -0.127 4.346 4.470 0.005 0.000 0.229 590 S C 1.864 176.558 174.600 0.157 0.000 1.021 590 S CA 0.988 59.275 58.200 0.145 0.000 0.974 590 S CB -0.062 63.236 63.200 0.162 0.000 0.800 590 S HN 0.099 nan 8.310 nan 0.000 0.484 591 M N 1.687 121.389 119.600 0.169 0.000 2.374 591 M HA 0.235 4.718 4.480 0.005 0.000 0.264 591 M C 1.801 178.312 176.300 0.350 0.000 1.067 591 M CA 1.169 56.607 55.300 0.230 0.000 1.103 591 M CB -0.747 31.958 32.600 0.176 0.000 1.402 591 M HN 0.321 nan 8.290 nan 0.000 0.444 592 A N -0.368 122.617 122.820 0.274 0.000 1.940 592 A HA -0.137 4.186 4.320 0.005 0.000 0.219 592 A C 2.065 179.702 177.584 0.088 0.000 1.176 592 A CA 2.048 54.229 52.037 0.240 0.000 0.631 592 A CB -1.624 17.474 19.000 0.163 0.000 0.814 592 A HN 0.668 nan 8.150 nan 0.000 0.446 593 V N -2.376 117.583 119.914 0.074 0.000 3.078 593 V HA -0.017 4.106 4.120 0.005 0.000 0.265 593 V C 1.764 177.834 176.094 -0.040 0.000 1.122 593 V CA 1.591 63.889 62.300 -0.004 0.000 1.141 593 V CB -0.812 31.014 31.823 0.005 0.000 0.735 593 V HN 0.453 nan 8.190 nan 0.000 0.498 594 L N 0.280 121.521 121.223 0.030 0.000 2.558 594 L HA 0.242 4.585 4.340 0.005 0.000 0.225 594 L C 1.355 178.033 176.870 -0.319 0.000 1.128 594 L CA 0.259 55.101 54.840 0.002 0.000 0.868 594 L CB -0.272 41.921 42.059 0.222 0.000 1.006 594 L HN 0.444 nan 8.230 nan 0.000 0.454 595 E N 3.508 123.264 120.200 -0.741 0.000 2.493 595 E HA 0.019 4.372 4.350 0.005 0.000 0.255 595 E C -2.041 174.162 176.600 -0.662 0.000 0.999 595 E CA -1.614 53.877 56.400 -1.516 0.000 0.934 595 E CB 0.665 29.468 29.700 -1.495 0.000 0.940 595 E HN -0.013 nan 8.360 nan 0.000 0.473 596 P HA -0.026 nan 4.420 nan 0.000 0.276 596 P C 0.520 177.822 177.300 0.003 0.000 1.264 596 P CA -0.024 63.000 63.100 -0.127 0.000 0.769 596 P CB 1.138 32.840 31.700 0.003 0.000 0.840 597 V N 0.947 120.861 119.914 -0.001 0.000 3.354 597 V HA 0.483 4.606 4.120 0.005 0.000 0.258 597 V C 0.703 176.866 176.094 0.116 0.000 1.159 597 V CA 0.616 62.978 62.300 0.104 0.000 1.125 597 V CB -0.548 31.275 31.823 0.001 0.000 0.774 597 V HN 0.523 nan 8.190 nan 0.000 0.464 598 A N 0.595 123.459 122.820 0.072 0.000 2.381 598 A HA 0.728 5.051 4.320 0.005 0.000 0.299 598 A C -1.556 176.143 177.584 0.190 0.000 1.049 598 A CA -0.172 51.916 52.037 0.085 0.000 0.715 598 A CB 1.582 20.547 19.000 -0.058 0.000 1.222 598 A HN 0.274 nan 8.150 nan 0.000 0.428 599 D N 2.238 122.819 120.400 0.301 0.000 2.336 599 D HA 0.396 5.039 4.640 0.005 0.000 0.248 599 D C 1.149 177.602 176.300 0.255 0.000 1.326 599 D CA 0.373 54.572 54.000 0.333 0.000 0.973 599 D CB 1.118 42.183 40.800 0.442 0.000 1.255 599 D HN 0.506 nan 8.370 nan 0.000 0.558 600 G N 1.580 110.426 108.800 0.077 0.000 2.470 600 G HA2 -0.220 3.743 3.960 0.005 0.000 0.220 600 G HA3 -0.220 3.743 3.960 0.005 0.000 0.220 600 G C 1.126 175.939 174.900 -0.144 0.000 1.121 600 G CA 0.355 45.403 45.100 -0.087 0.000 0.766 600 G HN 0.497 nan 8.290 nan 0.000 0.553 601 F N -0.082 119.912 119.950 0.072 0.000 2.661 601 F HA 0.224 4.753 4.527 0.004 0.000 0.298 601 F C 2.534 178.208 175.800 -0.209 0.000 1.137 601 F CA 0.545 58.464 58.000 -0.134 0.000 1.454 601 F CB 0.327 39.184 39.000 -0.239 0.000 1.103 601 F HN -0.014 nan 8.300 nan 0.000 0.577 602 R N -0.166 120.423 120.500 0.148 0.000 2.509 602 R HA 0.096 4.439 4.340 0.005 0.000 0.300 602 R C 0.038 176.424 176.300 0.145 0.000 0.985 602 R CA -0.155 56.012 56.100 0.111 0.000 1.092 602 R CB -0.062 30.370 30.300 0.221 0.000 1.237 602 R HN -0.037 nan 8.270 nan 0.000 0.546 603 N N 0.946 119.712 118.700 0.110 0.000 2.727 603 N HA -0.279 4.464 4.740 0.005 0.000 0.249 603 N C -1.570 174.067 175.510 0.212 0.000 1.048 603 N CA 0.946 54.069 53.050 0.122 0.000 0.714 603 N CB -0.977 37.570 38.487 0.100 0.000 0.959 603 N HN 0.336 nan 8.380 nan 0.000 0.544 604 Y N 0.097 120.455 120.300 0.096 0.000 2.352 604 Y HA 0.673 5.226 4.550 0.006 0.000 0.339 604 Y C -0.687 175.283 175.900 0.116 0.000 0.992 604 Y CA -0.843 57.324 58.100 0.111 0.000 1.100 604 Y CB 1.008 39.545 38.460 0.129 0.000 1.192 604 Y HN 0.111 nan 8.280 nan 0.000 0.458 605 L N 7.302 128.185 121.223 -0.566 0.000 2.439 605 L HA 0.401 4.744 4.340 0.005 0.000 0.270 605 L C 0.681 177.159 176.870 -0.653 0.000 0.972 605 L CA -0.667 53.908 54.840 -0.442 0.000 0.836 605 L CB 2.217 44.208 42.059 -0.113 0.000 1.255 605 L HN 0.688 nan 8.230 nan 0.000 0.404 606 K N 1.761 121.869 120.400 -0.487 0.000 2.155 606 K HA 0.117 4.440 4.320 0.005 0.000 0.203 606 K C 0.685 177.181 176.600 -0.172 0.000 1.052 606 K CA 1.215 57.343 56.287 -0.264 0.000 0.948 606 K CB 0.330 32.875 32.500 0.076 0.000 0.728 606 K HN 0.837 nan 8.250 nan 0.000 0.448 607 G N -0.417 108.205 108.800 -0.297 0.000 2.815 607 G HA2 0.290 4.253 3.960 0.005 0.000 0.305 607 G HA3 0.290 4.253 3.960 0.005 0.000 0.305 607 G C -1.626 172.828 174.900 -0.744 0.000 1.277 607 G CA -0.815 44.013 45.100 -0.452 0.000 0.795 607 G HN -0.085 nan 8.290 nan 0.000 0.528 608 K N 0.590 120.610 120.400 -0.634 0.000 2.211 608 K HA 0.472 4.795 4.320 0.005 0.000 0.275 608 K C -1.409 174.805 176.600 -0.643 0.000 1.024 608 K CA -0.218 55.765 56.287 -0.506 0.000 0.887 608 K CB 1.270 33.626 32.500 -0.240 0.000 1.084 608 K HN 0.518 nan 8.250 nan 0.000 0.463 609 Y N 0.919 121.189 120.300 -0.049 0.000 2.567 609 Y HA 0.299 4.852 4.550 0.004 0.000 0.333 609 Y C 1.686 177.559 175.900 -0.045 0.000 1.106 609 Y CA -1.130 56.939 58.100 -0.051 0.000 1.157 609 Y CB 1.148 39.570 38.460 -0.064 0.000 1.277 609 Y HN 0.321 nan 8.280 nan 0.000 0.490 610 R N 0.015 120.593 120.500 0.129 0.000 2.119 610 R HA 0.062 4.405 4.340 0.005 0.000 0.222 610 R C -0.053 176.265 176.300 0.031 0.000 1.088 610 R CA 0.425 56.554 56.100 0.049 0.000 0.984 610 R CB -0.884 29.431 30.300 0.026 0.000 0.884 610 R HN 0.317 nan 8.270 nan 0.000 0.447 611 V N 4.911 124.842 119.914 0.028 0.000 2.508 611 V HA 0.135 4.258 4.120 0.005 0.000 0.281 611 V C -2.002 174.097 176.094 0.008 0.000 1.041 611 V CA -1.564 60.719 62.300 -0.028 0.000 1.016 611 V CB 0.886 32.645 31.823 -0.107 0.000 0.984 611 V HN 0.085 nan 8.190 nan 0.000 0.478 612 P HA 0.221 nan 4.420 nan 0.000 0.272 612 P C 0.539 177.837 177.300 -0.003 0.000 1.223 612 P CA -0.251 62.855 63.100 0.010 0.000 0.784 612 P CB 0.819 32.522 31.700 0.004 0.000 0.923 613 A N 2.452 125.281 122.820 0.014 0.000 1.972 613 A HA -0.179 4.144 4.320 0.005 0.000 0.219 613 A C 1.806 179.365 177.584 -0.041 0.000 1.169 613 A CA 1.378 53.418 52.037 0.005 0.000 0.635 613 A CB -0.957 18.060 19.000 0.028 0.000 0.810 613 A HN 0.688 nan 8.150 nan 0.000 0.446 614 E N 0.353 120.517 120.200 -0.059 0.000 2.208 614 E HA -0.096 4.257 4.350 0.005 0.000 0.193 614 E C 1.770 178.298 176.600 -0.121 0.000 0.988 614 E CA 1.472 57.803 56.400 -0.115 0.000 0.828 614 E CB -0.846 28.765 29.700 -0.150 0.000 0.763 614 E HN 0.341 nan 8.360 nan 0.000 0.478 615 V N 1.948 121.807 119.914 -0.092 0.000 2.427 615 V HA -0.206 3.917 4.120 0.005 0.000 0.248 615 V C 2.647 178.680 176.094 -0.101 0.000 1.051 615 V CA 1.300 63.541 62.300 -0.098 0.000 1.048 615 V CB -0.569 31.200 31.823 -0.090 0.000 0.666 615 V HN 0.192 nan 8.190 nan 0.000 0.456 616 L N -0.657 120.509 121.223 -0.095 0.000 2.131 616 L HA -0.176 4.167 4.340 0.005 0.000 0.210 616 L C 2.452 179.281 176.870 -0.069 0.000 1.092 616 L CA 1.124 55.907 54.840 -0.095 0.000 0.759 616 L CB -0.627 41.373 42.059 -0.100 0.000 0.903 616 L HN 0.349 nan 8.230 nan 0.000 0.435 617 L N -0.283 120.887 121.223 -0.087 0.000 1.994 617 L HA -0.148 4.195 4.340 0.005 0.000 0.208 617 L C 2.417 179.245 176.870 -0.071 0.000 1.071 617 L CA 1.661 56.429 54.840 -0.121 0.000 0.745 617 L CB -0.418 41.526 42.059 -0.191 0.000 0.892 617 L HN -0.101 nan 8.230 nan 0.000 0.431 618 V N 0.140 120.003 119.914 -0.086 0.000 2.392 618 V HA -0.328 3.795 4.120 0.005 0.000 0.249 618 V C 2.343 178.425 176.094 -0.021 0.000 1.059 618 V CA 2.006 64.272 62.300 -0.057 0.000 1.051 618 V CB -0.906 30.853 31.823 -0.106 0.000 0.658 618 V HN 0.632 nan 8.190 nan 0.000 0.455 619 D N 0.128 120.504 120.400 -0.040 0.000 2.117 619 D HA -0.240 4.404 4.640 0.005 0.000 0.197 619 D C 2.103 178.413 176.300 0.017 0.000 0.987 619 D CA 1.502 55.481 54.000 -0.035 0.000 0.829 619 D CB -0.092 40.661 40.800 -0.078 0.000 0.961 619 D HN 0.290 nan 8.370 nan 0.000 0.460 620 K N 0.376 120.816 120.400 0.067 0.000 2.062 620 K HA 0.088 4.411 4.320 0.005 0.000 0.205 620 K C 1.853 178.602 176.600 0.248 0.000 1.051 620 K CA 1.446 57.830 56.287 0.161 0.000 0.941 620 K CB -0.750 31.901 32.500 0.251 0.000 0.719 620 K HN 0.120 nan 8.250 nan 0.000 0.440 621 A N 0.849 123.844 122.820 0.291 0.000 1.940 621 A HA -0.205 4.118 4.320 0.005 0.000 0.219 621 A C 2.217 179.895 177.584 0.157 0.000 1.176 621 A CA 1.712 53.933 52.037 0.307 0.000 0.631 621 A CB -0.640 18.536 19.000 0.293 0.000 0.814 621 A HN 0.481 nan 8.150 nan 0.000 0.446 622 Q N -0.160 119.693 119.800 0.088 0.000 2.119 622 Q HA -0.074 4.269 4.340 0.005 0.000 0.201 622 Q C 2.048 178.084 176.000 0.061 0.000 0.972 622 Q CA 1.343 57.177 55.803 0.051 0.000 0.847 622 Q CB -0.263 28.481 28.738 0.011 0.000 0.903 622 Q HN 0.724 nan 8.270 nan 0.000 0.433 623 L N 0.259 121.514 121.223 0.054 0.000 2.083 623 L HA -0.151 4.192 4.340 0.005 0.000 0.209 623 L C 2.284 179.212 176.870 0.097 0.000 1.083 623 L CA 0.681 55.541 54.840 0.034 0.000 0.752 623 L CB -0.305 41.752 42.059 -0.002 0.000 0.899 623 L HN 0.177 nan 8.230 nan 0.000 0.433 624 L N -0.080 121.218 121.223 0.126 0.000 2.610 624 L HA -0.045 4.298 4.340 0.005 0.000 0.232 624 L C 1.183 178.128 176.870 0.126 0.000 1.149 624 L CA 0.746 55.670 54.840 0.140 0.000 0.872 624 L CB -0.763 41.332 42.059 0.060 0.000 0.992 624 L HN 0.577 nan 8.230 nan 0.000 0.447 625 T N -3.160 111.471 114.554 0.127 0.000 4.458 625 T HA -0.236 4.117 4.350 0.005 0.000 0.317 625 T C -0.021 174.729 174.700 0.084 0.000 0.916 625 T CA 0.506 62.670 62.100 0.108 0.000 2.068 625 T CB -2.641 66.299 68.868 0.121 0.000 1.908 625 T HN 0.196 nan 8.240 nan 0.000 0.934 626 L N 1.759 123.038 121.223 0.093 0.000 2.357 626 L HA 0.662 5.005 4.340 0.005 0.000 0.273 626 L C 1.352 178.293 176.870 0.117 0.000 1.080 626 L CA -0.524 54.377 54.840 0.101 0.000 0.803 626 L CB 1.507 43.649 42.059 0.138 0.000 1.174 626 L HN 0.573 nan 8.230 nan 0.000 0.443 627 S N 1.228 117.019 115.700 0.152 0.000 2.655 627 S HA 0.388 4.861 4.470 0.005 0.000 0.265 627 S C 1.030 175.790 174.600 0.268 0.000 1.240 627 S CA -0.132 58.210 58.200 0.237 0.000 0.986 627 S CB 1.461 64.842 63.200 0.301 0.000 0.985 627 S HN 0.686 nan 8.310 nan 0.000 0.562 628 A N 0.786 123.883 122.820 0.461 0.000 1.902 628 A HA 0.119 4.442 4.320 0.005 0.000 0.217 628 A C -0.438 177.339 177.584 0.321 0.000 1.181 628 A CA 1.320 53.565 52.037 0.348 0.000 0.623 628 A CB -2.128 17.108 19.000 0.394 0.000 0.818 628 A HN 0.717 nan 8.150 nan 0.000 0.443 629 P HA -0.126 nan 4.420 nan 0.000 0.217 629 P C 1.165 178.595 177.300 0.216 0.000 1.150 629 P CA 1.384 64.650 63.100 0.277 0.000 0.832 629 P CB -0.023 31.816 31.700 0.232 0.000 0.787 630 E N -1.010 119.298 120.200 0.180 0.000 2.072 630 E HA -0.161 4.192 4.350 0.005 0.000 0.191 630 E C 1.985 178.674 176.600 0.150 0.000 0.985 630 E CA 0.923 57.389 56.400 0.111 0.000 0.801 630 E CB -0.507 29.246 29.700 0.088 0.000 0.750 630 E HN 0.204 nan 8.360 nan 0.000 0.452 631 M N 0.654 120.403 119.600 0.249 0.000 2.108 631 M HA -0.189 4.294 4.480 0.005 0.000 0.261 631 M C 1.986 178.492 176.300 0.345 0.000 1.066 631 M CA 1.656 57.200 55.300 0.407 0.000 1.107 631 M CB -0.124 32.723 32.600 0.413 0.000 1.356 631 M HN -0.000 nan 8.290 nan 0.000 0.406 632 T N -0.048 114.680 114.554 0.291 0.000 2.737 632 T HA -0.137 4.216 4.350 0.005 0.000 0.265 632 T C 1.706 176.449 174.700 0.072 0.000 1.038 632 T CA 1.654 63.861 62.100 0.177 0.000 1.144 632 T CB -0.441 68.640 68.868 0.354 0.000 0.866 632 T HN 0.347 nan 8.240 nan 0.000 0.434 633 V N 1.346 121.244 119.914 -0.026 0.000 2.515 633 V HA -0.037 4.086 4.120 0.005 0.000 0.250 633 V C 2.236 178.459 176.094 0.215 0.000 1.058 633 V CA 1.209 63.477 62.300 -0.054 0.000 1.064 633 V CB -0.337 31.257 31.823 -0.382 0.000 0.675 633 V HN 0.363 nan 8.190 nan 0.000 0.461 634 L N -0.280 121.020 121.223 0.129 0.000 2.005 634 L HA -0.111 4.232 4.340 0.005 0.000 0.207 634 L C 2.200 179.184 176.870 0.189 0.000 1.072 634 L CA 2.376 57.302 54.840 0.144 0.000 0.744 634 L CB -0.696 41.345 42.059 -0.030 0.000 0.895 634 L HN 0.358 nan 8.230 nan 0.000 0.433 635 L N -0.762 120.526 121.223 0.109 0.000 2.017 635 L HA -0.095 4.248 4.340 0.005 0.000 0.208 635 L C 2.314 178.844 176.870 -0.567 0.000 1.073 635 L CA 1.832 56.568 54.840 -0.174 0.000 0.745 635 L CB -1.002 40.831 42.059 -0.377 0.000 0.894 635 L HN 0.405 nan 8.230 nan 0.000 0.432 636 G N -1.226 107.158 108.800 -0.694 0.000 2.432 636 G HA2 -0.208 3.755 3.960 0.005 0.000 0.219 636 G HA3 -0.208 3.755 3.960 0.005 0.000 0.219 636 G C 1.417 176.039 174.900 -0.463 0.000 1.135 636 G CA 0.605 45.033 45.100 -1.119 0.000 0.767 636 G HN 0.580 nan 8.290 nan 0.000 0.550 637 G N 0.766 109.563 108.800 -0.004 0.000 2.394 637 G HA2 -0.076 3.887 3.960 0.005 0.000 0.215 637 G HA3 -0.076 3.887 3.960 0.005 0.000 0.215 637 G C 1.771 176.480 174.900 -0.318 0.000 1.165 637 G CA 0.496 45.477 45.100 -0.199 0.000 0.784 637 G HN 0.406 nan 8.290 nan 0.000 0.535 638 L N -0.054 121.095 121.223 -0.122 0.000 2.131 638 L HA -0.033 4.310 4.340 0.005 0.000 0.210 638 L C 3.173 179.901 176.870 -0.237 0.000 1.092 638 L CA 0.586 55.330 54.840 -0.161 0.000 0.759 638 L CB -0.265 41.672 42.059 -0.204 0.000 0.903 638 L HN 0.068 nan 8.230 nan 0.000 0.435 639 R N 0.047 120.344 120.500 -0.337 0.000 2.081 639 R HA -0.129 4.214 4.340 0.005 0.000 0.235 639 R C 2.182 178.344 176.300 -0.231 0.000 1.131 639 R CA 1.815 57.722 56.100 -0.322 0.000 0.960 639 R CB -0.940 29.072 30.300 -0.481 0.000 0.856 639 R HN 0.449 nan 8.270 nan 0.000 0.436 640 V N -1.656 118.112 119.914 -0.243 0.000 3.217 640 V HA 0.030 4.153 4.120 0.005 0.000 0.264 640 V C 1.932 177.933 176.094 -0.155 0.000 1.135 640 V CA 1.063 63.258 62.300 -0.174 0.000 1.142 640 V CB -0.503 31.218 31.823 -0.169 0.000 0.754 640 V HN 0.093 nan 8.190 nan 0.000 0.484 641 L N 1.316 122.425 121.223 -0.189 0.000 2.558 641 L HA 0.450 4.793 4.340 0.005 0.000 0.225 641 L C 1.806 178.611 176.870 -0.108 0.000 1.128 641 L CA 0.800 55.539 54.840 -0.169 0.000 0.868 641 L CB -0.361 41.561 42.059 -0.229 0.000 1.006 641 L HN 0.630 nan 8.230 nan 0.000 0.454 642 G N -0.148 108.596 108.800 -0.094 0.000 2.142 642 G HA2 -0.265 3.698 3.960 0.005 0.000 0.225 642 G HA3 -0.265 3.698 3.960 0.005 0.000 0.225 642 G C 0.721 175.601 174.900 -0.034 0.000 1.015 642 G CA 0.191 45.260 45.100 -0.052 0.000 0.716 642 G HN 0.388 nan 8.290 nan 0.000 0.508 643 A N -0.580 122.206 122.820 -0.057 0.000 2.238 643 A HA 0.343 4.666 4.320 0.005 0.000 0.208 643 A C 1.160 178.739 177.584 -0.008 0.000 1.177 643 A CA 0.519 52.539 52.037 -0.027 0.000 0.804 643 A CB -0.104 18.853 19.000 -0.072 0.000 0.823 643 A HN 0.440 nan 8.150 nan 0.000 0.482 644 N N 0.230 118.922 118.700 -0.013 0.000 2.454 644 N HA 0.206 4.949 4.740 0.005 0.000 0.254 644 N C -0.090 175.456 175.510 0.060 0.000 1.228 644 N CA 0.034 53.100 53.050 0.027 0.000 0.900 644 N CB 0.760 39.257 38.487 0.015 0.000 1.089 644 N HN 0.016 nan 8.380 nan 0.000 0.449 645 V N 1.326 121.301 119.914 0.101 0.000 2.673 645 V HA 0.165 4.288 4.120 0.005 0.000 0.303 645 V C 1.521 177.671 176.094 0.094 0.000 1.046 645 V CA 1.025 63.385 62.300 0.101 0.000 1.126 645 V CB 0.298 32.206 31.823 0.142 0.000 0.934 645 V HN 0.973 nan 8.190 nan 0.000 0.487 646 G N 3.719 112.562 108.800 0.071 0.000 2.153 646 G HA2 -0.283 3.680 3.960 0.005 0.000 0.252 646 G HA3 -0.283 3.680 3.960 0.005 0.000 0.252 646 G C 0.377 175.297 174.900 0.033 0.000 0.994 646 G CA 0.311 45.445 45.100 0.057 0.000 0.698 646 G HN 0.889 nan 8.290 nan 0.000 0.521 647 Q N -1.692 118.125 119.800 0.028 0.000 2.480 647 Q HA -0.200 4.143 4.340 0.005 0.000 0.265 647 Q C 0.862 176.859 176.000 -0.006 0.000 1.072 647 Q CA 1.432 57.243 55.803 0.014 0.000 1.018 647 Q CB -2.088 26.659 28.738 0.016 0.000 1.433 647 Q HN 1.509 nan 8.270 nan 0.000 0.513 648 S N 0.016 115.706 115.700 -0.017 0.000 2.552 648 S HA 0.083 4.556 4.470 0.005 0.000 0.289 648 S C 1.354 175.910 174.600 -0.073 0.000 1.304 648 S CA -0.129 58.017 58.200 -0.091 0.000 1.063 648 S CB 0.536 63.683 63.200 -0.088 0.000 0.848 648 S HN 0.250 nan 8.310 nan 0.000 0.499 649 R N 2.837 123.276 120.500 -0.102 0.000 2.299 649 R HA 0.039 4.382 4.340 0.005 0.000 0.197 649 R C 0.126 176.508 176.300 0.137 0.000 0.971 649 R CA 0.279 56.400 56.100 0.034 0.000 1.030 649 R CB -0.657 29.702 30.300 0.099 0.000 0.932 649 R HN 0.737 nan 8.270 nan 0.000 0.477 650 H N 0.376 119.508 119.070 0.103 0.000 3.004 650 H HA 0.077 4.636 4.556 0.005 0.000 0.316 650 H C 1.188 176.487 175.328 -0.049 0.000 1.014 650 H CA 0.344 56.461 56.048 0.114 0.000 1.454 650 H CB 0.531 30.363 29.762 0.116 0.000 1.472 650 H HN 0.387 nan 8.280 nan 0.000 0.571 651 G N 2.631 111.378 108.800 -0.089 0.000 2.168 651 G HA2 -0.307 3.656 3.960 0.005 0.000 0.263 651 G HA3 -0.307 3.656 3.960 0.005 0.000 0.263 651 G C 0.377 174.758 174.900 -0.865 0.000 0.977 651 G CA 0.346 44.938 45.100 -0.846 0.000 0.659 651 G HN 0.528 nan 8.290 nan 0.000 0.533 652 V N 1.720 121.428 119.914 -0.344 0.000 2.008 652 V HA 0.323 4.446 4.120 0.005 0.000 0.262 652 V C 0.684 176.727 176.094 -0.083 0.000 1.580 652 V CA -0.137 62.062 62.300 -0.168 0.000 1.515 652 V CB -0.774 31.043 31.823 -0.010 0.000 1.474 652 V HN 0.343 nan 8.190 nan 0.000 0.504 653 F N 1.859 121.603 119.950 -0.343 0.000 2.669 653 F HA 0.380 4.911 4.527 0.006 0.000 0.353 653 F C 0.923 176.318 175.800 -0.675 0.000 1.192 653 F CA -0.151 57.208 58.000 -1.068 0.000 1.317 653 F CB 0.312 38.574 39.000 -1.230 0.000 1.652 653 F HN 0.380 nan 8.300 nan 0.000 0.608 654 T N -0.378 114.144 114.554 -0.053 0.000 2.889 654 T HA 0.543 4.896 4.350 0.005 0.000 0.315 654 T C 0.129 174.995 174.700 0.276 0.000 1.291 654 T CA -0.202 61.967 62.100 0.114 0.000 1.028 654 T CB 1.704 70.583 68.868 0.017 0.000 1.235 654 T HN 0.222 nan 8.240 nan 0.000 0.491 655 A N 2.856 125.816 122.820 0.234 0.000 2.308 655 A HA 0.310 4.633 4.320 0.005 0.000 0.217 655 A C 0.973 178.616 177.584 0.099 0.000 1.216 655 A CA -0.108 52.032 52.037 0.171 0.000 0.864 655 A CB -0.057 19.028 19.000 0.141 0.000 0.902 655 A HN 0.666 nan 8.150 nan 0.000 0.499 656 R N 0.585 121.131 120.500 0.076 0.000 2.738 656 R HA 0.366 4.709 4.340 0.005 0.000 0.280 656 R C -0.649 175.662 176.300 0.018 0.000 1.456 656 R CA -0.414 55.710 56.100 0.040 0.000 1.612 656 R CB -0.098 30.222 30.300 0.033 0.000 1.286 656 R HN 0.352 nan 8.270 nan 0.000 0.660 657 E N 1.845 122.059 120.200 0.023 0.000 2.437 657 E HA -0.122 4.231 4.350 0.005 0.000 0.263 657 E C -0.192 176.395 176.600 -0.021 0.000 1.030 657 E CA 0.670 57.068 56.400 -0.004 0.000 0.934 657 E CB 0.460 30.166 29.700 0.009 0.000 0.943 657 E HN 0.479 nan 8.360 nan 0.000 0.444 658 Q N -1.377 118.393 119.800 -0.049 0.000 2.424 658 Q HA -0.259 4.085 4.340 0.005 0.000 0.234 658 Q C -1.020 174.944 176.000 -0.060 0.000 0.748 658 Q CA 0.641 56.409 55.803 -0.060 0.000 1.286 658 Q CB -1.760 26.955 28.738 -0.040 0.000 1.494 658 Q HN 0.485 nan 8.270 nan 0.000 0.683 659 A N 0.763 123.552 122.820 -0.052 0.000 2.330 659 A HA 0.658 4.982 4.320 0.005 0.000 0.327 659 A C -0.497 177.046 177.584 -0.067 0.000 1.155 659 A CA -0.593 51.421 52.037 -0.040 0.000 0.803 659 A CB 1.039 20.036 19.000 -0.004 0.000 1.208 659 A HN 0.183 nan 8.150 nan 0.000 0.477 660 L N 3.635 124.816 121.223 -0.070 0.000 2.312 660 L HA 0.519 4.862 4.340 0.005 0.000 0.287 660 L C 0.491 177.378 176.870 0.029 0.000 1.091 660 L CA 0.836 55.618 54.840 -0.095 0.000 0.846 660 L CB -0.121 41.830 42.059 -0.181 0.000 1.219 660 L HN 0.866 nan 8.230 nan 0.000 0.439 661 T N 0.411 114.972 114.554 0.013 0.000 2.865 661 T HA 0.405 4.758 4.350 0.005 0.000 0.294 661 T C 0.419 174.863 174.700 -0.426 0.000 1.119 661 T CA -0.559 61.517 62.100 -0.041 0.000 1.007 661 T CB 1.218 70.071 68.868 -0.025 0.000 1.225 661 T HN 0.496 nan 8.240 nan 0.000 0.515 662 N N -0.015 118.399 118.700 -0.477 0.000 2.322 662 N HA 0.066 4.809 4.740 0.005 0.000 0.216 662 N C 0.212 175.604 175.510 -0.197 0.000 1.144 662 N CA -0.172 52.497 53.050 -0.635 0.000 0.830 662 N CB -0.285 38.047 38.487 -0.259 0.000 1.034 662 N HN 0.538 nan 8.380 nan 0.000 0.484 663 D N 0.565 120.860 120.400 -0.176 0.000 2.182 663 D HA -0.164 4.479 4.640 0.005 0.000 0.201 663 D C 1.212 177.425 176.300 -0.145 0.000 0.986 663 D CA 0.648 54.590 54.000 -0.096 0.000 0.847 663 D CB -0.310 40.450 40.800 -0.066 0.000 0.942 663 D HN 0.356 nan 8.370 nan 0.000 0.467 664 F N 0.448 120.148 119.950 -0.417 0.000 2.091 664 F HA -0.251 4.280 4.527 0.006 0.000 0.299 664 F C 1.895 177.416 175.800 -0.465 0.000 1.103 664 F CA 1.511 59.192 58.000 -0.532 0.000 1.228 664 F CB -0.407 38.046 39.000 -0.911 0.000 0.984 664 F HN -0.107 nan 8.300 nan 0.000 0.477 665 F N -0.583 119.360 119.950 -0.011 0.000 2.163 665 F HA -0.124 4.406 4.527 0.005 0.000 0.297 665 F C 2.310 178.054 175.800 -0.094 0.000 1.094 665 F CA 1.165 59.142 58.000 -0.039 0.000 1.290 665 F CB -1.142 37.903 39.000 0.075 0.000 1.017 665 F HN -0.233 nan 8.300 nan 0.000 0.483 666 V N 0.390 120.358 119.914 0.091 0.000 2.358 666 V HA -0.259 3.864 4.120 0.005 0.000 0.246 666 V C 2.073 178.149 176.094 -0.030 0.000 1.047 666 V CA 1.849 64.175 62.300 0.044 0.000 1.035 666 V CB -0.615 31.234 31.823 0.042 0.000 0.658 666 V HN 0.356 nan 8.190 nan 0.000 0.452 667 N N 0.100 118.726 118.700 -0.124 0.000 2.216 667 N HA -0.094 4.649 4.740 0.005 0.000 0.183 667 N C 1.744 177.067 175.510 -0.312 0.000 1.017 667 N CA 1.195 54.131 53.050 -0.189 0.000 0.861 667 N CB -0.335 37.928 38.487 -0.373 0.000 0.986 667 N HN 0.409 nan 8.380 nan 0.000 0.428 668 L N 1.166 122.117 121.223 -0.453 0.000 2.083 668 L HA -0.016 4.327 4.340 0.005 0.000 0.209 668 L C 1.568 178.327 176.870 -0.185 0.000 1.083 668 L CA 1.446 55.997 54.840 -0.481 0.000 0.752 668 L CB -0.395 41.324 42.059 -0.565 0.000 0.899 668 L HN 0.076 nan 8.230 nan 0.000 0.433 669 L N -0.353 120.820 121.223 -0.083 0.000 2.612 669 L HA 0.114 4.457 4.340 0.005 0.000 0.230 669 L C 0.214 177.101 176.870 0.028 0.000 1.140 669 L CA -0.228 54.610 54.840 -0.002 0.000 0.896 669 L CB -0.619 41.464 42.059 0.041 0.000 1.065 669 L HN 0.183 nan 8.230 nan 0.000 0.447 670 D N 0.851 121.273 120.400 0.037 0.000 2.339 670 D HA -0.014 4.629 4.640 0.005 0.000 0.256 670 D C 0.893 177.235 176.300 0.072 0.000 1.214 670 D CA -0.105 53.927 54.000 0.054 0.000 0.877 670 D CB 1.304 42.145 40.800 0.069 0.000 1.111 670 D HN -0.080 nan 8.370 nan 0.000 0.478 671 M N 3.459 123.089 119.600 0.050 0.000 2.630 671 M HA 0.141 4.624 4.480 0.005 0.000 0.254 671 M C 1.707 178.024 176.300 0.027 0.000 1.092 671 M CA 0.647 55.975 55.300 0.048 0.000 1.087 671 M CB -0.355 32.263 32.600 0.030 0.000 1.453 671 M HN 0.437 nan 8.290 nan 0.000 0.509 672 G N -0.754 108.056 108.800 0.017 0.000 2.625 672 G HA2 -0.046 3.918 3.960 0.005 0.000 0.214 672 G HA3 -0.046 3.918 3.960 0.005 0.000 0.214 672 G C 0.306 175.178 174.900 -0.048 0.000 1.132 672 G CA 0.572 45.664 45.100 -0.013 0.000 0.782 672 G HN 0.460 nan 8.290 nan 0.000 0.538 673 T N -0.163 114.365 114.554 -0.042 0.000 2.829 673 T HA 0.487 4.840 4.350 0.005 0.000 0.280 673 T C -0.841 173.739 174.700 -0.199 0.000 0.999 673 T CA -0.523 61.468 62.100 -0.181 0.000 0.983 673 T CB 2.691 71.445 68.868 -0.190 0.000 0.968 673 T HN 0.232 nan 8.240 nan 0.000 0.446 674 E N 1.818 121.833 120.200 -0.308 0.000 2.195 674 E HA 0.459 4.812 4.350 0.005 0.000 0.271 674 E C -1.427 174.978 176.600 -0.326 0.000 0.923 674 E CA -0.833 55.465 56.400 -0.171 0.000 0.790 674 E CB 1.205 30.851 29.700 -0.089 0.000 1.155 674 E HN 0.547 nan 8.360 nan 0.000 0.402 675 W N 2.768 124.082 121.300 0.025 0.000 2.666 675 W HA 0.488 5.151 4.660 0.005 0.000 0.334 675 W C -0.451 176.143 176.519 0.125 0.000 1.051 675 W CA -0.618 56.770 57.345 0.072 0.000 1.224 675 W CB 1.700 31.176 29.460 0.026 0.000 1.405 675 W HN 0.278 nan 8.180 nan 0.000 0.513 676 K N 2.999 123.630 120.400 0.385 0.000 2.523 676 K HA 0.389 4.712 4.320 0.005 0.000 0.257 676 K C -2.674 174.114 176.600 0.314 0.000 0.932 676 K CA -1.972 54.503 56.287 0.314 0.000 0.812 676 K CB 2.451 35.034 32.500 0.138 0.000 1.326 676 K HN 0.032 nan 8.250 nan 0.000 0.433 677 P HA -0.049 nan 4.420 nan 0.000 0.269 677 P C -0.277 176.938 177.300 -0.143 0.000 1.215 677 P CA -0.110 62.826 63.100 -0.272 0.000 0.780 677 P CB 0.267 31.771 31.700 -0.327 0.000 0.898 678 T N -1.466 112.971 114.554 -0.195 0.000 2.868 678 T HA 0.382 4.736 4.350 0.005 0.000 0.292 678 T C 1.539 176.189 174.700 -0.084 0.000 1.028 678 T CA -0.073 61.973 62.100 -0.090 0.000 1.059 678 T CB 0.592 69.421 68.868 -0.065 0.000 0.991 678 T HN 0.417 nan 8.240 nan 0.000 0.531 679 A N 2.029 124.822 122.820 -0.045 0.000 1.865 679 A HA 0.109 4.432 4.320 0.005 0.000 0.217 679 A C 2.667 180.228 177.584 -0.038 0.000 1.191 679 A CA 1.938 53.954 52.037 -0.035 0.000 0.623 679 A CB -1.569 17.419 19.000 -0.019 0.000 0.826 679 A HN 1.292 nan 8.150 nan 0.000 0.444 680 A N -1.756 121.044 122.820 -0.033 0.000 1.972 680 A HA 0.010 4.333 4.320 0.005 0.000 0.219 680 A C 0.918 178.477 177.584 -0.043 0.000 1.169 680 A CA 1.712 53.732 52.037 -0.029 0.000 0.635 680 A CB -0.096 18.895 19.000 -0.014 0.000 0.810 680 A HN 0.444 nan 8.150 nan 0.000 0.446 681 D N -2.542 117.815 120.400 -0.071 0.000 2.470 681 D HA 0.493 5.136 4.640 0.005 0.000 0.233 681 D C 0.416 176.609 176.300 -0.179 0.000 1.372 681 D CA 0.289 54.231 54.000 -0.097 0.000 0.994 681 D CB 1.169 41.925 40.800 -0.074 0.000 1.377 681 D HN 0.054 nan 8.370 nan 0.000 0.586 682 A N 2.957 125.676 122.820 -0.170 0.000 2.178 682 A HA -0.103 4.220 4.320 0.005 0.000 0.218 682 A C 1.163 178.518 177.584 -0.383 0.000 1.157 682 A CA 1.042 52.937 52.037 -0.237 0.000 0.689 682 A CB 0.105 19.036 19.000 -0.114 0.000 0.787 682 A HN 0.473 nan 8.150 nan 0.000 0.465 683 D N -1.016 119.212 120.400 -0.287 0.000 2.369 683 D HA 0.208 4.851 4.640 0.005 0.000 0.211 683 D C -0.162 175.989 176.300 -0.248 0.000 1.077 683 D CA 0.326 54.211 54.000 -0.191 0.000 0.842 683 D CB 0.674 41.446 40.800 -0.047 0.000 0.947 683 D HN 0.172 nan 8.370 nan 0.000 0.509 684 V N 1.110 120.766 119.914 -0.429 0.000 2.628 684 V HA 0.428 4.551 4.120 0.005 0.000 0.306 684 V C -0.602 175.205 176.094 -0.477 0.000 1.045 684 V CA -0.702 61.413 62.300 -0.309 0.000 0.905 684 V CB 1.812 33.522 31.823 -0.189 0.000 0.997 684 V HN -0.161 nan 8.190 nan 0.000 0.436 685 F N 1.451 121.443 119.950 0.070 0.000 2.551 685 F HA 0.568 5.097 4.527 0.005 0.000 0.316 685 F C 0.294 176.277 175.800 0.306 0.000 1.089 685 F CA -0.677 57.448 58.000 0.209 0.000 0.915 685 F CB 1.948 41.116 39.000 0.279 0.000 1.186 685 F HN 0.390 nan 8.300 nan 0.000 0.456 686 E N 0.702 121.141 120.200 0.400 0.000 2.171 686 E HA 0.536 4.889 4.350 0.005 0.000 0.271 686 E C -0.385 176.205 176.600 -0.017 0.000 0.916 686 E CA -0.759 55.764 56.400 0.205 0.000 0.774 686 E CB 1.985 31.726 29.700 0.069 0.000 1.128 686 E HN 0.795 nan 8.360 nan 0.000 0.403 687 G N 3.248 111.770 108.800 -0.463 0.000 2.347 687 G HA2 0.387 4.350 3.960 0.005 0.000 0.314 687 G HA3 0.387 4.350 3.960 0.005 0.000 0.314 687 G C -0.375 174.103 174.900 -0.703 0.000 1.126 687 G CA -0.467 43.812 45.100 -1.368 0.000 0.929 687 G HN 0.337 nan 8.290 nan 0.000 0.441 688 R N 1.852 122.023 120.500 -0.548 0.000 2.711 688 R HA 0.247 4.590 4.340 0.005 0.000 0.284 688 R C -0.683 175.434 176.300 -0.304 0.000 0.968 688 R CA -0.942 54.951 56.100 -0.345 0.000 0.924 688 R CB 2.033 32.202 30.300 -0.218 0.000 1.162 688 R HN 0.567 nan 8.270 nan 0.000 0.465 689 D N 1.900 122.151 120.400 -0.248 0.000 2.487 689 D HA -0.075 4.568 4.640 0.005 0.000 0.243 689 D C 0.805 177.023 176.300 -0.137 0.000 1.154 689 D CA 0.557 54.448 54.000 -0.182 0.000 0.876 689 D CB 0.836 41.541 40.800 -0.157 0.000 1.161 689 D HN 0.425 nan 8.370 nan 0.000 0.478 690 R N 2.806 123.240 120.500 -0.110 0.000 2.120 690 R HA -0.158 4.185 4.340 0.005 0.000 0.234 690 R C 1.849 178.112 176.300 -0.063 0.000 1.123 690 R CA 1.613 57.666 56.100 -0.079 0.000 0.975 690 R CB 0.051 30.318 30.300 -0.055 0.000 0.866 690 R HN 0.555 nan 8.270 nan 0.000 0.446 691 A N -0.680 122.103 122.820 -0.062 0.000 1.911 691 A HA -0.070 4.253 4.320 0.005 0.000 0.212 691 A C 1.997 179.548 177.584 -0.054 0.000 1.189 691 A CA 1.500 53.507 52.037 -0.050 0.000 0.639 691 A CB -0.172 18.801 19.000 -0.045 0.000 0.839 691 A HN 0.474 nan 8.150 nan 0.000 0.449 692 T N -5.675 108.838 114.554 -0.068 0.000 2.990 692 T HA 0.417 4.770 4.350 0.005 0.000 0.249 692 T C 1.471 176.127 174.700 -0.073 0.000 1.039 692 T CA 1.180 63.240 62.100 -0.066 0.000 1.036 692 T CB 0.399 69.223 68.868 -0.072 0.000 0.994 692 T HN 1.667 nan 8.240 nan 0.000 0.489 693 G N 1.488 110.235 108.800 -0.087 0.000 2.176 693 G HA2 -0.276 3.687 3.960 0.005 0.000 0.253 693 G HA3 -0.276 3.687 3.960 0.005 0.000 0.253 693 G C -0.127 174.708 174.900 -0.109 0.000 0.979 693 G CA 0.266 45.312 45.100 -0.091 0.000 0.641 693 G HN 0.888 nan 8.290 nan 0.000 0.530 694 E N 0.375 120.502 120.200 -0.121 0.000 2.414 694 E HA 0.339 4.692 4.350 0.005 0.000 0.263 694 E C 0.504 176.993 176.600 -0.184 0.000 1.000 694 E CA -0.779 55.539 56.400 -0.137 0.000 0.914 694 E CB 0.308 29.924 29.700 -0.141 0.000 0.948 694 E HN 0.375 nan 8.360 nan 0.000 0.444 695 L N 5.243 126.365 121.223 -0.169 0.000 2.462 695 L HA 0.060 4.403 4.340 0.005 0.000 0.272 695 L C 0.372 177.065 176.870 -0.294 0.000 1.166 695 L CA 0.883 55.604 54.840 -0.197 0.000 0.880 695 L CB 0.581 42.570 42.059 -0.117 0.000 1.142 695 L HN 0.634 nan 8.230 nan 0.000 0.473 696 K N 3.455 123.589 120.400 -0.442 0.000 2.306 696 K HA 0.249 4.572 4.320 0.005 0.000 0.200 696 K C -0.833 175.242 176.600 -0.875 0.000 1.083 696 K CA 0.499 56.299 56.287 -0.811 0.000 0.959 696 K CB 0.380 32.239 32.500 -1.068 0.000 0.994 696 K HN 0.599 nan 8.250 nan 0.000 0.492 697 W N 0.169 121.401 121.300 -0.114 0.000 3.074 697 W HA 0.275 4.938 4.660 0.005 0.000 0.332 697 W C -0.766 175.880 176.519 0.212 0.000 1.253 697 W CA -1.071 56.336 57.345 0.104 0.000 1.180 697 W CB 1.147 30.671 29.460 0.107 0.000 1.445 697 W HN -0.217 nan 8.180 nan 0.000 0.573 698 T N -0.675 114.305 114.554 0.711 0.000 2.916 698 T HA 0.955 5.308 4.350 0.005 0.000 0.292 698 T C -0.396 174.760 174.700 0.759 0.000 1.055 698 T CA -0.652 61.836 62.100 0.647 0.000 1.009 698 T CB 2.038 71.225 68.868 0.531 0.000 1.118 698 T HN 0.929 nan 8.240 nan 0.000 0.497 699 G N 0.214 109.341 108.800 0.545 0.000 2.660 699 G HA2 0.670 4.633 3.960 0.005 0.000 0.290 699 G HA3 0.670 4.633 3.960 0.005 0.000 0.290 699 G C -0.580 174.426 174.900 0.178 0.000 1.432 699 G CA -0.347 44.970 45.100 0.361 0.000 0.807 699 G HN 1.086 nan 8.290 nan 0.000 0.485 700 T N -2.352 112.274 114.554 0.120 0.000 2.922 700 T HA 0.441 4.794 4.350 0.005 0.000 0.281 700 T C 1.302 176.109 174.700 0.179 0.000 1.005 700 T CA -0.648 61.545 62.100 0.155 0.000 0.982 700 T CB 1.957 70.871 68.868 0.077 0.000 1.158 700 T HN 0.446 nan 8.240 nan 0.000 0.566 701 R N -0.420 120.208 120.500 0.214 0.000 2.105 701 R HA -0.044 4.299 4.340 0.005 0.000 0.239 701 R C 2.228 178.516 176.300 -0.020 0.000 1.135 701 R CA 1.099 57.243 56.100 0.073 0.000 0.967 701 R CB -0.879 29.489 30.300 0.113 0.000 0.861 701 R HN 0.460 nan 8.270 nan 0.000 0.442 702 V N 1.493 121.420 119.914 0.022 0.000 2.427 702 V HA -0.205 3.918 4.120 0.005 0.000 0.248 702 V C 1.587 177.765 176.094 0.140 0.000 1.051 702 V CA 1.766 64.078 62.300 0.020 0.000 1.048 702 V CB -0.345 31.483 31.823 0.008 0.000 0.666 702 V HN 0.291 nan 8.190 nan 0.000 0.456 703 D N 0.166 120.643 120.400 0.128 0.000 2.097 703 D HA -0.108 4.535 4.640 0.005 0.000 0.197 703 D C 1.917 178.345 176.300 0.213 0.000 0.984 703 D CA 1.116 55.261 54.000 0.243 0.000 0.826 703 D CB -0.099 40.777 40.800 0.126 0.000 0.973 703 D HN 0.300 nan 8.370 nan 0.000 0.460 704 L N 0.732 121.907 121.223 -0.081 0.000 2.395 704 L HA -0.031 4.312 4.340 0.005 0.000 0.218 704 L C 2.282 179.007 176.870 -0.240 0.000 1.130 704 L CA 0.470 55.119 54.840 -0.318 0.000 0.826 704 L CB -0.356 41.294 42.059 -0.680 0.000 0.941 704 L HN -0.102 nan 8.230 nan 0.000 0.451 705 V N -0.892 118.909 119.914 -0.188 0.000 2.594 705 V HA -0.280 3.843 4.120 0.005 0.000 0.253 705 V C 2.163 178.095 176.094 -0.270 0.000 1.069 705 V CA 1.670 63.812 62.300 -0.265 0.000 1.082 705 V CB -0.370 31.243 31.823 -0.350 0.000 0.680 705 V HN 0.367 nan 8.190 nan 0.000 0.469 706 F N 0.778 120.728 119.950 0.000 0.000 2.546 706 F HA 0.101 4.631 4.527 0.005 0.000 0.298 706 F C 2.112 177.934 175.800 0.038 0.000 1.120 706 F CA 1.167 59.221 58.000 0.090 0.000 1.456 706 F CB -0.444 38.707 39.000 0.252 0.000 1.088 706 F HN 0.308 nan 8.300 nan 0.000 0.572 707 G N -2.206 106.614 108.800 0.032 0.000 3.159 707 G HA2 0.060 4.023 3.960 0.005 0.000 0.232 707 G HA3 0.060 4.023 3.960 0.005 0.000 0.232 707 G C 1.331 176.173 174.900 -0.096 0.000 1.116 707 G CA 0.688 45.754 45.100 -0.056 0.000 0.767 707 G HN 0.319 nan 8.290 nan 0.000 0.547 708 S N -0.887 114.752 115.700 -0.102 0.000 2.891 708 S HA 0.127 4.600 4.470 0.005 0.000 0.247 708 S C 0.753 175.298 174.600 -0.093 0.000 1.063 708 S CA -0.338 57.789 58.200 -0.120 0.000 0.857 708 S CB -0.317 62.783 63.200 -0.166 0.000 0.800 708 S HN 0.321 nan 8.310 nan 0.000 0.540 709 H N 2.750 121.726 119.070 -0.158 0.000 3.004 709 H HA 0.121 4.680 4.556 0.005 0.000 0.316 709 H C 1.525 176.794 175.328 -0.099 0.000 1.014 709 H CA 1.021 56.983 56.048 -0.143 0.000 1.454 709 H CB 1.232 30.893 29.762 -0.169 0.000 1.472 709 H HN 0.537 nan 8.280 nan 0.000 0.571 710 S N 2.785 118.255 115.700 -0.383 0.000 2.402 710 S HA -0.193 4.280 4.470 0.005 0.000 0.229 710 S C 1.849 176.443 174.600 -0.011 0.000 1.021 710 S CA 1.206 59.297 58.200 -0.182 0.000 0.974 710 S CB -0.025 63.026 63.200 -0.248 0.000 0.800 710 S HN 0.781 nan 8.310 nan 0.000 0.484 711 Q N 0.701 120.584 119.800 0.139 0.000 2.096 711 Q HA 0.141 4.484 4.340 0.005 0.000 0.197 711 Q C 2.198 178.342 176.000 0.240 0.000 0.964 711 Q CA 0.947 56.888 55.803 0.230 0.000 0.838 711 Q CB -0.196 28.730 28.738 0.314 0.000 0.906 711 Q HN 0.589 nan 8.270 nan 0.000 0.444 712 L N 0.207 121.613 121.223 0.305 0.000 2.083 712 L HA -0.174 4.169 4.340 0.005 0.000 0.209 712 L C 2.717 179.744 176.870 0.262 0.000 1.083 712 L CA 1.309 56.270 54.840 0.203 0.000 0.752 712 L CB -0.437 41.579 42.059 -0.070 0.000 0.899 712 L HN 0.230 nan 8.230 nan 0.000 0.433 713 R N 0.354 120.964 120.500 0.185 0.000 2.148 713 R HA -0.109 4.234 4.340 0.005 0.000 0.223 713 R C 2.318 178.700 176.300 0.136 0.000 1.088 713 R CA 1.078 57.276 56.100 0.164 0.000 0.985 713 R CB -0.120 30.225 30.300 0.075 0.000 0.880 713 R HN 0.315 nan 8.270 nan 0.000 0.451 714 A N 0.997 123.879 122.820 0.104 0.000 1.933 714 A HA -0.122 4.201 4.320 0.005 0.000 0.218 714 A C 2.076 179.706 177.584 0.077 0.000 1.175 714 A CA 1.130 53.208 52.037 0.067 0.000 0.628 714 A CB -0.379 18.651 19.000 0.050 0.000 0.814 714 A HN 0.333 nan 8.150 nan 0.000 0.444 715 L N -1.152 120.159 121.223 0.145 0.000 2.095 715 L HA -0.082 4.261 4.340 0.005 0.000 0.204 715 L C 3.067 180.047 176.870 0.183 0.000 1.080 715 L CA 0.861 55.799 54.840 0.163 0.000 0.759 715 L CB -0.630 41.597 42.059 0.280 0.000 0.914 715 L HN 0.396 nan 8.230 nan 0.000 0.439 716 A N 0.220 123.211 122.820 0.285 0.000 1.940 716 A HA -0.235 4.088 4.320 0.005 0.000 0.219 716 A C 2.160 179.831 177.584 0.146 0.000 1.176 716 A CA 1.739 53.971 52.037 0.326 0.000 0.631 716 A CB -0.442 18.876 19.000 0.531 0.000 0.814 716 A HN 0.446 nan 8.150 nan 0.000 0.446 717 E N -0.430 119.829 120.200 0.098 0.000 2.077 717 E HA -0.133 4.220 4.350 0.005 0.000 0.193 717 E C 1.986 178.556 176.600 -0.049 0.000 0.989 717 E CA 1.273 57.694 56.400 0.036 0.000 0.800 717 E CB -0.300 29.414 29.700 0.023 0.000 0.746 717 E HN 0.409 nan 8.360 nan 0.000 0.452 718 V N 0.459 120.289 119.914 -0.141 0.000 2.252 718 V HA -0.295 3.828 4.120 0.005 0.000 0.249 718 V C 1.811 177.673 176.094 -0.387 0.000 1.056 718 V CA 1.942 64.056 62.300 -0.310 0.000 1.022 718 V CB -0.636 30.889 31.823 -0.498 0.000 0.641 718 V HN 0.344 nan 8.190 nan 0.000 0.445 719 Y N 0.461 120.626 120.300 -0.225 0.000 2.561 719 Y HA 0.139 4.692 4.550 0.006 0.000 0.291 719 Y C 2.273 178.063 175.900 -0.183 0.000 1.141 719 Y CA 0.712 58.622 58.100 -0.318 0.000 1.303 719 Y CB -0.231 37.657 38.460 -0.953 0.000 1.015 719 Y HN 0.318 nan 8.280 nan 0.000 0.547 720 G N -1.036 107.791 108.800 0.045 0.000 3.284 720 G HA2 0.065 4.028 3.960 0.005 0.000 0.236 720 G HA3 0.065 4.028 3.960 0.005 0.000 0.236 720 G C 0.241 175.182 174.900 0.068 0.000 1.158 720 G CA -0.163 45.022 45.100 0.142 0.000 0.774 720 G HN 0.059 nan 8.290 nan 0.000 0.545 721 S N -0.308 115.407 115.700 0.025 0.000 2.617 721 S HA 0.469 4.942 4.470 0.005 0.000 0.269 721 S C 1.650 176.268 174.600 0.031 0.000 1.292 721 S CA 0.032 58.240 58.200 0.013 0.000 1.010 721 S CB 1.634 64.823 63.200 -0.019 0.000 0.944 721 S HN 0.333 nan 8.310 nan 0.000 0.536 722 A N 1.365 124.201 122.820 0.028 0.000 2.067 722 A HA -0.089 4.234 4.320 0.005 0.000 0.219 722 A C 1.458 179.067 177.584 0.042 0.000 1.158 722 A CA 1.440 53.498 52.037 0.036 0.000 0.661 722 A CB -0.481 18.536 19.000 0.028 0.000 0.801 722 A HN 0.843 nan 8.150 nan 0.000 0.452 723 D N -0.833 119.586 120.400 0.031 0.000 2.328 723 D HA 0.316 4.959 4.640 0.005 0.000 0.226 723 D C 0.916 177.246 176.300 0.051 0.000 1.066 723 D CA 0.754 54.776 54.000 0.035 0.000 0.861 723 D CB -0.072 40.738 40.800 0.017 0.000 0.912 723 D HN 0.276 nan 8.370 nan 0.000 0.521 724 A N -0.159 122.700 122.820 0.065 0.000 2.430 724 A HA 0.131 4.454 4.320 0.005 0.000 0.243 724 A C 1.887 179.580 177.584 0.182 0.000 1.254 724 A CA -0.006 52.086 52.037 0.093 0.000 0.914 724 A CB -0.029 19.003 19.000 0.054 0.000 0.998 724 A HN 0.128 nan 8.150 nan 0.000 0.515 725 Q N 0.545 120.449 119.800 0.174 0.000 2.050 725 Q HA -0.161 4.182 4.340 0.005 0.000 0.202 725 Q C 1.751 177.887 176.000 0.226 0.000 0.980 725 Q CA 2.033 57.971 55.803 0.227 0.000 0.840 725 Q CB -0.096 28.783 28.738 0.234 0.000 0.898 725 Q HN 0.541 nan 8.270 nan 0.000 0.424 726 E N 0.277 120.601 120.200 0.206 0.000 2.072 726 E HA -0.182 4.171 4.350 0.005 0.000 0.191 726 E C 1.797 178.466 176.600 0.114 0.000 0.985 726 E CA 1.061 57.557 56.400 0.160 0.000 0.801 726 E CB -0.153 29.646 29.700 0.166 0.000 0.750 726 E HN 0.403 nan 8.360 nan 0.000 0.452 727 K N 0.180 120.665 120.400 0.141 0.000 2.026 727 K HA -0.175 4.148 4.320 0.005 0.000 0.208 727 K C 2.178 178.908 176.600 0.217 0.000 1.048 727 K CA 1.166 57.541 56.287 0.147 0.000 0.929 727 K CB -0.343 32.231 32.500 0.122 0.000 0.713 727 K HN 0.021 nan 8.250 nan 0.000 0.439 728 F N 1.394 121.461 119.950 0.196 0.000 2.065 728 F HA -0.251 4.278 4.527 0.005 0.000 0.298 728 F C 1.803 177.650 175.800 0.077 0.000 1.112 728 F CA 1.629 59.734 58.000 0.175 0.000 1.212 728 F CB -0.582 38.507 39.000 0.148 0.000 0.975 728 F HN -0.172 nan 8.300 nan 0.000 0.476 729 V N 1.118 120.918 119.914 -0.190 0.000 2.343 729 V HA -0.261 3.863 4.120 0.005 0.000 0.247 729 V C 2.646 178.626 176.094 -0.190 0.000 1.051 729 V CA 2.075 64.187 62.300 -0.313 0.000 1.036 729 V CB -0.624 31.015 31.823 -0.308 0.000 0.654 729 V HN 0.285 nan 8.190 nan 0.000 0.451 730 R N -0.027 120.423 120.500 -0.084 0.000 2.090 730 R HA -0.072 4.271 4.340 0.005 0.000 0.228 730 R C 1.898 178.174 176.300 -0.039 0.000 1.110 730 R CA 1.190 57.271 56.100 -0.032 0.000 0.973 730 R CB -0.788 29.520 30.300 0.012 0.000 0.869 730 R HN 0.514 nan 8.270 nan 0.000 0.440 731 D N 0.070 120.443 120.400 -0.045 0.000 2.183 731 D HA -0.116 4.527 4.640 0.005 0.000 0.203 731 D C 1.579 177.796 176.300 -0.139 0.000 0.969 731 D CA 0.628 54.600 54.000 -0.047 0.000 0.842 731 D CB -0.275 40.553 40.800 0.047 0.000 0.957 731 D HN 0.106 nan 8.370 nan 0.000 0.484 732 F N 1.182 120.885 119.950 -0.411 0.000 2.113 732 F HA -0.186 4.344 4.527 0.004 0.000 0.297 732 F C 2.143 177.847 175.800 -0.159 0.000 1.103 732 F CA 0.966 58.727 58.000 -0.398 0.000 1.248 732 F CB -0.168 38.406 39.000 -0.710 0.000 0.999 732 F HN -0.227 nan 8.300 nan 0.000 0.475 733 V N 0.634 120.536 119.914 -0.020 0.000 2.392 733 V HA -0.338 3.785 4.120 0.005 0.000 0.249 733 V C 2.706 178.782 176.094 -0.031 0.000 1.059 733 V CA 1.818 64.120 62.300 0.004 0.000 1.051 733 V CB -1.535 30.311 31.823 0.039 0.000 0.658 733 V HN 0.505 nan 8.190 nan 0.000 0.455 734 A N -0.668 122.114 122.820 -0.064 0.000 1.898 734 A HA -0.164 4.159 4.320 0.005 0.000 0.216 734 A C 2.452 179.975 177.584 -0.101 0.000 1.181 734 A CA 1.999 54.001 52.037 -0.058 0.000 0.620 734 A CB -0.699 18.276 19.000 -0.042 0.000 0.819 734 A HN 0.344 nan 8.150 nan 0.000 0.442 735 V N -0.641 119.173 119.914 -0.167 0.000 2.453 735 V HA -0.176 3.947 4.120 0.005 0.000 0.247 735 V C 2.039 178.003 176.094 -0.217 0.000 1.048 735 V CA 1.859 64.045 62.300 -0.189 0.000 1.049 735 V CB -0.485 31.219 31.823 -0.198 0.000 0.672 735 V HN 0.793 nan 8.190 nan 0.000 0.457 736 W N 1.128 122.114 121.300 -0.524 0.000 2.317 736 W HA -0.323 4.339 4.660 0.003 0.000 0.318 736 W C 2.255 178.652 176.519 -0.203 0.000 1.227 736 W CA 2.358 59.459 57.345 -0.407 0.000 1.269 736 W CB -0.624 28.543 29.460 -0.489 0.000 1.155 736 W HN 0.501 nan 8.180 nan 0.000 0.484 737 N N 0.934 119.600 118.700 -0.056 0.000 2.104 737 N HA -0.263 4.480 4.740 0.005 0.000 0.190 737 N C 1.928 177.304 175.510 -0.224 0.000 1.024 737 N CA 2.495 55.471 53.050 -0.123 0.000 0.853 737 N CB -0.682 37.794 38.487 -0.018 0.000 1.008 737 N HN 0.164 nan 8.380 nan 0.000 0.424 738 K N -0.132 120.147 120.400 -0.202 0.000 2.032 738 K HA -0.110 4.213 4.320 0.005 0.000 0.209 738 K C 1.688 178.104 176.600 -0.307 0.000 1.048 738 K CA 1.508 57.662 56.287 -0.222 0.000 0.927 738 K CB -0.215 32.186 32.500 -0.165 0.000 0.712 738 K HN 0.055 nan 8.250 nan 0.000 0.441 739 V N 1.462 121.172 119.914 -0.340 0.000 2.358 739 V HA -0.255 3.868 4.120 0.005 0.000 0.246 739 V C 2.430 178.227 176.094 -0.494 0.000 1.047 739 V CA 1.469 63.523 62.300 -0.410 0.000 1.035 739 V CB -0.370 31.221 31.823 -0.386 0.000 0.658 739 V HN 0.420 nan 8.190 nan 0.000 0.452 740 M N 0.206 119.475 119.600 -0.552 0.000 2.267 740 M HA -0.114 4.369 4.480 0.005 0.000 0.263 740 M C 1.311 177.387 176.300 -0.373 0.000 1.063 740 M CA 1.423 56.440 55.300 -0.471 0.000 1.090 740 M CB -1.233 31.109 32.600 -0.429 0.000 1.392 740 M HN 0.376 nan 8.290 nan 0.000 0.422 741 N N -0.244 118.224 118.700 -0.388 0.000 2.187 741 N HA 0.222 4.965 4.740 0.005 0.000 0.212 741 N C 1.481 176.674 175.510 -0.529 0.000 1.152 741 N CA 0.053 52.867 53.050 -0.394 0.000 0.872 741 N CB 0.239 38.528 38.487 -0.329 0.000 1.025 741 N HN 0.316 nan 8.380 nan 0.000 0.514 742 L N 0.647 121.481 121.223 -0.650 0.000 2.127 742 L HA -0.177 4.166 4.340 0.005 0.000 0.211 742 L C 1.034 177.105 176.870 -1.331 0.000 1.089 742 L CA 1.336 55.556 54.840 -1.033 0.000 0.757 742 L CB -0.177 41.048 42.059 -1.391 0.000 0.899 742 L HN 0.127 nan 8.230 nan 0.000 0.434 743 D N -1.561 118.323 120.400 -0.860 0.000 2.358 743 D HA -0.050 4.593 4.640 0.005 0.000 0.224 743 D C 0.670 176.695 176.300 -0.458 0.000 1.123 743 D CA -0.088 53.642 54.000 -0.450 0.000 0.833 743 D CB -0.060 40.766 40.800 0.044 0.000 0.946 743 D HN 0.009 nan 8.370 nan 0.000 0.505 744 R N 0.843 120.963 120.500 -0.634 0.000 4.496 744 R HA 0.186 4.529 4.340 0.005 0.000 0.211 744 R C 0.009 176.065 176.300 -0.407 0.000 1.738 744 R CA -0.324 55.530 56.100 -0.411 0.000 1.528 744 R CB -1.167 28.931 30.300 -0.336 0.000 1.414 744 R HN 0.261 nan 8.270 nan 0.000 0.812 745 F N 0.808 120.709 119.950 -0.081 0.000 2.661 745 F HA -0.102 4.427 4.527 0.004 0.000 0.298 745 F C 2.036 177.802 175.800 -0.057 0.000 1.137 745 F CA 0.598 58.566 58.000 -0.053 0.000 1.454 745 F CB 0.147 39.138 39.000 -0.015 0.000 1.103 745 F HN 0.270 nan 8.300 nan 0.000 0.577 746 D N 0.735 121.169 120.400 0.057 0.000 2.309 746 D HA -0.174 4.469 4.640 0.005 0.000 0.212 746 D C 1.547 177.826 176.300 -0.036 0.000 0.968 746 D CA 1.163 55.163 54.000 0.000 0.000 0.882 746 D CB -0.372 40.408 40.800 -0.033 0.000 0.918 746 D HN 0.356 nan 8.370 nan 0.000 0.503 747 L N -0.303 120.879 121.223 -0.068 0.000 2.664 747 L HA 0.354 4.697 4.340 0.005 0.000 0.233 747 L C 1.453 178.283 176.870 -0.066 0.000 1.113 747 L CA -0.316 54.472 54.840 -0.086 0.000 0.896 747 L CB 0.204 42.181 42.059 -0.137 0.000 1.163 747 L HN -0.040 nan 8.230 nan 0.000 0.497 748 A N 0.000 122.799 122.820 -0.035 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.039 52.037 0.003 0.000 0.836 748 A CB 0.000 19.051 19.000 0.085 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486