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 3mz3_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QXXXXXXXDS IEYGLGYDCP ATEGIFDYAA DATA SEQUENCE AIGGATITAA QCLIDGMCKV AINWSGGWHH AKKDEASGFC YLNDAVLGIL DATA SEQUENCE RLRRKFERIL YVDLDLHHGD GVEDAFSFTS KVMTVSLHKF SPGFFPGTGD DATA SEQUENCE VSDVGLGKGR YYSVNVPIQD GIQDEKYYQI CESVLKEVYQ AFNPKAVVLQ DATA SEQUENCE LGADTIAGDP MCSFNMTPVG IGKCLKYILQ WQLATLILGG GGYNLANTAR DATA SEQUENCE CWTYLTGVIL GKTLSSEIPD HEFFTAYGPD YVLEITPSCR PDRNEPHRIQ DATA SEQUENCE QILNYIKGNL KHVV 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.874 176.870 0.007 0.000 1.165 14 L CA 0.000 54.845 54.840 0.009 0.000 0.813 14 L CB 0.000 42.063 42.059 0.007 0.000 0.961 15 V N 3.462 123.381 119.914 0.010 0.000 2.389 15 V HA 0.491 4.590 4.120 -0.034 0.000 0.264 15 V C -1.954 174.151 176.094 0.019 0.000 1.049 15 V CA -1.627 60.681 62.300 0.013 0.000 0.932 15 V CB 1.102 32.934 31.823 0.015 0.000 1.011 15 V HN -0.007 nan 8.190 nan 0.000 0.475 16 P HA 0.002 nan 4.420 nan 0.000 0.264 16 P C -0.564 176.761 177.300 0.042 0.000 1.179 16 P CA 0.324 63.433 63.100 0.015 0.000 0.763 16 P CB 0.417 32.125 31.700 0.013 0.000 0.806 17 V N 4.487 124.414 119.914 0.021 0.000 2.546 17 V HA 0.124 4.224 4.120 -0.034 0.000 0.284 17 V C -0.340 175.797 176.094 0.071 0.000 1.050 17 V CA 0.018 62.345 62.300 0.045 0.000 0.981 17 V CB 0.368 32.193 31.823 0.003 0.000 0.990 17 V HN 0.402 nan 8.190 nan 0.000 0.474 18 Y N 5.458 125.760 120.300 0.003 0.000 2.345 18 Y HA 0.483 5.013 4.550 -0.034 0.000 0.331 18 Y C 0.109 176.045 175.900 0.059 0.000 0.959 18 Y CA -1.130 56.986 58.100 0.028 0.000 1.204 18 Y CB 1.088 39.604 38.460 0.095 0.000 1.135 18 Y HN 0.461 nan 8.280 nan 0.000 0.477 19 I N 8.471 128.950 120.570 -0.151 0.000 2.366 19 I HA -0.044 4.106 4.170 -0.034 0.000 0.302 19 I C -0.327 175.839 176.117 0.082 0.000 1.194 19 I CA 0.288 61.549 61.300 -0.066 0.000 1.667 19 I CB -1.890 36.012 38.000 -0.163 0.000 1.501 19 I HN 0.563 nan 8.210 nan 0.000 0.776 20 Y N 4.298 124.690 120.300 0.152 0.000 2.618 20 Y HA 0.683 5.213 4.550 -0.034 0.000 0.326 20 Y C 0.245 176.226 175.900 0.135 0.000 1.168 20 Y CA -1.572 56.664 58.100 0.226 0.000 1.269 20 Y CB 1.727 40.435 38.460 0.414 0.000 1.388 20 Y HN 0.396 nan 8.280 nan 0.000 0.528 21 S N 2.548 117.516 115.700 -1.220 0.000 2.670 21 S HA 0.130 4.580 4.470 -0.034 0.000 0.328 21 S C -2.808 171.273 174.600 -0.865 0.000 0.673 21 S CA -0.708 56.984 58.200 -0.848 0.000 0.693 21 S CB 0.114 63.136 63.200 -0.296 0.000 0.988 21 S HN 0.369 nan 8.310 nan 0.000 0.560 22 P HA -0.149 nan 4.420 nan 0.000 0.217 22 P C 1.079 178.327 177.300 -0.087 0.000 1.148 22 P CA 1.703 64.672 63.100 -0.218 0.000 0.834 22 P CB 0.134 31.818 31.700 -0.026 0.000 0.783 23 E N -1.633 118.510 120.200 -0.095 0.000 2.017 23 E HA -0.198 4.132 4.350 -0.034 0.000 0.193 23 E C 1.993 178.608 176.600 0.024 0.000 0.997 23 E CA 1.193 57.579 56.400 -0.023 0.000 0.804 23 E CB -1.484 28.198 29.700 -0.030 0.000 0.757 23 E HN 0.367 nan 8.360 nan 0.000 0.448 24 Y N 1.090 121.301 120.300 -0.149 0.000 1.993 24 Y HA -0.350 4.179 4.550 -0.034 0.000 0.267 24 Y C 2.265 178.126 175.900 -0.065 0.000 1.155 24 Y CA 1.537 59.561 58.100 -0.127 0.000 1.105 24 Y CB -0.366 37.999 38.460 -0.157 0.000 0.960 24 Y HN -0.116 nan 8.280 nan 0.000 0.486 25 V N -0.304 119.538 119.914 -0.121 0.000 2.278 25 V HA -0.401 3.699 4.120 -0.034 0.000 0.251 25 V C 2.414 178.487 176.094 -0.034 0.000 1.062 25 V CA 2.366 64.601 62.300 -0.108 0.000 1.038 25 V CB -0.887 31.025 31.823 0.148 0.000 0.646 25 V HN 0.453 nan 8.190 nan 0.000 0.447 26 S N -1.163 114.553 115.700 0.026 0.000 2.481 26 S HA -0.127 4.323 4.470 -0.034 0.000 0.231 26 S C 1.738 176.360 174.600 0.037 0.000 0.996 26 S CA 1.531 59.764 58.200 0.056 0.000 0.942 26 S CB -0.224 63.019 63.200 0.072 0.000 0.768 26 S HN 0.581 nan 8.310 nan 0.000 0.520 27 M N 0.638 120.238 119.600 -0.001 0.000 2.236 27 M HA 0.029 4.489 4.480 -0.034 0.000 0.266 27 M C 1.911 178.219 176.300 0.013 0.000 1.070 27 M CA 1.524 56.829 55.300 0.008 0.000 1.137 27 M CB -0.867 31.729 32.600 -0.006 0.000 1.378 27 M HN 0.286 nan 8.290 nan 0.000 0.426 28 C N 0.800 120.046 119.300 -0.090 0.000 2.466 28 C HA -0.057 4.383 4.460 -0.034 0.000 0.278 28 C C 2.127 177.203 174.990 0.144 0.000 1.288 28 C CA 0.768 59.783 59.018 -0.005 0.000 1.722 28 C CB -1.288 26.349 27.740 -0.172 0.000 2.017 28 C HN 0.535 nan 8.230 nan 0.000 0.488 29 D N 1.508 121.956 120.400 0.080 0.000 2.239 29 D HA -0.127 4.492 4.640 -0.034 0.000 0.202 29 D C 2.199 178.561 176.300 0.104 0.000 0.993 29 D CA 1.937 55.993 54.000 0.094 0.000 0.874 29 D CB -0.410 40.446 40.800 0.093 0.000 0.922 29 D HN 0.643 nan 8.370 nan 0.000 0.464 30 S N -0.387 115.388 115.700 0.125 0.000 2.603 30 S HA -0.061 4.389 4.470 -0.034 0.000 0.229 30 S C 0.954 175.598 174.600 0.074 0.000 0.972 30 S CA -0.283 57.978 58.200 0.102 0.000 0.935 30 S CB -0.399 62.866 63.200 0.108 0.000 0.769 30 S HN 0.290 nan 8.310 nan 0.000 0.536 31 L N 1.817 123.117 121.223 0.129 0.000 2.433 31 L HA 0.401 4.720 4.340 -0.034 0.000 0.275 31 L C 1.501 178.346 176.870 -0.042 0.000 1.128 31 L CA -0.147 54.687 54.840 -0.010 0.000 0.875 31 L CB 0.385 42.524 42.059 0.133 0.000 1.171 31 L HN 0.306 nan 8.230 nan 0.000 0.463 32 A N 5.850 128.602 122.820 -0.113 0.000 1.882 32 A HA -0.262 4.037 4.320 -0.034 0.000 0.220 32 A C 2.074 179.595 177.584 -0.105 0.000 1.253 32 A CA 1.963 53.939 52.037 -0.102 0.000 0.664 32 A CB -0.424 18.499 19.000 -0.129 0.000 0.838 32 A HN 0.832 nan 8.150 nan 0.000 0.460 33 K N -0.123 120.159 120.400 -0.197 0.000 2.127 33 K HA -0.148 4.152 4.320 -0.034 0.000 0.208 33 K C 1.145 177.743 176.600 -0.002 0.000 1.047 33 K CA 1.628 57.790 56.287 -0.208 0.000 0.927 33 K CB -0.699 31.492 32.500 -0.515 0.000 0.716 33 K HN 0.878 nan 8.250 nan 0.000 0.450 34 I N -0.650 119.950 120.570 0.050 0.000 2.954 34 I HA 0.252 4.402 4.170 -0.034 0.000 0.312 34 I C -2.641 173.508 176.117 0.054 0.000 1.391 34 I CA -2.251 59.102 61.300 0.089 0.000 0.906 34 I CB 1.178 39.270 38.000 0.154 0.000 2.079 34 I HN -0.273 nan 8.210 nan 0.000 0.618 35 P HA -0.068 nan 4.420 nan 0.000 0.258 35 P C 0.090 177.386 177.300 -0.006 0.000 1.172 35 P CA 0.457 63.567 63.100 0.017 0.000 0.762 35 P CB 0.848 32.553 31.700 0.008 0.000 0.764 36 K N 1.186 121.596 120.400 0.017 0.000 3.193 36 K HA -0.236 4.064 4.320 -0.034 0.000 0.294 36 K C 1.512 178.053 176.600 -0.099 0.000 1.185 36 K CA 1.162 57.441 56.287 -0.014 0.000 0.866 36 K CB -1.350 31.134 32.500 -0.026 0.000 1.227 36 K HN 0.436 nan 8.250 nan 0.000 0.467 37 R N -0.003 120.470 120.500 -0.045 0.000 2.073 37 R HA -0.092 4.228 4.340 -0.034 0.000 0.234 37 R C 2.091 178.394 176.300 0.005 0.000 1.134 37 R CA 1.632 57.697 56.100 -0.059 0.000 0.952 37 R CB -0.246 30.049 30.300 -0.008 0.000 0.850 37 R HN 0.355 nan 8.270 nan 0.000 0.433 38 A N 0.206 123.067 122.820 0.068 0.000 1.917 38 A HA -0.196 4.104 4.320 -0.034 0.000 0.219 38 A C 2.202 179.880 177.584 0.157 0.000 1.182 38 A CA 2.151 54.253 52.037 0.108 0.000 0.633 38 A CB -0.610 18.411 19.000 0.035 0.000 0.819 38 A HN 0.437 nan 8.150 nan 0.000 0.448 39 S N -0.254 115.528 115.700 0.138 0.000 2.348 39 S HA -0.165 4.284 4.470 -0.034 0.000 0.221 39 S C 2.038 176.779 174.600 0.235 0.000 1.033 39 S CA 1.792 60.150 58.200 0.264 0.000 1.010 39 S CB -0.464 62.939 63.200 0.339 0.000 0.891 39 S HN 0.596 nan 8.310 nan 0.000 0.442 40 M N 0.826 120.346 119.600 -0.134 0.000 2.144 40 M HA -0.108 4.351 4.480 -0.034 0.000 0.260 40 M C 2.154 178.521 176.300 0.111 0.000 1.067 40 M CA 1.158 56.373 55.300 -0.142 0.000 1.095 40 M CB -0.818 31.561 32.600 -0.369 0.000 1.365 40 M HN 0.157 nan 8.290 nan 0.000 0.406 41 V N -0.362 119.608 119.914 0.094 0.000 2.270 41 V HA -0.277 3.823 4.120 -0.034 0.000 0.245 41 V C 2.351 178.555 176.094 0.183 0.000 1.043 41 V CA 2.390 64.766 62.300 0.127 0.000 1.014 41 V CB -0.855 31.084 31.823 0.194 0.000 0.645 41 V HN 0.469 nan 8.190 nan 0.000 0.447 42 H N 1.496 120.657 119.070 0.152 0.000 2.256 42 H HA -0.168 4.367 4.556 -0.034 0.000 0.299 42 H C 2.547 177.891 175.328 0.027 0.000 1.071 42 H CA 2.399 58.522 56.048 0.125 0.000 1.280 42 H CB -0.665 29.166 29.762 0.116 0.000 1.370 42 H HN 0.477 nan 8.280 nan 0.000 0.490 43 S N 0.103 115.735 115.700 -0.113 0.000 2.400 43 S HA -0.251 4.199 4.470 -0.034 0.000 0.234 43 S C 2.267 176.725 174.600 -0.237 0.000 1.049 43 S CA 1.740 59.857 58.200 -0.138 0.000 1.039 43 S CB -0.954 62.440 63.200 0.322 0.000 0.856 43 S HN 0.417 nan 8.310 nan 0.000 0.465 44 L N 1.227 122.336 121.223 -0.191 0.000 2.072 44 L HA 0.274 4.594 4.340 -0.034 0.000 0.205 44 L C 2.338 179.175 176.870 -0.055 0.000 1.079 44 L CA 1.366 56.033 54.840 -0.289 0.000 0.752 44 L CB -0.473 41.495 42.059 -0.151 0.000 0.906 44 L HN 0.353 nan 8.230 nan 0.000 0.436 45 I N -0.224 120.317 120.570 -0.048 0.000 2.361 45 I HA -0.281 3.869 4.170 -0.034 0.000 0.251 45 I C 2.477 178.540 176.117 -0.090 0.000 1.133 45 I CA 1.748 63.050 61.300 0.003 0.000 1.413 45 I CB -0.292 37.794 38.000 0.143 0.000 1.073 45 I HN 0.510 nan 8.210 nan 0.000 0.424 46 E N 1.724 121.711 120.200 -0.354 0.000 2.086 46 E HA -0.122 4.208 4.350 -0.034 0.000 0.190 46 E C 2.034 178.495 176.600 -0.231 0.000 0.975 46 E CA 0.933 56.971 56.400 -0.604 0.000 0.813 46 E CB -0.054 29.009 29.700 -1.061 0.000 0.768 46 E HN 0.375 nan 8.360 nan 0.000 0.457 47 A N -0.324 122.376 122.820 -0.200 0.000 2.264 47 A HA -0.046 4.253 4.320 -0.034 0.000 0.207 47 A C 0.630 178.110 177.584 -0.173 0.000 1.196 47 A CA 0.370 52.312 52.037 -0.159 0.000 0.778 47 A CB -0.487 18.386 19.000 -0.211 0.000 0.779 47 A HN 0.462 nan 8.150 nan 0.000 0.483 48 Y N -2.026 118.211 120.300 -0.104 0.000 2.500 48 Y HA 0.390 4.920 4.550 -0.033 0.000 0.246 48 Y C 1.456 177.353 175.900 -0.005 0.000 1.146 48 Y CA 0.013 58.081 58.100 -0.053 0.000 1.230 48 Y CB 0.437 38.864 38.460 -0.055 0.000 1.214 48 Y HN 0.472 nan 8.280 nan 0.000 0.526 49 A N 0.008 122.919 122.820 0.152 0.000 2.816 49 A HA -0.273 4.027 4.320 -0.034 0.000 0.270 49 A C 1.196 178.893 177.584 0.188 0.000 1.413 49 A CA 1.327 53.470 52.037 0.178 0.000 0.866 49 A CB -2.128 16.912 19.000 0.066 0.000 1.032 49 A HN 0.535 nan 8.150 nan 0.000 0.642 50 L N -0.494 120.857 121.223 0.215 0.000 2.291 50 L HA -0.104 4.216 4.340 -0.034 0.000 0.214 50 L C 2.492 179.436 176.870 0.124 0.000 1.120 50 L CA 1.194 56.116 54.840 0.137 0.000 0.799 50 L CB -0.491 41.631 42.059 0.104 0.000 0.925 50 L HN 0.874 nan 8.230 nan 0.000 0.446 51 H N -1.400 117.576 119.070 -0.157 0.000 2.555 51 H HA 0.028 4.564 4.556 -0.034 0.000 0.269 51 H C 1.415 176.668 175.328 -0.126 0.000 0.988 51 H CA 0.216 56.112 56.048 -0.253 0.000 1.178 51 H CB -0.307 29.210 29.762 -0.409 0.000 1.373 51 H HN 0.128 nan 8.280 nan 0.000 0.588 52 K N 0.861 121.098 120.400 -0.271 0.000 2.439 52 K HA -0.004 4.296 4.320 -0.034 0.000 0.197 52 K C 0.786 177.322 176.600 -0.106 0.000 1.041 52 K CA 0.466 56.600 56.287 -0.255 0.000 0.970 52 K CB 0.264 32.640 32.500 -0.207 0.000 0.773 52 K HN 0.625 nan 8.250 nan 0.000 0.479 53 Q N -0.403 119.368 119.800 -0.049 0.000 2.157 53 Q HA 0.345 4.665 4.340 -0.034 0.000 0.229 53 Q C -0.192 175.813 176.000 0.008 0.000 0.827 53 Q CA -0.104 55.689 55.803 -0.015 0.000 1.055 53 Q CB 0.705 29.443 28.738 0.000 0.000 1.157 53 Q HN 0.062 nan 8.270 nan 0.000 0.482 54 M N 0.653 120.258 119.600 0.009 0.000 2.446 54 M HA 0.370 4.829 4.480 -0.034 0.000 0.294 54 M C -0.697 175.638 176.300 0.058 0.000 1.158 54 M CA -0.671 54.661 55.300 0.053 0.000 0.899 54 M CB 2.995 35.662 32.600 0.112 0.000 1.687 54 M HN -0.021 nan 8.290 nan 0.000 0.455 55 R N 3.157 123.701 120.500 0.074 0.000 2.609 55 R HA 0.338 4.658 4.340 -0.034 0.000 0.271 55 R C -0.734 175.639 176.300 0.121 0.000 1.403 55 R CA -0.088 56.056 56.100 0.072 0.000 1.138 55 R CB -0.436 29.894 30.300 0.050 0.000 1.142 55 R HN 0.643 nan 8.270 nan 0.000 0.559 56 I N 4.035 124.690 120.570 0.141 0.000 2.775 56 I HA -0.063 4.086 4.170 -0.034 0.000 0.290 56 I C -0.195 176.016 176.117 0.157 0.000 1.203 56 I CA 0.346 61.779 61.300 0.220 0.000 1.433 56 I CB 0.894 39.029 38.000 0.225 0.000 1.354 56 I HN 0.287 nan 8.210 nan 0.000 0.579 57 V N 6.392 126.401 119.914 0.159 0.000 2.612 57 V HA 0.220 4.320 4.120 -0.034 0.000 0.301 57 V C -0.087 176.025 176.094 0.030 0.000 1.059 57 V CA -1.053 61.288 62.300 0.068 0.000 0.886 57 V CB 1.696 33.537 31.823 0.030 0.000 1.007 57 V HN 0.609 nan 8.190 nan 0.000 0.426 58 K N 6.401 126.798 120.400 -0.005 0.000 2.412 58 K HA 0.312 4.612 4.320 -0.034 0.000 0.281 58 K C -2.249 174.280 176.600 -0.118 0.000 1.027 58 K CA -1.062 55.185 56.287 -0.066 0.000 0.989 58 K CB 0.836 33.299 32.500 -0.061 0.000 0.935 58 K HN 0.464 nan 8.250 nan 0.000 0.475 59 P HA 0.117 nan 4.420 nan 0.000 0.288 59 P C -1.534 175.624 177.300 -0.238 0.000 1.267 59 P CA -0.548 62.382 63.100 -0.284 0.000 0.815 59 P CB 1.131 32.498 31.700 -0.556 0.000 0.989 60 K N 1.560 121.854 120.400 -0.176 0.000 2.098 60 K HA 0.446 4.746 4.320 -0.034 0.000 0.257 60 K C -0.523 175.993 176.600 -0.138 0.000 0.999 60 K CA -0.931 55.278 56.287 -0.130 0.000 0.924 60 K CB 0.613 33.063 32.500 -0.084 0.000 1.028 60 K HN 0.099 nan 8.250 nan 0.000 0.466 61 V N 1.570 121.419 119.914 -0.109 0.000 2.649 61 V HA 0.286 4.386 4.120 -0.034 0.000 0.292 61 V C 0.257 176.307 176.094 -0.074 0.000 1.055 61 V CA -0.486 61.751 62.300 -0.106 0.000 1.023 61 V CB 1.061 32.821 31.823 -0.104 0.000 0.992 61 V HN 0.966 nan 8.190 nan 0.000 0.480 62 A N 4.182 126.965 122.820 -0.061 0.000 2.440 62 A HA 0.517 4.816 4.320 -0.034 0.000 0.251 62 A C 0.653 178.234 177.584 -0.005 0.000 1.089 62 A CA -0.029 52.000 52.037 -0.013 0.000 0.779 62 A CB 0.117 19.134 19.000 0.027 0.000 1.022 62 A HN 1.088 nan 8.150 nan 0.000 0.492 63 S N 2.428 118.142 115.700 0.022 0.000 2.601 63 S HA 0.293 4.743 4.470 -0.034 0.000 0.271 63 S C 0.912 175.558 174.600 0.077 0.000 1.305 63 S CA -0.026 58.196 58.200 0.036 0.000 1.022 63 S CB 0.634 63.854 63.200 0.033 0.000 0.940 63 S HN 0.767 nan 8.310 nan 0.000 0.525 64 M N 1.487 121.143 119.600 0.093 0.000 2.346 64 M HA -0.093 4.367 4.480 -0.034 0.000 0.263 64 M C 1.817 178.178 176.300 0.101 0.000 1.064 64 M CA 1.512 56.889 55.300 0.128 0.000 1.083 64 M CB -0.634 32.037 32.600 0.119 0.000 1.399 64 M HN 0.857 nan 8.290 nan 0.000 0.435 65 E N -1.289 118.958 120.200 0.079 0.000 2.340 65 E HA -0.083 4.247 4.350 -0.034 0.000 0.194 65 E C 1.454 178.104 176.600 0.083 0.000 0.996 65 E CA 0.720 57.162 56.400 0.071 0.000 0.869 65 E CB -0.581 29.150 29.700 0.052 0.000 0.835 65 E HN 0.630 nan 8.360 nan 0.000 0.493 66 E N 0.754 121.007 120.200 0.088 0.000 2.112 66 E HA 0.021 4.351 4.350 -0.034 0.000 0.190 66 E C 2.170 178.856 176.600 0.143 0.000 0.979 66 E CA 0.898 57.356 56.400 0.097 0.000 0.814 66 E CB -0.064 29.682 29.700 0.077 0.000 0.762 66 E HN 0.247 nan 8.360 nan 0.000 0.460 67 M N 0.306 120.010 119.600 0.173 0.000 2.200 67 M HA -0.002 4.457 4.480 -0.034 0.000 0.265 67 M C 2.344 178.797 176.300 0.256 0.000 1.066 67 M CA 0.873 56.333 55.300 0.267 0.000 1.127 67 M CB -0.091 32.676 32.600 0.279 0.000 1.379 67 M HN 0.026 nan 8.290 nan 0.000 0.420 68 A N 0.094 123.016 122.820 0.169 0.000 2.259 68 A HA -0.088 4.212 4.320 -0.034 0.000 0.212 68 A C 1.978 179.624 177.584 0.103 0.000 1.178 68 A CA 1.444 53.553 52.037 0.121 0.000 0.734 68 A CB -1.042 18.007 19.000 0.082 0.000 0.774 68 A HN 0.456 nan 8.150 nan 0.000 0.481 69 T N -1.858 112.777 114.554 0.134 0.000 2.985 69 T HA 0.036 4.365 4.350 -0.034 0.000 0.266 69 T C 1.239 176.030 174.700 0.151 0.000 1.076 69 T CA 1.523 63.699 62.100 0.126 0.000 1.135 69 T CB -0.180 68.770 68.868 0.138 0.000 0.890 69 T HN 0.641 nan 8.240 nan 0.000 0.480 70 F N 0.076 120.009 119.950 -0.028 0.000 2.658 70 F HA 0.331 4.838 4.527 -0.033 0.000 0.293 70 F C 0.480 176.163 175.800 -0.196 0.000 0.986 70 F CA -0.491 57.411 58.000 -0.164 0.000 1.182 70 F CB 0.530 39.364 39.000 -0.276 0.000 0.965 70 F HN 0.021 nan 8.300 nan 0.000 0.659 71 H N 1.786 120.790 119.070 -0.110 0.000 2.525 71 H HA 0.270 4.806 4.556 -0.033 0.000 0.339 71 H C 0.442 175.734 175.328 -0.060 0.000 1.109 71 H CA 0.444 56.413 56.048 -0.131 0.000 1.352 71 H CB 1.116 30.985 29.762 0.179 0.000 1.461 71 H HN 0.137 nan 8.280 nan 0.000 0.533 72 T N -0.312 114.283 114.554 0.067 0.000 2.900 72 T HA -0.022 4.307 4.350 -0.034 0.000 0.307 72 T C 0.991 175.739 174.700 0.080 0.000 1.065 72 T CA -0.619 61.511 62.100 0.050 0.000 1.105 72 T CB 0.798 69.699 68.868 0.054 0.000 0.979 72 T HN 0.459 nan 8.240 nan 0.000 0.544 73 D N 1.457 121.879 120.400 0.035 0.000 2.224 73 D HA -0.005 4.615 4.640 -0.034 0.000 0.205 73 D C 2.320 178.609 176.300 -0.019 0.000 0.965 73 D CA 1.192 55.192 54.000 0.000 0.000 0.852 73 D CB -0.350 40.450 40.800 0.000 0.000 0.947 73 D HN 0.778 nan 8.370 nan 0.000 0.494 74 A N 0.604 123.444 122.820 0.034 0.000 1.940 74 A HA -0.234 4.066 4.320 -0.034 0.000 0.219 74 A C 2.079 179.653 177.584 -0.018 0.000 1.176 74 A CA 1.196 53.273 52.037 0.067 0.000 0.631 74 A CB -0.695 18.398 19.000 0.156 0.000 0.814 74 A HN 0.303 nan 8.150 nan 0.000 0.446 75 Y N 0.127 120.311 120.300 -0.194 0.000 2.177 75 Y HA 0.042 4.572 4.550 -0.034 0.000 0.291 75 Y C 1.918 177.589 175.900 -0.381 0.000 1.117 75 Y CA 1.241 59.052 58.100 -0.482 0.000 1.114 75 Y CB -0.653 37.666 38.460 -0.235 0.000 1.017 75 Y HN 0.161 nan 8.280 nan 0.000 0.505 76 L N 0.319 121.274 121.223 -0.446 0.000 2.137 76 L HA -0.311 4.009 4.340 -0.034 0.000 0.213 76 L C 2.491 179.024 176.870 -0.563 0.000 1.085 76 L CA 1.773 56.301 54.840 -0.519 0.000 0.760 76 L CB -0.615 41.329 42.059 -0.192 0.000 0.893 76 L HN 0.293 nan 8.230 nan 0.000 0.434 77 Q N -0.447 119.128 119.800 -0.376 0.000 1.993 77 Q HA -0.257 4.063 4.340 -0.034 0.000 0.202 77 Q C 2.170 177.964 176.000 -0.343 0.000 0.984 77 Q CA 2.034 57.656 55.803 -0.302 0.000 0.837 77 Q CB -0.294 28.346 28.738 -0.164 0.000 0.902 77 Q HN 0.521 nan 8.270 nan 0.000 0.423 78 H N -0.823 117.979 119.070 -0.446 0.000 2.387 78 H HA -0.104 4.432 4.556 -0.034 0.000 0.299 78 H C 1.870 176.950 175.328 -0.414 0.000 1.099 78 H CA 1.456 57.272 56.048 -0.386 0.000 1.315 78 H CB -0.041 29.412 29.762 -0.514 0.000 1.380 78 H HN 0.235 nan 8.280 nan 0.000 0.513 79 L N 0.152 121.116 121.223 -0.433 0.000 2.046 79 L HA -0.226 4.094 4.340 -0.034 0.000 0.208 79 L C 2.650 179.214 176.870 -0.511 0.000 1.077 79 L CA 1.764 56.331 54.840 -0.454 0.000 0.747 79 L CB -0.394 41.249 42.059 -0.694 0.000 0.896 79 L HN 0.505 nan 8.230 nan 0.000 0.432 80 Q N -0.201 119.076 119.800 -0.872 0.000 1.990 80 Q HA -0.208 4.112 4.340 -0.034 0.000 0.200 80 Q C 1.385 177.231 176.000 -0.257 0.000 0.980 80 Q CA 1.260 56.610 55.803 -0.755 0.000 0.832 80 Q CB 0.161 28.434 28.738 -0.775 0.000 0.897 80 Q HN 0.012 nan 8.270 nan 0.000 0.427 81 K N 0.606 120.854 120.400 -0.254 0.000 2.836 81 K HA 0.033 4.332 4.320 -0.034 0.000 0.236 81 K C 0.302 176.808 176.600 -0.157 0.000 1.015 81 K CA 0.135 56.319 56.287 -0.173 0.000 1.194 81 K CB 0.085 32.473 32.500 -0.186 0.000 1.002 81 K HN 0.175 nan 8.250 nan 0.000 0.479 82 V N -0.468 119.382 119.914 -0.106 0.000 3.380 82 V HA 0.029 4.129 4.120 -0.034 0.000 0.277 82 V C 0.167 176.261 176.094 -0.000 0.000 1.590 82 V CA 0.391 62.667 62.300 -0.039 0.000 1.019 82 V CB 0.544 32.399 31.823 0.054 0.000 0.828 82 V HN 0.304 nan 8.190 nan 0.000 0.427 83 S N 1.742 117.446 115.700 0.007 0.000 3.548 83 S HA 0.443 4.893 4.470 -0.034 0.000 0.195 83 S C 0.180 174.799 174.600 0.033 0.000 1.432 83 S CA -0.606 57.615 58.200 0.035 0.000 1.087 83 S CB 0.066 63.327 63.200 0.102 0.000 1.337 83 S HN 0.461 nan 8.310 nan 0.000 0.505 93 S N -0.439 115.420 115.700 0.265 0.000 2.496 93 S HA -0.019 4.431 4.470 -0.034 0.000 0.224 93 S C 1.779 176.421 174.600 0.071 0.000 0.996 93 S CA 0.020 58.403 58.200 0.305 0.000 0.927 93 S CB -0.332 63.097 63.200 0.383 0.000 0.774 93 S HN 0.326 nan 8.310 nan 0.000 0.524 94 I N 2.248 122.849 120.570 0.050 0.000 3.233 94 I HA 0.005 4.155 4.170 -0.034 0.000 0.287 94 I C 2.115 178.185 176.117 -0.078 0.000 1.329 94 I CA 0.932 62.229 61.300 -0.006 0.000 1.385 94 I CB -1.544 36.456 38.000 0.000 0.000 1.053 94 I HN 0.544 nan 8.210 nan 0.000 0.525 95 E N -0.239 119.869 120.200 -0.153 0.000 2.460 95 E HA -0.059 4.271 4.350 -0.034 0.000 0.200 95 E C 0.778 177.059 176.600 -0.532 0.000 1.011 95 E CA 0.169 56.365 56.400 -0.339 0.000 0.912 95 E CB 0.430 29.872 29.700 -0.430 0.000 0.953 95 E HN 0.443 nan 8.360 nan 0.000 0.494 96 Y N -0.757 119.450 120.300 -0.156 0.000 2.584 96 Y HA 0.317 4.846 4.550 -0.034 0.000 0.254 96 Y C 1.194 176.999 175.900 -0.159 0.000 1.177 96 Y CA 0.368 58.362 58.100 -0.175 0.000 1.216 96 Y CB 1.410 39.773 38.460 -0.162 0.000 1.172 96 Y HN 0.142 nan 8.280 nan 0.000 0.529 97 G N 0.660 109.436 108.800 -0.040 0.000 2.136 97 G HA2 -0.279 3.661 3.960 -0.034 0.000 0.242 97 G HA3 -0.279 3.661 3.960 -0.034 0.000 0.242 97 G C 0.053 174.929 174.900 -0.040 0.000 0.989 97 G CA -0.028 45.033 45.100 -0.064 0.000 0.682 97 G HN 0.302 nan 8.290 nan 0.000 0.522 98 L N 1.362 122.597 121.223 0.020 0.000 2.423 98 L HA 0.545 4.865 4.340 -0.034 0.000 0.249 98 L C 1.399 178.310 176.870 0.067 0.000 1.276 98 L CA 0.268 55.149 54.840 0.068 0.000 1.199 98 L CB -0.258 41.872 42.059 0.118 0.000 1.407 98 L HN 0.315 nan 8.230 nan 0.000 0.410 99 G N -0.500 108.326 108.800 0.043 0.000 3.392 99 G HA2 -0.019 3.921 3.960 -0.034 0.000 0.185 99 G HA3 -0.019 3.921 3.960 -0.034 0.000 0.185 99 G C 0.122 175.095 174.900 0.122 0.000 1.206 99 G CA -0.053 45.090 45.100 0.071 0.000 0.776 99 G HN 0.207 nan 8.290 nan 0.000 0.697 100 Y N 1.060 121.349 120.300 -0.019 0.000 2.337 100 Y HA 0.059 4.589 4.550 -0.033 0.000 0.293 100 Y C 2.184 178.088 175.900 0.007 0.000 1.123 100 Y CA 1.735 59.828 58.100 -0.012 0.000 1.201 100 Y CB -0.271 38.170 38.460 -0.032 0.000 1.011 100 Y HN 0.380 nan 8.280 nan 0.000 0.545 101 D N -0.410 119.857 120.400 -0.220 0.000 2.084 101 D HA -0.109 4.511 4.640 -0.034 0.000 0.196 101 D C -0.047 176.199 176.300 -0.090 0.000 0.985 101 D CA 1.497 55.282 54.000 -0.357 0.000 0.826 101 D CB -0.127 40.422 40.800 -0.418 0.000 0.978 101 D HN 0.199 nan 8.370 nan 0.000 0.456 102 C N 1.963 121.203 119.300 -0.099 0.000 3.003 102 C HA 0.455 4.895 4.460 -0.034 0.000 0.241 102 C C -2.487 172.595 174.990 0.155 0.000 1.224 102 C CA -1.460 57.504 59.018 -0.091 0.000 1.560 102 C CB 0.490 27.864 27.740 -0.610 0.000 1.768 102 C HN 0.219 nan 8.230 nan 0.000 0.440 103 P HA 0.052 nan 4.420 nan 0.000 0.265 103 P C 0.236 177.656 177.300 0.199 0.000 1.187 103 P CA 0.588 63.785 63.100 0.162 0.000 0.766 103 P CB 0.624 32.387 31.700 0.104 0.000 0.820 104 A N 2.519 125.428 122.820 0.149 0.000 2.728 104 A HA 0.157 4.457 4.320 -0.034 0.000 0.258 104 A C 0.548 178.154 177.584 0.037 0.000 1.454 104 A CA -0.115 51.995 52.037 0.123 0.000 1.146 104 A CB -1.435 17.654 19.000 0.148 0.000 0.985 104 A HN 0.565 nan 8.150 nan 0.000 0.603 105 T N -0.071 114.476 114.554 -0.012 0.000 2.934 105 T HA 0.249 4.579 4.350 -0.034 0.000 0.306 105 T C 0.258 174.924 174.700 -0.056 0.000 1.042 105 T CA -0.093 61.982 62.100 -0.041 0.000 1.145 105 T CB 0.027 68.851 68.868 -0.073 0.000 0.982 105 T HN 0.736 nan 8.240 nan 0.000 0.544 106 E N 1.853 122.038 120.200 -0.026 0.000 2.652 106 E HA 0.257 4.586 4.350 -0.034 0.000 0.255 106 E C 1.285 177.874 176.600 -0.018 0.000 0.952 106 E CA -0.027 56.365 56.400 -0.013 0.000 0.947 106 E CB -0.725 28.974 29.700 -0.002 0.000 0.912 106 E HN 1.142 nan 8.360 nan 0.000 0.489 107 G N 3.573 112.376 108.800 0.006 0.000 2.175 107 G HA2 -0.375 3.565 3.960 -0.034 0.000 0.244 107 G HA3 -0.375 3.565 3.960 -0.034 0.000 0.244 107 G C 0.714 175.619 174.900 0.007 0.000 0.982 107 G CA 0.252 45.365 45.100 0.022 0.000 0.641 107 G HN 0.893 nan 8.290 nan 0.000 0.527 108 I N -2.375 118.138 120.570 -0.095 0.000 2.502 108 I HA -0.024 4.125 4.170 -0.034 0.000 0.258 108 I C 2.207 178.310 176.117 -0.025 0.000 1.172 108 I CA 1.856 62.994 61.300 -0.271 0.000 1.430 108 I CB -0.496 37.124 38.000 -0.633 0.000 1.086 108 I HN 0.143 nan 8.210 nan 0.000 0.440 109 F N 3.267 123.161 119.950 -0.093 0.000 2.128 109 F HA -0.121 4.385 4.527 -0.034 0.000 0.295 109 F C 1.984 177.798 175.800 0.023 0.000 1.100 109 F CA 1.564 59.539 58.000 -0.043 0.000 1.260 109 F CB -0.651 38.310 39.000 -0.065 0.000 1.009 109 F HN 0.061 nan 8.300 nan 0.000 0.476 110 D N -0.841 119.453 120.400 -0.177 0.000 2.182 110 D HA -0.248 4.372 4.640 -0.034 0.000 0.201 110 D C 2.002 178.231 176.300 -0.118 0.000 0.986 110 D CA 1.544 55.383 54.000 -0.268 0.000 0.847 110 D CB -0.888 39.852 40.800 -0.101 0.000 0.942 110 D HN 0.468 nan 8.370 nan 0.000 0.467 111 Y N 1.458 121.683 120.300 -0.123 0.000 2.220 111 Y HA 0.007 4.537 4.550 -0.034 0.000 0.291 111 Y C 2.224 178.122 175.900 -0.003 0.000 1.129 111 Y CA 1.217 59.287 58.100 -0.049 0.000 1.161 111 Y CB -0.489 37.930 38.460 -0.069 0.000 0.997 111 Y HN -0.055 nan 8.280 nan 0.000 0.522 112 A N 1.198 124.216 122.820 0.330 0.000 1.851 112 A HA -0.163 4.137 4.320 -0.034 0.000 0.216 112 A C 2.497 180.151 177.584 0.117 0.000 1.195 112 A CA 2.479 54.699 52.037 0.305 0.000 0.622 112 A CB -1.699 17.486 19.000 0.310 0.000 0.831 112 A HN 0.651 nan 8.150 nan 0.000 0.444 113 A N -0.347 122.445 122.820 -0.047 0.000 1.986 113 A HA 0.080 4.379 4.320 -0.034 0.000 0.220 113 A C 2.466 180.008 177.584 -0.070 0.000 1.171 113 A CA 2.381 54.367 52.037 -0.083 0.000 0.640 113 A CB -1.074 17.770 19.000 -0.260 0.000 0.811 113 A HN 1.151 nan 8.150 nan 0.000 0.451 114 A N 0.323 123.087 122.820 -0.094 0.000 1.841 114 A HA -0.151 4.149 4.320 -0.034 0.000 0.216 114 A C 2.113 179.681 177.584 -0.027 0.000 1.199 114 A CA 1.710 53.698 52.037 -0.080 0.000 0.621 114 A CB -0.728 18.221 19.000 -0.085 0.000 0.835 114 A HN 0.505 nan 8.150 nan 0.000 0.445 115 I N -0.426 120.164 120.570 0.034 0.000 2.315 115 I HA -0.172 3.978 4.170 -0.034 0.000 0.248 115 I C 2.648 178.832 176.117 0.110 0.000 1.117 115 I CA 1.022 62.417 61.300 0.158 0.000 1.404 115 I CB -0.910 37.218 38.000 0.213 0.000 1.071 115 I HN 0.442 nan 8.210 nan 0.000 0.419 116 G N 1.023 109.893 108.800 0.117 0.000 2.484 116 G HA2 -0.185 3.755 3.960 -0.034 0.000 0.215 116 G HA3 -0.185 3.755 3.960 -0.034 0.000 0.215 116 G C 1.728 176.652 174.900 0.040 0.000 1.219 116 G CA 0.796 45.969 45.100 0.122 0.000 0.791 116 G HN 0.456 nan 8.290 nan 0.000 0.550 117 G N 0.918 109.716 108.800 -0.003 0.000 2.462 117 G HA2 0.053 3.993 3.960 -0.034 0.000 0.220 117 G HA3 0.053 3.993 3.960 -0.034 0.000 0.220 117 G C 1.940 176.773 174.900 -0.113 0.000 1.121 117 G CA 1.506 46.577 45.100 -0.048 0.000 0.758 117 G HN 0.695 nan 8.290 nan 0.000 0.559 118 A N 0.065 122.782 122.820 -0.171 0.000 1.969 118 A HA 0.055 4.354 4.320 -0.034 0.000 0.218 118 A C 2.497 179.976 177.584 -0.174 0.000 1.169 118 A CA 2.245 54.103 52.037 -0.299 0.000 0.635 118 A CB -0.515 18.177 19.000 -0.513 0.000 0.810 118 A HN 0.283 nan 8.150 nan 0.000 0.445 119 T N 0.002 114.505 114.554 -0.086 0.000 2.894 119 T HA 0.058 4.388 4.350 -0.034 0.000 0.258 119 T C 1.784 176.449 174.700 -0.058 0.000 1.043 119 T CA 1.099 63.158 62.100 -0.069 0.000 1.141 119 T CB -0.299 68.554 68.868 -0.026 0.000 0.873 119 T HN 0.403 nan 8.240 nan 0.000 0.449 120 I N 1.421 121.971 120.570 -0.033 0.000 2.208 120 I HA -0.198 3.951 4.170 -0.034 0.000 0.245 120 I C 2.688 178.784 176.117 -0.035 0.000 1.097 120 I CA 1.117 62.407 61.300 -0.016 0.000 1.363 120 I CB -0.753 37.251 38.000 0.005 0.000 1.051 120 I HN 0.239 nan 8.210 nan 0.000 0.413 121 T N 0.854 115.370 114.554 -0.063 0.000 2.684 121 T HA -0.209 4.121 4.350 -0.034 0.000 0.267 121 T C 1.991 176.651 174.700 -0.067 0.000 1.036 121 T CA 1.690 63.746 62.100 -0.072 0.000 1.148 121 T CB -0.303 68.495 68.868 -0.116 0.000 0.863 121 T HN 0.513 nan 8.240 nan 0.000 0.436 122 A N 0.977 123.743 122.820 -0.088 0.000 2.015 122 A HA 0.293 4.593 4.320 -0.034 0.000 0.219 122 A C 2.568 180.112 177.584 -0.067 0.000 1.163 122 A CA 1.558 53.540 52.037 -0.091 0.000 0.646 122 A CB -0.831 18.088 19.000 -0.134 0.000 0.806 122 A HN 0.501 nan 8.150 nan 0.000 0.448 123 A N -0.818 121.971 122.820 -0.051 0.000 1.877 123 A HA -0.176 4.124 4.320 -0.034 0.000 0.216 123 A C 2.140 179.727 177.584 0.005 0.000 1.186 123 A CA 2.013 54.032 52.037 -0.030 0.000 0.620 123 A CB -0.511 18.481 19.000 -0.014 0.000 0.822 123 A HN 0.480 nan 8.150 nan 0.000 0.443 124 Q N -0.135 119.669 119.800 0.006 0.000 2.002 124 Q HA -0.178 4.142 4.340 -0.034 0.000 0.204 124 Q C 2.000 178.015 176.000 0.025 0.000 0.988 124 Q CA 2.322 58.139 55.803 0.022 0.000 0.843 124 Q CB -1.022 27.721 28.738 0.008 0.000 0.908 124 Q HN 0.685 nan 8.270 nan 0.000 0.420 125 C N 0.278 119.581 119.300 0.004 0.000 2.402 125 C HA -0.069 4.371 4.460 -0.034 0.000 0.301 125 C C 2.178 177.180 174.990 0.019 0.000 1.455 125 C CA 0.088 59.109 59.018 0.006 0.000 1.787 125 C CB -1.345 26.389 27.740 -0.010 0.000 1.726 125 C HN 0.432 nan 8.230 nan 0.000 0.565 126 L N 0.989 122.230 121.223 0.030 0.000 2.316 126 L HA 0.271 4.591 4.340 -0.034 0.000 0.207 126 L C 2.012 178.970 176.870 0.146 0.000 1.070 126 L CA 1.479 56.351 54.840 0.054 0.000 0.820 126 L CB -0.609 41.452 42.059 0.004 0.000 0.992 126 L HN 0.445 nan 8.230 nan 0.000 0.466 127 I N -4.368 116.300 120.570 0.163 0.000 3.810 127 I HA 0.175 4.324 4.170 -0.034 0.000 0.322 127 I C 0.070 176.239 176.117 0.086 0.000 1.288 127 I CA 0.318 61.736 61.300 0.198 0.000 1.143 127 I CB -0.242 37.894 38.000 0.228 0.000 1.012 127 I HN -0.009 nan 8.210 nan 0.000 0.423 128 D N 1.471 121.910 120.400 0.064 0.000 2.440 128 D HA 0.266 4.885 4.640 -0.034 0.000 0.216 128 D C 1.736 178.054 176.300 0.031 0.000 1.150 128 D CA 0.806 54.828 54.000 0.035 0.000 0.832 128 D CB 0.881 41.697 40.800 0.026 0.000 0.992 128 D HN 0.458 nan 8.370 nan 0.000 0.502 129 G N 1.337 110.163 108.800 0.043 0.000 2.205 129 G HA2 -0.459 3.481 3.960 -0.034 0.000 0.269 129 G HA3 -0.459 3.481 3.960 -0.034 0.000 0.269 129 G C 1.195 176.112 174.900 0.029 0.000 0.977 129 G CA 0.856 45.977 45.100 0.036 0.000 0.652 129 G HN 0.440 nan 8.290 nan 0.000 0.539 130 M N 0.235 119.851 119.600 0.027 0.000 2.617 130 M HA 0.141 4.601 4.480 -0.034 0.000 0.258 130 M C 1.126 177.438 176.300 0.019 0.000 1.067 130 M CA 1.870 57.182 55.300 0.020 0.000 1.057 130 M CB -0.420 32.191 32.600 0.017 0.000 1.397 130 M HN 1.187 nan 8.290 nan 0.000 0.499 131 C N -4.234 115.080 119.300 0.023 0.000 2.849 131 C HA 0.256 4.695 4.460 -0.034 0.000 0.321 131 C C 0.148 175.153 174.990 0.024 0.000 1.245 131 C CA -1.268 57.761 59.018 0.018 0.000 1.176 131 C CB 0.851 28.596 27.740 0.008 0.000 1.317 131 C HN 0.277 nan 8.230 nan 0.000 0.479 132 K N 0.084 120.494 120.400 0.016 0.000 2.367 132 K HA 0.604 4.904 4.320 -0.034 0.000 0.194 132 K C -0.210 176.384 176.600 -0.010 0.000 1.027 132 K CA 0.502 56.802 56.287 0.021 0.000 1.075 132 K CB 0.470 32.983 32.500 0.022 0.000 0.845 132 K HN 0.699 nan 8.250 nan 0.000 0.529 133 V N 0.727 120.623 119.914 -0.030 0.000 2.655 133 V HA 0.599 4.699 4.120 -0.034 0.000 0.301 133 V C -1.341 174.702 176.094 -0.085 0.000 1.082 133 V CA -1.135 61.123 62.300 -0.069 0.000 0.899 133 V CB 1.644 33.420 31.823 -0.078 0.000 1.014 133 V HN 0.077 nan 8.190 nan 0.000 0.429 134 A N 6.159 128.905 122.820 -0.124 0.000 2.337 134 A HA 0.971 5.271 4.320 -0.034 0.000 0.329 134 A C -0.888 176.543 177.584 -0.255 0.000 1.146 134 A CA -0.551 51.398 52.037 -0.146 0.000 0.800 134 A CB 1.066 19.994 19.000 -0.121 0.000 1.220 134 A HN 0.751 nan 8.150 nan 0.000 0.472 135 I N 1.664 122.042 120.570 -0.319 0.000 2.509 135 I HA 0.408 4.558 4.170 -0.034 0.000 0.293 135 I C -0.573 175.202 176.117 -0.570 0.000 1.020 135 I CA -0.649 60.310 61.300 -0.569 0.000 1.088 135 I CB 2.389 39.973 38.000 -0.693 0.000 1.267 135 I HN 0.690 nan 8.210 nan 0.000 0.430 136 N N 4.652 122.966 118.700 -0.644 0.000 2.751 136 N HA 0.189 4.909 4.740 -0.034 0.000 0.238 136 N C -0.270 174.993 175.510 -0.412 0.000 1.351 136 N CA -0.596 52.209 53.050 -0.408 0.000 0.751 136 N CB 0.411 38.761 38.487 -0.229 0.000 1.342 136 N HN 0.589 nan 8.380 nan 0.000 0.540 137 W N 1.335 122.395 121.300 -0.400 0.000 2.392 137 W HA -0.037 4.603 4.660 -0.034 0.000 0.279 137 W C 1.704 177.909 176.519 -0.524 0.000 1.225 137 W CA 0.292 57.249 57.345 -0.647 0.000 1.233 137 W CB 0.243 29.309 29.460 -0.657 0.000 1.122 137 W HN 0.394 nan 8.180 nan 0.000 0.561 138 S N -0.355 115.311 115.700 -0.056 0.000 2.555 138 S HA 0.089 4.539 4.470 -0.034 0.000 0.230 138 S C 0.999 175.524 174.600 -0.126 0.000 0.978 138 S CA 0.551 58.712 58.200 -0.064 0.000 0.934 138 S CB -0.464 62.643 63.200 -0.155 0.000 0.766 138 S HN 0.218 nan 8.310 nan 0.000 0.533 139 G N -1.007 107.678 108.800 -0.191 0.000 2.491 139 G HA2 0.543 4.483 3.960 -0.034 0.000 0.327 139 G HA3 0.543 4.483 3.960 -0.034 0.000 0.327 139 G C 0.515 175.147 174.900 -0.446 0.000 1.189 139 G CA -0.160 44.786 45.100 -0.258 0.000 0.956 139 G HN 0.379 nan 8.290 nan 0.000 0.491 140 G N -2.024 106.522 108.800 -0.425 0.000 2.902 140 G HA2 -0.163 3.776 3.960 -0.034 0.000 0.215 140 G HA3 -0.163 3.776 3.960 -0.034 0.000 0.215 140 G C 0.165 174.851 174.900 -0.356 0.000 0.976 140 G CA -0.693 44.169 45.100 -0.397 0.000 0.794 140 G HN 0.577 nan 8.290 nan 0.000 0.557 141 W N 3.227 124.561 121.300 0.057 0.000 2.879 141 W HA 0.345 4.985 4.660 -0.033 0.000 0.388 141 W C 1.677 178.277 176.519 0.136 0.000 1.315 141 W CA 0.370 57.790 57.345 0.124 0.000 1.400 141 W CB -0.316 29.292 29.460 0.246 0.000 1.537 141 W HN 0.563 nan 8.180 nan 0.000 0.554 142 H N -0.918 118.270 119.070 0.196 0.000 2.622 142 H HA 0.076 4.612 4.556 -0.034 0.000 0.269 142 H C 1.292 176.569 175.328 -0.084 0.000 0.977 142 H CA -0.180 55.860 56.048 -0.013 0.000 1.179 142 H CB 0.190 29.917 29.762 -0.058 0.000 1.458 142 H HN 0.473 nan 8.280 nan 0.000 0.531 143 H N 1.577 120.913 119.070 0.443 0.000 2.535 143 H HA 0.271 4.807 4.556 -0.033 0.000 0.273 143 H C 1.058 176.469 175.328 0.138 0.000 0.983 143 H CA 0.512 56.660 56.048 0.167 0.000 1.238 143 H CB 0.037 29.930 29.762 0.218 0.000 1.412 143 H HN 0.431 nan 8.280 nan 0.000 0.562 144 A N 2.325 125.334 122.820 0.314 0.000 2.548 144 A HA 0.096 4.396 4.320 -0.034 0.000 0.247 144 A C 0.446 178.232 177.584 0.338 0.000 1.067 144 A CA 0.185 52.407 52.037 0.309 0.000 0.757 144 A CB 0.094 19.356 19.000 0.438 0.000 0.996 144 A HN 0.269 nan 8.150 nan 0.000 0.504 145 K N 1.584 122.126 120.400 0.236 0.000 2.106 145 K HA 0.224 4.524 4.320 -0.034 0.000 0.246 145 K C 1.183 177.830 176.600 0.079 0.000 0.987 145 K CA -0.468 55.929 56.287 0.183 0.000 0.904 145 K CB 1.463 33.972 32.500 0.015 0.000 1.071 145 K HN 0.772 nan 8.250 nan 0.000 0.453 146 K N 1.088 121.326 120.400 -0.269 0.000 2.144 146 K HA -0.238 4.062 4.320 -0.034 0.000 0.209 146 K C 0.024 176.436 176.600 -0.313 0.000 1.047 146 K CA 2.566 58.316 56.287 -0.895 0.000 0.927 146 K CB -0.049 32.025 32.500 -0.710 0.000 0.716 146 K HN 0.747 nan 8.250 nan 0.000 0.454 147 D N -0.832 119.420 120.400 -0.247 0.000 3.007 147 D HA 0.162 4.782 4.640 -0.034 0.000 0.363 147 D C -1.149 174.825 176.300 -0.544 0.000 1.474 147 D CA -0.498 53.322 54.000 -0.299 0.000 0.767 147 D CB 0.132 40.918 40.800 -0.023 0.000 1.227 147 D HN 0.397 nan 8.370 nan 0.000 0.471 148 E N 0.402 120.157 120.200 -0.742 0.000 2.406 148 E HA 0.513 4.842 4.350 -0.034 0.000 0.297 148 E C -1.448 174.947 176.600 -0.342 0.000 0.917 148 E CA -0.752 55.352 56.400 -0.494 0.000 0.795 148 E CB 1.596 31.169 29.700 -0.211 0.000 1.285 148 E HN 0.171 nan 8.360 nan 0.000 0.400 149 A N 2.927 125.603 122.820 -0.241 0.000 2.450 149 A HA 0.520 4.819 4.320 -0.034 0.000 0.255 149 A C -0.192 177.290 177.584 -0.170 0.000 1.096 149 A CA 0.213 52.164 52.037 -0.145 0.000 0.778 149 A CB 1.037 19.937 19.000 -0.166 0.000 1.031 149 A HN 0.358 nan 8.150 nan 0.000 0.494 150 S N 1.118 116.735 115.700 -0.139 0.000 2.536 150 S HA 0.565 5.015 4.470 -0.034 0.000 0.271 150 S C 0.362 174.888 174.600 -0.124 0.000 1.134 150 S CA 0.362 58.497 58.200 -0.108 0.000 0.897 150 S CB 1.053 64.261 63.200 0.014 0.000 1.094 150 S HN 2.522 nan 8.310 nan 0.000 0.473 151 G N 3.089 111.659 108.800 -0.383 0.000 2.412 151 G HA2 -0.236 3.704 3.960 -0.034 0.000 0.297 151 G HA3 -0.236 3.704 3.960 -0.034 0.000 0.297 151 G C 0.392 174.960 174.900 -0.553 0.000 0.965 151 G CA 0.688 45.314 45.100 -0.791 0.000 1.134 151 G HN 1.326 nan 8.290 nan 0.000 0.511 152 F N -4.029 115.689 119.950 -0.387 0.000 2.794 152 F HA -0.244 4.263 4.527 -0.034 0.000 0.335 152 F C 1.392 176.811 175.800 -0.636 0.000 0.653 152 F CA -0.204 57.503 58.000 -0.488 0.000 1.266 152 F CB -2.232 36.516 39.000 -0.420 0.000 1.666 152 F HN 0.574 nan 8.300 nan 0.000 0.314 153 C N 0.675 119.822 119.300 -0.255 0.000 2.281 153 C HA 0.557 4.997 4.460 -0.034 0.000 0.325 153 C C 1.486 176.382 174.990 -0.156 0.000 1.282 153 C CA -0.395 58.565 59.018 -0.097 0.000 1.640 153 C CB -0.085 27.837 27.740 0.303 0.000 2.288 153 C HN 0.325 nan 8.230 nan 0.000 0.507 154 Y N 1.379 121.723 120.300 0.074 0.000 2.481 154 Y HA 0.455 4.984 4.550 -0.034 0.000 0.258 154 Y C 0.457 176.480 175.900 0.206 0.000 1.103 154 Y CA -0.064 58.126 58.100 0.150 0.000 1.287 154 Y CB 0.110 38.618 38.460 0.080 0.000 1.108 154 Y HN 0.528 nan 8.280 nan 0.000 0.529 155 L N -0.226 121.244 121.223 0.412 0.000 2.424 155 L HA 0.431 4.751 4.340 -0.034 0.000 0.258 155 L C -0.908 176.311 176.870 0.581 0.000 0.995 155 L CA -0.596 54.498 54.840 0.423 0.000 0.821 155 L CB 1.863 44.147 42.059 0.376 0.000 1.383 155 L HN -0.146 nan 8.230 nan 0.000 0.410 156 N N 2.188 121.325 118.700 0.728 0.000 3.194 156 N HA 0.062 4.782 4.740 -0.034 0.000 0.271 156 N C 0.316 175.961 175.510 0.225 0.000 1.308 156 N CA 0.033 53.309 53.050 0.377 0.000 1.042 156 N CB 0.420 38.974 38.487 0.111 0.000 1.310 156 N HN 0.807 nan 8.380 nan 0.000 0.502 157 D N 0.762 121.325 120.400 0.271 0.000 2.239 157 D HA -0.234 4.386 4.640 -0.034 0.000 0.202 157 D C 1.223 177.562 176.300 0.065 0.000 0.993 157 D CA 0.896 54.996 54.000 0.167 0.000 0.874 157 D CB 0.108 41.006 40.800 0.163 0.000 0.922 157 D HN 0.365 nan 8.370 nan 0.000 0.464 158 A N 0.994 123.833 122.820 0.031 0.000 1.873 158 A HA -0.024 4.275 4.320 -0.034 0.000 0.215 158 A C 2.722 180.249 177.584 -0.095 0.000 1.186 158 A CA 1.456 53.471 52.037 -0.036 0.000 0.616 158 A CB -0.752 18.202 19.000 -0.077 0.000 0.823 158 A HN 0.196 nan 8.150 nan 0.000 0.442 159 V N 0.482 120.291 119.914 -0.175 0.000 2.295 159 V HA -0.265 3.834 4.120 -0.034 0.000 0.246 159 V C 2.562 178.621 176.094 -0.057 0.000 1.049 159 V CA 1.932 64.110 62.300 -0.204 0.000 1.024 159 V CB -0.911 30.391 31.823 -0.868 0.000 0.648 159 V HN 0.566 nan 8.190 nan 0.000 0.447 160 L N 0.458 121.662 121.223 -0.032 0.000 2.081 160 L HA -0.160 4.160 4.340 -0.034 0.000 0.212 160 L C 2.549 179.450 176.870 0.052 0.000 1.080 160 L CA 1.810 56.687 54.840 0.063 0.000 0.754 160 L CB -1.120 41.009 42.059 0.116 0.000 0.893 160 L HN 0.509 nan 8.230 nan 0.000 0.433 161 G N 0.124 108.938 108.800 0.023 0.000 2.396 161 G HA2 -0.123 3.817 3.960 -0.034 0.000 0.214 161 G HA3 -0.123 3.817 3.960 -0.034 0.000 0.214 161 G C 1.572 176.473 174.900 0.001 0.000 1.166 161 G CA 0.313 45.416 45.100 0.005 0.000 0.793 161 G HN 0.276 nan 8.290 nan 0.000 0.533 162 I N 0.647 121.214 120.570 -0.005 0.000 2.286 162 I HA -0.118 4.031 4.170 -0.034 0.000 0.248 162 I C 2.505 178.644 176.117 0.036 0.000 1.115 162 I CA 0.686 61.960 61.300 -0.044 0.000 1.392 162 I CB -0.188 37.706 38.000 -0.176 0.000 1.065 162 I HN 0.095 nan 8.210 nan 0.000 0.418 163 L N 0.299 121.595 121.223 0.121 0.000 2.362 163 L HA -0.145 4.175 4.340 -0.034 0.000 0.219 163 L C 2.581 179.515 176.870 0.107 0.000 1.134 163 L CA 0.711 55.641 54.840 0.150 0.000 0.807 163 L CB -0.424 41.731 42.059 0.161 0.000 0.927 163 L HN 0.222 nan 8.230 nan 0.000 0.447 164 R N 0.544 121.091 120.500 0.079 0.000 2.173 164 R HA 0.017 4.337 4.340 -0.034 0.000 0.208 164 R C 1.948 178.304 176.300 0.093 0.000 1.035 164 R CA 1.032 57.176 56.100 0.075 0.000 1.004 164 R CB -0.274 30.056 30.300 0.052 0.000 0.917 164 R HN 0.245 nan 8.270 nan 0.000 0.462 165 L N -0.007 121.262 121.223 0.075 0.000 2.240 165 L HA 0.051 4.371 4.340 -0.034 0.000 0.211 165 L C 1.865 178.869 176.870 0.222 0.000 1.106 165 L CA 0.501 55.409 54.840 0.113 0.000 0.793 165 L CB -0.303 41.707 42.059 -0.082 0.000 0.927 165 L HN 0.058 nan 8.230 nan 0.000 0.446 166 R N 0.662 121.249 120.500 0.145 0.000 2.377 166 R HA -0.079 4.241 4.340 -0.034 0.000 0.207 166 R C 1.989 178.375 176.300 0.143 0.000 1.075 166 R CA 0.690 56.881 56.100 0.152 0.000 1.035 166 R CB -0.330 30.049 30.300 0.131 0.000 0.857 166 R HN 0.457 nan 8.270 nan 0.000 0.475 167 R N -0.818 119.768 120.500 0.144 0.000 2.112 167 R HA 0.010 4.330 4.340 -0.034 0.000 0.216 167 R C 1.665 178.010 176.300 0.074 0.000 1.080 167 R CA 0.806 56.965 56.100 0.099 0.000 0.996 167 R CB 0.119 30.470 30.300 0.085 0.000 0.902 167 R HN -0.122 nan 8.270 nan 0.000 0.449 168 K N -0.816 119.654 120.400 0.117 0.000 2.370 168 K HA 0.186 4.486 4.320 -0.034 0.000 0.194 168 K C -0.571 175.864 176.600 -0.275 0.000 1.070 168 K CA 0.350 56.590 56.287 -0.079 0.000 0.998 168 K CB 0.613 33.035 32.500 -0.130 0.000 0.911 168 K HN -0.154 nan 8.250 nan 0.000 0.533 169 F N 0.382 120.343 119.950 0.018 0.000 2.507 169 F HA 0.365 4.870 4.527 -0.037 0.000 0.327 169 F C 1.114 176.925 175.800 0.018 0.000 1.068 169 F CA -0.865 57.145 58.000 0.017 0.000 0.965 169 F CB 1.661 40.677 39.000 0.027 0.000 1.192 169 F HN -0.186 nan 8.300 nan 0.000 0.476 170 E N 0.838 121.143 120.200 0.175 0.000 2.431 170 E HA 0.156 4.486 4.350 -0.034 0.000 0.200 170 E C -0.045 176.613 176.600 0.098 0.000 0.995 170 E CA 0.384 56.842 56.400 0.097 0.000 0.915 170 E CB 0.511 30.228 29.700 0.028 0.000 0.930 170 E HN 0.512 nan 8.360 nan 0.000 0.496 171 R N 0.610 121.184 120.500 0.124 0.000 2.569 171 R HA 0.367 4.687 4.340 -0.034 0.000 0.293 171 R C -1.104 175.355 176.300 0.265 0.000 1.186 171 R CA -0.478 55.703 56.100 0.135 0.000 0.956 171 R CB 1.154 31.252 30.300 -0.337 0.000 1.196 171 R HN -0.125 nan 8.270 nan 0.000 0.444 172 I N 3.386 124.120 120.570 0.272 0.000 2.359 172 I HA 0.285 4.435 4.170 -0.034 0.000 0.294 172 I C -0.500 175.726 176.117 0.182 0.000 0.987 172 I CA -0.729 60.652 61.300 0.136 0.000 1.225 172 I CB 1.480 39.453 38.000 -0.045 0.000 1.366 172 I HN 0.362 nan 8.210 nan 0.000 0.466 173 L N 7.779 129.104 121.223 0.170 0.000 2.280 173 L HA 0.449 4.768 4.340 -0.034 0.000 0.287 173 L C -1.317 175.608 176.870 0.091 0.000 1.023 173 L CA -0.376 54.527 54.840 0.106 0.000 0.819 173 L CB 0.598 42.779 42.059 0.202 0.000 1.212 173 L HN 0.501 nan 8.230 nan 0.000 0.420 174 Y N 5.091 125.350 120.300 -0.069 0.000 2.326 174 Y HA 0.635 5.164 4.550 -0.034 0.000 0.337 174 Y C -0.988 174.922 175.900 0.017 0.000 1.023 174 Y CA -0.638 57.435 58.100 -0.045 0.000 1.143 174 Y CB 1.379 39.790 38.460 -0.081 0.000 1.183 174 Y HN 0.368 nan 8.280 nan 0.000 0.485 175 V N 6.987 126.599 119.914 -0.503 0.000 2.349 175 V HA 0.173 4.273 4.120 -0.034 0.000 0.284 175 V C -0.761 175.047 176.094 -0.477 0.000 1.014 175 V CA -0.921 61.183 62.300 -0.328 0.000 0.826 175 V CB 1.261 33.030 31.823 -0.090 0.000 1.009 175 V HN 0.715 nan 8.190 nan 0.000 0.431 176 D N 4.753 124.930 120.400 -0.372 0.000 2.380 176 D HA 0.324 4.944 4.640 -0.034 0.000 0.230 176 D C 0.404 176.775 176.300 0.118 0.000 1.154 176 D CA -0.111 53.806 54.000 -0.140 0.000 0.859 176 D CB 1.631 42.485 40.800 0.091 0.000 1.045 176 D HN 0.454 nan 8.370 nan 0.000 0.495 177 L N 3.056 124.364 121.223 0.142 0.000 2.700 177 L HA 0.190 4.510 4.340 -0.034 0.000 0.234 177 L C 0.785 177.821 176.870 0.277 0.000 1.156 177 L CA -0.344 54.652 54.840 0.261 0.000 0.946 177 L CB 0.214 42.413 42.059 0.234 0.000 1.216 177 L HN 0.295 nan 8.230 nan 0.000 0.493 178 D N -0.176 120.390 120.400 0.276 0.000 2.368 178 D HA -0.019 4.600 4.640 -0.034 0.000 0.240 178 D C 1.101 177.567 176.300 0.276 0.000 1.169 178 D CA -0.191 53.983 54.000 0.291 0.000 0.906 178 D CB 1.171 42.206 40.800 0.391 0.000 1.187 178 D HN -0.068 nan 8.370 nan 0.000 0.435 179 L N 1.998 123.308 121.223 0.145 0.000 2.265 179 L HA 0.022 4.342 4.340 -0.034 0.000 0.215 179 L C -0.085 176.739 176.870 -0.077 0.000 1.117 179 L CA 1.667 56.405 54.840 -0.170 0.000 0.782 179 L CB -0.592 41.260 42.059 -0.345 0.000 0.914 179 L HN 0.449 nan 8.230 nan 0.000 0.441 180 H N -1.550 117.754 119.070 0.390 0.000 2.502 180 H HA 0.277 4.813 4.556 -0.034 0.000 0.338 180 H C -0.386 175.085 175.328 0.237 0.000 1.155 180 H CA -0.615 55.652 56.048 0.364 0.000 1.237 180 H CB 0.483 30.493 29.762 0.413 0.000 1.534 180 H HN 0.102 nan 8.280 nan 0.000 0.523 181 H N 1.472 120.529 119.070 -0.022 0.000 3.107 181 H HA -0.002 4.533 4.556 -0.035 0.000 0.301 181 H C 0.396 175.505 175.328 -0.365 0.000 0.981 181 H CA -0.269 55.498 56.048 -0.468 0.000 1.443 181 H CB 0.401 29.738 29.762 -0.707 0.000 1.479 181 H HN 0.951 nan 8.280 nan 0.000 0.564 182 G N 5.420 113.902 108.800 -0.529 0.000 3.008 182 G HA2 -0.110 3.830 3.960 -0.034 0.000 0.272 182 G HA3 -0.110 3.830 3.960 -0.034 0.000 0.272 182 G C 0.932 175.385 174.900 -0.746 0.000 0.764 182 G CA -0.090 44.650 45.100 -0.600 0.000 2.029 182 G HN 0.834 nan 8.290 nan 0.000 0.587 183 D N 1.747 121.615 120.400 -0.886 0.000 2.075 183 D HA -0.134 4.486 4.640 -0.034 0.000 0.196 183 D C 2.390 178.545 176.300 -0.242 0.000 0.985 183 D CA 1.176 54.824 54.000 -0.587 0.000 0.834 183 D CB -1.028 39.605 40.800 -0.277 0.000 0.987 183 D HN 0.268 nan 8.370 nan 0.000 0.452 184 G N 0.871 109.584 108.800 -0.145 0.000 2.606 184 G HA2 -0.304 3.635 3.960 -0.034 0.000 0.221 184 G HA3 -0.304 3.635 3.960 -0.034 0.000 0.221 184 G C 1.911 176.738 174.900 -0.121 0.000 1.152 184 G CA 2.257 47.332 45.100 -0.042 0.000 0.765 184 G HN 0.339 nan 8.290 nan 0.000 0.595 185 V N 0.651 120.452 119.914 -0.188 0.000 2.453 185 V HA -0.106 3.994 4.120 -0.034 0.000 0.247 185 V C 2.492 178.545 176.094 -0.068 0.000 1.048 185 V CA 2.141 64.293 62.300 -0.247 0.000 1.049 185 V CB -0.433 31.035 31.823 -0.591 0.000 0.672 185 V HN 0.631 nan 8.190 nan 0.000 0.457 186 E N 0.749 120.908 120.200 -0.068 0.000 2.038 186 E HA -0.290 4.039 4.350 -0.034 0.000 0.195 186 E C 1.820 178.460 176.600 0.067 0.000 1.000 186 E CA 1.932 58.355 56.400 0.039 0.000 0.803 186 E CB -0.143 29.559 29.700 0.002 0.000 0.750 186 E HN 0.631 nan 8.360 nan 0.000 0.448 187 D N 0.474 120.886 120.400 0.020 0.000 2.144 187 D HA -0.146 4.474 4.640 -0.034 0.000 0.199 187 D C 1.888 178.201 176.300 0.023 0.000 0.984 187 D CA 1.245 55.278 54.000 0.056 0.000 0.834 187 D CB -0.479 40.355 40.800 0.058 0.000 0.955 187 D HN 0.345 nan 8.370 nan 0.000 0.465 188 A N -0.074 122.677 122.820 -0.116 0.000 2.032 188 A HA -0.155 4.145 4.320 -0.034 0.000 0.221 188 A C 1.208 178.342 177.584 -0.749 0.000 1.165 188 A CA 1.138 52.914 52.037 -0.436 0.000 0.645 188 A CB -0.555 17.914 19.000 -0.885 0.000 0.807 188 A HN 0.280 nan 8.150 nan 0.000 0.453 189 F N -1.386 118.588 119.950 0.040 0.000 2.817 189 F HA 0.127 4.635 4.527 -0.032 0.000 0.319 189 F C 1.870 177.714 175.800 0.073 0.000 1.136 189 F CA 0.276 58.312 58.000 0.060 0.000 1.177 189 F CB -0.040 38.968 39.000 0.014 0.000 1.088 189 F HN 0.161 nan 8.300 nan 0.000 0.520 190 S N -0.563 115.250 115.700 0.190 0.000 2.442 190 S HA -0.162 4.288 4.470 -0.034 0.000 0.236 190 S C 1.355 175.907 174.600 -0.080 0.000 1.007 190 S CA 1.126 59.356 58.200 0.049 0.000 0.965 190 S CB -0.718 62.463 63.200 -0.032 0.000 0.773 190 S HN 0.353 nan 8.310 nan 0.000 0.504 191 F N 1.620 121.603 119.950 0.055 0.000 2.732 191 F HA 0.381 4.889 4.527 -0.032 0.000 0.303 191 F C 1.272 177.087 175.800 0.025 0.000 1.110 191 F CA -0.032 57.987 58.000 0.031 0.000 1.355 191 F CB 0.424 39.434 39.000 0.016 0.000 1.081 191 F HN 0.177 nan 8.300 nan 0.000 0.565 192 T N -1.362 113.295 114.554 0.172 0.000 2.912 192 T HA 0.318 4.648 4.350 -0.034 0.000 0.288 192 T C 0.905 175.566 174.700 -0.066 0.000 1.030 192 T CA -0.279 61.879 62.100 0.097 0.000 1.020 192 T CB 1.381 70.373 68.868 0.206 0.000 1.056 192 T HN 0.049 nan 8.240 nan 0.000 0.480 193 S N 2.107 117.674 115.700 -0.221 0.000 2.539 193 S HA 0.212 4.661 4.470 -0.034 0.000 0.221 193 S C 1.288 175.910 174.600 0.036 0.000 0.987 193 S CA -0.487 57.332 58.200 -0.635 0.000 0.929 193 S CB 0.080 62.737 63.200 -0.905 0.000 0.832 193 S HN 0.545 nan 8.310 nan 0.000 0.492 194 K N 1.337 121.809 120.400 0.121 0.000 2.305 194 K HA 0.325 4.625 4.320 -0.034 0.000 0.199 194 K C 0.079 176.858 176.600 0.299 0.000 1.047 194 K CA 0.277 56.696 56.287 0.219 0.000 0.976 194 K CB -0.025 32.559 32.500 0.141 0.000 0.765 194 K HN 0.329 nan 8.250 nan 0.000 0.474 195 V N 2.157 122.172 119.914 0.169 0.000 2.482 195 V HA 0.331 4.431 4.120 -0.034 0.000 0.295 195 V C -0.866 175.178 176.094 -0.083 0.000 1.026 195 V CA -0.651 61.619 62.300 -0.050 0.000 0.856 195 V CB 1.883 33.358 31.823 -0.580 0.000 1.001 195 V HN 0.116 nan 8.190 nan 0.000 0.424 196 M N 5.521 124.940 119.600 -0.302 0.000 2.129 196 M HA 0.512 4.972 4.480 -0.034 0.000 0.348 196 M C -0.001 176.201 176.300 -0.164 0.000 1.116 196 M CA -0.252 54.832 55.300 -0.361 0.000 1.022 196 M CB 1.468 33.473 32.600 -0.992 0.000 1.599 196 M HN 0.763 nan 8.290 nan 0.000 0.449 197 T N 2.807 117.362 114.554 0.001 0.000 2.743 197 T HA 0.582 4.912 4.350 -0.034 0.000 0.292 197 T C -0.463 174.313 174.700 0.127 0.000 0.972 197 T CA -0.772 61.414 62.100 0.144 0.000 0.967 197 T CB 0.679 69.686 68.868 0.231 0.000 0.926 197 T HN 0.424 nan 8.240 nan 0.000 0.459 198 V N 3.397 123.376 119.914 0.108 0.000 2.472 198 V HA 0.736 4.835 4.120 -0.034 0.000 0.290 198 V C 0.238 176.415 176.094 0.138 0.000 1.037 198 V CA -0.680 61.679 62.300 0.097 0.000 0.908 198 V CB 1.639 33.500 31.823 0.063 0.000 0.985 198 V HN 1.044 nan 8.190 nan 0.000 0.454 199 S N 5.010 120.841 115.700 0.218 0.000 2.776 199 S HA 0.649 5.099 4.470 -0.034 0.000 0.284 199 S C -1.307 173.540 174.600 0.410 0.000 1.160 199 S CA -0.488 57.920 58.200 0.347 0.000 1.051 199 S CB 0.723 64.204 63.200 0.469 0.000 1.037 199 S HN 0.447 nan 8.310 nan 0.000 0.485 200 L N 7.706 129.108 121.223 0.298 0.000 2.264 200 L HA 0.636 4.955 4.340 -0.034 0.000 0.289 200 L C 0.160 177.238 176.870 0.347 0.000 1.044 200 L CA 0.035 54.971 54.840 0.161 0.000 0.807 200 L CB 0.825 42.937 42.059 0.088 0.000 1.192 200 L HN 0.748 nan 8.230 nan 0.000 0.425 201 H N 1.726 121.006 119.070 0.350 0.000 3.112 201 H HA 0.260 4.795 4.556 -0.034 0.000 0.347 201 H C -0.998 174.574 175.328 0.407 0.000 1.188 201 H CA -1.136 55.130 56.048 0.363 0.000 1.240 201 H CB 1.129 31.079 29.762 0.313 0.000 1.920 201 H HN 0.474 nan 8.280 nan 0.000 0.535 202 K N 2.126 122.740 120.400 0.357 0.000 2.472 202 K HA 0.118 4.418 4.320 -0.034 0.000 0.280 202 K C -1.414 175.394 176.600 0.347 0.000 1.028 202 K CA -0.028 56.431 56.287 0.285 0.000 1.045 202 K CB 0.221 32.588 32.500 -0.221 0.000 0.902 202 K HN 0.373 nan 8.250 nan 0.000 0.478 203 F N 3.680 123.716 119.950 0.143 0.000 2.493 203 F HA 0.458 4.965 4.527 -0.033 0.000 0.329 203 F C -0.754 175.100 175.800 0.090 0.000 1.126 203 F CA -0.224 57.883 58.000 0.178 0.000 0.937 203 F CB 1.783 40.844 39.000 0.102 0.000 1.146 203 F HN 0.604 nan 8.300 nan 0.000 0.442 204 S N 5.861 121.660 115.700 0.165 0.000 2.578 204 S HA 0.630 5.080 4.470 -0.034 0.000 0.272 204 S C -3.213 171.438 174.600 0.085 0.000 1.145 204 S CA -1.062 57.266 58.200 0.213 0.000 0.835 204 S CB 1.713 64.973 63.200 0.099 0.000 1.104 204 S HN 0.338 nan 8.310 nan 0.000 0.458 205 P HA 0.466 nan 4.420 nan 0.000 0.281 205 P C 0.670 178.023 177.300 0.087 0.000 1.252 205 P CA 0.968 64.117 63.100 0.082 0.000 0.778 205 P CB 0.819 32.580 31.700 0.101 0.000 0.895 206 G N 2.365 111.202 108.800 0.062 0.000 2.195 206 G HA2 -0.261 3.679 3.960 -0.034 0.000 0.246 206 G HA3 -0.261 3.679 3.960 -0.034 0.000 0.246 206 G C -0.146 174.833 174.900 0.133 0.000 0.984 206 G CA -0.472 44.676 45.100 0.080 0.000 0.633 206 G HN 0.515 nan 8.290 nan 0.000 0.525 207 F N 2.264 122.208 119.950 -0.011 0.000 2.385 207 F HA 0.706 5.212 4.527 -0.034 0.000 0.360 207 F C 0.455 176.270 175.800 0.026 0.000 1.122 207 F CA -2.125 55.895 58.000 0.033 0.000 1.090 207 F CB 0.329 39.346 39.000 0.029 0.000 1.150 207 F HN 0.171 nan 8.300 nan 0.000 0.472 208 F N 9.420 129.025 119.950 -0.575 0.000 2.635 208 F HA 0.146 4.653 4.527 -0.033 0.000 0.379 208 F C -1.395 174.194 175.800 -0.351 0.000 1.094 208 F CA -1.084 56.619 58.000 -0.495 0.000 1.300 208 F CB 0.721 39.363 39.000 -0.596 0.000 1.035 208 F HN 0.432 nan 8.300 nan 0.000 0.581 209 P HA 0.162 nan 4.420 nan 0.000 0.255 209 P C 0.828 177.810 177.300 -0.529 0.000 1.248 209 P CA 1.133 63.403 63.100 -1.384 0.000 0.807 209 P CB 0.393 31.240 31.700 -1.422 0.000 1.150 210 G N 0.197 108.747 108.800 -0.416 0.000 2.267 210 G HA2 -0.283 3.657 3.960 -0.034 0.000 0.257 210 G HA3 -0.283 3.657 3.960 -0.034 0.000 0.257 210 G C 0.545 175.157 174.900 -0.480 0.000 0.998 210 G CA 0.805 45.665 45.100 -0.400 0.000 0.620 210 G HN 0.614 nan 8.290 nan 0.000 0.529 211 T N -2.144 112.217 114.554 -0.321 0.000 2.833 211 T HA 0.599 4.929 4.350 -0.034 0.000 0.292 211 T C 1.431 175.922 174.700 -0.348 0.000 1.031 211 T CA 0.645 62.632 62.100 -0.188 0.000 0.937 211 T CB 1.338 70.192 68.868 -0.024 0.000 1.256 211 T HN 2.212 nan 8.240 nan 0.000 0.551 212 G N 0.858 109.406 108.800 -0.420 0.000 2.417 212 G HA2 -0.087 3.853 3.960 -0.034 0.000 0.291 212 G HA3 -0.087 3.853 3.960 -0.034 0.000 0.291 212 G C -0.526 174.489 174.900 0.193 0.000 1.094 212 G CA 0.000 44.663 45.100 -0.728 0.000 1.146 212 G HN 1.015 nan 8.290 nan 0.000 0.519 213 D N -0.535 119.958 120.400 0.154 0.000 2.268 213 D HA 0.474 5.094 4.640 -0.034 0.000 0.249 213 D C 1.536 177.680 176.300 -0.260 0.000 1.008 213 D CA -0.100 53.744 54.000 -0.261 0.000 0.939 213 D CB 1.849 42.350 40.800 -0.498 0.000 1.170 213 D HN 0.307 nan 8.370 nan 0.000 0.468 214 V N 2.941 122.629 119.914 -0.378 0.000 2.439 214 V HA -0.292 3.808 4.120 -0.034 0.000 0.253 214 V C 2.017 177.778 176.094 -0.555 0.000 1.074 214 V CA 3.257 65.301 62.300 -0.428 0.000 1.076 214 V CB -0.547 30.966 31.823 -0.516 0.000 0.664 214 V HN 0.694 nan 8.190 nan 0.000 0.461 215 S N -0.465 114.950 115.700 -0.475 0.000 2.356 215 S HA -0.171 4.279 4.470 -0.034 0.000 0.223 215 S C 1.148 175.630 174.600 -0.196 0.000 1.032 215 S CA 0.848 58.843 58.200 -0.343 0.000 1.005 215 S CB -0.658 62.457 63.200 -0.141 0.000 0.867 215 S HN 0.745 nan 8.310 nan 0.000 0.449 216 D N 2.147 122.457 120.400 -0.150 0.000 2.502 216 D HA 0.071 4.691 4.640 -0.034 0.000 0.249 216 D C 0.539 176.782 176.300 -0.095 0.000 1.188 216 D CA 0.745 54.689 54.000 -0.094 0.000 0.890 216 D CB 0.764 41.533 40.800 -0.053 0.000 1.140 216 D HN 0.410 nan 8.370 nan 0.000 0.505 217 V N 1.174 121.017 119.914 -0.118 0.000 3.355 217 V HA 0.581 4.681 4.120 -0.034 0.000 0.330 217 V C 0.722 176.732 176.094 -0.140 0.000 1.479 217 V CA 0.265 62.489 62.300 -0.128 0.000 1.150 217 V CB -0.103 31.588 31.823 -0.220 0.000 1.044 217 V HN 0.851 nan 8.190 nan 0.000 0.501 218 G N 1.230 109.945 108.800 -0.141 0.000 2.728 218 G HA2 0.083 4.023 3.960 -0.034 0.000 0.294 218 G HA3 0.083 4.023 3.960 -0.034 0.000 0.294 218 G C -1.059 173.653 174.900 -0.314 0.000 1.342 218 G CA -0.165 44.814 45.100 -0.201 0.000 0.866 218 G HN 0.946 nan 8.290 nan 0.000 0.534 219 L N -0.856 120.063 121.223 -0.507 0.000 2.461 219 L HA 0.924 5.243 4.340 -0.034 0.000 0.242 219 L C 1.618 178.212 176.870 -0.461 0.000 1.143 219 L CA 0.307 54.830 54.840 -0.528 0.000 0.984 219 L CB -0.134 41.497 42.059 -0.715 0.000 1.573 219 L HN 2.765 nan 8.230 nan 0.000 0.404 220 G N 1.044 109.729 108.800 -0.193 0.000 2.622 220 G HA2 -0.373 3.567 3.960 -0.034 0.000 0.272 220 G HA3 -0.373 3.567 3.960 -0.034 0.000 0.272 220 G C 0.640 175.569 174.900 0.048 0.000 1.308 220 G CA 0.976 46.140 45.100 0.106 0.000 0.919 220 G HN 1.179 nan 8.290 nan 0.000 0.565 221 K N -0.447 120.001 120.400 0.080 0.000 2.520 221 K HA 0.171 4.471 4.320 -0.034 0.000 0.197 221 K C 1.882 178.431 176.600 -0.085 0.000 1.043 221 K CA 2.040 58.338 56.287 0.019 0.000 0.944 221 K CB -0.254 32.252 32.500 0.011 0.000 0.770 221 K HN 1.086 nan 8.250 nan 0.000 0.480 222 G N 1.314 110.071 108.800 -0.072 0.000 3.448 222 G HA2 -0.029 3.910 3.960 -0.034 0.000 0.261 222 G HA3 -0.029 3.910 3.960 -0.034 0.000 0.261 222 G C -0.334 174.588 174.900 0.037 0.000 1.173 222 G CA -0.681 44.349 45.100 -0.117 0.000 0.835 222 G HN 0.284 nan 8.290 nan 0.000 0.534 223 R N -0.365 120.173 120.500 0.064 0.000 2.489 223 R HA 0.239 4.559 4.340 -0.034 0.000 0.287 223 R C 0.207 176.663 176.300 0.259 0.000 1.053 223 R CA -0.001 56.102 56.100 0.005 0.000 1.036 223 R CB 0.055 30.322 30.300 -0.054 0.000 0.966 223 R HN 0.318 nan 8.270 nan 0.000 0.432 224 Y N 1.401 121.764 120.300 0.104 0.000 3.724 224 Y HA -0.330 4.204 4.550 -0.025 0.000 0.385 224 Y C 0.132 176.041 175.900 0.015 0.000 1.290 224 Y CA 1.400 59.509 58.100 0.015 0.000 1.965 224 Y CB -1.819 36.593 38.460 -0.080 0.000 0.866 224 Y HN 0.707 nan 8.280 nan 0.000 0.436 225 Y N 0.690 121.047 120.300 0.094 0.000 2.487 225 Y HA 0.452 4.986 4.550 -0.027 0.000 0.339 225 Y C 0.431 176.313 175.900 -0.030 0.000 1.191 225 Y CA 0.553 58.664 58.100 0.020 0.000 1.279 225 Y CB 0.282 38.770 38.460 0.047 0.000 1.122 225 Y HN -0.050 nan 8.280 nan 0.000 0.500 226 S N -0.008 115.753 115.700 0.101 0.000 2.733 226 S HA 0.569 5.019 4.470 -0.034 0.000 0.294 226 S C -0.667 173.962 174.600 0.048 0.000 1.149 226 S CA -0.719 57.524 58.200 0.071 0.000 1.034 226 S CB 1.265 64.502 63.200 0.063 0.000 1.015 226 S HN -0.092 nan 8.310 nan 0.000 0.486 227 V N 4.005 123.954 119.914 0.058 0.000 2.630 227 V HA 0.644 4.744 4.120 -0.034 0.000 0.305 227 V C -0.287 175.867 176.094 0.100 0.000 1.046 227 V CA -0.877 61.451 62.300 0.046 0.000 0.934 227 V CB 1.760 33.600 31.823 0.029 0.000 1.003 227 V HN 0.783 nan 8.190 nan 0.000 0.451 228 N N 1.748 120.481 118.700 0.056 0.000 2.478 228 N HA 0.397 5.117 4.740 -0.034 0.000 0.291 228 N C -1.376 174.120 175.510 -0.024 0.000 1.090 228 N CA -0.298 52.828 53.050 0.126 0.000 0.911 228 N CB 2.465 41.022 38.487 0.116 0.000 1.546 228 N HN 0.377 nan 8.380 nan 0.000 0.500 229 V N 3.634 123.502 119.914 -0.077 0.000 2.235 229 V HA 0.263 4.363 4.120 -0.034 0.000 0.266 229 V C -2.048 173.848 176.094 -0.331 0.000 1.055 229 V CA -1.440 60.743 62.300 -0.195 0.000 0.844 229 V CB 0.877 32.600 31.823 -0.166 0.000 1.097 229 V HN 0.446 nan 8.190 nan 0.000 0.453 230 P HA 0.226 nan 4.420 nan 0.000 0.264 230 P C -0.403 176.820 177.300 -0.128 0.000 1.229 230 P CA 0.476 63.448 63.100 -0.213 0.000 0.780 230 P CB 0.928 32.452 31.700 -0.294 0.000 0.808 231 I N 2.837 123.384 120.570 -0.039 0.000 2.648 231 I HA 0.301 4.450 4.170 -0.034 0.000 0.304 231 I C 0.855 177.009 176.117 0.061 0.000 1.009 231 I CA -1.066 60.208 61.300 -0.043 0.000 1.114 231 I CB 1.715 39.628 38.000 -0.145 0.000 1.293 231 I HN 0.203 nan 8.210 nan 0.000 0.449 232 Q N 2.183 121.974 119.800 -0.016 0.000 2.199 232 Q HA 0.347 4.667 4.340 -0.034 0.000 0.205 232 Q C -0.882 175.138 176.000 0.033 0.000 1.001 232 Q CA -0.684 55.133 55.803 0.023 0.000 1.019 232 Q CB 0.668 29.402 28.738 -0.007 0.000 1.132 232 Q HN 0.429 nan 8.270 nan 0.000 0.530 233 D N -0.610 119.813 120.400 0.039 0.000 2.362 233 D HA 0.202 4.821 4.640 -0.034 0.000 0.238 233 D C 1.003 177.312 176.300 0.015 0.000 1.212 233 D CA 1.294 55.337 54.000 0.071 0.000 0.902 233 D CB 0.527 41.345 40.800 0.030 0.000 1.180 233 D HN 0.728 nan 8.370 nan 0.000 0.445 234 G N 0.858 109.683 108.800 0.041 0.000 2.347 234 G HA2 -0.330 3.610 3.960 -0.034 0.000 0.247 234 G HA3 -0.330 3.610 3.960 -0.034 0.000 0.247 234 G C 0.702 175.563 174.900 -0.065 0.000 1.037 234 G CA 0.188 45.284 45.100 -0.006 0.000 0.622 234 G HN 0.623 nan 8.290 nan 0.000 0.521 235 I N 2.234 122.696 120.570 -0.179 0.000 3.089 235 I HA 0.026 4.175 4.170 -0.034 0.000 0.321 235 I C 0.780 176.828 176.117 -0.116 0.000 1.222 235 I CA 0.838 62.014 61.300 -0.207 0.000 1.452 235 I CB 0.232 37.992 38.000 -0.400 0.000 1.321 235 I HN 0.471 nan 8.210 nan 0.000 0.539 236 Q N 5.634 125.408 119.800 -0.044 0.000 0.000 236 Q HA 0.189 4.509 4.340 -0.034 0.000 0.000 236 Q C 0.534 176.551 176.000 0.028 0.000 0.000 236 Q CA -0.912 54.882 55.803 -0.015 0.000 0.000 236 Q CB 0.795 29.525 28.738 -0.015 0.000 0.000 236 Q HN 0.581 nan 8.270 nan 0.000 0.000 237 D N 0.700 121.105 120.400 0.008 0.000 2.280 237 D HA -0.198 4.422 4.640 -0.034 0.000 0.206 237 D C 1.253 177.618 176.300 0.109 0.000 0.988 237 D CA 1.371 55.395 54.000 0.039 0.000 0.886 237 D CB 0.300 41.093 40.800 -0.012 0.000 0.914 237 D HN 0.432 nan 8.370 nan 0.000 0.473 238 E N 1.509 121.754 120.200 0.075 0.000 2.004 238 E HA -0.082 4.248 4.350 -0.034 0.000 0.194 238 E C 1.775 178.424 176.600 0.082 0.000 0.981 238 E CA 1.049 57.496 56.400 0.078 0.000 0.842 238 E CB -0.038 29.683 29.700 0.036 0.000 0.796 238 E HN 0.032 nan 8.360 nan 0.000 0.477 239 K N -0.689 119.729 120.400 0.030 0.000 2.228 239 K HA -0.232 4.068 4.320 -0.034 0.000 0.205 239 K C 2.261 178.842 176.600 -0.031 0.000 1.045 239 K CA 1.491 57.765 56.287 -0.021 0.000 0.931 239 K CB -0.395 32.073 32.500 -0.054 0.000 0.727 239 K HN 0.218 nan 8.250 nan 0.000 0.458 240 Y N 0.247 120.512 120.300 -0.058 0.000 2.153 240 Y HA -0.251 4.279 4.550 -0.032 0.000 0.289 240 Y C 2.182 178.091 175.900 0.014 0.000 1.127 240 Y CA 1.271 59.343 58.100 -0.047 0.000 1.131 240 Y CB -0.429 38.009 38.460 -0.036 0.000 0.995 240 Y HN 0.083 nan 8.280 nan 0.000 0.505 241 Y N 0.739 121.137 120.300 0.163 0.000 2.333 241 Y HA -0.291 4.240 4.550 -0.031 0.000 0.290 241 Y C 2.204 178.073 175.900 -0.052 0.000 1.144 241 Y CA 1.567 59.711 58.100 0.074 0.000 1.228 241 Y CB 0.020 38.507 38.460 0.045 0.000 0.985 241 Y HN 0.301 nan 8.280 nan 0.000 0.542 242 Q N 0.246 119.915 119.800 -0.218 0.000 1.994 242 Q HA -0.159 4.161 4.340 -0.034 0.000 0.198 242 Q C 2.258 178.069 176.000 -0.315 0.000 0.976 242 Q CA 1.975 57.593 55.803 -0.308 0.000 0.828 242 Q CB -0.241 28.402 28.738 -0.158 0.000 0.894 242 Q HN 0.514 nan 8.270 nan 0.000 0.432 243 I N 0.744 121.158 120.570 -0.261 0.000 2.194 243 I HA -0.369 3.781 4.170 -0.034 0.000 0.246 243 I C 2.780 178.730 176.117 -0.278 0.000 1.093 243 I CA 0.934 62.073 61.300 -0.268 0.000 1.355 243 I CB -0.485 37.320 38.000 -0.324 0.000 1.046 243 I HN 0.420 nan 8.210 nan 0.000 0.413 244 C N 0.877 119.989 119.300 -0.313 0.000 2.453 244 C HA -0.174 4.266 4.460 -0.034 0.000 0.277 244 C C 2.863 177.720 174.990 -0.221 0.000 1.262 244 C CA 1.423 60.319 59.018 -0.204 0.000 1.718 244 C CB -0.891 26.827 27.740 -0.036 0.000 2.031 244 C HN 0.528 nan 8.230 nan 0.000 0.480 245 E N 0.545 120.458 120.200 -0.479 0.000 2.031 245 E HA -0.182 4.148 4.350 -0.034 0.000 0.193 245 E C 2.313 178.678 176.600 -0.393 0.000 0.994 245 E CA 1.849 57.811 56.400 -0.729 0.000 0.800 245 E CB -0.135 28.857 29.700 -1.179 0.000 0.752 245 E HN 0.827 nan 8.360 nan 0.000 0.447 246 S N 0.106 115.625 115.700 -0.302 0.000 2.359 246 S HA -0.156 4.294 4.470 -0.034 0.000 0.224 246 S C 2.161 176.726 174.600 -0.057 0.000 1.035 246 S CA 1.516 59.627 58.200 -0.149 0.000 1.018 246 S CB -0.779 62.335 63.200 -0.143 0.000 0.876 246 S HN 0.156 nan 8.310 nan 0.000 0.448 247 V N 1.979 121.852 119.914 -0.067 0.000 2.427 247 V HA -0.051 4.049 4.120 -0.034 0.000 0.248 247 V C 2.507 178.651 176.094 0.084 0.000 1.051 247 V CA 1.596 63.891 62.300 -0.009 0.000 1.048 247 V CB -0.791 31.009 31.823 -0.037 0.000 0.666 247 V HN 0.464 nan 8.190 nan 0.000 0.456 248 L N -0.407 120.903 121.223 0.145 0.000 2.156 248 L HA -0.113 4.207 4.340 -0.034 0.000 0.208 248 L C 2.511 179.663 176.870 0.470 0.000 1.095 248 L CA 1.081 56.150 54.840 0.382 0.000 0.770 248 L CB -0.468 41.921 42.059 0.550 0.000 0.914 248 L HN 0.284 nan 8.230 nan 0.000 0.439 249 K N 0.734 121.337 120.400 0.338 0.000 1.987 249 K HA -0.222 4.078 4.320 -0.034 0.000 0.216 249 K C 1.994 178.727 176.600 0.223 0.000 1.051 249 K CA 1.690 58.176 56.287 0.332 0.000 0.942 249 K CB -0.170 32.428 32.500 0.164 0.000 0.722 249 K HN 0.113 nan 8.250 nan 0.000 0.444 250 E N 0.203 120.480 120.200 0.128 0.000 2.070 250 E HA -0.177 4.153 4.350 -0.034 0.000 0.197 250 E C 2.169 178.815 176.600 0.076 0.000 1.004 250 E CA 1.658 58.102 56.400 0.073 0.000 0.805 250 E CB -0.636 29.088 29.700 0.041 0.000 0.744 250 E HN 0.237 nan 8.360 nan 0.000 0.451 251 V N 0.904 120.886 119.914 0.113 0.000 2.407 251 V HA -0.239 3.861 4.120 -0.034 0.000 0.248 251 V C 2.222 178.389 176.094 0.121 0.000 1.055 251 V CA 1.560 63.927 62.300 0.111 0.000 1.049 251 V CB -0.710 31.190 31.823 0.128 0.000 0.662 251 V HN 0.193 nan 8.190 nan 0.000 0.455 252 Y N 1.035 121.276 120.300 -0.098 0.000 2.497 252 Y HA -0.131 4.411 4.550 -0.013 0.000 0.292 252 Y C 2.300 178.061 175.900 -0.232 0.000 1.137 252 Y CA 1.017 58.883 58.100 -0.389 0.000 1.285 252 Y CB -0.151 37.922 38.460 -0.645 0.000 0.991 252 Y HN 0.411 nan 8.280 nan 0.000 0.556 253 Q N -0.759 118.954 119.800 -0.145 0.000 2.050 253 Q HA 0.080 4.400 4.340 -0.034 0.000 0.200 253 Q C 2.530 178.455 176.000 -0.125 0.000 0.988 253 Q CA 0.682 56.366 55.803 -0.198 0.000 0.845 253 Q CB -0.952 27.730 28.738 -0.094 0.000 0.917 253 Q HN 0.302 nan 8.270 nan 0.000 0.481 254 A N 0.562 123.353 122.820 -0.049 0.000 2.082 254 A HA -0.240 4.060 4.320 -0.034 0.000 0.224 254 A C 1.697 179.300 177.584 0.032 0.000 1.179 254 A CA 2.095 54.117 52.037 -0.024 0.000 0.670 254 A CB -0.560 18.426 19.000 -0.024 0.000 0.817 254 A HN 0.459 nan 8.150 nan 0.000 0.475 255 F N -1.014 118.861 119.950 -0.125 0.000 2.637 255 F HA 0.210 4.714 4.527 -0.039 0.000 0.284 255 F C 0.679 176.429 175.800 -0.083 0.000 1.105 255 F CA 0.401 58.351 58.000 -0.083 0.000 1.356 255 F CB 0.033 39.004 39.000 -0.047 0.000 1.096 255 F HN 0.449 nan 8.300 nan 0.000 0.616 256 N N 1.780 120.377 118.700 -0.170 0.000 2.614 256 N HA -0.134 4.586 4.740 -0.034 0.000 0.276 256 N C -2.662 172.688 175.510 -0.266 0.000 1.119 256 N CA -0.072 52.789 53.050 -0.316 0.000 0.742 256 N CB -0.473 37.816 38.487 -0.330 0.000 0.900 256 N HN 0.084 nan 8.380 nan 0.000 0.549 257 P HA 0.058 nan 4.420 nan 0.000 0.272 257 P C 0.032 177.391 177.300 0.099 0.000 1.240 257 P CA -0.121 63.032 63.100 0.088 0.000 0.791 257 P CB 1.050 32.964 31.700 0.356 0.000 0.978 258 K N 0.269 120.764 120.400 0.157 0.000 2.286 258 K HA 0.370 4.669 4.320 -0.034 0.000 0.203 258 K C 0.812 177.594 176.600 0.302 0.000 1.078 258 K CA 0.711 57.176 56.287 0.296 0.000 0.957 258 K CB -0.162 32.598 32.500 0.432 0.000 1.018 258 K HN 0.614 nan 8.250 nan 0.000 0.484 259 A N -0.214 122.608 122.820 0.004 0.000 2.387 259 A HA 0.766 5.066 4.320 -0.034 0.000 0.303 259 A C -1.286 176.229 177.584 -0.114 0.000 1.145 259 A CA -0.614 51.181 52.037 -0.403 0.000 0.801 259 A CB 1.748 20.011 19.000 -1.229 0.000 1.342 259 A HN -0.103 nan 8.150 nan 0.000 0.440 260 V N 0.174 120.013 119.914 -0.124 0.000 2.733 260 V HA 0.484 4.584 4.120 -0.034 0.000 0.306 260 V C -1.092 174.965 176.094 -0.061 0.000 1.084 260 V CA -0.450 61.842 62.300 -0.013 0.000 0.905 260 V CB 1.901 33.771 31.823 0.078 0.000 1.010 260 V HN 0.691 nan 8.190 nan 0.000 0.424 261 V N 5.715 125.620 119.914 -0.015 0.000 2.349 261 V HA 0.472 4.571 4.120 -0.034 0.000 0.284 261 V C -0.617 175.437 176.094 -0.067 0.000 1.014 261 V CA -0.465 61.835 62.300 -0.000 0.000 0.826 261 V CB 1.551 33.446 31.823 0.121 0.000 1.009 261 V HN 0.651 nan 8.190 nan 0.000 0.431 262 L N 4.720 125.869 121.223 -0.124 0.000 2.280 262 L HA 0.536 4.856 4.340 -0.034 0.000 0.287 262 L C -0.097 176.674 176.870 -0.165 0.000 1.023 262 L CA 0.288 55.021 54.840 -0.177 0.000 0.819 262 L CB 1.460 43.444 42.059 -0.126 0.000 1.212 262 L HN 0.621 nan 8.230 nan 0.000 0.420 263 Q N 5.722 125.396 119.800 -0.210 0.000 2.303 263 Q HA 0.337 4.657 4.340 -0.034 0.000 0.257 263 Q C -1.292 174.707 176.000 -0.002 0.000 0.941 263 Q CA -0.228 55.517 55.803 -0.097 0.000 0.931 263 Q CB 1.131 29.840 28.738 -0.048 0.000 1.215 263 Q HN 0.779 nan 8.270 nan 0.000 0.437 264 L N 3.968 125.231 121.223 0.066 0.000 2.825 264 L HA 0.383 4.703 4.340 -0.034 0.000 0.236 264 L C 0.783 177.868 176.870 0.358 0.000 1.301 264 L CA -0.772 54.198 54.840 0.217 0.000 0.977 264 L CB 0.907 43.158 42.059 0.319 0.000 1.300 264 L HN 0.600 nan 8.230 nan 0.000 0.486 265 G N 0.330 109.280 108.800 0.249 0.000 2.380 265 G HA2 0.279 4.219 3.960 -0.034 0.000 0.242 265 G HA3 0.279 4.219 3.960 -0.034 0.000 0.242 265 G C 0.727 175.756 174.900 0.216 0.000 1.298 265 G CA 0.124 45.386 45.100 0.269 0.000 0.878 265 G HN 0.592 nan 8.290 nan 0.000 0.542 266 A N 1.842 124.710 122.820 0.081 0.000 2.462 266 A HA 0.252 4.552 4.320 -0.034 0.000 0.261 266 A C 1.159 178.663 177.584 -0.133 0.000 1.323 266 A CA 0.335 52.281 52.037 -0.151 0.000 0.913 266 A CB 0.071 18.716 19.000 -0.592 0.000 1.028 266 A HN 0.595 nan 8.150 nan 0.000 0.511 267 D N -0.605 119.787 120.400 -0.013 0.000 2.370 267 D HA -0.029 4.590 4.640 -0.034 0.000 0.230 267 D C 0.969 177.284 176.300 0.025 0.000 1.143 267 D CA 0.909 54.946 54.000 0.063 0.000 0.834 267 D CB -0.675 40.291 40.800 0.277 0.000 0.944 267 D HN 0.310 nan 8.370 nan 0.000 0.504 268 T N -3.148 111.406 114.554 -0.000 0.000 3.040 268 T HA 0.230 4.559 4.350 -0.034 0.000 0.266 268 T C 0.539 175.275 174.700 0.061 0.000 1.005 268 T CA -0.441 61.680 62.100 0.035 0.000 0.906 268 T CB 0.182 69.122 68.868 0.119 0.000 1.082 268 T HN -0.050 nan 8.240 nan 0.000 0.531 269 I N 2.977 123.538 120.570 -0.016 0.000 2.325 269 I HA 0.512 4.662 4.170 -0.034 0.000 0.291 269 I C 1.045 177.142 176.117 -0.034 0.000 1.019 269 I CA -1.492 59.776 61.300 -0.053 0.000 1.302 269 I CB -0.035 37.889 38.000 -0.126 0.000 1.401 269 I HN 0.311 nan 8.210 nan 0.000 0.485 270 A N 4.895 127.702 122.820 -0.022 0.000 2.600 270 A HA 0.327 4.627 4.320 -0.034 0.000 0.244 270 A C 1.317 178.878 177.584 -0.038 0.000 1.016 270 A CA 1.175 53.202 52.037 -0.016 0.000 0.778 270 A CB -0.467 18.517 19.000 -0.027 0.000 0.920 270 A HN 1.327 nan 8.150 nan 0.000 0.513 271 G N 2.022 110.808 108.800 -0.024 0.000 2.697 271 G HA2 -0.189 3.751 3.960 -0.034 0.000 0.200 271 G HA3 -0.189 3.751 3.960 -0.034 0.000 0.200 271 G C 0.174 175.058 174.900 -0.026 0.000 1.106 271 G CA 0.382 45.457 45.100 -0.041 0.000 0.748 271 G HN 1.114 nan 8.290 nan 0.000 0.503 272 D N 2.445 122.836 120.400 -0.015 0.000 2.515 272 D HA 0.277 4.897 4.640 -0.034 0.000 0.230 272 D C -0.109 176.228 176.300 0.063 0.000 1.181 272 D CA 0.068 54.087 54.000 0.031 0.000 0.875 272 D CB 1.231 42.071 40.800 0.067 0.000 1.213 272 D HN 0.186 nan 8.370 nan 0.000 0.478 273 P HA -0.077 nan 4.420 nan 0.000 0.231 273 P C 1.225 178.583 177.300 0.097 0.000 1.168 273 P CA 0.399 63.546 63.100 0.078 0.000 0.779 273 P CB 0.137 31.880 31.700 0.072 0.000 0.844 274 M N -0.047 119.643 119.600 0.149 0.000 2.346 274 M HA -0.055 4.404 4.480 -0.034 0.000 0.263 274 M C 0.924 177.305 176.300 0.134 0.000 1.064 274 M CA 0.545 55.951 55.300 0.176 0.000 1.083 274 M CB -1.689 31.066 32.600 0.258 0.000 1.399 274 M HN -0.022 nan 8.290 nan 0.000 0.435 275 C N 0.323 119.681 119.300 0.097 0.000 3.592 275 C HA -0.213 4.226 4.460 -0.034 0.000 0.281 275 C C 1.849 176.880 174.990 0.068 0.000 1.400 275 C CA 0.618 59.679 59.018 0.071 0.000 2.104 275 C CB -2.272 25.502 27.740 0.057 0.000 1.369 275 C HN 0.789 nan 8.230 nan 0.000 0.597 276 S N -0.546 115.196 115.700 0.069 0.000 3.049 276 S HA 0.472 4.922 4.470 -0.034 0.000 0.182 276 S C 0.712 175.440 174.600 0.213 0.000 0.725 276 S CA -0.001 58.232 58.200 0.055 0.000 0.811 276 S CB -0.100 63.038 63.200 -0.103 0.000 0.801 276 S HN 0.603 nan 8.310 nan 0.000 0.627 277 F N 1.728 121.668 119.950 -0.017 0.000 2.313 277 F HA 0.245 4.751 4.527 -0.034 0.000 0.288 277 F C 1.020 176.813 175.800 -0.011 0.000 1.274 277 F CA -0.107 57.891 58.000 -0.003 0.000 1.241 277 F CB 0.261 39.271 39.000 0.017 0.000 1.409 277 F HN 0.330 nan 8.300 nan 0.000 0.511 278 N N 0.373 119.181 118.700 0.179 0.000 2.604 278 N HA 0.127 4.847 4.740 -0.034 0.000 0.284 278 N C -0.856 174.661 175.510 0.012 0.000 1.716 278 N CA -0.079 53.010 53.050 0.065 0.000 0.859 278 N CB 0.163 38.669 38.487 0.032 0.000 1.403 278 N HN 0.296 nan 8.380 nan 0.000 0.501 279 M N -0.152 119.453 119.600 0.008 0.000 2.012 279 M HA 0.434 4.894 4.480 -0.034 0.000 0.248 279 M C 0.876 177.125 176.300 -0.085 0.000 1.238 279 M CA -0.072 55.187 55.300 -0.069 0.000 0.980 279 M CB 0.355 32.870 32.600 -0.142 0.000 1.346 279 M HN 0.328 nan 8.290 nan 0.000 0.511 280 T N -3.464 111.016 114.554 -0.123 0.000 2.843 280 T HA 0.453 4.783 4.350 -0.034 0.000 0.302 280 T C -2.611 171.969 174.700 -0.199 0.000 1.232 280 T CA -1.457 60.548 62.100 -0.158 0.000 1.009 280 T CB 1.771 70.541 68.868 -0.164 0.000 1.254 280 T HN 0.240 nan 8.240 nan 0.000 0.504 281 P HA -0.016 nan 4.420 nan 0.000 0.223 281 P C 1.521 178.657 177.300 -0.273 0.000 1.144 281 P CA 0.359 63.292 63.100 -0.278 0.000 0.783 281 P CB -0.034 31.416 31.700 -0.417 0.000 0.771 282 V N -0.218 119.483 119.914 -0.356 0.000 2.283 282 V HA -0.133 3.967 4.120 -0.034 0.000 0.243 282 V C 2.621 178.685 176.094 -0.049 0.000 1.039 282 V CA 2.496 64.701 62.300 -0.159 0.000 1.016 282 V CB -1.792 29.929 31.823 -0.170 0.000 0.650 282 V HN 0.147 nan 8.190 nan 0.000 0.449 283 G N 0.428 109.177 108.800 -0.085 0.000 2.491 283 G HA2 -0.266 3.674 3.960 -0.034 0.000 0.218 283 G HA3 -0.266 3.674 3.960 -0.034 0.000 0.218 283 G C 1.464 176.346 174.900 -0.030 0.000 1.180 283 G CA 1.364 46.431 45.100 -0.056 0.000 0.774 283 G HN 0.463 nan 8.290 nan 0.000 0.562 284 I N 1.918 122.453 120.570 -0.058 0.000 2.454 284 I HA -0.008 4.141 4.170 -0.034 0.000 0.254 284 I C 2.940 179.107 176.117 0.082 0.000 1.156 284 I CA 1.145 62.447 61.300 0.004 0.000 1.433 284 I CB -0.610 37.392 38.000 0.002 0.000 1.082 284 I HN 0.182 nan 8.210 nan 0.000 0.432 285 G N 0.238 109.106 108.800 0.113 0.000 2.408 285 G HA2 -0.190 3.750 3.960 -0.034 0.000 0.217 285 G HA3 -0.190 3.750 3.960 -0.034 0.000 0.217 285 G C 1.760 176.665 174.900 0.007 0.000 1.150 285 G CA 0.408 45.593 45.100 0.143 0.000 0.776 285 G HN 0.315 nan 8.290 nan 0.000 0.542 286 K N -0.202 120.134 120.400 -0.108 0.000 2.032 286 K HA -0.105 4.194 4.320 -0.034 0.000 0.209 286 K C 2.658 179.184 176.600 -0.123 0.000 1.048 286 K CA 1.364 57.431 56.287 -0.367 0.000 0.927 286 K CB -0.464 31.412 32.500 -1.040 0.000 0.712 286 K HN 0.342 nan 8.250 nan 0.000 0.441 287 C N 0.915 120.277 119.300 0.104 0.000 2.413 287 C HA -0.129 4.311 4.460 -0.034 0.000 0.276 287 C C 2.590 177.657 174.990 0.127 0.000 1.236 287 C CA 0.305 59.494 59.018 0.285 0.000 1.735 287 C CB -0.873 27.042 27.740 0.291 0.000 2.031 287 C HN 0.459 nan 8.230 nan 0.000 0.474 288 L N 1.435 122.693 121.223 0.057 0.000 2.042 288 L HA -0.140 4.180 4.340 -0.034 0.000 0.210 288 L C 2.428 179.256 176.870 -0.071 0.000 1.076 288 L CA 1.880 56.712 54.840 -0.012 0.000 0.749 288 L CB -0.739 41.333 42.059 0.023 0.000 0.893 288 L HN 0.291 nan 8.230 nan 0.000 0.432 289 K N -1.592 118.782 120.400 -0.044 0.000 2.002 289 K HA -0.253 4.047 4.320 -0.034 0.000 0.209 289 K C 2.188 178.732 176.600 -0.094 0.000 1.048 289 K CA 1.985 58.232 56.287 -0.066 0.000 0.930 289 K CB -0.638 31.833 32.500 -0.048 0.000 0.714 289 K HN 0.334 nan 8.250 nan 0.000 0.438 290 Y N 1.675 121.892 120.300 -0.138 0.000 2.193 290 Y HA -0.217 4.309 4.550 -0.041 0.000 0.285 290 Y C 1.821 177.345 175.900 -0.627 0.000 1.166 290 Y CA 1.364 59.343 58.100 -0.201 0.000 1.181 290 Y CB -0.078 38.390 38.460 0.014 0.000 0.976 290 Y HN 0.025 nan 8.280 nan 0.000 0.520 291 I N -1.020 119.150 120.570 -0.666 0.000 2.406 291 I HA -0.255 3.895 4.170 -0.034 0.000 0.249 291 I C 2.152 177.767 176.117 -0.837 0.000 1.122 291 I CA 0.751 61.355 61.300 -1.159 0.000 1.431 291 I CB -0.267 37.354 38.000 -0.631 0.000 1.087 291 I HN 0.206 nan 8.210 nan 0.000 0.424 292 L N 0.516 121.469 121.223 -0.450 0.000 2.131 292 L HA -0.211 4.108 4.340 -0.034 0.000 0.210 292 L C 2.493 179.214 176.870 -0.250 0.000 1.092 292 L CA 1.019 55.699 54.840 -0.267 0.000 0.759 292 L CB -0.530 41.427 42.059 -0.169 0.000 0.903 292 L HN 0.355 nan 8.230 nan 0.000 0.435 293 Q N -0.357 119.237 119.800 -0.344 0.000 2.557 293 Q HA -0.197 4.122 4.340 -0.034 0.000 0.217 293 Q C 1.081 176.997 176.000 -0.140 0.000 0.978 293 Q CA 0.791 56.452 55.803 -0.237 0.000 0.950 293 Q CB 0.061 28.659 28.738 -0.234 0.000 0.991 293 Q HN 0.534 nan 8.270 nan 0.000 0.533 294 W N 0.026 121.168 121.300 -0.264 0.000 3.114 294 W HA 0.174 4.822 4.660 -0.020 0.000 0.279 294 W C 0.658 177.110 176.519 -0.110 0.000 1.277 294 W CA -0.146 57.023 57.345 -0.293 0.000 1.630 294 W CB 0.165 29.293 29.460 -0.554 0.000 1.087 294 W HN 0.280 nan 8.180 nan 0.000 0.637 295 Q N -0.870 118.991 119.800 0.101 0.000 2.452 295 Q HA -0.209 4.111 4.340 -0.034 0.000 0.248 295 Q C 0.090 176.155 176.000 0.109 0.000 0.874 295 Q CA 0.908 56.758 55.803 0.079 0.000 1.208 295 Q CB -2.120 26.663 28.738 0.076 0.000 1.569 295 Q HN 0.194 nan 8.270 nan 0.000 0.579 296 L N -0.745 120.566 121.223 0.147 0.000 2.456 296 L HA 0.644 4.964 4.340 -0.034 0.000 0.257 296 L C 0.902 177.830 176.870 0.096 0.000 1.162 296 L CA -0.523 54.414 54.840 0.161 0.000 0.808 296 L CB 0.287 42.465 42.059 0.199 0.000 1.136 296 L HN 0.149 nan 8.230 nan 0.000 0.466 297 A N 0.955 123.834 122.820 0.098 0.000 2.540 297 A HA 0.374 4.673 4.320 -0.034 0.000 0.239 297 A C 0.064 177.601 177.584 -0.078 0.000 1.061 297 A CA 0.238 52.282 52.037 0.010 0.000 0.758 297 A CB -0.301 18.701 19.000 0.003 0.000 0.991 297 A HN 0.707 nan 8.150 nan 0.000 0.502 298 T N 3.326 117.832 114.554 -0.079 0.000 2.881 298 T HA 0.432 4.762 4.350 -0.034 0.000 0.291 298 T C -0.815 173.803 174.700 -0.137 0.000 0.990 298 T CA -0.299 61.737 62.100 -0.105 0.000 0.976 298 T CB 0.983 69.792 68.868 -0.098 0.000 0.970 298 T HN 0.554 nan 8.240 nan 0.000 0.438 299 L N 5.478 126.611 121.223 -0.150 0.000 2.262 299 L HA 0.522 4.842 4.340 -0.034 0.000 0.288 299 L C -0.843 175.900 176.870 -0.212 0.000 1.035 299 L CA -0.731 54.006 54.840 -0.172 0.000 0.820 299 L CB 0.111 42.086 42.059 -0.139 0.000 1.204 299 L HN 0.512 nan 8.230 nan 0.000 0.424 300 I N 6.748 127.127 120.570 -0.318 0.000 2.325 300 I HA 0.315 4.464 4.170 -0.034 0.000 0.291 300 I C -0.055 175.739 176.117 -0.539 0.000 1.019 300 I CA -0.209 60.819 61.300 -0.453 0.000 1.302 300 I CB 0.890 38.487 38.000 -0.672 0.000 1.401 300 I HN 0.540 nan 8.210 nan 0.000 0.485 301 L N 4.868 125.849 121.223 -0.403 0.000 2.341 301 L HA 0.662 4.981 4.340 -0.034 0.000 0.267 301 L C 0.962 177.650 176.870 -0.302 0.000 1.009 301 L CA -0.532 54.097 54.840 -0.351 0.000 0.819 301 L CB 2.096 44.038 42.059 -0.196 0.000 1.323 301 L HN 0.658 nan 8.230 nan 0.000 0.425 302 G N -0.016 108.576 108.800 -0.348 0.000 2.964 302 G HA2 0.659 4.599 3.960 -0.034 0.000 0.191 302 G HA3 0.659 4.599 3.960 -0.034 0.000 0.191 302 G C 0.291 175.065 174.900 -0.210 0.000 1.978 302 G CA 0.313 45.163 45.100 -0.418 0.000 0.861 302 G HN 1.022 nan 8.290 nan 0.000 0.584 303 G N -1.616 107.024 108.800 -0.268 0.000 2.301 303 G HA2 0.451 4.390 3.960 -0.034 0.000 0.194 303 G HA3 0.451 4.390 3.960 -0.034 0.000 0.194 303 G C 0.576 175.370 174.900 -0.177 0.000 1.266 303 G CA 0.091 44.895 45.100 -0.494 0.000 1.210 303 G HN 1.559 nan 8.290 nan 0.000 0.524 304 G N -0.568 108.235 108.800 0.004 0.000 2.760 304 G HA2 0.623 4.563 3.960 -0.034 0.000 0.236 304 G HA3 0.623 4.563 3.960 -0.034 0.000 0.236 304 G C 0.793 175.596 174.900 -0.162 0.000 1.243 304 G CA 1.322 46.498 45.100 0.126 0.000 0.850 304 G HN 2.363 nan 8.290 nan 0.000 0.595 305 G N -0.638 107.711 108.800 -0.751 0.000 2.046 305 G HA2 0.216 4.155 3.960 -0.034 0.000 0.180 305 G HA3 0.216 4.155 3.960 -0.034 0.000 0.180 305 G C -0.448 173.914 174.900 -0.898 0.000 1.990 305 G CA -0.561 44.141 45.100 -0.665 0.000 0.997 305 G HN 0.633 nan 8.290 nan 0.000 0.592 306 Y N 0.974 121.265 120.300 -0.015 0.000 2.485 306 Y HA 0.342 4.872 4.550 -0.034 0.000 0.260 306 Y C 1.370 177.228 175.900 -0.071 0.000 1.173 306 Y CA -0.546 57.545 58.100 -0.015 0.000 1.252 306 Y CB 0.936 39.423 38.460 0.044 0.000 1.123 306 Y HN 0.460 nan 8.280 nan 0.000 0.524 307 N N 1.696 120.336 118.700 -0.100 0.000 2.955 307 N HA 0.157 4.877 4.740 -0.034 0.000 0.242 307 N C 0.868 176.245 175.510 -0.222 0.000 1.123 307 N CA 0.105 53.078 53.050 -0.128 0.000 0.949 307 N CB 0.241 38.648 38.487 -0.132 0.000 1.214 307 N HN 0.346 nan 8.380 nan 0.000 0.504 308 L N 1.369 122.468 121.223 -0.207 0.000 2.040 308 L HA -0.348 3.971 4.340 -0.034 0.000 0.228 308 L C 2.327 179.009 176.870 -0.314 0.000 1.092 308 L CA 2.195 56.882 54.840 -0.254 0.000 0.805 308 L CB -0.900 41.028 42.059 -0.217 0.000 0.905 308 L HN 0.436 nan 8.230 nan 0.000 0.443 309 A N 0.246 122.844 122.820 -0.369 0.000 1.849 309 A HA -0.271 4.029 4.320 -0.034 0.000 0.217 309 A C 2.031 179.419 177.584 -0.327 0.000 1.202 309 A CA 2.390 54.100 52.037 -0.546 0.000 0.629 309 A CB -0.859 17.746 19.000 -0.659 0.000 0.834 309 A HN 0.475 nan 8.150 nan 0.000 0.447 310 N N -0.449 118.085 118.700 -0.277 0.000 2.094 310 N HA -0.125 4.595 4.740 -0.034 0.000 0.191 310 N C 1.752 177.072 175.510 -0.317 0.000 1.023 310 N CA 1.986 54.899 53.050 -0.229 0.000 0.857 310 N CB -0.848 37.513 38.487 -0.209 0.000 1.013 310 N HN 0.559 nan 8.380 nan 0.000 0.426 311 T N 0.347 114.643 114.554 -0.430 0.000 2.684 311 T HA -0.099 4.231 4.350 -0.034 0.000 0.267 311 T C 1.894 176.150 174.700 -0.739 0.000 1.036 311 T CA 1.461 63.115 62.100 -0.744 0.000 1.148 311 T CB -0.457 67.907 68.868 -0.840 0.000 0.863 311 T HN 0.372 nan 8.240 nan 0.000 0.436 312 A N 1.787 124.373 122.820 -0.390 0.000 1.902 312 A HA -0.132 4.168 4.320 -0.034 0.000 0.217 312 A C 2.376 179.886 177.584 -0.122 0.000 1.181 312 A CA 1.395 53.324 52.037 -0.180 0.000 0.623 312 A CB -0.503 18.520 19.000 0.038 0.000 0.818 312 A HN 0.405 nan 8.150 nan 0.000 0.443 313 R N -1.107 119.357 120.500 -0.060 0.000 2.083 313 R HA -0.196 4.124 4.340 -0.034 0.000 0.237 313 R C 2.417 178.653 176.300 -0.107 0.000 1.137 313 R CA 1.609 57.690 56.100 -0.032 0.000 0.951 313 R CB -1.042 29.251 30.300 -0.012 0.000 0.851 313 R HN 0.684 nan 8.270 nan 0.000 0.434 314 C N -0.067 119.097 119.300 -0.227 0.000 2.453 314 C HA -0.091 4.349 4.460 -0.034 0.000 0.277 314 C C 2.379 177.315 174.990 -0.090 0.000 1.262 314 C CA 0.285 59.178 59.018 -0.210 0.000 1.718 314 C CB -1.014 26.505 27.740 -0.368 0.000 2.031 314 C HN 0.601 nan 8.230 nan 0.000 0.480 315 W N 0.849 121.906 121.300 -0.406 0.000 2.418 315 W HA 0.070 4.709 4.660 -0.034 0.000 0.292 315 W C 2.637 178.912 176.519 -0.408 0.000 1.213 315 W CA 1.415 58.292 57.345 -0.780 0.000 1.283 315 W CB -1.744 26.760 29.460 -1.593 0.000 1.119 315 W HN 0.304 nan 8.180 nan 0.000 0.542 316 T N 0.007 114.522 114.554 -0.065 0.000 2.708 316 T HA -0.291 4.038 4.350 -0.034 0.000 0.266 316 T C 1.542 176.201 174.700 -0.069 0.000 1.037 316 T CA 1.785 63.845 62.100 -0.067 0.000 1.146 316 T CB -0.907 67.859 68.868 -0.170 0.000 0.865 316 T HN 0.173 nan 8.240 nan 0.000 0.435 317 Y N 1.412 121.612 120.300 -0.167 0.000 2.274 317 Y HA -0.032 4.497 4.550 -0.034 0.000 0.290 317 Y C 1.912 177.790 175.900 -0.036 0.000 1.145 317 Y CA 0.999 59.019 58.100 -0.134 0.000 1.203 317 Y CB -0.398 37.994 38.460 -0.114 0.000 0.984 317 Y HN 0.143 nan 8.280 nan 0.000 0.533 318 L N -1.068 120.216 121.223 0.100 0.000 2.131 318 L HA -0.153 4.167 4.340 -0.034 0.000 0.206 318 L C 2.260 179.204 176.870 0.124 0.000 1.087 318 L CA 1.499 56.412 54.840 0.121 0.000 0.767 318 L CB -0.638 41.628 42.059 0.345 0.000 0.917 318 L HN 0.163 nan 8.230 nan 0.000 0.441 319 T N -0.450 114.231 114.554 0.211 0.000 2.867 319 T HA -0.110 4.220 4.350 -0.034 0.000 0.268 319 T C 1.770 176.488 174.700 0.030 0.000 1.057 319 T CA 1.248 63.480 62.100 0.221 0.000 1.136 319 T CB -0.337 68.718 68.868 0.312 0.000 0.874 319 T HN 0.542 nan 8.240 nan 0.000 0.466 320 G N 1.176 109.918 108.800 -0.098 0.000 2.443 320 G HA2 -0.114 3.826 3.960 -0.034 0.000 0.219 320 G HA3 -0.114 3.826 3.960 -0.034 0.000 0.219 320 G C 1.775 176.545 174.900 -0.217 0.000 1.131 320 G CA 1.061 46.052 45.100 -0.182 0.000 0.775 320 G HN 0.547 nan 8.290 nan 0.000 0.547 321 V N -1.065 118.684 119.914 -0.274 0.000 2.535 321 V HA 0.152 4.252 4.120 -0.034 0.000 0.246 321 V C 2.502 178.528 176.094 -0.114 0.000 1.045 321 V CA 0.815 62.978 62.300 -0.228 0.000 1.058 321 V CB -0.416 31.248 31.823 -0.265 0.000 0.689 321 V HN 0.301 nan 8.190 nan 0.000 0.461 322 I N 0.279 120.807 120.570 -0.070 0.000 2.264 322 I HA -0.212 3.937 4.170 -0.034 0.000 0.248 322 I C 2.315 178.410 176.117 -0.036 0.000 1.111 322 I CA 1.970 63.244 61.300 -0.043 0.000 1.382 322 I CB -0.112 37.879 38.000 -0.015 0.000 1.060 322 I HN 0.313 nan 8.210 nan 0.000 0.418 323 L N 0.070 121.275 121.223 -0.031 0.000 2.591 323 L HA 0.158 4.478 4.340 -0.034 0.000 0.228 323 L C 1.662 178.511 176.870 -0.035 0.000 1.133 323 L CA 0.490 55.318 54.840 -0.020 0.000 0.880 323 L CB -0.294 41.764 42.059 -0.002 0.000 1.033 323 L HN 0.470 nan 8.230 nan 0.000 0.450 324 G N -0.017 108.749 108.800 -0.057 0.000 2.196 324 G HA2 -0.283 3.657 3.960 -0.034 0.000 0.268 324 G HA3 -0.283 3.657 3.960 -0.034 0.000 0.268 324 G C 0.554 175.422 174.900 -0.054 0.000 0.975 324 G CA 0.372 45.438 45.100 -0.057 0.000 0.648 324 G HN 0.217 nan 8.290 nan 0.000 0.538 325 K N 0.099 120.466 120.400 -0.055 0.000 2.118 325 K HA 0.555 4.855 4.320 -0.034 0.000 0.240 325 K C 0.205 176.771 176.600 -0.057 0.000 1.035 325 K CA 0.107 56.371 56.287 -0.039 0.000 0.899 325 K CB 0.293 32.780 32.500 -0.021 0.000 1.085 325 K HN 0.083 nan 8.250 nan 0.000 0.498 326 T N 1.718 116.260 114.554 -0.021 0.000 2.991 326 T HA 0.344 4.674 4.350 -0.034 0.000 0.347 326 T C 0.187 174.908 174.700 0.035 0.000 1.122 326 T CA -0.593 61.503 62.100 -0.006 0.000 1.062 326 T CB 0.199 69.075 68.868 0.014 0.000 1.043 326 T HN 0.221 nan 8.240 nan 0.000 0.491 327 L N 2.045 123.286 121.223 0.030 0.000 2.483 327 L HA 0.246 4.566 4.340 -0.034 0.000 0.276 327 L C 1.313 178.304 176.870 0.202 0.000 1.213 327 L CA -0.377 54.533 54.840 0.115 0.000 0.843 327 L CB 0.425 42.445 42.059 -0.066 0.000 1.107 327 L HN 0.538 nan 8.230 nan 0.000 0.487 328 S N 1.124 117.011 115.700 0.312 0.000 2.552 328 S HA -0.067 4.383 4.470 -0.034 0.000 0.289 328 S C 1.242 175.980 174.600 0.230 0.000 1.304 328 S CA 0.045 58.370 58.200 0.210 0.000 1.063 328 S CB 0.943 64.214 63.200 0.119 0.000 0.848 328 S HN 0.691 nan 8.310 nan 0.000 0.499 329 S N 2.909 118.695 115.700 0.144 0.000 2.428 329 S HA 0.027 4.477 4.470 -0.034 0.000 0.230 329 S C 0.600 175.283 174.600 0.138 0.000 1.014 329 S CA 0.591 58.870 58.200 0.131 0.000 0.957 329 S CB -0.263 62.991 63.200 0.089 0.000 0.784 329 S HN 0.804 nan 8.310 nan 0.000 0.499 330 E N 1.599 121.870 120.200 0.118 0.000 2.283 330 E HA 0.164 4.494 4.350 -0.034 0.000 0.278 330 E C -0.410 176.260 176.600 0.117 0.000 1.027 330 E CA -0.374 56.098 56.400 0.120 0.000 0.843 330 E CB 0.861 30.608 29.700 0.078 0.000 1.062 330 E HN 0.265 nan 8.360 nan 0.000 0.401 331 I N 5.113 125.792 120.570 0.181 0.000 2.421 331 I HA 0.117 4.266 4.170 -0.034 0.000 0.291 331 I C -1.990 174.208 176.117 0.135 0.000 1.089 331 I CA -2.100 59.289 61.300 0.147 0.000 1.354 331 I CB -0.317 37.779 38.000 0.160 0.000 1.413 331 I HN 0.063 nan 8.210 nan 0.000 0.513 332 P HA -0.026 nan 4.420 nan 0.000 0.267 332 P C -0.225 177.087 177.300 0.021 0.000 1.200 332 P CA -0.071 62.931 63.100 -0.164 0.000 0.772 332 P CB 0.526 31.997 31.700 -0.381 0.000 0.855 333 D N 2.230 122.508 120.400 -0.205 0.000 2.389 333 D HA 0.095 4.715 4.640 -0.034 0.000 0.247 333 D C -0.108 176.204 176.300 0.021 0.000 1.128 333 D CA 0.545 54.342 54.000 -0.337 0.000 0.884 333 D CB 0.229 40.669 40.800 -0.599 0.000 1.194 333 D HN 0.484 nan 8.370 nan 0.000 0.441 334 H N 0.764 119.842 119.070 0.013 0.000 2.918 334 H HA 0.211 4.747 4.556 -0.033 0.000 0.303 334 H C 0.587 175.943 175.328 0.046 0.000 1.380 334 H CA -0.669 55.386 56.048 0.011 0.000 1.134 334 H CB 0.494 30.272 29.762 0.027 0.000 1.842 334 H HN 0.430 nan 8.280 nan 0.000 0.533 335 E N 0.077 120.236 120.200 -0.067 0.000 2.108 335 E HA -0.186 4.144 4.350 -0.034 0.000 0.203 335 E C 0.302 176.628 176.600 -0.457 0.000 1.022 335 E CA 2.003 58.211 56.400 -0.321 0.000 0.823 335 E CB -0.094 29.301 29.700 -0.508 0.000 0.744 335 E HN 0.410 nan 8.360 nan 0.000 0.456 336 F N -0.593 119.270 119.950 -0.145 0.000 2.660 336 F HA 0.138 4.644 4.527 -0.033 0.000 0.302 336 F C 1.326 177.057 175.800 -0.115 0.000 1.103 336 F CA -0.361 57.610 58.000 -0.048 0.000 1.340 336 F CB -0.327 38.814 39.000 0.235 0.000 1.048 336 F HN 0.040 nan 8.300 nan 0.000 0.551 337 F N 1.339 120.972 119.950 -0.528 0.000 2.176 337 F HA -0.336 4.171 4.527 -0.034 0.000 0.301 337 F C 2.131 178.098 175.800 0.278 0.000 1.071 337 F CA 2.031 59.944 58.000 -0.145 0.000 1.289 337 F CB -0.531 38.375 39.000 -0.157 0.000 1.028 337 F HN -0.039 nan 8.300 nan 0.000 0.494 338 T N 0.290 114.903 114.554 0.099 0.000 2.759 338 T HA -0.191 4.139 4.350 -0.034 0.000 0.269 338 T C 2.055 176.750 174.700 -0.009 0.000 1.042 338 T CA 1.315 63.452 62.100 0.062 0.000 1.140 338 T CB -0.760 68.170 68.868 0.104 0.000 0.864 338 T HN 0.401 nan 8.240 nan 0.000 0.455 339 A N 0.187 123.002 122.820 -0.007 0.000 2.239 339 A HA 0.107 4.407 4.320 -0.034 0.000 0.209 339 A C 0.984 178.284 177.584 -0.473 0.000 1.171 339 A CA 0.388 52.301 52.037 -0.207 0.000 0.768 339 A CB -0.712 18.153 19.000 -0.225 0.000 0.790 339 A HN 0.605 nan 8.150 nan 0.000 0.478 340 Y N 0.140 120.247 120.300 -0.322 0.000 2.583 340 Y HA 0.344 4.874 4.550 -0.034 0.000 0.294 340 Y C 1.604 176.939 175.900 -0.942 0.000 1.170 340 Y CA -0.669 57.171 58.100 -0.433 0.000 1.265 340 Y CB -0.455 37.861 38.460 -0.239 0.000 1.119 340 Y HN 0.248 nan 8.280 nan 0.000 0.522 341 G N 1.203 109.470 108.800 -0.890 0.000 2.636 341 G HA2 0.278 4.217 3.960 -0.034 0.000 0.246 341 G HA3 0.278 4.217 3.960 -0.034 0.000 0.246 341 G C -1.858 172.713 174.900 -0.548 0.000 1.216 341 G CA -0.958 43.501 45.100 -1.069 0.000 0.854 341 G HN 0.100 nan 8.290 nan 0.000 0.572 342 P HA 0.276 nan 4.420 nan 0.000 0.269 342 P C -0.051 177.220 177.300 -0.047 0.000 1.478 342 P CA 0.027 63.014 63.100 -0.189 0.000 1.045 342 P CB 1.102 32.782 31.700 -0.034 0.000 1.512 343 D N -1.233 119.043 120.400 -0.206 0.000 2.482 343 D HA 0.065 4.685 4.640 -0.034 0.000 0.251 343 D C -0.007 176.440 176.300 0.244 0.000 1.073 343 D CA 0.245 54.288 54.000 0.071 0.000 0.892 343 D CB 0.025 40.831 40.800 0.009 0.000 1.202 343 D HN 0.016 nan 8.370 nan 0.000 0.496 344 Y N 0.281 120.603 120.300 0.037 0.000 3.234 344 Y HA -0.233 4.297 4.550 -0.034 0.000 0.207 344 Y C -0.289 175.674 175.900 0.105 0.000 1.316 344 Y CA -0.303 57.837 58.100 0.067 0.000 1.309 344 Y CB -2.196 36.301 38.460 0.062 0.000 1.408 344 Y HN -0.144 nan 8.280 nan 0.000 0.544 345 V N -2.497 117.515 119.914 0.165 0.000 2.876 345 V HA 0.498 4.598 4.120 -0.034 0.000 0.312 345 V C 0.531 176.694 176.094 0.114 0.000 1.085 345 V CA -1.206 61.176 62.300 0.137 0.000 0.945 345 V CB 1.961 33.842 31.823 0.097 0.000 1.017 345 V HN 0.095 nan 8.190 nan 0.000 0.428 346 L N 0.906 122.202 121.223 0.121 0.000 2.549 346 L HA 0.232 4.552 4.340 -0.034 0.000 0.229 346 L C 0.768 177.639 176.870 0.002 0.000 1.158 346 L CA 1.492 56.388 54.840 0.093 0.000 0.842 346 L CB -0.683 41.455 42.059 0.132 0.000 0.952 346 L HN 0.887 nan 8.230 nan 0.000 0.452 347 E N -0.478 119.712 120.200 -0.016 0.000 2.248 347 E HA 0.527 4.857 4.350 -0.034 0.000 0.272 347 E C -0.710 175.841 176.600 -0.081 0.000 1.008 347 E CA -0.296 56.053 56.400 -0.086 0.000 0.856 347 E CB 1.591 31.248 29.700 -0.073 0.000 1.120 347 E HN 0.097 nan 8.360 nan 0.000 0.397 348 I N 1.253 121.752 120.570 -0.118 0.000 2.433 348 I HA 0.297 4.447 4.170 -0.034 0.000 0.292 348 I C -0.486 175.579 176.117 -0.087 0.000 1.001 348 I CA -0.780 60.460 61.300 -0.100 0.000 1.119 348 I CB 2.034 39.962 38.000 -0.120 0.000 1.289 348 I HN 0.333 nan 8.210 nan 0.000 0.438 349 T N 6.111 120.627 114.554 -0.064 0.000 2.767 349 T HA 0.338 4.668 4.350 -0.034 0.000 0.284 349 T C -2.343 172.331 174.700 -0.044 0.000 0.973 349 T CA -1.272 60.798 62.100 -0.050 0.000 0.996 349 T CB 1.011 69.857 68.868 -0.037 0.000 0.927 349 T HN 0.284 nan 8.240 nan 0.000 0.456 350 P HA 0.084 nan 4.420 nan 0.000 0.263 350 P C -0.200 177.088 177.300 -0.020 0.000 1.175 350 P CA 0.071 63.154 63.100 -0.029 0.000 0.761 350 P CB 0.341 32.025 31.700 -0.026 0.000 0.794 351 S N 1.545 117.237 115.700 -0.013 0.000 2.568 351 S HA -0.008 4.442 4.470 -0.034 0.000 0.282 351 S C 0.589 175.186 174.600 -0.005 0.000 1.338 351 S CA -0.331 57.864 58.200 -0.008 0.000 1.045 351 S CB 0.014 63.215 63.200 0.001 0.000 0.873 351 S HN 0.485 nan 8.310 nan 0.000 0.516 352 C N 4.292 123.589 119.300 -0.005 0.000 3.297 352 C HA 0.206 4.646 4.460 -0.034 0.000 0.533 352 C C 1.078 176.067 174.990 -0.001 0.000 1.228 352 C CA -0.324 58.691 59.018 -0.004 0.000 1.402 352 C CB -2.439 25.299 27.740 -0.004 0.000 1.728 352 C HN 0.685 nan 8.230 nan 0.000 0.637 353 R N 0.262 120.762 120.500 0.001 0.000 2.837 353 R HA 0.679 4.999 4.340 -0.034 0.000 0.271 353 R C -2.620 173.681 176.300 0.002 0.000 0.993 353 R CA -1.271 54.832 56.100 0.004 0.000 0.931 353 R CB 0.106 30.412 30.300 0.009 0.000 1.206 353 R HN -0.023 nan 8.270 nan 0.000 0.474 354 P HA -0.119 nan 4.420 nan 0.000 0.275 354 P C -0.765 176.531 177.300 -0.006 0.000 1.271 354 P CA 0.188 63.287 63.100 -0.002 0.000 0.861 354 P CB 0.289 31.989 31.700 0.000 0.000 1.071 355 D N -0.243 120.150 120.400 -0.011 0.000 2.621 355 D HA 0.060 4.680 4.640 -0.034 0.000 0.274 355 D C 0.626 176.911 176.300 -0.024 0.000 1.215 355 D CA -0.438 53.548 54.000 -0.023 0.000 0.810 355 D CB 0.144 40.927 40.800 -0.029 0.000 1.248 355 D HN 0.032 nan 8.370 nan 0.000 0.517 356 R N 0.946 121.436 120.500 -0.017 0.000 2.484 356 R HA -0.051 4.269 4.340 -0.034 0.000 0.217 356 R C 0.087 176.373 176.300 -0.023 0.000 1.166 356 R CA 0.258 56.350 56.100 -0.013 0.000 1.126 356 R CB -0.974 29.323 30.300 -0.004 0.000 0.801 356 R HN 0.313 nan 8.270 nan 0.000 0.491 357 N N 1.840 120.516 118.700 -0.040 0.000 2.420 357 N HA 0.027 4.747 4.740 -0.034 0.000 0.249 357 N C -0.490 174.998 175.510 -0.036 0.000 1.033 357 N CA -0.167 52.851 53.050 -0.052 0.000 0.944 357 N CB 1.181 39.614 38.487 -0.089 0.000 1.113 357 N HN -0.019 nan 8.380 nan 0.000 0.502 358 E N 3.584 123.769 120.200 -0.024 0.000 2.299 358 E HA 0.077 4.407 4.350 -0.034 0.000 0.272 358 E C -1.243 175.356 176.600 -0.001 0.000 1.043 358 E CA -1.506 54.895 56.400 0.002 0.000 0.895 358 E CB 0.955 30.671 29.700 0.026 0.000 1.011 358 E HN 0.383 nan 8.360 nan 0.000 0.432 359 P HA -0.210 nan 4.420 nan 0.000 0.218 359 P C 0.852 178.171 177.300 0.032 0.000 1.148 359 P CA 1.329 64.433 63.100 0.008 0.000 0.822 359 P CB 0.248 31.958 31.700 0.015 0.000 0.784 360 H N 0.186 119.236 119.070 -0.034 0.000 2.326 360 H HA 0.002 4.538 4.556 -0.033 0.000 0.301 360 H C 2.309 177.617 175.328 -0.033 0.000 1.081 360 H CA 1.468 57.498 56.048 -0.030 0.000 1.334 360 H CB -0.293 29.455 29.762 -0.023 0.000 1.385 360 H HN -0.241 nan 8.280 nan 0.000 0.504 361 R N 0.477 120.925 120.500 -0.087 0.000 2.115 361 R HA -0.069 4.250 4.340 -0.034 0.000 0.230 361 R C 2.094 178.304 176.300 -0.149 0.000 1.111 361 R CA 0.819 56.835 56.100 -0.140 0.000 0.976 361 R CB -0.468 29.794 30.300 -0.064 0.000 0.870 361 R HN 0.408 nan 8.270 nan 0.000 0.445 362 I N 0.884 121.382 120.570 -0.120 0.000 2.286 362 I HA -0.243 3.907 4.170 -0.034 0.000 0.248 362 I C 2.260 178.300 176.117 -0.128 0.000 1.115 362 I CA 1.146 62.371 61.300 -0.125 0.000 1.392 362 I CB -0.971 36.963 38.000 -0.111 0.000 1.065 362 I HN 0.131 nan 8.210 nan 0.000 0.418 363 Q N 1.270 120.987 119.800 -0.138 0.000 2.020 363 Q HA -0.198 4.122 4.340 -0.034 0.000 0.202 363 Q C 2.248 178.168 176.000 -0.133 0.000 0.982 363 Q CA 1.745 57.471 55.803 -0.128 0.000 0.838 363 Q CB -0.292 28.369 28.738 -0.128 0.000 0.899 363 Q HN 0.511 nan 8.270 nan 0.000 0.423 364 Q N -0.275 119.406 119.800 -0.198 0.000 2.156 364 Q HA -0.220 4.099 4.340 -0.034 0.000 0.211 364 Q C 2.132 178.113 176.000 -0.033 0.000 0.995 364 Q CA 1.795 57.520 55.803 -0.130 0.000 0.877 364 Q CB -0.433 28.209 28.738 -0.160 0.000 0.920 364 Q HN 0.465 nan 8.270 nan 0.000 0.416 365 I N 0.622 121.147 120.570 -0.075 0.000 2.133 365 I HA -0.268 3.882 4.170 -0.034 0.000 0.238 365 I C 2.332 178.420 176.117 -0.049 0.000 1.074 365 I CA 1.027 62.280 61.300 -0.079 0.000 1.342 365 I CB -0.467 37.446 38.000 -0.145 0.000 1.053 365 I HN 0.175 nan 8.210 nan 0.000 0.404 366 L N 1.007 122.188 121.223 -0.071 0.000 2.197 366 L HA -0.265 4.055 4.340 -0.034 0.000 0.215 366 L C 2.241 179.100 176.870 -0.019 0.000 1.095 366 L CA 1.270 56.074 54.840 -0.059 0.000 0.764 366 L CB -0.780 41.234 42.059 -0.076 0.000 0.897 366 L HN 0.428 nan 8.230 nan 0.000 0.436 367 N N -1.185 117.515 118.700 0.000 0.000 2.258 367 N HA -0.168 4.552 4.740 -0.034 0.000 0.183 367 N C 1.808 177.371 175.510 0.089 0.000 1.029 367 N CA 0.809 53.872 53.050 0.022 0.000 0.857 367 N CB -0.578 37.909 38.487 -0.001 0.000 1.008 367 N HN 0.174 nan 8.380 nan 0.000 0.433 368 Y N 2.358 122.627 120.300 -0.051 0.000 2.181 368 Y HA -0.127 4.401 4.550 -0.037 0.000 0.284 368 Y C 2.132 178.017 175.900 -0.025 0.000 1.179 368 Y CA 1.039 59.118 58.100 -0.036 0.000 1.179 368 Y CB -0.602 37.826 38.460 -0.053 0.000 0.973 368 Y HN -0.002 nan 8.280 nan 0.000 0.519 369 I N -0.147 120.532 120.570 0.181 0.000 2.110 369 I HA -0.331 3.819 4.170 -0.034 0.000 0.236 369 I C 2.578 178.739 176.117 0.072 0.000 1.068 369 I CA 1.749 63.096 61.300 0.079 0.000 1.333 369 I CB -0.566 37.431 38.000 -0.004 0.000 1.054 369 I HN 0.027 nan 8.210 nan 0.000 0.402 370 K N 0.969 121.396 120.400 0.044 0.000 2.144 370 K HA -0.236 4.063 4.320 -0.034 0.000 0.209 370 K C 1.949 178.568 176.600 0.032 0.000 1.047 370 K CA 1.868 58.170 56.287 0.025 0.000 0.927 370 K CB -0.419 32.089 32.500 0.013 0.000 0.716 370 K HN 0.481 nan 8.250 nan 0.000 0.454 371 G N 0.593 109.428 108.800 0.058 0.000 2.524 371 G HA2 -0.284 3.656 3.960 -0.034 0.000 0.215 371 G HA3 -0.284 3.656 3.960 -0.034 0.000 0.215 371 G C 1.055 175.976 174.900 0.036 0.000 1.239 371 G CA 1.167 46.301 45.100 0.056 0.000 0.798 371 G HN 0.466 nan 8.290 nan 0.000 0.557 372 N N -0.009 118.730 118.700 0.065 0.000 2.091 372 N HA -0.122 4.598 4.740 -0.034 0.000 0.193 372 N C 0.733 176.085 175.510 -0.263 0.000 1.021 372 N CA 0.261 53.266 53.050 -0.075 0.000 0.862 372 N CB -0.156 38.529 38.487 0.329 0.000 1.018 372 N HN 0.167 nan 8.380 nan 0.000 0.429 373 L N 1.285 122.471 121.223 -0.061 0.000 2.400 373 L HA 0.042 4.362 4.340 -0.034 0.000 0.262 373 L C 0.776 177.611 176.870 -0.059 0.000 1.309 373 L CA 1.041 55.839 54.840 -0.069 0.000 1.186 373 L CB -0.679 41.368 42.059 -0.020 0.000 1.375 373 L HN 0.083 nan 8.230 nan 0.000 0.433 374 K N -0.440 119.915 120.400 -0.076 0.000 2.954 374 K HA 0.076 4.376 4.320 -0.034 0.000 0.181 374 K C 1.076 177.690 176.600 0.024 0.000 2.022 374 K CA -0.127 56.162 56.287 0.003 0.000 1.440 374 K CB -0.167 32.367 32.500 0.056 0.000 2.298 374 K HN 0.555 nan 8.250 nan 0.000 0.597 375 H N 1.792 120.680 119.070 -0.304 0.000 2.565 375 H HA 0.014 4.547 4.556 -0.038 0.000 0.285 375 H C -0.065 175.186 175.328 -0.129 0.000 1.064 375 H CA 0.407 56.299 56.048 -0.261 0.000 1.196 375 H CB -0.433 29.040 29.762 -0.482 0.000 1.332 375 H HN -0.061 nan 8.280 nan 0.000 0.621 376 V N -0.131 119.753 119.914 -0.049 0.000 2.389 376 V HA 0.168 4.268 4.120 -0.034 0.000 0.264 376 V C 0.967 177.079 176.094 0.029 0.000 1.049 376 V CA -0.856 61.385 62.300 -0.099 0.000 0.932 376 V CB 0.270 31.906 31.823 -0.312 0.000 1.011 376 V HN 0.097 nan 8.190 nan 0.000 0.475 377 V N 0.000 119.995 119.914 0.135 0.000 2.409 377 V HA 0.000 4.100 4.120 -0.034 0.000 0.244 377 V CA 0.000 62.355 62.300 0.091 0.000 1.235 377 V CB 0.000 31.863 31.823 0.066 0.000 1.184 377 V HN 0.000 nan 8.190 nan 0.000 0.556