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 1hr6_1_D DATA FIRST_RESID 20 DATA SEQUENCE ASQIPGTRTS KLPNGLTIAT EYIPNTSSAT VGIFVDAGSR AENVKNNGTA DATA SEQUENCE HFLEHLAFKG TQNRPQQGIE LEIENIGSHL NAYTSRENTV YYAKSLQEDI DATA SEQUENCE PKAVDILSDI LTKSVLDNSA IERERDVIIR ESEEVDKMYD EVVFDHLHEI DATA SEQUENCE TYKDQPLGRT ILGPIKNIKS ITRTDLKDYI TKNYKGDRMV LAGAGAVDHE DATA SEQUENCE KLVQYAQKYF GHVPKSESPV PLGSPRGPLP VFCRGERFIK ENTLPTTHIA DATA SEQUENCE IALEGVSWSA PDYFVALATQ AIVGNWDRAI GTGTNSPSPL AVAASQNGSL DATA SEQUENCE ANSYMSFSTS YADSGLWGMY IVTDSNEHNV RLIVNEILKE WKRIKSGKIS DATA SEQUENCE DAEVNRAKAQ LKAALLLSLD GSTAIVEDIG RQVVTTGKRL SPEEVFEQVD DATA SEQUENCE KITKDDIIMW ANYRLQNKPV SMVALGNTST VPNVSYIEEK LNQ 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.590 177.584 0.010 0.000 1.274 20 A CA 0.000 52.041 52.037 0.008 0.000 0.836 20 A CB 0.000 19.004 19.000 0.007 0.000 0.831 21 S N -2.455 113.249 115.700 0.008 0.000 3.894 21 S HA 0.593 5.063 4.470 -0.000 0.000 0.189 21 S C -0.942 173.666 174.600 0.013 0.000 1.096 21 S CA 0.750 58.955 58.200 0.008 0.000 1.481 21 S CB -0.014 63.185 63.200 -0.001 0.000 1.321 21 S HN 1.841 nan 8.310 nan 0.000 0.828 22 Q N 1.568 121.371 119.800 0.004 0.000 2.486 22 Q HA -0.066 4.274 4.340 -0.000 0.000 0.277 22 Q C -0.409 175.597 176.000 0.010 0.000 1.324 22 Q CA 0.994 56.800 55.803 0.004 0.000 0.738 22 Q CB -1.760 26.983 28.738 0.008 0.000 0.849 22 Q HN 0.882 nan 8.270 nan 0.000 0.311 23 I N 0.189 120.757 120.570 -0.003 0.000 2.556 23 I HA 0.405 4.575 4.170 -0.000 0.000 0.284 23 I C -1.420 174.700 176.117 0.006 0.000 1.114 23 I CA -1.907 59.391 61.300 -0.004 0.000 1.418 23 I CB 0.264 38.250 38.000 -0.023 0.000 1.394 23 I HN 0.240 nan 8.210 nan 0.000 0.552 24 P HA 0.159 nan 4.420 nan 0.000 0.264 24 P C 0.159 177.465 177.300 0.010 0.000 1.183 24 P CA 0.104 63.225 63.100 0.035 0.000 0.763 24 P CB 0.665 32.399 31.700 0.057 0.000 0.807 25 G N 1.077 109.879 108.800 0.003 0.000 2.705 25 G HA2 0.529 4.489 3.960 -0.000 0.000 0.299 25 G HA3 0.529 4.489 3.960 -0.000 0.000 0.299 25 G C -1.025 173.857 174.900 -0.029 0.000 1.315 25 G CA -0.517 44.573 45.100 -0.017 0.000 1.045 25 G HN 0.361 nan 8.290 nan 0.000 0.517 26 T N 1.751 116.276 114.554 -0.049 0.000 2.743 26 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 26 T C 0.089 174.712 174.700 -0.128 0.000 0.972 26 T CA -0.483 61.574 62.100 -0.072 0.000 0.967 26 T CB 0.685 69.515 68.868 -0.063 0.000 0.926 26 T HN 0.315 nan 8.240 nan 0.000 0.459 27 R N 2.690 123.054 120.500 -0.227 0.000 2.390 27 R HA 0.494 4.834 4.340 -0.000 0.000 0.291 27 R C -0.226 175.819 176.300 -0.424 0.000 1.070 27 R CA -0.384 55.451 56.100 -0.442 0.000 1.014 27 R CB 0.551 30.339 30.300 -0.853 0.000 1.007 27 R HN 0.471 nan 8.270 nan 0.000 0.466 28 T N 0.841 115.263 114.554 -0.220 0.000 2.876 28 T HA 0.442 4.792 4.350 -0.000 0.000 0.289 28 T C -0.558 174.220 174.700 0.129 0.000 1.014 28 T CA -0.514 61.582 62.100 -0.007 0.000 0.986 28 T CB 1.896 70.753 68.868 -0.018 0.000 1.021 28 T HN 0.432 nan 8.240 nan 0.000 0.458 29 S N 1.713 117.530 115.700 0.193 0.000 2.536 29 S HA 0.541 5.011 4.470 -0.000 0.000 0.271 29 S C -0.998 173.635 174.600 0.055 0.000 1.134 29 S CA -0.905 57.376 58.200 0.135 0.000 0.897 29 S CB 2.067 65.352 63.200 0.141 0.000 1.094 29 S HN 0.536 nan 8.310 nan 0.000 0.473 30 K N 1.434 121.851 120.400 0.028 0.000 2.207 30 K HA 0.606 4.926 4.320 -0.000 0.000 0.255 30 K C -1.193 175.409 176.600 0.004 0.000 0.941 30 K CA -0.717 55.576 56.287 0.010 0.000 0.825 30 K CB 1.155 33.658 32.500 0.006 0.000 1.119 30 K HN 0.331 nan 8.250 nan 0.000 0.430 31 L N 4.528 125.751 121.223 -0.001 0.000 2.416 31 L HA 0.339 4.679 4.340 -0.000 0.000 0.262 31 L C -1.418 175.454 176.870 0.004 0.000 1.093 31 L CA -1.779 53.062 54.840 0.002 0.000 0.801 31 L CB 0.850 42.915 42.059 0.009 0.000 1.191 31 L HN 0.583 nan 8.230 nan 0.000 0.459 32 P HA -0.172 nan 4.420 nan 0.000 0.216 32 P C 0.426 177.731 177.300 0.007 0.000 1.150 32 P CA 1.449 64.553 63.100 0.005 0.000 0.837 32 P CB -0.132 31.571 31.700 0.005 0.000 0.786 33 N N -0.940 117.766 118.700 0.010 0.000 2.521 33 N HA 0.053 4.793 4.740 -0.000 0.000 0.188 33 N C 1.399 176.912 175.510 0.005 0.000 1.146 33 N CA 1.098 54.154 53.050 0.009 0.000 0.893 33 N CB -0.910 37.583 38.487 0.011 0.000 0.975 33 N HN 0.313 nan 8.380 nan 0.000 0.451 34 G N -0.742 108.059 108.800 0.003 0.000 2.259 34 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 34 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 34 G C -0.197 174.698 174.900 -0.009 0.000 1.001 34 G CA 0.000 45.099 45.100 -0.001 0.000 0.627 34 G HN 0.461 nan 8.290 nan 0.000 0.501 35 L N 3.296 124.511 121.223 -0.014 0.000 2.559 35 L HA 0.524 4.864 4.340 -0.000 0.000 0.274 35 L C 0.573 177.421 176.870 -0.036 0.000 1.205 35 L CA 0.941 55.759 54.840 -0.037 0.000 0.907 35 L CB 0.454 42.483 42.059 -0.050 0.000 1.153 35 L HN 0.214 nan 8.230 nan 0.000 0.490 36 T N 6.443 120.970 114.554 -0.045 0.000 2.875 36 T HA 0.536 4.886 4.350 -0.000 0.000 0.284 36 T C -0.174 174.505 174.700 -0.035 0.000 0.995 36 T CA -0.351 61.730 62.100 -0.031 0.000 1.060 36 T CB 0.972 69.818 68.868 -0.036 0.000 0.967 36 T HN 0.324 nan 8.240 nan 0.000 0.476 37 I N 2.679 123.252 120.570 0.006 0.000 2.382 37 I HA 0.566 4.736 4.170 -0.000 0.000 0.285 37 I C 0.081 176.278 176.117 0.133 0.000 1.007 37 I CA -1.152 60.170 61.300 0.036 0.000 1.142 37 I CB 0.536 38.536 38.000 0.001 0.000 1.289 37 I HN 0.682 nan 8.210 nan 0.000 0.453 38 A N 4.538 127.402 122.820 0.072 0.000 2.331 38 A HA 0.859 5.179 4.320 -0.000 0.000 0.320 38 A C -0.216 177.410 177.584 0.069 0.000 1.138 38 A CA -0.452 51.612 52.037 0.045 0.000 0.790 38 A CB 1.467 20.433 19.000 -0.056 0.000 1.206 38 A HN 0.620 nan 8.150 nan 0.000 0.470 39 T N 1.058 115.649 114.554 0.061 0.000 2.916 39 T HA 0.546 4.896 4.350 -0.000 0.000 0.305 39 T C -1.407 173.310 174.700 0.028 0.000 1.119 39 T CA -0.375 61.781 62.100 0.093 0.000 1.008 39 T CB 1.513 70.556 68.868 0.292 0.000 1.129 39 T HN 0.712 nan 8.240 nan 0.000 0.480 40 E N 2.329 122.563 120.200 0.058 0.000 2.283 40 E HA 0.279 4.629 4.350 -0.000 0.000 0.258 40 E C -1.661 174.999 176.600 0.100 0.000 0.893 40 E CA -0.643 55.789 56.400 0.054 0.000 0.798 40 E CB 1.129 30.836 29.700 0.012 0.000 1.242 40 E HN 0.633 nan 8.360 nan 0.000 0.414 41 Y N 5.603 125.910 120.300 0.012 0.000 2.359 41 Y HA 0.251 4.801 4.550 -0.000 0.000 0.330 41 Y C -0.694 175.214 175.900 0.015 0.000 1.143 41 Y CA -0.264 57.850 58.100 0.023 0.000 1.318 41 Y CB 0.521 38.995 38.460 0.024 0.000 1.234 41 Y HN 0.375 nan 8.280 nan 0.000 0.522 42 I N 9.073 129.216 120.570 -0.710 0.000 2.382 42 I HA 0.302 4.472 4.170 -0.000 0.000 0.285 42 I C -2.404 173.156 176.117 -0.929 0.000 1.007 42 I CA -2.926 58.028 61.300 -0.576 0.000 1.142 42 I CB 0.949 38.777 38.000 -0.285 0.000 1.289 42 I HN 0.542 nan 8.210 nan 0.000 0.453 43 P HA 0.117 nan 4.420 nan 0.000 0.268 43 P C -0.085 177.101 177.300 -0.190 0.000 1.208 43 P CA 0.121 63.004 63.100 -0.362 0.000 0.777 43 P CB 0.261 31.943 31.700 -0.030 0.000 0.875 44 N N -1.546 117.119 118.700 -0.059 0.000 2.738 44 N HA -0.125 4.615 4.740 -0.000 0.000 0.249 44 N C -0.706 174.777 175.510 -0.045 0.000 1.047 44 N CA 0.593 53.629 53.050 -0.025 0.000 0.707 44 N CB -1.315 37.161 38.487 -0.019 0.000 0.937 44 N HN 0.628 nan 8.380 nan 0.000 0.545 45 T N -4.421 110.102 114.554 -0.052 0.000 2.900 45 T HA 0.601 4.951 4.350 -0.000 0.000 0.303 45 T C 0.299 175.003 174.700 0.007 0.000 1.142 45 T CA -0.718 61.359 62.100 -0.038 0.000 1.007 45 T CB 2.211 71.031 68.868 -0.081 0.000 1.156 45 T HN -0.080 nan 8.240 nan 0.000 0.490 46 S N 0.673 116.384 115.700 0.018 0.000 2.819 46 S HA 0.416 4.886 4.470 -0.000 0.000 0.249 46 S C 0.355 174.979 174.600 0.039 0.000 1.030 46 S CA -0.399 57.824 58.200 0.037 0.000 1.052 46 S CB 0.054 63.274 63.200 0.033 0.000 1.017 46 S HN 1.040 nan 8.310 nan 0.000 0.576 47 S N 0.726 116.447 115.700 0.034 0.000 2.697 47 S HA 0.997 5.467 4.470 -0.000 0.000 0.289 47 S C -0.557 174.071 174.600 0.047 0.000 1.149 47 S CA -0.666 57.561 58.200 0.044 0.000 0.850 47 S CB 2.007 65.235 63.200 0.047 0.000 1.151 47 S HN 0.433 nan 8.310 nan 0.000 0.491 48 A N 0.112 122.970 122.820 0.063 0.000 2.493 48 A HA 0.873 5.193 4.320 -0.000 0.000 0.300 48 A C -1.111 176.531 177.584 0.097 0.000 1.152 48 A CA -0.811 51.269 52.037 0.071 0.000 0.643 48 A CB 1.079 20.126 19.000 0.078 0.000 1.316 48 A HN 0.896 nan 8.150 nan 0.000 0.469 49 T N 0.393 115.011 114.554 0.108 0.000 2.921 49 T HA 0.611 4.961 4.350 -0.000 0.000 0.297 49 T C -1.329 173.465 174.700 0.157 0.000 1.013 49 T CA -0.306 61.884 62.100 0.151 0.000 0.990 49 T CB 1.411 70.368 68.868 0.148 0.000 1.023 49 T HN 0.946 nan 8.240 nan 0.000 0.447 50 V N 1.939 121.965 119.914 0.187 0.000 2.588 50 V HA 0.931 5.051 4.120 -0.000 0.000 0.304 50 V C 0.275 176.513 176.094 0.240 0.000 1.042 50 V CA -0.665 61.743 62.300 0.182 0.000 0.877 50 V CB 2.003 33.908 31.823 0.136 0.000 0.996 50 V HN 1.076 nan 8.190 nan 0.000 0.425 51 G N 2.936 111.902 108.800 0.275 0.000 2.682 51 G HA2 0.684 4.643 3.960 -0.000 0.000 0.300 51 G HA3 0.684 4.643 3.960 -0.000 0.000 0.300 51 G C -1.920 173.137 174.900 0.260 0.000 1.391 51 G CA -0.651 44.614 45.100 0.276 0.000 0.990 51 G HN 0.577 nan 8.290 nan 0.000 0.501 52 I N 1.164 121.776 120.570 0.071 0.000 2.330 52 I HA 0.698 4.868 4.170 -0.000 0.000 0.289 52 I C -1.502 174.584 176.117 -0.051 0.000 1.001 52 I CA -1.786 59.525 61.300 0.019 0.000 1.193 52 I CB 0.464 38.411 38.000 -0.088 0.000 1.345 52 I HN 0.210 nan 8.210 nan 0.000 0.461 53 F N 6.664 126.564 119.950 -0.083 0.000 2.427 53 F HA 0.610 5.137 4.527 -0.000 0.000 0.346 53 F C -0.150 175.604 175.800 -0.076 0.000 1.120 53 F CA -0.821 57.140 58.000 -0.066 0.000 1.033 53 F CB 1.654 40.615 39.000 -0.064 0.000 1.126 53 F HN 0.054 nan 8.300 nan 0.000 0.462 54 V N 2.272 122.230 119.914 0.073 0.000 2.487 54 V HA 0.212 4.332 4.120 -0.000 0.000 0.298 54 V C -0.513 175.635 176.094 0.090 0.000 1.028 54 V CA -1.024 61.295 62.300 0.031 0.000 0.860 54 V CB 1.773 33.544 31.823 -0.085 0.000 0.991 54 V HN 0.615 nan 8.190 nan 0.000 0.427 55 D N 3.916 124.366 120.400 0.084 0.000 2.346 55 D HA 0.482 5.122 4.640 -0.000 0.000 0.267 55 D C 0.304 176.674 176.300 0.117 0.000 1.320 55 D CA 1.135 55.194 54.000 0.099 0.000 0.951 55 D CB 0.973 41.815 40.800 0.071 0.000 1.079 55 D HN 0.740 nan 8.370 nan 0.000 0.509 56 A N 2.785 125.702 122.820 0.162 0.000 1.568 56 A HA 0.679 4.999 4.320 -0.000 0.000 0.147 56 A C 1.073 178.819 177.584 0.271 0.000 1.552 56 A CA 0.543 52.715 52.037 0.224 0.000 2.807 56 A CB -0.412 18.796 19.000 0.348 0.000 2.976 56 A HN 1.228 nan 8.150 nan 0.000 1.316 57 G N -0.482 108.517 108.800 0.332 0.000 2.740 57 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.250 57 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.250 57 G C 1.081 176.134 174.900 0.255 0.000 1.358 57 G CA 1.267 46.521 45.100 0.256 0.000 0.897 57 G HN 2.145 nan 8.290 nan 0.000 0.567 58 S N -0.214 115.579 115.700 0.155 0.000 2.442 58 S HA -0.183 4.287 4.470 -0.000 0.000 0.236 58 S C 2.151 176.813 174.600 0.102 0.000 1.007 58 S CA 1.777 60.046 58.200 0.115 0.000 0.965 58 S CB -0.277 62.955 63.200 0.053 0.000 0.773 58 S HN 1.324 nan 8.310 nan 0.000 0.504 59 R N 1.187 121.733 120.500 0.076 0.000 2.285 59 R HA 0.261 4.601 4.340 -0.000 0.000 0.213 59 R C 1.850 178.188 176.300 0.065 0.000 1.068 59 R CA 0.943 57.059 56.100 0.027 0.000 1.004 59 R CB -0.530 29.755 30.300 -0.025 0.000 0.873 59 R HN 0.442 nan 8.270 nan 0.000 0.467 60 A N 0.778 123.680 122.820 0.138 0.000 2.238 60 A HA 0.095 4.415 4.320 -0.000 0.000 0.210 60 A C 0.071 177.748 177.584 0.154 0.000 1.179 60 A CA -0.119 51.987 52.037 0.115 0.000 0.827 60 A CB 0.018 19.066 19.000 0.081 0.000 0.856 60 A HN 0.488 nan 8.150 nan 0.000 0.488 61 E N 0.276 120.596 120.200 0.200 0.000 2.292 61 E HA 0.413 4.763 4.350 -0.000 0.000 0.258 61 E C -0.578 176.078 176.600 0.093 0.000 1.115 61 E CA -0.640 55.869 56.400 0.181 0.000 0.929 61 E CB 0.476 30.276 29.700 0.166 0.000 1.161 61 E HN 0.615 nan 8.360 nan 0.000 0.453 62 N N -2.173 116.573 118.700 0.076 0.000 2.701 62 N HA 0.170 4.910 4.740 -0.000 0.000 0.290 62 N C 0.333 175.867 175.510 0.041 0.000 1.338 62 N CA -0.758 52.320 53.050 0.047 0.000 0.799 62 N CB 0.449 38.960 38.487 0.039 0.000 1.491 62 N HN 0.162 nan 8.380 nan 0.000 0.540 63 V N -0.303 119.628 119.914 0.030 0.000 2.380 63 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 63 V C 1.794 177.903 176.094 0.025 0.000 1.063 63 V CA 1.694 64.009 62.300 0.024 0.000 1.055 63 V CB -0.703 31.131 31.823 0.019 0.000 0.657 63 V HN 0.640 nan 8.190 nan 0.000 0.455 64 K N -0.364 120.052 120.400 0.026 0.000 2.314 64 K HA 0.047 4.367 4.320 -0.000 0.000 0.198 64 K C 1.896 178.513 176.600 0.028 0.000 1.045 64 K CA 0.527 56.828 56.287 0.023 0.000 0.988 64 K CB -0.442 32.069 32.500 0.017 0.000 0.783 64 K HN 0.386 nan 8.250 nan 0.000 0.484 65 N N 1.786 120.510 118.700 0.041 0.000 2.250 65 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 65 N C 0.185 175.728 175.510 0.056 0.000 1.017 65 N CA 0.209 53.293 53.050 0.057 0.000 0.866 65 N CB -0.301 38.240 38.487 0.090 0.000 0.985 65 N HN 0.220 nan 8.380 nan 0.000 0.429 66 N N -0.255 118.478 118.700 0.054 0.000 1.923 66 N HA -0.128 4.612 4.740 -0.000 0.000 0.305 66 N C 0.551 176.094 175.510 0.055 0.000 1.339 66 N CA 0.864 53.944 53.050 0.050 0.000 0.825 66 N CB -0.128 38.380 38.487 0.036 0.000 1.095 66 N HN 0.504 nan 8.380 nan 0.000 0.498 67 G N 1.866 110.701 108.800 0.058 0.000 2.211 67 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.201 67 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.201 67 G C 0.930 175.903 174.900 0.121 0.000 0.997 67 G CA 0.305 45.461 45.100 0.094 0.000 0.652 67 G HN 0.582 nan 8.290 nan 0.000 0.500 68 T N 1.339 115.909 114.554 0.027 0.000 2.708 68 T HA 0.146 4.496 4.350 -0.000 0.000 0.266 68 T C 2.795 177.385 174.700 -0.183 0.000 1.037 68 T CA 2.535 64.596 62.100 -0.065 0.000 1.146 68 T CB -0.492 68.285 68.868 -0.151 0.000 0.865 68 T HN 1.181 nan 8.240 nan 0.000 0.435 69 A N 1.407 123.998 122.820 -0.381 0.000 1.892 69 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 69 A C 2.143 179.736 177.584 0.014 0.000 1.188 69 A CA 2.129 53.955 52.037 -0.353 0.000 0.631 69 A CB -1.122 17.764 19.000 -0.191 0.000 0.822 69 A HN 0.750 nan 8.150 nan 0.000 0.447 70 H N -2.495 116.569 119.070 -0.010 0.000 2.353 70 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 70 H C 1.977 177.347 175.328 0.070 0.000 1.090 70 H CA 1.780 57.851 56.048 0.039 0.000 1.327 70 H CB -0.222 29.533 29.762 -0.012 0.000 1.383 70 H HN 0.440 nan 8.280 nan 0.000 0.508 71 F N 1.355 121.199 119.950 -0.177 0.000 2.095 71 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 71 F C 2.621 178.365 175.800 -0.093 0.000 1.104 71 F CA 1.140 59.003 58.000 -0.228 0.000 1.232 71 F CB -0.626 38.292 39.000 -0.136 0.000 0.987 71 F HN 0.103 nan 8.300 nan 0.000 0.475 72 L N -0.277 121.069 121.223 0.206 0.000 2.042 72 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 72 L C 2.534 179.571 176.870 0.279 0.000 1.076 72 L CA 1.851 56.812 54.840 0.201 0.000 0.749 72 L CB -0.737 41.413 42.059 0.152 0.000 0.893 72 L HN 0.211 nan 8.230 nan 0.000 0.432 73 E N -0.371 119.979 120.200 0.249 0.000 2.049 73 E HA -0.292 4.058 4.350 -0.000 0.000 0.198 73 E C 2.097 178.886 176.600 0.314 0.000 1.007 73 E CA 1.734 58.279 56.400 0.240 0.000 0.809 73 E CB -0.131 29.647 29.700 0.131 0.000 0.749 73 E HN 0.603 nan 8.360 nan 0.000 0.450 74 H N -0.624 118.460 119.070 0.024 0.000 2.352 74 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 74 H C 2.125 177.567 175.328 0.191 0.000 1.097 74 H CA 1.055 57.128 56.048 0.042 0.000 1.311 74 H CB 0.166 29.817 29.762 -0.186 0.000 1.377 74 H HN 0.198 nan 8.280 nan 0.000 0.504 75 L N 0.641 122.051 121.223 0.312 0.000 2.275 75 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 75 L C 2.668 179.649 176.870 0.184 0.000 1.119 75 L CA 0.967 55.949 54.840 0.237 0.000 0.790 75 L CB -1.273 40.911 42.059 0.208 0.000 0.919 75 L HN 0.199 nan 8.230 nan 0.000 0.443 76 A N -1.310 121.630 122.820 0.200 0.000 2.076 76 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 76 A C 1.770 179.224 177.584 -0.216 0.000 1.160 76 A CA 1.326 53.360 52.037 -0.004 0.000 0.653 76 A CB -0.707 18.357 19.000 0.108 0.000 0.801 76 A HN 0.373 nan 8.150 nan 0.000 0.455 77 F N -1.002 118.994 119.950 0.075 0.000 2.695 77 F HA 0.207 4.734 4.527 -0.000 0.000 0.303 77 F C 1.682 177.493 175.800 0.018 0.000 1.091 77 F CA 0.146 58.164 58.000 0.030 0.000 1.300 77 F CB 0.538 39.538 39.000 -0.000 0.000 1.071 77 F HN -0.047 nan 8.300 nan 0.000 0.578 78 K N 0.516 121.017 120.400 0.169 0.000 2.361 78 K HA 0.375 4.695 4.320 -0.000 0.000 0.196 78 K C 0.868 177.504 176.600 0.061 0.000 1.039 78 K CA 0.681 57.035 56.287 0.112 0.000 1.001 78 K CB -0.028 32.539 32.500 0.112 0.000 0.795 78 K HN 0.266 nan 8.250 nan 0.000 0.495 79 G N 0.802 109.621 108.800 0.032 0.000 2.306 79 G HA2 0.051 4.011 3.960 -0.000 0.000 0.340 79 G HA3 0.051 4.011 3.960 -0.000 0.000 0.340 79 G C -0.666 174.225 174.900 -0.015 0.000 1.630 79 G CA -0.456 44.648 45.100 0.006 0.000 0.937 79 G HN 0.060 nan 8.290 nan 0.000 0.693 80 T N -1.611 112.925 114.554 -0.031 0.000 2.883 80 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 80 T C 1.038 175.717 174.700 -0.035 0.000 1.041 80 T CA -0.345 61.730 62.100 -0.042 0.000 1.007 80 T CB 1.875 70.702 68.868 -0.067 0.000 1.220 80 T HN 0.560 nan 8.240 nan 0.000 0.552 81 Q N 0.246 120.023 119.800 -0.039 0.000 2.541 81 Q HA 0.061 4.401 4.340 -0.000 0.000 0.215 81 Q C 0.974 176.952 176.000 -0.037 0.000 0.977 81 Q CA 0.658 56.440 55.803 -0.035 0.000 0.934 81 Q CB -0.153 28.562 28.738 -0.038 0.000 0.988 81 Q HN 0.501 nan 8.270 nan 0.000 0.521 82 N N -0.100 118.574 118.700 -0.043 0.000 2.380 82 N HA 0.122 4.862 4.740 -0.000 0.000 0.227 82 N C -0.225 175.263 175.510 -0.036 0.000 1.139 82 N CA 0.238 53.264 53.050 -0.041 0.000 0.843 82 N CB 0.983 39.440 38.487 -0.051 0.000 1.327 82 N HN 0.044 nan 8.380 nan 0.000 0.470 83 R N 1.466 121.942 120.500 -0.039 0.000 2.532 83 R HA 0.423 4.763 4.340 -0.000 0.000 0.297 83 R C -2.613 173.673 176.300 -0.022 0.000 0.984 83 R CA -1.426 54.655 56.100 -0.033 0.000 0.884 83 R CB 2.711 32.985 30.300 -0.043 0.000 1.182 83 R HN 0.012 nan 8.270 nan 0.000 0.442 84 P HA -0.006 nan 4.420 nan 0.000 0.277 84 P C -0.091 177.212 177.300 0.005 0.000 1.271 84 P CA -0.316 62.783 63.100 -0.003 0.000 0.795 84 P CB 0.987 32.686 31.700 -0.002 0.000 1.101 85 Q N 0.108 119.919 119.800 0.018 0.000 1.985 85 Q HA -0.253 4.087 4.340 -0.000 0.000 0.207 85 Q C 2.095 178.112 176.000 0.029 0.000 0.996 85 Q CA 1.778 57.602 55.803 0.035 0.000 0.851 85 Q CB -0.473 28.291 28.738 0.045 0.000 0.921 85 Q HN 0.411 nan 8.270 nan 0.000 0.418 86 Q N -0.607 119.204 119.800 0.018 0.000 2.443 86 Q HA -0.133 4.207 4.340 -0.000 0.000 0.213 86 Q C 1.594 177.596 176.000 0.004 0.000 0.982 86 Q CA 1.242 57.051 55.803 0.011 0.000 0.894 86 Q CB -0.134 28.608 28.738 0.006 0.000 0.947 86 Q HN 0.569 nan 8.270 nan 0.000 0.480 87 G N 0.375 109.176 108.800 0.001 0.000 2.426 87 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.214 87 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.214 87 G C 1.419 176.312 174.900 -0.011 0.000 1.156 87 G CA 0.174 45.269 45.100 -0.008 0.000 0.802 87 G HN 0.304 nan 8.290 nan 0.000 0.534 88 I N 0.631 121.198 120.570 -0.003 0.000 2.163 88 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 88 I C 2.722 178.844 176.117 0.009 0.000 1.081 88 I CA 1.138 62.437 61.300 -0.003 0.000 1.353 88 I CB -0.333 37.676 38.000 0.014 0.000 1.054 88 I HN 0.216 nan 8.210 nan 0.000 0.407 89 E N 0.931 121.146 120.200 0.025 0.000 2.021 89 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 89 E C 2.250 178.845 176.600 -0.009 0.000 1.015 89 E CA 1.377 57.786 56.400 0.015 0.000 0.824 89 E CB -0.371 29.338 29.700 0.014 0.000 0.762 89 E HN 0.336 nan 8.360 nan 0.000 0.454 90 L N 1.405 122.621 121.223 -0.011 0.000 2.127 90 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 90 L C 2.177 179.031 176.870 -0.026 0.000 1.089 90 L CA 1.808 56.637 54.840 -0.019 0.000 0.757 90 L CB -0.509 41.541 42.059 -0.014 0.000 0.899 90 L HN 0.247 nan 8.230 nan 0.000 0.434 91 E N -0.456 119.728 120.200 -0.027 0.000 2.072 91 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 91 E C 2.263 178.836 176.600 -0.046 0.000 0.982 91 E CA 0.838 57.217 56.400 -0.035 0.000 0.803 91 E CB 0.172 29.849 29.700 -0.038 0.000 0.755 91 E HN 0.395 nan 8.360 nan 0.000 0.453 92 I N 1.506 122.048 120.570 -0.047 0.000 2.252 92 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 92 I C 2.083 178.142 176.117 -0.096 0.000 1.102 92 I CA 1.424 62.684 61.300 -0.067 0.000 1.385 92 I CB -0.973 36.995 38.000 -0.053 0.000 1.064 92 I HN 0.209 nan 8.210 nan 0.000 0.414 93 E N 0.569 120.720 120.200 -0.082 0.000 2.268 93 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 93 E C 1.648 178.206 176.600 -0.069 0.000 0.995 93 E CA 0.509 56.855 56.400 -0.090 0.000 0.836 93 E CB -0.047 29.616 29.700 -0.062 0.000 0.763 93 E HN 0.494 nan 8.360 nan 0.000 0.491 94 N N 1.015 119.684 118.700 -0.053 0.000 2.354 94 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 94 N C 1.879 177.365 175.510 -0.041 0.000 1.021 94 N CA 0.758 53.784 53.050 -0.039 0.000 0.887 94 N CB 0.099 38.568 38.487 -0.030 0.000 0.974 94 N HN 0.368 nan 8.380 nan 0.000 0.437 95 I N -3.853 116.686 120.570 -0.051 0.000 3.928 95 I HA 0.395 4.565 4.170 -0.000 0.000 0.335 95 I C 0.774 176.856 176.117 -0.058 0.000 1.325 95 I CA -0.074 61.199 61.300 -0.046 0.000 1.107 95 I CB -0.160 37.814 38.000 -0.043 0.000 1.014 95 I HN -0.084 nan 8.210 nan 0.000 0.400 96 G N 1.776 110.523 108.800 -0.089 0.000 2.221 96 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.265 96 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.265 96 G C 0.091 174.872 174.900 -0.198 0.000 1.041 96 G CA 0.501 45.525 45.100 -0.127 0.000 0.807 96 G HN 0.513 nan 8.290 nan 0.000 0.502 97 S N -0.479 115.085 115.700 -0.226 0.000 2.719 97 S HA 0.831 5.301 4.470 -0.000 0.000 0.285 97 S C -0.063 174.260 174.600 -0.461 0.000 1.137 97 S CA -0.677 57.404 58.200 -0.198 0.000 1.012 97 S CB 1.020 64.172 63.200 -0.080 0.000 1.134 97 S HN 0.442 nan 8.310 nan 0.000 0.544 98 H N -0.104 118.969 119.070 0.005 0.000 2.865 98 H HA 0.495 5.051 4.556 -0.000 0.000 0.362 98 H C -1.544 173.759 175.328 -0.041 0.000 1.114 98 H CA -0.586 55.455 56.048 -0.012 0.000 1.208 98 H CB 1.605 31.366 29.762 -0.001 0.000 1.727 98 H HN 0.201 nan 8.280 nan 0.000 0.534 99 L N 3.212 124.472 121.223 0.062 0.000 2.356 99 L HA 0.409 4.749 4.340 -0.000 0.000 0.277 99 L C -0.559 176.299 176.870 -0.021 0.000 0.996 99 L CA -0.319 54.547 54.840 0.044 0.000 0.822 99 L CB 1.144 43.324 42.059 0.202 0.000 1.256 99 L HN 0.609 nan 8.230 nan 0.000 0.413 100 N N 2.620 121.156 118.700 -0.273 0.000 2.610 100 N HA 0.896 5.636 4.740 -0.000 0.000 0.264 100 N C -1.629 173.733 175.510 -0.245 0.000 1.348 100 N CA -0.565 52.290 53.050 -0.326 0.000 0.819 100 N CB 2.412 40.566 38.487 -0.555 0.000 1.521 100 N HN 0.628 nan 8.380 nan 0.000 0.497 101 A N 0.319 123.117 122.820 -0.037 0.000 2.610 101 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 101 A C -2.146 175.438 177.584 -0.000 0.000 1.086 101 A CA -0.600 51.334 52.037 -0.173 0.000 0.677 101 A CB 1.372 20.050 19.000 -0.536 0.000 1.278 101 A HN 0.703 nan 8.150 nan 0.000 0.414 102 Y N -2.353 117.864 120.300 -0.139 0.000 2.656 102 Y HA 0.820 5.370 4.550 -0.000 0.000 0.334 102 Y C -0.695 175.183 175.900 -0.036 0.000 1.179 102 Y CA -0.908 57.167 58.100 -0.041 0.000 1.050 102 Y CB 1.009 39.478 38.460 0.016 0.000 1.308 102 Y HN 0.543 nan 8.280 nan 0.000 0.456 103 T N 2.347 117.045 114.554 0.240 0.000 2.841 103 T HA 0.625 4.975 4.350 -0.000 0.000 0.285 103 T C -0.584 174.255 174.700 0.232 0.000 0.991 103 T CA -0.667 61.542 62.100 0.182 0.000 0.966 103 T CB 1.199 70.177 68.868 0.182 0.000 0.962 103 T HN 0.915 nan 8.240 nan 0.000 0.438 104 S N 2.674 118.517 115.700 0.238 0.000 2.766 104 S HA 0.520 4.990 4.470 -0.000 0.000 0.307 104 S C 1.074 175.777 174.600 0.171 0.000 1.121 104 S CA -1.127 57.205 58.200 0.220 0.000 0.980 104 S CB 1.583 64.960 63.200 0.295 0.000 1.159 104 S HN 0.617 nan 8.310 nan 0.000 0.546 105 R N 0.329 120.922 120.500 0.155 0.000 2.148 105 R HA 0.001 4.341 4.340 -0.000 0.000 0.227 105 R C 1.679 178.050 176.300 0.117 0.000 1.103 105 R CA 1.520 57.670 56.100 0.084 0.000 0.983 105 R CB -0.182 30.105 30.300 -0.020 0.000 0.874 105 R HN 0.736 nan 8.270 nan 0.000 0.451 106 E N -0.438 119.891 120.200 0.214 0.000 2.251 106 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 106 E C -0.184 176.539 176.600 0.206 0.000 0.964 106 E CA 0.354 56.888 56.400 0.223 0.000 0.868 106 E CB 0.396 30.299 29.700 0.338 0.000 0.828 106 E HN 0.330 nan 8.360 nan 0.000 0.481 107 N N -0.825 118.003 118.700 0.213 0.000 2.697 107 N HA 0.321 5.061 4.740 -0.000 0.000 0.272 107 N C -1.355 174.233 175.510 0.130 0.000 1.381 107 N CA -0.592 52.564 53.050 0.175 0.000 0.797 107 N CB 2.115 40.709 38.487 0.179 0.000 1.523 107 N HN -0.257 nan 8.380 nan 0.000 0.518 108 T N 0.482 115.085 114.554 0.083 0.000 2.824 108 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 108 T C -1.185 173.431 174.700 -0.140 0.000 0.993 108 T CA -0.507 61.611 62.100 0.029 0.000 0.967 108 T CB 1.137 70.136 68.868 0.218 0.000 0.960 108 T HN 0.193 nan 8.240 nan 0.000 0.441 109 V N 3.753 123.401 119.914 -0.442 0.000 2.668 109 V HA 0.529 4.649 4.120 -0.000 0.000 0.304 109 V C -1.646 174.112 176.094 -0.561 0.000 1.071 109 V CA -0.986 60.911 62.300 -0.671 0.000 0.894 109 V CB 1.615 32.645 31.823 -1.322 0.000 1.008 109 V HN 0.833 nan 8.190 nan 0.000 0.425 110 Y N 4.717 124.823 120.300 -0.323 0.000 2.425 110 Y HA 0.811 5.361 4.550 -0.000 0.000 0.344 110 Y C -0.339 175.545 175.900 -0.028 0.000 0.969 110 Y CA -1.004 57.013 58.100 -0.139 0.000 1.052 110 Y CB 2.076 40.456 38.460 -0.133 0.000 1.215 110 Y HN 0.757 nan 8.280 nan 0.000 0.451 111 Y N -0.099 120.217 120.300 0.027 0.000 2.625 111 Y HA 0.970 5.520 4.550 -0.000 0.000 0.338 111 Y C -1.533 174.427 175.900 0.100 0.000 1.123 111 Y CA -1.968 56.158 58.100 0.044 0.000 1.046 111 Y CB 1.052 39.520 38.460 0.014 0.000 1.299 111 Y HN 0.705 nan 8.280 nan 0.000 0.464 112 A N 1.974 124.909 122.820 0.191 0.000 2.454 112 A HA 0.854 5.174 4.320 -0.000 0.000 0.302 112 A C -1.543 176.166 177.584 0.207 0.000 1.079 112 A CA -1.269 50.835 52.037 0.111 0.000 0.731 112 A CB 1.802 20.841 19.000 0.066 0.000 1.299 112 A HN 0.707 nan 8.150 nan 0.000 0.413 113 K N 0.890 121.403 120.400 0.190 0.000 2.345 113 K HA 0.714 5.034 4.320 -0.000 0.000 0.255 113 K C -0.886 175.808 176.600 0.156 0.000 0.934 113 K CA -0.319 56.090 56.287 0.204 0.000 0.801 113 K CB 2.056 34.705 32.500 0.249 0.000 1.137 113 K HN 0.953 nan 8.250 nan 0.000 0.424 114 S N 1.384 117.151 115.700 0.110 0.000 2.611 114 S HA 0.438 4.908 4.470 -0.000 0.000 0.268 114 S C -0.996 173.636 174.600 0.054 0.000 1.156 114 S CA -1.091 57.148 58.200 0.064 0.000 0.817 114 S CB 0.447 63.662 63.200 0.024 0.000 1.122 114 S HN 0.268 nan 8.310 nan 0.000 0.466 115 L N 2.490 123.734 121.223 0.035 0.000 2.483 115 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 115 L C 2.442 179.331 176.870 0.031 0.000 1.220 115 L CA 0.238 55.098 54.840 0.033 0.000 0.833 115 L CB 0.060 42.132 42.059 0.023 0.000 1.102 115 L HN 0.972 nan 8.230 nan 0.000 0.490 116 Q N 0.586 120.411 119.800 0.040 0.000 2.197 116 Q HA -0.270 4.070 4.340 -0.000 0.000 0.207 116 Q C 1.101 177.120 176.000 0.031 0.000 0.984 116 Q CA 2.070 57.901 55.803 0.047 0.000 0.869 116 Q CB -0.292 28.485 28.738 0.065 0.000 0.906 116 Q HN 0.762 nan 8.270 nan 0.000 0.426 117 E N 1.617 121.831 120.200 0.023 0.000 2.153 117 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 117 E C 0.963 177.554 176.600 -0.014 0.000 0.988 117 E CA 1.442 57.849 56.400 0.012 0.000 0.811 117 E CB 0.007 29.715 29.700 0.013 0.000 0.746 117 E HN 0.507 nan 8.360 nan 0.000 0.466 118 D N 0.075 120.462 120.400 -0.020 0.000 2.325 118 D HA 0.015 4.655 4.640 -0.000 0.000 0.225 118 D C 1.310 177.566 176.300 -0.072 0.000 1.096 118 D CA 0.028 53.999 54.000 -0.047 0.000 0.844 118 D CB 0.197 40.975 40.800 -0.036 0.000 0.925 118 D HN 0.111 nan 8.370 nan 0.000 0.513 119 I N 2.254 122.784 120.570 -0.066 0.000 2.151 119 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 119 I C -0.351 175.655 176.117 -0.185 0.000 1.080 119 I CA 1.368 62.622 61.300 -0.076 0.000 1.339 119 I CB -2.535 35.443 38.000 -0.035 0.000 1.039 119 I HN 0.056 nan 8.210 nan 0.000 0.409 120 P HA -0.219 nan 4.420 nan 0.000 0.214 120 P C 1.678 178.771 177.300 -0.346 0.000 1.163 120 P CA 1.753 64.511 63.100 -0.570 0.000 0.883 120 P CB -0.082 31.113 31.700 -0.843 0.000 0.788 121 K N 0.703 120.959 120.400 -0.240 0.000 2.113 121 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 121 K C 2.111 178.582 176.600 -0.215 0.000 1.047 121 K CA 1.848 58.011 56.287 -0.207 0.000 0.928 121 K CB -1.283 31.142 32.500 -0.124 0.000 0.716 121 K HN 0.038 nan 8.250 nan 0.000 0.446 122 A N -0.066 122.659 122.820 -0.158 0.000 1.858 122 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 122 A C 2.322 179.844 177.584 -0.103 0.000 1.190 122 A CA 1.888 53.867 52.037 -0.097 0.000 0.617 122 A CB -0.832 18.147 19.000 -0.035 0.000 0.827 122 A HN 0.118 nan 8.150 nan 0.000 0.443 123 V N 0.872 120.719 119.914 -0.112 0.000 2.332 123 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 123 V C 2.397 178.349 176.094 -0.237 0.000 1.055 123 V CA 2.436 64.731 62.300 -0.009 0.000 1.038 123 V CB -0.923 30.969 31.823 0.116 0.000 0.651 123 V HN 0.709 nan 8.190 nan 0.000 0.450 124 D N 0.531 120.516 120.400 -0.691 0.000 2.087 124 D HA -0.189 4.451 4.640 -0.000 0.000 0.192 124 D C 1.997 178.019 176.300 -0.463 0.000 0.993 124 D CA 1.861 55.238 54.000 -1.038 0.000 0.828 124 D CB -0.269 39.887 40.800 -1.073 0.000 0.968 124 D HN 0.401 nan 8.370 nan 0.000 0.448 125 I N 0.046 120.430 120.570 -0.309 0.000 2.208 125 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 125 I C 2.569 178.575 176.117 -0.185 0.000 1.097 125 I CA 0.622 61.798 61.300 -0.206 0.000 1.363 125 I CB -0.252 37.659 38.000 -0.147 0.000 1.051 125 I HN 0.137 nan 8.210 nan 0.000 0.413 126 L N 0.434 121.583 121.223 -0.123 0.000 2.012 126 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 126 L C 2.894 179.691 176.870 -0.122 0.000 1.073 126 L CA 1.954 56.764 54.840 -0.049 0.000 0.748 126 L CB -0.692 41.450 42.059 0.138 0.000 0.891 126 L HN 0.385 nan 8.230 nan 0.000 0.431 127 S N -0.900 114.625 115.700 -0.293 0.000 2.356 127 S HA -0.263 4.207 4.470 -0.000 0.000 0.223 127 S C 1.726 176.114 174.600 -0.353 0.000 1.032 127 S CA 1.424 59.185 58.200 -0.730 0.000 1.005 127 S CB -0.582 61.922 63.200 -1.159 0.000 0.867 127 S HN 0.401 nan 8.310 nan 0.000 0.449 128 D N 1.661 121.897 120.400 -0.274 0.000 2.116 128 D HA -0.082 4.558 4.640 -0.000 0.000 0.193 128 D C 1.760 177.955 176.300 -0.176 0.000 0.998 128 D CA 1.549 55.435 54.000 -0.190 0.000 0.836 128 D CB -0.443 40.254 40.800 -0.172 0.000 0.951 128 D HN 0.542 nan 8.370 nan 0.000 0.449 129 I N -0.288 120.148 120.570 -0.224 0.000 2.252 129 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 129 I C 2.291 178.227 176.117 -0.301 0.000 1.102 129 I CA 0.411 61.550 61.300 -0.268 0.000 1.385 129 I CB -0.122 37.660 38.000 -0.364 0.000 1.064 129 I HN 0.121 nan 8.210 nan 0.000 0.414 130 L N 0.491 121.504 121.223 -0.349 0.000 2.109 130 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 130 L C 2.401 179.285 176.870 0.024 0.000 1.086 130 L CA 2.265 56.916 54.840 -0.314 0.000 0.760 130 L CB -0.455 41.400 42.059 -0.340 0.000 0.910 130 L HN 0.371 nan 8.230 nan 0.000 0.437 131 T N -5.562 109.000 114.554 0.013 0.000 2.971 131 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 131 T C 1.143 175.882 174.700 0.065 0.000 1.022 131 T CA -0.124 62.049 62.100 0.122 0.000 0.980 131 T CB -0.029 68.962 68.868 0.206 0.000 1.044 131 T HN 0.195 nan 8.240 nan 0.000 0.501 132 K N 2.793 123.189 120.400 -0.008 0.000 2.896 132 K HA 0.297 4.617 4.320 -0.000 0.000 0.210 132 K C -0.300 176.277 176.600 -0.038 0.000 1.116 132 K CA -0.285 55.985 56.287 -0.028 0.000 1.050 132 K CB 0.891 33.353 32.500 -0.064 0.000 0.812 132 K HN 0.413 nan 8.250 nan 0.000 0.462 133 S N -0.443 115.240 115.700 -0.029 0.000 2.528 133 S HA 0.087 4.557 4.470 -0.000 0.000 0.277 133 S C 1.580 176.172 174.600 -0.013 0.000 1.297 133 S CA -0.833 57.350 58.200 -0.027 0.000 1.052 133 S CB 1.696 64.886 63.200 -0.016 0.000 0.917 133 S HN -0.049 nan 8.310 nan 0.000 0.492 134 V N 3.332 123.239 119.914 -0.011 0.000 2.282 134 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 134 V C 1.389 177.482 176.094 -0.003 0.000 1.057 134 V CA 1.630 63.926 62.300 -0.007 0.000 1.032 134 V CB -1.358 30.464 31.823 -0.002 0.000 0.645 134 V HN 0.961 nan 8.190 nan 0.000 0.447 135 L N 0.412 121.640 121.223 0.008 0.000 3.548 135 L HA -0.201 4.139 4.340 -0.000 0.000 0.443 135 L C 0.158 177.028 176.870 0.001 0.000 1.286 135 L CA 0.070 54.914 54.840 0.007 0.000 0.863 135 L CB -1.735 40.316 42.059 -0.013 0.000 1.734 135 L HN 0.479 nan 8.230 nan 0.000 0.873 136 D N 0.150 120.557 120.400 0.012 0.000 2.455 136 D HA 0.031 4.670 4.640 -0.000 0.000 0.241 136 D C 1.310 177.615 176.300 0.008 0.000 1.138 136 D CA 0.518 54.524 54.000 0.009 0.000 0.877 136 D CB 0.570 41.380 40.800 0.016 0.000 1.187 136 D HN 0.282 nan 8.370 nan 0.000 0.451 137 N N 1.540 120.239 118.700 -0.002 0.000 2.205 137 N HA -0.218 4.522 4.740 -0.000 0.000 0.186 137 N C 1.576 177.091 175.510 0.009 0.000 1.015 137 N CA 0.776 53.822 53.050 -0.006 0.000 0.862 137 N CB 0.035 38.515 38.487 -0.011 0.000 0.986 137 N HN 0.365 nan 8.380 nan 0.000 0.429 138 S N 0.844 116.553 115.700 0.016 0.000 2.356 138 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 138 S C 2.084 176.708 174.600 0.041 0.000 1.032 138 S CA 1.182 59.397 58.200 0.024 0.000 1.005 138 S CB -0.292 62.921 63.200 0.021 0.000 0.867 138 S HN 0.370 nan 8.310 nan 0.000 0.449 139 A N 1.817 124.666 122.820 0.048 0.000 1.883 139 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 139 A C 2.179 179.831 177.584 0.114 0.000 1.186 139 A CA 1.728 53.810 52.037 0.075 0.000 0.624 139 A CB -1.019 18.026 19.000 0.075 0.000 0.822 139 A HN 0.655 nan 8.150 nan 0.000 0.444 140 I N -0.350 120.277 120.570 0.094 0.000 2.399 140 I HA -0.245 3.925 4.170 -0.000 0.000 0.254 140 I C 2.291 178.498 176.117 0.151 0.000 1.146 140 I CA 1.290 62.655 61.300 0.108 0.000 1.412 140 I CB -0.334 37.638 38.000 -0.046 0.000 1.076 140 I HN 0.349 nan 8.210 nan 0.000 0.432 141 E N 0.623 120.880 120.200 0.096 0.000 2.102 141 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 141 E C 2.242 178.901 176.600 0.098 0.000 0.971 141 E CA 0.676 57.130 56.400 0.090 0.000 0.821 141 E CB -0.196 29.533 29.700 0.048 0.000 0.777 141 E HN 0.448 nan 8.360 nan 0.000 0.460 142 R N 0.800 121.349 120.500 0.082 0.000 2.152 142 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 142 R C 2.085 178.422 176.300 0.062 0.000 1.117 142 R CA 1.049 57.186 56.100 0.062 0.000 0.981 142 R CB -0.021 30.309 30.300 0.051 0.000 0.870 142 R HN 0.016 nan 8.270 nan 0.000 0.451 143 E N 0.754 121.012 120.200 0.098 0.000 2.208 143 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 143 E C 1.663 178.216 176.600 -0.079 0.000 0.988 143 E CA 0.970 57.387 56.400 0.029 0.000 0.828 143 E CB 0.126 29.883 29.700 0.094 0.000 0.763 143 E HN 0.201 nan 8.360 nan 0.000 0.478 144 R N 0.550 121.105 120.500 0.091 0.000 2.117 144 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 144 R C 1.995 178.280 176.300 -0.024 0.000 1.143 144 R CA 1.549 57.693 56.100 0.072 0.000 0.968 144 R CB -0.472 29.929 30.300 0.168 0.000 0.863 144 R HN 0.270 nan 8.270 nan 0.000 0.444 145 D N 0.614 121.011 120.400 -0.006 0.000 2.123 145 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 145 D C 1.899 178.179 176.300 -0.033 0.000 0.976 145 D CA 0.884 54.878 54.000 -0.011 0.000 0.831 145 D CB 0.277 41.080 40.800 0.005 0.000 0.974 145 D HN 0.018 nan 8.370 nan 0.000 0.469 146 V N 1.798 121.683 119.914 -0.047 0.000 2.332 146 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 146 V C 2.609 178.661 176.094 -0.070 0.000 1.055 146 V CA 0.976 63.253 62.300 -0.037 0.000 1.038 146 V CB -0.377 31.444 31.823 -0.005 0.000 0.651 146 V HN 0.277 nan 8.190 nan 0.000 0.450 147 I N -0.204 120.248 120.570 -0.197 0.000 2.286 147 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 147 I C 2.443 178.506 176.117 -0.090 0.000 1.115 147 I CA 1.528 62.694 61.300 -0.223 0.000 1.392 147 I CB -1.081 36.661 38.000 -0.431 0.000 1.065 147 I HN 0.237 nan 8.210 nan 0.000 0.418 148 I N 0.756 121.286 120.570 -0.068 0.000 2.179 148 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 148 I C 2.715 178.821 176.117 -0.018 0.000 1.088 148 I CA 1.301 62.583 61.300 -0.029 0.000 1.357 148 I CB -1.283 36.709 38.000 -0.013 0.000 1.051 148 I HN 0.198 nan 8.210 nan 0.000 0.409 149 R N 0.921 121.411 120.500 -0.016 0.000 2.083 149 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 149 R C 2.312 178.608 176.300 -0.006 0.000 1.137 149 R CA 1.715 57.810 56.100 -0.008 0.000 0.951 149 R CB -0.352 29.945 30.300 -0.005 0.000 0.851 149 R HN 0.398 nan 8.270 nan 0.000 0.434 150 E N -0.789 119.411 120.200 0.001 0.000 2.085 150 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 150 E C 1.799 178.391 176.600 -0.013 0.000 0.994 150 E CA 1.503 57.910 56.400 0.012 0.000 0.801 150 E CB -0.130 29.608 29.700 0.063 0.000 0.743 150 E HN 0.271 nan 8.360 nan 0.000 0.453 151 S N 0.061 115.749 115.700 -0.020 0.000 2.368 151 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 151 S C 1.689 176.280 174.600 -0.015 0.000 1.030 151 S CA 1.493 59.679 58.200 -0.024 0.000 0.999 151 S CB -0.180 63.008 63.200 -0.019 0.000 0.844 151 S HN 0.301 nan 8.310 nan 0.000 0.459 152 E N 0.140 120.333 120.200 -0.011 0.000 2.204 152 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 152 E C 2.086 178.675 176.600 -0.019 0.000 0.989 152 E CA 0.974 57.370 56.400 -0.007 0.000 0.824 152 E CB 0.014 29.712 29.700 -0.004 0.000 0.756 152 E HN 0.458 nan 8.360 nan 0.000 0.477 153 E N 0.150 120.334 120.200 -0.026 0.000 2.152 153 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 153 E C 2.201 178.765 176.600 -0.059 0.000 0.983 153 E CA 0.536 56.911 56.400 -0.041 0.000 0.818 153 E CB -0.069 29.611 29.700 -0.034 0.000 0.758 153 E HN 0.132 nan 8.360 nan 0.000 0.467 154 V N 2.111 121.996 119.914 -0.048 0.000 2.548 154 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 154 V C 1.559 177.621 176.094 -0.053 0.000 1.055 154 V CA 1.498 63.765 62.300 -0.054 0.000 1.065 154 V CB -0.391 31.406 31.823 -0.043 0.000 0.681 154 V HN 0.117 nan 8.190 nan 0.000 0.462 155 D N 0.353 120.736 120.400 -0.028 0.000 2.351 155 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 155 D C 1.909 178.184 176.300 -0.041 0.000 0.968 155 D CA 0.983 54.984 54.000 0.002 0.000 0.899 155 D CB -0.037 40.779 40.800 0.026 0.000 0.907 155 D HN 0.478 nan 8.370 nan 0.000 0.514 156 K N -0.472 119.843 120.400 -0.142 0.000 2.374 156 K HA 0.207 4.527 4.320 -0.000 0.000 0.196 156 K C 0.587 176.832 176.600 -0.593 0.000 1.023 156 K CA 0.031 56.129 56.287 -0.314 0.000 1.103 156 K CB 0.541 32.927 32.500 -0.190 0.000 0.848 156 K HN 0.049 nan 8.250 nan 0.000 0.528 157 M N 1.523 120.892 119.600 -0.385 0.000 2.385 157 M HA 0.185 4.665 4.480 -0.000 0.000 0.346 157 M C -0.372 175.773 176.300 -0.258 0.000 1.180 157 M CA -0.506 54.595 55.300 -0.331 0.000 1.154 157 M CB 0.453 32.959 32.600 -0.156 0.000 1.251 157 M HN -0.012 nan 8.290 nan 0.000 0.430 158 Y N 0.911 121.105 120.300 -0.176 0.000 2.241 158 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 158 Y C 2.235 177.996 175.900 -0.231 0.000 1.166 158 Y CA 1.627 59.533 58.100 -0.323 0.000 1.203 158 Y CB -0.889 37.071 38.460 -0.834 0.000 0.977 158 Y HN 0.641 nan 8.280 nan 0.000 0.529 159 D N -0.010 120.390 120.400 -0.001 0.000 2.117 159 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 159 D C 1.554 177.820 176.300 -0.057 0.000 0.987 159 D CA 1.412 55.331 54.000 -0.135 0.000 0.829 159 D CB -0.526 40.171 40.800 -0.172 0.000 0.961 159 D HN 0.309 nan 8.370 nan 0.000 0.460 160 E N 0.714 120.921 120.200 0.012 0.000 2.058 160 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 160 E C 2.608 179.253 176.600 0.075 0.000 0.997 160 E CA 0.677 57.114 56.400 0.061 0.000 0.801 160 E CB -0.418 29.283 29.700 0.002 0.000 0.746 160 E HN 0.264 nan 8.360 nan 0.000 0.450 161 V N 1.385 121.324 119.914 0.043 0.000 2.287 161 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 161 V C 2.654 178.791 176.094 0.072 0.000 1.053 161 V CA 1.540 63.890 62.300 0.083 0.000 1.027 161 V CB -0.697 31.160 31.823 0.057 0.000 0.646 161 V HN 0.055 nan 8.190 nan 0.000 0.447 162 V N -0.757 119.116 119.914 -0.069 0.000 2.287 162 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 162 V C 2.215 178.224 176.094 -0.143 0.000 1.053 162 V CA 2.213 64.410 62.300 -0.171 0.000 1.027 162 V CB -0.748 30.903 31.823 -0.287 0.000 0.646 162 V HN 0.450 nan 8.190 nan 0.000 0.447 163 F N 0.137 120.096 119.950 0.014 0.000 2.259 163 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 163 F C 2.275 178.190 175.800 0.192 0.000 1.088 163 F CA 1.147 59.177 58.000 0.050 0.000 1.358 163 F CB -0.606 38.352 39.000 -0.069 0.000 1.040 163 F HN 0.201 nan 8.300 nan 0.000 0.505 164 D N -0.972 119.596 120.400 0.281 0.000 2.117 164 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 164 D C 2.056 178.472 176.300 0.193 0.000 0.982 164 D CA 1.401 55.517 54.000 0.194 0.000 0.828 164 D CB -0.345 40.525 40.800 0.116 0.000 0.967 164 D HN 0.299 nan 8.370 nan 0.000 0.464 165 H N -0.049 119.071 119.070 0.084 0.000 2.389 165 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 165 H C 1.865 177.220 175.328 0.045 0.000 1.081 165 H CA 0.612 56.688 56.048 0.046 0.000 1.345 165 H CB -0.202 29.562 29.762 0.004 0.000 1.393 165 H HN 0.031 nan 8.280 nan 0.000 0.520 166 L N -0.094 121.241 121.223 0.187 0.000 2.046 166 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 166 L C 1.772 178.658 176.870 0.027 0.000 1.077 166 L CA 1.832 56.722 54.840 0.083 0.000 0.747 166 L CB -0.495 41.633 42.059 0.116 0.000 0.896 166 L HN 0.258 nan 8.230 nan 0.000 0.432 167 H N -0.776 118.359 119.070 0.107 0.000 2.389 167 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 167 H C 2.208 177.591 175.328 0.091 0.000 1.081 167 H CA 1.747 57.887 56.048 0.153 0.000 1.345 167 H CB 0.104 29.991 29.762 0.208 0.000 1.393 167 H HN 0.487 nan 8.280 nan 0.000 0.520 168 E N 0.431 120.717 120.200 0.142 0.000 2.051 168 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 168 E C 2.035 178.634 176.600 -0.002 0.000 0.991 168 E CA 1.612 58.040 56.400 0.046 0.000 0.799 168 E CB -0.032 29.641 29.700 -0.046 0.000 0.748 168 E HN 0.674 nan 8.360 nan 0.000 0.449 169 I N -2.248 118.296 120.570 -0.043 0.000 2.716 169 I HA -0.032 4.138 4.170 -0.000 0.000 0.259 169 I C 1.949 177.946 176.117 -0.199 0.000 1.172 169 I CA 0.931 62.176 61.300 -0.092 0.000 1.478 169 I CB -0.230 37.719 38.000 -0.085 0.000 1.104 169 I HN -0.098 nan 8.210 nan 0.000 0.439 170 T N 0.405 114.759 114.554 -0.332 0.000 2.857 170 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 170 T C 0.428 174.758 174.700 -0.618 0.000 1.048 170 T CA 1.383 63.069 62.100 -0.690 0.000 1.139 170 T CB -0.296 67.976 68.868 -0.994 0.000 0.874 170 T HN 0.343 nan 8.240 nan 0.000 0.455 171 Y N 1.656 121.864 120.300 -0.154 0.000 2.813 171 Y HA 0.505 5.055 4.550 -0.000 0.000 0.378 171 Y C 0.307 176.176 175.900 -0.051 0.000 1.023 171 Y CA -1.751 56.301 58.100 -0.081 0.000 1.567 171 Y CB -0.260 38.177 38.460 -0.038 0.000 1.492 171 Y HN -0.138 nan 8.280 nan 0.000 0.533 172 K N 1.986 122.405 120.400 0.032 0.000 2.504 172 K HA -0.091 4.229 4.320 -0.000 0.000 0.278 172 K C 0.291 176.918 176.600 0.044 0.000 1.025 172 K CA 0.855 57.155 56.287 0.022 0.000 1.093 172 K CB -0.139 32.356 32.500 -0.008 0.000 0.873 172 K HN 0.448 nan 8.250 nan 0.000 0.483 173 D N 2.709 123.131 120.400 0.036 0.000 2.751 173 D HA -0.230 4.410 4.640 -0.000 0.000 0.233 173 D C -0.620 175.703 176.300 0.038 0.000 1.149 173 D CA 1.052 55.071 54.000 0.032 0.000 0.682 173 D CB -0.718 40.097 40.800 0.025 0.000 1.068 173 D HN 0.659 nan 8.370 nan 0.000 0.429 174 Q N -1.543 118.287 119.800 0.051 0.000 2.458 174 Q HA 0.360 4.700 4.340 -0.000 0.000 0.282 174 Q C -1.867 174.135 176.000 0.004 0.000 1.106 174 Q CA -1.837 53.986 55.803 0.033 0.000 0.814 174 Q CB 1.914 30.685 28.738 0.055 0.000 1.425 174 Q HN -0.201 nan 8.270 nan 0.000 0.437 175 P HA -0.184 nan 4.420 nan 0.000 0.215 175 P C 1.042 178.288 177.300 -0.090 0.000 1.157 175 P CA 0.974 64.049 63.100 -0.042 0.000 0.868 175 P CB 0.229 31.903 31.700 -0.043 0.000 0.788 176 L N -0.764 120.334 121.223 -0.208 0.000 2.353 176 L HA -0.011 4.329 4.340 -0.000 0.000 0.220 176 L C 2.149 178.969 176.870 -0.083 0.000 1.133 176 L CA 1.685 56.308 54.840 -0.361 0.000 0.798 176 L CB -1.742 39.764 42.059 -0.921 0.000 0.922 176 L HN -0.001 nan 8.230 nan 0.000 0.445 177 G N -1.352 107.475 108.800 0.046 0.000 2.813 177 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.209 177 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.209 177 G C 0.919 175.875 174.900 0.093 0.000 1.150 177 G CA -0.245 44.959 45.100 0.174 0.000 0.785 177 G HN 0.261 nan 8.290 nan 0.000 0.535 178 R N 0.470 120.989 120.500 0.031 0.000 2.500 178 R HA 0.461 4.801 4.340 -0.000 0.000 0.277 178 R C 0.644 176.936 176.300 -0.014 0.000 1.026 178 R CA -0.255 55.850 56.100 0.008 0.000 1.058 178 R CB 0.880 31.184 30.300 0.007 0.000 1.078 178 R HN 0.188 nan 8.270 nan 0.000 0.509 179 T N -1.753 112.788 114.554 -0.023 0.000 2.754 179 T HA 0.224 4.574 4.350 -0.000 0.000 0.286 179 T C 1.426 176.101 174.700 -0.041 0.000 0.997 179 T CA -0.546 61.528 62.100 -0.044 0.000 0.982 179 T CB 0.568 69.410 68.868 -0.043 0.000 1.027 179 T HN 0.480 nan 8.240 nan 0.000 0.529 180 I N -0.023 120.509 120.570 -0.064 0.000 2.585 180 I HA 0.019 4.189 4.170 -0.000 0.000 0.254 180 I C 2.094 178.158 176.117 -0.088 0.000 1.129 180 I CA 0.418 61.682 61.300 -0.059 0.000 1.455 180 I CB -0.252 37.702 38.000 -0.078 0.000 1.111 180 I HN 0.437 nan 8.210 nan 0.000 0.433 181 L N 0.706 121.837 121.223 -0.152 0.000 2.109 181 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 181 L C 1.174 178.036 176.870 -0.013 0.000 1.086 181 L CA 1.293 56.045 54.840 -0.146 0.000 0.760 181 L CB -1.168 40.792 42.059 -0.165 0.000 0.910 181 L HN 0.394 nan 8.230 nan 0.000 0.437 182 G N -1.579 107.213 108.800 -0.014 0.000 2.756 182 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.678 182 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.678 182 G C -2.640 172.266 174.900 0.009 0.000 1.349 182 G CA -0.728 44.379 45.100 0.012 0.000 0.847 182 G HN 0.079 nan 8.290 nan 0.000 0.548 183 P HA 0.362 nan 4.420 nan 0.000 0.272 183 P C 1.479 178.793 177.300 0.023 0.000 1.223 183 P CA -0.764 62.344 63.100 0.013 0.000 0.784 183 P CB 0.474 32.181 31.700 0.012 0.000 0.923 184 I N 1.246 121.828 120.570 0.020 0.000 2.208 184 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 184 I C 2.176 178.313 176.117 0.034 0.000 1.097 184 I CA 1.771 63.086 61.300 0.025 0.000 1.363 184 I CB -1.065 36.947 38.000 0.021 0.000 1.051 184 I HN 0.595 nan 8.210 nan 0.000 0.413 185 K N 1.221 121.638 120.400 0.028 0.000 2.052 185 K HA -0.281 4.039 4.320 -0.000 0.000 0.215 185 K C 1.838 178.459 176.600 0.036 0.000 1.053 185 K CA 2.500 58.803 56.287 0.028 0.000 0.934 185 K CB -0.092 32.421 32.500 0.022 0.000 0.717 185 K HN 0.252 nan 8.250 nan 0.000 0.450 186 N N 0.575 119.300 118.700 0.041 0.000 2.188 186 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 186 N C 1.716 177.280 175.510 0.089 0.000 1.018 186 N CA 1.236 54.317 53.050 0.052 0.000 0.858 186 N CB -0.114 38.404 38.487 0.051 0.000 0.989 186 N HN 0.255 nan 8.380 nan 0.000 0.426 187 I N 0.525 121.159 120.570 0.107 0.000 2.530 187 I HA -0.260 3.909 4.170 -0.000 0.000 0.257 187 I C 1.563 177.792 176.117 0.186 0.000 1.179 187 I CA 1.214 62.619 61.300 0.175 0.000 1.440 187 I CB -0.102 37.948 38.000 0.084 0.000 1.087 187 I HN 0.165 nan 8.210 nan 0.000 0.440 188 K N 0.030 120.491 120.400 0.102 0.000 2.323 188 K HA 0.036 4.356 4.320 -0.000 0.000 0.197 188 K C 1.927 178.556 176.600 0.048 0.000 1.043 188 K CA 1.058 57.391 56.287 0.077 0.000 0.997 188 K CB 0.214 32.744 32.500 0.049 0.000 0.807 188 K HN 0.299 nan 8.250 nan 0.000 0.497 189 S N 0.107 115.828 115.700 0.035 0.000 2.524 189 S HA 0.172 4.642 4.470 -0.000 0.000 0.215 189 S C 0.734 175.315 174.600 -0.032 0.000 0.986 189 S CA -0.472 57.730 58.200 0.003 0.000 0.911 189 S CB 0.072 63.275 63.200 0.006 0.000 0.805 189 S HN -0.053 nan 8.310 nan 0.000 0.501 190 I N 4.629 125.168 120.570 -0.052 0.000 2.752 190 I HA 0.115 4.285 4.170 -0.000 0.000 0.289 190 I C 0.992 176.983 176.117 -0.210 0.000 1.197 190 I CA 0.733 61.944 61.300 -0.149 0.000 1.432 190 I CB -0.251 37.590 38.000 -0.265 0.000 1.359 190 I HN 0.414 nan 8.210 nan 0.000 0.571 191 T N 3.314 117.767 114.554 -0.169 0.000 2.932 191 T HA 0.392 4.742 4.350 -0.000 0.000 0.289 191 T C 1.032 175.635 174.700 -0.162 0.000 1.039 191 T CA -0.898 61.113 62.100 -0.149 0.000 1.024 191 T CB 1.984 70.801 68.868 -0.085 0.000 1.090 191 T HN 0.646 nan 8.240 nan 0.000 0.496 192 R N 0.319 120.736 120.500 -0.137 0.000 2.170 192 R HA -0.126 4.214 4.340 -0.000 0.000 0.242 192 R C 1.762 178.012 176.300 -0.084 0.000 1.145 192 R CA 2.079 58.111 56.100 -0.115 0.000 0.984 192 R CB -0.943 29.310 30.300 -0.079 0.000 0.869 192 R HN 0.825 nan 8.270 nan 0.000 0.455 193 T N 0.805 115.317 114.554 -0.070 0.000 2.701 193 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 193 T C 1.089 175.762 174.700 -0.045 0.000 1.040 193 T CA 1.351 63.422 62.100 -0.049 0.000 1.147 193 T CB -0.305 68.540 68.868 -0.038 0.000 0.865 193 T HN 0.333 nan 8.240 nan 0.000 0.426 194 D N 1.522 121.889 120.400 -0.054 0.000 2.116 194 D HA -0.090 4.550 4.640 -0.000 0.000 0.193 194 D C 2.206 178.494 176.300 -0.020 0.000 0.998 194 D CA 0.954 54.934 54.000 -0.034 0.000 0.836 194 D CB -0.440 40.325 40.800 -0.057 0.000 0.951 194 D HN 0.319 nan 8.370 nan 0.000 0.449 195 L N 0.664 121.843 121.223 -0.073 0.000 1.970 195 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 195 L C 2.503 179.355 176.870 -0.029 0.000 1.071 195 L CA 1.352 56.153 54.840 -0.066 0.000 0.751 195 L CB -0.510 41.481 42.059 -0.113 0.000 0.889 195 L HN -0.022 nan 8.230 nan 0.000 0.432 196 K N -0.323 120.050 120.400 -0.046 0.000 2.209 196 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 196 K C 1.692 178.262 176.600 -0.050 0.000 1.048 196 K CA 1.060 57.316 56.287 -0.053 0.000 0.940 196 K CB -0.130 32.343 32.500 -0.045 0.000 0.729 196 K HN 0.362 nan 8.250 nan 0.000 0.451 197 D N -0.062 120.324 120.400 -0.023 0.000 2.123 197 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 197 D C 1.753 178.038 176.300 -0.024 0.000 0.976 197 D CA 0.982 54.969 54.000 -0.021 0.000 0.831 197 D CB -0.052 40.747 40.800 -0.003 0.000 0.974 197 D HN 0.167 nan 8.370 nan 0.000 0.469 198 Y N 1.798 122.032 120.300 -0.110 0.000 2.145 198 Y HA -0.175 4.375 4.550 -0.000 0.000 0.286 198 Y C 2.295 178.050 175.900 -0.243 0.000 1.145 198 Y CA 1.294 59.325 58.100 -0.114 0.000 1.148 198 Y CB -0.362 38.051 38.460 -0.077 0.000 0.981 198 Y HN -0.114 nan 8.280 nan 0.000 0.507 199 I N -0.739 119.731 120.570 -0.167 0.000 2.127 199 I HA -0.398 3.772 4.170 -0.000 0.000 0.241 199 I C 2.289 178.149 176.117 -0.429 0.000 1.075 199 I CA 2.036 62.941 61.300 -0.659 0.000 1.334 199 I CB -0.853 36.858 38.000 -0.480 0.000 1.040 199 I HN 0.230 nan 8.210 nan 0.000 0.405 200 T N 0.518 114.948 114.554 -0.207 0.000 2.684 200 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 200 T C 1.946 176.586 174.700 -0.099 0.000 1.036 200 T CA 1.812 63.845 62.100 -0.110 0.000 1.148 200 T CB -0.221 68.605 68.868 -0.069 0.000 0.863 200 T HN 0.330 nan 8.240 nan 0.000 0.436 201 K N 0.588 120.905 120.400 -0.139 0.000 2.057 201 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 201 K C 1.891 178.410 176.600 -0.135 0.000 1.050 201 K CA 1.315 57.523 56.287 -0.132 0.000 0.935 201 K CB 0.010 32.413 32.500 -0.161 0.000 0.715 201 K HN 0.231 nan 8.250 nan 0.000 0.439 202 N N -0.573 118.002 118.700 -0.208 0.000 2.432 202 N HA -0.051 4.689 4.740 -0.000 0.000 0.174 202 N C -0.187 175.442 175.510 0.198 0.000 1.037 202 N CA 0.374 53.373 53.050 -0.085 0.000 0.892 202 N CB 0.187 38.493 38.487 -0.300 0.000 1.049 202 N HN 0.105 nan 8.380 nan 0.000 0.442 203 Y N 2.653 122.924 120.300 -0.048 0.000 2.530 203 Y HA 0.170 4.720 4.550 -0.000 0.000 0.340 203 Y C 0.371 176.265 175.900 -0.009 0.000 1.247 203 Y CA -0.331 57.769 58.100 0.001 0.000 1.727 203 Y CB -0.671 37.805 38.460 0.026 0.000 1.613 203 Y HN -0.319 nan 8.280 nan 0.000 0.464 204 K N 0.223 120.697 120.400 0.123 0.000 2.259 204 K HA 0.414 4.734 4.320 -0.000 0.000 0.252 204 K C 1.193 177.811 176.600 0.030 0.000 0.936 204 K CA -0.335 55.987 56.287 0.058 0.000 0.810 204 K CB 2.089 34.611 32.500 0.037 0.000 1.143 204 K HN 0.564 nan 8.250 nan 0.000 0.427 205 G N 2.069 110.879 108.800 0.017 0.000 2.469 205 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.219 205 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.219 205 G C 0.798 175.695 174.900 -0.006 0.000 1.150 205 G CA 1.157 46.259 45.100 0.002 0.000 0.763 205 G HN 0.792 nan 8.290 nan 0.000 0.561 206 D N -0.097 120.304 120.400 0.002 0.000 2.378 206 D HA -0.043 4.597 4.640 -0.000 0.000 0.227 206 D C 1.773 178.074 176.300 0.002 0.000 1.012 206 D CA 0.297 54.297 54.000 0.000 0.000 0.905 206 D CB -0.136 40.667 40.800 0.005 0.000 0.895 206 D HN 0.322 nan 8.370 nan 0.000 0.532 207 R N -0.294 120.209 120.500 0.006 0.000 2.577 207 R HA 0.312 4.652 4.340 -0.000 0.000 0.344 207 R C 0.146 176.450 176.300 0.006 0.000 1.037 207 R CA -0.143 55.965 56.100 0.014 0.000 1.102 207 R CB 0.483 30.800 30.300 0.029 0.000 1.313 207 R HN 0.279 nan 8.270 nan 0.000 0.561 208 M N -1.865 117.725 119.600 -0.017 0.000 2.593 208 M HA 0.581 5.061 4.480 -0.000 0.000 0.290 208 M C -1.060 175.210 176.300 -0.051 0.000 1.244 208 M CA -1.269 54.010 55.300 -0.034 0.000 0.857 208 M CB 2.439 34.989 32.600 -0.084 0.000 1.738 208 M HN -0.354 nan 8.290 nan 0.000 0.461 209 V N 2.058 121.953 119.914 -0.032 0.000 2.638 209 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 209 V C -1.291 174.779 176.094 -0.039 0.000 1.052 209 V CA -0.668 61.598 62.300 -0.057 0.000 0.885 209 V CB 2.096 33.855 31.823 -0.106 0.000 0.999 209 V HN 0.780 nan 8.190 nan 0.000 0.424 210 L N 4.548 125.713 121.223 -0.097 0.000 2.276 210 L HA 0.866 5.206 4.340 -0.000 0.000 0.286 210 L C 0.217 177.085 176.870 -0.004 0.000 1.024 210 L CA 0.036 54.826 54.840 -0.084 0.000 0.826 210 L CB 0.867 42.815 42.059 -0.186 0.000 1.211 210 L HN 0.815 nan 8.230 nan 0.000 0.422 211 A N 3.610 126.469 122.820 0.066 0.000 2.330 211 A HA 0.909 5.229 4.320 -0.000 0.000 0.327 211 A C -0.075 177.568 177.584 0.098 0.000 1.155 211 A CA 0.053 52.103 52.037 0.022 0.000 0.803 211 A CB 1.123 20.035 19.000 -0.147 0.000 1.208 211 A HN 0.837 nan 8.150 nan 0.000 0.477 212 G N -0.337 108.513 108.800 0.083 0.000 2.619 212 G HA2 0.856 4.816 3.960 -0.000 0.000 0.296 212 G HA3 0.856 4.816 3.960 -0.000 0.000 0.296 212 G C -0.827 174.126 174.900 0.089 0.000 1.334 212 G CA -0.024 45.140 45.100 0.106 0.000 0.934 212 G HN 1.836 nan 8.290 nan 0.000 0.476 213 A N -0.625 122.246 122.820 0.085 0.000 2.604 213 A HA 1.071 5.391 4.320 -0.000 0.000 0.295 213 A C 0.288 177.900 177.584 0.048 0.000 1.067 213 A CA 0.395 52.468 52.037 0.059 0.000 0.683 213 A CB 1.266 20.284 19.000 0.030 0.000 1.281 213 A HN 2.717 nan 8.150 nan 0.000 0.407 214 G N -0.255 108.549 108.800 0.006 0.000 2.408 214 G HA2 0.449 4.409 3.960 -0.000 0.000 0.204 214 G HA3 0.449 4.409 3.960 -0.000 0.000 0.204 214 G C 0.462 175.350 174.900 -0.020 0.000 1.186 214 G CA 0.161 45.241 45.100 -0.033 0.000 1.139 214 G HN 2.339 nan 8.290 nan 0.000 0.563 215 A N 0.066 122.907 122.820 0.034 0.000 2.981 215 A HA 0.590 4.910 4.320 -0.000 0.000 0.280 215 A C 0.105 177.810 177.584 0.202 0.000 1.743 215 A CA 0.589 52.711 52.037 0.143 0.000 1.430 215 A CB -0.646 18.419 19.000 0.109 0.000 1.085 215 A HN 1.708 nan 8.150 nan 0.000 0.597 216 V N 2.153 122.240 119.914 0.288 0.000 2.531 216 V HA 0.261 4.381 4.120 -0.000 0.000 0.301 216 V C -0.594 175.637 176.094 0.229 0.000 1.034 216 V CA -0.925 61.512 62.300 0.228 0.000 0.865 216 V CB 2.030 33.966 31.823 0.189 0.000 0.995 216 V HN 0.722 nan 8.190 nan 0.000 0.424 217 D N 2.256 122.753 120.400 0.160 0.000 2.313 217 D HA 0.158 4.797 4.640 -0.000 0.000 0.239 217 D C 0.891 177.277 176.300 0.142 0.000 1.142 217 D CA -0.052 54.015 54.000 0.113 0.000 0.847 217 D CB 1.226 42.076 40.800 0.084 0.000 1.082 217 D HN 0.703 nan 8.370 nan 0.000 0.480 218 H N 3.585 122.684 119.070 0.049 0.000 2.319 218 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 218 H C 1.248 176.602 175.328 0.043 0.000 1.092 218 H CA 2.309 58.386 56.048 0.048 0.000 1.302 218 H CB 0.500 30.278 29.762 0.027 0.000 1.373 218 H HN 0.420 nan 8.280 nan 0.000 0.497 219 E N 0.495 120.703 120.200 0.013 0.000 2.023 219 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 219 E C 2.248 178.799 176.600 -0.082 0.000 1.003 219 E CA 1.534 57.896 56.400 -0.063 0.000 0.809 219 E CB -0.060 29.637 29.700 -0.006 0.000 0.755 219 E HN 0.470 nan 8.360 nan 0.000 0.449 220 K N -0.149 120.243 120.400 -0.014 0.000 2.063 220 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 220 K C 2.166 178.823 176.600 0.095 0.000 1.048 220 K CA 1.257 57.546 56.287 0.004 0.000 0.928 220 K CB -0.345 32.242 32.500 0.144 0.000 0.713 220 K HN 0.083 nan 8.250 nan 0.000 0.442 221 L N 1.009 122.320 121.223 0.147 0.000 2.131 221 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 221 L C 1.963 178.880 176.870 0.078 0.000 1.092 221 L CA 1.295 56.254 54.840 0.197 0.000 0.759 221 L CB -0.097 42.029 42.059 0.112 0.000 0.903 221 L HN -0.079 nan 8.230 nan 0.000 0.435 222 V N -0.592 119.263 119.914 -0.100 0.000 2.358 222 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 222 V C 2.479 178.542 176.094 -0.051 0.000 1.047 222 V CA 1.979 64.207 62.300 -0.120 0.000 1.035 222 V CB -0.646 31.045 31.823 -0.220 0.000 0.658 222 V HN 0.550 nan 8.190 nan 0.000 0.452 223 Q N -1.000 118.734 119.800 -0.109 0.000 2.030 223 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 223 Q C 2.223 178.144 176.000 -0.132 0.000 0.986 223 Q CA 2.295 57.991 55.803 -0.178 0.000 0.843 223 Q CB -0.375 28.161 28.738 -0.338 0.000 0.904 223 Q HN 0.679 nan 8.270 nan 0.000 0.420 224 Y N 0.364 120.698 120.300 0.057 0.000 2.274 224 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 224 Y C 2.360 178.399 175.900 0.233 0.000 1.145 224 Y CA 0.894 59.085 58.100 0.151 0.000 1.203 224 Y CB -0.690 37.916 38.460 0.243 0.000 0.984 224 Y HN 0.166 nan 8.280 nan 0.000 0.533 225 A N -0.185 122.827 122.820 0.321 0.000 1.858 225 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 225 A C 2.179 179.926 177.584 0.272 0.000 1.190 225 A CA 1.946 54.171 52.037 0.313 0.000 0.617 225 A CB -0.836 18.242 19.000 0.130 0.000 0.827 225 A HN 0.394 nan 8.150 nan 0.000 0.443 226 Q N 0.274 120.150 119.800 0.126 0.000 2.061 226 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 226 Q C 2.025 178.058 176.000 0.056 0.000 0.984 226 Q CA 2.606 58.452 55.803 0.072 0.000 0.846 226 Q CB -0.365 28.374 28.738 0.002 0.000 0.902 226 Q HN 0.673 nan 8.270 nan 0.000 0.421 227 K N -1.336 119.052 120.400 -0.020 0.000 1.991 227 K HA -0.193 4.126 4.320 -0.000 0.000 0.212 227 K C 1.556 178.040 176.600 -0.194 0.000 1.049 227 K CA 1.770 57.943 56.287 -0.191 0.000 0.932 227 K CB -0.272 31.985 32.500 -0.404 0.000 0.717 227 K HN 0.319 nan 8.250 nan 0.000 0.441 228 Y N -1.680 118.709 120.300 0.148 0.000 2.500 228 Y HA 0.127 4.677 4.550 -0.000 0.000 0.270 228 Y C 0.932 176.807 175.900 -0.043 0.000 1.134 228 Y CA 0.202 58.326 58.100 0.039 0.000 1.293 228 Y CB 0.456 38.910 38.460 -0.010 0.000 1.063 228 Y HN 0.035 nan 8.280 nan 0.000 0.534 229 F N -2.136 117.963 119.950 0.248 0.000 2.746 229 F HA 0.324 4.851 4.527 -0.000 0.000 0.320 229 F C 2.117 177.909 175.800 -0.013 0.000 1.097 229 F CA -0.030 58.029 58.000 0.098 0.000 1.195 229 F CB 0.047 39.079 39.000 0.052 0.000 1.056 229 F HN -0.067 nan 8.300 nan 0.000 0.562 230 G N 0.483 109.409 108.800 0.210 0.000 2.450 230 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 230 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 230 G C 1.544 176.490 174.900 0.076 0.000 1.130 230 G CA 1.276 46.444 45.100 0.115 0.000 0.760 230 G HN 0.549 nan 8.290 nan 0.000 0.557 231 H N -0.142 118.953 119.070 0.042 0.000 2.567 231 H HA 0.114 4.670 4.556 -0.000 0.000 0.276 231 H C 0.216 175.573 175.328 0.048 0.000 1.016 231 H CA 0.261 56.325 56.048 0.027 0.000 1.186 231 H CB -0.892 28.871 29.762 0.003 0.000 1.351 231 H HN 0.105 nan 8.280 nan 0.000 0.605 232 V N 4.026 123.719 119.914 -0.369 0.000 2.508 232 V HA 0.115 4.235 4.120 -0.000 0.000 0.281 232 V C -1.848 174.212 176.094 -0.056 0.000 1.041 232 V CA -1.400 60.761 62.300 -0.231 0.000 1.016 232 V CB 1.090 32.831 31.823 -0.136 0.000 0.984 232 V HN 0.246 nan 8.190 nan 0.000 0.478 233 P HA 0.059 nan 4.420 nan 0.000 0.265 233 P C -0.320 176.987 177.300 0.012 0.000 1.187 233 P CA 0.056 63.162 63.100 0.009 0.000 0.766 233 P CB 0.487 32.199 31.700 0.019 0.000 0.820 234 K N 1.888 122.295 120.400 0.011 0.000 2.090 234 K HA 0.355 4.675 4.320 -0.000 0.000 0.250 234 K C 0.119 176.726 176.600 0.011 0.000 1.004 234 K CA -0.477 55.816 56.287 0.010 0.000 0.919 234 K CB 0.495 33.000 32.500 0.008 0.000 1.045 234 K HN 0.336 nan 8.250 nan 0.000 0.471 235 S N 1.006 116.712 115.700 0.010 0.000 2.645 235 S HA 0.059 4.529 4.470 -0.000 0.000 0.266 235 S C 0.453 175.056 174.600 0.005 0.000 1.258 235 S CA -0.530 57.674 58.200 0.007 0.000 0.990 235 S CB 1.088 64.292 63.200 0.007 0.000 0.967 235 S HN 0.650 nan 8.310 nan 0.000 0.556 236 E N 0.380 120.582 120.200 0.003 0.000 2.385 236 E HA 0.125 4.475 4.350 -0.000 0.000 0.194 236 E C -0.142 176.460 176.600 0.004 0.000 1.013 236 E CA 0.226 56.628 56.400 0.003 0.000 0.866 236 E CB 0.346 30.047 29.700 0.002 0.000 0.832 236 E HN 0.203 nan 8.360 nan 0.000 0.500 237 S N 1.850 117.552 115.700 0.004 0.000 2.062 237 S HA 0.260 4.730 4.470 -0.000 0.000 0.163 237 S C -2.515 172.089 174.600 0.006 0.000 1.612 237 S CA -1.055 57.148 58.200 0.005 0.000 1.251 237 S CB 0.553 63.756 63.200 0.005 0.000 1.174 237 S HN 0.002 nan 8.310 nan 0.000 0.428 238 P HA 0.111 nan 4.420 nan 0.000 0.264 238 P C -0.650 176.655 177.300 0.008 0.000 1.193 238 P CA -0.076 63.028 63.100 0.007 0.000 0.763 238 P CB 0.520 32.224 31.700 0.006 0.000 0.810 239 V N 1.842 121.762 119.914 0.009 0.000 2.735 239 V HA 0.619 4.739 4.120 -0.000 0.000 0.310 239 V C -2.614 173.486 176.094 0.010 0.000 1.061 239 V CA -3.063 59.243 62.300 0.011 0.000 0.913 239 V CB 1.530 33.361 31.823 0.014 0.000 1.005 239 V HN 0.288 nan 8.190 nan 0.000 0.428 240 P HA 0.281 nan 4.420 nan 0.000 0.268 240 P C 1.135 178.439 177.300 0.007 0.000 1.205 240 P CA -0.149 62.954 63.100 0.005 0.000 0.771 240 P CB 0.635 32.338 31.700 0.006 0.000 0.858 241 L N 1.583 122.806 121.223 0.000 0.000 2.197 241 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 241 L C 2.143 179.017 176.870 0.007 0.000 1.095 241 L CA 2.008 56.848 54.840 0.000 0.000 0.764 241 L CB -0.844 41.205 42.059 -0.017 0.000 0.897 241 L HN 0.609 nan 8.230 nan 0.000 0.436 242 G N -1.307 107.498 108.800 0.007 0.000 2.939 242 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.210 242 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.210 242 G C 0.606 175.527 174.900 0.034 0.000 1.160 242 G CA 0.322 45.433 45.100 0.019 0.000 0.770 242 G HN 0.404 nan 8.290 nan 0.000 0.543 243 S N 1.887 117.604 115.700 0.029 0.000 2.576 243 S HA 0.423 4.893 4.470 -0.000 0.000 0.276 243 S C -2.196 172.428 174.600 0.039 0.000 1.339 243 S CA -1.284 56.935 58.200 0.032 0.000 1.039 243 S CB 1.117 64.331 63.200 0.024 0.000 0.902 243 S HN 0.126 nan 8.310 nan 0.000 0.516 244 P HA 0.001 nan 4.420 nan 0.000 0.253 244 P C 0.483 177.807 177.300 0.039 0.000 1.159 244 P CA 0.021 63.148 63.100 0.045 0.000 0.779 244 P CB 0.432 32.156 31.700 0.041 0.000 0.745 245 R N 3.446 123.972 120.500 0.043 0.000 2.117 245 R HA -0.043 4.297 4.340 -0.000 0.000 0.243 245 R C 1.284 177.600 176.300 0.027 0.000 1.143 245 R CA 2.260 58.381 56.100 0.035 0.000 0.968 245 R CB -0.495 29.827 30.300 0.037 0.000 0.863 245 R HN 0.771 nan 8.270 nan 0.000 0.444 246 G N -2.360 106.458 108.800 0.029 0.000 2.552 246 G HA2 0.177 4.137 3.960 -0.000 0.000 0.137 246 G HA3 0.177 4.137 3.960 -0.000 0.000 0.137 246 G C -2.446 172.472 174.900 0.030 0.000 1.135 246 G CA -0.625 44.490 45.100 0.026 0.000 1.047 246 G HN 0.129 nan 8.290 nan 0.000 0.501 247 P HA 0.541 nan 4.420 nan 0.000 0.276 247 P C -0.428 176.897 177.300 0.042 0.000 1.243 247 P CA -0.491 62.630 63.100 0.035 0.000 0.768 247 P CB 0.702 32.421 31.700 0.032 0.000 0.856 248 L N 6.557 127.811 121.223 0.052 0.000 2.578 248 L HA 0.101 4.441 4.340 -0.000 0.000 0.279 248 L C -1.655 175.263 176.870 0.080 0.000 1.227 248 L CA -0.714 54.166 54.840 0.068 0.000 0.900 248 L CB -1.180 40.926 42.059 0.078 0.000 1.144 248 L HN 0.386 nan 8.230 nan 0.000 0.496 249 P HA 0.136 nan 4.420 nan 0.000 0.269 249 P C -1.051 176.371 177.300 0.204 0.000 1.217 249 P CA -0.229 62.939 63.100 0.114 0.000 0.783 249 P CB 0.724 32.440 31.700 0.028 0.000 0.898 250 V N 3.523 123.579 119.914 0.237 0.000 2.540 250 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 250 V C -1.191 175.040 176.094 0.227 0.000 1.035 250 V CA -1.077 61.353 62.300 0.216 0.000 0.873 250 V CB 0.959 32.863 31.823 0.135 0.000 0.992 250 V HN 0.332 nan 8.190 nan 0.000 0.428 251 F N 7.258 127.240 119.950 0.053 0.000 2.471 251 F HA 0.503 5.030 4.527 -0.000 0.000 0.365 251 F C 0.297 176.060 175.800 -0.061 0.000 1.095 251 F CA -0.234 57.726 58.000 -0.066 0.000 1.174 251 F CB 0.032 38.992 39.000 -0.066 0.000 1.105 251 F HN 0.592 nan 8.300 nan 0.000 0.535 252 C N 7.308 126.409 119.300 -0.331 0.000 2.295 252 C HA 0.508 4.968 4.460 -0.000 0.000 0.331 252 C C 0.145 175.007 174.990 -0.213 0.000 1.280 252 C CA -1.061 57.864 59.018 -0.154 0.000 1.746 252 C CB 0.306 27.963 27.740 -0.138 0.000 2.328 252 C HN 0.888 nan 8.230 nan 0.000 0.521 253 R N 2.558 123.076 120.500 0.031 0.000 2.539 253 R HA 0.707 5.047 4.340 -0.000 0.000 0.275 253 R C 0.140 176.431 176.300 -0.013 0.000 1.077 253 R CA 0.151 56.295 56.100 0.072 0.000 1.097 253 R CB 0.555 30.943 30.300 0.148 0.000 1.018 253 R HN 0.952 nan 8.270 nan 0.000 0.483 254 G N 0.891 109.677 108.800 -0.023 0.000 2.349 254 G HA2 0.331 4.291 3.960 -0.000 0.000 0.294 254 G HA3 0.331 4.291 3.960 -0.000 0.000 0.294 254 G C -1.920 172.937 174.900 -0.072 0.000 1.380 254 G CA -0.857 44.217 45.100 -0.043 0.000 0.811 254 G HN 0.807 nan 8.290 nan 0.000 0.519 255 E N -0.831 119.302 120.200 -0.111 0.000 2.372 255 E HA 0.695 5.045 4.350 -0.000 0.000 0.279 255 E C -1.225 175.207 176.600 -0.279 0.000 0.946 255 E CA -1.144 55.102 56.400 -0.257 0.000 0.769 255 E CB 2.875 32.369 29.700 -0.343 0.000 1.230 255 E HN 0.501 nan 8.360 nan 0.000 0.442 256 R N 2.828 123.099 120.500 -0.381 0.000 2.507 256 R HA 0.323 4.663 4.340 -0.000 0.000 0.298 256 R C -1.739 174.382 176.300 -0.299 0.000 1.087 256 R CA -0.607 55.364 56.100 -0.216 0.000 0.917 256 R CB 0.847 31.122 30.300 -0.042 0.000 1.173 256 R HN 0.454 nan 8.270 nan 0.000 0.472 257 F N 5.271 125.225 119.950 0.007 0.000 2.405 257 F HA 0.433 4.960 4.527 -0.000 0.000 0.355 257 F C 0.545 176.331 175.800 -0.024 0.000 1.121 257 F CA -0.545 57.447 58.000 -0.013 0.000 1.112 257 F CB 1.218 40.211 39.000 -0.011 0.000 1.126 257 F HN 0.284 nan 8.300 nan 0.000 0.481 258 I N 4.178 124.815 120.570 0.112 0.000 2.388 258 I HA 0.198 4.368 4.170 -0.000 0.000 0.281 258 I C -0.013 176.119 176.117 0.024 0.000 1.046 258 I CA -0.700 60.616 61.300 0.027 0.000 1.187 258 I CB 0.872 38.820 38.000 -0.086 0.000 1.351 258 I HN 0.485 nan 8.210 nan 0.000 0.472 259 K N 4.652 125.073 120.400 0.035 0.000 2.412 259 K HA 0.124 4.444 4.320 -0.000 0.000 0.281 259 K C -0.153 176.439 176.600 -0.015 0.000 1.027 259 K CA 0.306 56.597 56.287 0.007 0.000 0.989 259 K CB 0.577 33.079 32.500 0.003 0.000 0.935 259 K HN 0.395 nan 8.250 nan 0.000 0.475 260 E N 3.861 124.042 120.200 -0.031 0.000 2.829 260 E HA 0.129 4.479 4.350 -0.000 0.000 0.350 260 E C -0.836 175.737 176.600 -0.046 0.000 1.119 260 E CA -0.267 56.107 56.400 -0.044 0.000 0.764 260 E CB -0.060 29.594 29.700 -0.077 0.000 1.576 260 E HN 0.560 nan 8.360 nan 0.000 0.379 261 N N 1.115 119.795 118.700 -0.032 0.000 2.571 261 N HA -0.082 4.658 4.740 -0.000 0.000 0.189 261 N C 1.164 176.658 175.510 -0.026 0.000 1.154 261 N CA 1.177 54.209 53.050 -0.030 0.000 0.907 261 N CB 0.327 38.799 38.487 -0.025 0.000 0.977 261 N HN 0.602 nan 8.380 nan 0.000 0.449 262 T N -2.275 112.264 114.554 -0.026 0.000 3.057 262 T HA 0.147 4.497 4.350 -0.000 0.000 0.254 262 T C 0.904 175.594 174.700 -0.017 0.000 1.094 262 T CA -0.125 61.965 62.100 -0.015 0.000 1.088 262 T CB 0.064 68.929 68.868 -0.004 0.000 0.934 262 T HN -0.011 nan 8.240 nan 0.000 0.497 263 L N 2.421 123.617 121.223 -0.044 0.000 2.410 263 L HA 0.259 4.599 4.340 -0.000 0.000 0.273 263 L C -1.328 175.527 176.870 -0.025 0.000 1.152 263 L CA -1.801 53.005 54.840 -0.058 0.000 0.855 263 L CB 0.999 42.961 42.059 -0.162 0.000 1.129 263 L HN 0.056 nan 8.230 nan 0.000 0.463 264 P HA -0.034 nan 4.420 nan 0.000 0.220 264 P C 0.193 177.494 177.300 0.002 0.000 1.152 264 P CA 0.713 63.820 63.100 0.013 0.000 0.812 264 P CB 0.154 31.878 31.700 0.039 0.000 0.792 265 T N -4.088 110.475 114.554 0.015 0.000 2.887 265 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 265 T C -0.389 174.255 174.700 -0.093 0.000 1.021 265 T CA -0.601 61.470 62.100 -0.048 0.000 1.000 265 T CB 1.495 70.331 68.868 -0.053 0.000 1.034 265 T HN -0.311 nan 8.240 nan 0.000 0.467 266 T N 2.382 116.826 114.554 -0.183 0.000 2.855 266 T HA 0.461 4.811 4.350 -0.000 0.000 0.281 266 T C -0.801 173.717 174.700 -0.304 0.000 1.007 266 T CA -0.670 61.361 62.100 -0.117 0.000 1.009 266 T CB 0.532 69.366 68.868 -0.056 0.000 0.983 266 T HN 0.657 nan 8.240 nan 0.000 0.455 267 H N 2.650 121.685 119.070 -0.058 0.000 2.589 267 H HA 0.494 5.050 4.556 -0.000 0.000 0.335 267 H C -0.915 174.397 175.328 -0.026 0.000 1.019 267 H CA -0.578 55.444 56.048 -0.042 0.000 1.213 267 H CB 1.429 31.245 29.762 0.089 0.000 1.472 267 H HN 0.329 nan 8.280 nan 0.000 0.508 268 I N 2.177 122.753 120.570 0.008 0.000 2.498 268 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 268 I C -0.185 176.000 176.117 0.113 0.000 1.032 268 I CA -0.526 60.799 61.300 0.042 0.000 1.073 268 I CB 2.079 40.090 38.000 0.018 0.000 1.251 268 I HN 0.596 nan 8.210 nan 0.000 0.426 269 A N 7.102 129.992 122.820 0.117 0.000 2.330 269 A HA 0.896 5.216 4.320 -0.000 0.000 0.313 269 A C -0.786 176.951 177.584 0.254 0.000 1.124 269 A CA -0.408 51.760 52.037 0.219 0.000 0.774 269 A CB 0.680 19.634 19.000 -0.077 0.000 1.198 269 A HN 0.654 nan 8.150 nan 0.000 0.465 270 I N 2.172 122.973 120.570 0.385 0.000 2.389 270 I HA 0.621 4.791 4.170 -0.000 0.000 0.288 270 I C 0.329 176.737 176.117 0.484 0.000 0.999 270 I CA -0.231 61.282 61.300 0.356 0.000 1.129 270 I CB 1.916 40.094 38.000 0.296 0.000 1.288 270 I HN 0.754 nan 8.210 nan 0.000 0.444 271 A N 6.765 129.853 122.820 0.447 0.000 2.469 271 A HA 0.980 5.300 4.320 -0.000 0.000 0.299 271 A C -1.345 176.484 177.584 0.408 0.000 1.098 271 A CA -0.457 51.861 52.037 0.467 0.000 0.737 271 A CB 1.718 21.073 19.000 0.592 0.000 1.312 271 A HN 0.546 nan 8.150 nan 0.000 0.414 272 L N -0.197 121.169 121.223 0.238 0.000 2.359 272 L HA 0.514 4.854 4.340 -0.000 0.000 0.256 272 L C 0.125 176.776 176.870 -0.365 0.000 1.026 272 L CA -0.545 54.171 54.840 -0.206 0.000 0.828 272 L CB 1.855 43.737 42.059 -0.294 0.000 1.406 272 L HN 0.894 nan 8.230 nan 0.000 0.413 273 E N -0.026 119.528 120.200 -1.077 0.000 2.465 273 E HA 0.339 4.689 4.350 -0.000 0.000 0.260 273 E C 0.155 176.644 176.600 -0.186 0.000 0.980 273 E CA 0.506 56.593 56.400 -0.521 0.000 0.927 273 E CB 0.696 30.054 29.700 -0.570 0.000 0.934 273 E HN 0.652 nan 8.360 nan 0.000 0.459 274 G N 3.034 111.880 108.800 0.076 0.000 2.945 274 G HA2 0.393 4.353 3.960 -0.000 0.000 0.156 274 G HA3 0.393 4.353 3.960 -0.000 0.000 0.156 274 G C -0.839 174.154 174.900 0.155 0.000 1.375 274 G CA -0.384 44.810 45.100 0.157 0.000 1.039 274 G HN 0.526 nan 8.290 nan 0.000 0.586 275 V N 0.007 120.030 119.914 0.181 0.000 2.823 275 V HA 0.613 4.733 4.120 -0.000 0.000 0.312 275 V C 0.296 176.448 176.094 0.097 0.000 1.072 275 V CA -0.307 62.095 62.300 0.171 0.000 0.937 275 V CB 2.003 33.947 31.823 0.203 0.000 1.013 275 V HN 1.072 nan 8.190 nan 0.000 0.430 276 S N 3.342 119.099 115.700 0.095 0.000 2.707 276 S HA 0.297 4.767 4.470 -0.000 0.000 0.276 276 S C 0.610 175.209 174.600 -0.002 0.000 1.179 276 S CA -0.282 57.918 58.200 0.000 0.000 0.992 276 S CB 0.683 63.932 63.200 0.082 0.000 1.030 276 S HN 0.752 nan 8.310 nan 0.000 0.554 277 W N 0.823 122.090 121.300 -0.054 0.000 2.325 277 W HA -0.126 4.533 4.660 -0.000 0.000 0.299 277 W C 2.678 178.951 176.519 -0.410 0.000 1.215 277 W CA 1.157 58.294 57.345 -0.347 0.000 1.244 277 W CB -0.380 28.945 29.460 -0.225 0.000 1.140 277 W HN 0.870 nan 8.180 nan 0.000 0.523 278 S N -0.634 115.114 115.700 0.078 0.000 2.556 278 S HA 0.463 4.933 4.470 -0.000 0.000 0.216 278 S C 0.887 175.521 174.600 0.056 0.000 0.970 278 S CA -0.100 58.121 58.200 0.035 0.000 0.912 278 S CB -0.532 62.707 63.200 0.066 0.000 0.790 278 S HN 0.128 nan 8.310 nan 0.000 0.504 279 A N 3.101 125.972 122.820 0.085 0.000 2.565 279 A HA 0.362 4.682 4.320 -0.000 0.000 0.237 279 A C -0.954 176.707 177.584 0.130 0.000 1.053 279 A CA -0.884 51.225 52.037 0.119 0.000 0.755 279 A CB -0.136 18.961 19.000 0.162 0.000 0.980 279 A HN 0.311 nan 8.150 nan 0.000 0.506 280 P HA -0.105 nan 4.420 nan 0.000 0.220 280 P C 0.472 177.864 177.300 0.153 0.000 1.148 280 P CA 1.467 64.641 63.100 0.124 0.000 0.803 280 P CB 0.086 31.836 31.700 0.083 0.000 0.782 281 D N -2.234 118.253 120.400 0.145 0.000 2.325 281 D HA -0.098 4.542 4.640 -0.000 0.000 0.225 281 D C 1.573 177.893 176.300 0.032 0.000 1.096 281 D CA -0.441 53.635 54.000 0.127 0.000 0.844 281 D CB -1.114 39.830 40.800 0.239 0.000 0.925 281 D HN 0.154 nan 8.370 nan 0.000 0.513 282 Y N 1.385 121.631 120.300 -0.090 0.000 2.069 282 Y HA -0.306 4.244 4.550 -0.000 0.000 0.278 282 Y C 1.421 177.101 175.900 -0.367 0.000 1.175 282 Y CA 1.934 59.876 58.100 -0.264 0.000 1.134 282 Y CB -0.539 37.670 38.460 -0.418 0.000 0.965 282 Y HN -0.104 nan 8.280 nan 0.000 0.498 283 F N -1.166 118.720 119.950 -0.108 0.000 2.234 283 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 283 F C 2.420 178.038 175.800 -0.303 0.000 1.087 283 F CA 1.288 59.154 58.000 -0.222 0.000 1.340 283 F CB -1.078 37.905 39.000 -0.029 0.000 1.031 283 F HN -0.111 nan 8.300 nan 0.000 0.500 284 V N -0.035 119.788 119.914 -0.152 0.000 2.490 284 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 284 V C 2.533 178.198 176.094 -0.716 0.000 1.061 284 V CA 1.651 63.761 62.300 -0.317 0.000 1.064 284 V CB -1.238 30.436 31.823 -0.248 0.000 0.670 284 V HN 0.363 nan 8.190 nan 0.000 0.461 285 A N -0.309 121.950 122.820 -0.936 0.000 1.898 285 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 285 A C 2.184 179.436 177.584 -0.554 0.000 1.181 285 A CA 1.478 52.750 52.037 -1.274 0.000 0.620 285 A CB -0.411 18.121 19.000 -0.780 0.000 0.819 285 A HN 0.486 nan 8.150 nan 0.000 0.442 286 L N -0.922 120.039 121.223 -0.437 0.000 2.093 286 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 286 L C 3.074 179.855 176.870 -0.148 0.000 1.085 286 L CA 0.980 55.667 54.840 -0.254 0.000 0.755 286 L CB -0.644 41.236 42.059 -0.299 0.000 0.904 286 L HN 0.462 nan 8.230 nan 0.000 0.435 287 A N -0.092 122.623 122.820 -0.176 0.000 1.902 287 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 287 A C 2.331 179.869 177.584 -0.077 0.000 1.181 287 A CA 2.244 54.217 52.037 -0.107 0.000 0.623 287 A CB -0.798 18.135 19.000 -0.112 0.000 0.818 287 A HN 0.373 nan 8.150 nan 0.000 0.443 288 T N -0.480 113.988 114.554 -0.143 0.000 2.867 288 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 288 T C 2.019 176.841 174.700 0.204 0.000 1.057 288 T CA 1.367 63.467 62.100 0.001 0.000 1.136 288 T CB -0.203 68.566 68.868 -0.165 0.000 0.874 288 T HN 0.637 nan 8.240 nan 0.000 0.466 289 Q N 0.810 120.715 119.800 0.175 0.000 2.084 289 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 289 Q C 2.478 178.492 176.000 0.022 0.000 0.978 289 Q CA 1.554 57.372 55.803 0.026 0.000 0.844 289 Q CB -0.274 28.388 28.738 -0.126 0.000 0.898 289 Q HN 0.552 nan 8.270 nan 0.000 0.426 290 A N 0.514 123.348 122.820 0.023 0.000 1.969 290 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 290 A C 1.957 179.580 177.584 0.065 0.000 1.169 290 A CA 0.819 52.877 52.037 0.035 0.000 0.635 290 A CB -0.481 18.528 19.000 0.015 0.000 0.810 290 A HN 0.477 nan 8.150 nan 0.000 0.445 291 I N -0.493 120.123 120.570 0.076 0.000 2.286 291 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 291 I C 2.213 178.406 176.117 0.127 0.000 1.115 291 I CA 1.018 62.374 61.300 0.092 0.000 1.392 291 I CB 0.012 38.068 38.000 0.093 0.000 1.065 291 I HN 0.182 nan 8.210 nan 0.000 0.418 292 V N 0.248 120.259 119.914 0.162 0.000 2.346 292 V HA 0.096 4.216 4.120 -0.000 0.000 0.244 292 V C 1.423 177.632 176.094 0.190 0.000 1.037 292 V CA 1.072 63.480 62.300 0.180 0.000 1.029 292 V CB -1.314 30.653 31.823 0.241 0.000 0.663 292 V HN 0.671 nan 8.190 nan 0.000 0.454 293 G N 0.904 109.804 108.800 0.167 0.000 2.645 293 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 293 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 293 G C -0.399 174.689 174.900 0.314 0.000 1.322 293 G CA 0.116 45.331 45.100 0.190 0.000 0.898 293 G HN 0.467 nan 8.290 nan 0.000 0.573 294 N N -1.198 117.651 118.700 0.248 0.000 2.545 294 N HA 0.719 5.459 4.740 -0.000 0.000 0.289 294 N C -1.214 174.263 175.510 -0.056 0.000 1.279 294 N CA -0.023 53.125 53.050 0.163 0.000 0.824 294 N CB 2.194 40.734 38.487 0.089 0.000 1.395 294 N HN 0.938 nan 8.380 nan 0.000 0.526 295 W N 0.544 121.443 121.300 -0.668 0.000 3.571 295 W HA 0.295 4.955 4.660 -0.000 0.000 0.294 295 W C -2.173 174.064 176.519 -0.470 0.000 1.257 295 W CA -0.446 56.494 57.345 -0.675 0.000 1.206 295 W CB 1.126 29.898 29.460 -1.147 0.000 1.325 295 W HN 0.294 nan 8.180 nan 0.000 0.546 296 D N 5.011 124.648 120.400 -1.272 0.000 2.757 296 D HA 0.215 4.855 4.640 -0.000 0.000 0.249 296 D C 0.876 176.205 176.300 -1.618 0.000 1.168 296 D CA -0.455 52.834 54.000 -1.184 0.000 0.870 296 D CB 2.160 42.625 40.800 -0.558 0.000 1.411 296 D HN 0.728 nan 8.370 nan 0.000 0.525 297 R N 2.742 122.305 120.500 -1.563 0.000 2.153 297 R HA -0.239 4.101 4.340 -0.000 0.000 0.252 297 R C 1.522 177.580 176.300 -0.403 0.000 1.158 297 R CA 2.394 57.967 56.100 -0.877 0.000 0.975 297 R CB 0.066 30.146 30.300 -0.366 0.000 0.871 297 R HN 0.477 nan 8.270 nan 0.000 0.450 298 A N 0.190 122.798 122.820 -0.354 0.000 1.871 298 A HA 0.044 4.364 4.320 -0.000 0.000 0.211 298 A C 1.934 179.408 177.584 -0.185 0.000 1.207 298 A CA 0.477 52.396 52.037 -0.197 0.000 0.620 298 A CB -0.021 18.891 19.000 -0.146 0.000 0.860 298 A HN 0.214 nan 8.150 nan 0.000 0.450 299 I N -0.740 119.687 120.570 -0.238 0.000 2.617 299 I HA 0.124 4.294 4.170 -0.000 0.000 0.256 299 I C 1.672 177.690 176.117 -0.164 0.000 1.167 299 I CA 1.462 62.655 61.300 -0.178 0.000 1.469 299 I CB -1.855 36.044 38.000 -0.167 0.000 1.098 299 I HN 0.541 nan 8.210 nan 0.000 0.436 300 G N 1.253 109.891 108.800 -0.271 0.000 2.475 300 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.223 300 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.223 300 G C 0.659 175.516 174.900 -0.071 0.000 1.201 300 G CA 0.487 45.523 45.100 -0.108 0.000 0.962 300 G HN 0.266 nan 8.290 nan 0.000 0.586 301 T N -2.251 112.345 114.554 0.070 0.000 2.990 301 T HA 0.481 4.831 4.350 -0.000 0.000 0.250 301 T C 2.379 177.100 174.700 0.036 0.000 1.041 301 T CA 1.684 63.835 62.100 0.085 0.000 1.010 301 T CB 0.552 69.510 68.868 0.150 0.000 1.003 301 T HN 2.825 nan 8.240 nan 0.000 0.499 302 G N 0.764 109.574 108.800 0.017 0.000 2.136 302 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 302 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 302 G C 0.078 174.994 174.900 0.027 0.000 0.989 302 G CA 0.248 45.355 45.100 0.012 0.000 0.682 302 G HN 0.790 nan 8.290 nan 0.000 0.522 303 T N -0.454 114.124 114.554 0.040 0.000 2.900 303 T HA 0.442 4.792 4.350 -0.000 0.000 0.295 303 T C 1.091 175.816 174.700 0.041 0.000 1.044 303 T CA -0.027 62.099 62.100 0.043 0.000 0.995 303 T CB 1.660 70.562 68.868 0.057 0.000 1.072 303 T HN 0.144 nan 8.240 nan 0.000 0.473 304 N N 1.079 119.800 118.700 0.035 0.000 2.188 304 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 304 N C -0.083 175.449 175.510 0.036 0.000 1.018 304 N CA 0.669 53.738 53.050 0.032 0.000 0.858 304 N CB 0.276 38.778 38.487 0.026 0.000 0.989 304 N HN 0.362 nan 8.380 nan 0.000 0.426 305 S N 1.553 117.277 115.700 0.040 0.000 2.659 305 S HA 0.462 4.932 4.470 -0.000 0.000 0.312 305 S C -2.585 172.046 174.600 0.053 0.000 1.114 305 S CA -0.958 57.267 58.200 0.042 0.000 1.063 305 S CB 2.207 65.427 63.200 0.034 0.000 0.996 305 S HN 0.152 nan 8.310 nan 0.000 0.478 306 P HA 0.250 nan 4.420 nan 0.000 0.275 306 P C -0.123 177.209 177.300 0.054 0.000 1.228 306 P CA -0.490 62.654 63.100 0.073 0.000 0.786 306 P CB 0.542 32.290 31.700 0.080 0.000 0.927 307 S N 2.470 118.209 115.700 0.065 0.000 2.600 307 S HA 0.225 4.695 4.470 -0.000 0.000 0.265 307 S C -1.687 172.918 174.600 0.009 0.000 1.325 307 S CA -0.792 57.435 58.200 0.046 0.000 1.002 307 S CB -0.025 63.216 63.200 0.068 0.000 0.921 307 S HN 0.226 nan 8.310 nan 0.000 0.554 308 P HA -0.061 nan 4.420 nan 0.000 0.218 308 P C 1.584 178.840 177.300 -0.074 0.000 1.148 308 P CA 0.432 63.512 63.100 -0.034 0.000 0.822 308 P CB -0.042 31.642 31.700 -0.026 0.000 0.784 309 L N -0.203 120.971 121.223 -0.081 0.000 2.027 309 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 309 L C 2.195 178.964 176.870 -0.168 0.000 1.074 309 L CA 2.121 56.870 54.840 -0.152 0.000 0.745 309 L CB -1.583 40.351 42.059 -0.209 0.000 0.898 309 L HN -0.115 nan 8.230 nan 0.000 0.433 310 A N -0.803 121.966 122.820 -0.084 0.000 1.902 310 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 310 A C 2.282 179.649 177.584 -0.362 0.000 1.181 310 A CA 2.118 53.992 52.037 -0.271 0.000 0.623 310 A CB -1.218 17.775 19.000 -0.011 0.000 0.818 310 A HN 0.332 nan 8.150 nan 0.000 0.443 311 V N -0.162 119.656 119.914 -0.159 0.000 2.255 311 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 311 V C 3.089 179.087 176.094 -0.161 0.000 1.051 311 V CA 2.100 64.333 62.300 -0.112 0.000 1.018 311 V CB -1.267 30.523 31.823 -0.054 0.000 0.641 311 V HN 0.635 nan 8.190 nan 0.000 0.445 312 A N -0.070 122.645 122.820 -0.175 0.000 1.883 312 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 312 A C 2.445 179.877 177.584 -0.254 0.000 1.186 312 A CA 2.258 54.192 52.037 -0.172 0.000 0.624 312 A CB -0.936 17.971 19.000 -0.156 0.000 0.822 312 A HN 0.612 nan 8.150 nan 0.000 0.444 313 A N 0.213 122.771 122.820 -0.437 0.000 1.948 313 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 313 A C 2.478 179.708 177.584 -0.590 0.000 1.177 313 A CA 2.595 54.215 52.037 -0.695 0.000 0.636 313 A CB -0.914 17.285 19.000 -1.335 0.000 0.815 313 A HN 1.126 nan 8.150 nan 0.000 0.449 314 S N -1.033 114.414 115.700 -0.421 0.000 2.496 314 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 314 S C 0.924 175.544 174.600 0.034 0.000 0.996 314 S CA -0.029 58.190 58.200 0.031 0.000 0.927 314 S CB -0.236 63.077 63.200 0.189 0.000 0.774 314 S HN 0.664 nan 8.310 nan 0.000 0.524 315 Q N 2.248 122.024 119.800 -0.040 0.000 2.396 315 Q HA 0.191 4.531 4.340 -0.000 0.000 0.221 315 Q C -0.187 175.818 176.000 0.009 0.000 1.025 315 Q CA -0.236 55.561 55.803 -0.010 0.000 0.946 315 Q CB 0.156 28.875 28.738 -0.032 0.000 1.224 315 Q HN 0.674 nan 8.270 nan 0.000 0.539 316 N N 0.148 118.857 118.700 0.015 0.000 2.725 316 N HA -0.307 4.433 4.740 -0.000 0.000 0.280 316 N C 0.476 176.010 175.510 0.041 0.000 1.017 316 N CA 0.880 53.943 53.050 0.022 0.000 0.813 316 N CB -1.512 36.981 38.487 0.010 0.000 0.931 316 N HN 1.027 nan 8.380 nan 0.000 0.570 317 G N -0.782 108.052 108.800 0.057 0.000 2.268 317 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.240 317 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.240 317 G C 0.042 175.028 174.900 0.144 0.000 1.010 317 G CA 1.099 46.247 45.100 0.080 0.000 0.618 317 G HN 2.475 nan 8.290 nan 0.000 0.516 318 S N -2.315 113.474 115.700 0.147 0.000 2.871 318 S HA -0.021 4.449 4.470 -0.000 0.000 0.854 318 S C 0.315 175.007 174.600 0.153 0.000 0.894 318 S CA 0.421 58.739 58.200 0.197 0.000 1.455 318 S CB -1.078 62.327 63.200 0.341 0.000 1.043 318 S HN 1.305 nan 8.310 nan 0.000 0.226 319 L N 1.335 122.522 121.223 -0.061 0.000 2.554 319 L HA 0.669 5.009 4.340 -0.000 0.000 0.225 319 L C 1.180 177.658 176.870 -0.653 0.000 1.104 319 L CA 0.804 55.524 54.840 -0.199 0.000 0.866 319 L CB -0.143 41.809 42.059 -0.178 0.000 1.047 319 L HN 1.141 nan 8.230 nan 0.000 0.468 320 A N -1.029 121.339 122.820 -0.752 0.000 2.511 320 A HA 0.404 4.724 4.320 -0.000 0.000 0.293 320 A C -0.500 177.019 177.584 -0.107 0.000 1.098 320 A CA -0.532 51.067 52.037 -0.731 0.000 0.643 320 A CB 0.516 19.420 19.000 -0.160 0.000 1.302 320 A HN -0.098 nan 8.150 nan 0.000 0.446 321 N N -0.030 118.674 118.700 0.007 0.000 2.402 321 N HA 0.186 4.926 4.740 -0.000 0.000 0.174 321 N C 0.282 175.695 175.510 -0.162 0.000 1.027 321 N CA 1.412 54.462 53.050 0.000 0.000 0.891 321 N CB 0.298 38.780 38.487 -0.008 0.000 1.016 321 N HN 1.141 nan 8.380 nan 0.000 0.439 322 S N -1.223 114.461 115.700 -0.027 0.000 2.633 322 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 322 S C -1.896 172.779 174.600 0.126 0.000 1.112 322 S CA -1.069 57.090 58.200 -0.068 0.000 0.828 322 S CB 0.804 63.895 63.200 -0.182 0.000 1.086 322 S HN 0.192 nan 8.310 nan 0.000 0.461 323 Y N -0.522 119.897 120.300 0.200 0.000 2.544 323 Y HA 0.853 5.403 4.550 -0.000 0.000 0.342 323 Y C -0.989 175.015 175.900 0.174 0.000 1.062 323 Y CA -1.489 56.687 58.100 0.126 0.000 1.023 323 Y CB 1.540 40.061 38.460 0.102 0.000 1.308 323 Y HN 1.023 nan 8.280 nan 0.000 0.457 324 M N 3.342 123.231 119.600 0.482 0.000 2.224 324 M HA 0.557 5.037 4.480 -0.000 0.000 0.281 324 M C -1.572 174.983 176.300 0.424 0.000 1.025 324 M CA -0.350 55.208 55.300 0.430 0.000 0.954 324 M CB 1.911 34.771 32.600 0.434 0.000 1.639 324 M HN 0.852 nan 8.290 nan 0.000 0.461 325 S N 4.405 120.265 115.700 0.267 0.000 2.580 325 S HA 0.686 5.155 4.470 -0.000 0.000 0.274 325 S C -0.853 173.769 174.600 0.036 0.000 1.329 325 S CA -0.328 57.887 58.200 0.026 0.000 1.036 325 S CB 0.433 63.580 63.200 -0.089 0.000 0.919 325 S HN 0.517 nan 8.310 nan 0.000 0.515 326 F N -0.557 119.278 119.950 -0.191 0.000 2.626 326 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 326 F C -0.505 175.092 175.800 -0.338 0.000 1.088 326 F CA -1.004 56.882 58.000 -0.191 0.000 0.949 326 F CB 1.537 40.482 39.000 -0.092 0.000 1.322 326 F HN 0.404 nan 8.300 nan 0.000 0.461 327 S N 1.073 116.766 115.700 -0.012 0.000 2.750 327 S HA 0.618 5.088 4.470 -0.000 0.000 0.276 327 S C -1.506 173.116 174.600 0.036 0.000 1.165 327 S CA -0.299 57.890 58.200 -0.017 0.000 1.047 327 S CB 1.051 64.215 63.200 -0.059 0.000 1.056 327 S HN 0.879 nan 8.310 nan 0.000 0.481 328 T N 3.708 118.302 114.554 0.066 0.000 2.823 328 T HA 0.645 4.994 4.350 -0.000 0.000 0.279 328 T C -0.476 173.990 174.700 -0.390 0.000 0.998 328 T CA -0.513 61.490 62.100 -0.162 0.000 0.994 328 T CB 1.625 70.427 68.868 -0.110 0.000 0.960 328 T HN 0.460 nan 8.240 nan 0.000 0.448 329 S N 1.393 116.619 115.700 -0.790 0.000 2.566 329 S HA 0.784 5.254 4.470 -0.000 0.000 0.298 329 S C -1.460 172.216 174.600 -1.540 0.000 1.083 329 S CA -0.647 56.888 58.200 -1.108 0.000 0.978 329 S CB 0.834 63.259 63.200 -1.291 0.000 1.073 329 S HN 0.573 nan 8.310 nan 0.000 0.491 330 Y N -0.315 119.617 120.300 -0.612 0.000 2.634 330 Y HA 0.589 5.139 4.550 -0.000 0.000 0.340 330 Y C 1.073 176.932 175.900 -0.069 0.000 1.058 330 Y CA -1.009 56.964 58.100 -0.211 0.000 1.081 330 Y CB 0.701 39.150 38.460 -0.017 0.000 1.295 330 Y HN 0.684 nan 8.280 nan 0.000 0.487 331 A N 0.118 123.226 122.820 0.481 0.000 1.940 331 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 331 A C 0.948 178.669 177.584 0.228 0.000 1.176 331 A CA 2.355 54.643 52.037 0.417 0.000 0.631 331 A CB -0.655 18.536 19.000 0.319 0.000 0.814 331 A HN 0.785 nan 8.150 nan 0.000 0.446 332 D N -2.618 117.896 120.400 0.190 0.000 2.469 332 D HA 0.372 5.012 4.640 -0.000 0.000 0.215 332 D C 0.259 176.652 176.300 0.155 0.000 1.154 332 D CA 0.578 54.663 54.000 0.141 0.000 0.832 332 D CB 0.102 40.963 40.800 0.101 0.000 1.008 332 D HN 0.189 nan 8.370 nan 0.000 0.506 333 S N -1.730 114.089 115.700 0.198 0.000 2.655 333 S HA 0.732 5.202 4.470 -0.000 0.000 0.266 333 S C -1.399 173.363 174.600 0.270 0.000 1.149 333 S CA -0.238 58.120 58.200 0.264 0.000 0.818 333 S CB 1.242 64.643 63.200 0.334 0.000 1.130 333 S HN 0.469 nan 8.310 nan 0.000 0.476 334 G N 0.495 109.489 108.800 0.322 0.000 2.632 334 G HA2 0.594 4.554 3.960 -0.000 0.000 0.292 334 G HA3 0.594 4.554 3.960 -0.000 0.000 0.292 334 G C -2.355 172.738 174.900 0.322 0.000 1.465 334 G CA -0.618 44.612 45.100 0.216 0.000 0.824 334 G HN 0.737 nan 8.290 nan 0.000 0.509 335 L N -0.121 121.281 121.223 0.300 0.000 2.365 335 L HA 0.719 5.059 4.340 -0.000 0.000 0.273 335 L C -1.263 175.854 176.870 0.413 0.000 1.000 335 L CA -0.680 54.397 54.840 0.396 0.000 0.819 335 L CB 2.714 45.024 42.059 0.418 0.000 1.284 335 L HN 0.677 nan 8.230 nan 0.000 0.418 336 W N 2.992 124.343 121.300 0.084 0.000 2.957 336 W HA 0.698 5.359 4.660 0.000 0.000 0.336 336 W C -0.151 176.098 176.519 -0.451 0.000 1.087 336 W CA 0.006 57.242 57.345 -0.181 0.000 1.235 336 W CB 2.049 31.480 29.460 -0.048 0.000 1.399 336 W HN 0.630 nan 8.180 nan 0.000 0.480 337 G N 3.248 111.255 108.800 -1.323 0.000 2.393 337 G HA2 0.420 4.380 3.960 -0.000 0.000 0.264 337 G HA3 0.420 4.380 3.960 -0.000 0.000 0.264 337 G C -2.074 172.311 174.900 -0.859 0.000 1.221 337 G CA -0.994 43.586 45.100 -0.867 0.000 0.912 337 G HN 0.482 nan 8.290 nan 0.000 0.483 338 M N 0.182 119.791 119.600 0.016 0.000 2.395 338 M HA 0.749 5.229 4.480 -0.000 0.000 0.307 338 M C -1.968 174.725 176.300 0.655 0.000 1.091 338 M CA -1.133 54.337 55.300 0.284 0.000 0.919 338 M CB 1.914 34.584 32.600 0.116 0.000 1.662 338 M HN 0.641 nan 8.290 nan 0.000 0.440 339 Y N 5.693 126.315 120.300 0.535 0.000 2.328 339 Y HA 0.768 5.318 4.550 -0.000 0.000 0.337 339 Y C -1.612 174.450 175.900 0.270 0.000 0.966 339 Y CA -1.294 57.048 58.100 0.403 0.000 1.136 339 Y CB 0.758 39.501 38.460 0.470 0.000 1.170 339 Y HN 0.687 nan 8.280 nan 0.000 0.470 340 I N 6.577 126.979 120.570 -0.280 0.000 2.474 340 I HA 0.527 4.697 4.170 -0.000 0.000 0.294 340 I C -1.058 174.751 176.117 -0.513 0.000 1.005 340 I CA -1.200 59.927 61.300 -0.288 0.000 1.113 340 I CB 1.972 39.910 38.000 -0.103 0.000 1.289 340 I HN 0.287 nan 8.210 nan 0.000 0.436 341 V N 4.028 123.707 119.914 -0.392 0.000 2.444 341 V HA 0.528 4.648 4.120 -0.000 0.000 0.294 341 V C 0.083 176.045 176.094 -0.221 0.000 1.022 341 V CA -0.398 61.653 62.300 -0.415 0.000 0.850 341 V CB 1.800 33.411 31.823 -0.353 0.000 0.992 341 V HN 0.930 nan 8.190 nan 0.000 0.426 342 T N -0.099 114.340 114.554 -0.192 0.000 2.926 342 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 342 T C -0.711 174.034 174.700 0.075 0.000 1.054 342 T CA -0.754 61.353 62.100 0.012 0.000 1.015 342 T CB 2.104 70.996 68.868 0.040 0.000 1.167 342 T HN 0.529 nan 8.240 nan 0.000 0.526 343 D N 0.551 121.136 120.400 0.307 0.000 2.325 343 D HA 0.197 4.837 4.640 -0.000 0.000 0.251 343 D C 0.999 177.292 176.300 -0.012 0.000 1.196 343 D CA -0.142 53.882 54.000 0.041 0.000 0.866 343 D CB 1.320 42.030 40.800 -0.150 0.000 1.101 343 D HN 0.527 nan 8.370 nan 0.000 0.476 344 S N 3.563 119.244 115.700 -0.031 0.000 2.420 344 S HA -0.148 4.322 4.470 -0.000 0.000 0.237 344 S C 1.376 175.948 174.600 -0.047 0.000 1.023 344 S CA 0.909 59.088 58.200 -0.036 0.000 0.991 344 S CB 0.068 63.247 63.200 -0.036 0.000 0.792 344 S HN 0.585 nan 8.310 nan 0.000 0.488 345 N N 0.218 118.877 118.700 -0.068 0.000 2.432 345 N HA 0.082 4.822 4.740 -0.000 0.000 0.174 345 N C 1.480 176.926 175.510 -0.107 0.000 1.037 345 N CA 0.532 53.537 53.050 -0.075 0.000 0.892 345 N CB -0.080 38.368 38.487 -0.066 0.000 1.049 345 N HN 0.218 nan 8.380 nan 0.000 0.442 346 E N 0.092 120.178 120.200 -0.189 0.000 2.340 346 E HA 0.117 4.467 4.350 -0.000 0.000 0.194 346 E C -0.336 176.087 176.600 -0.295 0.000 0.996 346 E CA 0.453 56.685 56.400 -0.281 0.000 0.869 346 E CB 0.178 29.628 29.700 -0.417 0.000 0.835 346 E HN 0.449 nan 8.360 nan 0.000 0.493 347 H N -0.406 118.650 119.070 -0.024 0.000 2.457 347 H HA 0.336 4.892 4.556 -0.000 0.000 0.335 347 H C -0.458 174.847 175.328 -0.038 0.000 1.115 347 H CA -0.941 55.092 56.048 -0.025 0.000 1.219 347 H CB 0.963 30.712 29.762 -0.020 0.000 1.471 347 H HN -0.141 nan 8.280 nan 0.000 0.491 348 N N 3.110 121.873 118.700 0.105 0.000 2.469 348 N HA -0.000 4.739 4.740 -0.000 0.000 0.239 348 N C 0.714 176.223 175.510 -0.001 0.000 1.053 348 N CA -0.060 53.002 53.050 0.021 0.000 0.937 348 N CB 0.707 39.193 38.487 -0.002 0.000 1.163 348 N HN 0.424 nan 8.380 nan 0.000 0.509 349 V N 4.461 124.365 119.914 -0.016 0.000 2.317 349 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 349 V C 2.544 178.596 176.094 -0.070 0.000 1.065 349 V CA 1.769 64.044 62.300 -0.041 0.000 1.049 349 V CB -0.564 31.239 31.823 -0.034 0.000 0.651 349 V HN 0.704 nan 8.190 nan 0.000 0.450 350 R N -0.411 120.031 120.500 -0.096 0.000 2.133 350 R HA -0.198 4.142 4.340 -0.000 0.000 0.247 350 R C 2.247 178.501 176.300 -0.076 0.000 1.151 350 R CA 1.785 57.803 56.100 -0.136 0.000 0.971 350 R CB -0.319 29.866 30.300 -0.192 0.000 0.866 350 R HN 0.498 nan 8.270 nan 0.000 0.447 351 L N -0.119 121.068 121.223 -0.061 0.000 2.056 351 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 351 L C 2.470 179.290 176.870 -0.084 0.000 1.078 351 L CA 0.754 55.562 54.840 -0.053 0.000 0.749 351 L CB -0.432 41.603 42.059 -0.039 0.000 0.901 351 L HN 0.251 nan 8.230 nan 0.000 0.433 352 I N -0.645 119.863 120.570 -0.103 0.000 2.439 352 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 352 I C 2.187 178.204 176.117 -0.165 0.000 1.139 352 I CA 1.188 62.401 61.300 -0.145 0.000 1.438 352 I CB -0.031 37.884 38.000 -0.143 0.000 1.085 352 I HN -0.133 nan 8.210 nan 0.000 0.427 353 V N 1.233 121.073 119.914 -0.123 0.000 2.343 353 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 353 V C 2.207 178.230 176.094 -0.118 0.000 1.051 353 V CA 2.373 64.599 62.300 -0.123 0.000 1.036 353 V CB -1.137 30.658 31.823 -0.047 0.000 0.654 353 V HN 0.512 nan 8.190 nan 0.000 0.451 354 N N -0.281 118.386 118.700 -0.056 0.000 2.104 354 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 354 N C 1.812 177.251 175.510 -0.118 0.000 1.024 354 N CA 1.265 54.295 53.050 -0.034 0.000 0.853 354 N CB -0.094 38.394 38.487 0.002 0.000 1.008 354 N HN 0.452 nan 8.380 nan 0.000 0.424 355 E N 1.009 121.113 120.200 -0.161 0.000 2.150 355 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 355 E C 2.047 178.462 176.600 -0.309 0.000 0.985 355 E CA 0.597 56.874 56.400 -0.206 0.000 0.814 355 E CB -0.122 29.447 29.700 -0.217 0.000 0.752 355 E HN 0.500 nan 8.360 nan 0.000 0.466 356 I N 0.720 121.041 120.570 -0.414 0.000 2.252 356 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 356 I C 2.383 178.054 176.117 -0.744 0.000 1.102 356 I CA 0.779 61.678 61.300 -0.669 0.000 1.385 356 I CB -0.250 37.289 38.000 -0.768 0.000 1.064 356 I HN 0.043 nan 8.210 nan 0.000 0.414 357 L N 0.639 121.578 121.223 -0.474 0.000 2.093 357 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 357 L C 2.614 179.424 176.870 -0.101 0.000 1.085 357 L CA 1.317 56.010 54.840 -0.244 0.000 0.755 357 L CB -0.613 41.390 42.059 -0.093 0.000 0.904 357 L HN 0.241 nan 8.230 nan 0.000 0.435 358 K N 0.508 120.832 120.400 -0.126 0.000 2.097 358 K HA -0.255 4.065 4.320 -0.000 0.000 0.206 358 K C 2.041 178.618 176.600 -0.038 0.000 1.049 358 K CA 1.622 57.870 56.287 -0.066 0.000 0.933 358 K CB 0.139 32.591 32.500 -0.080 0.000 0.717 358 K HN 0.113 nan 8.250 nan 0.000 0.442 359 E N -0.108 120.033 120.200 -0.099 0.000 2.072 359 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 359 E C 1.531 178.230 176.600 0.165 0.000 0.982 359 E CA 1.340 57.724 56.400 -0.028 0.000 0.803 359 E CB -0.226 29.393 29.700 -0.135 0.000 0.755 359 E HN 0.344 nan 8.360 nan 0.000 0.453 360 W N 1.250 122.560 121.300 0.017 0.000 2.363 360 W HA -0.041 4.619 4.660 -0.000 0.000 0.296 360 W C 1.952 178.485 176.519 0.023 0.000 1.212 360 W CA 1.133 58.512 57.345 0.057 0.000 1.260 360 W CB -0.679 28.826 29.460 0.075 0.000 1.131 360 W HN 0.184 nan 8.180 nan 0.000 0.530 361 K N -0.175 120.360 120.400 0.225 0.000 2.211 361 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 361 K C 2.086 178.735 176.600 0.082 0.000 1.050 361 K CA 1.031 57.387 56.287 0.115 0.000 0.945 361 K CB -0.255 32.285 32.500 0.066 0.000 0.732 361 K HN 0.014 nan 8.250 nan 0.000 0.451 362 R N 1.342 121.893 120.500 0.085 0.000 2.075 362 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 362 R C 2.050 178.393 176.300 0.072 0.000 1.126 362 R CA 1.207 57.343 56.100 0.061 0.000 0.963 362 R CB -0.141 30.190 30.300 0.051 0.000 0.858 362 R HN 0.118 nan 8.270 nan 0.000 0.435 363 I N 0.842 121.477 120.570 0.108 0.000 2.163 363 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 363 I C 2.293 178.451 176.117 0.069 0.000 1.081 363 I CA 1.413 62.774 61.300 0.102 0.000 1.353 363 I CB -0.354 37.735 38.000 0.147 0.000 1.054 363 I HN 0.164 nan 8.210 nan 0.000 0.407 364 K N 0.773 121.211 120.400 0.063 0.000 2.160 364 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 364 K C 2.056 178.668 176.600 0.020 0.000 1.047 364 K CA 1.909 58.212 56.287 0.025 0.000 0.930 364 K CB -0.236 32.270 32.500 0.010 0.000 0.720 364 K HN 0.417 nan 8.250 nan 0.000 0.450 365 S N -0.858 114.858 115.700 0.028 0.000 2.603 365 S HA 0.084 4.554 4.470 -0.000 0.000 0.220 365 S C 1.338 175.949 174.600 0.019 0.000 0.967 365 S CA 0.513 58.723 58.200 0.018 0.000 0.920 365 S CB 0.287 63.497 63.200 0.017 0.000 0.773 365 S HN 0.454 nan 8.310 nan 0.000 0.529 366 G N 1.061 109.877 108.800 0.026 0.000 2.184 366 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 366 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 366 G C 0.264 175.179 174.900 0.025 0.000 0.975 366 G CA 0.381 45.496 45.100 0.025 0.000 0.642 366 G HN 0.523 nan 8.290 nan 0.000 0.536 367 K N 1.098 121.514 120.400 0.026 0.000 3.000 367 K HA 0.458 4.778 4.320 -0.000 0.000 0.265 367 K C 0.813 177.430 176.600 0.028 0.000 1.260 367 K CA 0.259 56.560 56.287 0.023 0.000 1.209 367 K CB -0.696 31.816 32.500 0.020 0.000 1.484 367 K HN 0.737 nan 8.250 nan 0.000 0.283 368 I N -2.616 117.971 120.570 0.030 0.000 2.608 368 I HA 0.495 4.665 4.170 -0.000 0.000 0.295 368 I C 0.064 176.196 176.117 0.025 0.000 1.049 368 I CA -1.160 60.159 61.300 0.033 0.000 1.063 368 I CB 2.224 40.249 38.000 0.043 0.000 1.248 368 I HN 0.015 nan 8.210 nan 0.000 0.424 369 S N 2.065 117.779 115.700 0.024 0.000 2.632 369 S HA 0.238 4.708 4.470 -0.000 0.000 0.267 369 S C 0.380 174.991 174.600 0.017 0.000 1.276 369 S CA -0.356 57.855 58.200 0.019 0.000 0.998 369 S CB 1.395 64.606 63.200 0.018 0.000 0.953 369 S HN 0.704 nan 8.310 nan 0.000 0.547 370 D N 1.475 121.883 120.400 0.013 0.000 2.117 370 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 370 D C 2.227 178.533 176.300 0.010 0.000 0.987 370 D CA 1.780 55.786 54.000 0.010 0.000 0.829 370 D CB -0.919 39.886 40.800 0.008 0.000 0.961 370 D HN 0.702 nan 8.370 nan 0.000 0.460 371 A N 1.508 124.335 122.820 0.013 0.000 1.883 371 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 371 A C 2.049 179.643 177.584 0.017 0.000 1.186 371 A CA 2.092 54.138 52.037 0.014 0.000 0.624 371 A CB -0.714 18.295 19.000 0.016 0.000 0.822 371 A HN 0.482 nan 8.150 nan 0.000 0.444 372 E N -0.399 119.814 120.200 0.021 0.000 2.274 372 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 372 E C 1.649 178.262 176.600 0.022 0.000 0.996 372 E CA 1.160 57.575 56.400 0.027 0.000 0.840 372 E CB -0.417 29.304 29.700 0.036 0.000 0.772 372 E HN 0.314 nan 8.360 nan 0.000 0.491 373 V N 2.048 121.972 119.914 0.015 0.000 2.307 373 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 373 V C 1.887 177.978 176.094 -0.005 0.000 1.045 373 V CA 2.250 64.554 62.300 0.006 0.000 1.024 373 V CB -0.801 31.024 31.823 0.002 0.000 0.651 373 V HN 0.329 nan 8.190 nan 0.000 0.449 374 N N -0.413 118.285 118.700 -0.003 0.000 2.166 374 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 374 N C 2.109 177.615 175.510 -0.007 0.000 1.019 374 N CA 0.989 54.033 53.050 -0.010 0.000 0.856 374 N CB -0.156 38.329 38.487 -0.003 0.000 0.993 374 N HN 0.302 nan 8.380 nan 0.000 0.426 375 R N 1.035 121.538 120.500 0.005 0.000 2.073 375 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 375 R C 2.147 178.451 176.300 0.007 0.000 1.134 375 R CA 1.420 57.526 56.100 0.011 0.000 0.952 375 R CB -0.305 30.007 30.300 0.021 0.000 0.850 375 R HN 0.200 nan 8.270 nan 0.000 0.433 376 A N 1.575 124.400 122.820 0.008 0.000 1.883 376 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 376 A C 2.038 179.612 177.584 -0.017 0.000 1.186 376 A CA 1.676 53.716 52.037 0.004 0.000 0.624 376 A CB -0.353 18.652 19.000 0.008 0.000 0.822 376 A HN 0.334 nan 8.150 nan 0.000 0.444 377 K N -0.302 120.077 120.400 -0.035 0.000 2.097 377 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 377 K C 2.304 178.861 176.600 -0.073 0.000 1.049 377 K CA 1.113 57.358 56.287 -0.069 0.000 0.933 377 K CB -0.357 32.087 32.500 -0.094 0.000 0.717 377 K HN 0.446 nan 8.250 nan 0.000 0.442 378 A N 1.693 124.487 122.820 -0.044 0.000 1.902 378 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 378 A C 2.207 179.786 177.584 -0.007 0.000 1.181 378 A CA 1.417 53.439 52.037 -0.025 0.000 0.623 378 A CB -0.521 18.478 19.000 -0.001 0.000 0.818 378 A HN 0.349 nan 8.150 nan 0.000 0.443 379 Q N -0.915 118.885 119.800 -0.000 0.000 2.061 379 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 379 Q C 2.043 178.049 176.000 0.011 0.000 0.984 379 Q CA 1.816 57.626 55.803 0.012 0.000 0.846 379 Q CB -0.251 28.497 28.738 0.017 0.000 0.902 379 Q HN 0.524 nan 8.270 nan 0.000 0.421 380 L N 1.296 122.519 121.223 -0.001 0.000 2.017 380 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 380 L C 2.043 178.920 176.870 0.011 0.000 1.073 380 L CA 1.932 56.777 54.840 0.008 0.000 0.745 380 L CB -0.436 41.620 42.059 -0.004 0.000 0.894 380 L HN 0.091 nan 8.230 nan 0.000 0.432 381 K N -0.683 119.698 120.400 -0.032 0.000 2.063 381 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 381 K C 2.060 178.684 176.600 0.039 0.000 1.048 381 K CA 1.513 57.780 56.287 -0.033 0.000 0.928 381 K CB -0.420 32.021 32.500 -0.098 0.000 0.713 381 K HN 0.504 nan 8.250 nan 0.000 0.442 382 A N 1.317 124.160 122.820 0.038 0.000 1.898 382 A HA -0.075 4.244 4.320 -0.000 0.000 0.216 382 A C 2.359 179.972 177.584 0.048 0.000 1.181 382 A CA 1.726 53.792 52.037 0.049 0.000 0.620 382 A CB -0.662 18.361 19.000 0.039 0.000 0.819 382 A HN 0.334 nan 8.150 nan 0.000 0.442 383 A N -0.349 122.498 122.820 0.045 0.000 1.933 383 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 383 A C 2.132 179.757 177.584 0.067 0.000 1.175 383 A CA 1.515 53.582 52.037 0.050 0.000 0.628 383 A CB -0.524 18.504 19.000 0.047 0.000 0.814 383 A HN 0.467 nan 8.150 nan 0.000 0.444 384 L N -1.414 119.860 121.223 0.085 0.000 2.209 384 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 384 L C 2.207 179.133 176.870 0.093 0.000 1.094 384 L CA 0.666 55.574 54.840 0.113 0.000 0.790 384 L CB -0.212 41.942 42.059 0.159 0.000 0.932 384 L HN 0.331 nan 8.230 nan 0.000 0.447 385 L N -1.576 119.697 121.223 0.084 0.000 2.445 385 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 385 L C 2.054 178.959 176.870 0.058 0.000 1.053 385 L CA 0.126 55.014 54.840 0.080 0.000 0.841 385 L CB -0.075 42.055 42.059 0.117 0.000 1.074 385 L HN 0.085 nan 8.230 nan 0.000 0.479 386 L N 0.158 121.414 121.223 0.055 0.000 2.465 386 L HA -0.058 4.282 4.340 -0.000 0.000 0.224 386 L C 2.525 179.412 176.870 0.028 0.000 1.145 386 L CA 0.969 55.833 54.840 0.039 0.000 0.834 386 L CB -0.473 41.609 42.059 0.038 0.000 0.944 386 L HN 0.349 nan 8.230 nan 0.000 0.451 387 S N -0.389 115.331 115.700 0.033 0.000 2.470 387 S HA 0.021 4.491 4.470 -0.000 0.000 0.225 387 S C 1.140 175.751 174.600 0.018 0.000 1.006 387 S CA 0.018 58.233 58.200 0.025 0.000 0.934 387 S CB -0.395 62.823 63.200 0.030 0.000 0.778 387 S HN 0.326 nan 8.310 nan 0.000 0.517 388 L N 2.595 123.831 121.223 0.022 0.000 2.388 388 L HA 0.246 4.586 4.340 -0.000 0.000 0.252 388 L C 1.093 177.966 176.870 0.004 0.000 1.357 388 L CA -0.229 54.619 54.840 0.013 0.000 1.214 388 L CB -0.251 41.817 42.059 0.016 0.000 1.392 388 L HN 0.178 nan 8.230 nan 0.000 0.432 389 D N 0.791 121.191 120.400 0.001 0.000 2.652 389 D HA 0.073 4.713 4.640 -0.000 0.000 0.261 389 D C 1.123 177.418 176.300 -0.009 0.000 1.024 389 D CA 0.653 54.650 54.000 -0.004 0.000 0.958 389 D CB 0.459 41.258 40.800 -0.002 0.000 1.113 389 D HN 0.327 nan 8.370 nan 0.000 0.471 390 G N -0.394 108.403 108.800 -0.006 0.000 2.557 390 G HA2 0.322 4.282 3.960 -0.000 0.000 0.292 390 G HA3 0.322 4.282 3.960 -0.000 0.000 0.292 390 G C 1.099 175.998 174.900 -0.002 0.000 1.237 390 G CA 0.481 45.578 45.100 -0.004 0.000 0.978 390 G HN 0.197 nan 8.290 nan 0.000 0.498 391 S N -1.022 114.681 115.700 0.006 0.000 2.382 391 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 391 S C 2.122 176.738 174.600 0.026 0.000 1.027 391 S CA 2.087 60.297 58.200 0.016 0.000 0.991 391 S CB -0.694 62.525 63.200 0.031 0.000 0.823 391 S HN 0.483 nan 8.310 nan 0.000 0.469 392 T N 2.767 117.338 114.554 0.028 0.000 2.684 392 T HA 0.030 4.380 4.350 -0.000 0.000 0.267 392 T C 2.219 176.906 174.700 -0.022 0.000 1.036 392 T CA 1.601 63.707 62.100 0.010 0.000 1.148 392 T CB -0.879 68.003 68.868 0.023 0.000 0.863 392 T HN 0.656 nan 8.240 nan 0.000 0.436 393 A N 0.707 123.518 122.820 -0.014 0.000 1.930 393 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 393 A C 2.276 179.854 177.584 -0.009 0.000 1.175 393 A CA 1.029 53.057 52.037 -0.015 0.000 0.627 393 A CB -0.685 18.310 19.000 -0.008 0.000 0.815 393 A HN 0.534 nan 8.150 nan 0.000 0.443 394 I N -0.802 119.764 120.570 -0.007 0.000 2.252 394 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 394 I C 2.322 178.425 176.117 -0.023 0.000 1.102 394 I CA 0.841 62.133 61.300 -0.014 0.000 1.385 394 I CB -0.267 37.726 38.000 -0.011 0.000 1.064 394 I HN 0.136 nan 8.210 nan 0.000 0.414 395 V N 1.101 121.018 119.914 0.004 0.000 2.343 395 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 395 V C 2.572 178.679 176.094 0.022 0.000 1.051 395 V CA 2.262 64.577 62.300 0.024 0.000 1.036 395 V CB -0.593 31.297 31.823 0.111 0.000 0.654 395 V HN 0.488 nan 8.190 nan 0.000 0.451 396 E N 1.015 121.257 120.200 0.071 0.000 2.070 396 E HA -0.295 4.055 4.350 -0.000 0.000 0.197 396 E C 1.799 178.389 176.600 -0.017 0.000 1.004 396 E CA 2.295 58.774 56.400 0.131 0.000 0.805 396 E CB -0.550 29.180 29.700 0.050 0.000 0.744 396 E HN 0.659 nan 8.360 nan 0.000 0.451 397 D N -0.728 119.634 120.400 -0.062 0.000 2.117 397 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 397 D C 1.980 178.165 176.300 -0.192 0.000 0.982 397 D CA 1.504 55.440 54.000 -0.106 0.000 0.828 397 D CB -0.132 40.635 40.800 -0.054 0.000 0.967 397 D HN 0.358 nan 8.370 nan 0.000 0.464 398 I N 0.297 120.744 120.570 -0.205 0.000 2.099 398 I HA -0.157 4.013 4.170 -0.000 0.000 0.239 398 I C 2.566 178.405 176.117 -0.463 0.000 1.066 398 I CA 1.429 62.572 61.300 -0.261 0.000 1.324 398 I CB -0.799 37.078 38.000 -0.205 0.000 1.037 398 I HN 0.148 nan 8.210 nan 0.000 0.401 399 G N 0.517 108.810 108.800 -0.846 0.000 2.491 399 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 399 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 399 G C 1.812 176.124 174.900 -0.980 0.000 1.180 399 G CA 0.745 44.805 45.100 -1.732 0.000 0.774 399 G HN 0.232 nan 8.290 nan 0.000 0.562 400 R N 0.176 120.346 120.500 -0.550 0.000 2.081 400 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 400 R C 2.672 178.724 176.300 -0.413 0.000 1.131 400 R CA 1.661 57.596 56.100 -0.274 0.000 0.960 400 R CB -0.427 29.756 30.300 -0.196 0.000 0.856 400 R HN 0.477 nan 8.270 nan 0.000 0.436 401 Q N -0.296 119.260 119.800 -0.406 0.000 2.084 401 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 401 Q C 2.179 178.012 176.000 -0.278 0.000 0.978 401 Q CA 1.675 57.256 55.803 -0.370 0.000 0.844 401 Q CB 0.092 28.673 28.738 -0.262 0.000 0.898 401 Q HN 0.201 nan 8.270 nan 0.000 0.426 402 V N -0.016 119.743 119.914 -0.259 0.000 2.323 402 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 402 V C 2.144 178.147 176.094 -0.152 0.000 1.041 402 V CA 1.287 63.474 62.300 -0.187 0.000 1.025 402 V CB -0.300 31.410 31.823 -0.188 0.000 0.656 402 V HN 0.210 nan 8.190 nan 0.000 0.451 403 V N 0.948 120.761 119.914 -0.168 0.000 2.594 403 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 403 V C 2.425 178.489 176.094 -0.050 0.000 1.069 403 V CA 2.618 64.873 62.300 -0.074 0.000 1.082 403 V CB -0.208 31.617 31.823 0.002 0.000 0.680 403 V HN 0.852 nan 8.190 nan 0.000 0.469 404 T N -6.303 108.178 114.554 -0.120 0.000 3.022 404 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 404 T C 1.389 176.057 174.700 -0.054 0.000 1.060 404 T CA 0.937 62.991 62.100 -0.077 0.000 1.013 404 T CB 0.607 69.334 68.868 -0.235 0.000 0.982 404 T HN 0.342 nan 8.240 nan 0.000 0.508 405 T N -0.456 114.037 114.554 -0.102 0.000 2.992 405 T HA 0.479 4.829 4.350 -0.000 0.000 0.255 405 T C 1.442 176.116 174.700 -0.044 0.000 0.938 405 T CA 0.611 62.675 62.100 -0.060 0.000 0.895 405 T CB 0.136 68.937 68.868 -0.112 0.000 1.221 405 T HN 0.634 nan 8.240 nan 0.000 0.512 406 G N 2.601 111.364 108.800 -0.061 0.000 2.175 406 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 406 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 406 G C 0.016 174.885 174.900 -0.052 0.000 0.982 406 G CA 0.701 45.774 45.100 -0.045 0.000 0.641 406 G HN 0.744 nan 8.290 nan 0.000 0.527 407 K N -1.661 118.698 120.400 -0.068 0.000 2.548 407 K HA 0.787 5.107 4.320 -0.000 0.000 0.282 407 K C -1.094 175.455 176.600 -0.084 0.000 1.006 407 K CA -1.352 54.898 56.287 -0.062 0.000 0.892 407 K CB 1.495 33.974 32.500 -0.035 0.000 1.499 407 K HN 0.038 nan 8.250 nan 0.000 0.433 408 R N 2.105 122.562 120.500 -0.072 0.000 2.337 408 R HA 0.353 4.693 4.340 -0.000 0.000 0.319 408 R C -0.941 175.338 176.300 -0.036 0.000 0.954 408 R CA -0.637 55.418 56.100 -0.075 0.000 0.840 408 R CB 0.697 30.945 30.300 -0.086 0.000 1.164 408 R HN 0.703 nan 8.270 nan 0.000 0.472 409 L N 3.306 124.523 121.223 -0.009 0.000 2.410 409 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 409 L C 1.194 178.073 176.870 0.016 0.000 1.152 409 L CA 0.047 54.902 54.840 0.025 0.000 0.855 409 L CB 0.938 43.048 42.059 0.084 0.000 1.129 409 L HN 0.661 nan 8.230 nan 0.000 0.463 410 S N 3.076 118.781 115.700 0.008 0.000 2.608 410 S HA 0.231 4.701 4.470 -0.000 0.000 0.261 410 S C -1.832 172.780 174.600 0.020 0.000 1.314 410 S CA -1.080 57.123 58.200 0.004 0.000 0.992 410 S CB 0.874 64.072 63.200 -0.004 0.000 0.935 410 S HN 0.404 nan 8.310 nan 0.000 0.564 411 P HA -0.081 nan 4.420 nan 0.000 0.215 411 P C 1.117 178.453 177.300 0.060 0.000 1.157 411 P CA 1.326 64.450 63.100 0.040 0.000 0.868 411 P CB -0.038 31.675 31.700 0.022 0.000 0.788 412 E N -0.318 119.898 120.200 0.026 0.000 2.110 412 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 412 E C 1.936 178.575 176.600 0.064 0.000 0.988 412 E CA 1.183 57.599 56.400 0.027 0.000 0.804 412 E CB -0.739 28.948 29.700 -0.021 0.000 0.745 412 E HN 0.428 nan 8.360 nan 0.000 0.458 413 E N -0.016 120.203 120.200 0.031 0.000 2.072 413 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 413 E C 2.100 178.680 176.600 -0.034 0.000 0.985 413 E CA 1.129 57.536 56.400 0.013 0.000 0.801 413 E CB -0.004 29.704 29.700 0.013 0.000 0.750 413 E HN 0.071 nan 8.360 nan 0.000 0.452 414 V N 1.251 121.144 119.914 -0.035 0.000 2.343 414 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 414 V C 2.013 177.980 176.094 -0.212 0.000 1.051 414 V CA 1.746 63.940 62.300 -0.178 0.000 1.036 414 V CB -0.536 31.274 31.823 -0.023 0.000 0.654 414 V HN 0.233 nan 8.190 nan 0.000 0.451 415 F N 1.497 121.354 119.950 -0.156 0.000 2.065 415 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 415 F C 2.474 178.185 175.800 -0.148 0.000 1.112 415 F CA 2.453 60.378 58.000 -0.126 0.000 1.212 415 F CB -0.242 38.714 39.000 -0.074 0.000 0.975 415 F HN 0.170 nan 8.300 nan 0.000 0.476 416 E N 0.191 120.457 120.200 0.111 0.000 2.058 416 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 416 E C 2.127 178.634 176.600 -0.155 0.000 0.997 416 E CA 1.567 57.980 56.400 0.022 0.000 0.801 416 E CB -0.446 29.289 29.700 0.058 0.000 0.746 416 E HN 0.389 nan 8.360 nan 0.000 0.450 417 Q N -0.345 119.295 119.800 -0.268 0.000 2.181 417 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 417 Q C 2.249 178.015 176.000 -0.389 0.000 0.980 417 Q CA 1.228 56.812 55.803 -0.365 0.000 0.862 417 Q CB -0.238 28.061 28.738 -0.732 0.000 0.905 417 Q HN 0.287 nan 8.270 nan 0.000 0.429 418 V N 0.253 119.885 119.914 -0.471 0.000 2.500 418 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 418 V C 1.864 177.774 176.094 -0.306 0.000 1.039 418 V CA 1.516 63.606 62.300 -0.349 0.000 1.053 418 V CB -0.468 31.138 31.823 -0.362 0.000 0.695 418 V HN 0.233 nan 8.190 nan 0.000 0.463 419 D N 1.049 121.198 120.400 -0.419 0.000 2.221 419 D HA -0.231 4.409 4.640 -0.000 0.000 0.204 419 D C 2.099 178.306 176.300 -0.155 0.000 0.982 419 D CA 1.377 55.177 54.000 -0.333 0.000 0.857 419 D CB -0.046 40.543 40.800 -0.352 0.000 0.934 419 D HN 0.612 nan 8.370 nan 0.000 0.475 420 K N -0.051 120.277 120.400 -0.121 0.000 2.459 420 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 420 K C 0.583 177.153 176.600 -0.050 0.000 1.030 420 K CA -0.036 56.214 56.287 -0.062 0.000 1.026 420 K CB -0.004 32.472 32.500 -0.040 0.000 0.809 420 K HN 0.163 nan 8.250 nan 0.000 0.504 421 I N 3.574 124.103 120.570 -0.067 0.000 2.710 421 I HA -0.074 4.096 4.170 -0.000 0.000 0.286 421 I C 0.622 176.718 176.117 -0.035 0.000 1.181 421 I CA 0.204 61.477 61.300 -0.045 0.000 1.430 421 I CB 0.719 38.686 38.000 -0.055 0.000 1.367 421 I HN 0.291 nan 8.210 nan 0.000 0.577 422 T N 1.945 116.487 114.554 -0.019 0.000 2.942 422 T HA 0.278 4.628 4.350 -0.000 0.000 0.289 422 T C 0.725 175.422 174.700 -0.005 0.000 1.044 422 T CA -0.989 61.104 62.100 -0.011 0.000 1.023 422 T CB 2.140 71.006 68.868 -0.004 0.000 1.123 422 T HN 0.644 nan 8.240 nan 0.000 0.512 423 K N 0.239 120.639 120.400 0.000 0.000 2.063 423 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 423 K C 1.515 178.124 176.600 0.015 0.000 1.048 423 K CA 2.205 58.496 56.287 0.008 0.000 0.928 423 K CB -0.469 32.037 32.500 0.010 0.000 0.713 423 K HN 0.726 nan 8.250 nan 0.000 0.442 424 D N 0.714 121.122 120.400 0.012 0.000 2.117 424 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 424 D C 1.501 177.817 176.300 0.026 0.000 0.987 424 D CA 1.340 55.350 54.000 0.017 0.000 0.829 424 D CB -0.014 40.792 40.800 0.011 0.000 0.961 424 D HN 0.225 nan 8.370 nan 0.000 0.460 425 D N -0.130 120.284 120.400 0.022 0.000 2.116 425 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 425 D C 2.278 178.617 176.300 0.065 0.000 0.998 425 D CA 0.745 54.767 54.000 0.036 0.000 0.836 425 D CB -0.263 40.547 40.800 0.016 0.000 0.951 425 D HN 0.357 nan 8.370 nan 0.000 0.449 426 I N 0.837 121.430 120.570 0.037 0.000 2.142 426 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 426 I C 2.519 178.698 176.117 0.103 0.000 1.078 426 I CA 0.788 62.119 61.300 0.051 0.000 1.343 426 I CB -0.192 37.816 38.000 0.014 0.000 1.046 426 I HN -0.050 nan 8.210 nan 0.000 0.405 427 I N 0.025 120.635 120.570 0.067 0.000 2.208 427 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 427 I C 2.651 178.801 176.117 0.055 0.000 1.097 427 I CA 1.294 62.627 61.300 0.056 0.000 1.363 427 I CB -0.355 37.665 38.000 0.034 0.000 1.051 427 I HN 0.248 nan 8.210 nan 0.000 0.413 428 M N -0.756 118.880 119.600 0.060 0.000 2.080 428 M HA -0.269 4.211 4.480 -0.000 0.000 0.260 428 M C 2.309 178.653 176.300 0.073 0.000 1.068 428 M CA 2.009 57.337 55.300 0.047 0.000 1.109 428 M CB -1.226 31.398 32.600 0.040 0.000 1.342 428 M HN 0.459 nan 8.290 nan 0.000 0.405 429 W N 1.021 122.275 121.300 -0.077 0.000 2.363 429 W HA -0.132 4.528 4.660 -0.000 0.000 0.296 429 W C 2.457 178.868 176.519 -0.179 0.000 1.212 429 W CA 2.310 59.593 57.345 -0.105 0.000 1.260 429 W CB -0.148 29.222 29.460 -0.149 0.000 1.131 429 W HN 0.244 nan 8.180 nan 0.000 0.530 430 A N 0.170 123.038 122.820 0.079 0.000 1.929 430 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 430 A C 1.854 179.270 177.584 -0.280 0.000 1.176 430 A CA 1.646 53.585 52.037 -0.163 0.000 0.628 430 A CB -0.895 18.101 19.000 -0.007 0.000 0.816 430 A HN 0.394 nan 8.150 nan 0.000 0.444 431 N N -1.767 116.843 118.700 -0.150 0.000 2.396 431 N HA -0.118 4.622 4.740 -0.000 0.000 0.180 431 N C 1.449 176.856 175.510 -0.171 0.000 1.028 431 N CA 1.369 54.339 53.050 -0.133 0.000 0.893 431 N CB -0.221 38.231 38.487 -0.057 0.000 0.967 431 N HN 0.706 nan 8.380 nan 0.000 0.440 432 Y N 1.556 121.636 120.300 -0.367 0.000 2.301 432 Y HA 0.127 4.677 4.550 -0.000 0.000 0.295 432 Y C 1.998 177.573 175.900 -0.543 0.000 1.119 432 Y CA 1.080 58.942 58.100 -0.397 0.000 1.162 432 Y CB 0.099 38.326 38.460 -0.388 0.000 1.046 432 Y HN -0.179 nan 8.280 nan 0.000 0.538 433 R N 0.214 120.120 120.500 -0.990 0.000 2.210 433 R HA 0.192 4.532 4.340 -0.000 0.000 0.203 433 R C 0.965 176.723 176.300 -0.904 0.000 1.010 433 R CA 0.726 56.105 56.100 -1.202 0.000 1.008 433 R CB -0.093 29.106 30.300 -1.835 0.000 0.923 433 R HN 0.395 nan 8.270 nan 0.000 0.469 434 L N 0.409 121.205 121.223 -0.710 0.000 3.066 434 L HA 0.303 4.643 4.340 -0.000 0.000 0.265 434 L C -0.121 176.577 176.870 -0.287 0.000 1.232 434 L CA -0.242 54.304 54.840 -0.490 0.000 1.031 434 L CB 0.385 42.148 42.059 -0.493 0.000 1.379 434 L HN -0.129 nan 8.230 nan 0.000 0.563 435 Q N 1.167 120.784 119.800 -0.305 0.000 2.304 435 Q HA 0.340 4.680 4.340 -0.000 0.000 0.270 435 Q C -0.294 175.577 176.000 -0.214 0.000 1.035 435 Q CA -0.310 55.374 55.803 -0.200 0.000 0.781 435 Q CB 1.058 29.701 28.738 -0.159 0.000 1.261 435 Q HN 0.149 nan 8.270 nan 0.000 0.444 436 N N 2.743 121.350 118.700 -0.156 0.000 2.725 436 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 436 N C -1.193 174.204 175.510 -0.188 0.000 1.031 436 N CA 0.987 53.953 53.050 -0.140 0.000 0.720 436 N CB -0.423 37.995 38.487 -0.115 0.000 0.930 436 N HN 0.556 nan 8.380 nan 0.000 0.543 437 K N 0.135 120.402 120.400 -0.220 0.000 2.385 437 K HA 0.516 4.836 4.320 -0.000 0.000 0.248 437 K C -2.280 174.195 176.600 -0.208 0.000 0.955 437 K CA -1.429 54.689 56.287 -0.282 0.000 0.816 437 K CB 2.334 34.569 32.500 -0.442 0.000 1.250 437 K HN -0.083 nan 8.250 nan 0.000 0.434 438 P HA 0.122 nan 4.420 nan 0.000 0.275 438 P C -0.500 176.785 177.300 -0.025 0.000 1.228 438 P CA -0.404 62.666 63.100 -0.051 0.000 0.786 438 P CB 0.973 32.712 31.700 0.065 0.000 0.927 439 V N 0.428 120.441 119.914 0.166 0.000 2.789 439 V HA 0.762 4.882 4.120 -0.000 0.000 0.311 439 V C -0.566 175.711 176.094 0.304 0.000 1.073 439 V CA -0.628 61.830 62.300 0.263 0.000 0.921 439 V CB 1.965 33.897 31.823 0.181 0.000 1.009 439 V HN 0.780 nan 8.190 nan 0.000 0.426 440 S N 6.695 122.590 115.700 0.325 0.000 2.566 440 S HA 0.873 5.343 4.470 -0.000 0.000 0.298 440 S C -0.660 173.997 174.600 0.095 0.000 1.083 440 S CA -0.778 57.478 58.200 0.093 0.000 0.978 440 S CB 1.988 65.103 63.200 -0.141 0.000 1.073 440 S HN 1.399 nan 8.310 nan 0.000 0.491 441 M N 2.483 122.081 119.600 -0.003 0.000 2.470 441 M HA 0.581 5.061 4.480 -0.000 0.000 0.285 441 M C -2.369 173.852 176.300 -0.132 0.000 1.213 441 M CA -0.617 54.671 55.300 -0.020 0.000 0.901 441 M CB 2.138 34.727 32.600 -0.020 0.000 1.718 441 M HN 0.679 nan 8.290 nan 0.000 0.469 442 V N 2.815 122.674 119.914 -0.092 0.000 2.656 442 V HA 0.909 5.029 4.120 -0.000 0.000 0.307 442 V C -0.688 175.350 176.094 -0.095 0.000 1.051 442 V CA -0.645 61.577 62.300 -0.130 0.000 0.893 442 V CB 1.750 33.528 31.823 -0.075 0.000 0.999 442 V HN 0.949 nan 8.190 nan 0.000 0.426 443 A N 4.624 127.387 122.820 -0.095 0.000 2.374 443 A HA 0.918 5.238 4.320 -0.000 0.000 0.305 443 A C -1.544 176.057 177.584 0.028 0.000 1.053 443 A CA -0.499 51.554 52.037 0.027 0.000 0.726 443 A CB 1.586 20.691 19.000 0.174 0.000 1.229 443 A HN 0.959 nan 8.150 nan 0.000 0.431 444 L N 2.692 123.929 121.223 0.022 0.000 2.376 444 L HA 0.849 5.189 4.340 -0.000 0.000 0.275 444 L C 0.350 177.213 176.870 -0.011 0.000 0.987 444 L CA 1.392 56.215 54.840 -0.027 0.000 0.828 444 L CB 1.461 43.461 42.059 -0.099 0.000 1.249 444 L HN 1.973 nan 8.230 nan 0.000 0.409 445 G N 3.801 112.579 108.800 -0.037 0.000 2.250 445 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.189 445 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.189 445 G C -0.904 173.979 174.900 -0.028 0.000 1.298 445 G CA -0.228 44.843 45.100 -0.048 0.000 1.246 445 G HN 0.850 nan 8.290 nan 0.000 0.513 446 N N 1.425 120.108 118.700 -0.029 0.000 2.549 446 N HA 0.297 5.037 4.740 -0.000 0.000 0.267 446 N C 1.308 176.801 175.510 -0.027 0.000 1.182 446 N CA 1.077 54.108 53.050 -0.032 0.000 1.019 446 N CB 0.625 39.091 38.487 -0.035 0.000 1.380 446 N HN 0.611 nan 8.380 nan 0.000 0.505 447 T N 0.606 115.144 114.554 -0.026 0.000 3.072 447 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 447 T C 1.745 176.363 174.700 -0.137 0.000 1.127 447 T CA 1.508 63.587 62.100 -0.035 0.000 1.107 447 T CB -0.064 68.800 68.868 -0.006 0.000 0.910 447 T HN 0.608 nan 8.240 nan 0.000 0.513 448 S N -0.346 115.285 115.700 -0.116 0.000 2.419 448 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 448 S C 2.101 176.619 174.600 -0.136 0.000 1.016 448 S CA 1.729 59.847 58.200 -0.136 0.000 0.974 448 S CB -0.810 62.333 63.200 -0.095 0.000 0.786 448 S HN 0.515 nan 8.310 nan 0.000 0.492 449 T N 0.747 115.238 114.554 -0.104 0.000 3.060 449 T HA 0.284 4.634 4.350 -0.000 0.000 0.249 449 T C 0.249 174.885 174.700 -0.107 0.000 1.079 449 T CA -0.151 61.891 62.100 -0.096 0.000 1.013 449 T CB -0.342 68.491 68.868 -0.058 0.000 0.975 449 T HN 0.195 nan 8.240 nan 0.000 0.518 450 V N 5.682 125.540 119.914 -0.092 0.000 2.479 450 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 450 V C -1.762 174.296 176.094 -0.061 0.000 1.031 450 V CA -1.637 60.649 62.300 -0.023 0.000 1.038 450 V CB 0.660 32.574 31.823 0.151 0.000 0.981 450 V HN 0.430 nan 8.190 nan 0.000 0.478 451 P HA 0.091 nan 4.420 nan 0.000 0.274 451 P C -0.228 177.133 177.300 0.103 0.000 1.237 451 P CA -0.519 62.458 63.100 -0.206 0.000 0.793 451 P CB 0.686 32.017 31.700 -0.616 0.000 0.977 452 N N 0.503 119.279 118.700 0.126 0.000 2.453 452 N HA -0.017 4.723 4.740 -0.000 0.000 0.253 452 N C 1.324 176.997 175.510 0.272 0.000 1.252 452 N CA -0.070 53.153 53.050 0.287 0.000 0.917 452 N CB 0.894 39.511 38.487 0.218 0.000 1.117 452 N HN 0.002 nan 8.380 nan 0.000 0.442 453 V N 2.040 122.082 119.914 0.214 0.000 2.343 453 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 453 V C 2.323 178.512 176.094 0.158 0.000 1.051 453 V CA 2.312 64.706 62.300 0.156 0.000 1.036 453 V CB -0.650 31.230 31.823 0.094 0.000 0.654 453 V HN 0.874 nan 8.190 nan 0.000 0.451 454 S N -0.992 114.798 115.700 0.150 0.000 2.453 454 S HA -0.223 4.247 4.470 -0.000 0.000 0.231 454 S C 1.923 176.595 174.600 0.120 0.000 1.005 454 S CA 1.350 59.617 58.200 0.111 0.000 0.949 454 S CB -0.673 62.581 63.200 0.091 0.000 0.774 454 S HN 0.672 nan 8.310 nan 0.000 0.510 455 Y N 2.355 122.689 120.300 0.057 0.000 2.163 455 Y HA 0.036 4.586 4.550 0.000 0.000 0.288 455 Y C 1.919 177.844 175.900 0.041 0.000 1.136 455 Y CA 1.260 59.386 58.100 0.044 0.000 1.147 455 Y CB -0.479 38.009 38.460 0.047 0.000 0.987 455 Y HN 0.210 nan 8.280 nan 0.000 0.509 456 I N 0.482 121.242 120.570 0.315 0.000 2.127 456 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 456 I C 2.306 178.466 176.117 0.073 0.000 1.075 456 I CA 1.994 63.420 61.300 0.209 0.000 1.334 456 I CB -0.502 37.631 38.000 0.221 0.000 1.040 456 I HN 0.347 nan 8.210 nan 0.000 0.405 457 E N 0.430 120.670 120.200 0.067 0.000 2.085 457 E HA -0.302 4.047 4.350 -0.000 0.000 0.194 457 E C 2.053 178.636 176.600 -0.028 0.000 0.994 457 E CA 1.486 57.902 56.400 0.026 0.000 0.801 457 E CB -0.205 29.511 29.700 0.026 0.000 0.743 457 E HN 0.515 nan 8.360 nan 0.000 0.453 458 E N 1.114 121.273 120.200 -0.069 0.000 2.038 458 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 458 E C 1.930 178.442 176.600 -0.147 0.000 1.000 458 E CA 1.223 57.553 56.400 -0.116 0.000 0.803 458 E CB 0.210 29.811 29.700 -0.164 0.000 0.750 458 E HN -0.036 nan 8.360 nan 0.000 0.448 459 K N 0.392 120.654 120.400 -0.229 0.000 2.097 459 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 459 K C 2.209 178.766 176.600 -0.073 0.000 1.049 459 K CA 0.649 56.823 56.287 -0.189 0.000 0.933 459 K CB -0.582 31.769 32.500 -0.249 0.000 0.717 459 K HN 0.218 nan 8.250 nan 0.000 0.442 460 L N 2.171 123.381 121.223 -0.023 0.000 2.005 460 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 460 L C 1.440 178.315 176.870 0.008 0.000 1.072 460 L CA 1.820 56.685 54.840 0.042 0.000 0.744 460 L CB -0.724 41.399 42.059 0.108 0.000 0.895 460 L HN 0.111 nan 8.230 nan 0.000 0.433 461 N N -0.449 118.238 118.700 -0.022 0.000 2.409 461 N HA -0.092 4.648 4.740 -0.000 0.000 0.179 461 N C 0.856 176.342 175.510 -0.040 0.000 1.032 461 N CA 0.216 53.243 53.050 -0.039 0.000 0.898 461 N CB -0.187 38.270 38.487 -0.050 0.000 0.971 461 N HN 0.562 nan 8.380 nan 0.000 0.441 462 Q N 0.000 119.773 119.800 -0.045 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 462 Q CB 0.000 28.699 28.738 -0.065 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481