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 3cj0_1_B DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQP DATA SEQUENCE EXXGRKPARL IVFPDLGVRV CEKMALYDVV STLPQVVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNTWK SKKNPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIKSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE SAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VKTKLKLTPI PAASRLDLSG DATA SEQUENCE WFVAGYSGGD IYHS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.117 175.328 -0.352 0.000 0.993 0 H CA 0.000 55.951 56.048 -0.161 0.000 1.023 0 H CB 0.000 29.709 29.762 -0.089 0.000 1.292 1 H N 3.481 122.543 119.070 -0.014 0.000 2.317 1 H HA 0.383 4.939 4.556 0.000 0.000 0.231 1 H C 0.209 175.509 175.328 -0.047 0.000 1.442 1 H CA -0.710 55.319 56.048 -0.032 0.000 1.336 1 H CB 0.154 29.902 29.762 -0.023 0.000 1.533 1 H HN 0.611 nan 8.280 nan 0.000 0.522 2 M N 1.053 120.647 119.600 -0.011 0.000 2.217 2 M HA 0.059 4.539 4.480 0.000 0.000 0.354 2 M C 1.604 177.812 176.300 -0.153 0.000 1.225 2 M CA 0.075 55.343 55.300 -0.054 0.000 1.137 2 M CB 1.106 33.678 32.600 -0.046 0.000 1.576 2 M HN 0.551 nan 8.290 nan 0.000 0.461 3 S N 2.820 118.361 115.700 -0.264 0.000 2.370 3 S HA -0.102 4.368 4.470 0.000 0.000 0.226 3 S C 0.166 174.381 174.600 -0.643 0.000 1.033 3 S CA 1.018 58.946 58.200 -0.454 0.000 1.011 3 S CB -0.215 62.634 63.200 -0.585 0.000 0.852 3 S HN 0.652 nan 8.310 nan 0.000 0.457 4 Y N 0.723 120.838 120.300 -0.309 0.000 2.562 4 Y HA 0.554 5.104 4.550 0.000 0.000 0.345 4 Y C -0.041 175.540 175.900 -0.533 0.000 1.045 4 Y CA -0.883 56.899 58.100 -0.529 0.000 1.028 4 Y CB 2.015 39.931 38.460 -0.906 0.000 1.297 4 Y HN 0.133 nan 8.280 nan 0.000 0.463 5 T N -2.309 112.003 114.554 -0.403 0.000 2.887 5 T HA 0.693 5.043 4.350 0.000 0.000 0.288 5 T C -1.293 173.170 174.700 -0.395 0.000 1.021 5 T CA -0.785 61.137 62.100 -0.296 0.000 1.000 5 T CB 1.194 70.000 68.868 -0.102 0.000 1.034 5 T HN 0.559 nan 8.240 nan 0.000 0.467 6 W N 0.898 122.251 121.300 0.088 0.000 2.736 6 W HA 0.461 5.121 4.660 0.000 0.000 0.335 6 W C 1.419 177.965 176.519 0.044 0.000 1.059 6 W CA -0.845 56.536 57.345 0.061 0.000 1.226 6 W CB 2.231 31.709 29.460 0.030 0.000 1.416 6 W HN 0.918 nan 8.180 nan 0.000 0.505 7 T N -2.157 112.580 114.554 0.306 0.000 3.054 7 T HA 0.275 4.625 4.350 0.000 0.000 0.259 7 T C 1.503 176.285 174.700 0.137 0.000 1.092 7 T CA 0.964 63.169 62.100 0.174 0.000 1.121 7 T CB 0.002 68.950 68.868 0.134 0.000 0.912 7 T HN 1.200 nan 8.240 nan 0.000 0.489 8 G N 1.358 110.242 108.800 0.141 0.000 2.232 8 G HA2 -0.011 3.950 3.960 0.000 0.000 0.226 8 G HA3 -0.011 3.950 3.960 0.000 0.000 0.226 8 G C 0.382 175.300 174.900 0.030 0.000 0.996 8 G CA -0.117 45.018 45.100 0.059 0.000 0.626 8 G HN 1.153 nan 8.290 nan 0.000 0.509 9 A N 0.731 123.583 122.820 0.054 0.000 2.498 9 A HA 0.621 4.941 4.320 0.000 0.000 0.239 9 A C 0.813 178.398 177.584 0.001 0.000 1.068 9 A CA 0.266 52.322 52.037 0.032 0.000 0.766 9 A CB 0.192 19.222 19.000 0.049 0.000 1.003 9 A HN 0.931 nan 8.150 nan 0.000 0.497 10 L N 1.741 122.954 121.223 -0.017 0.000 2.436 10 L HA 0.219 4.559 4.340 0.000 0.000 0.265 10 L C 0.140 176.988 176.870 -0.036 0.000 1.168 10 L CA -0.144 54.669 54.840 -0.046 0.000 0.815 10 L CB 0.578 42.617 42.059 -0.034 0.000 1.109 10 L HN 0.560 nan 8.230 nan 0.000 0.462 11 I N 1.535 122.066 120.570 -0.066 0.000 2.379 11 I HA 0.100 4.270 4.170 0.000 0.000 0.290 11 I C 0.472 176.579 176.117 -0.017 0.000 1.063 11 I CA 0.012 61.290 61.300 -0.036 0.000 1.351 11 I CB 0.688 38.652 38.000 -0.060 0.000 1.410 11 I HN 0.636 nan 8.210 nan 0.000 0.505 12 T N 4.933 119.488 114.554 0.002 0.000 2.925 12 T HA 0.611 4.961 4.350 0.000 0.000 0.285 12 T C -2.448 172.265 174.700 0.022 0.000 1.021 12 T CA -2.022 60.083 62.100 0.009 0.000 1.042 12 T CB 1.887 70.760 68.868 0.008 0.000 1.037 12 T HN 0.261 nan 8.240 nan 0.000 0.481 13 P HA 0.351 nan 4.420 nan 0.000 0.279 13 P C 0.061 177.382 177.300 0.034 0.000 1.276 13 P CA -0.685 62.435 63.100 0.034 0.000 0.801 13 P CB 0.919 32.638 31.700 0.032 0.000 1.127 14 C N -0.423 118.900 119.300 0.040 0.000 2.558 14 C HA 0.514 4.974 4.460 0.000 0.000 0.288 14 C C 1.310 176.317 174.990 0.028 0.000 1.338 14 C CA 0.845 59.885 59.018 0.035 0.000 1.760 14 C CB -0.527 27.239 27.740 0.043 0.000 2.159 14 C HN 0.685 nan 8.230 nan 0.000 0.518 15 A N -0.245 122.594 122.820 0.031 0.000 2.524 15 A HA 0.784 5.104 4.320 0.000 0.000 0.286 15 A C -0.740 176.866 177.584 0.037 0.000 1.203 15 A CA 0.073 52.128 52.037 0.031 0.000 0.736 15 A CB -0.017 19.002 19.000 0.031 0.000 1.322 15 A HN 0.478 nan 8.150 nan 0.000 0.424 16 A N 0.295 123.138 122.820 0.039 0.000 2.524 16 A HA 0.480 4.800 4.320 0.000 0.000 0.250 16 A C 0.031 177.652 177.584 0.063 0.000 1.078 16 A CA 0.395 52.460 52.037 0.047 0.000 0.761 16 A CB -0.473 18.553 19.000 0.044 0.000 1.012 16 A HN 0.642 nan 8.150 nan 0.000 0.500 17 E N 1.602 121.844 120.200 0.070 0.000 2.191 17 E HA 0.401 4.751 4.350 0.000 0.000 0.274 17 E C -0.778 175.897 176.600 0.126 0.000 0.948 17 E CA -0.457 55.999 56.400 0.093 0.000 0.802 17 E CB 1.584 31.330 29.700 0.076 0.000 1.137 17 E HN 0.752 nan 8.360 nan 0.000 0.397 18 E N 0.660 120.978 120.200 0.197 0.000 2.183 18 E HA 0.175 4.525 4.350 0.000 0.000 0.271 18 E C -0.065 176.752 176.600 0.362 0.000 0.919 18 E CA -0.237 56.319 56.400 0.260 0.000 0.781 18 E CB 1.591 31.475 29.700 0.305 0.000 1.140 18 E HN 0.552 nan 8.360 nan 0.000 0.402 19 S N 0.826 116.714 115.700 0.312 0.000 2.527 19 S HA 0.095 4.565 4.470 0.000 0.000 0.227 19 S C 1.071 175.944 174.600 0.455 0.000 1.059 19 S CA -0.328 58.080 58.200 0.348 0.000 0.919 19 S CB -0.063 63.278 63.200 0.236 0.000 0.805 19 S HN 0.382 nan 8.310 nan 0.000 0.500 20 K N 1.912 122.500 120.400 0.314 0.000 2.218 20 K HA 0.630 4.950 4.320 0.000 0.000 0.276 20 K C -0.341 176.320 176.600 0.101 0.000 1.022 20 K CA -0.771 55.652 56.287 0.226 0.000 0.946 20 K CB -0.291 32.279 32.500 0.115 0.000 1.000 20 K HN 0.375 nan 8.250 nan 0.000 0.468 21 L N 4.022 125.299 121.223 0.089 0.000 2.615 21 L HA 0.184 4.524 4.340 0.000 0.000 0.271 21 L C -2.200 174.436 176.870 -0.390 0.000 1.183 21 L CA -1.340 53.377 54.840 -0.205 0.000 0.933 21 L CB 0.129 42.206 42.059 0.029 0.000 1.199 21 L HN 0.543 nan 8.230 nan 0.000 0.487 22 P HA 0.207 nan 4.420 nan 0.000 0.271 22 P C -0.979 176.089 177.300 -0.387 0.000 1.216 22 P CA -0.040 62.768 63.100 -0.486 0.000 0.776 22 P CB 0.571 31.915 31.700 -0.595 0.000 0.881 23 I N 2.969 123.367 120.570 -0.287 0.000 2.465 23 I HA 0.340 4.510 4.170 0.000 0.000 0.291 23 I C 0.437 176.439 176.117 -0.192 0.000 1.014 23 I CA -0.688 60.445 61.300 -0.280 0.000 1.093 23 I CB 1.447 39.264 38.000 -0.305 0.000 1.267 23 I HN 0.468 nan 8.210 nan 0.000 0.431 24 N N 4.518 123.119 118.700 -0.165 0.000 3.201 24 N HA 0.464 5.205 4.740 0.000 0.000 0.344 24 N C 0.508 175.968 175.510 -0.083 0.000 1.465 24 N CA -0.431 52.552 53.050 -0.112 0.000 0.731 24 N CB 0.487 38.911 38.487 -0.105 0.000 1.677 24 N HN 0.391 nan 8.380 nan 0.000 0.631 25 A N -0.706 122.078 122.820 -0.060 0.000 2.119 25 A HA 0.147 4.467 4.320 0.000 0.000 0.217 25 A C 1.750 179.315 177.584 -0.032 0.000 1.153 25 A CA 0.759 52.772 52.037 -0.041 0.000 0.692 25 A CB -0.915 18.064 19.000 -0.035 0.000 0.799 25 A HN 0.540 nan 8.150 nan 0.000 0.458 26 L N -1.329 119.872 121.223 -0.037 0.000 2.513 26 L HA 0.045 4.385 4.340 0.000 0.000 0.222 26 L C 2.409 179.301 176.870 0.036 0.000 1.096 26 L CA 0.434 55.268 54.840 -0.010 0.000 0.857 26 L CB -0.183 41.847 42.059 -0.047 0.000 1.026 26 L HN 0.198 nan 8.230 nan 0.000 0.469 27 S N 0.742 116.435 115.700 -0.012 0.000 2.353 27 S HA -0.152 4.318 4.470 0.000 0.000 0.222 27 S C 1.710 176.351 174.600 0.068 0.000 1.035 27 S CA 1.549 59.737 58.200 -0.020 0.000 1.025 27 S CB -0.267 62.830 63.200 -0.172 0.000 0.902 27 S HN 0.461 nan 8.310 nan 0.000 0.440 28 N N 1.469 120.224 118.700 0.091 0.000 2.364 28 N HA -0.052 4.688 4.740 0.000 0.000 0.183 28 N C 1.855 177.404 175.510 0.065 0.000 1.022 28 N CA 1.185 54.317 53.050 0.137 0.000 0.883 28 N CB -0.471 38.082 38.487 0.109 0.000 0.965 28 N HN 0.577 nan 8.380 nan 0.000 0.438 29 S N -0.429 115.301 115.700 0.050 0.000 2.453 29 S HA -0.017 4.454 4.470 0.000 0.000 0.231 29 S C 1.783 176.411 174.600 0.046 0.000 1.005 29 S CA 0.322 58.530 58.200 0.013 0.000 0.949 29 S CB -0.132 63.086 63.200 0.029 0.000 0.774 29 S HN 0.205 nan 8.310 nan 0.000 0.510 30 L N 0.819 122.085 121.223 0.072 0.000 2.200 30 L HA 0.566 4.906 4.340 0.000 0.000 0.200 30 L C 0.132 177.062 176.870 0.101 0.000 1.072 30 L CA 0.883 55.753 54.840 0.050 0.000 0.787 30 L CB 0.021 41.873 42.059 -0.344 0.000 0.957 30 L HN 0.639 nan 8.230 nan 0.000 0.459 31 L N -4.863 116.410 121.223 0.083 0.000 2.505 31 L HA 0.726 5.066 4.340 0.000 0.000 0.259 31 L C 0.220 177.140 176.870 0.084 0.000 0.952 31 L CA -0.238 54.641 54.840 0.065 0.000 0.840 31 L CB 1.625 43.729 42.059 0.074 0.000 1.358 31 L HN -0.180 nan 8.230 nan 0.000 0.409 32 R N 0.540 120.984 120.500 -0.093 0.000 2.254 32 R HA 0.272 4.612 4.340 0.000 0.000 0.193 32 R C 0.565 176.654 176.300 -0.351 0.000 0.929 32 R CA 1.044 57.013 56.100 -0.218 0.000 1.038 32 R CB -1.038 29.201 30.300 -0.102 0.000 1.009 32 R HN 0.872 nan 8.270 nan 0.000 0.512 33 H N 0.530 119.469 119.070 -0.218 0.000 2.745 33 H HA 0.218 4.774 4.556 0.000 0.000 0.235 33 H C 0.198 175.493 175.328 -0.054 0.000 1.815 33 H CA -0.485 55.471 56.048 -0.154 0.000 1.321 33 H CB 0.042 29.779 29.762 -0.041 0.000 1.716 33 H HN 0.654 nan 8.280 nan 0.000 0.546 34 H N 0.674 119.837 119.070 0.155 0.000 2.456 34 H HA -0.152 4.404 4.556 0.000 0.000 0.296 34 H C 1.900 177.303 175.328 0.125 0.000 1.079 34 H CA 1.066 57.181 56.048 0.111 0.000 1.322 34 H CB 0.308 30.109 29.762 0.064 0.000 1.388 34 H HN 0.602 nan 8.280 nan 0.000 0.538 35 N N 1.061 119.879 118.700 0.196 0.000 2.494 35 N HA -0.103 4.637 4.740 0.000 0.000 0.182 35 N C 1.294 176.907 175.510 0.171 0.000 1.076 35 N CA 0.756 53.901 53.050 0.158 0.000 0.908 35 N CB -0.328 38.214 38.487 0.091 0.000 0.967 35 N HN 0.404 nan 8.380 nan 0.000 0.449 36 M N -0.122 119.590 119.600 0.187 0.000 2.476 36 M HA 0.084 4.564 4.480 0.000 0.000 0.262 36 M C -0.158 176.313 176.300 0.285 0.000 1.079 36 M CA 0.413 55.837 55.300 0.207 0.000 1.104 36 M CB 0.319 33.033 32.600 0.189 0.000 1.409 36 M HN -0.091 nan 8.290 nan 0.000 0.467 37 V N 0.811 120.902 119.914 0.296 0.000 2.435 37 V HA 0.378 4.498 4.120 0.000 0.000 0.290 37 V C -0.866 175.475 176.094 0.411 0.000 1.030 37 V CA -0.799 61.685 62.300 0.306 0.000 0.881 37 V CB 1.069 33.052 31.823 0.266 0.000 0.983 37 V HN 0.307 nan 8.190 nan 0.000 0.445 38 Y N 2.460 122.910 120.300 0.250 0.000 2.597 38 Y HA 0.914 5.464 4.550 0.000 0.000 0.340 38 Y C -0.460 175.504 175.900 0.107 0.000 1.097 38 Y CA -1.424 56.826 58.100 0.249 0.000 1.037 38 Y CB 1.536 40.107 38.460 0.184 0.000 1.305 38 Y HN 0.707 nan 8.280 nan 0.000 0.463 39 A N 1.681 124.538 122.820 0.062 0.000 2.337 39 A HA 0.666 4.986 4.320 0.000 0.000 0.329 39 A C -0.008 177.614 177.584 0.064 0.000 1.146 39 A CA -0.358 51.500 52.037 -0.299 0.000 0.800 39 A CB 0.384 18.952 19.000 -0.719 0.000 1.220 39 A HN 1.088 nan 8.150 nan 0.000 0.472 40 T N 0.164 114.744 114.554 0.043 0.000 2.926 40 T HA 0.535 4.885 4.350 0.000 0.000 0.307 40 T C 0.384 175.128 174.700 0.074 0.000 1.059 40 T CA 0.439 62.641 62.100 0.170 0.000 1.122 40 T CB 0.623 69.621 68.868 0.218 0.000 0.972 40 T HN 1.493 nan 8.240 nan 0.000 0.545 41 T N -1.955 112.654 114.554 0.092 0.000 2.812 41 T HA 0.479 4.829 4.350 0.000 0.000 0.294 41 T C 1.357 176.087 174.700 0.050 0.000 1.159 41 T CA -0.248 61.889 62.100 0.062 0.000 1.008 41 T CB 1.199 70.110 68.868 0.072 0.000 1.289 41 T HN 0.783 nan 8.240 nan 0.000 0.514 42 S N -0.307 115.415 115.700 0.036 0.000 2.465 42 S HA -0.102 4.368 4.470 0.000 0.000 0.241 42 S C 2.362 176.965 174.600 0.006 0.000 1.000 42 S CA 1.238 59.449 58.200 0.018 0.000 0.964 42 S CB -1.091 62.119 63.200 0.016 0.000 0.763 42 S HN 1.147 nan 8.310 nan 0.000 0.512 43 R N 1.702 122.213 120.500 0.019 0.000 2.152 43 R HA 0.031 4.371 4.340 0.000 0.000 0.232 43 R C 2.400 178.699 176.300 -0.001 0.000 1.117 43 R CA 1.842 57.948 56.100 0.010 0.000 0.981 43 R CB -1.748 28.567 30.300 0.024 0.000 0.870 43 R HN 0.900 nan 8.270 nan 0.000 0.451 44 S N -1.382 114.324 115.700 0.010 0.000 2.556 44 S HA 0.444 4.914 4.470 0.000 0.000 0.216 44 S C 2.214 176.799 174.600 -0.025 0.000 0.970 44 S CA 0.431 58.631 58.200 -0.001 0.000 0.912 44 S CB 0.598 63.815 63.200 0.028 0.000 0.790 44 S HN 0.693 nan 8.310 nan 0.000 0.504 45 A N 2.176 124.972 122.820 -0.040 0.000 1.940 45 A HA 0.158 4.479 4.320 0.000 0.000 0.219 45 A C 2.281 179.771 177.584 -0.155 0.000 1.176 45 A CA 1.546 53.534 52.037 -0.081 0.000 0.631 45 A CB -1.675 17.276 19.000 -0.082 0.000 0.814 45 A HN 0.638 nan 8.150 nan 0.000 0.446 46 G N -0.428 108.279 108.800 -0.155 0.000 2.442 46 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 46 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 46 G C 1.550 176.351 174.900 -0.166 0.000 1.141 46 G CA 0.985 45.965 45.100 -0.200 0.000 0.763 46 G HN 0.431 nan 8.290 nan 0.000 0.554 47 L N -0.214 120.949 121.223 -0.099 0.000 2.056 47 L HA -0.000 4.340 4.340 0.000 0.000 0.207 47 L C 2.986 179.823 176.870 -0.055 0.000 1.078 47 L CA 1.497 56.300 54.840 -0.063 0.000 0.749 47 L CB -0.252 41.786 42.059 -0.035 0.000 0.901 47 L HN 0.223 nan 8.230 nan 0.000 0.433 48 R N 0.295 120.761 120.500 -0.058 0.000 2.091 48 R HA -0.222 4.118 4.340 0.000 0.000 0.238 48 R C 2.190 178.446 176.300 -0.073 0.000 1.136 48 R CA 1.779 57.858 56.100 -0.035 0.000 0.959 48 R CB -0.445 29.843 30.300 -0.021 0.000 0.856 48 R HN 0.434 nan 8.270 nan 0.000 0.437 49 Q N -0.006 119.661 119.800 -0.221 0.000 2.061 49 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 49 Q C 2.025 177.956 176.000 -0.115 0.000 0.984 49 Q CA 2.203 57.776 55.803 -0.382 0.000 0.846 49 Q CB -0.118 28.045 28.738 -0.957 0.000 0.902 49 Q HN 0.353 nan 8.270 nan 0.000 0.421 50 K N 0.670 121.016 120.400 -0.090 0.000 2.032 50 K HA -0.168 4.152 4.320 0.000 0.000 0.209 50 K C 2.013 178.689 176.600 0.127 0.000 1.048 50 K CA 1.330 57.636 56.287 0.032 0.000 0.927 50 K CB -0.050 32.454 32.500 0.006 0.000 0.712 50 K HN 0.106 nan 8.250 nan 0.000 0.441 51 K N 0.613 121.079 120.400 0.111 0.000 2.097 51 K HA -0.086 4.234 4.320 0.000 0.000 0.205 51 K C 2.013 178.804 176.600 0.318 0.000 1.050 51 K CA 1.507 57.897 56.287 0.172 0.000 0.938 51 K CB -0.041 32.530 32.500 0.118 0.000 0.718 51 K HN 0.155 nan 8.250 nan 0.000 0.442 52 V N -1.237 118.844 119.914 0.279 0.000 3.623 52 V HA 0.041 4.161 4.120 0.000 0.000 0.271 52 V C 0.425 176.670 176.094 0.251 0.000 1.248 52 V CA 0.273 62.775 62.300 0.336 0.000 1.156 52 V CB -0.238 31.729 31.823 0.240 0.000 0.870 52 V HN -0.038 nan 8.190 nan 0.000 0.453 53 T N 4.336 119.086 114.554 0.327 0.000 2.770 53 T HA 0.727 5.077 4.350 0.000 0.000 0.297 53 T C -0.764 174.101 174.700 0.276 0.000 0.997 53 T CA -0.054 62.202 62.100 0.261 0.000 0.949 53 T CB 0.311 69.441 68.868 0.436 0.000 0.941 53 T HN 0.625 nan 8.240 nan 0.000 0.457 54 F N -0.303 119.752 119.950 0.175 0.000 2.770 54 F HA 0.638 5.165 4.527 0.000 0.000 0.313 54 F C -1.201 174.650 175.800 0.086 0.000 1.154 54 F CA -1.649 56.419 58.000 0.114 0.000 0.923 54 F CB 0.639 39.696 39.000 0.096 0.000 1.301 54 F HN 0.195 nan 8.300 nan 0.000 0.449 55 D N 0.783 121.381 120.400 0.331 0.000 2.302 55 D HA 0.483 5.123 4.640 0.000 0.000 0.248 55 D C -0.895 175.575 176.300 0.284 0.000 1.094 55 D CA -0.004 54.126 54.000 0.216 0.000 0.897 55 D CB 0.926 41.827 40.800 0.168 0.000 1.200 55 D HN 0.577 nan 8.370 nan 0.000 0.429 56 R N 2.453 123.067 120.500 0.190 0.000 2.437 56 R HA 0.511 4.851 4.340 0.000 0.000 0.310 56 R C -0.894 175.434 176.300 0.046 0.000 0.955 56 R CA -0.696 55.493 56.100 0.148 0.000 0.851 56 R CB 1.090 31.447 30.300 0.095 0.000 1.161 56 R HN 0.302 nan 8.270 nan 0.000 0.446 57 L N 2.154 123.388 121.223 0.020 0.000 2.342 57 L HA 0.560 4.900 4.340 0.000 0.000 0.271 57 L C -0.475 176.354 176.870 -0.069 0.000 1.008 57 L CA -0.460 54.350 54.840 -0.050 0.000 0.818 57 L CB 1.740 43.790 42.059 -0.015 0.000 1.296 57 L HN 0.632 nan 8.230 nan 0.000 0.427 58 Q N 1.556 121.288 119.800 -0.113 0.000 2.263 58 Q HA 0.594 4.934 4.340 0.000 0.000 0.266 58 Q C -1.356 174.580 176.000 -0.107 0.000 1.002 58 Q CA -0.475 55.264 55.803 -0.107 0.000 0.790 58 Q CB 2.626 31.278 28.738 -0.144 0.000 1.272 58 Q HN 0.503 nan 8.270 nan 0.000 0.435 59 V N 2.562 122.431 119.914 -0.076 0.000 2.378 59 V HA 0.640 4.760 4.120 0.000 0.000 0.288 59 V C -0.941 175.136 176.094 -0.027 0.000 1.016 59 V CA -0.685 61.576 62.300 -0.065 0.000 0.840 59 V CB 1.034 32.820 31.823 -0.061 0.000 0.994 59 V HN 0.673 nan 8.190 nan 0.000 0.431 60 L N 5.854 127.030 121.223 -0.078 0.000 2.287 60 L HA 0.653 4.993 4.340 0.000 0.000 0.287 60 L C -0.165 176.719 176.870 0.024 0.000 1.022 60 L CA -0.473 54.292 54.840 -0.124 0.000 0.814 60 L CB 1.561 43.379 42.059 -0.403 0.000 1.217 60 L HN 0.896 nan 8.230 nan 0.000 0.420 61 D N 0.509 121.004 120.400 0.159 0.000 2.588 61 D HA 0.147 4.787 4.640 0.000 0.000 0.268 61 D C 0.257 176.628 176.300 0.119 0.000 1.176 61 D CA -0.578 53.495 54.000 0.121 0.000 1.080 61 D CB 0.813 41.685 40.800 0.121 0.000 1.186 61 D HN 0.285 nan 8.370 nan 0.000 0.619 62 D N -1.264 119.143 120.400 0.011 0.000 2.144 62 D HA -0.133 4.507 4.640 0.000 0.000 0.200 62 D C 1.791 178.093 176.300 0.004 0.000 0.978 62 D CA 0.978 54.961 54.000 -0.028 0.000 0.833 62 D CB -0.124 40.611 40.800 -0.108 0.000 0.961 62 D HN 0.408 nan 8.370 nan 0.000 0.470 63 H N -0.079 119.058 119.070 0.111 0.000 2.352 63 H HA -0.174 4.382 4.556 0.000 0.000 0.299 63 H C 2.029 177.394 175.328 0.063 0.000 1.097 63 H CA 1.029 57.134 56.048 0.096 0.000 1.311 63 H CB -0.711 29.134 29.762 0.138 0.000 1.377 63 H HN 0.331 nan 8.280 nan 0.000 0.504 64 Y N 1.805 122.143 120.300 0.062 0.000 2.114 64 Y HA -0.217 4.334 4.550 0.000 0.000 0.284 64 Y C 2.732 178.580 175.900 -0.086 0.000 1.143 64 Y CA 1.645 59.654 58.100 -0.150 0.000 1.135 64 Y CB -0.085 38.190 38.460 -0.309 0.000 0.980 64 Y HN -0.049 nan 8.280 nan 0.000 0.499 65 R N 0.041 120.586 120.500 0.074 0.000 2.092 65 R HA -0.141 4.199 4.340 0.000 0.000 0.231 65 R C 1.748 178.011 176.300 -0.062 0.000 1.119 65 R CA 1.381 57.470 56.100 -0.018 0.000 0.970 65 R CB -0.292 30.046 30.300 0.062 0.000 0.864 65 R HN 0.415 nan 8.270 nan 0.000 0.440 66 D N 0.118 120.508 120.400 -0.018 0.000 2.097 66 D HA -0.127 4.513 4.640 0.000 0.000 0.195 66 D C 1.963 178.242 176.300 -0.036 0.000 0.989 66 D CA 1.079 55.074 54.000 -0.008 0.000 0.827 66 D CB -0.232 40.593 40.800 0.041 0.000 0.966 66 D HN -0.017 nan 8.370 nan 0.000 0.456 67 V N 1.091 120.966 119.914 -0.066 0.000 2.295 67 V HA -0.212 3.908 4.120 0.000 0.000 0.246 67 V C 2.479 178.502 176.094 -0.117 0.000 1.049 67 V CA 1.094 63.342 62.300 -0.086 0.000 1.024 67 V CB -0.484 31.261 31.823 -0.130 0.000 0.648 67 V HN 0.139 nan 8.190 nan 0.000 0.447 68 L N 0.581 121.666 121.223 -0.230 0.000 2.042 68 L HA -0.202 4.138 4.340 0.000 0.000 0.210 68 L C 2.426 179.225 176.870 -0.119 0.000 1.076 68 L CA 2.336 57.041 54.840 -0.226 0.000 0.749 68 L CB -0.852 40.997 42.059 -0.350 0.000 0.893 68 L HN 0.297 nan 8.230 nan 0.000 0.432 69 K N -0.516 119.831 120.400 -0.089 0.000 2.063 69 K HA -0.230 4.090 4.320 0.000 0.000 0.208 69 K C 1.973 178.552 176.600 -0.034 0.000 1.048 69 K CA 1.968 58.225 56.287 -0.050 0.000 0.928 69 K CB -0.139 32.341 32.500 -0.033 0.000 0.713 69 K HN 0.513 nan 8.250 nan 0.000 0.442 70 E N 0.083 120.267 120.200 -0.025 0.000 2.077 70 E HA -0.194 4.156 4.350 0.000 0.000 0.193 70 E C 2.095 178.691 176.600 -0.006 0.000 0.989 70 E CA 1.699 58.096 56.400 -0.005 0.000 0.800 70 E CB -0.070 29.639 29.700 0.014 0.000 0.746 70 E HN 0.355 nan 8.360 nan 0.000 0.452 71 M N 0.528 120.122 119.600 -0.010 0.000 2.117 71 M HA -0.184 4.296 4.480 0.000 0.000 0.262 71 M C 2.135 178.406 176.300 -0.048 0.000 1.065 71 M CA 1.475 56.761 55.300 -0.024 0.000 1.114 71 M CB -0.142 32.443 32.600 -0.025 0.000 1.361 71 M HN -0.054 nan 8.290 nan 0.000 0.408 72 K N 0.261 120.630 120.400 -0.051 0.000 2.097 72 K HA -0.079 4.241 4.320 0.000 0.000 0.206 72 K C 2.129 178.710 176.600 -0.032 0.000 1.049 72 K CA 1.328 57.588 56.287 -0.046 0.000 0.933 72 K CB -0.269 32.203 32.500 -0.046 0.000 0.717 72 K HN 0.301 nan 8.250 nan 0.000 0.442 73 A N 2.069 124.874 122.820 -0.026 0.000 1.883 73 A HA -0.229 4.091 4.320 0.000 0.000 0.217 73 A C 1.916 179.487 177.584 -0.021 0.000 1.186 73 A CA 1.659 53.685 52.037 -0.018 0.000 0.624 73 A CB -0.313 18.680 19.000 -0.012 0.000 0.822 73 A HN 0.206 nan 8.150 nan 0.000 0.444 74 K N -0.461 119.923 120.400 -0.027 0.000 2.057 74 K HA -0.018 4.302 4.320 0.000 0.000 0.206 74 K C 2.316 178.891 176.600 -0.043 0.000 1.050 74 K CA 1.026 57.291 56.287 -0.036 0.000 0.935 74 K CB -0.348 32.123 32.500 -0.048 0.000 0.715 74 K HN 0.432 nan 8.250 nan 0.000 0.439 75 A N 1.230 124.022 122.820 -0.046 0.000 1.940 75 A HA -0.171 4.150 4.320 0.000 0.000 0.219 75 A C 2.118 179.689 177.584 -0.021 0.000 1.176 75 A CA 1.856 53.870 52.037 -0.038 0.000 0.631 75 A CB -0.528 18.452 19.000 -0.034 0.000 0.814 75 A HN 0.183 nan 8.150 nan 0.000 0.446 76 S N -0.444 115.246 115.700 -0.018 0.000 2.474 76 S HA -0.100 4.370 4.470 0.000 0.000 0.235 76 S C 1.939 176.534 174.600 -0.009 0.000 0.997 76 S CA 1.546 59.741 58.200 -0.009 0.000 0.949 76 S CB -0.512 62.684 63.200 -0.008 0.000 0.766 76 S HN 0.915 nan 8.310 nan 0.000 0.517 77 T N -0.694 113.851 114.554 -0.015 0.000 3.113 77 T HA 0.149 4.499 4.350 0.000 0.000 0.256 77 T C 0.514 175.204 174.700 -0.017 0.000 1.131 77 T CA -0.034 62.057 62.100 -0.015 0.000 1.074 77 T CB -0.318 68.539 68.868 -0.018 0.000 0.944 77 T HN 0.034 nan 8.240 nan 0.000 0.516 78 V N 2.076 121.979 119.914 -0.019 0.000 2.461 78 V HA 0.371 4.491 4.120 0.000 0.000 0.275 78 V C 0.144 176.233 176.094 -0.008 0.000 1.047 78 V CA -0.862 61.426 62.300 -0.021 0.000 0.955 78 V CB 1.084 32.889 31.823 -0.030 0.000 0.988 78 V HN 0.394 nan 8.190 nan 0.000 0.471 79 K N 3.926 124.322 120.400 -0.008 0.000 2.265 79 K HA 0.753 5.073 4.320 0.000 0.000 0.267 79 K C -0.549 176.052 176.600 0.000 0.000 0.994 79 K CA -0.383 55.905 56.287 0.001 0.000 0.860 79 K CB 1.393 33.895 32.500 0.002 0.000 1.099 79 K HN 0.830 nan 8.250 nan 0.000 0.448 80 A N 4.066 126.891 122.820 0.008 0.000 2.374 80 A HA 0.520 4.840 4.320 0.000 0.000 0.317 80 A C -1.224 176.374 177.584 0.023 0.000 1.094 80 A CA -0.943 51.100 52.037 0.010 0.000 0.765 80 A CB 0.939 19.941 19.000 0.003 0.000 1.268 80 A HN 0.852 nan 8.150 nan 0.000 0.438 81 K N 1.130 121.547 120.400 0.028 0.000 2.166 81 K HA 0.729 5.049 4.320 0.000 0.000 0.245 81 K C -1.092 175.532 176.600 0.039 0.000 0.967 81 K CA -0.791 55.515 56.287 0.031 0.000 0.863 81 K CB 1.265 33.779 32.500 0.023 0.000 1.107 81 K HN 0.355 nan 8.250 nan 0.000 0.436 82 L N 2.580 123.820 121.223 0.029 0.000 2.367 82 L HA 0.206 4.546 4.340 0.000 0.000 0.275 82 L C -0.795 176.053 176.870 -0.036 0.000 1.129 82 L CA -0.453 54.392 54.840 0.008 0.000 0.839 82 L CB 0.499 42.561 42.059 0.006 0.000 1.133 82 L HN 0.602 nan 8.230 nan 0.000 0.453 83 L N 3.464 124.651 121.223 -0.061 0.000 2.395 83 L HA 0.344 4.684 4.340 0.000 0.000 0.269 83 L C 0.706 177.466 176.870 -0.183 0.000 1.133 83 L CA 0.349 55.131 54.840 -0.096 0.000 0.812 83 L CB 1.089 43.093 42.059 -0.091 0.000 1.125 83 L HN 0.848 nan 8.230 nan 0.000 0.452 84 S N 1.466 117.071 115.700 -0.158 0.000 2.589 84 S HA 0.173 4.643 4.470 0.000 0.000 0.265 84 S C 1.299 175.755 174.600 -0.240 0.000 1.342 84 S CA -0.615 57.471 58.200 -0.190 0.000 1.005 84 S CB 0.697 63.824 63.200 -0.123 0.000 0.909 84 S HN 0.329 nan 8.310 nan 0.000 0.555 85 V N 1.651 121.395 119.914 -0.284 0.000 2.343 85 V HA -0.149 3.971 4.120 0.000 0.000 0.247 85 V C 2.603 178.575 176.094 -0.204 0.000 1.051 85 V CA 2.340 64.452 62.300 -0.313 0.000 1.036 85 V CB -1.393 30.164 31.823 -0.443 0.000 0.654 85 V HN 0.854 nan 8.190 nan 0.000 0.451 86 E N 0.231 120.340 120.200 -0.151 0.000 2.077 86 E HA -0.197 4.153 4.350 0.000 0.000 0.193 86 E C 2.189 178.720 176.600 -0.115 0.000 0.989 86 E CA 1.351 57.684 56.400 -0.112 0.000 0.800 86 E CB -0.298 29.354 29.700 -0.079 0.000 0.746 86 E HN 0.668 nan 8.360 nan 0.000 0.452 87 E N 0.250 120.376 120.200 -0.123 0.000 2.058 87 E HA -0.203 4.147 4.350 0.000 0.000 0.194 87 E C 2.044 178.541 176.600 -0.172 0.000 0.997 87 E CA 1.128 57.449 56.400 -0.131 0.000 0.801 87 E CB -0.193 29.435 29.700 -0.120 0.000 0.746 87 E HN 0.290 nan 8.360 nan 0.000 0.450 88 A N 0.630 123.340 122.820 -0.183 0.000 1.898 88 A HA -0.189 4.131 4.320 0.000 0.000 0.216 88 A C 2.416 179.904 177.584 -0.161 0.000 1.181 88 A CA 1.154 53.075 52.037 -0.194 0.000 0.620 88 A CB -0.855 18.041 19.000 -0.172 0.000 0.819 88 A HN 0.382 nan 8.150 nan 0.000 0.442 89 C N -0.201 119.017 119.300 -0.136 0.000 2.403 89 C HA -0.089 4.371 4.460 0.000 0.000 0.277 89 C C 2.534 177.464 174.990 -0.101 0.000 1.248 89 C CA 1.310 60.265 59.018 -0.106 0.000 1.762 89 C CB -0.765 26.915 27.740 -0.099 0.000 2.014 89 C HN 0.470 nan 8.230 nan 0.000 0.486 90 K N 0.688 121.025 120.400 -0.105 0.000 2.439 90 K HA 0.125 4.445 4.320 0.000 0.000 0.197 90 K C 1.418 177.974 176.600 -0.072 0.000 1.041 90 K CA 0.735 56.975 56.287 -0.078 0.000 0.970 90 K CB -0.335 32.123 32.500 -0.069 0.000 0.773 90 K HN 0.549 nan 8.250 nan 0.000 0.479 91 L N 0.890 122.026 121.223 -0.145 0.000 2.591 91 L HA 0.029 4.369 4.340 0.000 0.000 0.228 91 L C 0.335 177.122 176.870 -0.138 0.000 1.133 91 L CA 0.161 54.887 54.840 -0.190 0.000 0.880 91 L CB -0.186 41.637 42.059 -0.392 0.000 1.033 91 L HN -0.128 nan 8.230 nan 0.000 0.450 92 T N 1.694 116.181 114.554 -0.112 0.000 2.794 92 T HA 0.225 4.575 4.350 0.000 0.000 0.296 92 T C -2.314 172.269 174.700 -0.196 0.000 0.949 92 T CA -1.172 60.854 62.100 -0.123 0.000 1.101 92 T CB 1.009 69.817 68.868 -0.099 0.000 0.905 92 T HN -0.144 nan 8.240 nan 0.000 0.516 93 P HA 0.131 nan 4.420 nan 0.000 0.265 93 P C -1.935 175.083 177.300 -0.471 0.000 1.193 93 P CA -1.322 61.532 63.100 -0.410 0.000 0.765 93 P CB 0.165 31.748 31.700 -0.194 0.000 0.823 94 P HA -0.141 nan 4.420 nan 0.000 0.222 94 P C 0.656 177.618 177.300 -0.563 0.000 1.147 94 P CA 1.620 64.353 63.100 -0.612 0.000 0.790 94 P CB -0.081 31.177 31.700 -0.736 0.000 0.780 95 H N -2.157 116.788 119.070 -0.209 0.000 2.542 95 H HA 0.252 4.808 4.556 0.000 0.000 0.283 95 H C 0.537 175.787 175.328 -0.130 0.000 1.059 95 H CA -0.184 55.782 56.048 -0.137 0.000 1.162 95 H CB -0.003 29.692 29.762 -0.111 0.000 1.539 95 H HN 0.062 nan 8.280 nan 0.000 0.543 96 S N 1.134 116.784 115.700 -0.083 0.000 2.563 96 S HA 0.234 4.704 4.470 0.000 0.000 0.284 96 S C 0.688 175.240 174.600 -0.080 0.000 1.331 96 S CA -0.417 57.724 58.200 -0.100 0.000 1.047 96 S CB 0.344 63.478 63.200 -0.109 0.000 0.859 96 S HN 0.503 nan 8.310 nan 0.000 0.514 97 A N 4.630 127.379 122.820 -0.118 0.000 2.567 97 A HA 0.217 4.537 4.320 0.000 0.000 0.240 97 A C 0.601 178.168 177.584 -0.027 0.000 1.053 97 A CA -0.068 51.928 52.037 -0.069 0.000 0.755 97 A CB -0.237 18.709 19.000 -0.090 0.000 0.978 97 A HN 0.863 nan 8.150 nan 0.000 0.507 98 K N 2.255 122.636 120.400 -0.031 0.000 2.336 98 K HA 0.290 4.610 4.320 0.000 0.000 0.262 98 K C 0.363 176.888 176.600 -0.124 0.000 0.992 98 K CA 0.071 56.311 56.287 -0.078 0.000 0.927 98 K CB 0.331 32.785 32.500 -0.076 0.000 0.956 98 K HN 0.433 nan 8.250 nan 0.000 0.495 99 S N 0.253 115.772 115.700 -0.303 0.000 2.576 99 S HA 0.189 4.659 4.470 0.000 0.000 0.276 99 S C 1.317 175.717 174.600 -0.333 0.000 1.339 99 S CA 0.100 58.077 58.200 -0.372 0.000 1.039 99 S CB 0.773 63.387 63.200 -0.976 0.000 0.902 99 S HN 0.703 nan 8.310 nan 0.000 0.516 100 K N 3.195 123.379 120.400 -0.360 0.000 2.515 100 K HA 0.096 4.416 4.320 0.000 0.000 0.196 100 K C 0.607 176.749 176.600 -0.764 0.000 1.038 100 K CA 1.255 57.200 56.287 -0.571 0.000 0.967 100 K CB -0.795 31.280 32.500 -0.708 0.000 0.780 100 K HN 0.767 nan 8.250 nan 0.000 0.483 101 F N -0.096 119.683 119.950 -0.286 0.000 2.750 101 F HA 0.405 4.932 4.527 0.000 0.000 0.297 101 F C 1.497 177.195 175.800 -0.170 0.000 1.138 101 F CA -0.166 57.668 58.000 -0.276 0.000 1.346 101 F CB 0.471 39.163 39.000 -0.514 0.000 0.965 101 F HN 0.252 nan 8.300 nan 0.000 0.514 102 G N 0.364 109.114 108.800 -0.084 0.000 2.130 102 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 102 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 102 G C -0.365 174.612 174.900 0.129 0.000 0.999 102 G CA 0.040 45.156 45.100 0.026 0.000 0.686 102 G HN 0.531 nan 8.290 nan 0.000 0.515 103 Y N -2.319 117.983 120.300 0.003 0.000 2.638 103 Y HA 0.794 5.344 4.550 0.000 0.000 0.335 103 Y C 0.366 176.274 175.900 0.013 0.000 1.155 103 Y CA -1.135 56.971 58.100 0.011 0.000 1.046 103 Y CB 0.634 39.108 38.460 0.023 0.000 1.303 103 Y HN 0.653 nan 8.280 nan 0.000 0.460 104 G N -0.190 108.699 108.800 0.148 0.000 2.932 104 G HA2 0.540 4.500 3.960 0.000 0.000 0.283 104 G HA3 0.540 4.500 3.960 0.000 0.000 0.283 104 G C 0.233 175.197 174.900 0.106 0.000 1.336 104 G CA -0.780 44.349 45.100 0.050 0.000 1.056 104 G HN 1.184 nan 8.290 nan 0.000 0.522 105 A N -0.378 122.452 122.820 0.016 0.000 1.933 105 A HA -0.018 4.302 4.320 0.000 0.000 0.218 105 A C 2.164 179.716 177.584 -0.054 0.000 1.175 105 A CA 1.970 53.993 52.037 -0.024 0.000 0.628 105 A CB -0.388 18.554 19.000 -0.095 0.000 0.814 105 A HN 0.583 nan 8.150 nan 0.000 0.444 106 K N -0.265 120.095 120.400 -0.067 0.000 2.148 106 K HA -0.104 4.216 4.320 0.000 0.000 0.204 106 K C 1.325 177.905 176.600 -0.033 0.000 1.050 106 K CA 1.271 57.509 56.287 -0.081 0.000 0.942 106 K CB -0.122 32.323 32.500 -0.091 0.000 0.724 106 K HN 0.464 nan 8.250 nan 0.000 0.446 107 D N 0.389 120.801 120.400 0.020 0.000 2.144 107 D HA -0.129 4.511 4.640 0.000 0.000 0.200 107 D C 1.948 178.249 176.300 0.001 0.000 0.978 107 D CA 0.959 54.978 54.000 0.031 0.000 0.833 107 D CB -0.160 40.702 40.800 0.103 0.000 0.961 107 D HN -0.046 nan 8.370 nan 0.000 0.470 108 V N 1.453 121.388 119.914 0.036 0.000 2.261 108 V HA -0.226 3.894 4.120 0.000 0.000 0.246 108 V C 2.532 178.597 176.094 -0.047 0.000 1.047 108 V CA 1.557 63.856 62.300 -0.002 0.000 1.015 108 V CB -0.356 31.503 31.823 0.060 0.000 0.642 108 V HN 0.128 nan 8.190 nan 0.000 0.446 109 R N 0.325 120.789 120.500 -0.060 0.000 2.096 109 R HA -0.108 4.232 4.340 0.000 0.000 0.235 109 R C 1.822 178.084 176.300 -0.063 0.000 1.127 109 R CA 1.383 57.436 56.100 -0.079 0.000 0.968 109 R CB -0.398 29.832 30.300 -0.116 0.000 0.861 109 R HN 0.509 nan 8.270 nan 0.000 0.440 110 N N 0.936 119.604 118.700 -0.054 0.000 2.461 110 N HA 0.032 4.772 4.740 0.000 0.000 0.188 110 N C 0.229 175.712 175.510 -0.045 0.000 1.134 110 N CA 0.349 53.372 53.050 -0.045 0.000 0.878 110 N CB 0.171 38.636 38.487 -0.037 0.000 0.972 110 N HN 0.163 nan 8.380 nan 0.000 0.456 111 L N 0.642 121.833 121.223 -0.055 0.000 3.634 111 L HA -0.218 4.123 4.340 0.000 0.000 0.423 111 L C 0.216 177.052 176.870 -0.058 0.000 1.253 111 L CA -0.058 54.746 54.840 -0.060 0.000 0.885 111 L CB -2.654 39.374 42.059 -0.052 0.000 1.789 111 L HN 0.137 nan 8.230 nan 0.000 0.904 112 S N -1.457 114.205 115.700 -0.064 0.000 2.560 112 S HA 0.190 4.660 4.470 0.000 0.000 0.284 112 S C 1.417 175.973 174.600 -0.073 0.000 1.327 112 S CA 0.251 58.416 58.200 -0.058 0.000 1.055 112 S CB 1.906 65.078 63.200 -0.047 0.000 0.868 112 S HN 0.423 nan 8.310 nan 0.000 0.506 113 S N 2.701 118.372 115.700 -0.048 0.000 2.380 113 S HA -0.255 4.215 4.470 0.000 0.000 0.229 113 S C 1.818 176.383 174.600 -0.057 0.000 1.043 113 S CA 2.037 60.214 58.200 -0.040 0.000 1.038 113 S CB -0.649 62.537 63.200 -0.023 0.000 0.872 113 S HN 0.886 nan 8.310 nan 0.000 0.456 114 K N 0.274 120.631 120.400 -0.071 0.000 2.025 114 K HA 0.033 4.353 4.320 0.000 0.000 0.207 114 K C 2.298 178.746 176.600 -0.254 0.000 1.049 114 K CA 1.094 57.331 56.287 -0.083 0.000 0.933 114 K CB -0.573 31.913 32.500 -0.024 0.000 0.714 114 K HN 0.396 nan 8.250 nan 0.000 0.438 115 A N 0.712 123.260 122.820 -0.454 0.000 1.865 115 A HA -0.134 4.186 4.320 0.000 0.000 0.217 115 A C 2.260 179.573 177.584 -0.452 0.000 1.191 115 A CA 1.858 53.340 52.037 -0.925 0.000 0.623 115 A CB -0.855 17.752 19.000 -0.655 0.000 0.826 115 A HN 0.175 nan 8.150 nan 0.000 0.444 116 V N 1.068 120.848 119.914 -0.223 0.000 2.343 116 V HA -0.273 3.847 4.120 0.000 0.000 0.247 116 V C 2.313 178.424 176.094 0.030 0.000 1.051 116 V CA 2.157 64.397 62.300 -0.100 0.000 1.036 116 V CB -1.088 30.715 31.823 -0.033 0.000 0.654 116 V HN 0.556 nan 8.190 nan 0.000 0.451 117 N N -0.443 118.277 118.700 0.033 0.000 2.104 117 N HA -0.208 4.532 4.740 0.000 0.000 0.190 117 N C 1.866 177.424 175.510 0.080 0.000 1.024 117 N CA 1.781 54.877 53.050 0.077 0.000 0.853 117 N CB -0.628 37.880 38.487 0.035 0.000 1.008 117 N HN 0.666 nan 8.380 nan 0.000 0.424 118 H N 0.639 119.669 119.070 -0.067 0.000 2.357 118 H HA 0.053 4.609 4.556 0.000 0.000 0.301 118 H C 2.089 177.409 175.328 -0.013 0.000 1.082 118 H CA 0.987 57.013 56.048 -0.036 0.000 1.342 118 H CB 0.013 29.784 29.762 0.015 0.000 1.389 118 H HN 0.114 nan 8.280 nan 0.000 0.511 119 I N 0.324 120.802 120.570 -0.154 0.000 2.163 119 I HA -0.314 3.856 4.170 0.000 0.000 0.243 119 I C 2.367 178.400 176.117 -0.140 0.000 1.085 119 I CA 1.572 62.767 61.300 -0.176 0.000 1.347 119 I CB -0.446 37.453 38.000 -0.168 0.000 1.044 119 I HN 0.333 nan 8.210 nan 0.000 0.408 120 H N 0.036 119.068 119.070 -0.063 0.000 2.352 120 H HA -0.178 4.378 4.556 0.000 0.000 0.299 120 H C 2.550 177.891 175.328 0.020 0.000 1.097 120 H CA 1.999 58.044 56.048 -0.004 0.000 1.311 120 H CB -0.048 29.699 29.762 -0.026 0.000 1.377 120 H HN 0.401 nan 8.280 nan 0.000 0.504 121 S N -0.079 115.655 115.700 0.056 0.000 2.383 121 S HA -0.130 4.340 4.470 0.000 0.000 0.227 121 S C 2.282 176.829 174.600 -0.089 0.000 1.026 121 S CA 1.159 59.348 58.200 -0.019 0.000 0.981 121 S CB -0.717 62.456 63.200 -0.045 0.000 0.818 121 S HN 0.166 nan 8.310 nan 0.000 0.472 122 V N 1.032 120.824 119.914 -0.204 0.000 2.287 122 V HA -0.161 3.959 4.120 0.000 0.000 0.248 122 V C 2.263 178.344 176.094 -0.022 0.000 1.053 122 V CA 1.949 64.147 62.300 -0.170 0.000 1.027 122 V CB -1.180 30.510 31.823 -0.222 0.000 0.646 122 V HN 0.709 nan 8.190 nan 0.000 0.447 123 W N 1.353 122.577 121.300 -0.127 0.000 2.333 123 W HA -0.250 4.410 4.660 0.000 0.000 0.316 123 W C 2.584 179.073 176.519 -0.049 0.000 1.215 123 W CA 2.393 59.691 57.345 -0.078 0.000 1.278 123 W CB -0.217 29.201 29.460 -0.071 0.000 1.154 123 W HN 0.231 nan 8.180 nan 0.000 0.486 124 K N 0.531 120.988 120.400 0.094 0.000 2.063 124 K HA -0.291 4.029 4.320 0.000 0.000 0.208 124 K C 1.745 178.283 176.600 -0.103 0.000 1.048 124 K CA 2.362 58.644 56.287 -0.008 0.000 0.928 124 K CB -0.645 31.889 32.500 0.056 0.000 0.713 124 K HN 0.049 nan 8.250 nan 0.000 0.442 125 D N 0.163 120.507 120.400 -0.095 0.000 2.144 125 D HA -0.147 4.493 4.640 0.000 0.000 0.199 125 D C 1.955 178.162 176.300 -0.156 0.000 0.984 125 D CA 0.961 54.896 54.000 -0.107 0.000 0.834 125 D CB 0.067 40.812 40.800 -0.093 0.000 0.955 125 D HN 0.222 nan 8.370 nan 0.000 0.465 126 L N -0.129 120.957 121.223 -0.228 0.000 2.083 126 L HA -0.126 4.214 4.340 0.000 0.000 0.209 126 L C 2.420 179.097 176.870 -0.321 0.000 1.083 126 L CA 0.636 55.299 54.840 -0.295 0.000 0.752 126 L CB -0.321 41.486 42.059 -0.419 0.000 0.899 126 L HN 0.222 nan 8.230 nan 0.000 0.433 127 L N -0.819 120.180 121.223 -0.374 0.000 2.109 127 L HA -0.158 4.182 4.340 0.000 0.000 0.207 127 L C 2.270 179.042 176.870 -0.164 0.000 1.086 127 L CA 1.188 55.854 54.840 -0.290 0.000 0.760 127 L CB -0.394 41.495 42.059 -0.284 0.000 0.910 127 L HN 0.283 nan 8.230 nan 0.000 0.437 128 E N -0.949 119.170 120.200 -0.134 0.000 2.230 128 E HA -0.073 4.277 4.350 0.000 0.000 0.192 128 E C 0.222 176.776 176.600 -0.076 0.000 0.987 128 E CA 0.282 56.631 56.400 -0.086 0.000 0.841 128 E CB 0.362 30.023 29.700 -0.064 0.000 0.783 128 E HN 0.195 nan 8.360 nan 0.000 0.481 129 D N -0.062 120.283 120.400 -0.091 0.000 2.620 129 D HA 0.046 4.686 4.640 0.000 0.000 0.252 129 D C -0.259 175.991 176.300 -0.084 0.000 1.207 129 D CA -0.342 53.615 54.000 -0.073 0.000 0.884 129 D CB 1.510 42.273 40.800 -0.062 0.000 1.262 129 D HN -0.041 nan 8.370 nan 0.000 0.552 130 T N 0.520 115.033 114.554 -0.068 0.000 3.228 130 T HA 0.236 4.586 4.350 0.000 0.000 0.278 130 T C 1.136 175.806 174.700 -0.050 0.000 1.014 130 T CA 0.382 62.440 62.100 -0.069 0.000 0.904 130 T CB -0.266 68.564 68.868 -0.063 0.000 1.110 130 T HN 0.205 nan 8.240 nan 0.000 0.541 131 V N -2.720 117.170 119.914 -0.041 0.000 3.250 131 V HA 0.377 4.497 4.120 0.000 0.000 0.240 131 V C 0.695 176.779 176.094 -0.017 0.000 1.275 131 V CA 0.033 62.318 62.300 -0.025 0.000 1.206 131 V CB -0.386 31.425 31.823 -0.020 0.000 0.976 131 V HN 0.306 nan 8.190 nan 0.000 0.467 132 T N 4.676 119.218 114.554 -0.020 0.000 2.769 132 T HA 0.356 4.707 4.350 0.000 0.000 0.293 132 T C -2.486 172.213 174.700 -0.002 0.000 0.931 132 T CA -0.345 61.752 62.100 -0.006 0.000 1.139 132 T CB 0.678 69.542 68.868 -0.007 0.000 0.881 132 T HN 0.372 nan 8.240 nan 0.000 0.532 133 P HA 0.169 nan 4.420 nan 0.000 0.266 133 P C -0.281 177.023 177.300 0.007 0.000 1.195 133 P CA -0.121 62.996 63.100 0.028 0.000 0.768 133 P CB 0.389 32.152 31.700 0.106 0.000 0.838 134 I N 2.322 122.878 120.570 -0.023 0.000 2.385 134 I HA 0.166 4.336 4.170 0.000 0.000 0.294 134 I C 0.864 176.971 176.117 -0.018 0.000 0.988 134 I CA -0.503 60.788 61.300 -0.015 0.000 1.265 134 I CB 0.958 38.936 38.000 -0.036 0.000 1.388 134 I HN 0.324 nan 8.210 nan 0.000 0.480 135 D N 4.231 124.637 120.400 0.011 0.000 2.382 135 D HA 0.211 4.851 4.640 0.000 0.000 0.240 135 D C -0.395 175.881 176.300 -0.041 0.000 1.146 135 D CA 0.259 54.253 54.000 -0.010 0.000 0.897 135 D CB 0.834 41.644 40.800 0.017 0.000 1.197 135 D HN 0.596 nan 8.370 nan 0.000 0.432 136 T N -0.903 113.598 114.554 -0.090 0.000 2.906 136 T HA 0.580 4.930 4.350 0.000 0.000 0.295 136 T C -0.402 174.152 174.700 -0.243 0.000 1.061 136 T CA -0.986 61.021 62.100 -0.155 0.000 1.000 136 T CB 1.483 70.278 68.868 -0.123 0.000 1.103 136 T HN 0.223 nan 8.240 nan 0.000 0.486 137 T N 2.385 116.638 114.554 -0.501 0.000 2.837 137 T HA 0.569 4.919 4.350 0.000 0.000 0.285 137 T C -0.281 174.131 174.700 -0.480 0.000 0.984 137 T CA -0.601 61.162 62.100 -0.562 0.000 1.049 137 T CB 0.682 69.018 68.868 -0.886 0.000 0.947 137 T HN 0.714 nan 8.240 nan 0.000 0.472 138 I N 4.138 124.600 120.570 -0.179 0.000 2.378 138 I HA 0.500 4.670 4.170 0.000 0.000 0.291 138 I C -0.946 175.195 176.117 0.040 0.000 0.992 138 I CA -0.783 60.507 61.300 -0.017 0.000 1.154 138 I CB 0.648 38.696 38.000 0.080 0.000 1.315 138 I HN 0.406 nan 8.210 nan 0.000 0.448 139 M N 6.263 125.940 119.600 0.128 0.000 2.619 139 M HA 0.504 4.985 4.480 0.000 0.000 0.297 139 M C -0.550 175.818 176.300 0.114 0.000 1.229 139 M CA -0.634 54.749 55.300 0.139 0.000 0.860 139 M CB 1.824 34.563 32.600 0.231 0.000 1.741 139 M HN 0.579 nan 8.290 nan 0.000 0.462 140 A N 2.050 124.916 122.820 0.076 0.000 2.320 140 A HA 0.460 4.780 4.320 0.000 0.000 0.287 140 A C -0.069 177.553 177.584 0.063 0.000 1.181 140 A CA -0.452 51.622 52.037 0.061 0.000 0.831 140 A CB 0.187 19.209 19.000 0.038 0.000 1.102 140 A HN 0.746 nan 8.150 nan 0.000 0.513 141 K N 2.089 122.528 120.400 0.065 0.000 2.350 141 K HA 0.086 4.406 4.320 0.000 0.000 0.279 141 K C -0.618 175.985 176.600 0.005 0.000 1.027 141 K CA 0.167 56.477 56.287 0.037 0.000 0.969 141 K CB 0.478 33.008 32.500 0.049 0.000 0.954 141 K HN 0.760 nan 8.250 nan 0.000 0.474 142 N N 2.932 121.604 118.700 -0.046 0.000 2.500 142 N HA 0.095 4.835 4.740 0.000 0.000 0.236 142 N C -1.192 174.176 175.510 -0.235 0.000 1.022 142 N CA -0.276 52.703 53.050 -0.118 0.000 0.935 142 N CB 0.922 39.340 38.487 -0.116 0.000 1.147 142 N HN 0.388 nan 8.380 nan 0.000 0.512 143 E N 0.911 120.935 120.200 -0.295 0.000 2.288 143 E HA 0.439 4.789 4.350 0.000 0.000 0.268 143 E C -0.946 175.153 176.600 -0.836 0.000 0.885 143 E CA -0.984 55.106 56.400 -0.517 0.000 0.767 143 E CB 2.554 31.992 29.700 -0.436 0.000 1.220 143 E HN 0.089 nan 8.360 nan 0.000 0.427 144 V N 3.131 122.443 119.914 -1.004 0.000 2.427 144 V HA 0.471 4.591 4.120 0.000 0.000 0.286 144 V C -0.824 174.590 176.094 -1.134 0.000 1.034 144 V CA -0.284 61.447 62.300 -0.948 0.000 0.893 144 V CB 0.190 31.608 31.823 -0.676 0.000 0.982 144 V HN 0.501 nan 8.190 nan 0.000 0.452 145 F N 2.275 121.882 119.950 -0.571 0.000 2.675 145 F HA 0.610 5.137 4.527 0.000 0.000 0.324 145 F C 0.136 175.750 175.800 -0.310 0.000 1.106 145 F CA -0.873 56.868 58.000 -0.431 0.000 0.970 145 F CB 1.221 39.967 39.000 -0.425 0.000 1.385 145 F HN 0.511 nan 8.300 nan 0.000 0.489 146 C N 2.823 122.216 119.300 0.155 0.000 2.350 146 C HA 0.763 5.223 4.460 0.000 0.000 0.348 146 C C 0.140 175.337 174.990 0.345 0.000 1.260 146 C CA -0.763 58.383 59.018 0.212 0.000 1.966 146 C CB -0.230 27.591 27.740 0.136 0.000 2.380 146 C HN 0.731 nan 8.230 nan 0.000 0.535 147 V N 3.801 123.960 119.914 0.408 0.000 2.788 147 V HA 0.478 4.598 4.120 0.000 0.000 0.307 147 V C 0.098 176.285 176.094 0.156 0.000 1.069 147 V CA 0.812 63.288 62.300 0.293 0.000 1.173 147 V CB -0.125 31.785 31.823 0.144 0.000 0.925 147 V HN 1.233 nan 8.190 nan 0.000 0.492 148 Q N 4.211 124.071 119.800 0.099 0.000 2.456 148 Q HA 0.548 4.888 4.340 0.000 0.000 0.252 148 Q C -1.852 174.160 176.000 0.021 0.000 1.042 148 Q CA -1.463 54.369 55.803 0.049 0.000 0.766 148 Q CB 0.796 29.551 28.738 0.027 0.000 1.196 148 Q HN 0.896 nan 8.270 nan 0.000 0.504 149 P HA 0.045 nan 4.420 nan 0.000 0.236 149 P C 0.667 177.967 177.300 -0.001 0.000 1.172 149 P CA 1.309 64.413 63.100 0.006 0.000 0.759 149 P CB -0.106 31.599 31.700 0.009 0.000 0.843 154 R N 0.957 121.342 120.500 -0.191 0.000 2.599 154 R HA 0.538 4.878 4.340 0.000 0.000 0.295 154 R C -0.883 175.369 176.300 -0.081 0.000 0.963 154 R CA -0.736 55.183 56.100 -0.303 0.000 0.883 154 R CB 2.313 32.223 30.300 -0.651 0.000 1.171 154 R HN 0.113 nan 8.270 nan 0.000 0.450 155 K N 3.249 123.687 120.400 0.064 0.000 2.298 155 K HA 0.203 4.524 4.320 0.000 0.000 0.280 155 K C -2.034 174.622 176.600 0.094 0.000 1.032 155 K CA -1.434 54.863 56.287 0.017 0.000 0.958 155 K CB 0.364 32.769 32.500 -0.157 0.000 0.978 155 K HN 0.302 nan 8.250 nan 0.000 0.472 156 P HA 0.041 nan 4.420 nan 0.000 0.274 156 P C -0.834 176.527 177.300 0.102 0.000 1.237 156 P CA -0.493 62.646 63.100 0.065 0.000 0.793 156 P CB 0.665 32.379 31.700 0.024 0.000 0.977 157 A N 3.030 125.913 122.820 0.104 0.000 2.531 157 A HA 0.073 4.393 4.320 0.000 0.000 0.236 157 A C 0.685 178.328 177.584 0.098 0.000 1.062 157 A CA -0.032 52.074 52.037 0.116 0.000 0.760 157 A CB -0.365 18.684 19.000 0.081 0.000 0.995 157 A HN 0.452 nan 8.150 nan 0.000 0.501 158 R N 0.522 121.097 120.500 0.125 0.000 2.641 158 R HA 0.320 4.661 4.340 0.000 0.000 0.269 158 R C -0.810 175.553 176.300 0.105 0.000 1.074 158 R CA -0.619 55.552 56.100 0.119 0.000 1.133 158 R CB 0.228 30.613 30.300 0.143 0.000 1.029 158 R HN 0.482 nan 8.270 nan 0.000 0.488 159 L N 2.478 123.769 121.223 0.113 0.000 2.325 159 L HA 0.439 4.779 4.340 0.000 0.000 0.279 159 L C -0.151 176.814 176.870 0.158 0.000 1.054 159 L CA -0.552 54.360 54.840 0.120 0.000 0.804 159 L CB 1.080 43.203 42.059 0.108 0.000 1.200 159 L HN 0.497 nan 8.230 nan 0.000 0.436 160 I N 2.371 123.051 120.570 0.182 0.000 2.433 160 I HA 0.595 4.765 4.170 0.000 0.000 0.292 160 I C -0.999 175.299 176.117 0.302 0.000 1.001 160 I CA -0.304 61.142 61.300 0.243 0.000 1.119 160 I CB 1.791 39.931 38.000 0.235 0.000 1.289 160 I HN 0.206 nan 8.210 nan 0.000 0.438 161 V N 8.738 128.828 119.914 0.294 0.000 2.443 161 V HA 0.562 4.682 4.120 0.000 0.000 0.293 161 V C -0.931 175.317 176.094 0.256 0.000 1.021 161 V CA -0.477 61.937 62.300 0.189 0.000 0.848 161 V CB 1.072 32.989 31.823 0.156 0.000 0.998 161 V HN 0.578 nan 8.190 nan 0.000 0.424 162 F N 5.150 125.147 119.950 0.077 0.000 2.591 162 F HA 0.938 5.465 4.527 0.000 0.000 0.309 162 F C -3.040 172.800 175.800 0.067 0.000 1.098 162 F CA -2.675 55.370 58.000 0.076 0.000 0.937 162 F CB 1.799 40.839 39.000 0.066 0.000 1.250 162 F HN 0.293 nan 8.300 nan 0.000 0.447 163 P HA 0.174 nan 4.420 nan 0.000 0.279 163 P C -0.993 176.439 177.300 0.220 0.000 1.276 163 P CA -0.160 63.015 63.100 0.126 0.000 0.801 163 P CB 1.170 32.945 31.700 0.124 0.000 1.127 164 D N -0.716 119.795 120.400 0.184 0.000 2.400 164 D HA -0.060 4.580 4.640 0.000 0.000 0.238 164 D C 1.378 177.818 176.300 0.234 0.000 1.157 164 D CA -0.278 53.860 54.000 0.229 0.000 0.889 164 D CB 0.269 41.260 40.800 0.318 0.000 1.199 164 D HN 0.115 nan 8.370 nan 0.000 0.436 165 L N 3.491 124.831 121.223 0.195 0.000 2.051 165 L HA -0.070 4.270 4.340 0.000 0.000 0.214 165 L C 2.032 179.045 176.870 0.238 0.000 1.076 165 L CA 2.653 57.594 54.840 0.169 0.000 0.758 165 L CB -1.091 41.020 42.059 0.087 0.000 0.890 165 L HN 0.669 nan 8.230 nan 0.000 0.433 166 G N -1.327 107.679 108.800 0.343 0.000 2.440 166 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 166 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 166 G C 1.525 176.521 174.900 0.160 0.000 1.154 166 G CA 1.092 46.390 45.100 0.331 0.000 0.767 166 G HN 0.366 nan 8.290 nan 0.000 0.552 167 V N 0.830 120.838 119.914 0.157 0.000 2.343 167 V HA -0.168 3.952 4.120 0.000 0.000 0.247 167 V C 2.916 179.088 176.094 0.130 0.000 1.051 167 V CA 1.921 64.290 62.300 0.115 0.000 1.036 167 V CB -0.477 31.407 31.823 0.101 0.000 0.654 167 V HN 0.337 nan 8.190 nan 0.000 0.451 168 R N -0.245 120.342 120.500 0.145 0.000 2.096 168 R HA -0.116 4.224 4.340 0.000 0.000 0.235 168 R C 2.220 178.578 176.300 0.097 0.000 1.127 168 R CA 1.424 57.602 56.100 0.130 0.000 0.968 168 R CB -0.615 29.756 30.300 0.118 0.000 0.861 168 R HN 0.433 nan 8.270 nan 0.000 0.440 169 V N 0.471 120.436 119.914 0.085 0.000 2.358 169 V HA -0.279 3.841 4.120 0.000 0.000 0.246 169 V C 2.532 178.650 176.094 0.039 0.000 1.047 169 V CA 1.502 63.821 62.300 0.032 0.000 1.035 169 V CB -0.480 31.350 31.823 0.010 0.000 0.658 169 V HN 0.438 nan 8.190 nan 0.000 0.452 170 C N -0.004 119.359 119.300 0.106 0.000 2.413 170 C HA -0.171 4.289 4.460 0.000 0.000 0.276 170 C C 2.691 177.845 174.990 0.274 0.000 1.248 170 C CA 1.077 60.240 59.018 0.241 0.000 1.742 170 C CB -1.027 26.896 27.740 0.304 0.000 2.017 170 C HN 0.622 nan 8.230 nan 0.000 0.481 171 E N 0.762 121.079 120.200 0.196 0.000 2.058 171 E HA -0.245 4.105 4.350 0.000 0.000 0.194 171 E C 2.150 178.861 176.600 0.184 0.000 0.997 171 E CA 1.343 57.868 56.400 0.208 0.000 0.801 171 E CB -0.164 29.668 29.700 0.219 0.000 0.746 171 E HN 0.652 nan 8.360 nan 0.000 0.450 172 K N 0.383 120.858 120.400 0.127 0.000 2.026 172 K HA -0.128 4.192 4.320 0.000 0.000 0.208 172 K C 2.228 178.877 176.600 0.081 0.000 1.048 172 K CA 1.480 57.827 56.287 0.100 0.000 0.929 172 K CB -0.170 32.312 32.500 -0.029 0.000 0.713 172 K HN 0.093 nan 8.250 nan 0.000 0.439 173 M N 0.531 120.133 119.600 0.004 0.000 2.088 173 M HA -0.249 4.231 4.480 0.000 0.000 0.256 173 M C 2.468 178.794 176.300 0.042 0.000 1.071 173 M CA 2.022 57.258 55.300 -0.106 0.000 1.097 173 M CB -0.468 31.874 32.600 -0.430 0.000 1.315 173 M HN 0.285 nan 8.290 nan 0.000 0.406 174 A N -0.745 122.221 122.820 0.243 0.000 1.929 174 A HA 0.025 4.345 4.320 0.000 0.000 0.216 174 A C 1.870 179.546 177.584 0.153 0.000 1.176 174 A CA 1.246 53.467 52.037 0.307 0.000 0.628 174 A CB -0.210 19.005 19.000 0.357 0.000 0.816 174 A HN 0.513 nan 8.150 nan 0.000 0.444 175 L N -3.268 118.031 121.223 0.125 0.000 3.174 175 L HA 0.190 4.530 4.340 0.000 0.000 0.283 175 L C 1.804 178.704 176.870 0.049 0.000 1.187 175 L CA 0.005 54.862 54.840 0.027 0.000 1.018 175 L CB 0.119 42.165 42.059 -0.022 0.000 1.433 175 L HN 0.444 nan 8.230 nan 0.000 0.593 176 Y N 1.500 121.807 120.300 0.012 0.000 2.128 176 Y HA -0.336 4.214 4.550 0.000 0.000 0.284 176 Y C 2.212 178.139 175.900 0.044 0.000 1.154 176 Y CA 2.359 60.483 58.100 0.040 0.000 1.149 176 Y CB 0.088 38.563 38.460 0.025 0.000 0.976 176 Y HN 0.227 nan 8.280 nan 0.000 0.505 177 D N -0.735 119.697 120.400 0.054 0.000 2.117 177 D HA -0.161 4.479 4.640 0.000 0.000 0.198 177 D C 2.242 178.478 176.300 -0.106 0.000 0.982 177 D CA 1.396 55.372 54.000 -0.041 0.000 0.828 177 D CB -0.254 40.576 40.800 0.049 0.000 0.967 177 D HN 0.260 nan 8.370 nan 0.000 0.464 178 V N 0.556 120.415 119.914 -0.091 0.000 2.233 178 V HA -0.249 3.871 4.120 0.000 0.000 0.247 178 V C 2.715 178.700 176.094 -0.181 0.000 1.050 178 V CA 1.969 64.192 62.300 -0.128 0.000 1.010 178 V CB -0.751 30.970 31.823 -0.169 0.000 0.637 178 V HN 0.349 nan 8.190 nan 0.000 0.444 179 V N -2.640 117.145 119.914 -0.216 0.000 2.970 179 V HA -0.091 4.029 4.120 0.000 0.000 0.260 179 V C 2.059 177.995 176.094 -0.262 0.000 1.100 179 V CA 2.066 64.229 62.300 -0.227 0.000 1.122 179 V CB -0.359 31.348 31.823 -0.192 0.000 0.721 179 V HN 0.452 nan 8.190 nan 0.000 0.483 180 S N 0.351 115.888 115.700 -0.271 0.000 2.446 180 S HA -0.008 4.462 4.470 0.000 0.000 0.225 180 S C 1.855 176.352 174.600 -0.172 0.000 1.016 180 S CA 1.527 59.584 58.200 -0.239 0.000 0.943 180 S CB -0.014 62.983 63.200 -0.338 0.000 0.786 180 S HN 0.795 nan 8.310 nan 0.000 0.508 181 T N 1.271 115.721 114.554 -0.173 0.000 3.026 181 T HA 0.287 4.637 4.350 0.000 0.000 0.245 181 T C 1.647 176.241 174.700 -0.178 0.000 1.004 181 T CA -0.131 61.886 62.100 -0.139 0.000 1.069 181 T CB -0.134 68.677 68.868 -0.095 0.000 1.005 181 T HN 0.175 nan 8.240 nan 0.000 0.472 182 L N 1.977 123.091 121.223 -0.183 0.000 2.056 182 L HA 0.032 4.372 4.340 0.000 0.000 0.207 182 L C -1.019 175.680 176.870 -0.285 0.000 1.078 182 L CA 1.304 56.042 54.840 -0.171 0.000 0.749 182 L CB -0.762 41.248 42.059 -0.083 0.000 0.901 182 L HN 0.116 nan 8.230 nan 0.000 0.433 183 P HA -0.229 nan 4.420 nan 0.000 0.215 183 P C 1.327 178.165 177.300 -0.771 0.000 1.153 183 P CA 1.276 63.924 63.100 -0.753 0.000 0.853 183 P CB -0.171 30.706 31.700 -1.372 0.000 0.788 184 Q N 0.060 119.467 119.800 -0.655 0.000 2.172 184 Q HA -0.082 4.258 4.340 0.000 0.000 0.200 184 Q C 1.916 177.781 176.000 -0.225 0.000 0.964 184 Q CA 1.317 56.924 55.803 -0.328 0.000 0.855 184 Q CB -0.641 28.008 28.738 -0.148 0.000 0.918 184 Q HN 0.075 nan 8.270 nan 0.000 0.444 185 V N 0.208 119.994 119.914 -0.213 0.000 2.307 185 V HA -0.205 3.915 4.120 0.000 0.000 0.245 185 V C 2.529 178.530 176.094 -0.155 0.000 1.045 185 V CA 1.468 63.681 62.300 -0.145 0.000 1.024 185 V CB -0.471 31.283 31.823 -0.115 0.000 0.651 185 V HN 0.136 nan 8.190 nan 0.000 0.449 186 V N -0.745 119.042 119.914 -0.212 0.000 2.453 186 V HA -0.194 3.927 4.120 0.000 0.000 0.247 186 V C 2.051 177.959 176.094 -0.310 0.000 1.048 186 V CA 2.117 64.281 62.300 -0.226 0.000 1.049 186 V CB -0.448 31.226 31.823 -0.247 0.000 0.672 186 V HN 0.474 nan 8.190 nan 0.000 0.457 187 M N -1.349 118.009 119.600 -0.404 0.000 2.367 187 M HA 0.364 4.844 4.480 0.000 0.000 0.256 187 M C 1.479 177.674 176.300 -0.175 0.000 1.091 187 M CA 0.738 55.737 55.300 -0.502 0.000 1.049 187 M CB 0.553 32.744 32.600 -0.681 0.000 1.406 187 M HN 0.459 nan 8.290 nan 0.000 0.498 188 G N 1.709 110.428 108.800 -0.134 0.000 2.611 188 G HA2 -0.403 3.557 3.960 0.000 0.000 0.301 188 G HA3 -0.403 3.557 3.960 0.000 0.000 0.301 188 G C 0.842 175.701 174.900 -0.067 0.000 1.233 188 G CA 0.920 45.982 45.100 -0.063 0.000 0.993 188 G HN 0.531 nan 8.290 nan 0.000 0.553 189 S N -0.629 115.056 115.700 -0.027 0.000 2.469 189 S HA 0.045 4.515 4.470 0.000 0.000 0.238 189 S C 2.215 176.641 174.600 -0.291 0.000 0.998 189 S CA 1.992 60.127 58.200 -0.108 0.000 0.957 189 S CB -0.146 63.090 63.200 0.059 0.000 0.764 189 S HN 1.006 nan 8.310 nan 0.000 0.514 190 S N 0.251 115.912 115.700 -0.065 0.000 2.481 190 S HA 0.089 4.559 4.470 0.000 0.000 0.231 190 S C 0.248 174.836 174.600 -0.019 0.000 0.996 190 S CA 0.058 58.274 58.200 0.027 0.000 0.942 190 S CB -0.417 62.939 63.200 0.259 0.000 0.768 190 S HN 0.716 nan 8.310 nan 0.000 0.520 191 Y N 2.808 122.956 120.300 -0.254 0.000 2.539 191 Y HA 0.457 5.008 4.550 0.000 0.000 0.352 191 Y C 1.262 176.923 175.900 -0.397 0.000 1.004 191 Y CA -1.417 56.508 58.100 -0.292 0.000 1.278 191 Y CB 0.029 38.317 38.460 -0.287 0.000 1.136 191 Y HN 0.051 nan 8.280 nan 0.000 0.528 192 G N 4.488 112.841 108.800 -0.745 0.000 2.432 192 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 192 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 192 G C 1.044 175.405 174.900 -0.899 0.000 1.135 192 G CA 0.393 45.071 45.100 -0.702 0.000 0.767 192 G HN 0.644 nan 8.290 nan 0.000 0.550 193 F N 1.207 120.410 119.950 -1.245 0.000 2.748 193 F HA 0.076 4.603 4.527 0.000 0.000 0.299 193 F C 2.792 178.323 175.800 -0.448 0.000 1.154 193 F CA 0.775 58.163 58.000 -1.020 0.000 1.446 193 F CB -0.011 38.389 39.000 -1.000 0.000 1.112 193 F HN 0.351 nan 8.300 nan 0.000 0.584 194 Q N -0.622 118.914 119.800 -0.440 0.000 2.472 194 Q HA -0.093 4.247 4.340 0.000 0.000 0.208 194 Q C -0.655 175.256 176.000 -0.149 0.000 0.958 194 Q CA 0.820 56.485 55.803 -0.230 0.000 0.932 194 Q CB -0.297 28.215 28.738 -0.375 0.000 1.007 194 Q HN 0.281 nan 8.270 nan 0.000 0.508 195 Y N 1.793 122.125 120.300 0.053 0.000 2.341 195 Y HA 0.302 4.852 4.550 0.000 0.000 0.337 195 Y C 0.518 176.335 175.900 -0.138 0.000 1.014 195 Y CA -1.513 56.566 58.100 -0.034 0.000 1.111 195 Y CB 1.553 39.944 38.460 -0.114 0.000 1.194 195 Y HN 0.102 nan 8.280 nan 0.000 0.462 196 S N 2.923 118.422 115.700 -0.335 0.000 2.596 196 S HA 0.174 4.644 4.470 0.000 0.000 0.260 196 S C -1.956 172.340 174.600 -0.506 0.000 1.336 196 S CA -0.932 56.581 58.200 -1.146 0.000 0.993 196 S CB 1.057 63.689 63.200 -0.948 0.000 0.923 196 S HN 0.437 nan 8.310 nan 0.000 0.567 197 P HA -0.007 nan 4.420 nan 0.000 0.216 197 P C 1.711 178.944 177.300 -0.111 0.000 1.153 197 P CA 1.736 64.724 63.100 -0.186 0.000 0.858 197 P CB -0.528 31.100 31.700 -0.119 0.000 0.789 198 G N -0.391 108.327 108.800 -0.138 0.000 2.422 198 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 198 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 198 G C 1.523 176.370 174.900 -0.087 0.000 1.146 198 G CA 0.546 45.608 45.100 -0.062 0.000 0.769 198 G HN 0.312 nan 8.290 nan 0.000 0.547 199 Q N -0.509 119.218 119.800 -0.122 0.000 2.119 199 Q HA 0.016 4.356 4.340 0.000 0.000 0.201 199 Q C 2.590 178.416 176.000 -0.291 0.000 0.972 199 Q CA 0.812 56.544 55.803 -0.118 0.000 0.847 199 Q CB -0.130 28.626 28.738 0.030 0.000 0.903 199 Q HN 0.441 nan 8.270 nan 0.000 0.433 200 R N 0.470 120.831 120.500 -0.230 0.000 2.073 200 R HA -0.145 4.195 4.340 0.000 0.000 0.234 200 R C 2.093 178.294 176.300 -0.164 0.000 1.134 200 R CA 1.324 57.274 56.100 -0.251 0.000 0.952 200 R CB -0.161 30.098 30.300 -0.068 0.000 0.850 200 R HN 0.103 nan 8.270 nan 0.000 0.433 201 V N 1.292 121.138 119.914 -0.113 0.000 2.287 201 V HA -0.253 3.868 4.120 0.000 0.000 0.248 201 V C 2.357 178.370 176.094 -0.135 0.000 1.053 201 V CA 2.273 64.513 62.300 -0.100 0.000 1.027 201 V CB -0.616 31.186 31.823 -0.035 0.000 0.646 201 V HN 0.497 nan 8.190 nan 0.000 0.447 202 E N -0.452 119.677 120.200 -0.119 0.000 2.085 202 E HA -0.276 4.074 4.350 0.000 0.000 0.194 202 E C 2.099 178.620 176.600 -0.131 0.000 0.994 202 E CA 1.690 58.023 56.400 -0.112 0.000 0.801 202 E CB -0.210 29.446 29.700 -0.073 0.000 0.743 202 E HN 0.556 nan 8.360 nan 0.000 0.453 203 F N 1.121 120.870 119.950 -0.335 0.000 2.102 203 F HA -0.156 4.371 4.527 0.000 0.000 0.298 203 F C 1.891 177.563 175.800 -0.212 0.000 1.105 203 F CA 1.395 59.193 58.000 -0.336 0.000 1.239 203 F CB -0.242 38.375 39.000 -0.638 0.000 0.991 203 F HN -0.001 nan 8.300 nan 0.000 0.474 204 L N -0.782 120.277 121.223 -0.274 0.000 2.017 204 L HA -0.222 4.118 4.340 0.000 0.000 0.208 204 L C 2.391 179.103 176.870 -0.264 0.000 1.073 204 L CA 1.118 55.787 54.840 -0.286 0.000 0.745 204 L CB -0.964 40.988 42.059 -0.178 0.000 0.894 204 L HN -0.001 nan 8.230 nan 0.000 0.432 205 V N 0.072 119.819 119.914 -0.278 0.000 2.295 205 V HA -0.262 3.858 4.120 0.000 0.000 0.246 205 V C 2.222 178.196 176.094 -0.199 0.000 1.049 205 V CA 1.866 63.985 62.300 -0.302 0.000 1.024 205 V CB -0.671 30.849 31.823 -0.504 0.000 0.648 205 V HN 0.472 nan 8.190 nan 0.000 0.447 206 N N -0.023 118.546 118.700 -0.218 0.000 2.166 206 N HA -0.129 4.611 4.740 0.000 0.000 0.186 206 N C 1.893 177.283 175.510 -0.199 0.000 1.019 206 N CA 1.834 54.780 53.050 -0.175 0.000 0.856 206 N CB -0.568 37.833 38.487 -0.144 0.000 0.993 206 N HN 0.459 nan 8.380 nan 0.000 0.426 207 T N 0.255 114.613 114.554 -0.326 0.000 2.737 207 T HA -0.127 4.223 4.350 0.000 0.000 0.265 207 T C 1.501 176.114 174.700 -0.145 0.000 1.038 207 T CA 0.574 62.477 62.100 -0.329 0.000 1.144 207 T CB -0.205 68.303 68.868 -0.600 0.000 0.866 207 T HN 0.415 nan 8.240 nan 0.000 0.434 208 W N 2.218 123.355 121.300 -0.271 0.000 2.335 208 W HA -0.110 4.550 4.660 0.000 0.000 0.311 208 W C 1.905 178.335 176.519 -0.148 0.000 1.213 208 W CA 1.246 58.476 57.345 -0.192 0.000 1.274 208 W CB -0.169 29.173 29.460 -0.196 0.000 1.148 208 W HN 0.251 nan 8.180 nan 0.000 0.498 209 K N 0.216 120.624 120.400 0.013 0.000 2.283 209 K HA -0.139 4.181 4.320 0.000 0.000 0.202 209 K C 2.128 178.668 176.600 -0.100 0.000 1.048 209 K CA 1.628 57.887 56.287 -0.046 0.000 0.948 209 K CB -0.276 32.205 32.500 -0.032 0.000 0.742 209 K HN 0.059 nan 8.250 nan 0.000 0.458 210 S N 0.452 116.080 115.700 -0.121 0.000 2.522 210 S HA 0.007 4.477 4.470 0.000 0.000 0.227 210 S C 0.481 175.003 174.600 -0.131 0.000 0.986 210 S CA 0.277 58.410 58.200 -0.112 0.000 0.929 210 S CB 0.064 63.199 63.200 -0.108 0.000 0.769 210 S HN -0.041 nan 8.310 nan 0.000 0.529 211 K N 1.773 122.057 120.400 -0.193 0.000 2.143 211 K HA 0.379 4.700 4.320 0.000 0.000 0.272 211 K C 0.640 177.126 176.600 -0.190 0.000 1.001 211 K CA -0.663 55.497 56.287 -0.211 0.000 0.915 211 K CB 0.929 33.240 32.500 -0.316 0.000 1.047 211 K HN 0.001 nan 8.250 nan 0.000 0.458 212 K N 1.272 121.587 120.400 -0.141 0.000 1.985 212 K HA -0.073 4.247 4.320 0.000 0.000 0.210 212 K C 0.151 176.672 176.600 -0.132 0.000 1.047 212 K CA 1.277 57.498 56.287 -0.110 0.000 0.932 212 K CB 0.099 32.552 32.500 -0.079 0.000 0.716 212 K HN 0.526 nan 8.250 nan 0.000 0.439 213 N N 1.478 120.088 118.700 -0.150 0.000 2.746 213 N HA 0.216 4.956 4.740 0.000 0.000 0.250 213 N C -2.756 172.615 175.510 -0.232 0.000 1.146 213 N CA -1.107 51.853 53.050 -0.151 0.000 0.828 213 N CB 1.914 40.349 38.487 -0.085 0.000 1.158 213 N HN 0.049 nan 8.380 nan 0.000 0.519 214 P HA 0.118 nan 4.420 nan 0.000 0.271 214 P C -0.258 176.703 177.300 -0.566 0.000 1.216 214 P CA -0.198 62.410 63.100 -0.821 0.000 0.776 214 P CB 1.198 31.747 31.700 -1.918 0.000 0.881 215 M N 2.290 121.652 119.600 -0.397 0.000 2.518 215 M HA 0.688 5.168 4.480 0.000 0.000 0.300 215 M C -1.069 175.195 176.300 -0.061 0.000 1.175 215 M CA -0.392 54.801 55.300 -0.178 0.000 0.890 215 M CB 2.564 35.133 32.600 -0.053 0.000 1.710 215 M HN 0.561 nan 8.290 nan 0.000 0.453 216 G N 3.183 112.059 108.800 0.127 0.000 2.660 216 G HA2 0.820 4.780 3.960 0.000 0.000 0.294 216 G HA3 0.820 4.780 3.960 0.000 0.000 0.294 216 G C -1.999 172.992 174.900 0.151 0.000 1.369 216 G CA -0.627 44.571 45.100 0.164 0.000 0.912 216 G HN 0.822 nan 8.290 nan 0.000 0.479 217 F N -0.506 119.409 119.950 -0.057 0.000 2.668 217 F HA 0.812 5.340 4.527 0.000 0.000 0.309 217 F C -0.290 175.493 175.800 -0.029 0.000 1.117 217 F CA -1.414 56.547 58.000 -0.065 0.000 0.951 217 F CB 1.507 40.452 39.000 -0.091 0.000 1.323 217 F HN 0.648 nan 8.300 nan 0.000 0.451 218 S N 1.029 116.800 115.700 0.119 0.000 2.509 218 S HA 0.614 5.085 4.470 0.000 0.000 0.297 218 S C -1.594 173.192 174.600 0.309 0.000 1.118 218 S CA -0.582 57.664 58.200 0.077 0.000 1.074 218 S CB 1.556 64.782 63.200 0.044 0.000 1.038 218 S HN 0.853 nan 8.310 nan 0.000 0.498 219 Y N 1.678 122.085 120.300 0.178 0.000 2.334 219 Y HA 0.432 4.982 4.550 0.000 0.000 0.336 219 Y C -0.757 175.268 175.900 0.208 0.000 0.960 219 Y CA -0.778 57.499 58.100 0.296 0.000 1.164 219 Y CB 1.211 39.956 38.460 0.475 0.000 1.155 219 Y HN 0.840 nan 8.280 nan 0.000 0.478 220 D N 4.530 124.780 120.400 -0.251 0.000 2.428 220 D HA 0.184 4.824 4.640 0.000 0.000 0.221 220 D C -0.697 175.451 176.300 -0.254 0.000 1.123 220 D CA -0.053 53.856 54.000 -0.153 0.000 0.869 220 D CB 0.788 41.525 40.800 -0.105 0.000 1.032 220 D HN 0.474 nan 8.370 nan 0.000 0.506 221 T N 3.990 118.570 114.554 0.044 0.000 2.851 221 T HA 0.112 4.462 4.350 0.000 0.000 0.298 221 T C 0.494 175.283 174.700 0.148 0.000 0.977 221 T CA -0.481 61.734 62.100 0.193 0.000 1.126 221 T CB 0.683 69.889 68.868 0.563 0.000 0.916 221 T HN 0.281 nan 8.240 nan 0.000 0.529 222 R N 2.459 123.004 120.500 0.075 0.000 2.404 222 R HA 0.101 4.441 4.340 0.000 0.000 0.315 222 R C -0.223 176.167 176.300 0.150 0.000 1.032 222 R CA -0.196 55.941 56.100 0.060 0.000 0.992 222 R CB -0.646 29.634 30.300 -0.035 0.000 0.959 222 R HN 0.961 nan 8.270 nan 0.000 0.428 223 C N 5.520 124.943 119.300 0.205 0.000 3.896 223 C HA -0.165 4.295 4.460 0.000 0.000 0.300 223 C C 1.347 176.547 174.990 0.351 0.000 1.322 223 C CA 0.176 59.371 59.018 0.295 0.000 2.130 223 C CB -3.108 24.864 27.740 0.387 0.000 1.363 223 C HN 1.029 nan 8.230 nan 0.000 0.642 224 F N 1.945 122.014 119.950 0.198 0.000 2.087 224 F HA -0.219 4.308 4.527 0.000 0.000 0.299 224 F C 1.971 177.887 175.800 0.192 0.000 1.100 224 F CA 2.493 60.611 58.000 0.196 0.000 1.226 224 F CB 0.012 39.115 39.000 0.172 0.000 0.983 224 F HN 0.458 nan 8.300 nan 0.000 0.479 225 D N -0.530 120.113 120.400 0.405 0.000 2.149 225 D HA -0.159 4.481 4.640 0.000 0.000 0.198 225 D C 2.416 178.792 176.300 0.127 0.000 0.990 225 D CA 1.658 55.822 54.000 0.275 0.000 0.839 225 D CB -0.493 40.468 40.800 0.267 0.000 0.948 225 D HN 0.253 nan 8.370 nan 0.000 0.460 226 S N -0.540 115.260 115.700 0.167 0.000 2.489 226 S HA -0.081 4.389 4.470 0.000 0.000 0.228 226 S C 2.010 176.605 174.600 -0.008 0.000 0.995 226 S CA 1.196 59.417 58.200 0.035 0.000 0.934 226 S CB -0.110 63.129 63.200 0.064 0.000 0.771 226 S HN 0.511 nan 8.310 nan 0.000 0.522 227 T N -0.434 114.193 114.554 0.122 0.000 3.055 227 T HA 0.124 4.474 4.350 0.000 0.000 0.265 227 T C 0.616 175.256 174.700 -0.100 0.000 1.111 227 T CA 0.069 62.217 62.100 0.080 0.000 1.118 227 T CB -0.380 68.484 68.868 -0.007 0.000 0.909 227 T HN 0.030 nan 8.240 nan 0.000 0.501 228 V N 3.893 123.711 119.914 -0.159 0.000 2.470 228 V HA 0.347 4.467 4.120 0.000 0.000 0.276 228 V C 1.063 177.108 176.094 -0.082 0.000 1.040 228 V CA -0.265 61.955 62.300 -0.135 0.000 1.008 228 V CB 0.348 32.127 31.823 -0.072 0.000 0.990 228 V HN 0.724 nan 8.190 nan 0.000 0.477 229 T N 0.757 115.274 114.554 -0.063 0.000 2.923 229 T HA 0.343 4.693 4.350 0.000 0.000 0.281 229 T C 1.036 175.718 174.700 -0.030 0.000 0.995 229 T CA -0.360 61.708 62.100 -0.053 0.000 0.985 229 T CB 1.558 70.387 68.868 -0.065 0.000 1.114 229 T HN 0.668 nan 8.240 nan 0.000 0.548 230 E N 0.553 120.743 120.200 -0.018 0.000 2.097 230 E HA -0.311 4.039 4.350 0.000 0.000 0.196 230 E C 1.937 178.539 176.600 0.003 0.000 1.000 230 E CA 1.849 58.252 56.400 0.004 0.000 0.804 230 E CB -0.261 29.450 29.700 0.019 0.000 0.740 230 E HN 0.756 nan 8.360 nan 0.000 0.454 231 N N 0.700 119.392 118.700 -0.014 0.000 2.036 231 N HA -0.218 4.522 4.740 0.000 0.000 0.195 231 N C 1.456 176.973 175.510 0.012 0.000 1.037 231 N CA 2.274 55.318 53.050 -0.009 0.000 0.855 231 N CB -0.202 38.260 38.487 -0.042 0.000 1.033 231 N HN 0.163 nan 8.380 nan 0.000 0.423 232 D N -0.071 120.334 120.400 0.008 0.000 2.123 232 D HA -0.120 4.520 4.640 0.000 0.000 0.196 232 D C 1.997 178.305 176.300 0.013 0.000 0.992 232 D CA 1.075 55.092 54.000 0.030 0.000 0.833 232 D CB -0.280 40.530 40.800 0.017 0.000 0.954 232 D HN 0.474 nan 8.370 nan 0.000 0.455 233 I N 0.490 121.069 120.570 0.015 0.000 2.353 233 I HA -0.165 4.005 4.170 0.000 0.000 0.248 233 I C 2.466 178.591 176.117 0.014 0.000 1.119 233 I CA 0.776 62.092 61.300 0.027 0.000 1.417 233 I CB -0.056 37.983 38.000 0.065 0.000 1.078 233 I HN -0.117 nan 8.210 nan 0.000 0.421 234 R N 0.148 120.656 120.500 0.013 0.000 2.092 234 R HA -0.078 4.262 4.340 0.000 0.000 0.231 234 R C 2.347 178.628 176.300 -0.033 0.000 1.119 234 R CA 1.028 57.130 56.100 0.004 0.000 0.970 234 R CB -0.426 29.882 30.300 0.012 0.000 0.864 234 R HN 0.189 nan 8.270 nan 0.000 0.440 235 V N 1.601 121.498 119.914 -0.029 0.000 2.287 235 V HA -0.275 3.845 4.120 0.000 0.000 0.248 235 V C 1.981 177.981 176.094 -0.158 0.000 1.053 235 V CA 1.948 64.215 62.300 -0.055 0.000 1.027 235 V CB -0.471 31.355 31.823 0.005 0.000 0.646 235 V HN 0.356 nan 8.190 nan 0.000 0.447 236 E N -0.353 119.724 120.200 -0.204 0.000 2.070 236 E HA -0.286 4.064 4.350 0.000 0.000 0.197 236 E C 2.383 178.508 176.600 -0.791 0.000 1.004 236 E CA 1.551 57.667 56.400 -0.472 0.000 0.805 236 E CB -0.235 29.233 29.700 -0.385 0.000 0.744 236 E HN 0.571 nan 8.360 nan 0.000 0.451 237 E N 0.590 120.552 120.200 -0.398 0.000 2.077 237 E HA -0.198 4.152 4.350 0.000 0.000 0.193 237 E C 2.167 178.691 176.600 -0.126 0.000 0.989 237 E CA 1.544 57.838 56.400 -0.176 0.000 0.800 237 E CB -0.020 29.713 29.700 0.054 0.000 0.746 237 E HN 0.257 nan 8.360 nan 0.000 0.452 238 S N 0.270 115.896 115.700 -0.123 0.000 2.399 238 S HA -0.145 4.325 4.470 0.000 0.000 0.231 238 S C 2.151 176.698 174.600 -0.089 0.000 1.022 238 S CA 1.112 59.268 58.200 -0.073 0.000 0.983 238 S CB -0.569 62.596 63.200 -0.058 0.000 0.803 238 S HN 0.277 nan 8.310 nan 0.000 0.480 239 I N 0.132 120.595 120.570 -0.180 0.000 2.233 239 I HA -0.112 4.058 4.170 0.000 0.000 0.243 239 I C 2.338 178.437 176.117 -0.031 0.000 1.093 239 I CA 1.213 62.427 61.300 -0.143 0.000 1.380 239 I CB -0.528 37.351 38.000 -0.202 0.000 1.067 239 I HN 0.198 nan 8.210 nan 0.000 0.413 240 Y N 1.090 121.382 120.300 -0.014 0.000 2.165 240 Y HA -0.237 4.313 4.550 0.000 0.000 0.286 240 Y C 2.617 178.518 175.900 0.002 0.000 1.155 240 Y CA 0.765 58.861 58.100 -0.006 0.000 1.164 240 Y CB -1.083 37.388 38.460 0.018 0.000 0.978 240 Y HN 0.252 nan 8.280 nan 0.000 0.513 241 Q N -1.262 118.627 119.800 0.149 0.000 2.436 241 Q HA -0.095 4.245 4.340 0.000 0.000 0.209 241 Q C 2.298 178.329 176.000 0.051 0.000 0.965 241 Q CA 0.821 56.678 55.803 0.089 0.000 0.910 241 Q CB -0.726 28.049 28.738 0.062 0.000 0.980 241 Q HN 0.525 nan 8.270 nan 0.000 0.491 242 C N 0.313 119.636 119.300 0.037 0.000 2.432 242 C HA -0.061 4.399 4.460 0.000 0.000 0.280 242 C C 1.633 176.637 174.990 0.022 0.000 1.353 242 C CA -0.582 58.446 59.018 0.018 0.000 1.766 242 C CB -0.737 27.003 27.740 -0.001 0.000 1.924 242 C HN 0.417 nan 8.230 nan 0.000 0.509 243 C N 1.829 121.152 119.300 0.038 0.000 2.700 243 C HA 0.124 4.584 4.460 0.000 0.000 0.397 243 C C 0.579 175.586 174.990 0.027 0.000 1.301 243 C CA -0.231 58.805 59.018 0.029 0.000 2.219 243 C CB -0.252 27.511 27.740 0.038 0.000 2.699 243 C HN 0.498 nan 8.230 nan 0.000 0.669 244 D N 1.822 122.233 120.400 0.019 0.000 2.344 244 D HA 0.420 5.060 4.640 0.000 0.000 0.253 244 D C -0.620 175.696 176.300 0.026 0.000 1.255 244 D CA 0.389 54.401 54.000 0.020 0.000 0.894 244 D CB -0.030 40.778 40.800 0.013 0.000 1.067 244 D HN 0.382 nan 8.370 nan 0.000 0.492 245 L N 2.100 123.343 121.223 0.034 0.000 2.354 245 L HA 0.638 4.978 4.340 0.000 0.000 0.264 245 L C 0.403 177.301 176.870 0.048 0.000 1.008 245 L CA -1.434 53.433 54.840 0.045 0.000 0.819 245 L CB 1.869 43.962 42.059 0.056 0.000 1.339 245 L HN 0.318 nan 8.230 nan 0.000 0.420 246 A N 2.198 125.053 122.820 0.058 0.000 2.483 246 A HA 0.310 4.630 4.320 0.000 0.000 0.238 246 A C -1.786 175.840 177.584 0.071 0.000 1.070 246 A CA -0.781 51.295 52.037 0.064 0.000 0.770 246 A CB -0.153 18.894 19.000 0.078 0.000 1.008 246 A HN 0.636 nan 8.150 nan 0.000 0.497 247 P HA -0.179 nan 4.420 nan 0.000 0.216 247 P C 1.106 178.443 177.300 0.062 0.000 1.153 247 P CA 1.643 64.773 63.100 0.051 0.000 0.858 247 P CB 0.181 31.905 31.700 0.041 0.000 0.789 248 E N -0.821 119.442 120.200 0.106 0.000 2.106 248 E HA -0.130 4.220 4.350 0.000 0.000 0.192 248 E C 2.060 178.757 176.600 0.161 0.000 0.984 248 E CA 1.005 57.493 56.400 0.147 0.000 0.806 248 E CB -0.421 29.463 29.700 0.307 0.000 0.750 248 E HN 0.150 nan 8.360 nan 0.000 0.458 249 A N 1.579 124.519 122.820 0.199 0.000 1.902 249 A HA -0.200 4.120 4.320 0.000 0.000 0.217 249 A C 2.045 179.683 177.584 0.090 0.000 1.181 249 A CA 1.208 53.358 52.037 0.188 0.000 0.623 249 A CB -0.373 18.725 19.000 0.163 0.000 0.818 249 A HN 0.097 nan 8.150 nan 0.000 0.443 250 R N -1.017 119.521 120.500 0.064 0.000 2.091 250 R HA -0.203 4.138 4.340 0.000 0.000 0.238 250 R C 2.489 178.793 176.300 0.005 0.000 1.136 250 R CA 1.748 57.874 56.100 0.043 0.000 0.959 250 R CB -0.347 29.975 30.300 0.036 0.000 0.856 250 R HN 0.664 nan 8.270 nan 0.000 0.437 251 Q N 0.836 120.619 119.800 -0.028 0.000 2.046 251 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 251 Q C 2.020 177.927 176.000 -0.154 0.000 0.975 251 Q CA 1.987 57.739 55.803 -0.085 0.000 0.836 251 Q CB -0.272 28.405 28.738 -0.103 0.000 0.896 251 Q HN 0.331 nan 8.270 nan 0.000 0.428 252 A N 0.158 122.836 122.820 -0.237 0.000 1.940 252 A HA -0.155 4.165 4.320 0.000 0.000 0.219 252 A C 2.126 179.619 177.584 -0.152 0.000 1.176 252 A CA 1.577 53.397 52.037 -0.361 0.000 0.631 252 A CB -0.751 17.868 19.000 -0.635 0.000 0.814 252 A HN 0.503 nan 8.150 nan 0.000 0.446 253 I N -0.770 119.782 120.570 -0.029 0.000 2.286 253 I HA -0.220 3.950 4.170 0.000 0.000 0.245 253 I C 2.525 178.678 176.117 0.060 0.000 1.104 253 I CA 1.633 62.973 61.300 0.065 0.000 1.397 253 I CB -0.215 37.860 38.000 0.125 0.000 1.072 253 I HN 0.374 nan 8.210 nan 0.000 0.417 254 K N 0.551 120.962 120.400 0.019 0.000 2.026 254 K HA -0.220 4.100 4.320 0.000 0.000 0.208 254 K C 2.363 178.939 176.600 -0.038 0.000 1.048 254 K CA 1.919 58.210 56.287 0.007 0.000 0.929 254 K CB -0.120 32.374 32.500 -0.010 0.000 0.713 254 K HN 0.113 nan 8.250 nan 0.000 0.439 255 S N 0.732 116.377 115.700 -0.092 0.000 2.348 255 S HA -0.083 4.387 4.470 0.000 0.000 0.221 255 S C 1.980 176.481 174.600 -0.165 0.000 1.033 255 S CA 1.152 59.275 58.200 -0.129 0.000 1.010 255 S CB -0.244 62.848 63.200 -0.181 0.000 0.891 255 S HN 0.344 nan 8.310 nan 0.000 0.442 256 L N 0.767 121.861 121.223 -0.216 0.000 2.131 256 L HA -0.099 4.241 4.340 0.000 0.000 0.210 256 L C 2.688 179.243 176.870 -0.525 0.000 1.092 256 L CA 1.415 56.006 54.840 -0.416 0.000 0.759 256 L CB -0.891 40.885 42.059 -0.473 0.000 0.903 256 L HN 0.343 nan 8.230 nan 0.000 0.435 257 T N -1.071 113.382 114.554 -0.169 0.000 2.737 257 T HA -0.139 4.211 4.350 0.000 0.000 0.265 257 T C 1.788 176.485 174.700 -0.005 0.000 1.038 257 T CA 1.104 63.233 62.100 0.047 0.000 1.144 257 T CB -0.083 68.891 68.868 0.177 0.000 0.866 257 T HN 0.291 nan 8.240 nan 0.000 0.434 258 E N 1.144 121.325 120.200 -0.033 0.000 2.106 258 E HA -0.034 4.316 4.350 0.000 0.000 0.192 258 E C 2.352 178.928 176.600 -0.040 0.000 0.984 258 E CA 1.000 57.386 56.400 -0.023 0.000 0.806 258 E CB -0.116 29.567 29.700 -0.027 0.000 0.750 258 E HN 0.451 nan 8.360 nan 0.000 0.458 259 R N -0.625 119.821 120.500 -0.090 0.000 2.206 259 R HA 0.110 4.450 4.340 0.000 0.000 0.198 259 R C 1.870 178.107 176.300 -0.105 0.000 0.986 259 R CA 0.249 56.299 56.100 -0.084 0.000 1.029 259 R CB 0.274 30.514 30.300 -0.099 0.000 0.966 259 R HN 0.043 nan 8.270 nan 0.000 0.487 260 L N -2.056 119.059 121.223 -0.180 0.000 2.691 260 L HA 0.186 4.526 4.340 0.000 0.000 0.185 260 L C 1.295 178.142 176.870 -0.040 0.000 1.081 260 L CA 0.803 55.538 54.840 -0.176 0.000 0.865 260 L CB -0.300 41.566 42.059 -0.320 0.000 1.370 260 L HN -0.122 nan 8.230 nan 0.000 0.488 261 Y N 0.438 120.752 120.300 0.024 0.000 2.181 261 Y HA -0.061 4.489 4.550 0.000 0.000 0.288 261 Y C 2.546 178.451 175.900 0.009 0.000 1.146 261 Y CA 1.467 59.589 58.100 0.036 0.000 1.164 261 Y CB -0.940 37.568 38.460 0.079 0.000 0.982 261 Y HN 0.132 nan 8.280 nan 0.000 0.515 262 I N -0.996 119.657 120.570 0.138 0.000 2.394 262 I HA -0.016 4.154 4.170 0.000 0.000 0.251 262 I C 1.208 177.333 176.117 0.013 0.000 1.136 262 I CA 1.242 62.584 61.300 0.070 0.000 1.425 262 I CB -0.329 37.706 38.000 0.057 0.000 1.079 262 I HN 0.292 nan 8.210 nan 0.000 0.425 263 G N -0.989 107.797 108.800 -0.024 0.000 2.320 263 G HA2 0.488 4.448 3.960 0.000 0.000 0.297 263 G HA3 0.488 4.448 3.960 0.000 0.000 0.297 263 G C -1.012 173.721 174.900 -0.278 0.000 1.344 263 G CA -0.158 44.853 45.100 -0.148 0.000 0.851 263 G HN 0.392 nan 8.290 nan 0.000 0.567 264 G N -0.938 107.398 108.800 -0.773 0.000 2.321 264 G HA2 0.684 4.644 3.960 0.000 0.000 0.298 264 G HA3 0.684 4.644 3.960 0.000 0.000 0.298 264 G C -3.486 170.781 174.900 -1.055 0.000 1.385 264 G CA 0.084 44.684 45.100 -0.834 0.000 0.856 264 G HN 0.776 nan 8.290 nan 0.000 0.584 265 P HA 0.489 nan 4.420 nan 0.000 0.274 265 P C -0.552 176.663 177.300 -0.142 0.000 1.231 265 P CA -0.201 62.792 63.100 -0.178 0.000 0.790 265 P CB 1.223 32.951 31.700 0.047 0.000 0.951 266 L N 2.012 123.200 121.223 -0.058 0.000 2.333 266 L HA 0.476 4.816 4.340 0.000 0.000 0.280 266 L C 0.309 177.190 176.870 0.018 0.000 1.004 266 L CA -0.219 54.612 54.840 -0.014 0.000 0.820 266 L CB 1.857 43.955 42.059 0.065 0.000 1.247 266 L HN 0.273 nan 8.230 nan 0.000 0.416 267 T N 1.553 116.094 114.554 -0.023 0.000 2.848 267 T HA 0.312 4.662 4.350 0.000 0.000 0.285 267 T C -0.243 174.438 174.700 -0.032 0.000 0.995 267 T CA -0.826 61.262 62.100 -0.020 0.000 0.970 267 T CB 1.456 70.296 68.868 -0.045 0.000 0.976 267 T HN 0.651 nan 8.240 nan 0.000 0.441 268 N N 0.955 119.653 118.700 -0.003 0.000 2.327 268 N HA 0.098 4.838 4.740 0.000 0.000 0.257 268 N C 1.448 176.948 175.510 -0.017 0.000 1.281 268 N CA -0.237 52.811 53.050 -0.004 0.000 0.942 268 N CB 0.180 38.674 38.487 0.012 0.000 1.199 268 N HN 0.453 nan 8.380 nan 0.000 0.532 269 S N -1.272 114.426 115.700 -0.002 0.000 2.500 269 S HA -0.081 4.389 4.470 0.000 0.000 0.239 269 S C 0.923 175.519 174.600 -0.006 0.000 0.989 269 S CA 0.650 58.851 58.200 0.002 0.000 0.951 269 S CB -0.420 62.795 63.200 0.025 0.000 0.759 269 S HN 0.637 nan 8.310 nan 0.000 0.523 270 K N 0.448 120.844 120.400 -0.006 0.000 2.374 270 K HA 0.296 4.616 4.320 0.000 0.000 0.196 270 K C 1.168 177.760 176.600 -0.013 0.000 1.023 270 K CA 0.346 56.628 56.287 -0.008 0.000 1.103 270 K CB 0.083 32.582 32.500 -0.001 0.000 0.848 270 K HN 0.514 nan 8.250 nan 0.000 0.528 271 G N 1.774 110.563 108.800 -0.019 0.000 2.157 271 G HA2 -0.289 3.671 3.960 0.000 0.000 0.248 271 G HA3 -0.289 3.671 3.960 0.000 0.000 0.248 271 G C -0.237 174.659 174.900 -0.007 0.000 0.979 271 G CA -0.096 44.990 45.100 -0.022 0.000 0.650 271 G HN 0.348 nan 8.290 nan 0.000 0.529 272 Q N 0.211 120.013 119.800 0.003 0.000 2.259 272 Q HA 0.286 4.626 4.340 0.000 0.000 0.249 272 Q C 0.434 176.452 176.000 0.030 0.000 0.914 272 Q CA -0.555 55.258 55.803 0.017 0.000 0.904 272 Q CB 0.916 29.666 28.738 0.021 0.000 1.213 272 Q HN 0.390 nan 8.270 nan 0.000 0.428 273 N N 1.850 120.575 118.700 0.041 0.000 2.427 273 N HA -0.035 4.705 4.740 0.000 0.000 0.269 273 N C -0.128 175.438 175.510 0.094 0.000 1.235 273 N CA -0.311 52.776 53.050 0.062 0.000 0.934 273 N CB 0.520 39.045 38.487 0.063 0.000 1.121 273 N HN 0.621 nan 8.380 nan 0.000 0.480 274 C N 3.001 122.376 119.300 0.125 0.000 2.512 274 C HA 0.338 4.798 4.460 0.000 0.000 0.276 274 C C 1.292 176.475 174.990 0.322 0.000 1.368 274 C CA 0.687 59.833 59.018 0.214 0.000 1.755 274 C CB -1.087 26.799 27.740 0.244 0.000 2.008 274 C HN 0.962 nan 8.230 nan 0.000 0.511 275 G N -1.721 107.199 108.800 0.200 0.000 2.373 275 G HA2 0.276 4.236 3.960 0.000 0.000 0.250 275 G HA3 0.276 4.236 3.960 0.000 0.000 0.250 275 G C -2.099 172.845 174.900 0.074 0.000 1.304 275 G CA -0.418 44.754 45.100 0.119 0.000 0.948 275 G HN 0.040 nan 8.290 nan 0.000 0.474 276 Y N 0.745 120.933 120.300 -0.186 0.000 2.433 276 Y HA 0.734 5.284 4.550 0.000 0.000 0.337 276 Y C 0.024 175.784 175.900 -0.233 0.000 1.026 276 Y CA -0.821 57.185 58.100 -0.158 0.000 1.037 276 Y CB 1.891 40.270 38.460 -0.134 0.000 1.245 276 Y HN 0.705 nan 8.280 nan 0.000 0.443 277 R N 5.013 125.223 120.500 -0.484 0.000 2.407 277 R HA 0.541 4.881 4.340 0.000 0.000 0.303 277 R C -0.659 175.404 176.300 -0.395 0.000 0.981 277 R CA -0.533 55.266 56.100 -0.501 0.000 0.905 277 R CB 0.828 30.916 30.300 -0.354 0.000 1.099 277 R HN 0.914 nan 8.270 nan 0.000 0.459 278 R N 3.324 123.591 120.500 -0.388 0.000 2.690 278 R HA 0.208 4.548 4.340 0.000 0.000 0.419 278 R C -0.515 175.642 176.300 -0.238 0.000 1.090 278 R CA -0.350 55.632 56.100 -0.196 0.000 1.064 278 R CB 0.430 30.674 30.300 -0.092 0.000 1.391 278 R HN 0.768 nan 8.270 nan 0.000 0.586 279 C N -1.739 117.366 119.300 -0.325 0.000 3.308 279 C HA 0.623 5.083 4.460 0.000 0.000 0.360 279 C C -0.121 174.799 174.990 -0.117 0.000 1.695 279 C CA -1.530 57.349 59.018 -0.232 0.000 1.366 279 C CB 1.263 28.807 27.740 -0.328 0.000 2.121 279 C HN 0.369 nan 8.230 nan 0.000 0.442 280 R N 1.282 121.765 120.500 -0.029 0.000 2.504 280 R HA 0.432 4.772 4.340 0.000 0.000 0.291 280 R C 0.151 176.499 176.300 0.081 0.000 0.974 280 R CA 1.022 57.155 56.100 0.055 0.000 1.077 280 R CB -0.310 30.062 30.300 0.121 0.000 0.926 280 R HN 1.200 nan 8.270 nan 0.000 0.407 281 A N 3.697 126.580 122.820 0.104 0.000 2.409 281 A HA 0.218 4.538 4.320 0.000 0.000 0.262 281 A C 1.007 178.686 177.584 0.158 0.000 1.113 281 A CA 0.151 52.272 52.037 0.138 0.000 0.790 281 A CB 0.373 19.468 19.000 0.158 0.000 1.046 281 A HN 1.011 nan 8.150 nan 0.000 0.496 282 S N 1.947 117.756 115.700 0.182 0.000 2.496 282 S HA 0.102 4.572 4.470 0.000 0.000 0.224 282 S C 1.059 175.758 174.600 0.165 0.000 0.996 282 S CA 0.670 58.975 58.200 0.176 0.000 0.927 282 S CB 0.085 63.399 63.200 0.189 0.000 0.774 282 S HN 1.259 nan 8.310 nan 0.000 0.524 283 G N 1.946 110.865 108.800 0.199 0.000 4.644 283 G HA2 0.527 4.487 3.960 0.000 0.000 0.307 283 G HA3 0.527 4.487 3.960 0.000 0.000 0.307 283 G C -0.150 174.875 174.900 0.210 0.000 1.331 283 G CA -0.102 45.123 45.100 0.208 0.000 1.059 283 G HN 0.583 nan 8.290 nan 0.000 0.590 284 V N -2.463 117.553 119.914 0.171 0.000 3.113 284 V HA 0.597 4.717 4.120 0.000 0.000 0.316 284 V C 1.340 177.502 176.094 0.114 0.000 1.125 284 V CA -0.947 61.467 62.300 0.189 0.000 1.026 284 V CB 1.693 33.696 31.823 0.300 0.000 1.080 284 V HN 0.071 nan 8.190 nan 0.000 0.444 285 L N 2.120 123.421 121.223 0.131 0.000 2.131 285 L HA -0.029 4.311 4.340 0.000 0.000 0.210 285 L C 2.280 179.151 176.870 0.002 0.000 1.092 285 L CA 3.034 57.932 54.840 0.098 0.000 0.759 285 L CB -0.652 41.493 42.059 0.142 0.000 0.903 285 L HN 1.095 nan 8.230 nan 0.000 0.435 286 T N -5.999 108.476 114.554 -0.131 0.000 3.129 286 T HA 0.014 4.364 4.350 0.000 0.000 0.251 286 T C 1.555 176.188 174.700 -0.110 0.000 1.117 286 T CA 0.676 62.651 62.100 -0.208 0.000 1.034 286 T CB -0.642 67.930 68.868 -0.494 0.000 0.968 286 T HN 0.245 nan 8.240 nan 0.000 0.526 287 T N 1.943 116.468 114.554 -0.048 0.000 2.652 287 T HA -0.152 4.198 4.350 0.000 0.000 0.267 287 T C 2.207 176.927 174.700 0.033 0.000 1.039 287 T CA 1.792 63.904 62.100 0.020 0.000 1.153 287 T CB -0.615 68.290 68.868 0.062 0.000 0.863 287 T HN 0.546 nan 8.240 nan 0.000 0.428 288 S N -0.258 115.435 115.700 -0.011 0.000 2.345 288 S HA -0.145 4.325 4.470 0.000 0.000 0.220 288 S C 2.457 177.071 174.600 0.023 0.000 1.031 288 S CA 1.414 59.596 58.200 -0.030 0.000 0.996 288 S CB -0.965 62.105 63.200 -0.217 0.000 0.882 288 S HN 0.665 nan 8.310 nan 0.000 0.445 289 C N 1.382 120.668 119.300 -0.022 0.000 2.432 289 C HA 0.078 4.538 4.460 0.000 0.000 0.277 289 C C 2.832 177.872 174.990 0.084 0.000 1.249 289 C CA 1.136 60.163 59.018 0.016 0.000 1.725 289 C CB -1.846 25.868 27.740 -0.043 0.000 2.028 289 C HN 0.723 nan 8.230 nan 0.000 0.477 290 G N 0.576 109.435 108.800 0.099 0.000 2.459 290 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 290 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 290 G C 1.514 176.507 174.900 0.155 0.000 1.183 290 G CA 1.224 46.394 45.100 0.116 0.000 0.776 290 G HN 0.594 nan 8.290 nan 0.000 0.552 291 N N 0.297 119.099 118.700 0.170 0.000 2.120 291 N HA -0.076 4.664 4.740 0.000 0.000 0.188 291 N C 2.418 177.995 175.510 0.112 0.000 1.024 291 N CA 1.623 54.801 53.050 0.213 0.000 0.852 291 N CB -0.735 37.788 38.487 0.060 0.000 1.003 291 N HN 0.264 nan 8.380 nan 0.000 0.424 292 T N 1.508 116.128 114.554 0.110 0.000 2.708 292 T HA 0.001 4.351 4.350 0.000 0.000 0.266 292 T C 2.120 176.906 174.700 0.144 0.000 1.037 292 T CA 0.688 62.867 62.100 0.131 0.000 1.146 292 T CB -0.252 68.760 68.868 0.241 0.000 0.865 292 T HN 0.128 nan 8.240 nan 0.000 0.435 293 L N 0.588 121.874 121.223 0.105 0.000 2.056 293 L HA -0.093 4.247 4.340 0.000 0.000 0.207 293 L C 2.914 179.876 176.870 0.153 0.000 1.078 293 L CA 1.165 56.049 54.840 0.075 0.000 0.749 293 L CB -0.891 41.168 42.059 -0.001 0.000 0.901 293 L HN 0.267 nan 8.230 nan 0.000 0.433 294 T N -1.531 113.139 114.554 0.193 0.000 2.857 294 T HA -0.200 4.150 4.350 0.000 0.000 0.266 294 T C 1.999 176.901 174.700 0.337 0.000 1.048 294 T CA 1.300 63.545 62.100 0.242 0.000 1.139 294 T CB -0.368 68.667 68.868 0.277 0.000 0.874 294 T HN 0.453 nan 8.240 nan 0.000 0.455 295 C N 0.697 120.245 119.300 0.413 0.000 2.446 295 C HA -0.057 4.403 4.460 0.000 0.000 0.277 295 C C 2.386 177.535 174.990 0.265 0.000 1.275 295 C CA 0.395 59.640 59.018 0.378 0.000 1.727 295 C CB -1.360 26.468 27.740 0.146 0.000 2.010 295 C HN 0.660 nan 8.230 nan 0.000 0.486 296 Y N 1.015 121.378 120.300 0.106 0.000 2.242 296 Y HA -0.068 4.482 4.550 0.000 0.000 0.291 296 Y C 2.127 178.048 175.900 0.036 0.000 1.137 296 Y CA 1.977 60.116 58.100 0.066 0.000 1.181 296 Y CB -0.509 37.975 38.460 0.039 0.000 0.989 296 Y HN 0.340 nan 8.280 nan 0.000 0.527 297 L N 1.041 122.365 121.223 0.167 0.000 1.994 297 L HA -0.162 4.178 4.340 0.000 0.000 0.208 297 L C 2.069 178.877 176.870 -0.104 0.000 1.071 297 L CA 2.004 56.831 54.840 -0.022 0.000 0.745 297 L CB -0.855 41.159 42.059 -0.075 0.000 0.892 297 L HN 0.116 nan 8.230 nan 0.000 0.431 298 K N -0.424 119.977 120.400 0.002 0.000 2.097 298 K HA -0.023 4.297 4.320 0.000 0.000 0.205 298 K C 2.073 178.694 176.600 0.035 0.000 1.050 298 K CA 1.219 57.508 56.287 0.004 0.000 0.938 298 K CB -0.361 32.223 32.500 0.139 0.000 0.718 298 K HN 0.493 nan 8.250 nan 0.000 0.442 299 A N 0.992 123.830 122.820 0.031 0.000 1.897 299 A HA -0.100 4.220 4.320 0.000 0.000 0.215 299 A C 2.198 179.811 177.584 0.048 0.000 1.181 299 A CA 1.529 53.606 52.037 0.067 0.000 0.620 299 A CB -0.434 18.684 19.000 0.197 0.000 0.821 299 A HN 0.138 nan 8.150 nan 0.000 0.443 300 S N 0.014 115.630 115.700 -0.141 0.000 2.368 300 S HA -0.068 4.402 4.470 0.000 0.000 0.225 300 S C 2.281 176.834 174.600 -0.078 0.000 1.030 300 S CA 1.250 59.329 58.200 -0.201 0.000 0.999 300 S CB -0.418 62.515 63.200 -0.446 0.000 0.844 300 S HN 0.780 nan 8.310 nan 0.000 0.459 301 A N 1.362 124.153 122.820 -0.047 0.000 1.930 301 A HA 0.207 4.527 4.320 0.000 0.000 0.217 301 A C 2.324 179.974 177.584 0.110 0.000 1.175 301 A CA 1.532 53.601 52.037 0.054 0.000 0.627 301 A CB -0.950 18.082 19.000 0.054 0.000 0.815 301 A HN 0.503 nan 8.150 nan 0.000 0.443 302 A N -1.014 121.870 122.820 0.107 0.000 1.930 302 A HA -0.143 4.177 4.320 0.000 0.000 0.217 302 A C 2.253 179.865 177.584 0.046 0.000 1.175 302 A CA 1.567 53.539 52.037 -0.108 0.000 0.627 302 A CB -1.228 17.340 19.000 -0.720 0.000 0.815 302 A HN 0.580 nan 8.150 nan 0.000 0.443 303 C N -0.759 118.669 119.300 0.212 0.000 2.413 303 C HA -0.107 4.353 4.460 0.000 0.000 0.276 303 C C 2.901 177.905 174.990 0.024 0.000 1.248 303 C CA 1.180 60.335 59.018 0.228 0.000 1.742 303 C CB -1.301 26.530 27.740 0.151 0.000 2.017 303 C HN 0.616 nan 8.230 nan 0.000 0.481 304 R N 1.124 121.549 120.500 -0.125 0.000 2.066 304 R HA -0.072 4.268 4.340 0.000 0.000 0.232 304 R C 2.437 178.466 176.300 -0.452 0.000 1.131 304 R CA 1.565 57.456 56.100 -0.349 0.000 0.955 304 R CB -0.597 29.354 30.300 -0.582 0.000 0.851 304 R HN 0.523 nan 8.270 nan 0.000 0.432 305 A N 1.444 124.018 122.820 -0.409 0.000 1.940 305 A HA -0.112 4.208 4.320 0.000 0.000 0.219 305 A C 2.264 179.829 177.584 -0.033 0.000 1.176 305 A CA 1.798 53.756 52.037 -0.131 0.000 0.631 305 A CB -0.511 18.478 19.000 -0.018 0.000 0.814 305 A HN 0.407 nan 8.150 nan 0.000 0.446 306 A N -1.370 121.451 122.820 0.001 0.000 2.208 306 A HA 0.259 4.580 4.320 0.000 0.000 0.209 306 A C 1.000 178.604 177.584 0.033 0.000 1.161 306 A CA 0.812 52.879 52.037 0.051 0.000 0.782 306 A CB -0.404 18.688 19.000 0.153 0.000 0.816 306 A HN 0.517 nan 8.150 nan 0.000 0.477 307 K N -0.606 119.797 120.400 0.005 0.000 3.071 307 K HA -0.160 4.160 4.320 0.000 0.000 0.265 307 K C -0.681 175.928 176.600 0.015 0.000 1.060 307 K CA 0.461 56.750 56.287 0.004 0.000 0.767 307 K CB -2.076 30.431 32.500 0.012 0.000 1.241 307 K HN 0.560 nan 8.250 nan 0.000 0.486 308 L N 0.914 122.155 121.223 0.031 0.000 2.456 308 L HA 0.050 4.390 4.340 0.000 0.000 0.272 308 L C 0.867 177.744 176.870 0.011 0.000 1.189 308 L CA -0.074 54.784 54.840 0.030 0.000 0.846 308 L CB 0.265 42.358 42.059 0.055 0.000 1.111 308 L HN 0.155 nan 8.230 nan 0.000 0.475 309 Q N 2.314 122.115 119.800 0.001 0.000 2.296 309 Q HA 0.092 4.433 4.340 0.000 0.000 0.257 309 Q C -0.253 175.734 176.000 -0.022 0.000 0.942 309 Q CA -0.123 55.674 55.803 -0.010 0.000 0.939 309 Q CB 0.745 29.474 28.738 -0.014 0.000 1.198 309 Q HN 0.483 nan 8.270 nan 0.000 0.429 310 D N 1.987 122.374 120.400 -0.020 0.000 2.697 310 D HA -0.199 4.441 4.640 0.000 0.000 0.235 310 D C -0.912 175.367 176.300 -0.035 0.000 1.167 310 D CA 0.841 54.824 54.000 -0.027 0.000 0.656 310 D CB -1.119 39.657 40.800 -0.040 0.000 1.025 310 D HN 0.627 nan 8.370 nan 0.000 0.419 311 C N -0.601 118.685 119.300 -0.023 0.000 2.605 311 C HA 0.786 5.246 4.460 0.000 0.000 0.404 311 C C 0.700 175.678 174.990 -0.019 0.000 1.284 311 C CA -0.540 58.459 59.018 -0.032 0.000 2.199 311 C CB 1.175 28.901 27.740 -0.024 0.000 2.647 311 C HN 0.461 nan 8.230 nan 0.000 0.604 312 T N 4.163 118.701 114.554 -0.027 0.000 2.848 312 T HA 0.567 4.917 4.350 0.000 0.000 0.285 312 T C -0.405 174.317 174.700 0.036 0.000 0.995 312 T CA -0.173 61.946 62.100 0.033 0.000 0.970 312 T CB 1.242 70.110 68.868 0.001 0.000 0.976 312 T HN 0.760 nan 8.240 nan 0.000 0.441 313 M N 2.869 122.534 119.600 0.108 0.000 2.537 313 M HA 0.674 5.154 4.480 0.000 0.000 0.324 313 M C -1.229 175.191 176.300 0.199 0.000 1.187 313 M CA -1.041 54.310 55.300 0.086 0.000 0.993 313 M CB 1.831 34.467 32.600 0.060 0.000 1.666 313 M HN 0.324 nan 8.290 nan 0.000 0.461 314 L N 2.604 123.905 121.223 0.130 0.000 2.404 314 L HA 0.688 5.028 4.340 0.000 0.000 0.272 314 L C -1.628 175.249 176.870 0.013 0.000 0.980 314 L CA -0.457 54.453 54.840 0.118 0.000 0.836 314 L CB 1.764 43.934 42.059 0.185 0.000 1.238 314 L HN 0.487 nan 8.230 nan 0.000 0.408 315 V N 4.436 124.339 119.914 -0.018 0.000 2.487 315 V HA 0.584 4.704 4.120 0.000 0.000 0.298 315 V C -0.756 175.189 176.094 -0.249 0.000 1.028 315 V CA -0.611 61.662 62.300 -0.045 0.000 0.860 315 V CB 1.943 33.835 31.823 0.115 0.000 0.991 315 V HN 0.800 nan 8.190 nan 0.000 0.427 316 N N 3.613 122.102 118.700 -0.351 0.000 2.617 316 N HA 0.625 5.365 4.740 0.000 0.000 0.263 316 N C 0.535 175.911 175.510 -0.224 0.000 1.074 316 N CA 0.512 53.125 53.050 -0.728 0.000 0.841 316 N CB 1.787 39.646 38.487 -1.046 0.000 1.221 316 N HN 1.056 nan 8.380 nan 0.000 0.529 317 G N 2.469 111.321 108.800 0.086 0.000 2.622 317 G HA2 -0.399 3.561 3.960 0.000 0.000 0.307 317 G HA3 -0.399 3.561 3.960 0.000 0.000 0.307 317 G C 0.508 175.255 174.900 -0.254 0.000 1.226 317 G CA 0.779 45.895 45.100 0.027 0.000 0.997 317 G HN 0.642 nan 8.290 nan 0.000 0.551 318 D N 1.172 121.326 120.400 -0.411 0.000 2.349 318 D HA 0.106 4.746 4.640 0.000 0.000 0.224 318 D C 0.434 176.600 176.300 -0.224 0.000 1.029 318 D CA 0.851 54.437 54.000 -0.691 0.000 0.879 318 D CB -0.110 40.253 40.800 -0.727 0.000 0.906 318 D HN 0.424 nan 8.370 nan 0.000 0.528 319 D N 0.553 120.876 120.400 -0.129 0.000 2.295 319 D HA 0.301 4.941 4.640 0.000 0.000 0.248 319 D C -1.024 175.252 176.300 -0.041 0.000 1.154 319 D CA -0.539 53.428 54.000 -0.054 0.000 0.857 319 D CB 1.081 41.843 40.800 -0.064 0.000 1.117 319 D HN 0.056 nan 8.370 nan 0.000 0.468 320 L N 5.354 126.596 121.223 0.030 0.000 2.438 320 L HA 0.469 4.809 4.340 0.000 0.000 0.270 320 L C -1.712 175.153 176.870 -0.009 0.000 0.972 320 L CA -0.706 54.161 54.840 0.045 0.000 0.831 320 L CB 1.836 43.992 42.059 0.162 0.000 1.273 320 L HN 0.144 nan 8.230 nan 0.000 0.405 321 V N 6.007 125.871 119.914 -0.084 0.000 2.735 321 V HA 0.829 4.950 4.120 0.000 0.000 0.310 321 V C -1.397 174.518 176.094 -0.297 0.000 1.061 321 V CA -0.356 61.825 62.300 -0.198 0.000 0.913 321 V CB 2.352 34.103 31.823 -0.120 0.000 1.005 321 V HN 0.589 nan 8.190 nan 0.000 0.428 322 V N 7.411 126.954 119.914 -0.619 0.000 2.540 322 V HA 0.585 4.705 4.120 0.000 0.000 0.302 322 V C -0.368 175.474 176.094 -0.421 0.000 1.035 322 V CA -0.459 61.481 62.300 -0.599 0.000 0.873 322 V CB 1.766 32.979 31.823 -1.017 0.000 0.992 322 V HN 0.767 nan 8.190 nan 0.000 0.428 323 I N 4.868 125.321 120.570 -0.194 0.000 2.436 323 I HA 0.694 4.864 4.170 0.000 0.000 0.289 323 I C -0.044 176.004 176.117 -0.115 0.000 1.010 323 I CA -0.309 60.935 61.300 -0.093 0.000 1.098 323 I CB 1.634 39.626 38.000 -0.014 0.000 1.266 323 I HN 0.899 nan 8.210 nan 0.000 0.434 324 C N 2.507 121.738 119.300 -0.115 0.000 3.336 324 C HA 0.566 5.026 4.460 0.000 0.000 0.352 324 C C -0.553 174.359 174.990 -0.129 0.000 1.567 324 C CA -0.918 58.042 59.018 -0.096 0.000 1.328 324 C CB 1.789 29.510 27.740 -0.032 0.000 1.922 324 C HN 0.610 nan 8.230 nan 0.000 0.439 325 E N 1.870 122.015 120.200 -0.091 0.000 2.290 325 E HA 0.276 4.626 4.350 0.000 0.000 0.277 325 E C 0.091 176.665 176.600 -0.043 0.000 1.035 325 E CA 0.517 56.864 56.400 -0.088 0.000 0.873 325 E CB 1.594 31.254 29.700 -0.066 0.000 1.029 325 E HN 0.708 nan 8.360 nan 0.000 0.419 326 S N 1.890 117.572 115.700 -0.031 0.000 2.564 326 S HA 0.263 4.733 4.470 0.000 0.000 0.278 326 S C 0.453 175.064 174.600 0.018 0.000 1.333 326 S CA -0.032 58.195 58.200 0.046 0.000 1.048 326 S CB 0.587 63.863 63.200 0.126 0.000 0.900 326 S HN 0.507 nan 8.310 nan 0.000 0.505 327 A N 3.697 126.536 122.820 0.032 0.000 2.610 327 A HA 0.639 4.959 4.320 0.000 0.000 0.286 327 A C 0.954 178.542 177.584 0.006 0.000 1.306 327 A CA 0.147 52.190 52.037 0.010 0.000 0.942 327 A CB -1.113 17.892 19.000 0.009 0.000 1.112 327 A HN 1.930 nan 8.150 nan 0.000 0.527 328 G N -0.968 107.834 108.800 0.003 0.000 2.712 328 G HA2 -0.060 3.900 3.960 0.000 0.000 0.686 328 G HA3 -0.060 3.900 3.960 0.000 0.000 0.686 328 G C 0.683 175.587 174.900 0.006 0.000 1.321 328 G CA 0.164 45.244 45.100 -0.033 0.000 0.813 328 G HN 1.238 nan 8.290 nan 0.000 0.599 329 T N -2.973 111.557 114.554 -0.040 0.000 2.720 329 T HA -0.043 4.307 4.350 0.000 0.000 0.268 329 T C 2.664 177.402 174.700 0.063 0.000 1.037 329 T CA 3.203 65.329 62.100 0.043 0.000 1.144 329 T CB -0.750 68.107 68.868 -0.018 0.000 0.864 329 T HN 2.021 nan 8.240 nan 0.000 0.444 330 Q N 1.021 120.835 119.800 0.023 0.000 2.172 330 Q HA 0.092 4.432 4.340 0.000 0.000 0.200 330 Q C 2.071 178.081 176.000 0.018 0.000 0.964 330 Q CA 1.786 57.600 55.803 0.018 0.000 0.855 330 Q CB -0.875 27.867 28.738 0.005 0.000 0.918 330 Q HN 0.747 nan 8.270 nan 0.000 0.444 331 E N 1.003 121.214 120.200 0.018 0.000 2.112 331 E HA -0.100 4.250 4.350 0.000 0.000 0.190 331 E C 1.526 178.137 176.600 0.018 0.000 0.979 331 E CA 1.213 57.621 56.400 0.014 0.000 0.814 331 E CB -0.018 29.689 29.700 0.011 0.000 0.762 331 E HN 0.656 nan 8.360 nan 0.000 0.460 332 D N 0.070 120.496 120.400 0.043 0.000 2.117 332 D HA -0.153 4.487 4.640 0.000 0.000 0.197 332 D C 1.754 178.049 176.300 -0.009 0.000 0.987 332 D CA 1.535 55.558 54.000 0.038 0.000 0.829 332 D CB -0.470 40.409 40.800 0.132 0.000 0.961 332 D HN 0.295 nan 8.370 nan 0.000 0.460 333 A N 1.112 123.941 122.820 0.014 0.000 1.902 333 A HA -0.076 4.244 4.320 0.000 0.000 0.217 333 A C 2.329 179.897 177.584 -0.025 0.000 1.181 333 A CA 2.374 54.405 52.037 -0.011 0.000 0.623 333 A CB -0.751 18.257 19.000 0.012 0.000 0.818 333 A HN 0.246 nan 8.150 nan 0.000 0.443 334 A N 0.318 123.131 122.820 -0.011 0.000 1.877 334 A HA -0.108 4.212 4.320 0.000 0.000 0.216 334 A C 2.556 180.130 177.584 -0.016 0.000 1.186 334 A CA 2.514 54.544 52.037 -0.010 0.000 0.620 334 A CB -1.125 17.874 19.000 -0.002 0.000 0.822 334 A HN 1.084 nan 8.150 nan 0.000 0.443 335 S N -0.494 115.194 115.700 -0.021 0.000 2.383 335 S HA -0.132 4.338 4.470 0.000 0.000 0.229 335 S C 1.725 176.302 174.600 -0.038 0.000 1.030 335 S CA 1.652 59.842 58.200 -0.017 0.000 1.002 335 S CB -0.528 62.663 63.200 -0.016 0.000 0.829 335 S HN 0.229 nan 8.310 nan 0.000 0.467 336 L N 1.578 122.728 121.223 -0.121 0.000 2.156 336 L HA 0.183 4.523 4.340 0.000 0.000 0.208 336 L C 2.876 179.725 176.870 -0.036 0.000 1.095 336 L CA 1.354 56.065 54.840 -0.215 0.000 0.770 336 L CB -0.612 41.207 42.059 -0.400 0.000 0.914 336 L HN 0.273 nan 8.230 nan 0.000 0.439 337 R N -1.239 119.249 120.500 -0.020 0.000 2.096 337 R HA -0.105 4.235 4.340 0.000 0.000 0.235 337 R C 2.124 178.437 176.300 0.022 0.000 1.127 337 R CA 1.315 57.422 56.100 0.011 0.000 0.968 337 R CB -0.472 29.827 30.300 -0.002 0.000 0.861 337 R HN 0.226 nan 8.270 nan 0.000 0.440 338 V N 0.533 120.460 119.914 0.021 0.000 2.379 338 V HA -0.209 3.911 4.120 0.000 0.000 0.245 338 V C 1.900 178.001 176.094 0.011 0.000 1.044 338 V CA 1.452 63.757 62.300 0.009 0.000 1.036 338 V CB -0.580 31.250 31.823 0.012 0.000 0.664 338 V HN 0.178 nan 8.190 nan 0.000 0.453 339 F N 1.758 121.656 119.950 -0.088 0.000 2.065 339 F HA -0.285 4.242 4.527 0.000 0.000 0.298 339 F C 2.472 178.207 175.800 -0.109 0.000 1.112 339 F CA 2.535 60.476 58.000 -0.098 0.000 1.212 339 F CB -0.625 38.307 39.000 -0.113 0.000 0.975 339 F HN 0.130 nan 8.300 nan 0.000 0.476 340 T N -0.060 114.560 114.554 0.110 0.000 2.746 340 T HA -0.215 4.135 4.350 0.000 0.000 0.267 340 T C 1.725 176.402 174.700 -0.038 0.000 1.039 340 T CA 1.756 63.923 62.100 0.112 0.000 1.142 340 T CB -0.403 68.611 68.868 0.243 0.000 0.866 340 T HN 0.397 nan 8.240 nan 0.000 0.444 341 E N 0.984 121.145 120.200 -0.064 0.000 2.058 341 E HA -0.129 4.221 4.350 0.000 0.000 0.194 341 E C 2.571 179.037 176.600 -0.224 0.000 0.997 341 E CA 1.130 57.465 56.400 -0.109 0.000 0.801 341 E CB -0.252 29.397 29.700 -0.084 0.000 0.746 341 E HN 0.498 nan 8.360 nan 0.000 0.450 342 A N 1.147 123.779 122.820 -0.314 0.000 1.877 342 A HA -0.200 4.120 4.320 0.000 0.000 0.216 342 A C 2.166 179.332 177.584 -0.696 0.000 1.186 342 A CA 1.366 53.080 52.037 -0.538 0.000 0.620 342 A CB -0.370 18.357 19.000 -0.456 0.000 0.822 342 A HN 0.126 nan 8.150 nan 0.000 0.443 343 M N -0.161 119.127 119.600 -0.519 0.000 2.106 343 M HA -0.138 4.342 4.480 0.000 0.000 0.259 343 M C 2.197 178.417 176.300 -0.134 0.000 1.068 343 M CA 2.181 57.292 55.300 -0.315 0.000 1.100 343 M CB -1.999 30.324 32.600 -0.461 0.000 1.351 343 M HN 0.474 nan 8.290 nan 0.000 0.404 344 T N -0.034 114.446 114.554 -0.123 0.000 2.746 344 T HA -0.118 4.232 4.350 0.000 0.000 0.267 344 T C 1.974 176.611 174.700 -0.106 0.000 1.039 344 T CA 1.109 63.172 62.100 -0.061 0.000 1.142 344 T CB -0.205 68.636 68.868 -0.044 0.000 0.866 344 T HN 0.381 nan 8.240 nan 0.000 0.444 345 R N 0.023 120.389 120.500 -0.222 0.000 2.120 345 R HA -0.054 4.286 4.340 0.000 0.000 0.234 345 R C 1.651 177.862 176.300 -0.149 0.000 1.123 345 R CA 1.086 57.047 56.100 -0.231 0.000 0.975 345 R CB -0.284 29.803 30.300 -0.355 0.000 0.866 345 R HN 0.435 nan 8.270 nan 0.000 0.446 346 Y N 0.916 121.148 120.300 -0.113 0.000 2.553 346 Y HA -0.005 4.545 4.550 0.000 0.000 0.303 346 Y C 0.832 176.668 175.900 -0.107 0.000 1.194 346 Y CA 0.056 58.074 58.100 -0.137 0.000 1.305 346 Y CB -0.644 37.758 38.460 -0.096 0.000 1.045 346 Y HN 0.101 nan 8.280 nan 0.000 0.514 347 S N -0.739 114.989 115.700 0.047 0.000 3.791 347 S HA -0.102 4.368 4.470 0.000 0.000 0.393 347 S C -0.097 174.522 174.600 0.031 0.000 0.936 347 S CA 0.355 58.572 58.200 0.029 0.000 1.234 347 S CB -1.777 61.429 63.200 0.010 0.000 0.891 347 S HN 0.957 nan 8.310 nan 0.000 0.519 348 A N 0.761 123.622 122.820 0.068 0.000 3.453 348 A HA 0.686 5.006 4.320 0.000 0.000 0.262 348 A C -2.238 175.481 177.584 0.225 0.000 1.026 348 A CA -0.811 51.304 52.037 0.131 0.000 0.938 348 A CB 0.900 20.014 19.000 0.189 0.000 1.246 348 A HN 0.502 nan 8.150 nan 0.000 0.546 349 P HA 0.365 nan 4.420 nan 0.000 0.274 349 P C -2.896 174.466 177.300 0.103 0.000 1.237 349 P CA -1.249 61.917 63.100 0.110 0.000 0.793 349 P CB 0.566 32.260 31.700 -0.010 0.000 0.977 350 P HA 0.140 nan 4.420 nan 0.000 0.279 350 P C 0.520 177.751 177.300 -0.115 0.000 1.252 350 P CA -0.028 62.961 63.100 -0.185 0.000 0.811 350 P CB 0.960 32.527 31.700 -0.222 0.000 1.035 351 G N 1.034 109.756 108.800 -0.130 0.000 2.632 351 G HA2 0.020 3.981 3.960 0.000 0.000 0.220 351 G HA3 0.020 3.981 3.960 0.000 0.000 0.220 351 G C -0.085 174.768 174.900 -0.078 0.000 1.439 351 G CA 0.062 45.116 45.100 -0.077 0.000 0.934 351 G HN 0.466 nan 8.290 nan 0.000 0.536 352 D N 2.258 122.611 120.400 -0.078 0.000 2.390 352 D HA 0.288 4.928 4.640 0.000 0.000 0.249 352 D C -2.240 174.011 176.300 -0.081 0.000 1.144 352 D CA -0.704 53.259 54.000 -0.062 0.000 0.880 352 D CB 1.390 42.164 40.800 -0.043 0.000 1.182 352 D HN -0.009 nan 8.370 nan 0.000 0.451 353 P HA 0.142 nan 4.420 nan 0.000 0.271 353 P C -2.325 174.967 177.300 -0.013 0.000 1.216 353 P CA -1.018 62.064 63.100 -0.029 0.000 0.776 353 P CB -0.137 31.557 31.700 -0.009 0.000 0.881 354 P HA 0.091 nan 4.420 nan 0.000 0.271 354 P C -0.999 176.286 177.300 -0.025 0.000 1.218 354 P CA -0.052 63.078 63.100 0.051 0.000 0.780 354 P CB 0.608 32.388 31.700 0.133 0.000 0.901 355 Q N 2.202 122.005 119.800 0.005 0.000 2.372 355 Q HA 0.629 4.969 4.340 0.000 0.000 0.273 355 Q C -2.837 173.150 176.000 -0.022 0.000 1.078 355 Q CA -2.499 53.290 55.803 -0.023 0.000 0.806 355 Q CB 2.018 30.757 28.738 0.002 0.000 1.332 355 Q HN 0.231 nan 8.270 nan 0.000 0.435 356 P HA 0.098 nan 4.420 nan 0.000 0.271 356 P C -0.893 176.235 177.300 -0.286 0.000 1.216 356 P CA 0.123 63.118 63.100 -0.175 0.000 0.776 356 P CB 0.864 32.454 31.700 -0.183 0.000 0.881 357 E N 1.992 121.973 120.200 -0.365 0.000 2.266 357 E HA 0.224 4.574 4.350 0.000 0.000 0.268 357 E C -0.598 175.797 176.600 -0.342 0.000 0.879 357 E CA -0.428 55.811 56.400 -0.268 0.000 0.762 357 E CB 1.562 31.225 29.700 -0.062 0.000 1.199 357 E HN 0.439 nan 8.360 nan 0.000 0.422 358 Y N -0.268 120.175 120.300 0.239 0.000 2.557 358 Y HA 0.178 4.728 4.550 0.000 0.000 0.247 358 Y C 0.241 176.385 175.900 0.406 0.000 1.164 358 Y CA -0.409 57.895 58.100 0.341 0.000 1.218 358 Y CB 0.999 39.564 38.460 0.175 0.000 1.210 358 Y HN 0.261 nan 8.280 nan 0.000 0.529 359 D N 0.511 121.062 120.400 0.253 0.000 2.505 359 D HA 0.123 4.763 4.640 0.000 0.000 0.250 359 D C 0.701 176.779 176.300 -0.370 0.000 1.164 359 D CA -0.314 53.693 54.000 0.012 0.000 0.870 359 D CB 1.670 42.485 40.800 0.026 0.000 1.160 359 D HN 0.109 nan 8.370 nan 0.000 0.549 360 L N 4.302 124.968 121.223 -0.928 0.000 2.081 360 L HA -0.105 4.235 4.340 0.000 0.000 0.212 360 L C 1.587 178.125 176.870 -0.553 0.000 1.080 360 L CA 1.971 56.089 54.840 -1.204 0.000 0.754 360 L CB -0.281 40.829 42.059 -1.581 0.000 0.893 360 L HN 0.505 nan 8.230 nan 0.000 0.433 361 E N -0.780 119.204 120.200 -0.360 0.000 2.333 361 E HA -0.155 4.195 4.350 0.000 0.000 0.198 361 E C 1.846 178.353 176.600 -0.156 0.000 1.007 361 E CA 0.855 57.130 56.400 -0.208 0.000 0.845 361 E CB -0.151 29.471 29.700 -0.129 0.000 0.766 361 E HN 0.550 nan 8.360 nan 0.000 0.507 362 L N 0.754 121.884 121.223 -0.156 0.000 2.607 362 L HA 0.214 4.554 4.340 0.000 0.000 0.228 362 L C 0.523 177.337 176.870 -0.094 0.000 1.123 362 L CA -0.182 54.602 54.840 -0.094 0.000 0.890 362 L CB 0.213 42.241 42.059 -0.052 0.000 1.103 362 L HN 0.021 nan 8.230 nan 0.000 0.468 363 I N 0.127 120.611 120.570 -0.143 0.000 2.325 363 I HA 0.120 4.290 4.170 0.000 0.000 0.291 363 I C 0.074 176.138 176.117 -0.088 0.000 1.019 363 I CA 0.173 61.406 61.300 -0.112 0.000 1.302 363 I CB 1.410 39.321 38.000 -0.148 0.000 1.401 363 I HN -0.100 nan 8.210 nan 0.000 0.485 364 T N 5.158 119.682 114.554 -0.050 0.000 2.758 364 T HA 0.479 4.829 4.350 0.000 0.000 0.285 364 T C -0.273 174.416 174.700 -0.018 0.000 0.981 364 T CA -0.588 61.494 62.100 -0.030 0.000 0.965 364 T CB 0.899 69.755 68.868 -0.019 0.000 0.927 364 T HN 0.736 nan 8.240 nan 0.000 0.448 365 S N 0.924 116.616 115.700 -0.013 0.000 2.536 365 S HA 0.408 4.878 4.470 0.000 0.000 0.271 365 S C 0.070 174.678 174.600 0.012 0.000 1.134 365 S CA -0.829 57.365 58.200 -0.009 0.000 0.897 365 S CB 0.610 63.791 63.200 -0.033 0.000 1.094 365 S HN 0.884 nan 8.310 nan 0.000 0.473 366 C N 2.143 121.450 119.300 0.013 0.000 4.028 366 C HA -0.161 4.299 4.460 0.000 0.000 0.300 366 C C 1.444 176.498 174.990 0.107 0.000 1.399 366 C CA 0.777 59.827 59.018 0.052 0.000 2.051 366 C CB -3.302 24.463 27.740 0.041 0.000 1.318 366 C HN 1.648 nan 8.230 nan 0.000 0.696 367 S N -1.764 113.983 115.700 0.078 0.000 3.257 367 S HA -0.206 4.264 4.470 0.000 0.000 0.300 367 S C 0.343 174.988 174.600 0.076 0.000 1.275 367 S CA 1.362 59.606 58.200 0.073 0.000 1.023 367 S CB -0.763 62.493 63.200 0.095 0.000 1.180 367 S HN 1.018 nan 8.310 nan 0.000 0.660 368 S N 1.745 117.500 115.700 0.092 0.000 2.634 368 S HA 0.752 5.222 4.470 0.000 0.000 0.296 368 S C -0.378 174.247 174.600 0.042 0.000 1.104 368 S CA -0.929 57.342 58.200 0.119 0.000 0.920 368 S CB 1.792 65.138 63.200 0.242 0.000 1.111 368 S HN 0.586 nan 8.310 nan 0.000 0.493 369 N N -0.644 118.069 118.700 0.022 0.000 2.416 369 N HA 0.419 5.159 4.740 0.000 0.000 0.276 369 N C -1.418 174.035 175.510 -0.095 0.000 1.261 369 N CA -0.611 52.408 53.050 -0.052 0.000 0.790 369 N CB 1.108 39.552 38.487 -0.072 0.000 1.554 369 N HN 0.320 nan 8.380 nan 0.000 0.481 370 V N 0.670 120.496 119.914 -0.145 0.000 2.637 370 V HA 0.286 4.406 4.120 0.000 0.000 0.296 370 V C 0.624 176.582 176.094 -0.227 0.000 1.046 370 V CA 0.189 62.377 62.300 -0.186 0.000 1.066 370 V CB 0.766 32.481 31.823 -0.179 0.000 0.968 370 V HN 0.842 nan 8.190 nan 0.000 0.483 371 S N 2.991 118.450 115.700 -0.401 0.000 2.806 371 S HA 0.797 5.267 4.470 0.000 0.000 0.306 371 S C -1.230 173.179 174.600 -0.318 0.000 1.167 371 S CA -0.491 57.492 58.200 -0.362 0.000 0.847 371 S CB 2.070 65.042 63.200 -0.380 0.000 1.216 371 S HN 0.676 nan 8.310 nan 0.000 0.532 372 V N 1.168 121.020 119.914 -0.104 0.000 2.709 372 V HA 0.945 5.065 4.120 0.000 0.000 0.308 372 V C -0.259 175.803 176.094 -0.054 0.000 1.062 372 V CA 0.305 62.509 62.300 -0.160 0.000 0.901 372 V CB 0.938 32.537 31.823 -0.373 0.000 1.003 372 V HN 1.243 nan 8.190 nan 0.000 0.425 373 A N 5.278 127.947 122.820 -0.251 0.000 2.548 373 A HA 0.892 5.212 4.320 0.000 0.000 0.282 373 A C -1.168 175.946 177.584 -0.784 0.000 1.288 373 A CA -0.593 51.119 52.037 -0.542 0.000 0.748 373 A CB 1.700 20.187 19.000 -0.855 0.000 1.339 373 A HN 0.910 nan 8.150 nan 0.000 0.475 374 H N 0.324 119.045 119.070 -0.582 0.000 2.637 374 H HA 0.378 4.934 4.556 0.000 0.000 0.363 374 H C -1.097 173.938 175.328 -0.488 0.000 1.131 374 H CA -0.365 55.363 56.048 -0.534 0.000 1.183 374 H CB 1.856 31.237 29.762 -0.634 0.000 1.637 374 H HN 0.911 nan 8.280 nan 0.000 0.531 375 D N 0.809 121.134 120.400 -0.124 0.000 2.440 375 D HA 0.172 4.812 4.640 0.000 0.000 0.269 375 D C 1.351 177.741 176.300 0.150 0.000 1.249 375 D CA -0.315 53.679 54.000 -0.011 0.000 1.055 375 D CB 0.351 41.144 40.800 -0.012 0.000 1.104 375 D HN 0.434 nan 8.370 nan 0.000 0.561 376 A N -0.392 122.511 122.820 0.140 0.000 1.978 376 A HA -0.147 4.173 4.320 0.000 0.000 0.220 376 A C 2.095 179.748 177.584 0.116 0.000 1.170 376 A CA 1.917 54.035 52.037 0.135 0.000 0.636 376 A CB -0.927 18.117 19.000 0.074 0.000 0.810 376 A HN 0.472 nan 8.150 nan 0.000 0.448 377 S N -2.061 113.693 115.700 0.091 0.000 2.527 377 S HA 0.340 4.810 4.470 0.000 0.000 0.222 377 S C 1.510 176.154 174.600 0.073 0.000 0.985 377 S CA 0.936 59.174 58.200 0.064 0.000 0.921 377 S CB 0.152 63.378 63.200 0.044 0.000 0.772 377 S HN 1.630 nan 8.310 nan 0.000 0.529 378 G N 1.616 110.484 108.800 0.113 0.000 2.176 378 G HA2 -0.252 3.708 3.960 0.000 0.000 0.232 378 G HA3 -0.252 3.708 3.960 0.000 0.000 0.232 378 G C 0.095 175.072 174.900 0.129 0.000 0.986 378 G CA -0.082 45.065 45.100 0.078 0.000 0.643 378 G HN 0.431 nan 8.290 nan 0.000 0.522 379 K N 1.250 121.706 120.400 0.093 0.000 2.451 379 K HA 0.235 4.556 4.320 0.000 0.000 0.280 379 K C 0.815 177.425 176.600 0.018 0.000 1.020 379 K CA -0.392 55.933 56.287 0.064 0.000 1.008 379 K CB 0.193 32.706 32.500 0.021 0.000 0.917 379 K HN 0.350 nan 8.250 nan 0.000 0.478 380 R N 1.935 122.397 120.500 -0.064 0.000 2.522 380 R HA 0.062 4.402 4.340 0.000 0.000 0.284 380 R C -0.587 175.501 176.300 -0.353 0.000 1.032 380 R CA -0.076 55.793 56.100 -0.385 0.000 1.049 380 R CB 0.583 30.665 30.300 -0.364 0.000 0.956 380 R HN 0.253 nan 8.270 nan 0.000 0.422 381 V N 5.116 124.757 119.914 -0.455 0.000 2.525 381 V HA 0.235 4.355 4.120 0.000 0.000 0.299 381 V C -0.968 174.960 176.094 -0.278 0.000 1.034 381 V CA -0.865 61.278 62.300 -0.263 0.000 0.863 381 V CB 1.347 33.067 31.823 -0.171 0.000 0.999 381 V HN 0.582 nan 8.190 nan 0.000 0.423 382 Y N 5.395 125.688 120.300 -0.012 0.000 2.299 382 Y HA 0.638 5.188 4.550 0.000 0.000 0.326 382 Y C 0.044 175.996 175.900 0.087 0.000 1.164 382 Y CA -0.146 57.949 58.100 -0.009 0.000 1.234 382 Y CB 1.101 39.516 38.460 -0.075 0.000 1.219 382 Y HN 0.732 nan 8.280 nan 0.000 0.497 383 Y N 0.392 120.737 120.300 0.075 0.000 2.638 383 Y HA 0.671 5.221 4.550 0.000 0.000 0.335 383 Y C -2.260 173.686 175.900 0.077 0.000 1.155 383 Y CA -1.986 56.142 58.100 0.046 0.000 1.046 383 Y CB 0.706 39.164 38.460 -0.004 0.000 1.303 383 Y HN 0.461 nan 8.280 nan 0.000 0.460 384 L N 2.202 123.470 121.223 0.075 0.000 2.289 384 L HA 0.751 5.091 4.340 0.000 0.000 0.285 384 L C 0.024 177.058 176.870 0.272 0.000 1.049 384 L CA 0.365 55.247 54.840 0.070 0.000 0.804 384 L CB 1.444 43.582 42.059 0.132 0.000 1.195 384 L HN 1.036 nan 8.230 nan 0.000 0.428 385 T N 4.283 118.951 114.554 0.190 0.000 2.716 385 T HA 0.861 5.211 4.350 0.000 0.000 0.286 385 T C -1.165 173.660 174.700 0.209 0.000 1.052 385 T CA -0.631 61.669 62.100 0.334 0.000 1.024 385 T CB 1.151 70.195 68.868 0.293 0.000 1.349 385 T HN 0.820 nan 8.240 nan 0.000 0.525 386 R N 0.445 121.013 120.500 0.113 0.000 2.733 386 R HA 0.456 4.796 4.340 0.000 0.000 0.272 386 R C -1.431 174.718 176.300 -0.251 0.000 1.029 386 R CA -1.007 55.038 56.100 -0.091 0.000 0.888 386 R CB 0.459 30.631 30.300 -0.213 0.000 1.251 386 R HN 0.549 nan 8.270 nan 0.000 0.464 387 D N 1.940 122.187 120.400 -0.255 0.000 2.487 387 D HA 0.032 4.672 4.640 0.000 0.000 0.243 387 D C -1.337 174.608 176.300 -0.591 0.000 1.154 387 D CA -1.159 52.640 54.000 -0.335 0.000 0.876 387 D CB 1.228 41.910 40.800 -0.197 0.000 1.161 387 D HN 0.348 nan 8.370 nan 0.000 0.478 388 P HA -0.003 nan 4.420 nan 0.000 0.249 388 P C 1.145 178.124 177.300 -0.534 0.000 1.229 388 P CA 0.171 62.606 63.100 -1.109 0.000 0.788 388 P CB 0.280 31.215 31.700 -1.274 0.000 1.072 389 T N -0.085 114.273 114.554 -0.326 0.000 2.607 389 T HA -0.140 4.210 4.350 0.000 0.000 0.267 389 T C 1.760 176.397 174.700 -0.104 0.000 1.049 389 T CA 2.440 64.444 62.100 -0.160 0.000 1.162 389 T CB -1.169 67.647 68.868 -0.087 0.000 0.863 389 T HN 0.202 nan 8.240 nan 0.000 0.424 390 T N 2.226 116.725 114.554 -0.093 0.000 2.708 390 T HA -0.050 4.301 4.350 0.000 0.000 0.266 390 T C -0.520 174.150 174.700 -0.049 0.000 1.037 390 T CA 1.190 63.272 62.100 -0.029 0.000 1.146 390 T CB -1.278 67.614 68.868 0.039 0.000 0.865 390 T HN 0.332 nan 8.240 nan 0.000 0.435 391 P HA -0.036 nan 4.420 nan 0.000 0.216 391 P C 1.515 178.843 177.300 0.046 0.000 1.153 391 P CA 0.979 64.074 63.100 -0.009 0.000 0.858 391 P CB -0.206 31.446 31.700 -0.081 0.000 0.789 392 L N -1.392 119.812 121.223 -0.032 0.000 2.056 392 L HA -0.144 4.196 4.340 0.000 0.000 0.207 392 L C 2.502 179.413 176.870 0.069 0.000 1.078 392 L CA 1.479 56.331 54.840 0.021 0.000 0.749 392 L CB -1.231 40.800 42.059 -0.047 0.000 0.901 392 L HN -0.052 nan 8.230 nan 0.000 0.433 393 A N 0.407 123.255 122.820 0.048 0.000 1.883 393 A HA -0.226 4.094 4.320 0.000 0.000 0.217 393 A C 2.391 180.050 177.584 0.126 0.000 1.186 393 A CA 1.675 53.761 52.037 0.082 0.000 0.624 393 A CB -0.495 18.530 19.000 0.043 0.000 0.822 393 A HN 0.338 nan 8.150 nan 0.000 0.444 394 R N -0.648 119.902 120.500 0.083 0.000 2.092 394 R HA -0.011 4.329 4.340 0.000 0.000 0.231 394 R C 2.458 178.919 176.300 0.268 0.000 1.119 394 R CA 1.034 57.204 56.100 0.116 0.000 0.970 394 R CB -0.450 29.864 30.300 0.023 0.000 0.864 394 R HN 0.515 nan 8.270 nan 0.000 0.440 395 A N 1.482 124.480 122.820 0.296 0.000 1.902 395 A HA -0.127 4.193 4.320 0.000 0.000 0.217 395 A C 2.391 180.228 177.584 0.422 0.000 1.181 395 A CA 1.689 54.018 52.037 0.487 0.000 0.623 395 A CB -0.601 18.698 19.000 0.499 0.000 0.818 395 A HN 0.386 nan 8.150 nan 0.000 0.443 396 A N -1.291 121.682 122.820 0.255 0.000 1.877 396 A HA -0.198 4.122 4.320 0.000 0.000 0.216 396 A C 2.114 179.817 177.584 0.198 0.000 1.186 396 A CA 1.430 53.572 52.037 0.177 0.000 0.620 396 A CB -0.907 18.184 19.000 0.152 0.000 0.822 396 A HN 0.824 nan 8.150 nan 0.000 0.443 397 W N 0.896 122.249 121.300 0.088 0.000 2.335 397 W HA -0.162 4.498 4.660 0.000 0.000 0.311 397 W C 1.750 178.323 176.519 0.091 0.000 1.213 397 W CA 2.023 59.404 57.345 0.060 0.000 1.274 397 W CB -0.360 29.114 29.460 0.024 0.000 1.148 397 W HN 0.547 nan 8.180 nan 0.000 0.498 398 E N -0.868 119.599 120.200 0.444 0.000 2.338 398 E HA -0.136 4.214 4.350 0.000 0.000 0.197 398 E C 1.976 178.770 176.600 0.324 0.000 1.007 398 E CA 1.507 58.151 56.400 0.406 0.000 0.849 398 E CB -0.151 29.846 29.700 0.495 0.000 0.774 398 E HN 0.067 nan 8.360 nan 0.000 0.506 399 T N 0.084 114.800 114.554 0.270 0.000 2.833 399 T HA -0.105 4.246 4.350 0.000 0.000 0.269 399 T C 1.649 176.332 174.700 -0.028 0.000 1.054 399 T CA 1.321 63.489 62.100 0.113 0.000 1.135 399 T CB 0.045 68.991 68.868 0.131 0.000 0.869 399 T HN 0.223 nan 8.240 nan 0.000 0.466 400 A N -0.062 122.706 122.820 -0.087 0.000 2.431 400 A HA 0.384 4.704 4.320 0.000 0.000 0.239 400 A C 0.718 178.170 177.584 -0.219 0.000 1.230 400 A CA -0.219 51.712 52.037 -0.177 0.000 0.928 400 A CB 0.580 19.443 19.000 -0.228 0.000 1.006 400 A HN 0.073 nan 8.150 nan 0.000 0.520 401 R N 0.268 120.661 120.500 -0.179 0.000 2.564 401 R HA 0.339 4.680 4.340 0.000 0.000 0.284 401 R C -1.672 174.597 176.300 -0.050 0.000 1.031 401 R CA -0.515 55.514 56.100 -0.119 0.000 0.904 401 R CB 0.809 31.093 30.300 -0.027 0.000 1.199 401 R HN 0.500 nan 8.270 nan 0.000 0.443 402 H N 0.713 119.854 119.070 0.118 0.000 2.803 402 H HA 0.204 4.760 4.556 0.000 0.000 0.330 402 H C 0.569 175.973 175.328 0.128 0.000 1.057 402 H CA 0.687 56.809 56.048 0.125 0.000 1.458 402 H CB 0.828 30.637 29.762 0.078 0.000 1.470 402 H HN 0.537 nan 8.280 nan 0.000 0.560 403 T N 0.093 114.792 114.554 0.241 0.000 2.916 403 T HA 0.246 4.596 4.350 0.000 0.000 0.292 403 T C -1.762 172.978 174.700 0.067 0.000 1.055 403 T CA -2.099 60.087 62.100 0.144 0.000 1.009 403 T CB 1.675 70.625 68.868 0.137 0.000 1.118 403 T HN 0.255 nan 8.240 nan 0.000 0.497 404 P HA 0.078 nan 4.420 nan 0.000 0.216 404 P C -0.140 177.150 177.300 -0.016 0.000 1.150 404 P CA 0.496 63.573 63.100 -0.038 0.000 0.837 404 P CB 0.089 31.757 31.700 -0.054 0.000 0.786 405 V N 0.901 120.802 119.914 -0.020 0.000 2.487 405 V HA 0.227 4.347 4.120 0.000 0.000 0.298 405 V C -0.224 175.836 176.094 -0.056 0.000 1.028 405 V CA -0.870 61.404 62.300 -0.044 0.000 0.860 405 V CB 1.762 33.554 31.823 -0.053 0.000 0.991 405 V HN -0.022 nan 8.190 nan 0.000 0.427 406 N N 3.001 121.622 118.700 -0.132 0.000 2.521 406 N HA 0.074 4.814 4.740 0.000 0.000 0.236 406 N C 1.331 176.628 175.510 -0.354 0.000 1.067 406 N CA 0.163 53.061 53.050 -0.253 0.000 0.939 406 N CB 1.680 39.880 38.487 -0.480 0.000 1.201 406 N HN 0.841 nan 8.380 nan 0.000 0.511 407 S N 2.287 117.898 115.700 -0.148 0.000 2.399 407 S HA -0.118 4.352 4.470 0.000 0.000 0.231 407 S C 1.867 176.419 174.600 -0.080 0.000 1.022 407 S CA 0.224 58.376 58.200 -0.079 0.000 0.983 407 S CB -0.415 62.790 63.200 0.009 0.000 0.803 407 S HN 0.797 nan 8.310 nan 0.000 0.480 408 W N 1.454 122.658 121.300 -0.160 0.000 2.342 408 W HA -0.059 4.601 4.660 -0.000 0.000 0.297 408 W C 1.708 178.138 176.519 -0.147 0.000 1.213 408 W CA 0.604 57.800 57.345 -0.248 0.000 1.251 408 W CB -1.049 27.853 29.460 -0.929 0.000 1.136 408 W HN 0.376 nan 8.180 nan 0.000 0.526 409 L N 2.777 123.375 121.223 -1.041 0.000 2.072 409 L HA 0.209 4.549 4.340 0.000 0.000 0.205 409 L C 2.655 179.324 176.870 -0.335 0.000 1.079 409 L CA 2.707 56.990 54.840 -0.928 0.000 0.752 409 L CB -1.361 39.910 42.059 -1.313 0.000 0.906 409 L HN 0.036 nan 8.230 nan 0.000 0.436 410 G N -0.572 108.065 108.800 -0.271 0.000 2.418 410 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 410 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 410 G C 1.460 176.375 174.900 0.025 0.000 1.158 410 G CA 0.756 45.788 45.100 -0.113 0.000 0.771 410 G HN 0.431 nan 8.290 nan 0.000 0.545 411 N N 0.620 119.389 118.700 0.115 0.000 2.120 411 N HA -0.027 4.713 4.740 0.000 0.000 0.188 411 N C 2.257 177.916 175.510 0.249 0.000 1.024 411 N CA 0.685 53.929 53.050 0.324 0.000 0.852 411 N CB -0.219 38.522 38.487 0.423 0.000 1.003 411 N HN 0.337 nan 8.380 nan 0.000 0.424 412 I N 0.985 121.659 120.570 0.172 0.000 2.208 412 I HA -0.245 3.925 4.170 0.000 0.000 0.245 412 I C 2.024 178.199 176.117 0.097 0.000 1.097 412 I CA 0.942 62.328 61.300 0.143 0.000 1.363 412 I CB -0.166 37.983 38.000 0.249 0.000 1.051 412 I HN 0.057 nan 8.210 nan 0.000 0.413 413 I N -0.148 120.480 120.570 0.098 0.000 2.142 413 I HA -0.302 3.868 4.170 0.000 0.000 0.240 413 I C 2.486 178.711 176.117 0.181 0.000 1.078 413 I CA 1.259 62.646 61.300 0.145 0.000 1.343 413 I CB -0.248 37.829 38.000 0.127 0.000 1.046 413 I HN 0.218 nan 8.210 nan 0.000 0.405 414 M N -0.735 118.887 119.600 0.036 0.000 2.254 414 M HA -0.109 4.371 4.480 0.000 0.000 0.265 414 M C 1.075 177.147 176.300 -0.381 0.000 1.066 414 M CA 1.710 56.906 55.300 -0.174 0.000 1.123 414 M CB -0.703 31.668 32.600 -0.381 0.000 1.388 414 M HN 0.210 nan 8.290 nan 0.000 0.425 415 Y N -0.779 119.515 120.300 -0.009 0.000 2.720 415 Y HA 0.485 5.035 4.550 0.000 0.000 0.268 415 Y C 1.807 177.449 175.900 -0.429 0.000 1.142 415 Y CA -0.307 57.670 58.100 -0.204 0.000 1.193 415 Y CB -0.882 37.417 38.460 -0.269 0.000 1.176 415 Y HN 0.145 nan 8.280 nan 0.000 0.542 416 A N 1.106 123.715 122.820 -0.351 0.000 1.927 416 A HA -0.192 4.128 4.320 0.000 0.000 0.220 416 A C -0.387 176.919 177.584 -0.463 0.000 1.185 416 A CA 1.872 53.670 52.037 -0.399 0.000 0.639 416 A CB -1.448 17.314 19.000 -0.397 0.000 0.820 416 A HN 0.279 nan 8.150 nan 0.000 0.451 417 P HA 0.026 nan 4.420 nan 0.000 0.237 417 P C 0.614 177.655 177.300 -0.432 0.000 1.178 417 P CA 1.187 64.016 63.100 -0.452 0.000 0.766 417 P CB -0.414 31.038 31.700 -0.413 0.000 0.876 418 T N -2.699 111.596 114.554 -0.432 0.000 2.868 418 T HA 0.129 4.479 4.350 0.000 0.000 0.292 418 T C 1.093 175.393 174.700 -0.666 0.000 1.028 418 T CA -0.669 61.130 62.100 -0.502 0.000 1.059 418 T CB 0.624 69.000 68.868 -0.819 0.000 0.991 418 T HN -0.181 nan 8.240 nan 0.000 0.531 419 L N 1.848 122.590 121.223 -0.801 0.000 2.046 419 L HA 0.049 4.389 4.340 0.000 0.000 0.208 419 L C 2.334 178.905 176.870 -0.498 0.000 1.077 419 L CA 1.581 55.909 54.840 -0.854 0.000 0.747 419 L CB -0.962 40.452 42.059 -1.076 0.000 0.896 419 L HN 0.919 nan 8.230 nan 0.000 0.432 420 W N -0.979 120.120 121.300 -0.335 0.000 2.453 420 W HA 0.134 4.794 4.660 0.000 0.000 0.289 420 W C 1.930 178.329 176.519 -0.200 0.000 1.215 420 W CA 0.674 57.862 57.345 -0.261 0.000 1.297 420 W CB -1.212 28.123 29.460 -0.207 0.000 1.113 420 W HN 0.290 nan 8.180 nan 0.000 0.551 421 A N 1.909 124.290 122.820 -0.731 0.000 1.929 421 A HA -0.097 4.223 4.320 0.000 0.000 0.216 421 A C 2.237 179.695 177.584 -0.210 0.000 1.176 421 A CA 1.493 53.268 52.037 -0.436 0.000 0.628 421 A CB -0.701 17.911 19.000 -0.647 0.000 0.816 421 A HN 0.294 nan 8.150 nan 0.000 0.444 422 R N -1.039 119.257 120.500 -0.341 0.000 2.062 422 R HA 0.064 4.404 4.340 0.000 0.000 0.229 422 R C 2.216 178.390 176.300 -0.209 0.000 1.128 422 R CA 1.651 57.573 56.100 -0.296 0.000 0.960 422 R CB -0.312 29.651 30.300 -0.562 0.000 0.855 422 R HN 0.487 nan 8.270 nan 0.000 0.432 423 M N -0.373 118.994 119.600 -0.389 0.000 2.334 423 M HA 0.003 4.483 4.480 0.000 0.000 0.266 423 M C 1.842 178.125 176.300 -0.029 0.000 1.082 423 M CA 1.444 56.600 55.300 -0.241 0.000 1.141 423 M CB 0.188 32.589 32.600 -0.333 0.000 1.380 423 M HN 0.130 nan 8.290 nan 0.000 0.440 424 I N -0.882 119.529 120.570 -0.266 0.000 3.196 424 I HA -0.083 4.087 4.170 0.000 0.000 0.248 424 I C 2.035 178.019 176.117 -0.221 0.000 1.105 424 I CA 0.248 61.131 61.300 -0.696 0.000 1.482 424 I CB -0.196 37.311 38.000 -0.822 0.000 1.400 424 I HN 0.105 nan 8.210 nan 0.000 0.464 425 L N 0.373 121.638 121.223 0.070 0.000 2.017 425 L HA -0.207 4.133 4.340 0.000 0.000 0.208 425 L C 2.685 179.859 176.870 0.508 0.000 1.073 425 L CA 1.659 56.721 54.840 0.371 0.000 0.745 425 L CB -0.495 41.819 42.059 0.424 0.000 0.894 425 L HN 0.284 nan 8.230 nan 0.000 0.432 426 M N -0.785 119.087 119.600 0.452 0.000 2.067 426 M HA -0.191 4.290 4.480 0.000 0.000 0.260 426 M C 2.363 179.180 176.300 0.862 0.000 1.069 426 M CA 2.144 57.833 55.300 0.647 0.000 1.117 426 M CB -0.724 32.069 32.600 0.322 0.000 1.334 426 M HN 0.257 nan 8.290 nan 0.000 0.407 427 T N -1.229 113.798 114.554 0.788 0.000 2.652 427 T HA -0.245 4.105 4.350 0.000 0.000 0.267 427 T C 1.672 176.668 174.700 0.494 0.000 1.039 427 T CA 2.049 64.571 62.100 0.703 0.000 1.153 427 T CB -0.592 68.720 68.868 0.741 0.000 0.863 427 T HN 0.468 nan 8.240 nan 0.000 0.428 428 H N 0.301 119.546 119.070 0.293 0.000 2.293 428 H HA 0.004 4.561 4.556 0.000 0.000 0.300 428 H C 1.780 176.976 175.328 -0.220 0.000 1.082 428 H CA 1.585 57.666 56.048 0.056 0.000 1.308 428 H CB -0.487 29.190 29.762 -0.142 0.000 1.375 428 H HN 0.367 nan 8.280 nan 0.000 0.495 429 F N -1.183 118.701 119.950 -0.109 0.000 2.367 429 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 429 F C 1.893 177.457 175.800 -0.393 0.000 1.094 429 F CA 0.438 58.111 58.000 -0.545 0.000 1.409 429 F CB -0.417 37.825 39.000 -1.263 0.000 1.064 429 F HN 0.138 nan 8.300 nan 0.000 0.528 430 F N -0.523 119.505 119.950 0.129 0.000 2.186 430 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 430 F C 2.749 178.568 175.800 0.031 0.000 1.090 430 F CA 1.556 59.648 58.000 0.154 0.000 1.307 430 F CB -0.987 38.206 39.000 0.323 0.000 1.019 430 F HN -0.114 nan 8.300 nan 0.000 0.489 431 S N 0.555 116.324 115.700 0.115 0.000 2.359 431 S HA -0.218 4.252 4.470 0.000 0.000 0.223 431 S C 2.145 176.692 174.600 -0.088 0.000 1.039 431 S CA 1.728 59.923 58.200 -0.010 0.000 1.042 431 S CB -0.545 62.631 63.200 -0.041 0.000 0.915 431 S HN 0.301 nan 8.310 nan 0.000 0.439 432 I N 1.341 121.781 120.570 -0.215 0.000 2.127 432 I HA -0.221 3.949 4.170 0.000 0.000 0.241 432 I C 2.264 178.326 176.117 -0.092 0.000 1.075 432 I CA 1.315 62.490 61.300 -0.209 0.000 1.334 432 I CB -0.425 37.367 38.000 -0.346 0.000 1.040 432 I HN 0.318 nan 8.210 nan 0.000 0.405 433 L N -0.026 121.148 121.223 -0.082 0.000 2.083 433 L HA -0.235 4.105 4.340 0.000 0.000 0.209 433 L C 2.553 179.442 176.870 0.033 0.000 1.083 433 L CA 1.250 56.081 54.840 -0.016 0.000 0.752 433 L CB -0.543 41.480 42.059 -0.059 0.000 0.899 433 L HN 0.289 nan 8.230 nan 0.000 0.433 434 L N -0.290 120.964 121.223 0.051 0.000 1.994 434 L HA -0.211 4.129 4.340 0.000 0.000 0.208 434 L C 2.894 179.779 176.870 0.026 0.000 1.071 434 L CA 1.386 56.263 54.840 0.060 0.000 0.745 434 L CB -0.618 41.479 42.059 0.064 0.000 0.892 434 L HN 0.234 nan 8.230 nan 0.000 0.431 435 A N -1.023 121.798 122.820 0.001 0.000 1.940 435 A HA -0.215 4.105 4.320 0.000 0.000 0.219 435 A C 2.025 179.610 177.584 0.003 0.000 1.176 435 A CA 1.452 53.483 52.037 -0.009 0.000 0.631 435 A CB -0.298 18.683 19.000 -0.031 0.000 0.814 435 A HN 0.469 nan 8.150 nan 0.000 0.446 436 Q N -1.484 118.322 119.800 0.011 0.000 2.320 436 Q HA 0.248 4.588 4.340 0.000 0.000 0.201 436 Q C 0.542 176.563 176.000 0.036 0.000 0.910 436 Q CA 0.973 56.792 55.803 0.026 0.000 0.946 436 Q CB -0.563 28.198 28.738 0.039 0.000 1.062 436 Q HN 0.964 nan 8.270 nan 0.000 0.503 437 E N 1.257 121.479 120.200 0.037 0.000 2.269 437 E HA -0.260 4.090 4.350 0.000 0.000 0.223 437 E C 0.280 176.912 176.600 0.054 0.000 1.244 437 E CA 1.389 57.816 56.400 0.045 0.000 0.713 437 E CB -2.831 26.891 29.700 0.037 0.000 1.178 437 E HN 0.636 nan 8.360 nan 0.000 0.370 438 Q N -1.160 118.677 119.800 0.063 0.000 2.155 438 Q HA 0.359 4.699 4.340 0.000 0.000 0.220 438 Q C 1.631 177.683 176.000 0.087 0.000 0.819 438 Q CA -0.410 55.437 55.803 0.074 0.000 1.032 438 Q CB 0.391 29.179 28.738 0.084 0.000 1.151 438 Q HN 0.487 nan 8.270 nan 0.000 0.487 439 L N 1.187 122.466 121.223 0.094 0.000 2.081 439 L HA -0.209 4.131 4.340 0.000 0.000 0.212 439 L C 1.713 178.656 176.870 0.121 0.000 1.080 439 L CA 1.963 56.877 54.840 0.124 0.000 0.754 439 L CB -0.333 41.822 42.059 0.160 0.000 0.893 439 L HN 0.328 nan 8.230 nan 0.000 0.433 440 E N -1.148 119.111 120.200 0.098 0.000 2.474 440 E HA -0.036 4.314 4.350 0.000 0.000 0.194 440 E C 0.760 177.408 176.600 0.079 0.000 1.041 440 E CA -0.163 56.289 56.400 0.087 0.000 0.874 440 E CB 0.335 30.078 29.700 0.071 0.000 0.914 440 E HN 0.282 nan 8.360 nan 0.000 0.498 441 K N 2.023 122.471 120.400 0.080 0.000 2.312 441 K HA 0.281 4.601 4.320 0.000 0.000 0.287 441 K C -0.466 176.182 176.600 0.081 0.000 1.062 441 K CA -0.232 56.099 56.287 0.074 0.000 0.934 441 K CB 0.781 33.324 32.500 0.071 0.000 1.027 441 K HN -0.102 nan 8.250 nan 0.000 0.478 442 A N 5.189 128.053 122.820 0.072 0.000 2.462 442 A HA 0.323 4.643 4.320 0.000 0.000 0.243 442 A C -0.468 177.156 177.584 0.066 0.000 1.076 442 A CA -0.165 51.914 52.037 0.071 0.000 0.773 442 A CB 0.164 19.209 19.000 0.075 0.000 1.010 442 A HN 0.768 nan 8.150 nan 0.000 0.493 443 L N 1.736 122.986 121.223 0.044 0.000 2.370 443 L HA 0.376 4.716 4.340 0.000 0.000 0.266 443 L C -0.849 176.017 176.870 -0.007 0.000 1.002 443 L CA -1.039 53.814 54.840 0.021 0.000 0.818 443 L CB 2.094 44.145 42.059 -0.014 0.000 1.325 443 L HN 0.578 nan 8.230 nan 0.000 0.418 444 D N 1.416 121.822 120.400 0.010 0.000 2.304 444 D HA 0.419 5.059 4.640 0.000 0.000 0.250 444 D C -0.364 175.894 176.300 -0.070 0.000 1.107 444 D CA 0.025 54.035 54.000 0.017 0.000 0.885 444 D CB 1.458 42.300 40.800 0.070 0.000 1.192 444 D HN 0.607 nan 8.370 nan 0.000 0.436 445 C N 0.699 119.953 119.300 -0.077 0.000 3.285 445 C HA 0.688 5.148 4.460 0.000 0.000 0.320 445 C C -1.060 173.889 174.990 -0.069 0.000 1.411 445 C CA -0.808 58.135 59.018 -0.126 0.000 1.429 445 C CB 1.506 29.113 27.740 -0.221 0.000 1.812 445 C HN 0.519 nan 8.230 nan 0.000 0.454 446 Q N 0.453 120.208 119.800 -0.076 0.000 2.353 446 Q HA 0.753 5.093 4.340 0.000 0.000 0.268 446 Q C -1.499 174.468 176.000 -0.055 0.000 1.045 446 Q CA -0.350 55.434 55.803 -0.032 0.000 0.811 446 Q CB 2.392 31.119 28.738 -0.019 0.000 1.305 446 Q HN 0.721 nan 8.270 nan 0.000 0.447 447 I N 2.585 123.132 120.570 -0.038 0.000 2.468 447 I HA 0.204 4.374 4.170 0.000 0.000 0.285 447 I C -1.024 175.118 176.117 0.041 0.000 1.039 447 I CA -0.693 60.510 61.300 -0.161 0.000 1.074 447 I CB 1.143 38.796 38.000 -0.578 0.000 1.228 447 I HN 0.621 nan 8.210 nan 0.000 0.436 448 Y N 5.131 125.495 120.300 0.107 0.000 3.491 448 Y HA -0.254 4.296 4.550 0.000 0.000 0.215 448 Y C 1.515 177.396 175.900 -0.032 0.000 1.219 448 Y CA 1.097 59.251 58.100 0.090 0.000 1.485 448 Y CB -2.009 36.517 38.460 0.111 0.000 1.450 448 Y HN 0.996 nan 8.280 nan 0.000 0.603 449 G N -2.182 106.709 108.800 0.151 0.000 2.253 449 G HA2 -0.044 3.916 3.960 0.000 0.000 0.251 449 G HA3 -0.044 3.916 3.960 0.000 0.000 0.251 449 G C 0.519 175.433 174.900 0.023 0.000 0.998 449 G CA 0.186 45.328 45.100 0.069 0.000 0.621 449 G HN 1.569 nan 8.290 nan 0.000 0.524 450 A N -0.353 122.481 122.820 0.023 0.000 2.340 450 A HA 0.604 4.924 4.320 0.000 0.000 0.268 450 A C 0.638 178.022 177.584 -0.333 0.000 1.100 450 A CA 0.517 52.405 52.037 -0.249 0.000 0.803 450 A CB 0.605 19.365 19.000 -0.400 0.000 1.043 450 A HN 1.044 nan 8.150 nan 0.000 0.488 451 C N 1.390 120.398 119.300 -0.487 0.000 2.330 451 C HA 0.662 5.122 4.460 0.000 0.000 0.344 451 C C -0.567 173.991 174.990 -0.720 0.000 1.273 451 C CA -0.226 58.592 59.018 -0.335 0.000 1.879 451 C CB -1.185 26.527 27.740 -0.046 0.000 2.376 451 C HN 0.713 nan 8.230 nan 0.000 0.534 452 Y N 0.706 120.806 120.300 -0.334 0.000 2.499 452 Y HA 0.481 5.031 4.550 0.000 0.000 0.347 452 Y C 0.354 176.120 175.900 -0.224 0.000 0.987 452 Y CA -0.390 57.460 58.100 -0.417 0.000 1.044 452 Y CB 1.665 39.809 38.460 -0.525 0.000 1.245 452 Y HN 0.558 nan 8.280 nan 0.000 0.461 453 S N 3.963 119.642 115.700 -0.035 0.000 2.429 453 S HA 0.688 5.158 4.470 0.000 0.000 0.302 453 S C -1.151 173.496 174.600 0.078 0.000 1.115 453 S CA -0.457 57.783 58.200 0.067 0.000 1.095 453 S CB -0.183 63.095 63.200 0.131 0.000 0.987 453 S HN 0.448 nan 8.310 nan 0.000 0.474 454 I N 4.057 124.662 120.570 0.058 0.000 2.533 454 I HA 0.363 4.533 4.170 0.000 0.000 0.290 454 I C -0.040 176.113 176.117 0.061 0.000 1.056 454 I CA -0.622 60.721 61.300 0.072 0.000 1.057 454 I CB 1.935 39.959 38.000 0.039 0.000 1.240 454 I HN 0.688 nan 8.210 nan 0.000 0.423 455 E N 7.228 127.479 120.200 0.085 0.000 2.194 455 E HA 0.203 4.553 4.350 0.000 0.000 0.284 455 E C -1.597 175.075 176.600 0.120 0.000 1.035 455 E CA -1.473 54.983 56.400 0.094 0.000 0.836 455 E CB 1.278 31.033 29.700 0.092 0.000 1.070 455 E HN 0.293 nan 8.360 nan 0.000 0.401 456 P HA -0.212 nan 4.420 nan 0.000 0.217 456 P C 0.972 178.461 177.300 0.315 0.000 1.148 456 P CA 1.166 64.382 63.100 0.194 0.000 0.834 456 P CB 0.215 31.988 31.700 0.122 0.000 0.783 457 L N -1.007 120.366 121.223 0.249 0.000 2.362 457 L HA -0.118 4.222 4.340 0.000 0.000 0.219 457 L C 1.291 178.263 176.870 0.171 0.000 1.134 457 L CA 1.142 56.127 54.840 0.243 0.000 0.807 457 L CB -0.612 41.551 42.059 0.174 0.000 0.927 457 L HN -0.042 nan 8.230 nan 0.000 0.447 458 D N -0.445 120.043 120.400 0.146 0.000 2.340 458 D HA 0.005 4.645 4.640 0.000 0.000 0.220 458 D C 2.218 178.584 176.300 0.112 0.000 1.039 458 D CA 0.270 54.327 54.000 0.095 0.000 0.866 458 D CB 0.292 41.135 40.800 0.072 0.000 0.913 458 D HN 0.267 nan 8.370 nan 0.000 0.523 459 L N 1.090 122.427 121.223 0.190 0.000 2.013 459 L HA -0.172 4.168 4.340 0.000 0.000 0.212 459 L C -0.455 176.528 176.870 0.187 0.000 1.073 459 L CA 1.631 56.603 54.840 0.219 0.000 0.753 459 L CB -1.494 40.776 42.059 0.352 0.000 0.890 459 L HN 0.070 nan 8.230 nan 0.000 0.432 460 P HA -0.186 nan 4.420 nan 0.000 0.216 460 P C 1.336 178.698 177.300 0.104 0.000 1.150 460 P CA 1.310 64.469 63.100 0.098 0.000 0.837 460 P CB 0.038 31.607 31.700 -0.218 0.000 0.786 461 Q N -0.858 118.941 119.800 -0.003 0.000 2.083 461 Q HA -0.047 4.293 4.340 0.000 0.000 0.198 461 Q C 2.228 178.213 176.000 -0.026 0.000 0.969 461 Q CA 1.132 56.914 55.803 -0.035 0.000 0.838 461 Q CB -0.818 27.883 28.738 -0.061 0.000 0.900 461 Q HN 0.237 nan 8.270 nan 0.000 0.436 462 I N 0.052 120.614 120.570 -0.014 0.000 2.226 462 I HA -0.264 3.906 4.170 0.000 0.000 0.245 462 I C 1.953 178.065 176.117 -0.010 0.000 1.100 462 I CA 1.142 62.399 61.300 -0.073 0.000 1.374 462 I CB -0.154 37.838 38.000 -0.014 0.000 1.057 462 I HN 0.199 nan 8.210 nan 0.000 0.413 463 I N 0.278 120.910 120.570 0.104 0.000 2.252 463 I HA -0.272 3.898 4.170 0.000 0.000 0.245 463 I C 2.609 178.741 176.117 0.025 0.000 1.102 463 I CA 1.269 62.647 61.300 0.130 0.000 1.385 463 I CB -0.364 37.719 38.000 0.138 0.000 1.064 463 I HN 0.273 nan 8.210 nan 0.000 0.414 464 E N 1.130 121.377 120.200 0.078 0.000 2.049 464 E HA -0.268 4.082 4.350 0.000 0.000 0.198 464 E C 2.400 178.988 176.600 -0.021 0.000 1.007 464 E CA 1.277 57.709 56.400 0.053 0.000 0.809 464 E CB 0.085 29.862 29.700 0.129 0.000 0.749 464 E HN 0.257 nan 8.360 nan 0.000 0.450 465 R N 0.126 120.594 120.500 -0.054 0.000 2.091 465 R HA -0.120 4.220 4.340 0.000 0.000 0.238 465 R C 2.480 178.702 176.300 -0.130 0.000 1.136 465 R CA 1.026 57.065 56.100 -0.102 0.000 0.959 465 R CB -0.595 29.608 30.300 -0.161 0.000 0.856 465 R HN 0.371 nan 8.270 nan 0.000 0.437 466 L N -1.049 120.071 121.223 -0.171 0.000 2.162 466 L HA -0.037 4.303 4.340 0.000 0.000 0.205 466 L C 1.887 178.493 176.870 -0.441 0.000 1.086 466 L CA 0.941 55.594 54.840 -0.311 0.000 0.778 466 L CB -0.284 41.539 42.059 -0.393 0.000 0.928 466 L HN 0.250 nan 8.230 nan 0.000 0.446 467 H N -0.828 118.171 119.070 -0.118 0.000 3.058 467 H HA 0.291 4.847 4.556 0.000 0.000 0.258 467 H C 0.964 176.207 175.328 -0.142 0.000 1.015 467 H CA 0.764 56.727 56.048 -0.142 0.000 1.210 467 H CB 1.052 30.697 29.762 -0.195 0.000 1.481 467 H HN 0.285 nan 8.280 nan 0.000 0.492 468 G N 1.017 109.795 108.800 -0.036 0.000 2.795 468 G HA2 -0.242 3.718 3.960 0.000 0.000 0.664 468 G HA3 -0.242 3.718 3.960 0.000 0.000 0.664 468 G C 0.691 175.544 174.900 -0.079 0.000 1.381 468 G CA -0.121 44.958 45.100 -0.035 0.000 0.853 468 G HN 0.226 nan 8.290 nan 0.000 0.545 469 L N 1.057 122.291 121.223 0.019 0.000 2.275 469 L HA -0.054 4.286 4.340 0.000 0.000 0.215 469 L C 3.185 180.076 176.870 0.034 0.000 1.119 469 L CA 1.900 56.812 54.840 0.120 0.000 0.790 469 L CB -0.523 41.677 42.059 0.234 0.000 0.919 469 L HN 0.888 nan 8.230 nan 0.000 0.443 470 S N 0.318 116.003 115.700 -0.024 0.000 2.419 470 S HA -0.229 4.241 4.470 0.000 0.000 0.235 470 S C 2.160 176.678 174.600 -0.137 0.000 1.019 470 S CA 0.913 59.085 58.200 -0.046 0.000 0.982 470 S CB -0.479 62.690 63.200 -0.051 0.000 0.789 470 S HN 0.387 nan 8.310 nan 0.000 0.490 471 A N 0.848 123.495 122.820 -0.289 0.000 2.024 471 A HA 0.088 4.408 4.320 0.000 0.000 0.220 471 A C 1.538 178.896 177.584 -0.376 0.000 1.164 471 A CA 1.205 52.979 52.037 -0.438 0.000 0.643 471 A CB -0.863 17.765 19.000 -0.619 0.000 0.806 471 A HN 0.605 nan 8.150 nan 0.000 0.451 472 F N -0.652 119.311 119.950 0.022 0.000 2.765 472 F HA 0.202 4.730 4.527 0.000 0.000 0.302 472 F C 1.664 177.507 175.800 0.072 0.000 1.111 472 F CA 0.519 58.556 58.000 0.062 0.000 1.359 472 F CB 0.130 39.192 39.000 0.104 0.000 1.097 472 F HN 0.089 nan 8.300 nan 0.000 0.577 473 S N -0.854 114.941 115.700 0.158 0.000 2.687 473 S HA 0.292 4.762 4.470 0.000 0.000 0.247 473 S C 0.473 175.141 174.600 0.114 0.000 1.050 473 S CA -0.308 57.977 58.200 0.143 0.000 1.063 473 S CB 0.437 63.709 63.200 0.119 0.000 1.039 473 S HN 0.004 nan 8.310 nan 0.000 0.580 474 L N 3.682 124.895 121.223 -0.018 0.000 2.485 474 L HA 0.262 4.602 4.340 0.000 0.000 0.275 474 L C 0.456 177.247 176.870 -0.133 0.000 1.207 474 L CA 0.479 55.201 54.840 -0.197 0.000 0.855 474 L CB 0.032 41.839 42.059 -0.420 0.000 1.114 474 L HN 0.543 nan 8.230 nan 0.000 0.485 475 H N -1.365 117.507 119.070 -0.330 0.000 2.933 475 H HA 0.371 4.927 4.556 0.000 0.000 0.310 475 H C -0.359 174.812 175.328 -0.262 0.000 1.351 475 H CA -0.853 55.059 56.048 -0.225 0.000 1.137 475 H CB 1.019 30.762 29.762 -0.032 0.000 1.853 475 H HN 0.390 nan 8.280 nan 0.000 0.539 476 S N -0.200 115.484 115.700 -0.026 0.000 3.436 476 S HA -0.230 4.240 4.470 0.000 0.000 0.393 476 S C -0.711 173.850 174.600 -0.064 0.000 0.914 476 S CA 0.452 58.665 58.200 0.022 0.000 1.317 476 S CB -2.336 60.881 63.200 0.027 0.000 0.920 476 S HN 0.509 nan 8.310 nan 0.000 0.564 477 Y N 1.649 121.975 120.300 0.042 0.000 2.357 477 Y HA 0.300 4.850 4.550 0.000 0.000 0.340 477 Y C 1.419 177.357 175.900 0.062 0.000 1.260 477 Y CA 0.305 58.431 58.100 0.044 0.000 1.425 477 Y CB 0.416 38.902 38.460 0.043 0.000 1.326 477 Y HN 0.573 nan 8.280 nan 0.000 0.580 478 S N 1.685 117.519 115.700 0.223 0.000 2.568 478 S HA 0.079 4.549 4.470 0.000 0.000 0.282 478 S C -1.992 172.688 174.600 0.133 0.000 1.338 478 S CA -1.090 57.191 58.200 0.135 0.000 1.045 478 S CB 1.073 64.328 63.200 0.092 0.000 0.873 478 S HN 0.452 nan 8.310 nan 0.000 0.516 479 P HA -0.024 nan 4.420 nan 0.000 0.217 479 P C 1.685 179.022 177.300 0.063 0.000 1.148 479 P CA 1.648 64.793 63.100 0.076 0.000 0.828 479 P CB -0.408 31.328 31.700 0.059 0.000 0.783 480 G N -0.223 108.610 108.800 0.056 0.000 2.418 480 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 480 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 480 G C 1.660 176.587 174.900 0.045 0.000 1.158 480 G CA 0.819 45.943 45.100 0.040 0.000 0.771 480 G HN 0.263 nan 8.290 nan 0.000 0.545 481 E N 0.691 120.936 120.200 0.075 0.000 2.028 481 E HA -0.017 4.333 4.350 0.000 0.000 0.190 481 E C 2.440 179.081 176.600 0.067 0.000 0.984 481 E CA 0.682 57.137 56.400 0.092 0.000 0.800 481 E CB -0.420 29.387 29.700 0.180 0.000 0.758 481 E HN 0.457 nan 8.360 nan 0.000 0.448 482 I N 0.940 121.556 120.570 0.077 0.000 2.163 482 I HA -0.331 3.839 4.170 0.000 0.000 0.243 482 I C 2.159 178.296 176.117 0.034 0.000 1.085 482 I CA 1.623 62.952 61.300 0.047 0.000 1.347 482 I CB -0.446 37.599 38.000 0.076 0.000 1.044 482 I HN 0.225 nan 8.210 nan 0.000 0.408 483 N N 0.192 118.914 118.700 0.037 0.000 2.188 483 N HA -0.202 4.538 4.740 0.000 0.000 0.184 483 N C 2.013 177.528 175.510 0.008 0.000 1.018 483 N CA 0.705 53.769 53.050 0.025 0.000 0.858 483 N CB -0.119 38.384 38.487 0.027 0.000 0.989 483 N HN 0.295 nan 8.380 nan 0.000 0.426 484 R N 1.430 121.930 120.500 0.000 0.000 2.083 484 R HA -0.111 4.229 4.340 0.000 0.000 0.237 484 R C 2.026 178.297 176.300 -0.048 0.000 1.137 484 R CA 1.147 57.231 56.100 -0.027 0.000 0.951 484 R CB -0.310 29.968 30.300 -0.037 0.000 0.851 484 R HN -0.018 nan 8.270 nan 0.000 0.434 485 V N 1.184 121.076 119.914 -0.037 0.000 2.220 485 V HA -0.274 3.846 4.120 0.000 0.000 0.246 485 V C 2.530 178.608 176.094 -0.027 0.000 1.049 485 V CA 2.091 64.361 62.300 -0.050 0.000 1.003 485 V CB -1.020 30.800 31.823 -0.005 0.000 0.634 485 V HN 0.610 nan 8.190 nan 0.000 0.444 486 A N -0.444 122.378 122.820 0.002 0.000 1.927 486 A HA -0.308 4.012 4.320 0.000 0.000 0.220 486 A C 2.577 180.168 177.584 0.010 0.000 1.185 486 A CA 2.672 54.721 52.037 0.019 0.000 0.639 486 A CB -0.922 18.096 19.000 0.030 0.000 0.820 486 A HN 0.549 nan 8.150 nan 0.000 0.451 487 S N -1.457 114.243 115.700 -0.000 0.000 2.368 487 S HA -0.198 4.273 4.470 0.000 0.000 0.224 487 S C 2.071 176.665 174.600 -0.010 0.000 1.029 487 S CA 1.531 59.731 58.200 -0.001 0.000 0.988 487 S CB -0.996 62.202 63.200 -0.003 0.000 0.838 487 S HN 0.777 nan 8.310 nan 0.000 0.462 488 C N 1.426 120.705 119.300 -0.035 0.000 2.429 488 C HA 0.043 4.503 4.460 0.000 0.000 0.277 488 C C 2.513 177.483 174.990 -0.034 0.000 1.262 488 C CA 0.955 59.942 59.018 -0.052 0.000 1.733 488 C CB -1.739 25.932 27.740 -0.115 0.000 2.010 488 C HN 0.698 nan 8.230 nan 0.000 0.483 489 L N 0.226 121.437 121.223 -0.020 0.000 2.056 489 L HA -0.100 4.240 4.340 0.000 0.000 0.207 489 L C 3.033 179.894 176.870 -0.015 0.000 1.078 489 L CA 1.625 56.465 54.840 0.001 0.000 0.749 489 L CB -0.905 41.184 42.059 0.050 0.000 0.901 489 L HN 0.327 nan 8.230 nan 0.000 0.433 490 R N 0.469 120.971 120.500 0.003 0.000 2.081 490 R HA -0.203 4.137 4.340 0.000 0.000 0.235 490 R C 2.369 178.691 176.300 0.035 0.000 1.131 490 R CA 1.536 57.644 56.100 0.014 0.000 0.960 490 R CB -0.287 30.033 30.300 0.033 0.000 0.856 490 R HN 0.304 nan 8.270 nan 0.000 0.436 491 K N 0.989 121.413 120.400 0.040 0.000 2.057 491 K HA -0.119 4.201 4.320 0.000 0.000 0.207 491 K C 1.793 178.470 176.600 0.128 0.000 1.049 491 K CA 1.259 57.598 56.287 0.086 0.000 0.931 491 K CB 0.040 32.569 32.500 0.049 0.000 0.714 491 K HN 0.150 nan 8.250 nan 0.000 0.440 492 L N -0.548 120.675 121.223 -0.001 0.000 2.529 492 L HA 0.171 4.511 4.340 0.000 0.000 0.223 492 L C 0.846 177.487 176.870 -0.381 0.000 1.113 492 L CA 0.390 55.203 54.840 -0.045 0.000 0.861 492 L CB 0.329 42.379 42.059 -0.016 0.000 1.012 492 L HN 0.580 nan 8.230 nan 0.000 0.461 493 G N 1.053 109.485 108.800 -0.613 0.000 2.225 493 G HA2 -0.224 3.736 3.960 0.000 0.000 0.264 493 G HA3 -0.224 3.736 3.960 0.000 0.000 0.264 493 G C -0.001 174.737 174.900 -0.269 0.000 1.060 493 G CA 0.032 44.672 45.100 -0.766 0.000 0.833 493 G HN 0.090 nan 8.290 nan 0.000 0.498 494 V N 0.734 120.585 119.914 -0.104 0.000 2.546 494 V HA 0.401 4.521 4.120 0.000 0.000 0.284 494 V C -1.182 174.982 176.094 0.116 0.000 1.050 494 V CA -1.496 60.847 62.300 0.071 0.000 0.981 494 V CB 1.428 33.327 31.823 0.127 0.000 0.990 494 V HN 0.180 nan 8.190 nan 0.000 0.474 495 P HA 0.108 nan 4.420 nan 0.000 0.265 495 P C -2.432 174.972 177.300 0.173 0.000 1.187 495 P CA -0.657 62.461 63.100 0.029 0.000 0.766 495 P CB -0.166 31.375 31.700 -0.266 0.000 0.820 496 P HA 0.035 nan 4.420 nan 0.000 0.271 496 P C 0.929 178.387 177.300 0.264 0.000 1.233 496 P CA 0.032 63.223 63.100 0.152 0.000 0.789 496 P CB 0.724 32.469 31.700 0.075 0.000 0.951 497 L N 0.859 122.252 121.223 0.284 0.000 2.129 497 L HA -0.227 4.113 4.340 0.000 0.000 0.212 497 L C 2.835 179.890 176.870 0.309 0.000 1.087 497 L CA 1.853 56.904 54.840 0.351 0.000 0.757 497 L CB -0.850 41.325 42.059 0.193 0.000 0.896 497 L HN 0.482 nan 8.230 nan 0.000 0.434 498 R N -0.329 120.285 120.500 0.190 0.000 2.120 498 R HA -0.111 4.229 4.340 0.000 0.000 0.234 498 R C 1.969 178.343 176.300 0.123 0.000 1.123 498 R CA 1.417 57.608 56.100 0.150 0.000 0.975 498 R CB -1.064 29.286 30.300 0.083 0.000 0.866 498 R HN 0.120 nan 8.270 nan 0.000 0.446 499 V N 0.600 120.534 119.914 0.033 0.000 2.307 499 V HA -0.190 3.930 4.120 0.000 0.000 0.245 499 V C 2.014 178.068 176.094 -0.067 0.000 1.045 499 V CA 1.854 64.087 62.300 -0.111 0.000 1.024 499 V CB -0.712 30.921 31.823 -0.317 0.000 0.651 499 V HN 0.394 nan 8.190 nan 0.000 0.449 500 W N 0.226 121.631 121.300 0.175 0.000 2.342 500 W HA -0.160 4.500 4.660 -0.000 0.000 0.297 500 W C 2.734 179.461 176.519 0.347 0.000 1.213 500 W CA 1.622 59.112 57.345 0.241 0.000 1.251 500 W CB -0.347 29.250 29.460 0.228 0.000 1.136 500 W HN 0.073 nan 8.180 nan 0.000 0.526 501 R N -0.225 120.610 120.500 0.558 0.000 2.081 501 R HA -0.238 4.102 4.340 0.000 0.000 0.235 501 R C 2.089 178.535 176.300 0.244 0.000 1.131 501 R CA 2.170 58.575 56.100 0.508 0.000 0.960 501 R CB -0.737 29.830 30.300 0.444 0.000 0.856 501 R HN 0.258 nan 8.270 nan 0.000 0.436 502 H N 0.280 119.416 119.070 0.109 0.000 2.290 502 H HA -0.050 4.506 4.556 0.000 0.000 0.298 502 H C 2.084 177.403 175.328 -0.016 0.000 1.087 502 H CA 2.313 58.370 56.048 0.016 0.000 1.291 502 H CB 0.079 29.834 29.762 -0.011 0.000 1.369 502 H HN 0.144 nan 8.280 nan 0.000 0.492 503 R N -0.168 120.368 120.500 0.060 0.000 2.091 503 R HA -0.129 4.211 4.340 0.000 0.000 0.238 503 R C 2.542 178.807 176.300 -0.059 0.000 1.136 503 R CA 1.075 57.169 56.100 -0.009 0.000 0.959 503 R CB -0.403 29.931 30.300 0.057 0.000 0.856 503 R HN 0.419 nan 8.270 nan 0.000 0.437 504 A N 1.195 124.025 122.820 0.017 0.000 1.933 504 A HA -0.168 4.153 4.320 0.000 0.000 0.218 504 A C 2.098 179.424 177.584 -0.430 0.000 1.175 504 A CA 1.173 53.091 52.037 -0.199 0.000 0.628 504 A CB -0.348 18.632 19.000 -0.034 0.000 0.814 504 A HN 0.220 nan 8.150 nan 0.000 0.444 505 R N -0.576 119.733 120.500 -0.318 0.000 2.091 505 R HA -0.130 4.210 4.340 0.000 0.000 0.238 505 R C 2.683 178.805 176.300 -0.296 0.000 1.136 505 R CA 1.607 57.524 56.100 -0.306 0.000 0.959 505 R CB -0.378 29.771 30.300 -0.250 0.000 0.856 505 R HN 0.589 nan 8.270 nan 0.000 0.437 506 S N 0.123 115.649 115.700 -0.290 0.000 2.345 506 S HA -0.104 4.366 4.470 0.000 0.000 0.220 506 S C 2.055 176.510 174.600 -0.242 0.000 1.031 506 S CA 1.359 59.416 58.200 -0.239 0.000 0.996 506 S CB -0.205 62.870 63.200 -0.210 0.000 0.882 506 S HN 0.123 nan 8.310 nan 0.000 0.445 507 V N 2.680 122.412 119.914 -0.303 0.000 2.324 507 V HA -0.204 3.916 4.120 0.000 0.000 0.250 507 V C 2.767 178.589 176.094 -0.455 0.000 1.060 507 V CA 2.397 64.476 62.300 -0.368 0.000 1.042 507 V CB -0.911 30.619 31.823 -0.487 0.000 0.650 507 V HN 0.520 nan 8.190 nan 0.000 0.450 508 R N 0.133 120.282 120.500 -0.586 0.000 2.083 508 R HA -0.194 4.146 4.340 0.000 0.000 0.237 508 R C 2.331 178.509 176.300 -0.204 0.000 1.137 508 R CA 1.836 57.703 56.100 -0.389 0.000 0.951 508 R CB -0.500 29.606 30.300 -0.323 0.000 0.851 508 R HN 0.487 nan 8.270 nan 0.000 0.434 509 A N 1.038 123.743 122.820 -0.192 0.000 1.902 509 A HA -0.176 4.144 4.320 0.000 0.000 0.217 509 A C 2.199 179.726 177.584 -0.095 0.000 1.181 509 A CA 1.573 53.534 52.037 -0.127 0.000 0.623 509 A CB -0.448 18.476 19.000 -0.125 0.000 0.818 509 A HN 0.387 nan 8.150 nan 0.000 0.443 510 R N -0.628 119.811 120.500 -0.103 0.000 2.096 510 R HA -0.023 4.317 4.340 0.000 0.000 0.235 510 R C 2.044 178.326 176.300 -0.030 0.000 1.127 510 R CA 1.423 57.486 56.100 -0.061 0.000 0.968 510 R CB -0.483 29.782 30.300 -0.059 0.000 0.861 510 R HN 0.508 nan 8.270 nan 0.000 0.440 511 L N 0.368 121.570 121.223 -0.036 0.000 2.027 511 L HA -0.164 4.176 4.340 0.000 0.000 0.206 511 L C 2.292 179.165 176.870 0.005 0.000 1.074 511 L CA 1.139 55.986 54.840 0.011 0.000 0.745 511 L CB -0.388 41.684 42.059 0.021 0.000 0.898 511 L HN 0.183 nan 8.230 nan 0.000 0.433 512 L N -0.330 120.880 121.223 -0.022 0.000 2.079 512 L HA -0.208 4.132 4.340 0.000 0.000 0.210 512 L C 2.710 179.573 176.870 -0.012 0.000 1.081 512 L CA 1.560 56.389 54.840 -0.018 0.000 0.752 512 L CB -0.591 41.444 42.059 -0.039 0.000 0.896 512 L HN 0.409 nan 8.230 nan 0.000 0.433 513 S N -1.511 114.179 115.700 -0.017 0.000 2.522 513 S HA -0.091 4.379 4.470 0.000 0.000 0.227 513 S C 1.710 176.312 174.600 0.002 0.000 0.986 513 S CA 0.227 58.420 58.200 -0.011 0.000 0.929 513 S CB -0.093 63.095 63.200 -0.019 0.000 0.769 513 S HN 0.435 nan 8.310 nan 0.000 0.529 514 Q N 1.174 120.982 119.800 0.013 0.000 2.389 514 Q HA 0.235 4.575 4.340 0.000 0.000 0.204 514 Q C 1.490 177.506 176.000 0.025 0.000 0.944 514 Q CA 0.590 56.408 55.803 0.025 0.000 0.908 514 Q CB -0.701 28.064 28.738 0.044 0.000 1.002 514 Q HN 0.718 nan 8.270 nan 0.000 0.493 515 G N 0.297 109.109 108.800 0.021 0.000 2.749 515 G HA2 -0.135 3.825 3.960 0.000 0.000 0.242 515 G HA3 -0.135 3.825 3.960 0.000 0.000 0.242 515 G C 0.504 175.422 174.900 0.030 0.000 1.364 515 G CA 0.188 45.300 45.100 0.021 0.000 0.888 515 G HN 0.723 nan 8.290 nan 0.000 0.566 516 G N -0.897 107.920 108.800 0.027 0.000 2.582 516 G HA2 -0.232 3.728 3.960 0.000 0.000 0.288 516 G HA3 -0.232 3.728 3.960 0.000 0.000 0.288 516 G C 1.095 176.018 174.900 0.037 0.000 1.247 516 G CA 1.425 46.544 45.100 0.031 0.000 0.972 516 G HN 1.527 nan 8.290 nan 0.000 0.557 517 R N 0.335 120.861 120.500 0.044 0.000 2.096 517 R HA 0.158 4.498 4.340 0.000 0.000 0.235 517 R C 3.238 179.583 176.300 0.074 0.000 1.127 517 R CA 1.999 58.130 56.100 0.051 0.000 0.968 517 R CB -0.567 29.770 30.300 0.061 0.000 0.861 517 R HN 0.715 nan 8.270 nan 0.000 0.440 518 A N 1.282 124.156 122.820 0.089 0.000 1.908 518 A HA -0.160 4.160 4.320 0.000 0.000 0.218 518 A C 2.373 180.000 177.584 0.072 0.000 1.181 518 A CA 1.796 53.899 52.037 0.109 0.000 0.627 518 A CB -0.740 18.326 19.000 0.110 0.000 0.818 518 A HN 0.401 nan 8.150 nan 0.000 0.445 519 A N -1.121 121.730 122.820 0.051 0.000 1.933 519 A HA -0.070 4.250 4.320 0.000 0.000 0.218 519 A C 2.292 179.905 177.584 0.047 0.000 1.175 519 A CA 2.254 54.312 52.037 0.036 0.000 0.628 519 A CB -1.257 17.759 19.000 0.025 0.000 0.814 519 A HN 0.438 nan 8.150 nan 0.000 0.444 520 T N -0.571 114.018 114.554 0.058 0.000 2.684 520 T HA -0.217 4.133 4.350 0.000 0.000 0.267 520 T C 1.917 176.660 174.700 0.071 0.000 1.036 520 T CA 1.626 63.779 62.100 0.088 0.000 1.148 520 T CB -0.772 68.098 68.868 0.003 0.000 0.863 520 T HN 0.582 nan 8.240 nan 0.000 0.436 521 C N 1.335 120.643 119.300 0.014 0.000 2.398 521 C HA -0.058 4.402 4.460 0.000 0.000 0.276 521 C C 3.107 178.078 174.990 -0.030 0.000 1.222 521 C CA 0.706 59.685 59.018 -0.064 0.000 1.746 521 C CB -1.587 26.100 27.740 -0.088 0.000 2.039 521 C HN 0.754 nan 8.230 nan 0.000 0.470 522 G N -0.103 108.722 108.800 0.041 0.000 2.446 522 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 522 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 522 G C 1.608 176.540 174.900 0.053 0.000 1.168 522 G CA 1.256 46.414 45.100 0.097 0.000 0.771 522 G HN 0.659 nan 8.290 nan 0.000 0.551 523 K N -0.825 119.576 120.400 0.003 0.000 1.985 523 K HA -0.114 4.206 4.320 0.000 0.000 0.210 523 K C 2.277 178.733 176.600 -0.240 0.000 1.047 523 K CA 1.428 57.654 56.287 -0.100 0.000 0.932 523 K CB -0.307 32.148 32.500 -0.074 0.000 0.716 523 K HN 0.388 nan 8.250 nan 0.000 0.439 524 Y N 0.747 120.846 120.300 -0.334 0.000 2.231 524 Y HA -0.014 4.536 4.550 0.000 0.000 0.294 524 Y C 2.055 177.584 175.900 -0.618 0.000 1.120 524 Y CA 0.879 58.576 58.100 -0.671 0.000 1.141 524 Y CB -0.150 37.648 38.460 -1.104 0.000 1.022 524 Y HN -0.021 nan 8.280 nan 0.000 0.523 525 L N -1.770 119.260 121.223 -0.321 0.000 2.201 525 L HA -0.153 4.187 4.340 0.000 0.000 0.212 525 L C 0.697 177.286 176.870 -0.468 0.000 1.105 525 L CA 1.324 55.943 54.840 -0.368 0.000 0.775 525 L CB -0.352 41.295 42.059 -0.685 0.000 0.913 525 L HN 0.179 nan 8.230 nan 0.000 0.440 526 F N -1.695 118.203 119.950 -0.086 0.000 2.735 526 F HA 0.185 4.712 4.527 0.000 0.000 0.304 526 F C 1.549 177.039 175.800 -0.518 0.000 1.119 526 F CA -0.433 57.308 58.000 -0.431 0.000 1.280 526 F CB -0.507 38.248 39.000 -0.409 0.000 0.994 526 F HN -0.089 nan 8.300 nan 0.000 0.520 527 N N 1.110 119.729 118.700 -0.134 0.000 2.364 527 N HA -0.195 4.545 4.740 0.000 0.000 0.183 527 N C 1.972 177.461 175.510 -0.035 0.000 1.022 527 N CA 1.609 54.599 53.050 -0.100 0.000 0.883 527 N CB -0.178 38.263 38.487 -0.077 0.000 0.965 527 N HN 0.536 nan 8.380 nan 0.000 0.438 528 W N -0.624 120.719 121.300 0.072 0.000 2.465 528 W HA 0.143 4.803 4.660 0.000 0.000 0.268 528 W C 1.217 177.796 176.519 0.101 0.000 1.242 528 W CA 0.678 58.075 57.345 0.088 0.000 1.248 528 W CB -0.800 28.726 29.460 0.110 0.000 1.118 528 W HN 0.057 nan 8.180 nan 0.000 0.587 529 A N 1.432 123.885 122.820 -0.612 0.000 2.178 529 A HA 0.226 4.547 4.320 0.000 0.000 0.211 529 A C 0.997 178.444 177.584 -0.228 0.000 1.157 529 A CA 0.908 52.585 52.037 -0.600 0.000 0.780 529 A CB -0.762 17.621 19.000 -1.028 0.000 0.828 529 A HN 0.108 nan 8.150 nan 0.000 0.476 530 V N -4.520 115.297 119.914 -0.163 0.000 2.713 530 V HA 0.804 4.924 4.120 0.000 0.000 0.307 530 V C 1.150 177.219 176.094 -0.041 0.000 1.052 530 V CA -0.216 62.026 62.300 -0.098 0.000 0.967 530 V CB 0.891 32.649 31.823 -0.109 0.000 1.019 530 V HN 0.298 nan 8.190 nan 0.000 0.459 531 K N 1.805 122.187 120.400 -0.031 0.000 2.007 531 K HA 0.207 4.527 4.320 0.000 0.000 0.206 531 K C 1.357 177.943 176.600 -0.025 0.000 1.047 531 K CA 1.728 58.006 56.287 -0.015 0.000 0.937 531 K CB -1.329 31.164 32.500 -0.011 0.000 0.718 531 K HN 1.489 nan 8.250 nan 0.000 0.438 532 T N 2.449 116.982 114.554 -0.035 0.000 2.875 532 T HA 0.522 4.872 4.350 0.000 0.000 0.307 532 T C -0.126 174.544 174.700 -0.050 0.000 1.013 532 T CA -0.561 61.516 62.100 -0.038 0.000 0.970 532 T CB -0.232 68.613 68.868 -0.037 0.000 0.986 532 T HN 0.252 nan 8.240 nan 0.000 0.536 533 K N 2.580 122.952 120.400 -0.047 0.000 2.298 533 K HA 0.516 4.836 4.320 0.000 0.000 0.280 533 K C 0.221 176.778 176.600 -0.071 0.000 1.032 533 K CA -0.274 55.979 56.287 -0.057 0.000 0.958 533 K CB 0.986 33.462 32.500 -0.040 0.000 0.978 533 K HN 0.573 nan 8.250 nan 0.000 0.472 534 L N 2.118 123.281 121.223 -0.099 0.000 2.464 534 L HA 0.144 4.484 4.340 0.000 0.000 0.264 534 L C 0.483 177.277 176.870 -0.127 0.000 1.199 534 L CA -0.515 54.255 54.840 -0.116 0.000 0.818 534 L CB 0.381 42.348 42.059 -0.153 0.000 1.102 534 L HN 0.442 nan 8.230 nan 0.000 0.473 535 K N 2.526 122.859 120.400 -0.111 0.000 2.349 535 K HA 0.329 4.649 4.320 0.000 0.000 0.288 535 K C -1.028 175.480 176.600 -0.153 0.000 1.058 535 K CA 0.190 56.420 56.287 -0.095 0.000 0.953 535 K CB 0.139 32.607 32.500 -0.052 0.000 0.997 535 K HN 0.371 nan 8.250 nan 0.000 0.477 536 L N 5.259 126.390 121.223 -0.153 0.000 2.265 536 L HA 0.396 4.736 4.340 0.000 0.000 0.289 536 L C 0.228 177.118 176.870 0.033 0.000 1.033 536 L CA -0.714 53.993 54.840 -0.222 0.000 0.814 536 L CB 1.195 43.096 42.059 -0.262 0.000 1.203 536 L HN 0.801 nan 8.230 nan 0.000 0.423 537 T N 0.520 115.153 114.554 0.132 0.000 2.930 537 T HA 0.609 4.959 4.350 0.000 0.000 0.290 537 T C -2.725 172.118 174.700 0.238 0.000 1.052 537 T CA -2.494 59.702 62.100 0.160 0.000 1.017 537 T CB 1.817 70.744 68.868 0.098 0.000 1.137 537 T HN 0.140 nan 8.240 nan 0.000 0.511 538 P HA 0.209 nan 4.420 nan 0.000 0.264 538 P C -0.597 176.740 177.300 0.062 0.000 1.183 538 P CA -0.027 63.136 63.100 0.105 0.000 0.763 538 P CB 0.067 31.804 31.700 0.063 0.000 0.807 539 I N 6.293 126.852 120.570 -0.017 0.000 2.352 539 I HA 0.133 4.303 4.170 0.000 0.000 0.290 539 I C -1.240 174.846 176.117 -0.052 0.000 1.036 539 I CA -1.849 59.395 61.300 -0.092 0.000 1.336 539 I CB 1.198 39.043 38.000 -0.258 0.000 1.407 539 I HN 0.316 nan 8.210 nan 0.000 0.497 540 P HA -0.166 nan 4.420 nan 0.000 0.218 540 P C 1.423 178.703 177.300 -0.033 0.000 1.149 540 P CA 0.931 64.017 63.100 -0.023 0.000 0.817 540 P CB 0.242 31.934 31.700 -0.012 0.000 0.785 541 A N 0.144 122.937 122.820 -0.045 0.000 2.019 541 A HA -0.101 4.219 4.320 0.000 0.000 0.219 541 A C 2.287 179.838 177.584 -0.055 0.000 1.164 541 A CA 1.836 53.846 52.037 -0.045 0.000 0.644 541 A CB -1.477 17.495 19.000 -0.047 0.000 0.805 541 A HN 0.210 nan 8.150 nan 0.000 0.449 542 A N -0.372 122.410 122.820 -0.064 0.000 1.972 542 A HA -0.051 4.269 4.320 0.000 0.000 0.219 542 A C 2.381 179.923 177.584 -0.071 0.000 1.169 542 A CA 1.910 53.904 52.037 -0.071 0.000 0.635 542 A CB -0.719 18.243 19.000 -0.063 0.000 0.810 542 A HN 0.468 nan 8.150 nan 0.000 0.446 543 S N -0.540 115.128 115.700 -0.053 0.000 2.382 543 S HA -0.106 4.364 4.470 0.000 0.000 0.228 543 S C 2.352 176.920 174.600 -0.053 0.000 1.027 543 S CA 1.606 59.777 58.200 -0.048 0.000 0.991 543 S CB -0.435 62.746 63.200 -0.032 0.000 0.823 543 S HN 0.832 nan 8.310 nan 0.000 0.469 544 R N 0.312 120.782 120.500 -0.050 0.000 2.276 544 R HA 0.341 4.681 4.340 0.000 0.000 0.203 544 R C 0.680 176.944 176.300 -0.060 0.000 1.017 544 R CA 0.376 56.449 56.100 -0.046 0.000 1.010 544 R CB -1.089 29.192 30.300 -0.033 0.000 0.900 544 R HN 0.288 nan 8.270 nan 0.000 0.469 545 L N 2.437 123.608 121.223 -0.086 0.000 2.477 545 L HA 0.159 4.499 4.340 0.000 0.000 0.272 545 L C -0.287 176.495 176.870 -0.146 0.000 1.157 545 L CA -0.194 54.574 54.840 -0.121 0.000 0.889 545 L CB 1.313 43.272 42.059 -0.167 0.000 1.158 545 L HN 0.268 nan 8.230 nan 0.000 0.473 546 D N 4.337 124.666 120.400 -0.119 0.000 2.402 546 D HA 0.101 4.742 4.640 0.000 0.000 0.235 546 D C 0.168 176.356 176.300 -0.187 0.000 1.226 546 D CA -0.109 53.827 54.000 -0.108 0.000 0.918 546 D CB 0.593 41.367 40.800 -0.043 0.000 1.043 546 D HN 0.281 nan 8.370 nan 0.000 0.506 547 L N 2.858 123.904 121.223 -0.294 0.000 2.965 547 L HA 0.149 4.489 4.340 0.000 0.000 0.254 547 L C 0.592 177.315 176.870 -0.244 0.000 1.220 547 L CA -0.127 54.358 54.840 -0.593 0.000 1.023 547 L CB -0.354 41.242 42.059 -0.772 0.000 1.355 547 L HN 0.266 nan 8.230 nan 0.000 0.545 548 S N -1.425 114.240 115.700 -0.058 0.000 2.576 548 S HA 0.540 5.010 4.470 0.000 0.000 0.276 548 S C 1.373 176.043 174.600 0.117 0.000 1.339 548 S CA 0.105 58.322 58.200 0.030 0.000 1.039 548 S CB 1.264 64.467 63.200 0.005 0.000 0.902 548 S HN 0.556 nan 8.310 nan 0.000 0.516 549 G N 1.630 110.495 108.800 0.108 0.000 2.225 549 G HA2 -0.259 3.701 3.960 0.000 0.000 0.254 549 G HA3 -0.259 3.701 3.960 0.000 0.000 0.254 549 G C 0.547 175.584 174.900 0.229 0.000 0.988 549 G CA 0.314 45.455 45.100 0.069 0.000 0.625 549 G HN 0.699 nan 8.290 nan 0.000 0.527 550 W N 0.184 121.416 121.300 -0.113 0.000 2.354 550 W HA 0.407 5.067 4.660 -0.000 0.000 0.315 550 W C 1.248 177.380 176.519 -0.646 0.000 1.206 550 W CA 1.525 58.599 57.345 -0.451 0.000 1.290 550 W CB -0.365 28.648 29.460 -0.745 0.000 1.152 550 W HN 0.204 nan 8.180 nan 0.000 0.489 551 F N -0.828 119.319 119.950 0.328 0.000 2.523 551 F HA 0.320 4.847 4.527 0.000 0.000 0.322 551 F C 0.497 176.453 175.800 0.260 0.000 1.361 551 F CA -0.528 57.666 58.000 0.325 0.000 1.151 551 F CB -0.085 39.065 39.000 0.250 0.000 1.391 551 F HN -0.388 nan 8.300 nan 0.000 0.566 552 V N 0.034 120.167 119.914 0.365 0.000 2.854 552 V HA 0.614 4.734 4.120 0.000 0.000 0.236 552 V C 0.899 177.140 176.094 0.246 0.000 1.157 552 V CA 0.734 63.186 62.300 0.253 0.000 1.187 552 V CB 0.537 32.484 31.823 0.206 0.000 0.949 552 V HN 0.423 nan 8.190 nan 0.000 0.488 553 A N -0.813 122.122 122.820 0.193 0.000 2.593 553 A HA 0.790 5.110 4.320 0.000 0.000 0.290 553 A C -0.318 176.932 177.584 -0.556 0.000 1.126 553 A CA 0.074 52.059 52.037 -0.087 0.000 0.695 553 A CB 1.140 19.946 19.000 -0.324 0.000 1.290 553 A HN 0.409 nan 8.150 nan 0.000 0.414 554 G N -1.299 106.884 108.800 -1.029 0.000 2.356 554 G HA2 0.547 4.507 3.960 0.000 0.000 0.322 554 G HA3 0.547 4.507 3.960 0.000 0.000 0.322 554 G C -0.956 173.288 174.900 -1.093 0.000 1.125 554 G CA -0.079 44.041 45.100 -1.632 0.000 0.885 554 G HN 0.572 nan 8.290 nan 0.000 0.467 555 Y N 1.037 121.114 120.300 -0.372 0.000 2.738 555 Y HA 0.296 4.846 4.550 0.000 0.000 0.249 555 Y C 1.388 177.205 175.900 -0.137 0.000 1.153 555 Y CA -0.803 57.182 58.100 -0.191 0.000 1.165 555 Y CB 0.598 38.974 38.460 -0.140 0.000 1.235 555 Y HN 0.513 nan 8.280 nan 0.000 0.559 556 S N 0.720 116.388 115.700 -0.054 0.000 2.544 556 S HA 0.335 4.805 4.470 0.000 0.000 0.290 556 S C 1.436 176.057 174.600 0.034 0.000 1.276 556 S CA 1.405 59.611 58.200 0.009 0.000 1.075 556 S CB 0.076 63.291 63.200 0.025 0.000 0.849 556 S HN 1.033 nan 8.310 nan 0.000 0.494 557 G N 3.507 112.332 108.800 0.041 0.000 2.199 557 G HA2 -0.215 3.746 3.960 0.000 0.000 0.254 557 G HA3 -0.215 3.746 3.960 0.000 0.000 0.254 557 G C 0.798 175.730 174.900 0.054 0.000 0.982 557 G CA 0.318 45.451 45.100 0.054 0.000 0.632 557 G HN 1.386 nan 8.290 nan 0.000 0.529 558 G N -0.211 108.622 108.800 0.055 0.000 3.088 558 G HA2 0.410 4.370 3.960 0.000 0.000 0.217 558 G HA3 0.410 4.370 3.960 0.000 0.000 0.217 558 G C 0.424 175.343 174.900 0.033 0.000 1.159 558 G CA 1.149 46.295 45.100 0.078 0.000 0.760 558 G HN 1.162 nan 8.290 nan 0.000 0.550 559 D N -0.376 120.011 120.400 -0.021 0.000 2.699 559 D HA -0.158 4.482 4.640 0.000 0.000 0.239 559 D C -0.165 176.066 176.300 -0.116 0.000 1.136 559 D CA 0.357 54.318 54.000 -0.066 0.000 0.668 559 D CB -1.143 39.633 40.800 -0.039 0.000 1.060 559 D HN 0.109 nan 8.370 nan 0.000 0.429 560 I N 1.380 121.836 120.570 -0.191 0.000 2.404 560 I HA 0.370 4.540 4.170 0.000 0.000 0.293 560 I C -0.186 175.673 176.117 -0.430 0.000 0.992 560 I CA -0.777 60.295 61.300 -0.381 0.000 1.149 560 I CB 1.315 38.923 38.000 -0.652 0.000 1.315 560 I HN 0.103 nan 8.210 nan 0.000 0.446 561 Y N 5.663 125.622 120.300 -0.569 0.000 2.361 561 Y HA 0.424 4.974 4.550 0.000 0.000 0.337 561 Y C -0.701 174.895 175.900 -0.507 0.000 0.965 561 Y CA -0.544 57.243 58.100 -0.521 0.000 1.091 561 Y CB 1.218 39.487 38.460 -0.318 0.000 1.182 561 Y HN 0.547 nan 8.280 nan 0.000 0.450 562 H N 4.341 122.796 119.070 -1.024 0.000 2.439 562 H HA 0.554 5.110 4.556 0.000 0.000 0.239 562 H C -0.698 174.200 175.328 -0.716 0.000 1.432 562 H CA -0.414 55.168 56.048 -0.776 0.000 1.373 562 H CB 0.728 30.024 29.762 -0.776 0.000 1.463 562 H HN 0.588 nan 8.280 nan 0.000 0.530 563 S N 0.000 115.360 115.700 -0.567 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.028 58.200 -0.286 0.000 1.107 563 S CB 0.000 62.968 63.200 -0.387 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517