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 1gkm_1_A DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGDLAPLA DATA SEQUENCE HMSLVLLGEG KARYKGQWLS ATEALAVAGL EPLTLAAKEG LALLNGTQAS DATA SEQUENCE TAYALRGLFY AEDLYAAAIA CGGLSVEAVL GSRSPFDARI HEARGQRGQI DATA SEQUENCE DTAACFRDLL GDSSEVSLSH KNADKVQDPY SLRCQPQVMG ACLTQLRQAA DATA SEQUENCE EVLGIEANAV SDNPLVFAAE GDVISGGNFH AEPVAMAADN LALAIAEIGS DATA SEQUENCE LSERRISLMM DKHMSQLPPF LVENGGVNSG FMIAQVTAAA LASENKALSH DATA SEQUENCE PHSVDSLPTS ANQEDHVSMA PAAGKRLWEM AENTRGVLAI EWLGACQGLD DATA SEQUENCE LRKGLKTSAK LEKARQALRS EVAHYDRDRF FAPDIEKAVE LLAKGSLTGL DATA SEQUENCE LPAGVLPSL 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.707 174.700 0.012 0.000 1.109 1 T CA 0.000 62.103 62.100 0.006 0.000 1.349 1 T CB 0.000 68.869 68.868 0.002 0.000 0.612 2 E N 1.480 121.686 120.200 0.010 0.000 2.129 2 E HA 0.586 4.955 4.350 0.031 0.000 0.268 2 E C -1.226 175.381 176.600 0.013 0.000 0.900 2 E CA -0.963 55.444 56.400 0.012 0.000 0.755 2 E CB 2.150 31.855 29.700 0.009 0.000 1.117 2 E HN 0.558 nan 8.360 nan 0.000 0.410 3 L N 2.476 123.708 121.223 0.016 0.000 2.356 3 L HA 0.392 4.751 4.340 0.031 0.000 0.277 3 L C -0.837 176.044 176.870 0.017 0.000 0.996 3 L CA -0.137 54.713 54.840 0.017 0.000 0.822 3 L CB 2.089 44.161 42.059 0.023 0.000 1.256 3 L HN 0.282 nan 8.230 nan 0.000 0.413 4 T N 6.366 120.929 114.554 0.015 0.000 2.832 4 T HA 0.362 4.731 4.350 0.031 0.000 0.313 4 T C -0.432 174.279 174.700 0.018 0.000 1.035 4 T CA -0.154 61.955 62.100 0.015 0.000 0.950 4 T CB 0.193 69.068 68.868 0.012 0.000 0.984 4 T HN 0.478 nan 8.240 nan 0.000 0.486 5 L N 4.469 125.704 121.223 0.021 0.000 2.361 5 L HA 0.331 4.690 4.340 0.031 0.000 0.278 5 L C 0.140 177.025 176.870 0.024 0.000 1.113 5 L CA 0.086 54.941 54.840 0.025 0.000 0.849 5 L CB 0.070 42.146 42.059 0.029 0.000 1.155 5 L HN 0.370 nan 8.230 nan 0.000 0.452 6 K N 7.440 127.855 120.400 0.026 0.000 2.250 6 K HA 0.333 4.671 4.320 0.031 0.000 0.280 6 K C -2.291 174.330 176.600 0.036 0.000 1.098 6 K CA -1.633 54.671 56.287 0.028 0.000 0.916 6 K CB 0.453 32.969 32.500 0.026 0.000 1.209 6 K HN 0.449 nan 8.250 nan 0.000 0.461 7 P HA -0.068 nan 4.420 nan 0.000 0.266 7 P C 0.677 178.014 177.300 0.062 0.000 1.195 7 P CA 0.721 63.852 63.100 0.051 0.000 0.768 7 P CB 0.703 32.436 31.700 0.054 0.000 0.838 8 G N 1.920 110.757 108.800 0.062 0.000 2.176 8 G HA2 -0.251 3.727 3.960 0.031 0.000 0.253 8 G HA3 -0.251 3.727 3.960 0.031 0.000 0.253 8 G C 0.614 175.544 174.900 0.050 0.000 0.979 8 G CA 0.535 45.673 45.100 0.063 0.000 0.641 8 G HN 0.712 nan 8.290 nan 0.000 0.530 9 T N -1.327 113.253 114.554 0.045 0.000 3.132 9 T HA 0.610 4.978 4.350 0.031 0.000 0.274 9 T C 0.924 175.645 174.700 0.035 0.000 1.011 9 T CA -0.250 61.872 62.100 0.037 0.000 0.899 9 T CB 0.208 69.096 68.868 0.033 0.000 1.089 9 T HN 0.401 nan 8.240 nan 0.000 0.543 10 L N 3.664 124.911 121.223 0.040 0.000 2.490 10 L HA 0.308 4.666 4.340 0.031 0.000 0.274 10 L C 1.234 178.129 176.870 0.042 0.000 1.201 10 L CA -0.241 54.624 54.840 0.042 0.000 0.869 10 L CB 0.627 42.717 42.059 0.051 0.000 1.123 10 L HN 0.430 nan 8.230 nan 0.000 0.484 11 T N -0.069 114.508 114.554 0.039 0.000 2.881 11 T HA 0.345 4.713 4.350 0.031 0.000 0.278 11 T C 1.215 175.949 174.700 0.057 0.000 0.982 11 T CA -0.878 61.245 62.100 0.039 0.000 0.989 11 T CB 1.164 70.048 68.868 0.026 0.000 1.058 11 T HN 0.459 nan 8.240 nan 0.000 0.529 12 L N 0.919 122.182 121.223 0.067 0.000 2.131 12 L HA 0.012 4.371 4.340 0.031 0.000 0.210 12 L C 3.141 180.059 176.870 0.079 0.000 1.092 12 L CA 1.475 56.388 54.840 0.122 0.000 0.759 12 L CB -0.915 41.219 42.059 0.126 0.000 0.903 12 L HN 0.956 nan 8.230 nan 0.000 0.435 13 A N -0.470 122.363 122.820 0.022 0.000 1.902 13 A HA -0.253 4.085 4.320 0.031 0.000 0.217 13 A C 2.225 179.780 177.584 -0.047 0.000 1.181 13 A CA 1.542 53.559 52.037 -0.032 0.000 0.623 13 A CB -0.425 18.562 19.000 -0.022 0.000 0.818 13 A HN 0.464 nan 8.150 nan 0.000 0.443 14 Q N -0.534 119.262 119.800 -0.007 0.000 2.124 14 Q HA -0.085 4.274 4.340 0.031 0.000 0.202 14 Q C 2.054 178.056 176.000 0.003 0.000 0.977 14 Q CA 1.384 57.186 55.803 -0.002 0.000 0.850 14 Q CB -0.319 28.431 28.738 0.019 0.000 0.901 14 Q HN 0.687 nan 8.270 nan 0.000 0.429 15 L N 0.179 121.429 121.223 0.046 0.000 2.083 15 L HA -0.190 4.169 4.340 0.031 0.000 0.209 15 L C 2.644 179.500 176.870 -0.024 0.000 1.083 15 L CA 1.173 56.085 54.840 0.121 0.000 0.752 15 L CB -0.408 41.813 42.059 0.270 0.000 0.899 15 L HN 0.186 nan 8.230 nan 0.000 0.433 16 R N 0.535 120.802 120.500 -0.388 0.000 2.091 16 R HA -0.196 4.162 4.340 0.031 0.000 0.238 16 R C 2.300 178.387 176.300 -0.355 0.000 1.136 16 R CA 1.553 57.102 56.100 -0.919 0.000 0.959 16 R CB -0.263 29.498 30.300 -0.898 0.000 0.856 16 R HN 0.328 nan 8.270 nan 0.000 0.437 17 A N 0.978 123.687 122.820 -0.184 0.000 1.933 17 A HA -0.107 4.232 4.320 0.031 0.000 0.218 17 A C 2.154 179.710 177.584 -0.048 0.000 1.175 17 A CA 1.359 53.339 52.037 -0.096 0.000 0.628 17 A CB -0.439 18.525 19.000 -0.060 0.000 0.814 17 A HN 0.383 nan 8.150 nan 0.000 0.444 18 I N -1.203 119.361 120.570 -0.010 0.000 2.226 18 I HA -0.277 3.911 4.170 0.031 0.000 0.245 18 I C 2.560 178.704 176.117 0.044 0.000 1.100 18 I CA 1.646 62.966 61.300 0.033 0.000 1.374 18 I CB -0.478 37.563 38.000 0.068 0.000 1.057 18 I HN 0.546 nan 8.210 nan 0.000 0.413 19 H N 1.148 120.190 119.070 -0.048 0.000 2.423 19 H HA -0.101 4.474 4.556 0.031 0.000 0.297 19 H C 2.109 177.388 175.328 -0.080 0.000 1.075 19 H CA 1.564 57.590 56.048 -0.036 0.000 1.342 19 H CB 0.387 30.168 29.762 0.032 0.000 1.395 19 H HN 0.359 nan 8.280 nan 0.000 0.530 20 A N 0.390 123.151 122.820 -0.099 0.000 2.021 20 A HA 0.475 4.814 4.320 0.031 0.000 0.216 20 A C 1.006 178.516 177.584 -0.122 0.000 1.163 20 A CA 0.741 52.696 52.037 -0.136 0.000 0.676 20 A CB 0.010 18.959 19.000 -0.084 0.000 0.818 20 A HN 0.510 nan 8.150 nan 0.000 0.453 21 A N -1.478 121.290 122.820 -0.086 0.000 2.601 21 A HA 0.647 4.985 4.320 0.031 0.000 0.291 21 A C -3.222 174.350 177.584 -0.019 0.000 1.075 21 A CA -1.374 50.630 52.037 -0.055 0.000 0.671 21 A CB 0.205 19.181 19.000 -0.039 0.000 1.277 21 A HN -0.024 nan 8.150 nan 0.000 0.417 22 P HA 0.370 nan 4.420 nan 0.000 0.269 22 P C -0.658 176.673 177.300 0.052 0.000 1.217 22 P CA -0.055 63.085 63.100 0.067 0.000 0.783 22 P CB 0.684 32.433 31.700 0.082 0.000 0.898 23 V N 2.270 122.228 119.914 0.074 0.000 3.007 23 V HA 0.538 4.677 4.120 0.031 0.000 0.311 23 V C -0.957 175.168 176.094 0.051 0.000 1.120 23 V CA -0.823 61.508 62.300 0.053 0.000 0.980 23 V CB 2.329 34.184 31.823 0.054 0.000 1.033 23 V HN 0.368 nan 8.190 nan 0.000 0.429 24 R N 5.202 125.723 120.500 0.035 0.000 2.439 24 R HA 0.656 5.015 4.340 0.031 0.000 0.310 24 R C -1.069 175.246 176.300 0.025 0.000 0.955 24 R CA -0.387 55.730 56.100 0.028 0.000 0.853 24 R CB 1.463 31.775 30.300 0.020 0.000 1.171 24 R HN 0.788 nan 8.270 nan 0.000 0.449 25 L N -0.322 120.916 121.223 0.025 0.000 2.350 25 L HA 0.694 5.052 4.340 0.031 0.000 0.260 25 L C -0.768 176.113 176.870 0.018 0.000 1.015 25 L CA -0.994 53.861 54.840 0.024 0.000 0.821 25 L CB 2.558 44.636 42.059 0.031 0.000 1.370 25 L HN 0.593 nan 8.230 nan 0.000 0.416 26 Q N 1.437 121.247 119.800 0.017 0.000 2.462 26 Q HA 0.609 4.967 4.340 0.031 0.000 0.285 26 Q C -1.700 174.309 176.000 0.015 0.000 1.035 26 Q CA -1.082 54.730 55.803 0.013 0.000 0.799 26 Q CB 2.475 31.218 28.738 0.009 0.000 1.452 26 Q HN 0.731 nan 8.270 nan 0.000 0.404 27 L N 1.511 122.742 121.223 0.013 0.000 2.397 27 L HA 0.267 4.625 4.340 0.031 0.000 0.271 27 L C 0.126 177.003 176.870 0.010 0.000 1.148 27 L CA -0.387 54.461 54.840 0.013 0.000 0.825 27 L CB 0.567 42.632 42.059 0.010 0.000 1.117 27 L HN 0.786 nan 8.230 nan 0.000 0.456 28 D N 1.333 121.740 120.400 0.012 0.000 2.423 28 D HA 0.110 4.768 4.640 0.031 0.000 0.238 28 D C 0.981 177.284 176.300 0.006 0.000 1.142 28 D CA 0.530 54.536 54.000 0.009 0.000 0.884 28 D CB 1.404 42.211 40.800 0.012 0.000 1.199 28 D HN 0.605 nan 8.370 nan 0.000 0.438 29 A N 2.346 125.168 122.820 0.004 0.000 1.986 29 A HA -0.206 4.133 4.320 0.031 0.000 0.220 29 A C 2.083 179.667 177.584 -0.001 0.000 1.171 29 A CA 2.035 54.073 52.037 0.001 0.000 0.640 29 A CB -0.900 18.101 19.000 0.000 0.000 0.811 29 A HN 0.635 nan 8.150 nan 0.000 0.451 30 S N -0.470 115.231 115.700 0.001 0.000 2.507 30 S HA 0.213 4.702 4.470 0.031 0.000 0.235 30 S C 1.762 176.360 174.600 -0.003 0.000 0.988 30 S CA 0.973 59.174 58.200 0.000 0.000 0.944 30 S CB -0.369 62.834 63.200 0.005 0.000 0.762 30 S HN 0.833 nan 8.310 nan 0.000 0.526 31 A N 1.517 124.336 122.820 -0.002 0.000 2.016 31 A HA 0.525 4.864 4.320 0.031 0.000 0.217 31 A C 2.451 180.024 177.584 -0.018 0.000 1.162 31 A CA 1.031 53.065 52.037 -0.005 0.000 0.662 31 A CB -1.197 17.805 19.000 0.003 0.000 0.812 31 A HN 0.770 nan 8.150 nan 0.000 0.450 32 A N 0.761 123.571 122.820 -0.015 0.000 1.908 32 A HA -0.046 4.292 4.320 0.031 0.000 0.218 32 A C 0.236 177.801 177.584 -0.031 0.000 1.181 32 A CA 1.864 53.888 52.037 -0.020 0.000 0.627 32 A CB -1.629 17.362 19.000 -0.015 0.000 0.818 32 A HN 0.442 nan 8.150 nan 0.000 0.445 33 P HA -0.162 nan 4.420 nan 0.000 0.214 33 P C 1.762 179.024 177.300 -0.064 0.000 1.163 33 P CA 2.203 65.279 63.100 -0.040 0.000 0.889 33 P CB -0.143 31.537 31.700 -0.034 0.000 0.790 34 A N -1.212 121.557 122.820 -0.086 0.000 1.929 34 A HA -0.110 4.228 4.320 0.031 0.000 0.216 34 A C 2.218 179.719 177.584 -0.138 0.000 1.176 34 A CA 1.094 53.043 52.037 -0.147 0.000 0.628 34 A CB -1.536 17.332 19.000 -0.220 0.000 0.816 34 A HN 0.085 nan 8.150 nan 0.000 0.444 35 I N 0.168 120.683 120.570 -0.092 0.000 2.127 35 I HA -0.261 3.927 4.170 0.031 0.000 0.241 35 I C 1.702 177.783 176.117 -0.061 0.000 1.075 35 I CA 1.665 62.924 61.300 -0.069 0.000 1.334 35 I CB -0.409 37.567 38.000 -0.039 0.000 1.040 35 I HN 0.232 nan 8.210 nan 0.000 0.405 36 D N 0.828 121.197 120.400 -0.051 0.000 2.224 36 D HA -0.066 4.592 4.640 0.031 0.000 0.205 36 D C 2.177 178.449 176.300 -0.047 0.000 0.965 36 D CA 1.271 55.246 54.000 -0.041 0.000 0.852 36 D CB -0.114 40.667 40.800 -0.032 0.000 0.947 36 D HN 0.345 nan 8.370 nan 0.000 0.494 37 A N 0.834 123.618 122.820 -0.060 0.000 1.968 37 A HA -0.112 4.226 4.320 0.031 0.000 0.217 37 A C 2.305 179.850 177.584 -0.065 0.000 1.169 37 A CA 1.770 53.772 52.037 -0.058 0.000 0.638 37 A CB -0.414 18.546 19.000 -0.067 0.000 0.812 37 A HN 0.296 nan 8.150 nan 0.000 0.446 38 S N -0.419 115.228 115.700 -0.089 0.000 2.406 38 S HA -0.071 4.418 4.470 0.031 0.000 0.228 38 S C 1.701 176.266 174.600 -0.057 0.000 1.020 38 S CA 1.127 59.276 58.200 -0.085 0.000 0.965 38 S CB -0.751 62.378 63.200 -0.118 0.000 0.798 38 S HN 0.207 nan 8.310 nan 0.000 0.488 39 V N 2.716 122.600 119.914 -0.050 0.000 2.295 39 V HA -0.146 3.993 4.120 0.031 0.000 0.246 39 V C 3.140 179.215 176.094 -0.033 0.000 1.049 39 V CA 1.770 64.047 62.300 -0.038 0.000 1.024 39 V CB -1.495 30.309 31.823 -0.033 0.000 0.648 39 V HN 0.660 nan 8.190 nan 0.000 0.447 40 A N -1.504 121.297 122.820 -0.032 0.000 1.972 40 A HA -0.266 4.073 4.320 0.031 0.000 0.219 40 A C 2.356 179.927 177.584 -0.021 0.000 1.169 40 A CA 2.061 54.083 52.037 -0.024 0.000 0.635 40 A CB -1.078 17.908 19.000 -0.023 0.000 0.810 40 A HN 0.578 nan 8.150 nan 0.000 0.446 41 C N -1.373 117.913 119.300 -0.023 0.000 2.453 41 C HA -0.060 4.419 4.460 0.031 0.000 0.277 41 C C 2.777 177.758 174.990 -0.016 0.000 1.262 41 C CA 1.206 60.215 59.018 -0.014 0.000 1.718 41 C CB -1.154 26.578 27.740 -0.012 0.000 2.031 41 C HN 0.468 nan 8.230 nan 0.000 0.480 42 V N 0.561 120.460 119.914 -0.025 0.000 2.287 42 V HA -0.248 3.890 4.120 0.031 0.000 0.248 42 V C 2.292 178.370 176.094 -0.027 0.000 1.053 42 V CA 2.219 64.502 62.300 -0.028 0.000 1.027 42 V CB -0.736 31.066 31.823 -0.034 0.000 0.646 42 V HN 0.608 nan 8.190 nan 0.000 0.447 43 E N -0.506 119.679 120.200 -0.026 0.000 2.110 43 E HA -0.290 4.078 4.350 0.031 0.000 0.193 43 E C 2.275 178.863 176.600 -0.020 0.000 0.988 43 E CA 1.331 57.716 56.400 -0.024 0.000 0.804 43 E CB -0.111 29.576 29.700 -0.022 0.000 0.745 43 E HN 0.664 nan 8.360 nan 0.000 0.458 44 Q N 0.705 120.495 119.800 -0.016 0.000 2.123 44 Q HA -0.145 4.213 4.340 0.031 0.000 0.199 44 Q C 2.137 178.131 176.000 -0.010 0.000 0.966 44 Q CA 0.928 56.725 55.803 -0.011 0.000 0.845 44 Q CB 0.044 28.779 28.738 -0.006 0.000 0.907 44 Q HN 0.294 nan 8.270 nan 0.000 0.439 45 I N 0.520 121.083 120.570 -0.011 0.000 2.208 45 I HA -0.315 3.873 4.170 0.031 0.000 0.245 45 I C 2.162 178.267 176.117 -0.020 0.000 1.097 45 I CA 1.136 62.429 61.300 -0.012 0.000 1.363 45 I CB -0.208 37.785 38.000 -0.012 0.000 1.051 45 I HN 0.293 nan 8.210 nan 0.000 0.413 46 I N 0.601 121.154 120.570 -0.027 0.000 2.252 46 I HA -0.239 3.949 4.170 0.031 0.000 0.245 46 I C 2.768 178.867 176.117 -0.029 0.000 1.102 46 I CA 1.219 62.498 61.300 -0.036 0.000 1.385 46 I CB -0.472 37.501 38.000 -0.044 0.000 1.064 46 I HN 0.162 nan 8.210 nan 0.000 0.414 47 A N 0.213 123.020 122.820 -0.022 0.000 1.972 47 A HA -0.189 4.149 4.320 0.031 0.000 0.219 47 A C 2.060 179.637 177.584 -0.013 0.000 1.169 47 A CA 1.502 53.529 52.037 -0.017 0.000 0.635 47 A CB -0.464 18.528 19.000 -0.013 0.000 0.810 47 A HN 0.459 nan 8.150 nan 0.000 0.446 48 E N -0.580 119.614 120.200 -0.011 0.000 2.479 48 E HA 0.016 4.384 4.350 0.031 0.000 0.193 48 E C -0.569 176.026 176.600 -0.008 0.000 1.049 48 E CA 0.071 56.467 56.400 -0.007 0.000 0.870 48 E CB 0.120 29.818 29.700 -0.003 0.000 0.944 48 E HN 0.415 nan 8.360 nan 0.000 0.492 49 D N 1.409 121.801 120.400 -0.013 0.000 2.772 49 D HA -0.188 4.471 4.640 0.031 0.000 0.233 49 D C -0.235 176.058 176.300 -0.012 0.000 1.143 49 D CA 0.922 54.913 54.000 -0.015 0.000 0.700 49 D CB -0.725 40.069 40.800 -0.011 0.000 1.076 49 D HN 0.280 nan 8.370 nan 0.000 0.430 50 R N -0.175 120.319 120.500 -0.011 0.000 2.543 50 R HA 0.501 4.860 4.340 0.031 0.000 0.268 50 R C 0.884 177.177 176.300 -0.011 0.000 1.067 50 R CA -0.265 55.831 56.100 -0.006 0.000 1.142 50 R CB 1.074 31.374 30.300 0.000 0.000 1.110 50 R HN 0.151 nan 8.270 nan 0.000 0.549 51 T N -1.679 112.873 114.554 -0.004 0.000 2.807 51 T HA 0.679 5.048 4.350 0.031 0.000 0.279 51 T C -0.934 173.770 174.700 0.008 0.000 0.993 51 T CA -0.736 61.359 62.100 -0.008 0.000 0.970 51 T CB 1.644 70.507 68.868 -0.008 0.000 0.950 51 T HN 0.626 nan 8.240 nan 0.000 0.441 52 A N 3.945 126.765 122.820 -0.001 0.000 2.385 52 A HA 0.558 4.896 4.320 0.031 0.000 0.290 52 A C -0.778 176.816 177.584 0.016 0.000 1.094 52 A CA -0.911 51.143 52.037 0.028 0.000 0.729 52 A CB 0.627 19.637 19.000 0.017 0.000 1.194 52 A HN 1.057 nan 8.150 nan 0.000 0.442 53 Y N 2.546 122.825 120.300 -0.034 0.000 2.881 53 Y HA 0.264 4.832 4.550 0.031 0.000 0.335 53 Y C 1.375 177.256 175.900 -0.032 0.000 1.263 53 Y CA 1.867 59.937 58.100 -0.050 0.000 1.572 53 Y CB 0.336 38.796 38.460 -0.000 0.000 1.237 53 Y HN 1.891 nan 8.280 nan 0.000 0.568 54 G N 4.958 113.232 108.800 -0.876 0.000 2.179 54 G HA2 -0.280 3.699 3.960 0.031 0.000 0.260 54 G HA3 -0.280 3.699 3.960 0.031 0.000 0.260 54 G C 0.470 175.201 174.900 -0.282 0.000 0.977 54 G CA 0.429 45.133 45.100 -0.661 0.000 0.641 54 G HN 0.583 nan 8.290 nan 0.000 0.533 55 I N 0.555 120.994 120.570 -0.218 0.000 3.393 55 I HA 0.179 4.368 4.170 0.031 0.000 0.250 55 I C 1.574 177.604 176.117 -0.145 0.000 1.122 55 I CA 1.751 62.973 61.300 -0.131 0.000 1.484 55 I CB -0.805 37.149 38.000 -0.077 0.000 1.468 55 I HN 0.389 nan 8.210 nan 0.000 0.461 56 N N 1.118 119.728 118.700 -0.149 0.000 2.305 56 N HA 0.023 4.782 4.740 0.031 0.000 0.248 56 N C 0.057 175.470 175.510 -0.163 0.000 1.290 56 N CA -0.122 52.846 53.050 -0.138 0.000 0.873 56 N CB -0.152 38.277 38.487 -0.096 0.000 1.261 56 N HN 0.284 nan 8.380 nan 0.000 0.504 57 T N -3.634 110.775 114.554 -0.240 0.000 2.897 57 T HA 0.775 5.143 4.350 0.031 0.000 0.278 57 T C 0.891 175.350 174.700 -0.401 0.000 0.981 57 T CA -0.366 61.577 62.100 -0.261 0.000 0.973 57 T CB 1.558 70.284 68.868 -0.237 0.000 1.092 57 T HN 0.130 nan 8.240 nan 0.000 0.543 58 G N -0.523 108.080 108.800 -0.328 0.000 2.509 58 G HA2 0.573 4.551 3.960 0.031 0.000 0.269 58 G HA3 0.573 4.551 3.960 0.031 0.000 0.269 58 G C -1.120 173.369 174.900 -0.686 0.000 1.416 58 G CA -0.897 43.976 45.100 -0.379 0.000 1.052 58 G HN 0.572 nan 8.290 nan 0.000 0.542 59 F N -1.517 118.458 119.950 0.041 0.000 2.575 59 F HA 0.626 5.172 4.527 0.032 0.000 0.330 59 F C 1.092 176.939 175.800 0.079 0.000 1.056 59 F CA 0.404 58.456 58.000 0.087 0.000 0.964 59 F CB 1.604 40.644 39.000 0.067 0.000 1.258 59 F HN 1.036 nan 8.300 nan 0.000 0.484 60 G N 1.033 110.001 108.800 0.280 0.000 2.561 60 G HA2 -0.359 3.620 3.960 0.031 0.000 0.289 60 G HA3 -0.359 3.620 3.960 0.031 0.000 0.289 60 G C 1.007 175.968 174.900 0.100 0.000 1.169 60 G CA 0.457 45.652 45.100 0.159 0.000 0.980 60 G HN 0.872 nan 8.290 nan 0.000 0.550 61 L N -0.431 120.837 121.223 0.075 0.000 2.043 61 L HA -0.053 4.305 4.340 0.031 0.000 0.212 61 L C 2.283 179.176 176.870 0.039 0.000 1.075 61 L CA 1.904 56.773 54.840 0.049 0.000 0.752 61 L CB -0.251 41.831 42.059 0.040 0.000 0.891 61 L HN 0.475 nan 8.230 nan 0.000 0.432 62 L N -0.278 120.967 121.223 0.036 0.000 2.627 62 L HA 0.123 4.482 4.340 0.031 0.000 0.232 62 L C 2.382 179.245 176.870 -0.011 0.000 1.150 62 L CA 0.948 55.791 54.840 0.005 0.000 0.917 62 L CB -1.852 40.199 42.059 -0.012 0.000 1.104 62 L HN 0.230 nan 8.230 nan 0.000 0.445 63 A N 0.230 123.071 122.820 0.036 0.000 1.972 63 A HA -0.105 4.233 4.320 0.031 0.000 0.219 63 A C 1.652 179.286 177.584 0.083 0.000 1.169 63 A CA 1.636 53.724 52.037 0.085 0.000 0.635 63 A CB -0.237 18.861 19.000 0.164 0.000 0.810 63 A HN 0.477 nan 8.150 nan 0.000 0.446 64 S N -0.642 115.083 115.700 0.042 0.000 2.499 64 S HA 0.386 4.874 4.470 0.031 0.000 0.238 64 S C -0.289 174.314 174.600 0.005 0.000 1.205 64 S CA -0.416 57.802 58.200 0.031 0.000 1.203 64 S CB 0.164 63.384 63.200 0.033 0.000 0.954 64 S HN 0.137 nan 8.310 nan 0.000 0.484 65 T N 2.704 117.249 114.554 -0.015 0.000 2.809 65 T HA 0.356 4.725 4.350 0.031 0.000 0.296 65 T C -0.091 174.582 174.700 -0.045 0.000 1.015 65 T CA -0.579 61.508 62.100 -0.022 0.000 0.954 65 T CB 1.011 69.871 68.868 -0.015 0.000 0.950 65 T HN 0.480 nan 8.240 nan 0.000 0.450 66 R N 5.335 125.813 120.500 -0.037 0.000 2.357 66 R HA 0.252 4.611 4.340 0.031 0.000 0.330 66 R C 0.560 176.827 176.300 -0.054 0.000 1.102 66 R CA -0.342 55.727 56.100 -0.052 0.000 0.974 66 R CB -0.390 29.886 30.300 -0.039 0.000 1.002 66 R HN 0.715 nan 8.270 nan 0.000 0.463 67 I N 1.128 121.654 120.570 -0.074 0.000 2.764 67 I HA 0.455 4.644 4.170 0.031 0.000 0.294 67 I C 0.306 176.375 176.117 -0.079 0.000 1.045 67 I CA -0.893 60.371 61.300 -0.059 0.000 1.340 67 I CB 1.159 39.124 38.000 -0.059 0.000 1.436 67 I HN 0.568 nan 8.210 nan 0.000 0.567 68 A N 3.787 126.568 122.820 -0.065 0.000 2.406 68 A HA 0.260 4.599 4.320 0.031 0.000 0.243 68 A C 1.457 178.820 177.584 -0.368 0.000 1.082 68 A CA 0.238 52.180 52.037 -0.159 0.000 0.786 68 A CB 0.025 19.048 19.000 0.039 0.000 1.029 68 A HN 0.992 nan 8.150 nan 0.000 0.495 69 S N 1.136 116.404 115.700 -0.721 0.000 2.404 69 S HA -0.366 4.123 4.470 0.031 0.000 0.230 69 S C 1.531 175.921 174.600 -0.349 0.000 1.046 69 S CA 2.417 60.268 58.200 -0.582 0.000 1.135 69 S CB -1.566 61.208 63.200 -0.710 0.000 1.056 69 S HN 0.914 nan 8.310 nan 0.000 0.426 70 H N 2.778 121.839 119.070 -0.015 0.000 2.266 70 H HA -0.178 4.396 4.556 0.031 0.000 0.286 70 H C 1.849 177.171 175.328 -0.012 0.000 1.102 70 H CA 1.691 57.732 56.048 -0.012 0.000 1.182 70 H CB -0.875 28.881 29.762 -0.010 0.000 1.345 70 H HN 0.372 nan 8.280 nan 0.000 0.485 71 D N 0.122 120.575 120.400 0.087 0.000 2.218 71 D HA -0.087 4.571 4.640 0.031 0.000 0.204 71 D C 2.062 178.358 176.300 -0.007 0.000 0.976 71 D CA 0.570 54.592 54.000 0.038 0.000 0.853 71 D CB -0.260 40.560 40.800 0.033 0.000 0.939 71 D HN 0.222 nan 8.370 nan 0.000 0.481 72 L N 0.754 121.947 121.223 -0.050 0.000 2.131 72 L HA -0.003 4.356 4.340 0.031 0.000 0.206 72 L C 2.043 178.890 176.870 -0.038 0.000 1.087 72 L CA 1.481 56.286 54.840 -0.059 0.000 0.767 72 L CB -0.372 41.628 42.059 -0.098 0.000 0.917 72 L HN -0.088 nan 8.230 nan 0.000 0.441 73 E N -0.547 119.635 120.200 -0.031 0.000 2.038 73 E HA -0.259 4.110 4.350 0.031 0.000 0.195 73 E C 1.758 178.355 176.600 -0.006 0.000 1.000 73 E CA 1.537 57.927 56.400 -0.016 0.000 0.803 73 E CB 0.033 29.730 29.700 -0.005 0.000 0.750 73 E HN 0.519 nan 8.360 nan 0.000 0.448 74 N N 0.680 119.383 118.700 0.006 0.000 2.166 74 N HA -0.163 4.596 4.740 0.031 0.000 0.186 74 N C 1.808 177.322 175.510 0.007 0.000 1.019 74 N CA 0.564 53.620 53.050 0.009 0.000 0.856 74 N CB -0.418 38.081 38.487 0.021 0.000 0.993 74 N HN 0.169 nan 8.380 nan 0.000 0.426 75 L N 1.815 123.044 121.223 0.010 0.000 2.079 75 L HA -0.160 4.198 4.340 0.031 0.000 0.210 75 L C 1.954 178.829 176.870 0.009 0.000 1.081 75 L CA 1.684 56.538 54.840 0.023 0.000 0.752 75 L CB -0.694 41.385 42.059 0.033 0.000 0.896 75 L HN 0.078 nan 8.230 nan 0.000 0.433 76 Q N -0.365 119.430 119.800 -0.008 0.000 2.084 76 Q HA -0.240 4.119 4.340 0.031 0.000 0.202 76 Q C 2.395 178.369 176.000 -0.042 0.000 0.978 76 Q CA 1.877 57.663 55.803 -0.028 0.000 0.844 76 Q CB -0.605 28.116 28.738 -0.028 0.000 0.898 76 Q HN 0.589 nan 8.270 nan 0.000 0.426 77 R N 0.390 120.874 120.500 -0.027 0.000 2.075 77 R HA -0.050 4.309 4.340 0.031 0.000 0.232 77 R C 2.323 178.604 176.300 -0.031 0.000 1.126 77 R CA 1.400 57.484 56.100 -0.027 0.000 0.963 77 R CB 0.037 30.329 30.300 -0.015 0.000 0.858 77 R HN 0.111 nan 8.270 nan 0.000 0.435 78 S N 1.095 116.783 115.700 -0.020 0.000 2.383 78 S HA -0.120 4.368 4.470 0.031 0.000 0.229 78 S C 1.873 176.453 174.600 -0.034 0.000 1.030 78 S CA 1.186 59.379 58.200 -0.011 0.000 1.002 78 S CB -0.187 63.019 63.200 0.010 0.000 0.829 78 S HN 0.280 nan 8.310 nan 0.000 0.467 79 L N 0.874 122.039 121.223 -0.097 0.000 2.017 79 L HA -0.113 4.245 4.340 0.031 0.000 0.208 79 L C 2.362 179.075 176.870 -0.261 0.000 1.073 79 L CA 1.043 55.714 54.840 -0.282 0.000 0.745 79 L CB -0.714 41.123 42.059 -0.370 0.000 0.894 79 L HN 0.207 nan 8.230 nan 0.000 0.432 80 V N 0.020 119.842 119.914 -0.154 0.000 2.295 80 V HA -0.298 3.841 4.120 0.031 0.000 0.246 80 V C 2.384 178.443 176.094 -0.060 0.000 1.049 80 V CA 1.670 63.910 62.300 -0.099 0.000 1.024 80 V CB -0.418 31.363 31.823 -0.070 0.000 0.648 80 V HN 0.333 nan 8.190 nan 0.000 0.447 81 L N 0.799 121.995 121.223 -0.046 0.000 2.017 81 L HA -0.163 4.195 4.340 0.031 0.000 0.208 81 L C 2.745 179.604 176.870 -0.019 0.000 1.073 81 L CA 2.018 56.833 54.840 -0.041 0.000 0.745 81 L CB -0.755 41.288 42.059 -0.026 0.000 0.894 81 L HN 0.561 nan 8.230 nan 0.000 0.432 82 S N -1.717 114.006 115.700 0.038 0.000 2.423 82 S HA -0.182 4.307 4.470 0.031 0.000 0.231 82 S C 1.733 176.387 174.600 0.090 0.000 1.014 82 S CA 0.856 59.099 58.200 0.073 0.000 0.965 82 S CB -0.517 62.754 63.200 0.120 0.000 0.785 82 S HN 0.442 nan 8.310 nan 0.000 0.495 83 H N 1.834 120.848 119.070 -0.094 0.000 2.535 83 H HA 0.512 5.087 4.556 0.032 0.000 0.273 83 H C 1.113 176.382 175.328 -0.099 0.000 0.983 83 H CA 0.100 56.093 56.048 -0.091 0.000 1.238 83 H CB -0.346 29.357 29.762 -0.097 0.000 1.412 83 H HN 0.558 nan 8.280 nan 0.000 0.562 84 A N 0.869 123.636 122.820 -0.088 0.000 2.990 84 A HA 0.555 4.894 4.320 0.031 0.000 0.282 84 A C 0.788 178.251 177.584 -0.202 0.000 1.688 84 A CA 0.372 52.162 52.037 -0.411 0.000 1.391 84 A CB -0.824 17.755 19.000 -0.702 0.000 1.112 84 A HN 0.369 nan 8.150 nan 0.000 0.588 85 A N 1.579 124.449 122.820 0.083 0.000 2.643 85 A HA 0.587 4.926 4.320 0.031 0.000 0.295 85 A C 0.895 178.594 177.584 0.192 0.000 1.065 85 A CA 0.327 52.435 52.037 0.118 0.000 0.986 85 A CB -0.269 18.735 19.000 0.007 0.000 1.212 85 A HN 0.968 nan 8.150 nan 0.000 0.516 86 G N -0.207 108.834 108.800 0.401 0.000 2.547 86 G HA2 0.576 4.554 3.960 0.031 0.000 0.291 86 G HA3 0.576 4.554 3.960 0.031 0.000 0.291 86 G C -0.421 174.510 174.900 0.051 0.000 1.211 86 G CA -0.199 44.975 45.100 0.123 0.000 0.950 86 G HN 0.149 nan 8.290 nan 0.000 0.504 87 I N -0.752 119.818 120.570 0.000 0.000 3.004 87 I HA 0.690 4.879 4.170 0.031 0.000 0.305 87 I C 0.552 176.674 176.117 0.008 0.000 1.312 87 I CA 0.511 61.819 61.300 0.014 0.000 0.992 87 I CB 1.325 39.339 38.000 0.022 0.000 1.282 87 I HN 1.273 nan 8.210 nan 0.000 0.449 88 G N 2.520 111.334 108.800 0.024 0.000 2.498 88 G HA2 0.325 4.303 3.960 0.031 0.000 0.651 88 G HA3 0.325 4.303 3.960 0.031 0.000 0.651 88 G C -0.505 174.427 174.900 0.053 0.000 1.284 88 G CA -0.290 44.829 45.100 0.032 0.000 0.950 88 G HN 1.130 nan 8.290 nan 0.000 0.511 89 A N 0.722 123.579 122.820 0.062 0.000 2.483 89 A HA 0.653 4.992 4.320 0.031 0.000 0.238 89 A C -1.678 175.961 177.584 0.092 0.000 1.070 89 A CA 0.031 52.123 52.037 0.091 0.000 0.770 89 A CB -0.287 18.766 19.000 0.089 0.000 1.008 89 A HN 0.656 nan 8.150 nan 0.000 0.497 90 P HA 0.235 nan 4.420 nan 0.000 0.271 90 P C -0.433 176.921 177.300 0.091 0.000 1.216 90 P CA -0.072 63.097 63.100 0.116 0.000 0.776 90 P CB 0.377 32.325 31.700 0.413 0.000 0.881 91 L N 2.934 124.172 121.223 0.026 0.000 2.467 91 L HA 0.099 4.458 4.340 0.031 0.000 0.270 91 L C 1.334 178.215 176.870 0.018 0.000 1.205 91 L CA -0.130 54.727 54.840 0.028 0.000 0.828 91 L CB -0.011 42.075 42.059 0.044 0.000 1.101 91 L HN 0.494 nan 8.230 nan 0.000 0.479 92 D N 0.727 121.092 120.400 -0.059 0.000 2.357 92 D HA -0.043 4.616 4.640 0.031 0.000 0.242 92 D C -0.003 176.195 176.300 -0.169 0.000 1.153 92 D CA -0.566 53.371 54.000 -0.106 0.000 0.918 92 D CB 1.216 41.926 40.800 -0.150 0.000 1.181 92 D HN 0.435 nan 8.370 nan 0.000 0.435 93 D N 0.449 120.695 120.400 -0.257 0.000 2.144 93 D HA -0.147 4.512 4.640 0.031 0.000 0.199 93 D C 1.299 177.242 176.300 -0.595 0.000 0.984 93 D CA 0.979 54.671 54.000 -0.512 0.000 0.834 93 D CB -0.104 40.307 40.800 -0.648 0.000 0.955 93 D HN 0.419 nan 8.370 nan 0.000 0.465 94 D N 0.073 120.223 120.400 -0.416 0.000 2.123 94 D HA -0.124 4.534 4.640 0.031 0.000 0.196 94 D C 2.120 178.280 176.300 -0.233 0.000 0.992 94 D CA 0.375 54.159 54.000 -0.360 0.000 0.833 94 D CB -0.199 40.358 40.800 -0.405 0.000 0.954 94 D HN 0.154 nan 8.370 nan 0.000 0.455 95 L N 0.402 121.514 121.223 -0.186 0.000 2.109 95 L HA -0.081 4.278 4.340 0.031 0.000 0.207 95 L C 2.267 179.147 176.870 0.017 0.000 1.086 95 L CA 0.959 55.773 54.840 -0.043 0.000 0.760 95 L CB -0.284 41.727 42.059 -0.079 0.000 0.910 95 L HN -0.146 nan 8.230 nan 0.000 0.437 96 V N -0.073 119.823 119.914 -0.030 0.000 2.332 96 V HA -0.329 3.809 4.120 0.031 0.000 0.248 96 V C 2.744 178.889 176.094 0.084 0.000 1.055 96 V CA 2.157 64.487 62.300 0.050 0.000 1.038 96 V CB -0.770 31.101 31.823 0.080 0.000 0.651 96 V HN 0.513 nan 8.190 nan 0.000 0.450 97 R N -0.287 120.203 120.500 -0.018 0.000 2.083 97 R HA -0.206 4.152 4.340 0.031 0.000 0.237 97 R C 2.300 178.663 176.300 0.105 0.000 1.137 97 R CA 2.003 58.165 56.100 0.103 0.000 0.951 97 R CB -0.417 29.887 30.300 0.006 0.000 0.851 97 R HN 0.437 nan 8.270 nan 0.000 0.434 98 L N 1.139 122.411 121.223 0.082 0.000 2.012 98 L HA -0.135 4.223 4.340 0.031 0.000 0.210 98 L C 2.062 179.001 176.870 0.114 0.000 1.073 98 L CA 1.689 56.600 54.840 0.119 0.000 0.748 98 L CB -0.371 41.790 42.059 0.170 0.000 0.891 98 L HN 0.275 nan 8.230 nan 0.000 0.431 99 I N -1.223 119.416 120.570 0.115 0.000 2.163 99 I HA -0.369 3.820 4.170 0.031 0.000 0.243 99 I C 2.518 178.693 176.117 0.096 0.000 1.085 99 I CA 1.712 63.074 61.300 0.103 0.000 1.347 99 I CB -0.332 37.734 38.000 0.110 0.000 1.044 99 I HN 0.320 nan 8.210 nan 0.000 0.408 100 M N -0.174 119.493 119.600 0.113 0.000 2.080 100 M HA -0.191 4.307 4.480 0.031 0.000 0.260 100 M C 2.470 178.825 176.300 0.092 0.000 1.068 100 M CA 1.650 57.014 55.300 0.108 0.000 1.109 100 M CB -0.530 32.152 32.600 0.138 0.000 1.342 100 M HN 0.137 nan 8.290 nan 0.000 0.405 101 V N 0.868 120.839 119.914 0.097 0.000 2.407 101 V HA -0.248 3.891 4.120 0.031 0.000 0.248 101 V C 2.360 178.498 176.094 0.073 0.000 1.055 101 V CA 1.476 63.825 62.300 0.083 0.000 1.049 101 V CB -0.673 31.201 31.823 0.086 0.000 0.662 101 V HN 0.456 nan 8.190 nan 0.000 0.455 102 L N -0.152 121.116 121.223 0.076 0.000 2.046 102 L HA -0.198 4.161 4.340 0.031 0.000 0.208 102 L C 2.616 179.522 176.870 0.059 0.000 1.077 102 L CA 1.664 56.544 54.840 0.066 0.000 0.747 102 L CB -0.596 41.500 42.059 0.062 0.000 0.896 102 L HN 0.299 nan 8.230 nan 0.000 0.432 103 K N 1.116 121.552 120.400 0.061 0.000 2.025 103 K HA -0.128 4.210 4.320 0.031 0.000 0.207 103 K C 1.845 178.477 176.600 0.053 0.000 1.049 103 K CA 1.497 57.818 56.287 0.055 0.000 0.933 103 K CB -0.410 32.123 32.500 0.056 0.000 0.714 103 K HN 0.140 nan 8.250 nan 0.000 0.438 104 I N 1.063 121.666 120.570 0.054 0.000 2.118 104 I HA -0.361 3.828 4.170 0.031 0.000 0.241 104 I C 2.215 178.361 176.117 0.049 0.000 1.070 104 I CA 1.769 63.098 61.300 0.048 0.000 1.327 104 I CB -0.532 37.496 38.000 0.048 0.000 1.034 104 I HN 0.336 nan 8.210 nan 0.000 0.405 105 N N 0.182 118.914 118.700 0.054 0.000 2.069 105 N HA -0.226 4.533 4.740 0.031 0.000 0.191 105 N C 1.982 177.530 175.510 0.063 0.000 1.031 105 N CA 1.986 55.069 53.050 0.055 0.000 0.852 105 N CB -0.197 38.324 38.487 0.056 0.000 1.018 105 N HN 0.225 nan 8.380 nan 0.000 0.423 106 S N -0.511 115.227 115.700 0.062 0.000 2.356 106 S HA 0.007 4.495 4.470 0.031 0.000 0.223 106 S C 1.950 176.600 174.600 0.083 0.000 1.032 106 S CA 0.959 59.201 58.200 0.071 0.000 1.005 106 S CB -0.438 62.797 63.200 0.060 0.000 0.867 106 S HN 0.388 nan 8.310 nan 0.000 0.449 107 L N 1.012 122.274 121.223 0.065 0.000 2.131 107 L HA -0.028 4.331 4.340 0.031 0.000 0.210 107 L C 2.419 179.322 176.870 0.054 0.000 1.092 107 L CA 1.122 55.997 54.840 0.058 0.000 0.759 107 L CB -0.474 41.608 42.059 0.040 0.000 0.903 107 L HN 0.282 nan 8.230 nan 0.000 0.435 108 S N -0.647 115.084 115.700 0.051 0.000 2.603 108 S HA -0.008 4.480 4.470 0.031 0.000 0.229 108 S C 1.775 176.402 174.600 0.044 0.000 0.972 108 S CA 0.393 58.615 58.200 0.037 0.000 0.935 108 S CB -0.166 63.054 63.200 0.033 0.000 0.769 108 S HN 0.357 nan 8.310 nan 0.000 0.536 109 R N 0.562 121.117 120.500 0.092 0.000 2.280 109 R HA 0.068 4.427 4.340 0.031 0.000 0.207 109 R C 1.588 177.905 176.300 0.028 0.000 1.043 109 R CA 0.605 56.788 56.100 0.139 0.000 1.006 109 R CB -0.167 30.308 30.300 0.290 0.000 0.885 109 R HN 0.448 nan 8.270 nan 0.000 0.467 110 G N -0.051 108.736 108.800 -0.021 0.000 2.141 110 G HA2 -0.255 3.724 3.960 0.031 0.000 0.231 110 G HA3 -0.255 3.724 3.960 0.031 0.000 0.231 110 G C 0.337 175.037 174.900 -0.333 0.000 0.984 110 G CA -0.235 44.749 45.100 -0.192 0.000 0.660 110 G HN 0.349 nan 8.290 nan 0.000 0.525 111 F N 1.002 120.911 119.950 -0.068 0.000 2.664 111 F HA 0.354 4.900 4.527 0.032 0.000 0.303 111 F C 1.925 177.622 175.800 -0.172 0.000 1.092 111 F CA 0.824 58.728 58.000 -0.161 0.000 1.305 111 F CB 1.005 39.901 39.000 -0.172 0.000 1.054 111 F HN 0.175 nan 8.300 nan 0.000 0.565 112 S N -0.869 114.852 115.700 0.034 0.000 2.526 112 S HA 0.286 4.775 4.470 0.031 0.000 0.220 112 S C 1.744 176.333 174.600 -0.019 0.000 1.017 112 S CA 0.447 58.654 58.200 0.013 0.000 0.930 112 S CB 0.566 63.787 63.200 0.036 0.000 0.856 112 S HN 0.450 nan 8.310 nan 0.000 0.497 113 G N 2.011 110.788 108.800 -0.037 0.000 2.160 113 G HA2 -0.270 3.708 3.960 0.031 0.000 0.251 113 G HA3 -0.270 3.708 3.960 0.031 0.000 0.251 113 G C 0.003 174.885 174.900 -0.029 0.000 1.008 113 G CA 0.369 45.445 45.100 -0.040 0.000 0.724 113 G HN 0.558 nan 8.290 nan 0.000 0.514 114 I N 0.247 120.805 120.570 -0.021 0.000 2.392 114 I HA 0.573 4.762 4.170 0.031 0.000 0.295 114 I C 0.919 177.026 176.117 -0.017 0.000 0.985 114 I CA -1.384 59.906 61.300 -0.016 0.000 1.221 114 I CB 0.571 38.568 38.000 -0.006 0.000 1.366 114 I HN 0.146 nan 8.210 nan 0.000 0.467 115 R N 5.146 125.636 120.500 -0.016 0.000 2.640 115 R HA 0.006 4.364 4.340 0.031 0.000 0.270 115 R C 1.111 177.404 176.300 -0.011 0.000 1.024 115 R CA 0.110 56.201 56.100 -0.016 0.000 1.085 115 R CB 0.363 30.654 30.300 -0.015 0.000 0.963 115 R HN 0.618 nan 8.270 nan 0.000 0.426 116 R N 2.780 123.273 120.500 -0.013 0.000 2.127 116 R HA -0.227 4.132 4.340 0.031 0.000 0.238 116 R C 1.915 178.211 176.300 -0.006 0.000 1.134 116 R CA 2.051 58.145 56.100 -0.009 0.000 0.975 116 R CB -0.023 30.270 30.300 -0.011 0.000 0.865 116 R HN 0.552 nan 8.270 nan 0.000 0.447 117 K N -0.174 120.222 120.400 -0.007 0.000 2.103 117 K HA -0.117 4.222 4.320 0.031 0.000 0.207 117 K C 1.578 178.176 176.600 -0.004 0.000 1.048 117 K CA 1.707 57.990 56.287 -0.006 0.000 0.930 117 K CB 0.065 32.560 32.500 -0.008 0.000 0.716 117 K HN 0.110 nan 8.250 nan 0.000 0.444 118 V N 1.554 121.466 119.914 -0.004 0.000 2.379 118 V HA -0.196 3.942 4.120 0.031 0.000 0.245 118 V C 2.312 178.409 176.094 0.005 0.000 1.044 118 V CA 1.525 63.825 62.300 -0.000 0.000 1.036 118 V CB -0.331 31.491 31.823 -0.002 0.000 0.664 118 V HN 0.307 nan 8.190 nan 0.000 0.453 119 I N 0.413 120.987 120.570 0.006 0.000 2.208 119 I HA -0.263 3.926 4.170 0.031 0.000 0.245 119 I C 2.196 178.319 176.117 0.011 0.000 1.097 119 I CA 1.710 63.017 61.300 0.012 0.000 1.363 119 I CB -0.495 37.512 38.000 0.012 0.000 1.051 119 I HN 0.300 nan 8.210 nan 0.000 0.413 120 D N 0.825 121.228 120.400 0.005 0.000 2.219 120 D HA -0.077 4.581 4.640 0.031 0.000 0.205 120 D C 2.202 178.503 176.300 0.001 0.000 0.970 120 D CA 1.222 55.224 54.000 0.003 0.000 0.851 120 D CB -0.031 40.768 40.800 -0.001 0.000 0.943 120 D HN 0.351 nan 8.370 nan 0.000 0.488 121 A N 0.428 123.248 122.820 0.000 0.000 1.898 121 A HA -0.090 4.248 4.320 0.031 0.000 0.216 121 A C 2.318 179.904 177.584 0.003 0.000 1.181 121 A CA 0.713 52.748 52.037 -0.002 0.000 0.620 121 A CB -0.666 18.333 19.000 -0.002 0.000 0.819 121 A HN 0.200 nan 8.150 nan 0.000 0.442 122 L N -0.491 120.740 121.223 0.013 0.000 2.046 122 L HA -0.193 4.165 4.340 0.031 0.000 0.208 122 L C 2.474 179.357 176.870 0.022 0.000 1.077 122 L CA 1.286 56.141 54.840 0.024 0.000 0.747 122 L CB -0.501 41.579 42.059 0.035 0.000 0.896 122 L HN 0.384 nan 8.230 nan 0.000 0.432 123 I N -0.214 120.367 120.570 0.019 0.000 2.208 123 I HA -0.313 3.876 4.170 0.031 0.000 0.245 123 I C 2.784 178.903 176.117 0.003 0.000 1.097 123 I CA 1.202 62.512 61.300 0.017 0.000 1.363 123 I CB -0.466 37.543 38.000 0.016 0.000 1.051 123 I HN 0.224 nan 8.210 nan 0.000 0.413 124 A N 0.900 123.716 122.820 -0.007 0.000 1.940 124 A HA -0.167 4.171 4.320 0.031 0.000 0.219 124 A C 2.297 179.854 177.584 -0.043 0.000 1.176 124 A CA 1.410 53.433 52.037 -0.024 0.000 0.631 124 A CB -0.779 18.205 19.000 -0.026 0.000 0.814 124 A HN 0.385 nan 8.150 nan 0.000 0.446 125 L N -0.704 120.494 121.223 -0.040 0.000 2.017 125 L HA -0.166 4.192 4.340 0.031 0.000 0.208 125 L C 2.555 179.361 176.870 -0.107 0.000 1.073 125 L CA 1.183 55.978 54.840 -0.075 0.000 0.745 125 L CB -0.704 41.332 42.059 -0.039 0.000 0.894 125 L HN 0.243 nan 8.230 nan 0.000 0.432 126 V N 0.281 120.176 119.914 -0.033 0.000 2.282 126 V HA -0.311 3.828 4.120 0.031 0.000 0.249 126 V C 2.214 178.298 176.094 -0.017 0.000 1.057 126 V CA 2.063 64.367 62.300 0.007 0.000 1.032 126 V CB -0.722 31.144 31.823 0.072 0.000 0.645 126 V HN 0.498 nan 8.190 nan 0.000 0.447 127 N N 0.391 119.082 118.700 -0.014 0.000 2.244 127 N HA -0.068 4.690 4.740 0.031 0.000 0.183 127 N C 1.633 177.131 175.510 -0.021 0.000 1.016 127 N CA 1.492 54.538 53.050 -0.006 0.000 0.866 127 N CB -0.408 38.076 38.487 -0.005 0.000 0.980 127 N HN 0.522 nan 8.380 nan 0.000 0.430 128 A N 0.463 123.245 122.820 -0.063 0.000 2.208 128 A HA 0.035 4.373 4.320 0.031 0.000 0.209 128 A C 0.237 177.788 177.584 -0.054 0.000 1.161 128 A CA 0.136 52.131 52.037 -0.070 0.000 0.782 128 A CB -0.250 18.668 19.000 -0.138 0.000 0.816 128 A HN 0.343 nan 8.150 nan 0.000 0.477 129 E N -1.227 118.866 120.200 -0.179 0.000 2.340 129 E HA -0.131 4.238 4.350 0.031 0.000 0.240 129 E C -0.885 175.340 176.600 -0.625 0.000 1.154 129 E CA 0.448 56.610 56.400 -0.396 0.000 0.717 129 E CB -2.085 27.623 29.700 0.013 0.000 1.250 129 E HN 0.278 nan 8.360 nan 0.000 0.386 130 V N 1.657 121.163 119.914 -0.680 0.000 2.357 130 V HA 0.344 4.483 4.120 0.031 0.000 0.284 130 V C -0.569 175.256 176.094 -0.448 0.000 1.018 130 V CA -0.474 61.587 62.300 -0.399 0.000 0.841 130 V CB 0.560 32.254 31.823 -0.216 0.000 0.991 130 V HN 0.169 nan 8.190 nan 0.000 0.437 131 Y N 5.646 126.016 120.300 0.117 0.000 2.388 131 Y HA 0.467 5.036 4.550 0.032 0.000 0.328 131 Y C -2.301 173.713 175.900 0.191 0.000 0.963 131 Y CA -3.329 54.841 58.100 0.116 0.000 1.240 131 Y CB 1.397 39.898 38.460 0.069 0.000 1.118 131 Y HN 0.480 nan 8.280 nan 0.000 0.484 132 P HA -0.115 nan 4.420 nan 0.000 0.265 132 P C 0.033 177.582 177.300 0.415 0.000 1.187 132 P CA 0.356 63.652 63.100 0.326 0.000 0.766 132 P CB 0.395 32.233 31.700 0.230 0.000 0.820 133 H N 4.263 123.563 119.070 0.383 0.000 3.004 133 H HA 0.115 4.690 4.556 0.031 0.000 0.316 133 H C -0.588 174.845 175.328 0.174 0.000 1.014 133 H CA 0.681 56.892 56.048 0.271 0.000 1.454 133 H CB 0.010 29.721 29.762 -0.085 0.000 1.472 133 H HN 0.282 nan 8.280 nan 0.000 0.571 134 I N 8.943 129.224 120.570 -0.483 0.000 2.478 134 I HA 0.214 4.403 4.170 0.031 0.000 0.287 134 I C -2.408 173.355 176.117 -0.590 0.000 1.042 134 I CA -2.069 58.997 61.300 -0.391 0.000 1.067 134 I CB 2.505 40.474 38.000 -0.051 0.000 1.233 134 I HN 0.469 nan 8.210 nan 0.000 0.431 135 P HA 0.096 nan 4.420 nan 0.000 0.277 135 P C 0.469 177.714 177.300 -0.092 0.000 1.240 135 P CA -0.502 62.412 63.100 -0.311 0.000 0.798 135 P CB 1.822 33.360 31.700 -0.269 0.000 0.979 136 L N 1.701 122.928 121.223 0.007 0.000 2.093 136 L HA -0.011 4.348 4.340 0.031 0.000 0.208 136 L C 0.817 177.767 176.870 0.133 0.000 1.085 136 L CA 1.962 56.864 54.840 0.105 0.000 0.755 136 L CB -0.566 41.535 42.059 0.069 0.000 0.904 136 L HN 0.328 nan 8.230 nan 0.000 0.435 137 K N -2.049 118.383 120.400 0.053 0.000 2.221 137 K HA 0.605 4.943 4.320 0.031 0.000 0.243 137 K C 0.293 176.906 176.600 0.022 0.000 0.968 137 K CA -0.035 56.276 56.287 0.041 0.000 0.846 137 K CB 1.602 34.111 32.500 0.016 0.000 1.141 137 K HN 0.048 nan 8.250 nan 0.000 0.434 138 G N 0.155 108.961 108.800 0.011 0.000 3.006 138 G HA2 -0.212 3.767 3.960 0.031 0.000 0.195 138 G HA3 -0.212 3.767 3.960 0.031 0.000 0.195 138 G C 0.054 174.942 174.900 -0.019 0.000 1.034 138 G CA -0.184 44.916 45.100 0.000 0.000 0.807 138 G HN 0.527 nan 8.290 nan 0.000 0.469 139 S N 0.651 116.335 115.700 -0.027 0.000 2.564 139 S HA 0.439 4.928 4.470 0.031 0.000 0.278 139 S C 1.531 176.088 174.600 -0.071 0.000 1.333 139 S CA 0.460 58.625 58.200 -0.058 0.000 1.048 139 S CB 1.472 64.619 63.200 -0.087 0.000 0.900 139 S HN 1.514 nan 8.310 nan 0.000 0.505 140 V N 1.997 121.862 119.914 -0.081 0.000 3.483 140 V HA 0.521 4.659 4.120 0.031 0.000 0.301 140 V C 1.098 177.123 176.094 -0.116 0.000 1.389 140 V CA 0.210 62.454 62.300 -0.092 0.000 1.101 140 V CB -0.680 31.087 31.823 -0.094 0.000 0.971 140 V HN 1.397 nan 8.190 nan 0.000 0.434 141 G N -0.117 108.618 108.800 -0.108 0.000 2.298 141 G HA2 0.120 4.098 3.960 0.031 0.000 0.287 141 G HA3 0.120 4.098 3.960 0.031 0.000 0.287 141 G C 0.219 175.040 174.900 -0.132 0.000 1.075 141 G CA 0.487 45.524 45.100 -0.106 0.000 0.960 141 G HN 1.579 nan 8.290 nan 0.000 0.502 142 A N -0.925 121.843 122.820 -0.085 0.000 3.785 142 A HA 1.047 5.386 4.320 0.031 0.000 0.171 142 A C 2.283 179.896 177.584 0.048 0.000 0.708 142 A CA 1.408 53.455 52.037 0.015 0.000 0.959 142 A CB -0.956 17.983 19.000 -0.101 0.000 1.828 142 A HN 1.988 nan 8.150 nan 0.000 0.804 143 S N -1.366 114.193 115.700 -0.235 0.000 2.498 143 S HA 0.124 4.612 4.470 0.031 0.000 0.327 143 S C 2.479 176.971 174.600 -0.180 0.000 1.055 143 S CA 2.615 60.473 58.200 -0.571 0.000 1.107 143 S CB -1.493 61.118 63.200 -0.981 0.000 0.593 143 S HN 2.752 nan 8.310 nan 0.000 0.517 144 G N -0.035 108.795 108.800 0.049 0.000 2.498 144 G HA2 -0.179 3.800 3.960 0.031 0.000 0.251 144 G HA3 -0.179 3.800 3.960 0.031 0.000 0.251 144 G C -0.464 174.426 174.900 -0.017 0.000 1.170 144 G CA 0.188 45.334 45.100 0.077 0.000 0.944 144 G HN 0.608 nan 8.290 nan 0.000 0.567 145 D N 1.867 122.258 120.400 -0.016 0.000 3.139 145 D HA 0.394 5.053 4.640 0.031 0.000 0.268 145 D C 2.091 178.386 176.300 -0.010 0.000 1.322 145 D CA -0.161 53.814 54.000 -0.041 0.000 0.940 145 D CB 0.149 40.906 40.800 -0.072 0.000 1.050 145 D HN 0.384 nan 8.370 nan 0.000 0.503 146 L N 0.578 121.795 121.223 -0.010 0.000 1.990 146 L HA -0.242 4.117 4.340 0.031 0.000 0.213 146 L C 2.508 179.417 176.870 0.066 0.000 1.072 146 L CA 1.612 56.472 54.840 0.033 0.000 0.755 146 L CB -0.378 41.697 42.059 0.027 0.000 0.889 146 L HN 0.182 nan 8.230 nan 0.000 0.432 147 A N 0.242 123.096 122.820 0.055 0.000 1.855 147 A HA -0.082 4.257 4.320 0.031 0.000 0.215 147 A C 0.019 177.741 177.584 0.230 0.000 1.191 147 A CA 1.620 53.738 52.037 0.135 0.000 0.613 147 A CB -1.850 17.220 19.000 0.115 0.000 0.829 147 A HN 0.309 nan 8.150 nan 0.000 0.442 148 P HA -0.116 nan 4.420 nan 0.000 0.217 148 P C 1.495 178.878 177.300 0.138 0.000 1.150 148 P CA 0.942 64.119 63.100 0.127 0.000 0.832 148 P CB -0.200 31.526 31.700 0.044 0.000 0.787 149 L N -0.818 120.459 121.223 0.089 0.000 2.201 149 L HA -0.074 4.285 4.340 0.031 0.000 0.212 149 L C 2.742 179.658 176.870 0.077 0.000 1.105 149 L CA 1.228 56.113 54.840 0.074 0.000 0.775 149 L CB -1.058 41.028 42.059 0.044 0.000 0.913 149 L HN -0.058 nan 8.230 nan 0.000 0.440 150 A N -0.767 122.100 122.820 0.078 0.000 1.898 150 A HA -0.216 4.123 4.320 0.031 0.000 0.216 150 A C 2.147 179.741 177.584 0.016 0.000 1.181 150 A CA 1.256 53.309 52.037 0.027 0.000 0.620 150 A CB -0.751 18.260 19.000 0.017 0.000 0.819 150 A HN 0.394 nan 8.150 nan 0.000 0.442 151 H N -1.159 117.947 119.070 0.060 0.000 2.319 151 H HA -0.157 4.418 4.556 0.031 0.000 0.299 151 H C 2.163 177.543 175.328 0.086 0.000 1.092 151 H CA 1.941 58.038 56.048 0.081 0.000 1.302 151 H CB -0.315 29.499 29.762 0.086 0.000 1.373 151 H HN 0.567 nan 8.280 nan 0.000 0.497 152 M N 0.431 120.150 119.600 0.197 0.000 2.080 152 M HA -0.171 4.327 4.480 0.031 0.000 0.260 152 M C 2.165 178.529 176.300 0.107 0.000 1.068 152 M CA 1.679 57.068 55.300 0.149 0.000 1.109 152 M CB 0.074 32.748 32.600 0.123 0.000 1.342 152 M HN 0.025 nan 8.290 nan 0.000 0.405 153 S N 1.034 116.779 115.700 0.074 0.000 2.423 153 S HA -0.036 4.452 4.470 0.031 0.000 0.231 153 S C 1.715 176.333 174.600 0.029 0.000 1.014 153 S CA 0.810 59.034 58.200 0.041 0.000 0.965 153 S CB -0.428 62.782 63.200 0.017 0.000 0.785 153 S HN 0.493 nan 8.310 nan 0.000 0.495 154 L N 1.011 122.251 121.223 0.029 0.000 2.051 154 L HA -0.170 4.189 4.340 0.031 0.000 0.214 154 L C 2.267 179.157 176.870 0.033 0.000 1.076 154 L CA 1.093 55.943 54.840 0.017 0.000 0.758 154 L CB -0.796 41.272 42.059 0.016 0.000 0.890 154 L HN 0.225 nan 8.230 nan 0.000 0.433 155 V N -0.129 119.821 119.914 0.060 0.000 2.515 155 V HA -0.262 3.877 4.120 0.031 0.000 0.250 155 V C 2.358 178.473 176.094 0.034 0.000 1.058 155 V CA 1.413 63.748 62.300 0.059 0.000 1.064 155 V CB -0.358 31.518 31.823 0.088 0.000 0.675 155 V HN 0.365 nan 8.190 nan 0.000 0.461 156 L N -0.602 120.639 121.223 0.029 0.000 2.127 156 L HA -0.171 4.187 4.340 0.031 0.000 0.211 156 L C 2.081 178.955 176.870 0.007 0.000 1.089 156 L CA 1.446 56.295 54.840 0.015 0.000 0.757 156 L CB -0.426 41.641 42.059 0.013 0.000 0.899 156 L HN 0.322 nan 8.230 nan 0.000 0.434 157 L N -0.524 120.702 121.223 0.006 0.000 2.591 157 L HA 0.170 4.528 4.340 0.031 0.000 0.228 157 L C 1.325 178.196 176.870 0.002 0.000 1.133 157 L CA 0.437 55.277 54.840 0.000 0.000 0.880 157 L CB -0.435 41.621 42.059 -0.005 0.000 1.033 157 L HN 0.471 nan 8.230 nan 0.000 0.450 158 G N 0.270 109.075 108.800 0.008 0.000 2.160 158 G HA2 -0.195 3.784 3.960 0.031 0.000 0.244 158 G HA3 -0.195 3.784 3.960 0.031 0.000 0.244 158 G C 0.027 174.933 174.900 0.010 0.000 1.022 158 G CA -0.050 45.055 45.100 0.009 0.000 0.741 158 G HN 0.339 nan 8.290 nan 0.000 0.508 159 E N -0.670 119.537 120.200 0.013 0.000 2.316 159 E HA 0.719 5.088 4.350 0.031 0.000 0.258 159 E C 0.979 177.593 176.600 0.025 0.000 0.952 159 E CA 0.224 56.629 56.400 0.009 0.000 0.818 159 E CB 1.216 30.913 29.700 -0.005 0.000 1.260 159 E HN 1.466 nan 8.360 nan 0.000 0.416 160 G N 1.091 109.901 108.800 0.016 0.000 2.562 160 G HA2 -0.254 3.725 3.960 0.031 0.000 0.250 160 G HA3 -0.254 3.725 3.960 0.031 0.000 0.250 160 G C -0.558 174.365 174.900 0.038 0.000 1.269 160 G CA 0.555 45.678 45.100 0.037 0.000 0.919 160 G HN 0.722 nan 8.290 nan 0.000 0.574 161 K N -1.439 119.010 120.400 0.081 0.000 2.548 161 K HA 0.860 5.198 4.320 0.031 0.000 0.282 161 K C -0.655 176.123 176.600 0.297 0.000 1.006 161 K CA -0.443 55.922 56.287 0.129 0.000 0.892 161 K CB 1.686 34.184 32.500 -0.002 0.000 1.499 161 K HN 2.274 nan 8.250 nan 0.000 0.433 162 A N 0.955 124.027 122.820 0.420 0.000 2.572 162 A HA 0.662 5.000 4.320 0.031 0.000 0.295 162 A C -1.579 176.299 177.584 0.490 0.000 1.072 162 A CA -0.886 51.437 52.037 0.477 0.000 0.691 162 A CB 1.937 21.088 19.000 0.252 0.000 1.291 162 A HN 0.736 nan 8.150 nan 0.000 0.404 163 R N 0.404 121.079 120.500 0.291 0.000 2.312 163 R HA 0.583 4.941 4.340 0.031 0.000 0.311 163 R C -1.808 174.559 176.300 0.111 0.000 1.004 163 R CA -0.216 55.836 56.100 -0.080 0.000 0.902 163 R CB 0.806 30.800 30.300 -0.510 0.000 1.073 163 R HN 0.757 nan 8.270 nan 0.000 0.457 164 Y N 3.356 123.610 120.300 -0.078 0.000 2.386 164 Y HA 0.207 4.776 4.550 0.031 0.000 0.334 164 Y C -0.790 175.075 175.900 -0.058 0.000 1.002 164 Y CA -1.191 56.874 58.100 -0.057 0.000 1.068 164 Y CB 1.345 39.776 38.460 -0.048 0.000 1.203 164 Y HN 0.781 nan 8.280 nan 0.000 0.443 165 K N 4.623 124.684 120.400 -0.565 0.000 3.071 165 K HA -0.235 4.104 4.320 0.031 0.000 0.262 165 K C 0.893 177.342 176.600 -0.251 0.000 0.977 165 K CA 1.110 57.126 56.287 -0.452 0.000 0.721 165 K CB -1.649 30.490 32.500 -0.601 0.000 1.293 165 K HN 1.434 nan 8.250 nan 0.000 0.475 166 G N -0.765 107.908 108.800 -0.211 0.000 2.184 166 G HA2 -0.306 3.673 3.960 0.031 0.000 0.264 166 G HA3 -0.306 3.673 3.960 0.031 0.000 0.264 166 G C -0.188 174.546 174.900 -0.276 0.000 0.975 166 G CA 0.508 45.474 45.100 -0.224 0.000 0.642 166 G HN 0.313 nan 8.290 nan 0.000 0.536 167 Q N -1.056 118.603 119.800 -0.235 0.000 2.342 167 Q HA 0.504 4.862 4.340 0.031 0.000 0.267 167 Q C -0.416 175.490 176.000 -0.157 0.000 1.038 167 Q CA -0.817 54.880 55.803 -0.176 0.000 0.832 167 Q CB 1.171 29.887 28.738 -0.037 0.000 1.323 167 Q HN 0.400 nan 8.270 nan 0.000 0.448 168 W N 2.715 124.061 121.300 0.076 0.000 2.266 168 W HA 0.346 5.024 4.660 0.030 0.000 0.317 168 W C 0.081 176.644 176.519 0.073 0.000 1.310 168 W CA -0.209 57.184 57.345 0.080 0.000 1.207 168 W CB 0.497 29.991 29.460 0.058 0.000 1.199 168 W HN 0.282 nan 8.180 nan 0.000 0.544 169 L N 3.373 124.807 121.223 0.351 0.000 2.333 169 L HA 0.435 4.793 4.340 0.031 0.000 0.269 169 L C 0.686 177.666 176.870 0.184 0.000 1.010 169 L CA -1.167 53.801 54.840 0.213 0.000 0.818 169 L CB 1.753 43.906 42.059 0.155 0.000 1.306 169 L HN 0.482 nan 8.230 nan 0.000 0.430 170 S N 0.698 116.466 115.700 0.112 0.000 2.576 170 S HA 0.163 4.652 4.470 0.031 0.000 0.272 170 S C 1.078 175.721 174.600 0.071 0.000 1.352 170 S CA 0.024 58.269 58.200 0.075 0.000 1.021 170 S CB 1.368 64.595 63.200 0.045 0.000 0.887 170 S HN 0.730 nan 8.310 nan 0.000 0.542 171 A N 1.893 124.747 122.820 0.057 0.000 1.933 171 A HA -0.041 4.298 4.320 0.031 0.000 0.218 171 A C 2.435 180.035 177.584 0.027 0.000 1.175 171 A CA 1.965 54.033 52.037 0.051 0.000 0.628 171 A CB -1.921 17.104 19.000 0.043 0.000 0.814 171 A HN 1.156 nan 8.150 nan 0.000 0.444 172 T N -1.592 112.973 114.554 0.018 0.000 2.821 172 T HA -0.132 4.237 4.350 0.031 0.000 0.267 172 T C 1.568 176.266 174.700 -0.003 0.000 1.046 172 T CA 1.417 63.520 62.100 0.005 0.000 1.139 172 T CB -0.448 68.423 68.868 0.004 0.000 0.871 172 T HN 0.649 nan 8.240 nan 0.000 0.454 173 E N 1.839 122.042 120.200 0.005 0.000 2.110 173 E HA 0.016 4.384 4.350 0.031 0.000 0.193 173 E C 2.650 179.226 176.600 -0.040 0.000 0.988 173 E CA 0.984 57.379 56.400 -0.008 0.000 0.804 173 E CB -0.383 29.328 29.700 0.017 0.000 0.745 173 E HN 0.678 nan 8.360 nan 0.000 0.458 174 A N 1.388 124.197 122.820 -0.019 0.000 1.898 174 A HA -0.140 4.199 4.320 0.031 0.000 0.216 174 A C 2.225 179.757 177.584 -0.087 0.000 1.181 174 A CA 0.977 52.982 52.037 -0.053 0.000 0.620 174 A CB -0.639 18.375 19.000 0.024 0.000 0.819 174 A HN 0.119 nan 8.150 nan 0.000 0.442 175 L N -0.732 120.463 121.223 -0.047 0.000 2.042 175 L HA -0.225 4.133 4.340 0.031 0.000 0.210 175 L C 3.097 179.924 176.870 -0.071 0.000 1.076 175 L CA 1.144 55.954 54.840 -0.050 0.000 0.749 175 L CB -0.523 41.521 42.059 -0.025 0.000 0.893 175 L HN 0.450 nan 8.230 nan 0.000 0.432 176 A N -0.479 122.300 122.820 -0.069 0.000 1.933 176 A HA -0.140 4.199 4.320 0.031 0.000 0.218 176 A C 2.328 179.845 177.584 -0.111 0.000 1.175 176 A CA 1.575 53.569 52.037 -0.071 0.000 0.628 176 A CB -0.789 18.179 19.000 -0.052 0.000 0.814 176 A HN 0.194 nan 8.150 nan 0.000 0.444 177 V N -0.285 119.523 119.914 -0.176 0.000 2.392 177 V HA -0.264 3.874 4.120 0.031 0.000 0.249 177 V C 2.755 178.711 176.094 -0.231 0.000 1.059 177 V CA 1.982 64.111 62.300 -0.284 0.000 1.051 177 V CB -0.954 30.527 31.823 -0.571 0.000 0.658 177 V HN 0.605 nan 8.190 nan 0.000 0.455 178 A N -0.981 121.730 122.820 -0.182 0.000 2.251 178 A HA 0.435 4.773 4.320 0.031 0.000 0.209 178 A C 1.833 179.367 177.584 -0.083 0.000 1.187 178 A CA 0.903 52.862 52.037 -0.130 0.000 0.823 178 A CB -0.389 18.544 19.000 -0.112 0.000 0.846 178 A HN 1.244 nan 8.150 nan 0.000 0.486 179 G N -1.323 107.431 108.800 -0.078 0.000 2.132 179 G HA2 -0.194 3.785 3.960 0.031 0.000 0.234 179 G HA3 -0.194 3.785 3.960 0.031 0.000 0.234 179 G C -0.065 174.811 174.900 -0.040 0.000 0.989 179 G CA 0.406 45.475 45.100 -0.052 0.000 0.676 179 G HN 0.464 nan 8.290 nan 0.000 0.522 180 L N 0.133 121.330 121.223 -0.043 0.000 2.319 180 L HA 0.795 5.154 4.340 0.031 0.000 0.267 180 L C 0.498 177.352 176.870 -0.026 0.000 1.011 180 L CA -1.142 53.679 54.840 -0.031 0.000 0.818 180 L CB 1.660 43.702 42.059 -0.029 0.000 1.316 180 L HN 0.441 nan 8.230 nan 0.000 0.432 181 E N 0.642 120.831 120.200 -0.018 0.000 2.339 181 E HA 0.567 4.936 4.350 0.031 0.000 0.262 181 E C -2.770 173.823 176.600 -0.010 0.000 0.934 181 E CA -2.370 54.022 56.400 -0.014 0.000 0.802 181 E CB 1.535 31.228 29.700 -0.012 0.000 1.275 181 E HN 0.183 nan 8.360 nan 0.000 0.427 182 P HA 0.024 nan 4.420 nan 0.000 0.265 182 P C -0.706 176.591 177.300 -0.005 0.000 1.187 182 P CA 0.346 63.444 63.100 -0.005 0.000 0.766 182 P CB 0.338 32.036 31.700 -0.003 0.000 0.820 183 L N 1.499 122.719 121.223 -0.004 0.000 2.352 183 L HA 0.514 4.873 4.340 0.031 0.000 0.269 183 L C 0.497 177.364 176.870 -0.006 0.000 1.034 183 L CA -0.610 54.227 54.840 -0.006 0.000 0.806 183 L CB 1.199 43.255 42.059 -0.005 0.000 1.244 183 L HN 0.203 nan 8.230 nan 0.000 0.447 184 T N 2.555 117.105 114.554 -0.007 0.000 2.771 184 T HA 0.526 4.895 4.350 0.031 0.000 0.281 184 T C 0.054 174.747 174.700 -0.011 0.000 0.982 184 T CA -0.440 61.655 62.100 -0.008 0.000 0.978 184 T CB 1.022 69.887 68.868 -0.006 0.000 0.930 184 T HN 0.267 nan 8.240 nan 0.000 0.447 185 L N 2.402 123.617 121.223 -0.014 0.000 2.439 185 L HA 0.704 5.063 4.340 0.031 0.000 0.261 185 L C 0.748 177.606 176.870 -0.020 0.000 1.153 185 L CA -0.715 54.115 54.840 -0.017 0.000 0.808 185 L CB 0.641 42.687 42.059 -0.021 0.000 1.126 185 L HN 0.665 nan 8.230 nan 0.000 0.460 186 A N 1.373 124.179 122.820 -0.024 0.000 2.284 186 A HA 0.814 5.152 4.320 0.031 0.000 0.317 186 A C -0.150 177.412 177.584 -0.036 0.000 1.120 186 A CA -0.418 51.602 52.037 -0.029 0.000 0.900 186 A CB 0.808 19.791 19.000 -0.028 0.000 1.319 186 A HN 0.764 nan 8.150 nan 0.000 0.494 187 A N -0.418 122.375 122.820 -0.045 0.000 2.587 187 A HA 0.375 4.714 4.320 0.031 0.000 0.235 187 A C 1.122 178.678 177.584 -0.047 0.000 1.044 187 A CA 1.416 53.420 52.037 -0.054 0.000 0.754 187 A CB -0.384 18.578 19.000 -0.062 0.000 0.968 187 A HN 1.975 nan 8.150 nan 0.000 0.509 188 K N 0.503 120.873 120.400 -0.050 0.000 3.606 188 K HA -0.230 4.109 4.320 0.031 0.000 0.279 188 K C 0.827 177.411 176.600 -0.027 0.000 1.137 188 K CA 2.652 58.914 56.287 -0.041 0.000 1.058 188 K CB -1.941 30.534 32.500 -0.043 0.000 1.343 188 K HN 0.844 nan 8.250 nan 0.000 0.462 189 E N -0.915 119.269 120.200 -0.027 0.000 2.107 189 E HA -0.006 4.363 4.350 0.031 0.000 0.191 189 E C 1.929 178.513 176.600 -0.027 0.000 0.982 189 E CA 0.898 57.284 56.400 -0.022 0.000 0.809 189 E CB -0.264 29.424 29.700 -0.021 0.000 0.756 189 E HN 0.559 nan 8.360 nan 0.000 0.459 190 G N 1.647 110.426 108.800 -0.037 0.000 2.446 190 G HA2 -0.250 3.729 3.960 0.031 0.000 0.217 190 G HA3 -0.250 3.729 3.960 0.031 0.000 0.217 190 G C 1.597 176.454 174.900 -0.071 0.000 1.168 190 G CA 0.520 45.582 45.100 -0.063 0.000 0.771 190 G HN 0.087 nan 8.290 nan 0.000 0.551 191 L N 0.567 121.762 121.223 -0.047 0.000 2.093 191 L HA -0.005 4.354 4.340 0.031 0.000 0.208 191 L C 3.396 180.259 176.870 -0.011 0.000 1.085 191 L CA 0.849 55.666 54.840 -0.038 0.000 0.755 191 L CB -0.365 41.693 42.059 -0.002 0.000 0.904 191 L HN 0.315 nan 8.230 nan 0.000 0.435 192 A N 0.091 122.909 122.820 -0.003 0.000 1.933 192 A HA -0.149 4.190 4.320 0.031 0.000 0.218 192 A C 2.235 179.828 177.584 0.015 0.000 1.175 192 A CA 1.383 53.428 52.037 0.013 0.000 0.628 192 A CB -0.535 18.470 19.000 0.008 0.000 0.814 192 A HN 0.357 nan 8.150 nan 0.000 0.444 193 L N -1.446 119.777 121.223 0.000 0.000 2.095 193 L HA -0.087 4.271 4.340 0.031 0.000 0.204 193 L C 2.255 179.129 176.870 0.007 0.000 1.080 193 L CA 0.573 55.416 54.840 0.006 0.000 0.759 193 L CB -0.295 41.763 42.059 -0.002 0.000 0.914 193 L HN 0.275 nan 8.230 nan 0.000 0.439 194 L N -1.013 120.201 121.223 -0.015 0.000 2.249 194 L HA 0.044 4.403 4.340 0.031 0.000 0.207 194 L C 0.867 177.738 176.870 0.002 0.000 1.090 194 L CA 0.915 55.747 54.840 -0.012 0.000 0.802 194 L CB -0.672 41.350 42.059 -0.062 0.000 0.947 194 L HN 0.184 nan 8.230 nan 0.000 0.453 195 N N -0.183 118.518 118.700 0.002 0.000 2.530 195 N HA 0.463 5.222 4.740 0.031 0.000 0.273 195 N C 0.120 175.678 175.510 0.080 0.000 1.173 195 N CA 0.541 53.609 53.050 0.031 0.000 0.967 195 N CB 0.800 39.322 38.487 0.059 0.000 1.109 195 N HN 0.228 nan 8.380 nan 0.000 0.453 196 G N -0.570 108.298 108.800 0.113 0.000 2.361 196 G HA2 -0.018 3.961 3.960 0.031 0.000 0.305 196 G HA3 -0.018 3.961 3.960 0.031 0.000 0.305 196 G C -0.168 174.777 174.900 0.075 0.000 1.367 196 G CA -0.412 44.751 45.100 0.104 0.000 0.951 196 G HN 0.460 nan 8.290 nan 0.000 0.615 197 T N -2.640 111.944 114.554 0.051 0.000 3.174 197 T HA 0.288 4.656 4.350 0.031 0.000 0.269 197 T C 1.478 176.169 174.700 -0.015 0.000 1.017 197 T CA 0.556 62.665 62.100 0.015 0.000 0.899 197 T CB 0.685 69.567 68.868 0.023 0.000 1.077 197 T HN 0.357 nan 8.240 nan 0.000 0.552 198 Q N 1.445 121.243 119.800 -0.004 0.000 2.167 198 Q HA 0.291 4.649 4.340 0.031 0.000 0.202 198 Q C 2.543 178.521 176.000 -0.038 0.000 0.970 198 Q CA 1.650 57.452 55.803 -0.002 0.000 0.855 198 Q CB -0.530 28.224 28.738 0.026 0.000 0.911 198 Q HN 0.721 nan 8.270 nan 0.000 0.438 199 A N -0.167 122.591 122.820 -0.103 0.000 1.873 199 A HA -0.159 4.180 4.320 0.031 0.000 0.215 199 A C 2.258 179.565 177.584 -0.463 0.000 1.186 199 A CA 1.593 53.477 52.037 -0.255 0.000 0.616 199 A CB -0.717 18.095 19.000 -0.314 0.000 0.823 199 A HN 0.291 nan 8.150 nan 0.000 0.442 200 S N -0.291 115.200 115.700 -0.348 0.000 2.365 200 S HA -0.160 4.328 4.470 0.031 0.000 0.225 200 S C 2.065 176.600 174.600 -0.109 0.000 1.039 200 S CA 2.000 60.042 58.200 -0.263 0.000 1.033 200 S CB -0.577 62.537 63.200 -0.144 0.000 0.887 200 S HN 0.709 nan 8.310 nan 0.000 0.447 201 T N 2.097 116.612 114.554 -0.065 0.000 2.777 201 T HA 0.010 4.379 4.350 0.031 0.000 0.266 201 T C 2.136 176.840 174.700 0.007 0.000 1.040 201 T CA 1.147 63.233 62.100 -0.023 0.000 1.141 201 T CB -0.477 68.383 68.868 -0.013 0.000 0.868 201 T HN 0.456 nan 8.240 nan 0.000 0.444 202 A N 0.750 123.600 122.820 0.050 0.000 1.902 202 A HA -0.099 4.239 4.320 0.031 0.000 0.217 202 A C 2.058 179.799 177.584 0.261 0.000 1.181 202 A CA 1.343 53.459 52.037 0.132 0.000 0.623 202 A CB -0.965 18.149 19.000 0.189 0.000 0.818 202 A HN 0.477 nan 8.150 nan 0.000 0.443 203 Y N -0.184 120.197 120.300 0.135 0.000 2.181 203 Y HA -0.106 4.461 4.550 0.028 0.000 0.288 203 Y C 2.959 178.985 175.900 0.211 0.000 1.146 203 Y CA 0.379 58.674 58.100 0.324 0.000 1.164 203 Y CB -1.205 37.377 38.460 0.203 0.000 0.982 203 Y HN 0.344 nan 8.280 nan 0.000 0.515 204 A N -0.289 122.644 122.820 0.189 0.000 1.929 204 A HA -0.080 4.258 4.320 0.031 0.000 0.216 204 A C 2.384 179.883 177.584 -0.142 0.000 1.176 204 A CA 1.042 53.095 52.037 0.027 0.000 0.628 204 A CB -1.033 17.958 19.000 -0.014 0.000 0.816 204 A HN 0.425 nan 8.150 nan 0.000 0.444 205 L N -0.793 120.283 121.223 -0.246 0.000 2.046 205 L HA -0.209 4.150 4.340 0.031 0.000 0.208 205 L C 2.782 179.040 176.870 -1.020 0.000 1.077 205 L CA 1.837 56.277 54.840 -0.668 0.000 0.747 205 L CB -0.426 41.309 42.059 -0.540 0.000 0.896 205 L HN 0.512 nan 8.230 nan 0.000 0.432 206 R N 0.262 120.407 120.500 -0.592 0.000 2.091 206 R HA -0.163 4.195 4.340 0.031 0.000 0.238 206 R C 2.234 178.122 176.300 -0.688 0.000 1.136 206 R CA 1.663 57.308 56.100 -0.758 0.000 0.959 206 R CB -0.617 29.345 30.300 -0.564 0.000 0.856 206 R HN 0.362 nan 8.270 nan 0.000 0.437 207 G N 1.466 110.151 108.800 -0.193 0.000 2.440 207 G HA2 -0.300 3.679 3.960 0.031 0.000 0.218 207 G HA3 -0.300 3.679 3.960 0.031 0.000 0.218 207 G C 1.324 176.174 174.900 -0.083 0.000 1.154 207 G CA 0.884 45.987 45.100 0.004 0.000 0.767 207 G HN 0.353 nan 8.290 nan 0.000 0.552 208 L N -0.237 120.831 121.223 -0.259 0.000 2.012 208 L HA 0.046 4.404 4.340 0.031 0.000 0.210 208 L C 2.538 179.340 176.870 -0.112 0.000 1.073 208 L CA 1.720 56.423 54.840 -0.230 0.000 0.748 208 L CB -0.688 41.136 42.059 -0.392 0.000 0.891 208 L HN 0.164 nan 8.230 nan 0.000 0.431 209 F N -1.075 118.783 119.950 -0.154 0.000 2.134 209 F HA -0.195 4.353 4.527 0.034 0.000 0.299 209 F C 2.389 178.234 175.800 0.076 0.000 1.097 209 F CA 0.936 58.873 58.000 -0.106 0.000 1.264 209 F CB -1.533 37.306 39.000 -0.267 0.000 1.001 209 F HN 0.103 nan 8.300 nan 0.000 0.479 210 Y N 0.273 120.667 120.300 0.156 0.000 2.145 210 Y HA -0.139 4.428 4.550 0.028 0.000 0.286 210 Y C 2.607 178.571 175.900 0.107 0.000 1.145 210 Y CA 0.439 58.614 58.100 0.125 0.000 1.148 210 Y CB -1.612 36.919 38.460 0.120 0.000 0.981 210 Y HN 0.035 nan 8.280 nan 0.000 0.507 211 A N 0.127 123.101 122.820 0.255 0.000 1.908 211 A HA -0.226 4.112 4.320 0.031 0.000 0.218 211 A C 2.178 179.866 177.584 0.172 0.000 1.181 211 A CA 1.898 54.041 52.037 0.177 0.000 0.627 211 A CB -0.694 18.375 19.000 0.115 0.000 0.818 211 A HN 0.537 nan 8.150 nan 0.000 0.445 212 E N -0.218 120.076 120.200 0.157 0.000 2.051 212 E HA -0.187 4.182 4.350 0.031 0.000 0.192 212 E C 1.548 178.248 176.600 0.167 0.000 0.991 212 E CA 1.150 57.634 56.400 0.139 0.000 0.799 212 E CB -0.232 29.544 29.700 0.127 0.000 0.748 212 E HN 0.540 nan 8.360 nan 0.000 0.449 213 D N 0.805 121.306 120.400 0.168 0.000 2.123 213 D HA -0.161 4.498 4.640 0.031 0.000 0.196 213 D C 2.083 178.434 176.300 0.085 0.000 0.992 213 D CA 0.943 55.015 54.000 0.120 0.000 0.833 213 D CB -0.226 40.658 40.800 0.140 0.000 0.954 213 D HN 0.166 nan 8.370 nan 0.000 0.455 214 L N -0.445 120.845 121.223 0.111 0.000 2.093 214 L HA -0.161 4.198 4.340 0.031 0.000 0.208 214 L C 2.454 179.363 176.870 0.066 0.000 1.085 214 L CA 0.753 55.635 54.840 0.069 0.000 0.755 214 L CB -0.506 41.606 42.059 0.090 0.000 0.904 214 L HN 0.035 nan 8.230 nan 0.000 0.435 215 Y N 1.052 121.354 120.300 0.003 0.000 2.081 215 Y HA -0.359 4.208 4.550 0.029 0.000 0.280 215 Y C 2.526 178.383 175.900 -0.070 0.000 1.163 215 Y CA 1.629 59.717 58.100 -0.019 0.000 1.135 215 Y CB -0.326 38.130 38.460 -0.007 0.000 0.970 215 Y HN 0.106 nan 8.280 nan 0.000 0.498 216 A N 0.567 123.462 122.820 0.124 0.000 1.883 216 A HA -0.161 4.177 4.320 0.031 0.000 0.217 216 A C 2.431 179.909 177.584 -0.176 0.000 1.186 216 A CA 2.180 54.206 52.037 -0.018 0.000 0.624 216 A CB -1.621 17.396 19.000 0.029 0.000 0.822 216 A HN 0.662 nan 8.150 nan 0.000 0.444 217 A N -0.314 122.414 122.820 -0.154 0.000 1.933 217 A HA 0.165 4.503 4.320 0.031 0.000 0.218 217 A C 2.450 179.885 177.584 -0.249 0.000 1.175 217 A CA 2.038 53.933 52.037 -0.237 0.000 0.628 217 A CB -0.898 17.976 19.000 -0.209 0.000 0.814 217 A HN 1.088 nan 8.150 nan 0.000 0.444 218 A N -0.153 122.539 122.820 -0.214 0.000 1.969 218 A HA 0.012 4.351 4.320 0.031 0.000 0.218 218 A C 1.932 179.368 177.584 -0.246 0.000 1.169 218 A CA 1.374 53.300 52.037 -0.186 0.000 0.635 218 A CB -0.414 18.497 19.000 -0.149 0.000 0.810 218 A HN 0.410 nan 8.150 nan 0.000 0.445 219 I N 0.103 120.401 120.570 -0.452 0.000 2.179 219 I HA -0.227 3.961 4.170 0.031 0.000 0.242 219 I C 2.892 178.783 176.117 -0.377 0.000 1.088 219 I CA 1.484 62.388 61.300 -0.661 0.000 1.357 219 I CB -1.704 35.773 38.000 -0.872 0.000 1.051 219 I HN 0.351 nan 8.210 nan 0.000 0.409 220 A N 0.144 122.785 122.820 -0.299 0.000 1.873 220 A HA -0.195 4.143 4.320 0.031 0.000 0.215 220 A C 2.598 180.097 177.584 -0.142 0.000 1.186 220 A CA 1.750 53.658 52.037 -0.216 0.000 0.616 220 A CB -1.156 17.687 19.000 -0.262 0.000 0.823 220 A HN 0.499 nan 8.150 nan 0.000 0.442 221 C N -0.982 118.220 119.300 -0.163 0.000 2.429 221 C HA 0.020 4.498 4.460 0.031 0.000 0.277 221 C C 2.990 178.003 174.990 0.037 0.000 1.262 221 C CA 0.623 59.605 59.018 -0.060 0.000 1.733 221 C CB -1.591 26.114 27.740 -0.058 0.000 2.010 221 C HN 0.703 nan 8.230 nan 0.000 0.483 222 G N 0.296 109.141 108.800 0.074 0.000 2.408 222 G HA2 0.024 4.003 3.960 0.031 0.000 0.217 222 G HA3 0.024 4.003 3.960 0.031 0.000 0.217 222 G C 1.786 176.797 174.900 0.185 0.000 1.150 222 G CA 1.122 46.324 45.100 0.171 0.000 0.776 222 G HN 0.575 nan 8.290 nan 0.000 0.542 223 G N 0.938 109.853 108.800 0.191 0.000 2.418 223 G HA2 -0.146 3.833 3.960 0.031 0.000 0.217 223 G HA3 -0.146 3.833 3.960 0.031 0.000 0.217 223 G C 1.797 176.738 174.900 0.069 0.000 1.158 223 G CA 0.700 45.865 45.100 0.110 0.000 0.771 223 G HN 0.421 nan 8.290 nan 0.000 0.545 224 L N 0.705 121.968 121.223 0.067 0.000 2.046 224 L HA -0.103 4.255 4.340 0.031 0.000 0.208 224 L C 3.201 180.118 176.870 0.078 0.000 1.077 224 L CA 1.317 56.206 54.840 0.082 0.000 0.747 224 L CB -0.346 41.785 42.059 0.120 0.000 0.896 224 L HN 0.180 nan 8.230 nan 0.000 0.432 225 S N -0.723 115.025 115.700 0.079 0.000 2.368 225 S HA -0.135 4.354 4.470 0.031 0.000 0.224 225 S C 2.053 176.686 174.600 0.056 0.000 1.029 225 S CA 1.017 59.254 58.200 0.062 0.000 0.988 225 S CB -0.174 63.063 63.200 0.062 0.000 0.838 225 S HN 0.144 nan 8.310 nan 0.000 0.462 226 V N 2.396 122.353 119.914 0.071 0.000 2.252 226 V HA -0.209 3.930 4.120 0.031 0.000 0.249 226 V C 2.567 178.706 176.094 0.074 0.000 1.056 226 V CA 1.753 64.100 62.300 0.078 0.000 1.022 226 V CB -0.569 31.317 31.823 0.105 0.000 0.641 226 V HN 0.452 nan 8.190 nan 0.000 0.445 227 E N 0.043 120.289 120.200 0.077 0.000 2.077 227 E HA -0.178 4.191 4.350 0.031 0.000 0.193 227 E C 2.371 179.016 176.600 0.074 0.000 0.989 227 E CA 1.433 57.886 56.400 0.087 0.000 0.800 227 E CB -0.475 29.271 29.700 0.076 0.000 0.746 227 E HN 0.589 nan 8.360 nan 0.000 0.452 228 A N 1.352 124.204 122.820 0.053 0.000 1.940 228 A HA -0.144 4.195 4.320 0.031 0.000 0.219 228 A C 2.307 179.901 177.584 0.018 0.000 1.176 228 A CA 1.827 53.883 52.037 0.033 0.000 0.631 228 A CB -0.444 18.566 19.000 0.016 0.000 0.814 228 A HN 0.202 nan 8.150 nan 0.000 0.446 229 V N -3.737 116.184 119.914 0.012 0.000 3.342 229 V HA 0.443 4.581 4.120 0.031 0.000 0.322 229 V C 0.531 176.609 176.094 -0.027 0.000 1.370 229 V CA 0.200 62.493 62.300 -0.012 0.000 1.170 229 V CB -0.937 30.874 31.823 -0.020 0.000 1.101 229 V HN 0.480 nan 8.190 nan 0.000 0.442 230 L N -0.015 121.205 121.223 -0.006 0.000 3.730 230 L HA -0.141 4.217 4.340 0.031 0.000 0.410 230 L C 1.021 177.792 176.870 -0.164 0.000 1.234 230 L CA 0.243 55.026 54.840 -0.094 0.000 0.911 230 L CB -2.099 39.849 42.059 -0.186 0.000 1.942 230 L HN 0.616 nan 8.230 nan 0.000 0.860 231 G N -0.225 108.556 108.800 -0.031 0.000 2.599 231 G HA2 0.401 4.379 3.960 0.031 0.000 0.264 231 G HA3 0.401 4.379 3.960 0.031 0.000 0.264 231 G C 0.172 175.096 174.900 0.040 0.000 1.200 231 G CA 0.510 45.606 45.100 -0.006 0.000 0.896 231 G HN 0.164 nan 8.290 nan 0.000 0.536 232 S N -1.421 114.308 115.700 0.048 0.000 2.616 232 S HA 0.291 4.780 4.470 0.031 0.000 0.277 232 S C 1.361 176.071 174.600 0.184 0.000 1.234 232 S CA -0.637 57.615 58.200 0.086 0.000 1.028 232 S CB 1.125 64.339 63.200 0.024 0.000 0.988 232 S HN 0.526 nan 8.310 nan 0.000 0.522 233 R N 1.635 122.263 120.500 0.213 0.000 2.276 233 R HA 0.110 4.468 4.340 0.031 0.000 0.196 233 R C 2.144 178.591 176.300 0.246 0.000 0.961 233 R CA 0.562 56.866 56.100 0.340 0.000 1.024 233 R CB -0.130 30.310 30.300 0.234 0.000 0.940 233 R HN 0.551 nan 8.270 nan 0.000 0.480 234 S N 1.349 117.104 115.700 0.093 0.000 2.400 234 S HA -0.072 4.416 4.470 0.031 0.000 0.232 234 S C -1.025 173.531 174.600 -0.073 0.000 1.025 234 S CA 1.161 59.375 58.200 0.024 0.000 0.993 234 S CB -0.724 62.475 63.200 -0.002 0.000 0.808 234 S HN 0.219 nan 8.310 nan 0.000 0.478 235 P HA -0.034 nan 4.420 nan 0.000 0.223 235 P C 0.535 177.582 177.300 -0.422 0.000 1.144 235 P CA 0.895 63.728 63.100 -0.444 0.000 0.783 235 P CB -0.121 31.136 31.700 -0.739 0.000 0.771 236 F N -1.753 118.266 119.950 0.115 0.000 2.765 236 F HA 0.097 4.642 4.527 0.030 0.000 0.302 236 F C 1.119 177.065 175.800 0.243 0.000 1.111 236 F CA -0.502 57.605 58.000 0.179 0.000 1.359 236 F CB -0.701 38.342 39.000 0.071 0.000 1.097 236 F HN -0.126 nan 8.300 nan 0.000 0.577 237 D N 1.281 121.818 120.400 0.228 0.000 2.533 237 D HA -0.019 4.639 4.640 0.031 0.000 0.236 237 D C 1.440 177.846 176.300 0.177 0.000 1.137 237 D CA 0.510 54.601 54.000 0.150 0.000 0.867 237 D CB 1.391 42.214 40.800 0.039 0.000 1.170 237 D HN 0.256 nan 8.370 nan 0.000 0.474 238 A N 5.577 128.504 122.820 0.179 0.000 1.978 238 A HA -0.217 4.121 4.320 0.031 0.000 0.220 238 A C 2.161 179.792 177.584 0.078 0.000 1.170 238 A CA 1.232 53.380 52.037 0.185 0.000 0.636 238 A CB -0.138 18.937 19.000 0.126 0.000 0.810 238 A HN 0.721 nan 8.150 nan 0.000 0.448 239 R N -0.635 119.871 120.500 0.010 0.000 2.115 239 R HA -0.001 4.358 4.340 0.031 0.000 0.230 239 R C 1.873 178.103 176.300 -0.116 0.000 1.111 239 R CA 1.381 57.462 56.100 -0.033 0.000 0.976 239 R CB -0.449 29.833 30.300 -0.030 0.000 0.870 239 R HN 0.586 nan 8.270 nan 0.000 0.445 240 I N 0.058 120.478 120.570 -0.251 0.000 2.226 240 I HA -0.296 3.893 4.170 0.031 0.000 0.245 240 I C 2.096 177.930 176.117 -0.472 0.000 1.100 240 I CA 1.286 62.331 61.300 -0.425 0.000 1.374 240 I CB -0.331 37.276 38.000 -0.655 0.000 1.057 240 I HN 0.257 nan 8.210 nan 0.000 0.413 241 H N 0.304 119.377 119.070 0.006 0.000 2.403 241 H HA -0.014 4.560 4.556 0.031 0.000 0.298 241 H C 2.086 177.425 175.328 0.019 0.000 1.059 241 H CA 0.793 56.852 56.048 0.019 0.000 1.363 241 H CB -0.184 29.607 29.762 0.047 0.000 1.410 241 H HN 0.308 nan 8.280 nan 0.000 0.528 242 E N 1.121 121.361 120.200 0.067 0.000 2.085 242 E HA -0.093 4.276 4.350 0.031 0.000 0.194 242 E C 2.362 178.969 176.600 0.012 0.000 0.994 242 E CA 0.917 57.343 56.400 0.043 0.000 0.801 242 E CB -0.201 29.519 29.700 0.032 0.000 0.743 242 E HN 0.408 nan 8.360 nan 0.000 0.453 243 A N 1.153 123.959 122.820 -0.024 0.000 1.969 243 A HA -0.165 4.173 4.320 0.031 0.000 0.218 243 A C 2.184 179.756 177.584 -0.021 0.000 1.169 243 A CA 1.421 53.439 52.037 -0.030 0.000 0.635 243 A CB -0.374 18.593 19.000 -0.055 0.000 0.810 243 A HN 0.091 nan 8.150 nan 0.000 0.445 244 R N -1.329 119.162 120.500 -0.015 0.000 2.075 244 R HA 0.078 4.437 4.340 0.031 0.000 0.226 244 R C 1.537 177.849 176.300 0.019 0.000 1.114 244 R CA 1.292 57.394 56.100 0.004 0.000 0.972 244 R CB -0.231 30.082 30.300 0.022 0.000 0.869 244 R HN 0.729 nan 8.270 nan 0.000 0.437 245 G N -0.035 108.786 108.800 0.035 0.000 2.175 245 G HA2 -0.213 3.766 3.960 0.031 0.000 0.244 245 G HA3 -0.213 3.766 3.960 0.031 0.000 0.244 245 G C -0.331 174.592 174.900 0.039 0.000 0.982 245 G CA -0.016 45.104 45.100 0.034 0.000 0.641 245 G HN 0.330 nan 8.290 nan 0.000 0.527 246 Q N 0.065 119.894 119.800 0.049 0.000 2.286 246 Q HA 0.382 4.741 4.340 0.031 0.000 0.267 246 Q C 1.427 177.459 176.000 0.053 0.000 1.028 246 Q CA -0.139 55.692 55.803 0.047 0.000 0.901 246 Q CB 1.434 30.203 28.738 0.051 0.000 1.183 246 Q HN 0.398 nan 8.270 nan 0.000 0.392 247 R N 3.198 123.721 120.500 0.038 0.000 2.081 247 R HA -0.113 4.246 4.340 0.031 0.000 0.235 247 R C 1.932 178.254 176.300 0.036 0.000 1.131 247 R CA 2.027 58.148 56.100 0.035 0.000 0.960 247 R CB -0.800 29.512 30.300 0.020 0.000 0.856 247 R HN 0.810 nan 8.270 nan 0.000 0.436 248 G N -0.084 108.735 108.800 0.033 0.000 2.440 248 G HA2 -0.353 3.625 3.960 0.031 0.000 0.218 248 G HA3 -0.353 3.625 3.960 0.031 0.000 0.218 248 G C 1.360 176.301 174.900 0.068 0.000 1.154 248 G CA 0.793 45.914 45.100 0.035 0.000 0.767 248 G HN 0.521 nan 8.290 nan 0.000 0.552 249 Q N -0.159 119.683 119.800 0.071 0.000 2.079 249 Q HA -0.040 4.318 4.340 0.031 0.000 0.200 249 Q C 2.549 178.566 176.000 0.028 0.000 0.974 249 Q CA 1.027 56.869 55.803 0.064 0.000 0.840 249 Q CB -0.221 28.571 28.738 0.090 0.000 0.898 249 Q HN 0.551 nan 8.270 nan 0.000 0.430 250 I N 1.294 121.909 120.570 0.075 0.000 2.163 250 I HA -0.310 3.879 4.170 0.031 0.000 0.243 250 I C 1.706 177.862 176.117 0.065 0.000 1.085 250 I CA 1.484 62.840 61.300 0.092 0.000 1.347 250 I CB -0.255 37.803 38.000 0.097 0.000 1.044 250 I HN 0.243 nan 8.210 nan 0.000 0.408 251 D N 0.042 120.477 120.400 0.059 0.000 2.144 251 D HA -0.122 4.536 4.640 0.031 0.000 0.200 251 D C 2.227 178.577 176.300 0.084 0.000 0.978 251 D CA 1.368 55.401 54.000 0.056 0.000 0.833 251 D CB -0.367 40.451 40.800 0.031 0.000 0.961 251 D HN 0.270 nan 8.370 nan 0.000 0.470 252 T N 0.678 115.306 114.554 0.123 0.000 2.708 252 T HA -0.106 4.263 4.350 0.031 0.000 0.266 252 T C 2.028 176.853 174.700 0.209 0.000 1.037 252 T CA 1.500 63.717 62.100 0.195 0.000 1.146 252 T CB -0.268 68.759 68.868 0.264 0.000 0.865 252 T HN 0.186 nan 8.240 nan 0.000 0.435 253 A N 1.396 124.288 122.820 0.121 0.000 1.933 253 A HA 0.135 4.474 4.320 0.031 0.000 0.218 253 A C 2.620 180.314 177.584 0.184 0.000 1.175 253 A CA 1.828 53.960 52.037 0.158 0.000 0.628 253 A CB -1.036 17.791 19.000 -0.288 0.000 0.814 253 A HN 0.507 nan 8.150 nan 0.000 0.444 254 A N -0.985 121.900 122.820 0.109 0.000 1.933 254 A HA -0.168 4.170 4.320 0.031 0.000 0.218 254 A C 2.291 179.900 177.584 0.041 0.000 1.175 254 A CA 1.672 53.759 52.037 0.083 0.000 0.628 254 A CB -1.241 17.797 19.000 0.063 0.000 0.814 254 A HN 0.604 nan 8.150 nan 0.000 0.444 255 C N -1.862 117.441 119.300 0.005 0.000 2.429 255 C HA -0.061 4.418 4.460 0.031 0.000 0.277 255 C C 2.395 177.272 174.990 -0.188 0.000 1.262 255 C CA 0.802 59.758 59.018 -0.102 0.000 1.733 255 C CB -1.720 25.924 27.740 -0.160 0.000 2.010 255 C HN 0.626 nan 8.230 nan 0.000 0.483 256 F N 1.293 121.155 119.950 -0.146 0.000 2.134 256 F HA -0.127 4.418 4.527 0.029 0.000 0.299 256 F C 2.638 178.253 175.800 -0.307 0.000 1.097 256 F CA 1.554 59.346 58.000 -0.345 0.000 1.264 256 F CB -0.590 38.008 39.000 -0.670 0.000 1.001 256 F HN 0.167 nan 8.300 nan 0.000 0.479 257 R N -0.113 120.403 120.500 0.026 0.000 2.081 257 R HA -0.192 4.167 4.340 0.031 0.000 0.235 257 R C 2.098 178.396 176.300 -0.003 0.000 1.131 257 R CA 1.610 57.726 56.100 0.027 0.000 0.960 257 R CB -0.801 29.555 30.300 0.093 0.000 0.856 257 R HN 0.357 nan 8.270 nan 0.000 0.436 258 D N 0.683 121.075 120.400 -0.015 0.000 2.097 258 D HA -0.162 4.497 4.640 0.031 0.000 0.195 258 D C 1.769 178.043 176.300 -0.044 0.000 0.989 258 D CA 1.188 55.173 54.000 -0.025 0.000 0.827 258 D CB 0.250 41.030 40.800 -0.032 0.000 0.966 258 D HN 0.050 nan 8.370 nan 0.000 0.456 259 L N 0.443 121.620 121.223 -0.078 0.000 2.072 259 L HA -0.036 4.322 4.340 0.031 0.000 0.205 259 L C 2.567 179.405 176.870 -0.053 0.000 1.079 259 L CA 0.777 55.570 54.840 -0.080 0.000 0.752 259 L CB -0.465 41.517 42.059 -0.129 0.000 0.906 259 L HN 0.089 nan 8.230 nan 0.000 0.436 260 L N -1.408 119.780 121.223 -0.059 0.000 2.179 260 L HA 0.182 4.541 4.340 0.031 0.000 0.208 260 L C 1.269 178.131 176.870 -0.013 0.000 1.096 260 L CA 0.463 55.278 54.840 -0.041 0.000 0.779 260 L CB -0.701 41.307 42.059 -0.085 0.000 0.922 260 L HN 0.439 nan 8.230 nan 0.000 0.443 261 G N 0.085 108.881 108.800 -0.007 0.000 2.877 261 G HA2 -0.285 3.693 3.960 0.031 0.000 0.279 261 G HA3 -0.285 3.693 3.960 0.031 0.000 0.279 261 G C -0.014 174.902 174.900 0.027 0.000 1.431 261 G CA -0.033 45.074 45.100 0.010 0.000 0.883 261 G HN 0.190 nan 8.290 nan 0.000 0.547 262 D N -0.041 120.377 120.400 0.031 0.000 2.219 262 D HA 0.167 4.826 4.640 0.031 0.000 0.205 262 D C 1.669 177.993 176.300 0.040 0.000 0.970 262 D CA 2.086 56.111 54.000 0.042 0.000 0.851 262 D CB 0.015 40.836 40.800 0.034 0.000 0.943 262 D HN 1.173 nan 8.370 nan 0.000 0.488 263 S N -1.651 114.063 115.700 0.023 0.000 2.615 263 S HA 0.571 5.060 4.470 0.031 0.000 0.268 263 S C -0.742 173.856 174.600 -0.004 0.000 1.146 263 S CA -0.849 57.356 58.200 0.009 0.000 0.818 263 S CB 2.209 65.406 63.200 -0.005 0.000 1.111 263 S HN 0.071 nan 8.310 nan 0.000 0.465 264 S N -0.522 115.164 115.700 -0.023 0.000 2.685 264 S HA 0.562 5.051 4.470 0.031 0.000 0.282 264 S C 0.646 175.217 174.600 -0.049 0.000 1.159 264 S CA -0.305 57.881 58.200 -0.022 0.000 0.833 264 S CB 1.448 64.645 63.200 -0.004 0.000 1.151 264 S HN 0.967 nan 8.310 nan 0.000 0.485 265 E N 0.119 120.299 120.200 -0.034 0.000 2.085 265 E HA -0.148 4.220 4.350 0.031 0.000 0.194 265 E C 1.598 178.159 176.600 -0.065 0.000 0.994 265 E CA 1.836 58.211 56.400 -0.043 0.000 0.801 265 E CB -0.313 29.375 29.700 -0.021 0.000 0.743 265 E HN 0.507 nan 8.360 nan 0.000 0.453 266 V N 1.191 121.080 119.914 -0.042 0.000 2.295 266 V HA -0.290 3.849 4.120 0.031 0.000 0.246 266 V C 2.648 178.645 176.094 -0.161 0.000 1.049 266 V CA 2.049 64.330 62.300 -0.032 0.000 1.024 266 V CB -0.726 31.118 31.823 0.035 0.000 0.648 266 V HN 0.469 nan 8.190 nan 0.000 0.447 267 S N -0.157 115.407 115.700 -0.227 0.000 2.383 267 S HA -0.081 4.407 4.470 0.031 0.000 0.227 267 S C 1.950 175.968 174.600 -0.970 0.000 1.026 267 S CA 1.301 59.092 58.200 -0.682 0.000 0.981 267 S CB -0.551 62.574 63.200 -0.126 0.000 0.818 267 S HN 0.509 nan 8.310 nan 0.000 0.472 268 L N 1.318 122.306 121.223 -0.391 0.000 2.156 268 L HA 0.049 4.407 4.340 0.031 0.000 0.208 268 L C 2.611 179.359 176.870 -0.204 0.000 1.095 268 L CA 1.015 55.712 54.840 -0.239 0.000 0.770 268 L CB -0.527 41.463 42.059 -0.116 0.000 0.914 268 L HN 0.321 nan 8.230 nan 0.000 0.439 269 S N -1.006 114.580 115.700 -0.191 0.000 2.515 269 S HA -0.123 4.366 4.470 0.031 0.000 0.231 269 S C 1.321 175.910 174.600 -0.018 0.000 0.987 269 S CA 0.919 59.073 58.200 -0.076 0.000 0.936 269 S CB -0.299 62.876 63.200 -0.041 0.000 0.766 269 S HN 0.662 nan 8.310 nan 0.000 0.528 270 H N 0.352 119.429 119.070 0.012 0.000 2.923 270 H HA 0.390 4.965 4.556 0.031 0.000 0.268 270 H C 0.605 175.940 175.328 0.012 0.000 1.148 270 H CA -0.361 55.694 56.048 0.012 0.000 1.146 270 H CB -0.331 29.439 29.762 0.013 0.000 1.607 270 H HN 0.086 nan 8.280 nan 0.000 0.566 271 K N 0.848 121.322 120.400 0.122 0.000 2.178 271 K HA -0.377 3.962 4.320 0.031 0.000 0.116 271 K C 0.681 177.431 176.600 0.250 0.000 1.372 271 K CA 1.619 57.971 56.287 0.108 0.000 0.594 271 K CB -1.712 30.831 32.500 0.071 0.000 0.508 271 K HN 0.502 nan 8.250 nan 0.000 0.990 272 N N 2.908 121.692 118.700 0.140 0.000 2.668 272 N HA -0.023 4.735 4.740 0.031 0.000 0.201 272 N C 1.260 176.829 175.510 0.099 0.000 1.408 272 N CA 1.600 54.717 53.050 0.113 0.000 0.905 272 N CB -0.334 38.190 38.487 0.061 0.000 1.093 272 N HN 0.730 nan 8.380 nan 0.000 0.453 273 A N 1.903 124.823 122.820 0.165 0.000 1.434 273 A HA -0.470 3.868 4.320 0.031 0.000 0.361 273 A C 1.604 179.134 177.584 -0.090 0.000 4.569 273 A CA 3.012 55.005 52.037 -0.074 0.000 0.985 273 A CB -2.057 16.486 19.000 -0.761 0.000 0.666 273 A HN 0.680 nan 8.150 nan 0.000 0.527 274 D N -0.626 119.735 120.400 -0.065 0.000 2.467 274 D HA -0.248 4.410 4.640 0.031 0.000 0.207 274 D C 1.326 177.609 176.300 -0.028 0.000 1.007 274 D CA 1.485 55.461 54.000 -0.040 0.000 0.968 274 D CB -0.371 40.427 40.800 -0.003 0.000 0.865 274 D HN 0.788 nan 8.370 nan 0.000 0.471 275 K N -0.142 120.246 120.400 -0.020 0.000 2.227 275 K HA -0.202 4.136 4.320 0.031 0.000 0.208 275 K C 0.381 176.970 176.600 -0.018 0.000 1.045 275 K CA 1.161 57.440 56.287 -0.014 0.000 0.931 275 K CB 0.029 32.523 32.500 -0.010 0.000 0.721 275 K HN 0.265 nan 8.250 nan 0.000 0.469 276 V N 1.750 121.648 119.914 -0.027 0.000 2.349 276 V HA 0.165 4.304 4.120 0.031 0.000 0.284 276 V C -0.927 175.151 176.094 -0.026 0.000 1.014 276 V CA -1.062 61.223 62.300 -0.025 0.000 0.826 276 V CB 1.366 33.172 31.823 -0.028 0.000 1.009 276 V HN 0.120 nan 8.190 nan 0.000 0.431 277 Q N 3.704 123.494 119.800 -0.017 0.000 2.568 277 Q HA -0.030 4.328 4.340 0.031 0.000 0.367 277 Q C -0.154 175.841 176.000 -0.008 0.000 1.138 277 Q CA 1.069 56.867 55.803 -0.008 0.000 1.109 277 Q CB 0.298 29.042 28.738 0.009 0.000 1.138 277 Q HN 0.740 nan 8.270 nan 0.000 0.419 278 D N 3.013 123.409 120.400 -0.006 0.000 2.339 278 D HA 0.271 4.929 4.640 0.031 0.000 0.245 278 D C -2.052 174.267 176.300 0.031 0.000 1.115 278 D CA -1.430 52.569 54.000 -0.002 0.000 0.917 278 D CB 0.323 41.115 40.800 -0.013 0.000 1.192 278 D HN 0.201 nan 8.370 nan 0.000 0.428 279 P HA -0.012 nan 4.420 nan 0.000 0.270 279 P C 0.774 178.157 177.300 0.137 0.000 1.223 279 P CA -0.164 62.940 63.100 0.008 0.000 0.785 279 P CB 0.354 32.033 31.700 -0.035 0.000 0.923 280 Y N 0.222 120.501 120.300 -0.035 0.000 2.256 280 Y HA -0.172 4.395 4.550 0.029 0.000 0.288 280 Y C 2.452 178.332 175.900 -0.033 0.000 1.155 280 Y CA 1.563 59.640 58.100 -0.038 0.000 1.203 280 Y CB -1.994 36.451 38.460 -0.024 0.000 0.980 280 Y HN 0.351 nan 8.280 nan 0.000 0.530 281 S N -0.529 115.251 115.700 0.134 0.000 2.469 281 S HA -0.112 4.376 4.470 0.031 0.000 0.238 281 S C 1.820 176.451 174.600 0.051 0.000 0.998 281 S CA 1.029 59.276 58.200 0.079 0.000 0.957 281 S CB -0.753 62.480 63.200 0.054 0.000 0.764 281 S HN 0.439 nan 8.310 nan 0.000 0.514 282 L N 0.326 121.572 121.223 0.038 0.000 2.265 282 L HA 0.287 4.646 4.340 0.031 0.000 0.195 282 L C 2.959 179.785 176.870 -0.073 0.000 1.083 282 L CA 0.857 55.703 54.840 0.009 0.000 0.798 282 L CB -0.440 41.631 42.059 0.020 0.000 0.989 282 L HN 0.234 nan 8.230 nan 0.000 0.472 283 R N -0.075 120.377 120.500 -0.081 0.000 2.189 283 R HA -0.058 4.301 4.340 0.031 0.000 0.218 283 R C 1.413 177.579 176.300 -0.224 0.000 1.074 283 R CA 0.987 56.965 56.100 -0.203 0.000 0.991 283 R CB -0.081 30.155 30.300 -0.107 0.000 0.883 283 R HN 0.374 nan 8.270 nan 0.000 0.457 284 C N 0.860 120.088 119.300 -0.120 0.000 2.688 284 C HA 0.252 4.731 4.460 0.031 0.000 0.297 284 C C 1.644 176.600 174.990 -0.057 0.000 1.308 284 C CA -0.596 58.357 59.018 -0.109 0.000 1.726 284 C CB -0.467 27.207 27.740 -0.111 0.000 1.982 284 C HN 0.564 nan 8.230 nan 0.000 0.604 285 Q N 1.879 121.627 119.800 -0.087 0.000 2.096 285 Q HA -0.166 4.193 4.340 0.031 0.000 0.204 285 Q C -0.505 175.532 176.000 0.061 0.000 0.982 285 Q CA 1.828 57.621 55.803 -0.017 0.000 0.850 285 Q CB -0.717 27.927 28.738 -0.158 0.000 0.901 285 Q HN 0.499 nan 8.270 nan 0.000 0.422 286 P HA -0.158 nan 4.420 nan 0.000 0.217 286 P C 0.830 178.166 177.300 0.060 0.000 1.150 286 P CA 1.275 64.399 63.100 0.039 0.000 0.832 286 P CB 0.104 31.654 31.700 -0.250 0.000 0.787 287 Q N -0.972 118.853 119.800 0.042 0.000 2.046 287 Q HA -0.079 4.280 4.340 0.031 0.000 0.200 287 Q C 2.138 178.174 176.000 0.060 0.000 0.975 287 Q CA 1.306 57.138 55.803 0.049 0.000 0.836 287 Q CB -1.326 27.418 28.738 0.009 0.000 0.896 287 Q HN 0.085 nan 8.270 nan 0.000 0.428 288 V N -0.110 119.842 119.914 0.063 0.000 2.302 288 V HA -0.180 3.958 4.120 0.031 0.000 0.243 288 V C 2.005 178.169 176.094 0.116 0.000 1.036 288 V CA 1.320 63.666 62.300 0.078 0.000 1.020 288 V CB -0.400 31.465 31.823 0.071 0.000 0.657 288 V HN 0.403 nan 8.190 nan 0.000 0.453 289 M N 0.510 120.201 119.600 0.153 0.000 2.229 289 M HA -0.049 4.450 4.480 0.031 0.000 0.264 289 M C 2.269 178.735 176.300 0.277 0.000 1.063 289 M CA 1.841 57.270 55.300 0.215 0.000 1.114 289 M CB -1.663 31.057 32.600 0.200 0.000 1.387 289 M HN 0.460 nan 8.290 nan 0.000 0.420 290 G N -0.012 108.910 108.800 0.203 0.000 2.402 290 G HA2 -0.055 3.923 3.960 0.031 0.000 0.216 290 G HA3 -0.055 3.923 3.960 0.031 0.000 0.216 290 G C 1.678 176.644 174.900 0.110 0.000 1.162 290 G CA 1.063 46.258 45.100 0.158 0.000 0.777 290 G HN 0.526 nan 8.290 nan 0.000 0.539 291 A N 0.110 122.987 122.820 0.095 0.000 1.908 291 A HA -0.101 4.238 4.320 0.031 0.000 0.218 291 A C 2.578 180.205 177.584 0.072 0.000 1.181 291 A CA 1.825 53.903 52.037 0.068 0.000 0.627 291 A CB -1.020 18.016 19.000 0.059 0.000 0.818 291 A HN 0.426 nan 8.150 nan 0.000 0.445 292 C N -1.358 118.007 119.300 0.108 0.000 2.429 292 C HA -0.071 4.407 4.460 0.031 0.000 0.277 292 C C 2.522 177.555 174.990 0.073 0.000 1.262 292 C CA 1.108 60.194 59.018 0.114 0.000 1.733 292 C CB -1.446 26.402 27.740 0.179 0.000 2.010 292 C HN 0.679 nan 8.230 nan 0.000 0.483 293 L N 1.051 122.312 121.223 0.063 0.000 2.046 293 L HA -0.115 4.243 4.340 0.031 0.000 0.208 293 L C 2.516 179.341 176.870 -0.074 0.000 1.077 293 L CA 2.197 56.965 54.840 -0.120 0.000 0.747 293 L CB -1.264 40.692 42.059 -0.171 0.000 0.896 293 L HN 0.274 nan 8.230 nan 0.000 0.432 294 T N -1.003 113.541 114.554 -0.017 0.000 2.684 294 T HA -0.215 4.153 4.350 0.031 0.000 0.267 294 T C 1.837 176.529 174.700 -0.014 0.000 1.036 294 T CA 1.464 63.555 62.100 -0.014 0.000 1.148 294 T CB -0.197 68.675 68.868 0.006 0.000 0.863 294 T HN 0.282 nan 8.240 nan 0.000 0.436 295 Q N 0.959 120.758 119.800 -0.001 0.000 2.061 295 Q HA -0.090 4.268 4.340 0.031 0.000 0.204 295 Q C 2.378 178.370 176.000 -0.012 0.000 0.984 295 Q CA 1.314 57.117 55.803 0.001 0.000 0.846 295 Q CB -0.787 27.961 28.738 0.018 0.000 0.902 295 Q HN 0.648 nan 8.270 nan 0.000 0.421 296 L N -1.191 120.018 121.223 -0.023 0.000 2.141 296 L HA -0.010 4.348 4.340 0.031 0.000 0.209 296 L C 2.019 178.859 176.870 -0.049 0.000 1.094 296 L CA 1.590 56.408 54.840 -0.037 0.000 0.763 296 L CB -0.544 41.494 42.059 -0.035 0.000 0.908 296 L HN -0.048 nan 8.230 nan 0.000 0.437 297 R N -0.203 120.263 120.500 -0.057 0.000 2.092 297 R HA -0.087 4.271 4.340 0.031 0.000 0.231 297 R C 2.393 178.673 176.300 -0.033 0.000 1.119 297 R CA 1.811 57.882 56.100 -0.049 0.000 0.970 297 R CB -0.421 29.848 30.300 -0.052 0.000 0.864 297 R HN 0.598 nan 8.270 nan 0.000 0.440 298 Q N -0.084 119.700 119.800 -0.026 0.000 2.079 298 Q HA -0.083 4.276 4.340 0.031 0.000 0.200 298 Q C 2.202 178.189 176.000 -0.023 0.000 0.974 298 Q CA 1.456 57.247 55.803 -0.020 0.000 0.840 298 Q CB -0.093 28.636 28.738 -0.014 0.000 0.898 298 Q HN 0.346 nan 8.270 nan 0.000 0.430 299 A N 1.214 124.018 122.820 -0.026 0.000 1.902 299 A HA -0.112 4.226 4.320 0.031 0.000 0.217 299 A C 2.314 179.873 177.584 -0.042 0.000 1.181 299 A CA 1.554 53.572 52.037 -0.032 0.000 0.623 299 A CB -0.778 18.202 19.000 -0.034 0.000 0.818 299 A HN 0.390 nan 8.150 nan 0.000 0.443 300 A N -0.353 122.441 122.820 -0.044 0.000 1.933 300 A HA -0.194 4.145 4.320 0.031 0.000 0.218 300 A C 2.043 179.611 177.584 -0.028 0.000 1.175 300 A CA 1.788 53.799 52.037 -0.043 0.000 0.628 300 A CB -0.525 18.456 19.000 -0.032 0.000 0.814 300 A HN 0.688 nan 8.150 nan 0.000 0.444 301 E N -0.030 120.157 120.200 -0.022 0.000 2.051 301 E HA -0.151 4.218 4.350 0.031 0.000 0.192 301 E C 1.902 178.492 176.600 -0.016 0.000 0.991 301 E CA 1.675 58.066 56.400 -0.015 0.000 0.799 301 E CB -0.143 29.549 29.700 -0.015 0.000 0.748 301 E HN 0.336 nan 8.360 nan 0.000 0.449 302 V N 1.426 121.328 119.914 -0.020 0.000 2.343 302 V HA -0.259 3.880 4.120 0.031 0.000 0.247 302 V C 2.495 178.577 176.094 -0.021 0.000 1.051 302 V CA 1.497 63.786 62.300 -0.019 0.000 1.036 302 V CB -0.422 31.390 31.823 -0.019 0.000 0.654 302 V HN 0.324 nan 8.190 nan 0.000 0.451 303 L N 0.275 121.479 121.223 -0.032 0.000 2.093 303 L HA -0.019 4.340 4.340 0.031 0.000 0.208 303 L C 2.623 179.478 176.870 -0.024 0.000 1.085 303 L CA 1.539 56.355 54.840 -0.041 0.000 0.755 303 L CB -1.088 40.922 42.059 -0.082 0.000 0.904 303 L HN 0.462 nan 8.230 nan 0.000 0.435 304 G N 0.246 109.038 108.800 -0.014 0.000 2.408 304 G HA2 -0.177 3.801 3.960 0.031 0.000 0.217 304 G HA3 -0.177 3.801 3.960 0.031 0.000 0.217 304 G C 1.557 176.463 174.900 0.010 0.000 1.150 304 G CA 0.248 45.353 45.100 0.008 0.000 0.776 304 G HN 0.117 nan 8.290 nan 0.000 0.542 305 I N 0.972 121.543 120.570 0.002 0.000 2.179 305 I HA -0.113 4.076 4.170 0.031 0.000 0.242 305 I C 2.579 178.697 176.117 0.003 0.000 1.088 305 I CA 1.444 62.745 61.300 0.002 0.000 1.357 305 I CB -0.869 37.127 38.000 -0.005 0.000 1.051 305 I HN 0.216 nan 8.210 nan 0.000 0.409 306 E N 1.232 121.431 120.200 -0.002 0.000 2.153 306 E HA -0.140 4.229 4.350 0.031 0.000 0.194 306 E C 2.162 178.768 176.600 0.010 0.000 0.988 306 E CA 1.377 57.777 56.400 0.000 0.000 0.811 306 E CB -0.143 29.554 29.700 -0.005 0.000 0.746 306 E HN 0.400 nan 8.360 nan 0.000 0.466 307 A N 0.485 123.313 122.820 0.014 0.000 2.024 307 A HA -0.162 4.177 4.320 0.031 0.000 0.220 307 A C 1.686 179.291 177.584 0.036 0.000 1.164 307 A CA 1.590 53.644 52.037 0.028 0.000 0.643 307 A CB -0.346 18.677 19.000 0.038 0.000 0.806 307 A HN 0.224 nan 8.150 nan 0.000 0.451 308 N N -0.449 118.269 118.700 0.031 0.000 2.236 308 N HA 0.249 5.008 4.740 0.031 0.000 0.196 308 N C 0.339 175.868 175.510 0.032 0.000 1.114 308 N CA 0.659 53.731 53.050 0.037 0.000 0.859 308 N CB 0.202 38.710 38.487 0.035 0.000 0.982 308 N HN 0.440 nan 8.380 nan 0.000 0.493 309 A N 0.664 123.497 122.820 0.020 0.000 2.371 309 A HA 0.356 4.695 4.320 0.031 0.000 0.257 309 A C 0.388 177.979 177.584 0.013 0.000 1.089 309 A CA -0.276 51.764 52.037 0.004 0.000 0.794 309 A CB 0.637 19.635 19.000 -0.003 0.000 1.029 309 A HN -0.020 nan 8.150 nan 0.000 0.488 310 V N 2.851 122.755 119.914 -0.017 0.000 2.405 310 V HA 0.236 4.375 4.120 0.031 0.000 0.264 310 V C 1.078 177.168 176.094 -0.006 0.000 1.048 310 V CA 0.952 63.245 62.300 -0.010 0.000 0.966 310 V CB 0.395 32.159 31.823 -0.098 0.000 1.015 310 V HN 1.082 nan 8.190 nan 0.000 0.477 311 S N 1.364 117.084 115.700 0.033 0.000 2.666 311 S HA 0.132 4.621 4.470 0.031 0.000 0.239 311 S C 0.367 175.036 174.600 0.114 0.000 1.031 311 S CA -0.508 57.723 58.200 0.052 0.000 1.015 311 S CB 0.031 63.263 63.200 0.054 0.000 0.981 311 S HN 0.800 nan 8.310 nan 0.000 0.547 312 D N 1.704 122.169 120.400 0.109 0.000 2.469 312 D HA 0.456 5.115 4.640 0.031 0.000 0.278 312 D C -0.266 176.150 176.300 0.193 0.000 1.231 312 D CA -0.455 53.634 54.000 0.149 0.000 1.075 312 D CB 0.264 41.119 40.800 0.093 0.000 1.121 312 D HN 0.239 nan 8.370 nan 0.000 0.571 313 N N -1.606 117.214 118.700 0.200 0.000 2.935 313 N HA 0.288 5.046 4.740 0.031 0.000 0.248 313 N C -2.965 172.649 175.510 0.174 0.000 1.276 313 N CA -1.103 52.091 53.050 0.240 0.000 0.906 313 N CB 2.103 40.876 38.487 0.478 0.000 1.564 313 N HN 0.100 nan 8.380 nan 0.000 0.500 314 P HA 0.181 nan 4.420 nan 0.000 0.271 314 P C -0.724 176.614 177.300 0.063 0.000 1.233 314 P CA -0.117 63.083 63.100 0.167 0.000 0.789 314 P CB 0.887 32.698 31.700 0.186 0.000 0.951 315 L N 0.618 121.851 121.223 0.018 0.000 2.343 315 L HA 0.422 4.781 4.340 0.031 0.000 0.275 315 L C 0.067 176.716 176.870 -0.369 0.000 1.056 315 L CA -1.212 53.510 54.840 -0.197 0.000 0.804 315 L CB 1.660 43.548 42.059 -0.286 0.000 1.203 315 L HN 0.088 nan 8.230 nan 0.000 0.440 316 V N 2.560 122.219 119.914 -0.425 0.000 2.347 316 V HA 0.297 4.436 4.120 0.031 0.000 0.280 316 V C -0.658 175.167 176.094 -0.448 0.000 1.021 316 V CA -0.283 61.834 62.300 -0.305 0.000 0.847 316 V CB 1.163 32.903 31.823 -0.138 0.000 0.990 316 V HN 0.384 nan 8.190 nan 0.000 0.444 317 F N 3.485 123.514 119.950 0.131 0.000 2.319 317 F HA 0.517 5.063 4.527 0.030 0.000 0.356 317 F C 1.264 177.096 175.800 0.052 0.000 1.100 317 F CA -0.534 57.546 58.000 0.133 0.000 1.220 317 F CB 1.047 40.134 39.000 0.145 0.000 1.506 317 F HN 0.578 nan 8.300 nan 0.000 0.512 318 A N 1.858 124.732 122.820 0.090 0.000 2.019 318 A HA -0.017 4.322 4.320 0.031 0.000 0.219 318 A C 2.363 179.983 177.584 0.061 0.000 1.164 318 A CA 1.718 53.777 52.037 0.038 0.000 0.644 318 A CB -0.528 18.455 19.000 -0.029 0.000 0.805 318 A HN 0.639 nan 8.150 nan 0.000 0.449 319 A N -0.352 122.521 122.820 0.088 0.000 1.969 319 A HA -0.072 4.267 4.320 0.031 0.000 0.218 319 A C 1.818 179.444 177.584 0.071 0.000 1.169 319 A CA 1.824 53.901 52.037 0.067 0.000 0.635 319 A CB -0.249 18.796 19.000 0.075 0.000 0.810 319 A HN 0.493 nan 8.150 nan 0.000 0.445 320 E N -1.987 118.277 120.200 0.106 0.000 2.431 320 E HA 0.331 4.700 4.350 0.031 0.000 0.200 320 E C 1.123 177.772 176.600 0.082 0.000 0.995 320 E CA 0.676 57.126 56.400 0.083 0.000 0.915 320 E CB 0.223 29.970 29.700 0.079 0.000 0.930 320 E HN 0.704 nan 8.360 nan 0.000 0.496 321 G N 1.115 109.973 108.800 0.096 0.000 2.136 321 G HA2 -0.211 3.768 3.960 0.031 0.000 0.242 321 G HA3 -0.211 3.768 3.960 0.031 0.000 0.242 321 G C -0.589 174.367 174.900 0.094 0.000 0.989 321 G CA 0.130 45.275 45.100 0.076 0.000 0.682 321 G HN 0.164 nan 8.290 nan 0.000 0.522 322 D N -0.303 120.188 120.400 0.151 0.000 2.163 322 D HA 0.602 5.260 4.640 0.031 0.000 0.248 322 D C 0.057 176.482 176.300 0.207 0.000 1.035 322 D CA -0.242 53.866 54.000 0.180 0.000 0.872 322 D CB 2.141 43.075 40.800 0.223 0.000 1.183 322 D HN 0.088 nan 8.370 nan 0.000 0.445 323 V N 3.371 123.380 119.914 0.159 0.000 2.448 323 V HA 0.471 4.610 4.120 0.031 0.000 0.295 323 V C 0.072 176.276 176.094 0.184 0.000 1.025 323 V CA -0.634 61.745 62.300 0.132 0.000 0.859 323 V CB 1.481 33.350 31.823 0.077 0.000 0.988 323 V HN 0.376 nan 8.190 nan 0.000 0.431 324 I N 3.085 123.793 120.570 0.229 0.000 2.498 324 I HA 0.407 4.595 4.170 0.031 0.000 0.290 324 I C -0.081 176.169 176.117 0.222 0.000 1.032 324 I CA -0.443 61.003 61.300 0.243 0.000 1.073 324 I CB 2.285 40.480 38.000 0.326 0.000 1.251 324 I HN 0.552 nan 8.210 nan 0.000 0.426 325 S N 3.713 119.535 115.700 0.203 0.000 2.438 325 S HA 0.750 5.239 4.470 0.031 0.000 0.293 325 S C 0.058 174.754 174.600 0.160 0.000 1.141 325 S CA -0.213 58.120 58.200 0.223 0.000 1.080 325 S CB 0.735 64.071 63.200 0.227 0.000 0.978 325 S HN 0.868 nan 8.310 nan 0.000 0.479 326 G N 2.516 111.411 108.800 0.160 0.000 3.259 326 G HA2 0.609 4.588 3.960 0.031 0.000 0.178 326 G HA3 0.609 4.588 3.960 0.031 0.000 0.178 326 G C 0.241 175.136 174.900 -0.009 0.000 1.129 326 G CA -0.165 44.974 45.100 0.065 0.000 0.816 326 G HN 0.971 nan 8.290 nan 0.000 0.634 327 G N -0.349 108.305 108.800 -0.244 0.000 4.424 327 G HA2 0.190 4.169 3.960 0.031 0.000 0.287 327 G HA3 0.190 4.169 3.960 0.031 0.000 0.287 327 G C 0.385 174.768 174.900 -0.861 0.000 1.023 327 G CA -0.063 44.593 45.100 -0.739 0.000 0.790 327 G HN 0.264 nan 8.290 nan 0.000 0.468 328 N N 1.006 119.406 118.700 -0.500 0.000 2.520 328 N HA -0.045 4.714 4.740 0.031 0.000 0.185 328 N C 1.713 177.106 175.510 -0.196 0.000 1.068 328 N CA 0.386 53.280 53.050 -0.261 0.000 0.911 328 N CB -0.277 38.150 38.487 -0.100 0.000 0.961 328 N HN 0.596 nan 8.380 nan 0.000 0.446 329 F N -0.602 119.394 119.950 0.076 0.000 2.604 329 F HA 0.082 4.626 4.527 0.029 0.000 0.298 329 F C 0.997 176.835 175.800 0.065 0.000 1.131 329 F CA 0.006 58.039 58.000 0.055 0.000 1.457 329 F CB -1.143 37.883 39.000 0.044 0.000 1.095 329 F HN 0.001 nan 8.300 nan 0.000 0.574 330 H N 1.838 120.826 119.070 -0.135 0.000 2.878 330 H HA 0.466 5.040 4.556 0.029 0.000 0.290 330 H C 0.496 175.833 175.328 0.015 0.000 1.065 330 H CA -0.150 55.917 56.048 0.031 0.000 1.477 330 H CB 1.351 31.087 29.762 -0.043 0.000 1.484 330 H HN 0.252 nan 8.280 nan 0.000 0.504 331 A N 4.508 127.422 122.820 0.157 0.000 2.359 331 A HA 0.012 4.350 4.320 0.031 0.000 0.240 331 A C 1.974 179.663 177.584 0.176 0.000 1.306 331 A CA 0.136 52.245 52.037 0.120 0.000 0.898 331 A CB -0.313 18.700 19.000 0.022 0.000 0.956 331 A HN 0.810 nan 8.150 nan 0.000 0.497 332 E N 1.732 122.166 120.200 0.390 0.000 2.108 332 E HA -0.199 4.170 4.350 0.031 0.000 0.203 332 E C -0.535 176.125 176.600 0.101 0.000 1.022 332 E CA 2.641 59.188 56.400 0.244 0.000 0.823 332 E CB -0.580 29.214 29.700 0.157 0.000 0.744 332 E HN 0.517 nan 8.360 nan 0.000 0.456 333 P HA -0.113 nan 4.420 nan 0.000 0.218 333 P C 1.390 178.701 177.300 0.018 0.000 1.149 333 P CA 1.071 64.184 63.100 0.022 0.000 0.817 333 P CB 0.051 31.753 31.700 0.004 0.000 0.785 334 V N 0.989 120.916 119.914 0.022 0.000 2.358 334 V HA -0.198 3.940 4.120 0.031 0.000 0.246 334 V C 2.887 178.986 176.094 0.008 0.000 1.047 334 V CA 2.097 64.400 62.300 0.005 0.000 1.035 334 V CB -1.740 30.081 31.823 -0.003 0.000 0.658 334 V HN 0.098 nan 8.190 nan 0.000 0.452 335 A N -0.279 122.556 122.820 0.025 0.000 1.908 335 A HA -0.250 4.089 4.320 0.031 0.000 0.218 335 A C 2.259 179.860 177.584 0.028 0.000 1.181 335 A CA 2.332 54.387 52.037 0.029 0.000 0.627 335 A CB -0.491 18.540 19.000 0.052 0.000 0.818 335 A HN 0.499 nan 8.150 nan 0.000 0.445 336 M N -0.704 118.913 119.600 0.029 0.000 2.175 336 M HA -0.110 4.389 4.480 0.031 0.000 0.264 336 M C 2.546 178.849 176.300 0.005 0.000 1.063 336 M CA 1.287 56.597 55.300 0.016 0.000 1.119 336 M CB -0.451 32.157 32.600 0.014 0.000 1.377 336 M HN 0.484 nan 8.290 nan 0.000 0.415 337 A N 0.618 123.438 122.820 0.000 0.000 1.908 337 A HA -0.087 4.251 4.320 0.031 0.000 0.218 337 A C 2.381 179.959 177.584 -0.009 0.000 1.181 337 A CA 2.019 54.050 52.037 -0.010 0.000 0.627 337 A CB -0.893 18.095 19.000 -0.020 0.000 0.818 337 A HN 0.497 nan 8.150 nan 0.000 0.445 338 A N -0.089 122.728 122.820 -0.005 0.000 1.873 338 A HA -0.164 4.175 4.320 0.031 0.000 0.215 338 A C 1.778 179.369 177.584 0.011 0.000 1.186 338 A CA 1.797 53.833 52.037 -0.001 0.000 0.616 338 A CB -0.585 18.412 19.000 -0.006 0.000 0.823 338 A HN 0.445 nan 8.150 nan 0.000 0.442 339 D N 0.241 120.652 120.400 0.017 0.000 2.178 339 D HA -0.129 4.529 4.640 0.031 0.000 0.201 339 D C 1.562 177.867 176.300 0.007 0.000 0.980 339 D CA 1.116 55.126 54.000 0.015 0.000 0.842 339 D CB -0.350 40.452 40.800 0.004 0.000 0.948 339 D HN 0.370 nan 8.370 nan 0.000 0.472 340 N N 0.493 119.195 118.700 0.004 0.000 2.084 340 N HA -0.078 4.681 4.740 0.031 0.000 0.190 340 N C 2.085 177.603 175.510 0.012 0.000 1.030 340 N CA 0.391 53.444 53.050 0.004 0.000 0.849 340 N CB -0.500 37.986 38.487 -0.002 0.000 1.012 340 N HN 0.245 nan 8.380 nan 0.000 0.423 341 L N 0.671 121.901 121.223 0.012 0.000 2.131 341 L HA -0.116 4.243 4.340 0.031 0.000 0.210 341 L C 2.322 179.217 176.870 0.042 0.000 1.092 341 L CA 0.949 55.803 54.840 0.023 0.000 0.759 341 L CB -0.459 41.610 42.059 0.015 0.000 0.903 341 L HN 0.126 nan 8.230 nan 0.000 0.435 342 A N 0.311 123.154 122.820 0.038 0.000 1.908 342 A HA -0.181 4.157 4.320 0.031 0.000 0.218 342 A C 2.234 179.846 177.584 0.047 0.000 1.181 342 A CA 1.449 53.515 52.037 0.048 0.000 0.627 342 A CB -0.652 18.374 19.000 0.043 0.000 0.818 342 A HN 0.379 nan 8.150 nan 0.000 0.445 343 L N -0.902 120.343 121.223 0.036 0.000 2.042 343 L HA -0.221 4.138 4.340 0.031 0.000 0.210 343 L C 3.106 180.007 176.870 0.052 0.000 1.076 343 L CA 1.225 56.088 54.840 0.037 0.000 0.749 343 L CB -0.777 41.298 42.059 0.027 0.000 0.893 343 L HN 0.446 nan 8.230 nan 0.000 0.432 344 A N 0.494 123.347 122.820 0.056 0.000 1.877 344 A HA -0.158 4.180 4.320 0.031 0.000 0.216 344 A C 2.221 179.858 177.584 0.088 0.000 1.186 344 A CA 1.500 53.582 52.037 0.075 0.000 0.620 344 A CB -0.645 18.397 19.000 0.071 0.000 0.822 344 A HN 0.341 nan 8.150 nan 0.000 0.443 345 I N -0.219 120.402 120.570 0.086 0.000 2.226 345 I HA -0.273 3.915 4.170 0.031 0.000 0.245 345 I C 2.965 179.131 176.117 0.081 0.000 1.100 345 I CA 0.996 62.352 61.300 0.095 0.000 1.374 345 I CB -0.357 37.707 38.000 0.105 0.000 1.057 345 I HN 0.363 nan 8.210 nan 0.000 0.413 346 A N 0.403 123.266 122.820 0.071 0.000 1.877 346 A HA -0.193 4.146 4.320 0.031 0.000 0.216 346 A C 2.251 179.873 177.584 0.063 0.000 1.186 346 A CA 1.563 53.638 52.037 0.063 0.000 0.620 346 A CB -0.397 18.636 19.000 0.055 0.000 0.822 346 A HN 0.329 nan 8.150 nan 0.000 0.443 347 E N -0.274 119.966 120.200 0.066 0.000 2.216 347 E HA -0.036 4.332 4.350 0.031 0.000 0.192 347 E C 1.950 178.595 176.600 0.074 0.000 0.988 347 E CA 0.525 56.966 56.400 0.068 0.000 0.834 347 E CB -0.313 29.427 29.700 0.067 0.000 0.772 347 E HN 0.729 nan 8.360 nan 0.000 0.479 348 I N 0.760 121.380 120.570 0.083 0.000 2.163 348 I HA -0.226 3.962 4.170 0.031 0.000 0.243 348 I C 2.463 178.618 176.117 0.064 0.000 1.085 348 I CA 1.511 62.857 61.300 0.077 0.000 1.347 348 I CB -0.503 37.549 38.000 0.087 0.000 1.044 348 I HN 0.116 nan 8.210 nan 0.000 0.408 349 G N -0.629 108.209 108.800 0.064 0.000 2.402 349 G HA2 -0.276 3.702 3.960 0.031 0.000 0.216 349 G HA3 -0.276 3.702 3.960 0.031 0.000 0.216 349 G C 1.768 176.701 174.900 0.056 0.000 1.162 349 G CA 0.984 46.118 45.100 0.058 0.000 0.777 349 G HN 0.397 nan 8.290 nan 0.000 0.539 350 S N -0.173 115.561 115.700 0.056 0.000 2.368 350 S HA -0.082 4.407 4.470 0.031 0.000 0.225 350 S C 2.341 176.974 174.600 0.055 0.000 1.030 350 S CA 1.377 59.609 58.200 0.053 0.000 0.999 350 S CB -0.263 62.969 63.200 0.052 0.000 0.844 350 S HN 0.184 nan 8.310 nan 0.000 0.459 351 L N 1.407 122.666 121.223 0.061 0.000 2.056 351 L HA 0.049 4.408 4.340 0.031 0.000 0.207 351 L C 2.659 179.566 176.870 0.061 0.000 1.078 351 L CA 2.125 57.003 54.840 0.064 0.000 0.749 351 L CB -1.080 41.023 42.059 0.073 0.000 0.901 351 L HN 0.421 nan 8.230 nan 0.000 0.433 352 S N -0.969 114.767 115.700 0.060 0.000 2.368 352 S HA -0.244 4.245 4.470 0.031 0.000 0.225 352 S C 2.100 176.736 174.600 0.060 0.000 1.030 352 S CA 1.467 59.703 58.200 0.061 0.000 0.999 352 S CB -0.485 62.750 63.200 0.058 0.000 0.844 352 S HN 0.579 nan 8.310 nan 0.000 0.459 353 E N 0.901 121.135 120.200 0.056 0.000 2.118 353 E HA -0.158 4.211 4.350 0.031 0.000 0.195 353 E C 2.145 178.772 176.600 0.045 0.000 0.992 353 E CA 0.897 57.328 56.400 0.052 0.000 0.804 353 E CB -0.188 29.540 29.700 0.047 0.000 0.741 353 E HN 0.352 nan 8.360 nan 0.000 0.458 354 R N 0.316 120.842 120.500 0.043 0.000 2.115 354 R HA -0.004 4.354 4.340 0.031 0.000 0.230 354 R C 2.453 178.771 176.300 0.030 0.000 1.111 354 R CA 0.766 56.886 56.100 0.033 0.000 0.976 354 R CB -0.510 29.811 30.300 0.034 0.000 0.870 354 R HN 0.233 nan 8.270 nan 0.000 0.445 355 R N 0.177 120.701 120.500 0.040 0.000 2.092 355 R HA 0.003 4.362 4.340 0.031 0.000 0.231 355 R C 2.390 178.707 176.300 0.029 0.000 1.119 355 R CA 1.070 57.191 56.100 0.036 0.000 0.970 355 R CB -0.373 29.957 30.300 0.050 0.000 0.864 355 R HN 0.180 nan 8.270 nan 0.000 0.440 356 I N 0.472 121.067 120.570 0.042 0.000 2.163 356 I HA -0.293 3.896 4.170 0.031 0.000 0.243 356 I C 2.194 178.326 176.117 0.026 0.000 1.085 356 I CA 1.323 62.650 61.300 0.044 0.000 1.347 356 I CB -0.273 37.770 38.000 0.071 0.000 1.044 356 I HN 0.072 nan 8.210 nan 0.000 0.408 357 S N 0.781 116.498 115.700 0.027 0.000 2.370 357 S HA -0.181 4.308 4.470 0.031 0.000 0.226 357 S C 1.910 176.501 174.600 -0.015 0.000 1.033 357 S CA 1.283 59.492 58.200 0.016 0.000 1.011 357 S CB -0.442 62.770 63.200 0.020 0.000 0.852 357 S HN 0.316 nan 8.310 nan 0.000 0.457 358 L N 1.756 122.969 121.223 -0.016 0.000 2.012 358 L HA 0.013 4.371 4.340 0.031 0.000 0.210 358 L C 2.090 178.925 176.870 -0.057 0.000 1.073 358 L CA 1.811 56.631 54.840 -0.033 0.000 0.748 358 L CB -0.649 41.399 42.059 -0.018 0.000 0.891 358 L HN 0.297 nan 8.230 nan 0.000 0.431 359 M N -1.660 117.908 119.600 -0.053 0.000 2.358 359 M HA -0.175 4.324 4.480 0.031 0.000 0.264 359 M C 1.622 177.844 176.300 -0.131 0.000 1.064 359 M CA 1.169 56.418 55.300 -0.085 0.000 1.093 359 M CB -0.204 32.346 32.600 -0.083 0.000 1.401 359 M HN 0.298 nan 8.290 nan 0.000 0.440 360 M N -0.668 118.858 119.600 -0.124 0.000 2.558 360 M HA 0.050 4.549 4.480 0.031 0.000 0.255 360 M C 0.216 176.279 176.300 -0.395 0.000 1.113 360 M CA 0.635 55.804 55.300 -0.218 0.000 1.097 360 M CB -0.896 31.662 32.600 -0.071 0.000 1.426 360 M HN -0.020 nan 8.290 nan 0.000 0.488 361 D N 1.828 122.077 120.400 -0.252 0.000 2.396 361 D HA 0.101 4.760 4.640 0.031 0.000 0.225 361 D C 1.040 177.193 176.300 -0.245 0.000 1.121 361 D CA 0.007 53.866 54.000 -0.236 0.000 0.853 361 D CB 0.941 41.676 40.800 -0.108 0.000 1.043 361 D HN 0.325 nan 8.370 nan 0.000 0.500 362 K N 2.609 122.791 120.400 -0.363 0.000 2.281 362 K HA -0.184 4.154 4.320 0.031 0.000 0.203 362 K C 0.740 177.153 176.600 -0.312 0.000 1.046 362 K CA 1.212 57.289 56.287 -0.350 0.000 0.938 362 K CB -0.251 31.990 32.500 -0.432 0.000 0.737 362 K HN 0.468 nan 8.250 nan 0.000 0.458 363 H N -0.511 118.504 119.070 -0.091 0.000 2.529 363 H HA 0.173 4.748 4.556 0.030 0.000 0.277 363 H C 1.542 176.830 175.328 -0.065 0.000 0.999 363 H CA 0.856 56.864 56.048 -0.067 0.000 1.256 363 H CB 0.300 30.026 29.762 -0.059 0.000 1.402 363 H HN 0.150 nan 8.280 nan 0.000 0.566 364 M N -0.712 118.891 119.600 0.006 0.000 2.449 364 M HA 0.098 4.597 4.480 0.031 0.000 0.262 364 M C 1.802 178.077 176.300 -0.043 0.000 1.152 364 M CA 0.494 55.784 55.300 -0.016 0.000 1.104 364 M CB 0.362 32.949 32.600 -0.021 0.000 1.416 364 M HN 0.211 nan 8.290 nan 0.000 0.519 365 S N -0.342 115.317 115.700 -0.069 0.000 2.503 365 S HA 0.032 4.521 4.470 0.031 0.000 0.217 365 S C 0.892 175.457 174.600 -0.060 0.000 0.999 365 S CA -0.028 58.130 58.200 -0.071 0.000 0.914 365 S CB -0.095 63.044 63.200 -0.101 0.000 0.782 365 S HN 0.534 nan 8.310 nan 0.000 0.520 366 Q N 0.372 120.137 119.800 -0.059 0.000 2.461 366 Q HA -0.146 4.213 4.340 0.031 0.000 0.273 366 Q C -0.838 175.135 176.000 -0.044 0.000 1.163 366 Q CA 0.725 56.501 55.803 -0.045 0.000 0.929 366 Q CB -1.831 26.888 28.738 -0.032 0.000 1.334 366 Q HN 0.633 nan 8.270 nan 0.000 0.499 367 L N -0.858 120.325 121.223 -0.067 0.000 2.327 367 L HA 0.650 5.008 4.340 0.031 0.000 0.258 367 L C -2.134 174.688 176.870 -0.080 0.000 1.024 367 L CA -2.576 52.227 54.840 -0.062 0.000 0.825 367 L CB 1.422 43.437 42.059 -0.073 0.000 1.386 367 L HN -0.195 nan 8.230 nan 0.000 0.417 368 P HA 0.138 nan 4.420 nan 0.000 0.269 368 P C -2.607 174.631 177.300 -0.103 0.000 1.215 368 P CA -1.163 61.906 63.100 -0.052 0.000 0.780 368 P CB -0.512 31.193 31.700 0.008 0.000 0.898 369 P HA 0.003 nan 4.420 nan 0.000 0.265 369 P C -0.090 177.125 177.300 -0.140 0.000 1.193 369 P CA 0.304 63.215 63.100 -0.316 0.000 0.765 369 P CB -0.188 31.342 31.700 -0.283 0.000 0.823 370 F N 0.827 120.761 119.950 -0.026 0.000 3.006 370 F HA -0.243 4.302 4.527 0.030 0.000 0.289 370 F C 1.244 177.043 175.800 -0.002 0.000 0.772 370 F CA 0.446 58.448 58.000 0.003 0.000 1.162 370 F CB -2.513 36.508 39.000 0.035 0.000 1.382 370 F HN 0.265 nan 8.300 nan 0.000 0.406 371 L N -2.549 118.682 121.223 0.014 0.000 4.089 371 L HA -0.233 4.125 4.340 0.031 0.000 0.408 371 L C -0.054 176.853 176.870 0.061 0.000 1.184 371 L CA 0.544 55.339 54.840 -0.075 0.000 0.947 371 L CB -1.763 40.061 42.059 -0.392 0.000 2.066 371 L HN 0.233 nan 8.230 nan 0.000 0.851 372 V N 0.033 120.037 119.914 0.150 0.000 2.841 372 V HA 0.491 4.630 4.120 0.031 0.000 0.310 372 V C 0.263 176.459 176.094 0.169 0.000 1.090 372 V CA -0.499 61.933 62.300 0.221 0.000 0.930 372 V CB 2.379 34.394 31.823 0.321 0.000 1.014 372 V HN 0.228 nan 8.190 nan 0.000 0.425 373 E N 3.850 124.153 120.200 0.172 0.000 2.349 373 E HA 0.328 4.697 4.350 0.031 0.000 0.262 373 E C -0.116 176.557 176.600 0.121 0.000 1.088 373 E CA -0.239 56.239 56.400 0.129 0.000 0.899 373 E CB 0.375 30.148 29.700 0.122 0.000 1.044 373 E HN 0.771 nan 8.360 nan 0.000 0.420 374 N N 0.449 119.205 118.700 0.093 0.000 2.780 374 N HA -0.153 4.606 4.740 0.031 0.000 0.247 374 N C 0.472 176.038 175.510 0.095 0.000 1.076 374 N CA 0.075 53.175 53.050 0.082 0.000 0.688 374 N CB -0.834 37.700 38.487 0.077 0.000 0.957 374 N HN 0.782 nan 8.380 nan 0.000 0.551 375 G N -0.621 108.240 108.800 0.102 0.000 2.956 375 G HA2 0.164 4.143 3.960 0.031 0.000 0.207 375 G HA3 0.164 4.143 3.960 0.031 0.000 0.207 375 G C 1.182 176.149 174.900 0.112 0.000 1.162 375 G CA 0.765 45.943 45.100 0.130 0.000 0.796 375 G HN 0.457 nan 8.290 nan 0.000 0.527 376 G N -0.898 107.950 108.800 0.080 0.000 3.159 376 G HA2 0.239 4.218 3.960 0.031 0.000 0.232 376 G HA3 0.239 4.218 3.960 0.031 0.000 0.232 376 G C 0.897 175.828 174.900 0.052 0.000 1.116 376 G CA 0.363 45.502 45.100 0.066 0.000 0.767 376 G HN 0.244 nan 8.290 nan 0.000 0.547 377 V N 0.199 120.147 119.914 0.058 0.000 3.612 377 V HA 0.250 4.388 4.120 0.031 0.000 0.268 377 V C 0.132 176.263 176.094 0.061 0.000 1.365 377 V CA 0.125 62.455 62.300 0.050 0.000 1.044 377 V CB 0.304 32.154 31.823 0.045 0.000 0.820 377 V HN 0.201 nan 8.190 nan 0.000 0.444 378 N N -0.677 118.075 118.700 0.086 0.000 2.269 378 N HA 0.336 5.095 4.740 0.031 0.000 0.304 378 N C 0.256 175.832 175.510 0.110 0.000 1.072 378 N CA -0.114 53.007 53.050 0.118 0.000 0.802 378 N CB 2.187 40.777 38.487 0.171 0.000 1.348 378 N HN -0.079 nan 8.380 nan 0.000 0.484 379 S N 0.252 116.005 115.700 0.088 0.000 2.503 379 S HA 0.175 4.663 4.470 0.031 0.000 0.215 379 S C 1.305 175.911 174.600 0.010 0.000 1.003 379 S CA 0.302 58.483 58.200 -0.031 0.000 0.910 379 S CB 0.100 63.243 63.200 -0.095 0.000 0.790 379 S HN 0.939 nan 8.310 nan 0.000 0.514 380 G N 2.005 110.909 108.800 0.173 0.000 2.611 380 G HA2 -0.326 3.652 3.960 0.031 0.000 0.301 380 G HA3 -0.326 3.652 3.960 0.031 0.000 0.301 380 G C 0.269 175.139 174.900 -0.050 0.000 1.233 380 G CA 0.562 45.734 45.100 0.120 0.000 0.993 380 G HN 0.387 nan 8.290 nan 0.000 0.553 381 F N 1.407 121.269 119.950 -0.148 0.000 2.773 381 F HA 0.369 4.914 4.527 0.030 0.000 0.304 381 F C 2.564 178.216 175.800 -0.248 0.000 1.129 381 F CA 1.137 58.989 58.000 -0.247 0.000 1.378 381 F CB -0.126 38.828 39.000 -0.076 0.000 1.095 381 F HN 0.416 nan 8.300 nan 0.000 0.565 382 M N -0.219 119.288 119.600 -0.156 0.000 2.082 382 M HA -0.253 4.245 4.480 0.031 0.000 0.258 382 M C 1.595 177.739 176.300 -0.260 0.000 1.069 382 M CA 2.010 57.094 55.300 -0.360 0.000 1.102 382 M CB -0.081 32.007 32.600 -0.853 0.000 1.336 382 M HN 0.029 nan 8.290 nan 0.000 0.404 383 I N 0.302 120.675 120.570 -0.329 0.000 2.852 383 I HA -0.003 4.186 4.170 0.031 0.000 0.264 383 I C 2.708 178.627 176.117 -0.331 0.000 1.179 383 I CA 1.009 62.143 61.300 -0.276 0.000 1.480 383 I CB -2.015 35.846 38.000 -0.230 0.000 1.111 383 I HN 0.324 nan 8.210 nan 0.000 0.441 384 A N 0.635 123.099 122.820 -0.593 0.000 1.940 384 A HA -0.277 4.062 4.320 0.031 0.000 0.219 384 A C 2.344 179.821 177.584 -0.179 0.000 1.176 384 A CA 1.926 53.657 52.037 -0.510 0.000 0.631 384 A CB -0.741 17.716 19.000 -0.905 0.000 0.814 384 A HN 0.525 nan 8.150 nan 0.000 0.446 385 Q N -0.187 119.559 119.800 -0.089 0.000 2.124 385 Q HA -0.131 4.227 4.340 0.031 0.000 0.202 385 Q C 1.934 177.929 176.000 -0.008 0.000 0.977 385 Q CA 1.917 57.727 55.803 0.012 0.000 0.850 385 Q CB -0.213 28.575 28.738 0.084 0.000 0.901 385 Q HN 0.441 nan 8.270 nan 0.000 0.429 386 V N 0.551 120.439 119.914 -0.044 0.000 2.343 386 V HA -0.253 3.885 4.120 0.031 0.000 0.247 386 V C 2.278 178.354 176.094 -0.030 0.000 1.051 386 V CA 2.148 64.428 62.300 -0.034 0.000 1.036 386 V CB -0.933 30.858 31.823 -0.054 0.000 0.654 386 V HN 0.448 nan 8.190 nan 0.000 0.451 387 T N 0.458 114.981 114.554 -0.052 0.000 2.720 387 T HA -0.189 4.180 4.350 0.031 0.000 0.268 387 T C 2.079 176.777 174.700 -0.003 0.000 1.037 387 T CA 1.709 63.790 62.100 -0.030 0.000 1.144 387 T CB -0.442 68.397 68.868 -0.047 0.000 0.864 387 T HN 0.585 nan 8.240 nan 0.000 0.444 388 A N 1.406 124.229 122.820 0.004 0.000 1.902 388 A HA 0.108 4.446 4.320 0.031 0.000 0.217 388 A C 2.647 180.247 177.584 0.028 0.000 1.181 388 A CA 1.917 53.971 52.037 0.028 0.000 0.623 388 A CB -1.114 17.912 19.000 0.045 0.000 0.818 388 A HN 0.515 nan 8.150 nan 0.000 0.443 389 A N -0.100 122.732 122.820 0.021 0.000 1.902 389 A HA 0.125 4.463 4.320 0.031 0.000 0.217 389 A C 2.527 180.123 177.584 0.020 0.000 1.181 389 A CA 2.232 54.283 52.037 0.022 0.000 0.623 389 A CB -1.077 17.934 19.000 0.019 0.000 0.818 389 A HN 1.093 nan 8.150 nan 0.000 0.443 390 A N -0.231 122.597 122.820 0.014 0.000 1.877 390 A HA -0.067 4.271 4.320 0.031 0.000 0.216 390 A C 2.191 179.788 177.584 0.021 0.000 1.186 390 A CA 1.576 53.621 52.037 0.014 0.000 0.620 390 A CB -0.635 18.370 19.000 0.009 0.000 0.822 390 A HN 0.485 nan 8.150 nan 0.000 0.443 391 L N -0.932 120.305 121.223 0.024 0.000 2.056 391 L HA -0.175 4.183 4.340 0.031 0.000 0.207 391 L C 3.109 180.000 176.870 0.036 0.000 1.078 391 L CA 1.076 55.934 54.840 0.031 0.000 0.749 391 L CB -0.633 41.447 42.059 0.034 0.000 0.901 391 L HN 0.439 nan 8.230 nan 0.000 0.433 392 A N -0.752 122.089 122.820 0.036 0.000 1.902 392 A HA -0.231 4.107 4.320 0.031 0.000 0.217 392 A C 2.555 180.161 177.584 0.037 0.000 1.181 392 A CA 2.017 54.078 52.037 0.040 0.000 0.623 392 A CB -0.687 18.337 19.000 0.040 0.000 0.818 392 A HN 0.371 nan 8.150 nan 0.000 0.443 393 S N -0.409 115.310 115.700 0.031 0.000 2.368 393 S HA -0.201 4.288 4.470 0.031 0.000 0.225 393 S C 1.857 176.475 174.600 0.030 0.000 1.030 393 S CA 1.612 59.829 58.200 0.029 0.000 0.999 393 S CB -0.442 62.772 63.200 0.023 0.000 0.844 393 S HN 0.643 nan 8.310 nan 0.000 0.459 394 E N 0.754 120.972 120.200 0.031 0.000 2.160 394 E HA -0.145 4.223 4.350 0.031 0.000 0.195 394 E C 1.693 178.316 176.600 0.039 0.000 0.991 394 E CA 1.096 57.515 56.400 0.032 0.000 0.810 394 E CB -0.288 29.432 29.700 0.033 0.000 0.742 394 E HN 0.495 nan 8.360 nan 0.000 0.466 395 N N 0.909 119.634 118.700 0.043 0.000 2.381 395 N HA -0.106 4.652 4.740 0.031 0.000 0.182 395 N C 1.353 176.892 175.510 0.049 0.000 1.025 395 N CA 0.763 53.842 53.050 0.049 0.000 0.888 395 N CB 0.015 38.534 38.487 0.053 0.000 0.965 395 N HN 0.216 nan 8.380 nan 0.000 0.438 396 K N 0.679 121.105 120.400 0.043 0.000 2.001 396 K HA 0.013 4.352 4.320 0.031 0.000 0.208 396 K C 2.040 178.670 176.600 0.050 0.000 1.048 396 K CA 1.311 57.625 56.287 0.044 0.000 0.932 396 K CB -0.162 32.361 32.500 0.037 0.000 0.715 396 K HN 0.093 nan 8.250 nan 0.000 0.437 397 A N 1.594 124.440 122.820 0.043 0.000 1.902 397 A HA -0.108 4.230 4.320 0.031 0.000 0.217 397 A C 2.126 179.749 177.584 0.064 0.000 1.181 397 A CA 1.214 53.277 52.037 0.043 0.000 0.623 397 A CB -0.669 18.344 19.000 0.021 0.000 0.818 397 A HN 0.172 nan 8.150 nan 0.000 0.443 398 L N -0.070 121.189 121.223 0.061 0.000 2.362 398 L HA -0.107 4.252 4.340 0.031 0.000 0.219 398 L C 2.267 179.186 176.870 0.082 0.000 1.134 398 L CA 0.984 55.869 54.840 0.074 0.000 0.807 398 L CB -0.191 41.907 42.059 0.065 0.000 0.927 398 L HN 0.276 nan 8.230 nan 0.000 0.447 399 S N -2.397 113.344 115.700 0.069 0.000 2.561 399 S HA -0.101 4.388 4.470 0.031 0.000 0.225 399 S C 0.664 175.280 174.600 0.026 0.000 0.977 399 S CA -0.003 58.227 58.200 0.050 0.000 0.926 399 S CB -0.540 62.684 63.200 0.040 0.000 0.769 399 S HN 0.425 nan 8.310 nan 0.000 0.533 400 H N 3.406 122.455 119.070 -0.036 0.000 3.034 400 H HA 0.129 4.662 4.556 -0.039 0.000 0.324 400 H C -2.470 172.781 175.328 -0.129 0.000 1.015 400 H CA -1.164 54.836 56.048 -0.082 0.000 1.429 400 H CB 0.477 30.169 29.762 -0.115 0.000 1.429 400 H HN 0.056 nan 8.280 nan 0.000 0.585 401 P HA 0.046 nan 4.420 nan 0.000 0.275 401 P C 0.005 177.144 177.300 -0.269 0.000 1.227 401 P CA 0.005 62.924 63.100 -0.301 0.000 0.781 401 P CB 0.991 32.531 31.700 -0.267 0.000 0.906 402 H N 0.577 119.625 119.070 -0.036 0.000 2.547 402 H HA -0.015 4.585 4.556 0.074 0.000 0.272 402 H C 1.798 177.121 175.328 -0.008 0.000 0.971 402 H CA 1.263 57.311 56.048 -0.000 0.000 1.245 402 H CB 0.068 29.827 29.762 -0.006 0.000 1.440 402 H HN 0.487 nan 8.280 nan 0.000 0.540 403 S N 1.231 116.983 115.700 0.087 0.000 2.507 403 S HA -0.080 4.409 4.470 0.031 0.000 0.235 403 S C 1.967 176.604 174.600 0.060 0.000 0.988 403 S CA 0.881 59.122 58.200 0.069 0.000 0.944 403 S CB -0.902 62.331 63.200 0.055 0.000 0.762 403 S HN 0.269 nan 8.310 nan 0.000 0.526 404 V N -1.746 118.184 119.914 0.027 0.000 3.649 404 V HA 0.331 4.470 4.120 0.031 0.000 0.275 404 V C 0.181 176.303 176.094 0.047 0.000 1.281 404 V CA 0.139 62.460 62.300 0.035 0.000 1.143 404 V CB -0.730 31.090 31.823 -0.005 0.000 0.892 404 V HN 0.256 nan 8.190 nan 0.000 0.441 405 D N 0.259 120.683 120.400 0.039 0.000 2.217 405 D HA 0.687 5.346 4.640 0.031 0.000 0.248 405 D C -0.547 175.737 176.300 -0.027 0.000 1.008 405 D CA 0.099 54.115 54.000 0.025 0.000 0.914 405 D CB 2.136 42.960 40.800 0.041 0.000 1.182 405 D HN 0.330 nan 8.370 nan 0.000 0.451 406 S N 1.300 116.972 115.700 -0.047 0.000 2.552 406 S HA 0.604 5.093 4.470 0.031 0.000 0.272 406 S C -2.002 172.564 174.600 -0.058 0.000 1.150 406 S CA -0.723 57.404 58.200 -0.121 0.000 0.849 406 S CB 0.389 63.405 63.200 -0.307 0.000 1.113 406 S HN 0.386 nan 8.310 nan 0.000 0.458 407 L N 3.586 124.773 121.223 -0.060 0.000 2.381 407 L HA 0.620 4.979 4.340 0.031 0.000 0.268 407 L C -2.353 174.502 176.870 -0.026 0.000 0.997 407 L CA -2.148 52.675 54.840 -0.029 0.000 0.818 407 L CB 2.633 44.679 42.059 -0.023 0.000 1.310 407 L HN 0.496 nan 8.230 nan 0.000 0.416 408 P HA 0.195 nan 4.420 nan 0.000 0.282 408 P C -0.735 176.562 177.300 -0.005 0.000 1.262 408 P CA -0.300 62.804 63.100 0.008 0.000 0.773 408 P CB 1.046 32.761 31.700 0.024 0.000 0.879 409 T N -1.273 113.274 114.554 -0.013 0.000 2.945 409 T HA 0.472 4.840 4.350 0.031 0.000 0.286 409 T C -0.369 174.318 174.700 -0.021 0.000 1.025 409 T CA -0.715 61.368 62.100 -0.027 0.000 1.039 409 T CB 0.089 68.928 68.868 -0.048 0.000 1.068 409 T HN 0.347 nan 8.240 nan 0.000 0.497 410 S N 0.318 116.001 115.700 -0.028 0.000 3.583 410 S HA 0.017 4.505 4.470 0.031 0.000 0.398 410 S C 0.867 175.466 174.600 -0.002 0.000 0.769 410 S CA -0.111 58.076 58.200 -0.021 0.000 1.331 410 S CB -2.236 60.943 63.200 -0.034 0.000 1.457 410 S HN 2.399 nan 8.310 nan 0.000 0.608 411 A N 3.097 125.918 122.820 0.001 0.000 1.837 411 A HA -0.285 4.054 4.320 0.031 0.000 0.245 411 A C 1.385 178.979 177.584 0.016 0.000 1.223 411 A CA 1.205 53.248 52.037 0.010 0.000 0.759 411 A CB -1.566 17.442 19.000 0.013 0.000 1.147 411 A HN 1.324 nan 8.150 nan 0.000 0.305 412 N N -1.554 117.157 118.700 0.017 0.000 2.629 412 N HA -0.380 4.379 4.740 0.031 0.000 0.246 412 N C 1.112 176.644 175.510 0.036 0.000 1.176 412 N CA 1.513 54.579 53.050 0.027 0.000 0.809 412 N CB -0.260 38.243 38.487 0.027 0.000 1.175 412 N HN 0.891 nan 8.380 nan 0.000 0.577 413 Q N 1.362 121.182 119.800 0.033 0.000 2.119 413 Q HA -0.020 4.338 4.340 0.031 0.000 0.201 413 Q C 0.082 176.121 176.000 0.065 0.000 0.972 413 Q CA 1.525 57.355 55.803 0.046 0.000 0.847 413 Q CB 0.038 28.799 28.738 0.039 0.000 0.903 413 Q HN 0.458 nan 8.270 nan 0.000 0.433 414 E N 1.408 121.636 120.200 0.047 0.000 1.979 414 E HA 0.009 4.378 4.350 0.031 0.000 0.285 414 E C -0.300 176.338 176.600 0.063 0.000 1.188 414 E CA 0.230 56.661 56.400 0.052 0.000 1.214 414 E CB 0.089 29.787 29.700 -0.004 0.000 1.210 414 E HN 0.362 nan 8.360 nan 0.000 0.477 415 D N 0.030 120.494 120.400 0.106 0.000 2.360 415 D HA -0.084 4.575 4.640 0.031 0.000 0.210 415 D C 0.170 176.573 176.300 0.171 0.000 1.047 415 D CA 0.188 54.253 54.000 0.108 0.000 0.854 415 D CB 0.300 41.157 40.800 0.095 0.000 0.936 415 D HN 0.279 nan 8.370 nan 0.000 0.514 416 H N 0.015 119.151 119.070 0.110 0.000 3.042 416 H HA 0.431 5.005 4.556 0.030 0.000 0.345 416 H C -1.370 174.077 175.328 0.199 0.000 1.052 416 H CA -0.652 55.487 56.048 0.151 0.000 1.311 416 H CB 2.114 31.975 29.762 0.165 0.000 1.810 416 H HN -0.068 nan 8.280 nan 0.000 0.505 417 V N 2.187 121.894 119.914 -0.345 0.000 3.155 417 V HA 0.559 4.697 4.120 0.031 0.000 0.313 417 V C 0.790 176.673 176.094 -0.352 0.000 1.162 417 V CA 0.020 62.118 62.300 -0.337 0.000 1.048 417 V CB 1.530 33.221 31.823 -0.220 0.000 1.092 417 V HN 0.768 nan 8.190 nan 0.000 0.447 418 S N -0.131 115.393 115.700 -0.294 0.000 2.475 418 S HA 0.105 4.593 4.470 0.031 0.000 0.224 418 S C 1.134 175.717 174.600 -0.028 0.000 1.042 418 S CA 0.783 58.959 58.200 -0.039 0.000 0.935 418 S CB -0.302 62.903 63.200 0.008 0.000 0.801 418 S HN 1.250 nan 8.310 nan 0.000 0.509 419 M N 0.318 119.877 119.600 -0.069 0.000 2.751 419 M HA -0.207 4.292 4.480 0.031 0.000 0.199 419 M C 1.200 177.476 176.300 -0.040 0.000 0.550 419 M CA 0.786 56.064 55.300 -0.037 0.000 0.640 419 M CB -2.848 29.766 32.600 0.024 0.000 2.351 419 M HN 0.592 nan 8.290 nan 0.000 0.613 420 A N -0.433 122.358 122.820 -0.049 0.000 1.902 420 A HA -0.055 4.283 4.320 0.031 0.000 0.217 420 A C -0.204 177.329 177.584 -0.085 0.000 1.181 420 A CA 1.972 53.980 52.037 -0.049 0.000 0.623 420 A CB -1.162 17.813 19.000 -0.041 0.000 0.818 420 A HN 0.447 nan 8.150 nan 0.000 0.443 421 P HA -0.148 nan 4.420 nan 0.000 0.215 421 P C 1.801 179.063 177.300 -0.063 0.000 1.157 421 P CA 2.063 65.107 63.100 -0.094 0.000 0.868 421 P CB -0.147 31.472 31.700 -0.134 0.000 0.788 422 A N -0.120 122.582 122.820 -0.195 0.000 1.933 422 A HA -0.139 4.200 4.320 0.031 0.000 0.218 422 A C 2.323 179.556 177.584 -0.585 0.000 1.175 422 A CA 2.171 53.943 52.037 -0.442 0.000 0.628 422 A CB -1.641 16.999 19.000 -0.600 0.000 0.814 422 A HN 0.191 nan 8.150 nan 0.000 0.444 423 A N -0.499 122.104 122.820 -0.362 0.000 1.883 423 A HA 0.093 4.431 4.320 0.031 0.000 0.217 423 A C 2.414 179.914 177.584 -0.139 0.000 1.186 423 A CA 2.046 53.991 52.037 -0.153 0.000 0.624 423 A CB -1.366 17.633 19.000 -0.002 0.000 0.822 423 A HN 0.716 nan 8.150 nan 0.000 0.444 424 G N -0.384 108.344 108.800 -0.119 0.000 2.394 424 G HA2 -0.217 3.762 3.960 0.031 0.000 0.215 424 G HA3 -0.217 3.762 3.960 0.031 0.000 0.215 424 G C 1.658 176.305 174.900 -0.422 0.000 1.165 424 G CA 1.125 46.166 45.100 -0.098 0.000 0.784 424 G HN 0.507 nan 8.290 nan 0.000 0.535 425 K N 1.785 121.790 120.400 -0.658 0.000 2.097 425 K HA -0.179 4.160 4.320 0.031 0.000 0.206 425 K C 2.581 178.528 176.600 -1.088 0.000 1.049 425 K CA 1.607 56.952 56.287 -1.570 0.000 0.933 425 K CB -0.169 31.705 32.500 -1.045 0.000 0.717 425 K HN 0.334 nan 8.250 nan 0.000 0.442 426 R N 1.014 121.199 120.500 -0.524 0.000 2.237 426 R HA -0.013 4.346 4.340 0.031 0.000 0.219 426 R C 2.282 178.501 176.300 -0.135 0.000 1.080 426 R CA 1.028 56.980 56.100 -0.247 0.000 0.995 426 R CB -1.182 29.070 30.300 -0.080 0.000 0.875 426 R HN 0.227 nan 8.270 nan 0.000 0.462 427 L N -0.663 120.466 121.223 -0.156 0.000 2.191 427 L HA -0.083 4.276 4.340 0.031 0.000 0.212 427 L C 1.763 178.794 176.870 0.268 0.000 1.103 427 L CA 0.842 55.720 54.840 0.064 0.000 0.769 427 L CB -0.534 41.586 42.059 0.102 0.000 0.908 427 L HN 0.217 nan 8.230 nan 0.000 0.438 428 W N 0.512 121.892 121.300 0.134 0.000 2.358 428 W HA -0.158 4.528 4.660 0.042 0.000 0.303 428 W C 2.514 179.102 176.519 0.115 0.000 1.208 428 W CA 0.918 58.402 57.345 0.232 0.000 1.274 428 W CB -0.957 28.618 29.460 0.192 0.000 1.138 428 W HN 0.285 nan 8.180 nan 0.000 0.515 429 E N -0.003 120.346 120.200 0.249 0.000 2.107 429 E HA -0.154 4.215 4.350 0.031 0.000 0.191 429 E C 2.189 178.855 176.600 0.109 0.000 0.982 429 E CA 1.189 57.674 56.400 0.142 0.000 0.809 429 E CB -0.289 29.462 29.700 0.084 0.000 0.756 429 E HN 0.093 nan 8.360 nan 0.000 0.459 430 M N 0.359 120.025 119.600 0.109 0.000 2.108 430 M HA -0.195 4.303 4.480 0.031 0.000 0.261 430 M C 2.461 178.822 176.300 0.101 0.000 1.066 430 M CA 1.679 57.036 55.300 0.096 0.000 1.107 430 M CB -0.268 32.388 32.600 0.093 0.000 1.356 430 M HN 0.224 nan 8.290 nan 0.000 0.406 431 A N 0.136 123.040 122.820 0.139 0.000 1.930 431 A HA -0.164 4.174 4.320 0.031 0.000 0.217 431 A C 1.912 179.502 177.584 0.010 0.000 1.175 431 A CA 1.625 53.720 52.037 0.096 0.000 0.627 431 A CB -0.649 18.444 19.000 0.154 0.000 0.815 431 A HN 0.539 nan 8.150 nan 0.000 0.443 432 E N 0.010 120.216 120.200 0.010 0.000 2.077 432 E HA -0.192 4.176 4.350 0.031 0.000 0.193 432 E C 1.739 178.351 176.600 0.019 0.000 0.989 432 E CA 1.163 57.558 56.400 -0.007 0.000 0.800 432 E CB -0.202 29.508 29.700 0.016 0.000 0.746 432 E HN 0.556 nan 8.360 nan 0.000 0.452 433 N N 0.226 118.949 118.700 0.039 0.000 2.058 433 N HA -0.106 4.652 4.740 0.031 0.000 0.191 433 N C 1.916 177.453 175.510 0.044 0.000 1.037 433 N CA 1.465 54.541 53.050 0.042 0.000 0.848 433 N CB -0.702 37.813 38.487 0.048 0.000 1.021 433 N HN 0.066 nan 8.380 nan 0.000 0.422 434 T N 1.001 115.584 114.554 0.048 0.000 2.833 434 T HA -0.077 4.292 4.350 0.031 0.000 0.269 434 T C 1.938 176.663 174.700 0.043 0.000 1.054 434 T CA 0.711 62.841 62.100 0.050 0.000 1.135 434 T CB 0.085 68.989 68.868 0.061 0.000 0.869 434 T HN 0.246 nan 8.240 nan 0.000 0.466 435 R N 0.385 120.902 120.500 0.028 0.000 2.096 435 R HA -0.074 4.285 4.340 0.031 0.000 0.235 435 R C 2.674 179.005 176.300 0.050 0.000 1.127 435 R CA 1.485 57.599 56.100 0.023 0.000 0.968 435 R CB -0.591 29.702 30.300 -0.013 0.000 0.861 435 R HN 0.448 nan 8.270 nan 0.000 0.440 436 G N -0.132 108.696 108.800 0.047 0.000 2.402 436 G HA2 -0.186 3.793 3.960 0.031 0.000 0.216 436 G HA3 -0.186 3.793 3.960 0.031 0.000 0.216 436 G C 1.402 176.348 174.900 0.076 0.000 1.162 436 G CA 0.744 45.880 45.100 0.060 0.000 0.777 436 G HN 0.199 nan 8.290 nan 0.000 0.539 437 V N 1.016 120.971 119.914 0.067 0.000 2.287 437 V HA -0.161 3.977 4.120 0.031 0.000 0.248 437 V C 2.911 179.063 176.094 0.097 0.000 1.053 437 V CA 1.584 63.929 62.300 0.075 0.000 1.027 437 V CB -0.507 31.354 31.823 0.062 0.000 0.646 437 V HN 0.336 nan 8.190 nan 0.000 0.447 438 L N -0.056 121.219 121.223 0.087 0.000 2.083 438 L HA -0.144 4.215 4.340 0.031 0.000 0.209 438 L C 2.710 179.689 176.870 0.181 0.000 1.083 438 L CA 1.369 56.266 54.840 0.095 0.000 0.752 438 L CB -0.758 41.323 42.059 0.037 0.000 0.899 438 L HN 0.367 nan 8.230 nan 0.000 0.433 439 A N 0.447 123.388 122.820 0.200 0.000 1.908 439 A HA -0.200 4.138 4.320 0.031 0.000 0.218 439 A C 2.192 179.948 177.584 0.285 0.000 1.181 439 A CA 1.656 53.872 52.037 0.298 0.000 0.627 439 A CB -0.656 18.469 19.000 0.209 0.000 0.818 439 A HN 0.365 nan 8.150 nan 0.000 0.445 440 I N -0.741 119.958 120.570 0.215 0.000 2.252 440 I HA -0.237 3.951 4.170 0.031 0.000 0.245 440 I C 2.545 178.822 176.117 0.267 0.000 1.102 440 I CA 1.659 63.100 61.300 0.234 0.000 1.385 440 I CB -0.307 37.790 38.000 0.160 0.000 1.064 440 I HN 0.518 nan 8.210 nan 0.000 0.414 441 E N 0.500 120.831 120.200 0.218 0.000 2.077 441 E HA -0.287 4.082 4.350 0.031 0.000 0.193 441 E C 2.129 178.890 176.600 0.269 0.000 0.989 441 E CA 1.465 57.981 56.400 0.194 0.000 0.800 441 E CB -0.185 29.599 29.700 0.140 0.000 0.746 441 E HN 0.499 nan 8.360 nan 0.000 0.452 442 W N 1.525 122.871 121.300 0.077 0.000 2.333 442 W HA -0.197 4.481 4.660 0.030 0.000 0.316 442 W C 1.932 178.509 176.519 0.096 0.000 1.215 442 W CA 1.382 58.767 57.345 0.068 0.000 1.278 442 W CB -0.891 28.603 29.460 0.056 0.000 1.154 442 W HN 0.107 nan 8.180 nan 0.000 0.486 443 L N 0.127 121.495 121.223 0.241 0.000 2.012 443 L HA -0.167 4.191 4.340 0.031 0.000 0.210 443 L C 2.708 179.718 176.870 0.233 0.000 1.073 443 L CA 1.825 56.784 54.840 0.199 0.000 0.748 443 L CB -1.521 40.742 42.059 0.341 0.000 0.891 443 L HN 0.144 nan 8.230 nan 0.000 0.431 444 G N -0.868 108.047 108.800 0.192 0.000 2.404 444 G HA2 -0.214 3.764 3.960 0.031 0.000 0.215 444 G HA3 -0.214 3.764 3.960 0.031 0.000 0.215 444 G C 1.730 176.531 174.900 -0.165 0.000 1.174 444 G CA 0.745 45.690 45.100 -0.259 0.000 0.780 444 G HN 0.474 nan 8.290 nan 0.000 0.537 445 A N -0.193 122.634 122.820 0.011 0.000 1.930 445 A HA -0.011 4.328 4.320 0.031 0.000 0.217 445 A C 2.538 180.152 177.584 0.051 0.000 1.175 445 A CA 1.678 53.737 52.037 0.037 0.000 0.627 445 A CB -0.838 18.226 19.000 0.106 0.000 0.815 445 A HN 0.417 nan 8.150 nan 0.000 0.443 446 C N -1.258 118.089 119.300 0.079 0.000 2.440 446 C HA -0.059 4.419 4.460 0.031 0.000 0.278 446 C C 2.809 177.832 174.990 0.056 0.000 1.295 446 C CA 1.302 60.362 59.018 0.069 0.000 1.738 446 C CB -0.970 26.787 27.740 0.028 0.000 1.987 446 C HN 0.776 nan 8.230 nan 0.000 0.492 447 Q N 1.538 121.341 119.800 0.006 0.000 2.061 447 Q HA -0.061 4.298 4.340 0.031 0.000 0.204 447 Q C 2.205 178.207 176.000 0.003 0.000 0.984 447 Q CA 2.469 58.264 55.803 -0.013 0.000 0.846 447 Q CB -0.811 27.803 28.738 -0.205 0.000 0.902 447 Q HN 0.554 nan 8.270 nan 0.000 0.421 448 G N 0.310 109.066 108.800 -0.074 0.000 2.418 448 G HA2 -0.203 3.775 3.960 0.031 0.000 0.217 448 G HA3 -0.203 3.775 3.960 0.031 0.000 0.217 448 G C 1.378 176.290 174.900 0.021 0.000 1.158 448 G CA 0.871 45.947 45.100 -0.041 0.000 0.771 448 G HN 0.380 nan 8.290 nan 0.000 0.545 449 L N 0.470 121.715 121.223 0.036 0.000 2.083 449 L HA -0.061 4.298 4.340 0.031 0.000 0.209 449 L C 2.468 179.373 176.870 0.059 0.000 1.083 449 L CA 1.025 55.895 54.840 0.050 0.000 0.752 449 L CB -0.311 41.783 42.059 0.058 0.000 0.899 449 L HN 0.088 nan 8.230 nan 0.000 0.433 450 D N 0.187 120.641 120.400 0.090 0.000 2.149 450 D HA -0.167 4.492 4.640 0.031 0.000 0.198 450 D C 2.215 178.550 176.300 0.059 0.000 0.990 450 D CA 1.224 55.276 54.000 0.086 0.000 0.839 450 D CB -0.150 40.783 40.800 0.222 0.000 0.948 450 D HN 0.302 nan 8.370 nan 0.000 0.460 451 L N 0.080 121.367 121.223 0.108 0.000 2.551 451 L HA -0.003 4.356 4.340 0.031 0.000 0.228 451 L C 0.784 177.678 176.870 0.040 0.000 1.153 451 L CA 0.463 55.352 54.840 0.081 0.000 0.851 451 L CB -0.064 42.050 42.059 0.091 0.000 0.959 451 L HN -0.210 nan 8.230 nan 0.000 0.451 452 R N 1.362 121.882 120.500 0.034 0.000 2.825 452 R HA 0.147 4.506 4.340 0.031 0.000 0.261 452 R C -0.338 175.971 176.300 0.015 0.000 1.341 452 R CA -0.620 55.496 56.100 0.027 0.000 1.353 452 R CB 0.261 30.582 30.300 0.035 0.000 1.191 452 R HN -0.091 nan 8.270 nan 0.000 0.590 453 K N 0.835 121.238 120.400 0.005 0.000 2.472 453 K HA -0.008 4.331 4.320 0.031 0.000 0.280 453 K C 1.305 177.900 176.600 -0.008 0.000 1.028 453 K CA 0.572 56.852 56.287 -0.011 0.000 1.045 453 K CB 0.375 32.866 32.500 -0.014 0.000 0.902 453 K HN 0.839 nan 8.250 nan 0.000 0.478 454 G N 2.008 110.800 108.800 -0.014 0.000 2.189 454 G HA2 -0.281 3.698 3.960 0.031 0.000 0.267 454 G HA3 -0.281 3.698 3.960 0.031 0.000 0.267 454 G C 0.063 174.961 174.900 -0.003 0.000 0.975 454 G CA 0.230 45.324 45.100 -0.010 0.000 0.644 454 G HN 0.450 nan 8.290 nan 0.000 0.537 455 L N -0.184 121.041 121.223 0.003 0.000 2.357 455 L HA 0.581 4.940 4.340 0.031 0.000 0.273 455 L C 0.601 177.477 176.870 0.011 0.000 1.080 455 L CA -0.702 54.142 54.840 0.006 0.000 0.803 455 L CB 1.310 43.375 42.059 0.010 0.000 1.174 455 L HN 0.002 nan 8.230 nan 0.000 0.443 456 K N 0.758 121.163 120.400 0.008 0.000 2.156 456 K HA 0.434 4.773 4.320 0.031 0.000 0.254 456 K C -0.104 176.505 176.600 0.015 0.000 0.950 456 K CA -0.584 55.712 56.287 0.014 0.000 0.849 456 K CB 2.299 34.805 32.500 0.010 0.000 1.100 456 K HN 0.552 nan 8.250 nan 0.000 0.434 457 T N -0.102 114.467 114.554 0.025 0.000 2.994 457 T HA 0.160 4.528 4.350 0.031 0.000 0.322 457 T C 0.508 175.219 174.700 0.017 0.000 1.199 457 T CA -0.426 61.689 62.100 0.026 0.000 0.945 457 T CB 0.385 69.277 68.868 0.039 0.000 1.754 457 T HN 0.689 nan 8.240 nan 0.000 0.571 458 S N 0.096 115.805 115.700 0.015 0.000 2.617 458 S HA 0.513 5.002 4.470 0.031 0.000 0.259 458 S C 1.657 176.263 174.600 0.009 0.000 1.301 458 S CA -0.212 57.993 58.200 0.008 0.000 0.984 458 S CB 0.240 63.441 63.200 0.001 0.000 0.954 458 S HN 0.919 nan 8.310 nan 0.000 0.572 459 A N 1.132 123.955 122.820 0.004 0.000 1.877 459 A HA -0.077 4.262 4.320 0.031 0.000 0.216 459 A C 2.201 179.788 177.584 0.006 0.000 1.186 459 A CA 1.580 53.620 52.037 0.005 0.000 0.620 459 A CB -0.915 18.086 19.000 0.002 0.000 0.822 459 A HN 0.881 nan 8.150 nan 0.000 0.443 460 K N -0.529 119.868 120.400 -0.004 0.000 2.155 460 K HA 0.088 4.427 4.320 0.031 0.000 0.203 460 K C 1.785 178.385 176.600 -0.001 0.000 1.052 460 K CA 0.982 57.263 56.287 -0.009 0.000 0.948 460 K CB -0.267 32.215 32.500 -0.031 0.000 0.728 460 K HN 0.460 nan 8.250 nan 0.000 0.448 461 L N 0.897 122.123 121.223 0.005 0.000 2.156 461 L HA -0.113 4.246 4.340 0.031 0.000 0.208 461 L C 2.213 179.117 176.870 0.057 0.000 1.095 461 L CA 0.754 55.609 54.840 0.025 0.000 0.770 461 L CB -0.252 41.821 42.059 0.023 0.000 0.914 461 L HN 0.131 nan 8.230 nan 0.000 0.439 462 E N 0.776 121.003 120.200 0.045 0.000 2.110 462 E HA -0.193 4.175 4.350 0.031 0.000 0.193 462 E C 2.097 178.736 176.600 0.065 0.000 0.988 462 E CA 1.037 57.469 56.400 0.053 0.000 0.804 462 E CB -0.031 29.691 29.700 0.035 0.000 0.745 462 E HN 0.469 nan 8.360 nan 0.000 0.458 463 K N 0.546 120.978 120.400 0.053 0.000 2.103 463 K HA -0.099 4.240 4.320 0.031 0.000 0.207 463 K C 2.152 178.819 176.600 0.111 0.000 1.048 463 K CA 1.185 57.510 56.287 0.062 0.000 0.930 463 K CB -0.137 32.385 32.500 0.037 0.000 0.716 463 K HN 0.036 nan 8.250 nan 0.000 0.444 464 A N 1.674 124.569 122.820 0.125 0.000 1.902 464 A HA -0.179 4.159 4.320 0.031 0.000 0.217 464 A C 2.060 179.896 177.584 0.420 0.000 1.181 464 A CA 1.294 53.479 52.037 0.247 0.000 0.623 464 A CB -0.360 18.714 19.000 0.124 0.000 0.818 464 A HN 0.216 nan 8.150 nan 0.000 0.443 465 R N -0.924 119.728 120.500 0.254 0.000 2.073 465 R HA -0.169 4.190 4.340 0.031 0.000 0.234 465 R C 2.551 178.915 176.300 0.107 0.000 1.134 465 R CA 1.646 57.851 56.100 0.175 0.000 0.952 465 R CB -0.362 30.005 30.300 0.110 0.000 0.850 465 R HN 0.768 nan 8.270 nan 0.000 0.433 466 Q N 0.456 120.317 119.800 0.101 0.000 2.124 466 Q HA -0.143 4.216 4.340 0.031 0.000 0.202 466 Q C 2.045 178.087 176.000 0.070 0.000 0.977 466 Q CA 1.599 57.440 55.803 0.063 0.000 0.850 466 Q CB -0.056 28.716 28.738 0.056 0.000 0.901 466 Q HN 0.383 nan 8.270 nan 0.000 0.429 467 A N 0.586 123.493 122.820 0.145 0.000 1.902 467 A HA -0.184 4.154 4.320 0.031 0.000 0.217 467 A C 1.950 179.574 177.584 0.068 0.000 1.181 467 A CA 1.383 53.523 52.037 0.173 0.000 0.623 467 A CB -0.707 18.492 19.000 0.332 0.000 0.818 467 A HN 0.482 nan 8.150 nan 0.000 0.443 468 L N -0.633 120.560 121.223 -0.051 0.000 2.072 468 L HA -0.021 4.337 4.340 0.031 0.000 0.205 468 L C 2.256 178.969 176.870 -0.261 0.000 1.079 468 L CA 1.613 56.159 54.840 -0.490 0.000 0.752 468 L CB -0.498 40.961 42.059 -0.999 0.000 0.906 468 L HN 0.208 nan 8.230 nan 0.000 0.436 469 R N -0.293 120.125 120.500 -0.138 0.000 2.285 469 R HA -0.021 4.337 4.340 0.031 0.000 0.213 469 R C 2.338 178.602 176.300 -0.059 0.000 1.068 469 R CA 0.995 57.045 56.100 -0.082 0.000 1.004 469 R CB -0.809 29.472 30.300 -0.031 0.000 0.873 469 R HN 0.687 nan 8.270 nan 0.000 0.467 470 S N 0.294 115.965 115.700 -0.049 0.000 2.442 470 S HA -0.076 4.413 4.470 0.031 0.000 0.236 470 S C 1.362 175.932 174.600 -0.051 0.000 1.007 470 S CA 0.878 59.058 58.200 -0.034 0.000 0.965 470 S CB 0.162 63.355 63.200 -0.011 0.000 0.773 470 S HN 0.220 nan 8.310 nan 0.000 0.504 471 E N -0.063 120.087 120.200 -0.084 0.000 2.441 471 E HA 0.337 4.706 4.350 0.031 0.000 0.212 471 E C -0.451 176.080 176.600 -0.114 0.000 0.840 471 E CA 0.244 56.590 56.400 -0.091 0.000 1.143 471 E CB 1.298 30.940 29.700 -0.097 0.000 1.153 471 E HN 0.359 nan 8.360 nan 0.000 0.539 472 V N 1.681 121.510 119.914 -0.142 0.000 2.483 472 V HA 0.559 4.697 4.120 0.031 0.000 0.297 472 V C -0.114 175.916 176.094 -0.106 0.000 1.027 472 V CA -0.975 61.235 62.300 -0.150 0.000 0.855 472 V CB 1.520 33.220 31.823 -0.205 0.000 0.995 472 V HN 0.153 nan 8.190 nan 0.000 0.424 473 A N 2.747 125.519 122.820 -0.080 0.000 2.332 473 A HA 0.519 4.858 4.320 0.031 0.000 0.258 473 A C 0.117 177.716 177.584 0.025 0.000 1.087 473 A CA -0.172 51.852 52.037 -0.022 0.000 0.802 473 A CB -0.089 18.895 19.000 -0.027 0.000 1.042 473 A HN 1.061 nan 8.150 nan 0.000 0.489 474 H N -0.651 118.417 119.070 -0.003 0.000 3.134 474 H HA -0.044 4.531 4.556 0.031 0.000 0.326 474 H C -0.800 174.579 175.328 0.085 0.000 1.017 474 H CA 1.451 57.531 56.048 0.054 0.000 1.359 474 H CB -0.039 29.744 29.762 0.036 0.000 1.300 474 H HN 0.518 nan 8.280 nan 0.000 0.596 475 Y N 5.678 125.657 120.300 -0.534 0.000 2.595 475 Y HA 0.091 4.660 4.550 0.032 0.000 0.347 475 Y C 0.675 176.439 175.900 -0.226 0.000 1.025 475 Y CA -0.223 57.716 58.100 -0.268 0.000 1.295 475 Y CB 0.252 38.659 38.460 -0.088 0.000 1.147 475 Y HN 0.849 nan 8.280 nan 0.000 0.515 476 D N 4.310 124.640 120.400 -0.118 0.000 2.301 476 D HA 0.020 4.679 4.640 0.031 0.000 0.206 476 D C -0.141 176.158 176.300 -0.001 0.000 0.979 476 D CA 0.329 54.379 54.000 0.084 0.000 0.874 476 D CB 0.458 41.327 40.800 0.114 0.000 0.968 476 D HN 0.587 nan 8.370 nan 0.000 0.510 477 R N -0.569 119.810 120.500 -0.201 0.000 2.690 477 R HA 0.327 4.686 4.340 0.031 0.000 0.269 477 R C -1.639 174.446 176.300 -0.359 0.000 1.037 477 R CA -0.864 55.151 56.100 -0.142 0.000 0.877 477 R CB 0.259 30.509 30.300 -0.083 0.000 1.255 477 R HN -0.357 nan 8.270 nan 0.000 0.467 478 D N 1.780 122.134 120.400 -0.077 0.000 2.488 478 D HA 0.113 4.772 4.640 0.031 0.000 0.238 478 D C -0.017 176.204 176.300 -0.131 0.000 1.138 478 D CA 0.571 54.575 54.000 0.006 0.000 0.873 478 D CB 0.684 41.576 40.800 0.152 0.000 1.183 478 D HN 0.530 nan 8.370 nan 0.000 0.458 479 R N 0.710 121.136 120.500 -0.123 0.000 2.795 479 R HA 0.420 4.779 4.340 0.031 0.000 0.268 479 R C -0.597 175.790 176.300 0.145 0.000 1.041 479 R CA -0.981 55.087 56.100 -0.055 0.000 0.927 479 R CB 0.431 30.612 30.300 -0.198 0.000 1.235 479 R HN 0.126 nan 8.270 nan 0.000 0.463 480 F N 2.113 122.047 119.950 -0.027 0.000 2.571 480 F HA 0.092 4.638 4.527 0.030 0.000 0.390 480 F C 0.278 176.094 175.800 0.027 0.000 1.043 480 F CA -1.078 56.934 58.000 0.020 0.000 1.164 480 F CB 0.009 39.004 39.000 -0.009 0.000 1.049 480 F HN 0.633 nan 8.300 nan 0.000 0.552 481 F N 5.218 125.263 119.950 0.159 0.000 2.149 481 F HA 0.043 4.589 4.527 0.032 0.000 0.294 481 F C 2.178 177.814 175.800 -0.273 0.000 1.095 481 F CA 1.684 59.649 58.000 -0.058 0.000 1.276 481 F CB -0.533 38.434 39.000 -0.055 0.000 1.023 481 F HN 0.561 nan 8.300 nan 0.000 0.480 482 A N 0.734 123.493 122.820 -0.101 0.000 1.948 482 A HA -0.177 4.162 4.320 0.031 0.000 0.220 482 A C -0.318 177.074 177.584 -0.321 0.000 1.177 482 A CA 2.005 53.948 52.037 -0.156 0.000 0.636 482 A CB -2.157 16.789 19.000 -0.091 0.000 0.815 482 A HN 0.317 nan 8.150 nan 0.000 0.449 483 P HA -0.115 nan 4.420 nan 0.000 0.218 483 P C 0.415 177.558 177.300 -0.262 0.000 1.148 483 P CA 1.420 64.287 63.100 -0.388 0.000 0.822 483 P CB -0.078 31.351 31.700 -0.452 0.000 0.784 484 D N -0.794 119.427 120.400 -0.298 0.000 2.117 484 D HA -0.100 4.558 4.640 0.031 0.000 0.198 484 D C 1.971 178.185 176.300 -0.144 0.000 0.982 484 D CA 0.987 54.831 54.000 -0.260 0.000 0.828 484 D CB -0.711 39.834 40.800 -0.425 0.000 0.967 484 D HN 0.201 nan 8.370 nan 0.000 0.464 485 I N 1.099 121.631 120.570 -0.063 0.000 2.179 485 I HA -0.235 3.954 4.170 0.031 0.000 0.242 485 I C 2.237 178.351 176.117 -0.005 0.000 1.088 485 I CA 1.133 62.446 61.300 0.022 0.000 1.357 485 I CB -0.310 37.737 38.000 0.079 0.000 1.051 485 I HN -0.010 nan 8.210 nan 0.000 0.409 486 E N 1.087 121.261 120.200 -0.043 0.000 2.058 486 E HA -0.256 4.112 4.350 0.031 0.000 0.194 486 E C 2.196 178.777 176.600 -0.031 0.000 0.997 486 E CA 1.344 57.722 56.400 -0.036 0.000 0.801 486 E CB -0.080 29.583 29.700 -0.062 0.000 0.746 486 E HN 0.459 nan 8.360 nan 0.000 0.450 487 K N 0.361 120.724 120.400 -0.063 0.000 2.057 487 K HA -0.076 4.263 4.320 0.031 0.000 0.206 487 K C 2.197 178.779 176.600 -0.031 0.000 1.050 487 K CA 0.974 57.226 56.287 -0.058 0.000 0.935 487 K CB -0.103 32.337 32.500 -0.100 0.000 0.715 487 K HN 0.046 nan 8.250 nan 0.000 0.439 488 A N 1.034 123.827 122.820 -0.044 0.000 1.933 488 A HA -0.125 4.214 4.320 0.031 0.000 0.218 488 A C 2.350 180.049 177.584 0.193 0.000 1.175 488 A CA 1.364 53.416 52.037 0.025 0.000 0.628 488 A CB -0.652 18.351 19.000 0.004 0.000 0.814 488 A HN 0.067 nan 8.150 nan 0.000 0.444 489 V N 0.041 120.024 119.914 0.115 0.000 2.343 489 V HA -0.252 3.887 4.120 0.031 0.000 0.247 489 V C 2.629 178.773 176.094 0.083 0.000 1.051 489 V CA 2.474 64.835 62.300 0.101 0.000 1.036 489 V CB -0.670 31.184 31.823 0.052 0.000 0.654 489 V HN 0.735 nan 8.190 nan 0.000 0.451 490 E N 0.376 120.610 120.200 0.057 0.000 2.077 490 E HA -0.192 4.177 4.350 0.031 0.000 0.193 490 E C 2.032 178.677 176.600 0.075 0.000 0.989 490 E CA 1.464 57.889 56.400 0.041 0.000 0.800 490 E CB -0.422 29.288 29.700 0.017 0.000 0.746 490 E HN 0.553 nan 8.360 nan 0.000 0.452 491 L N -0.080 121.222 121.223 0.133 0.000 2.042 491 L HA -0.187 4.171 4.340 0.031 0.000 0.210 491 L C 2.522 179.510 176.870 0.197 0.000 1.076 491 L CA 1.058 56.022 54.840 0.205 0.000 0.749 491 L CB -0.420 41.846 42.059 0.344 0.000 0.893 491 L HN 0.235 nan 8.230 nan 0.000 0.432 492 L N -0.643 120.708 121.223 0.214 0.000 2.046 492 L HA -0.187 4.171 4.340 0.031 0.000 0.208 492 L C 2.833 179.717 176.870 0.023 0.000 1.077 492 L CA 1.133 56.012 54.840 0.065 0.000 0.747 492 L CB -0.752 41.340 42.059 0.054 0.000 0.896 492 L HN 0.248 nan 8.230 nan 0.000 0.432 493 A N -0.006 122.829 122.820 0.025 0.000 2.019 493 A HA -0.183 4.156 4.320 0.031 0.000 0.219 493 A C 2.144 179.732 177.584 0.007 0.000 1.164 493 A CA 1.370 53.401 52.037 -0.010 0.000 0.644 493 A CB -0.293 18.692 19.000 -0.024 0.000 0.805 493 A HN 0.327 nan 8.150 nan 0.000 0.449 494 K N -1.199 119.214 120.400 0.022 0.000 2.487 494 K HA 0.211 4.549 4.320 0.031 0.000 0.192 494 K C 0.894 177.504 176.600 0.018 0.000 1.027 494 K CA 0.429 56.727 56.287 0.020 0.000 1.054 494 K CB -0.113 32.404 32.500 0.027 0.000 0.824 494 K HN 0.638 nan 8.250 nan 0.000 0.510 495 G N 1.470 110.278 108.800 0.013 0.000 2.160 495 G HA2 -0.299 3.680 3.960 0.031 0.000 0.244 495 G HA3 -0.299 3.680 3.960 0.031 0.000 0.244 495 G C 0.784 175.677 174.900 -0.012 0.000 1.022 495 G CA 0.581 45.679 45.100 -0.002 0.000 0.741 495 G HN 0.327 nan 8.290 nan 0.000 0.508 496 S N -1.008 114.694 115.700 0.003 0.000 2.400 496 S HA 0.014 4.502 4.470 0.031 0.000 0.232 496 S C 2.218 176.791 174.600 -0.046 0.000 1.025 496 S CA 1.668 59.881 58.200 0.022 0.000 0.993 496 S CB -0.155 63.125 63.200 0.133 0.000 0.808 496 S HN 0.641 nan 8.310 nan 0.000 0.478 497 L N 0.370 121.504 121.223 -0.149 0.000 2.585 497 L HA 0.132 4.491 4.340 0.031 0.000 0.226 497 L C 2.285 179.075 176.870 -0.133 0.000 1.113 497 L CA 0.418 55.135 54.840 -0.205 0.000 0.876 497 L CB -0.437 41.383 42.059 -0.398 0.000 1.072 497 L HN 0.267 nan 8.230 nan 0.000 0.468 498 T N 0.188 114.690 114.554 -0.086 0.000 2.746 498 T HA -0.128 4.240 4.350 0.031 0.000 0.267 498 T C 1.865 176.538 174.700 -0.046 0.000 1.039 498 T CA 1.537 63.605 62.100 -0.054 0.000 1.142 498 T CB -0.305 68.549 68.868 -0.024 0.000 0.866 498 T HN 0.526 nan 8.240 nan 0.000 0.444 499 G N 0.903 109.679 108.800 -0.040 0.000 2.625 499 G HA2 -0.012 3.966 3.960 0.031 0.000 0.214 499 G HA3 -0.012 3.966 3.960 0.031 0.000 0.214 499 G C 1.341 176.218 174.900 -0.038 0.000 1.132 499 G CA 0.157 45.239 45.100 -0.031 0.000 0.782 499 G HN 0.450 nan 8.290 nan 0.000 0.538 500 L N -0.608 120.581 121.223 -0.056 0.000 2.313 500 L HA 0.203 4.561 4.340 0.031 0.000 0.214 500 L C 1.168 177.997 176.870 -0.068 0.000 1.119 500 L CA -0.334 54.468 54.840 -0.063 0.000 0.809 500 L CB -0.251 41.757 42.059 -0.086 0.000 0.933 500 L HN 0.149 nan 8.230 nan 0.000 0.449 501 L N 1.088 122.272 121.223 -0.066 0.000 2.416 501 L HA 0.261 4.620 4.340 0.031 0.000 0.272 501 L C -1.984 174.864 176.870 -0.036 0.000 1.161 501 L CA -1.400 53.405 54.840 -0.058 0.000 0.845 501 L CB 0.148 42.191 42.059 -0.026 0.000 1.119 501 L HN -0.226 nan 8.230 nan 0.000 0.464 502 P HA 0.112 nan 4.420 nan 0.000 0.267 502 P C -1.000 176.293 177.300 -0.012 0.000 1.200 502 P CA -0.093 62.995 63.100 -0.020 0.000 0.772 502 P CB 0.468 32.158 31.700 -0.017 0.000 0.855 503 A N 2.509 125.323 122.820 -0.011 0.000 2.425 503 A HA 0.464 4.803 4.320 0.031 0.000 0.242 503 A C 1.459 179.037 177.584 -0.010 0.000 1.077 503 A CA 0.477 52.508 52.037 -0.010 0.000 0.781 503 A CB -1.011 17.983 19.000 -0.010 0.000 1.020 503 A HN 0.881 nan 8.150 nan 0.000 0.494 504 G N -0.228 108.565 108.800 -0.012 0.000 2.148 504 G HA2 -0.210 3.769 3.960 0.031 0.000 0.254 504 G HA3 -0.210 3.769 3.960 0.031 0.000 0.254 504 G C 0.612 175.501 174.900 -0.019 0.000 0.981 504 G CA 0.612 45.704 45.100 -0.012 0.000 0.670 504 G HN 1.183 nan 8.290 nan 0.000 0.528 505 V N -0.085 119.814 119.914 -0.025 0.000 2.521 505 V HA 0.352 4.490 4.120 0.031 0.000 0.239 505 V C 1.673 177.712 176.094 -0.090 0.000 1.053 505 V CA 1.256 63.528 62.300 -0.045 0.000 1.073 505 V CB -0.073 31.736 31.823 -0.022 0.000 0.746 505 V HN 0.334 nan 8.190 nan 0.000 0.476 506 L N 0.698 121.871 121.223 -0.084 0.000 2.357 506 L HA 0.261 4.620 4.340 0.031 0.000 0.273 506 L C -1.373 175.468 176.870 -0.047 0.000 1.080 506 L CA -1.529 53.248 54.840 -0.106 0.000 0.803 506 L CB 1.034 43.047 42.059 -0.077 0.000 1.174 506 L HN 0.038 nan 8.230 nan 0.000 0.443 507 P HA -0.202 nan 4.420 nan 0.000 0.216 507 P C 1.155 178.471 177.300 0.027 0.000 1.157 507 P CA 1.388 64.485 63.100 -0.004 0.000 0.880 507 P CB 0.209 31.910 31.700 0.001 0.000 0.791 508 S N -3.025 112.710 115.700 0.058 0.000 2.577 508 S HA 0.222 4.711 4.470 0.031 0.000 0.219 508 S C 0.470 175.070 174.600 -0.000 0.000 0.962 508 S CA -0.217 58.017 58.200 0.058 0.000 0.921 508 S CB -0.696 62.589 63.200 0.141 0.000 0.789 508 S HN -0.060 nan 8.310 nan 0.000 0.497 509 L N 0.000 121.222 121.223 -0.002 0.000 2.949 509 L HA 0.000 4.359 4.340 0.031 0.000 0.249 509 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 509 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502