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 2id0_1_C DATA FIRST_RESID 5 DATA SEQUENCE NPLLAQLKQQ LHSQTPRAEG VVKATEKGFG FLEVDAQKSY FIPPPQXKKV DATA SEQUENCE XHGDRIIAVI HSEKERESAE PEELVEPFLT RFVGKVQGKN DRLAIVPDHP DATA SEQUENCE LLKDAIPCRA ARGLNHEFKE GDWAVAEXRR HPLKGDRSFY AELTQYITFG DATA SEQUENCE DDHFVPWWVT LARHNLEKEA PDGVATEXLD EGLVREDLTA LDFVTIDSAS DATA SEQUENCE TEDXDDALFA KALPDDKLQL IVAIADPTAW IAEGSKLDKA AKIRAFTNYL DATA SEQUENCE PGFNIPXLPR ELSDDLCSLR ANEVRPVLAC RXTLSADGTI EDNIEFFAAT DATA SEQUENCE IESKAKLVYD QVSDWLENTG DWQPESEAIA EQVRLLAQIC QRRGEWRHNH DATA SEQUENCE ALVFKDRPDY RFILGEKGEV LDIVAEPRRI ANRIVEEAXI AANICAARVL DATA SEQUENCE RDKLGFGIYN VHXGFDPANA DALAALLKTH GLHVDAEEVL TLDGFCKLRR DATA SEQUENCE ELDAQPTGFL DSRIRRFQSF AEISTEPGPH FGLGLEAYAT WTSPIRKYGD DATA SEQUENCE XINHRLLKAV IKGXXXXRPQ DEITVQXAER RRLNRXAERD VGDWLYARFL DATA SEQUENCE KDKAGTDTRF AAEIVDISRG GXRVRLVDNG AIAFIPAPFL HAVRDELVCS DATA SEQUENCE QENGTVQIKG ETVYKVTDVI DVTIAEVRXE TRSIIARPVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.506 175.510 -0.006 0.000 1.280 5 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 5 N CB 0.000 38.485 38.487 -0.004 0.000 1.341 6 P HA 0.160 nan 4.420 nan 0.000 0.224 6 P C 1.096 178.394 177.300 -0.003 0.000 1.157 6 P CA 0.629 63.727 63.100 -0.005 0.000 0.799 6 P CB 0.312 32.009 31.700 -0.004 0.000 0.809 7 L N -0.840 120.382 121.223 -0.002 0.000 1.961 7 L HA -0.135 4.206 4.340 0.001 0.000 0.209 7 L C 2.408 179.279 176.870 0.000 0.000 1.075 7 L CA 1.038 55.878 54.840 -0.000 0.000 0.749 7 L CB -1.337 40.722 42.059 0.000 0.000 0.890 7 L HN -0.077 nan 8.230 nan 0.000 0.433 8 L N 0.401 121.624 121.223 -0.000 0.000 2.034 8 L HA -0.294 4.047 4.340 0.001 0.000 0.217 8 L C 2.534 179.404 176.870 0.000 0.000 1.077 8 L CA 2.272 57.112 54.840 0.000 0.000 0.769 8 L CB -0.800 41.258 42.059 -0.001 0.000 0.890 8 L HN 0.247 nan 8.230 nan 0.000 0.435 9 A N -1.325 121.493 122.820 -0.003 0.000 1.908 9 A HA -0.295 4.025 4.320 0.001 0.000 0.218 9 A C 2.233 179.815 177.584 -0.002 0.000 1.181 9 A CA 2.022 54.055 52.037 -0.007 0.000 0.627 9 A CB -0.680 18.313 19.000 -0.010 0.000 0.818 9 A HN 0.688 nan 8.150 nan 0.000 0.445 10 Q N -1.209 118.591 119.800 0.001 0.000 1.967 10 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 10 Q C 2.080 178.087 176.000 0.011 0.000 0.985 10 Q CA 1.602 57.408 55.803 0.005 0.000 0.839 10 Q CB -0.395 28.346 28.738 0.004 0.000 0.906 10 Q HN 0.570 nan 8.270 nan 0.000 0.423 11 L N 1.359 122.588 121.223 0.010 0.000 2.030 11 L HA -0.341 3.999 4.340 0.001 0.000 0.222 11 L C 1.934 178.818 176.870 0.023 0.000 1.082 11 L CA 2.074 56.923 54.840 0.014 0.000 0.785 11 L CB -0.431 41.635 42.059 0.011 0.000 0.895 11 L HN 0.115 nan 8.230 nan 0.000 0.439 12 K N -1.244 119.169 120.400 0.021 0.000 2.097 12 K HA -0.241 4.080 4.320 0.001 0.000 0.206 12 K C 2.215 178.845 176.600 0.051 0.000 1.049 12 K CA 1.792 58.098 56.287 0.031 0.000 0.933 12 K CB -0.171 32.338 32.500 0.015 0.000 0.717 12 K HN 0.570 nan 8.250 nan 0.000 0.442 13 Q N 0.742 120.562 119.800 0.034 0.000 2.061 13 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 13 Q C 2.068 178.116 176.000 0.080 0.000 0.984 13 Q CA 1.561 57.393 55.803 0.048 0.000 0.846 13 Q CB 0.133 28.883 28.738 0.020 0.000 0.902 13 Q HN 0.351 nan 8.270 nan 0.000 0.421 14 Q N -0.093 119.737 119.800 0.049 0.000 2.084 14 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 14 Q C 2.255 178.279 176.000 0.040 0.000 0.978 14 Q CA 1.295 57.121 55.803 0.038 0.000 0.844 14 Q CB -0.079 28.672 28.738 0.022 0.000 0.898 14 Q HN 0.428 nan 8.270 nan 0.000 0.426 15 L N -0.550 120.702 121.223 0.048 0.000 2.083 15 L HA -0.227 4.114 4.340 0.001 0.000 0.209 15 L C 2.394 179.296 176.870 0.054 0.000 1.083 15 L CA 1.355 56.221 54.840 0.043 0.000 0.752 15 L CB -0.482 41.605 42.059 0.047 0.000 0.899 15 L HN 0.310 nan 8.230 nan 0.000 0.433 16 H N -0.108 118.964 119.070 0.003 0.000 2.423 16 H HA -0.132 4.424 4.556 0.001 0.000 0.297 16 H C 2.363 177.685 175.328 -0.010 0.000 1.075 16 H CA 1.564 57.614 56.048 0.003 0.000 1.342 16 H CB 0.216 29.981 29.762 0.004 0.000 1.395 16 H HN 0.352 nan 8.280 nan 0.000 0.530 17 S N -1.058 114.640 115.700 -0.003 0.000 2.478 17 S HA -0.100 4.370 4.470 0.001 0.000 0.222 17 S C 2.073 176.628 174.600 -0.074 0.000 1.008 17 S CA 0.579 58.751 58.200 -0.047 0.000 0.928 17 S CB 0.057 63.267 63.200 0.017 0.000 0.781 17 S HN 0.385 nan 8.310 nan 0.000 0.518 18 Q N 2.454 122.220 119.800 -0.056 0.000 2.248 18 Q HA -0.024 4.317 4.340 0.001 0.000 0.208 18 Q C 0.165 176.119 176.000 -0.077 0.000 0.984 18 Q CA 1.239 57.012 55.803 -0.050 0.000 0.875 18 Q CB -0.986 27.736 28.738 -0.027 0.000 0.910 18 Q HN 0.605 nan 8.270 nan 0.000 0.433 19 T N 2.807 117.285 114.554 -0.127 0.000 2.901 19 T HA 0.248 4.598 4.350 0.001 0.000 0.301 19 T C -2.361 172.240 174.700 -0.166 0.000 1.012 19 T CA -1.272 60.734 62.100 -0.156 0.000 1.135 19 T CB 0.830 69.556 68.868 -0.237 0.000 0.936 19 T HN 0.117 nan 8.240 nan 0.000 0.539 20 P HA 0.078 nan 4.420 nan 0.000 0.264 20 P C -0.082 177.106 177.300 -0.186 0.000 1.179 20 P CA 0.059 63.077 63.100 -0.136 0.000 0.763 20 P CB 0.480 32.109 31.700 -0.117 0.000 0.806 21 R N 1.514 121.928 120.500 -0.144 0.000 2.854 21 R HA 0.885 5.225 4.340 0.001 0.000 0.271 21 R C -0.754 175.476 176.300 -0.117 0.000 0.996 21 R CA -1.041 54.971 56.100 -0.145 0.000 0.961 21 R CB 2.179 32.417 30.300 -0.103 0.000 1.182 21 R HN 0.491 nan 8.270 nan 0.000 0.479 22 A N 0.736 123.486 122.820 -0.118 0.000 2.486 22 A HA 0.460 4.780 4.320 0.001 0.000 0.300 22 A C -1.131 176.443 177.584 -0.017 0.000 1.048 22 A CA -0.653 51.352 52.037 -0.052 0.000 0.696 22 A CB 1.869 20.836 19.000 -0.055 0.000 1.278 22 A HN 0.687 nan 8.150 nan 0.000 0.405 23 E N 0.933 121.143 120.200 0.018 0.000 2.191 23 E HA 0.649 4.999 4.350 0.001 0.000 0.278 23 E C 0.149 176.777 176.600 0.048 0.000 0.972 23 E CA -0.169 56.244 56.400 0.022 0.000 0.804 23 E CB 1.653 31.362 29.700 0.015 0.000 1.110 23 E HN 1.090 nan 8.360 nan 0.000 0.394 24 G N 1.264 110.090 108.800 0.044 0.000 2.548 24 G HA2 0.381 4.341 3.960 0.001 0.000 0.301 24 G HA3 0.381 4.341 3.960 0.001 0.000 0.301 24 G C -1.543 173.377 174.900 0.032 0.000 1.349 24 G CA -0.566 44.567 45.100 0.056 0.000 0.792 24 G HN 0.426 nan 8.290 nan 0.000 0.481 25 V N 0.184 120.113 119.914 0.024 0.000 2.483 25 V HA 0.504 4.624 4.120 0.001 0.000 0.295 25 V C 0.242 176.318 176.094 -0.029 0.000 1.035 25 V CA -0.713 61.576 62.300 -0.019 0.000 0.896 25 V CB 1.622 33.420 31.823 -0.042 0.000 0.986 25 V HN 0.584 nan 8.190 nan 0.000 0.447 26 V N 5.697 125.565 119.914 -0.077 0.000 2.508 26 V HA 0.290 4.410 4.120 0.001 0.000 0.281 26 V C 0.236 176.250 176.094 -0.133 0.000 1.041 26 V CA -0.385 61.877 62.300 -0.063 0.000 1.016 26 V CB 0.929 32.721 31.823 -0.052 0.000 0.984 26 V HN 0.698 nan 8.190 nan 0.000 0.478 27 K N 4.242 124.664 120.400 0.037 0.000 2.274 27 K HA 0.784 5.104 4.320 0.001 0.000 0.262 27 K C -0.131 176.617 176.600 0.247 0.000 0.961 27 K CA -0.171 56.209 56.287 0.155 0.000 0.833 27 K CB 2.173 34.777 32.500 0.174 0.000 1.102 27 K HN 0.729 nan 8.250 nan 0.000 0.436 28 A N 1.730 124.778 122.820 0.379 0.000 2.309 28 A HA 0.847 5.168 4.320 0.001 0.000 0.317 28 A C 0.216 177.749 177.584 -0.086 0.000 1.134 28 A CA -0.272 51.797 52.037 0.053 0.000 0.866 28 A CB 1.030 20.010 19.000 -0.033 0.000 1.329 28 A HN 0.793 nan 8.150 nan 0.000 0.477 29 T N -3.315 111.150 114.554 -0.149 0.000 2.584 29 T HA 0.402 4.753 4.350 0.001 0.000 0.273 29 T C 0.181 174.767 174.700 -0.190 0.000 0.978 29 T CA -0.215 61.782 62.100 -0.172 0.000 1.159 29 T CB 0.244 69.027 68.868 -0.142 0.000 1.556 29 T HN 0.331 nan 8.240 nan 0.000 0.472 30 E N 0.804 120.900 120.200 -0.174 0.000 2.274 30 E HA 0.095 4.446 4.350 0.001 0.000 0.194 30 E C 0.370 176.861 176.600 -0.181 0.000 0.996 30 E CA 0.646 56.956 56.400 -0.150 0.000 0.840 30 E CB 0.004 29.639 29.700 -0.109 0.000 0.772 30 E HN 0.323 nan 8.360 nan 0.000 0.491 31 K N -0.037 120.188 120.400 -0.292 0.000 2.138 31 K HA 0.159 4.479 4.320 0.001 0.000 0.251 31 K C 1.376 177.766 176.600 -0.351 0.000 1.015 31 K CA 0.151 56.187 56.287 -0.419 0.000 0.917 31 K CB 0.435 32.360 32.500 -0.959 0.000 1.021 31 K HN 0.031 nan 8.250 nan 0.000 0.485 32 G N 0.821 109.501 108.800 -0.199 0.000 2.598 32 G HA2 -0.068 3.892 3.960 0.001 0.000 0.215 32 G HA3 -0.068 3.892 3.960 0.001 0.000 0.215 32 G C 0.352 175.225 174.900 -0.045 0.000 1.131 32 G CA 0.438 45.501 45.100 -0.062 0.000 0.785 32 G HN 0.501 nan 8.290 nan 0.000 0.539 33 F N -1.143 118.743 119.950 -0.107 0.000 2.523 33 F HA 0.860 5.387 4.527 0.000 0.000 0.329 33 F C 0.405 176.028 175.800 -0.294 0.000 1.061 33 F CA -1.375 56.455 58.000 -0.283 0.000 0.967 33 F CB 1.364 40.159 39.000 -0.342 0.000 1.218 33 F HN 0.052 nan 8.300 nan 0.000 0.480 34 G N 0.282 108.922 108.800 -0.268 0.000 3.176 34 G HA2 0.717 4.678 3.960 0.001 0.000 0.272 34 G HA3 0.717 4.678 3.960 0.001 0.000 0.272 34 G C -2.285 172.298 174.900 -0.529 0.000 1.349 34 G CA -1.005 43.961 45.100 -0.224 0.000 0.953 34 G HN 0.554 nan 8.290 nan 0.000 0.559 35 F N -1.053 118.931 119.950 0.057 0.000 2.578 35 F HA 0.484 5.012 4.527 0.001 0.000 0.311 35 F C -0.421 175.418 175.800 0.065 0.000 1.094 35 F CA -0.644 57.409 58.000 0.087 0.000 0.923 35 F CB 2.551 41.618 39.000 0.110 0.000 1.230 35 F HN 0.304 nan 8.300 nan 0.000 0.450 36 L N 3.212 124.599 121.223 0.273 0.000 2.282 36 L HA 0.330 4.670 4.340 0.001 0.000 0.287 36 L C 0.064 177.073 176.870 0.231 0.000 1.075 36 L CA 0.111 55.081 54.840 0.218 0.000 0.839 36 L CB 0.217 42.406 42.059 0.217 0.000 1.219 36 L HN 0.522 nan 8.230 nan 0.000 0.434 37 E N 3.397 123.688 120.200 0.152 0.000 2.081 37 E HA 0.040 4.390 4.350 0.001 0.000 0.270 37 E C 0.733 177.385 176.600 0.087 0.000 1.180 37 E CA -0.225 56.231 56.400 0.094 0.000 0.926 37 E CB 0.891 30.622 29.700 0.050 0.000 1.035 37 E HN 0.624 nan 8.360 nan 0.000 0.418 38 V N 3.483 123.460 119.914 0.106 0.000 2.331 38 V HA -0.084 4.036 4.120 0.001 0.000 0.242 38 V C 0.744 176.873 176.094 0.058 0.000 1.034 38 V CA 1.376 63.739 62.300 0.105 0.000 1.027 38 V CB -0.030 31.899 31.823 0.178 0.000 0.667 38 V HN 0.564 nan 8.190 nan 0.000 0.457 39 D N -2.193 118.228 120.400 0.034 0.000 2.837 39 D HA 0.601 5.241 4.640 0.001 0.000 0.294 39 D C 0.940 177.241 176.300 0.001 0.000 1.158 39 D CA 0.215 54.225 54.000 0.018 0.000 1.073 39 D CB 1.649 42.459 40.800 0.018 0.000 1.419 39 D HN 0.016 nan 8.370 nan 0.000 0.584 40 A N -0.811 122.008 122.820 -0.002 0.000 1.970 40 A HA 0.207 4.527 4.320 0.001 0.000 0.216 40 A C 1.129 178.700 177.584 -0.022 0.000 1.170 40 A CA 1.744 53.775 52.037 -0.010 0.000 0.645 40 A CB -0.466 18.532 19.000 -0.003 0.000 0.816 40 A HN 0.425 nan 8.150 nan 0.000 0.447 41 Q N -0.100 119.687 119.800 -0.021 0.000 2.788 41 Q HA 0.670 5.011 4.340 0.001 0.000 0.261 41 Q C -0.396 175.574 176.000 -0.050 0.000 1.029 41 Q CA -0.307 55.474 55.803 -0.036 0.000 0.848 41 Q CB -0.177 28.546 28.738 -0.025 0.000 1.185 41 Q HN 0.493 nan 8.270 nan 0.000 0.482 42 K N 0.430 120.783 120.400 -0.079 0.000 2.244 42 K HA 0.319 4.639 4.320 0.001 0.000 0.376 42 K C -1.830 174.669 176.600 -0.169 0.000 1.563 42 K CA 0.036 56.237 56.287 -0.143 0.000 1.147 42 K CB 0.754 33.216 32.500 -0.063 0.000 1.404 42 K HN 0.452 nan 8.250 nan 0.000 0.479 43 S N 3.067 118.604 115.700 -0.272 0.000 2.614 43 S HA 0.585 5.056 4.470 0.001 0.000 0.288 43 S C -1.726 172.786 174.600 -0.147 0.000 1.137 43 S CA -0.422 57.716 58.200 -0.103 0.000 0.992 43 S CB 0.578 63.756 63.200 -0.037 0.000 1.026 43 S HN 0.393 nan 8.310 nan 0.000 0.486 44 Y N 2.936 123.395 120.300 0.266 0.000 2.335 44 Y HA 0.449 4.999 4.550 0.001 0.000 0.338 44 Y C 0.073 176.125 175.900 0.254 0.000 0.977 44 Y CA -0.887 57.361 58.100 0.247 0.000 1.114 44 Y CB 0.930 39.471 38.460 0.136 0.000 1.182 44 Y HN 0.701 nan 8.280 nan 0.000 0.463 45 F N 4.891 124.968 119.950 0.213 0.000 2.602 45 F HA 0.250 4.777 4.527 0.000 0.000 0.367 45 F C -0.472 175.283 175.800 -0.077 0.000 1.126 45 F CA -0.166 57.749 58.000 -0.142 0.000 1.321 45 F CB 0.189 39.127 39.000 -0.103 0.000 1.094 45 F HN 0.318 nan 8.300 nan 0.000 0.594 46 I N 7.890 127.906 120.570 -0.924 0.000 2.411 46 I HA 0.270 4.440 4.170 0.001 0.000 0.284 46 I C -2.325 173.227 176.117 -0.943 0.000 1.012 46 I CA -2.253 58.658 61.300 -0.649 0.000 1.119 46 I CB 1.395 39.205 38.000 -0.316 0.000 1.261 46 I HN 0.435 nan 8.210 nan 0.000 0.448 47 P HA 0.003 nan 4.420 nan 0.000 0.261 47 P C -1.948 175.252 177.300 -0.167 0.000 1.173 47 P CA -0.692 62.245 63.100 -0.271 0.000 0.760 47 P CB 0.040 31.736 31.700 -0.005 0.000 0.783 48 P HA -0.221 nan 4.420 nan 0.000 0.222 48 P C -0.916 176.375 177.300 -0.016 0.000 1.155 48 P CA 2.669 65.762 63.100 -0.012 0.000 0.890 48 P CB -1.705 30.029 31.700 0.056 0.000 0.790 49 P HA -0.085 nan 4.420 nan 0.000 0.222 49 P C 0.834 178.133 177.300 -0.001 0.000 1.153 49 P CA 1.188 64.290 63.100 0.003 0.000 0.798 49 P CB -0.158 31.547 31.700 0.009 0.000 0.796 53 K N 1.169 121.629 120.400 0.101 0.000 2.387 53 K HA 0.215 4.535 4.320 0.001 0.000 0.198 53 K C 0.807 177.486 176.600 0.131 0.000 1.022 53 K CA 0.037 56.349 56.287 0.043 0.000 1.128 53 K CB 0.384 32.886 32.500 0.003 0.000 0.853 53 K HN -0.010 nan 8.250 nan 0.000 0.523 57 G N 3.010 111.075 108.800 -1.226 0.000 2.184 57 G HA2 -0.274 3.686 3.960 0.001 0.000 0.264 57 G HA3 -0.274 3.686 3.960 0.001 0.000 0.264 57 G C -0.161 174.585 174.900 -0.257 0.000 0.975 57 G CA 0.389 44.901 45.100 -0.981 0.000 0.642 57 G HN 0.743 nan 8.290 nan 0.000 0.536 58 D N 0.093 120.421 120.400 -0.119 0.000 2.414 58 D HA 0.377 5.018 4.640 0.001 0.000 0.242 58 D C 0.867 177.171 176.300 0.007 0.000 1.129 58 D CA -0.015 54.014 54.000 0.048 0.000 0.885 58 D CB 0.641 41.513 40.800 0.120 0.000 1.198 58 D HN 0.462 nan 8.370 nan 0.000 0.437 59 R N 3.126 123.641 120.500 0.025 0.000 2.198 59 R HA 0.464 4.804 4.340 0.001 0.000 0.339 59 R C -0.315 175.987 176.300 0.002 0.000 1.020 59 R CA -0.431 55.675 56.100 0.011 0.000 0.864 59 R CB 0.007 30.318 30.300 0.017 0.000 1.105 59 R HN 0.560 nan 8.270 nan 0.000 0.463 60 I N 0.808 121.381 120.570 0.006 0.000 3.145 60 I HA 0.559 4.729 4.170 0.001 0.000 0.313 60 I C -0.977 175.140 176.117 -0.000 0.000 1.122 60 I CA -1.495 59.805 61.300 -0.000 0.000 0.987 60 I CB 2.120 40.128 38.000 0.014 0.000 1.236 60 I HN 0.419 nan 8.210 nan 0.000 0.453 61 I N 2.580 123.145 120.570 -0.009 0.000 2.377 61 I HA 0.719 4.889 4.170 0.001 0.000 0.293 61 I C 0.029 176.130 176.117 -0.027 0.000 0.987 61 I CA -0.417 60.873 61.300 -0.018 0.000 1.185 61 I CB 1.743 39.731 38.000 -0.020 0.000 1.341 61 I HN 0.796 nan 8.210 nan 0.000 0.455 62 A N 5.574 128.361 122.820 -0.055 0.000 2.401 62 A HA 0.757 5.078 4.320 0.001 0.000 0.310 62 A C -0.764 176.727 177.584 -0.155 0.000 1.075 62 A CA -0.593 51.396 52.037 -0.080 0.000 0.746 62 A CB 1.514 20.470 19.000 -0.073 0.000 1.277 62 A HN 0.391 nan 8.150 nan 0.000 0.425 63 V N 2.802 122.603 119.914 -0.189 0.000 2.614 63 V HA 0.154 4.274 4.120 0.001 0.000 0.291 63 V C -0.183 175.654 176.094 -0.429 0.000 1.049 63 V CA -0.107 61.990 62.300 -0.339 0.000 1.038 63 V CB 0.882 32.446 31.823 -0.431 0.000 0.980 63 V HN 0.588 nan 8.190 nan 0.000 0.481 64 I N 5.165 125.463 120.570 -0.453 0.000 2.306 64 I HA 0.312 4.482 4.170 0.001 0.000 0.288 64 I C 0.176 176.075 176.117 -0.364 0.000 1.036 64 I CA -0.346 60.691 61.300 -0.438 0.000 1.221 64 I CB 0.435 38.132 38.000 -0.505 0.000 1.385 64 I HN 0.559 nan 8.210 nan 0.000 0.472 65 H N 5.146 124.159 119.070 -0.095 0.000 2.652 65 H HA 0.297 4.853 4.556 0.001 0.000 0.298 65 H C 0.395 175.720 175.328 -0.004 0.000 1.076 65 H CA -0.131 55.893 56.048 -0.040 0.000 1.360 65 H CB 1.166 30.917 29.762 -0.018 0.000 1.421 65 H HN 0.446 nan 8.280 nan 0.000 0.464 66 S N 2.252 118.011 115.700 0.098 0.000 2.554 66 S HA -0.000 4.470 4.470 0.001 0.000 0.226 66 S C 1.975 176.615 174.600 0.067 0.000 0.980 66 S CA 0.370 58.617 58.200 0.078 0.000 0.939 66 S CB 0.622 63.853 63.200 0.051 0.000 0.832 66 S HN 0.815 nan 8.310 nan 0.000 0.486 67 E N 2.145 122.388 120.200 0.071 0.000 2.046 67 E HA 0.017 4.367 4.350 0.001 0.000 0.190 67 E C 1.023 177.641 176.600 0.031 0.000 0.982 67 E CA 0.997 57.423 56.400 0.044 0.000 0.800 67 E CB -0.451 29.270 29.700 0.036 0.000 0.756 67 E HN 0.299 nan 8.360 nan 0.000 0.449 68 K N 0.431 120.852 120.400 0.034 0.000 2.559 68 K HA 0.196 4.517 4.320 0.001 0.000 0.279 68 K C 1.287 177.897 176.600 0.016 0.000 0.967 68 K CA 1.013 57.311 56.287 0.018 0.000 1.000 68 K CB 0.661 33.175 32.500 0.022 0.000 0.890 68 K HN 0.291 nan 8.250 nan 0.000 0.501 69 E N 3.858 124.055 120.200 -0.004 0.000 2.338 69 E HA -0.133 4.218 4.350 0.001 0.000 0.197 69 E C 0.618 177.213 176.600 -0.009 0.000 1.007 69 E CA 1.437 57.832 56.400 -0.007 0.000 0.849 69 E CB -0.090 29.598 29.700 -0.020 0.000 0.774 69 E HN 0.519 nan 8.360 nan 0.000 0.506 70 R N -0.263 120.226 120.500 -0.018 0.000 2.711 70 R HA 0.410 4.750 4.340 0.001 0.000 0.284 70 R C -1.019 175.315 176.300 0.056 0.000 0.968 70 R CA -0.467 55.628 56.100 -0.009 0.000 0.924 70 R CB 1.390 31.631 30.300 -0.099 0.000 1.162 70 R HN 0.272 nan 8.270 nan 0.000 0.465 71 E N 0.943 121.222 120.200 0.132 0.000 2.266 71 E HA 0.219 4.569 4.350 0.001 0.000 0.277 71 E C -0.823 175.964 176.600 0.312 0.000 1.018 71 E CA -0.374 56.163 56.400 0.228 0.000 0.840 71 E CB 1.706 31.610 29.700 0.340 0.000 1.082 71 E HN 0.607 nan 8.360 nan 0.000 0.395 72 S N 0.447 116.309 115.700 0.269 0.000 2.569 72 S HA 0.781 5.252 4.470 0.001 0.000 0.280 72 S C -0.907 173.773 174.600 0.132 0.000 1.111 72 S CA -1.070 57.301 58.200 0.284 0.000 0.887 72 S CB 1.886 65.277 63.200 0.319 0.000 1.095 72 S HN 0.519 nan 8.310 nan 0.000 0.476 73 A N 0.942 123.810 122.820 0.079 0.000 2.330 73 A HA 0.728 5.048 4.320 0.001 0.000 0.327 73 A C -0.357 177.238 177.584 0.019 0.000 1.155 73 A CA -0.626 51.387 52.037 -0.040 0.000 0.803 73 A CB 0.916 19.887 19.000 -0.049 0.000 1.208 73 A HN 0.887 nan 8.150 nan 0.000 0.477 74 E N 3.243 123.454 120.200 0.019 0.000 2.102 74 E HA 0.377 4.727 4.350 0.001 0.000 0.263 74 E C -2.619 173.992 176.600 0.019 0.000 0.894 74 E CA -2.259 54.176 56.400 0.059 0.000 0.746 74 E CB 1.009 30.811 29.700 0.171 0.000 1.129 74 E HN 0.323 nan 8.360 nan 0.000 0.416 75 P HA -0.100 nan 4.420 nan 0.000 0.260 75 P C -0.267 177.056 177.300 0.037 0.000 1.172 75 P CA 0.752 63.868 63.100 0.027 0.000 0.760 75 P CB 0.627 32.354 31.700 0.045 0.000 0.773 76 E N 2.882 123.098 120.200 0.027 0.000 2.406 76 E HA 0.058 4.409 4.350 0.001 0.000 0.204 76 E C -0.091 176.525 176.600 0.026 0.000 0.820 76 E CA -0.080 56.346 56.400 0.043 0.000 1.136 76 E CB 0.520 30.251 29.700 0.052 0.000 1.129 76 E HN 0.468 nan 8.360 nan 0.000 0.530 77 E N 0.698 120.901 120.200 0.006 0.000 2.331 77 E HA 0.323 4.674 4.350 0.001 0.000 0.275 77 E C -1.773 174.806 176.600 -0.036 0.000 0.895 77 E CA -0.913 55.479 56.400 -0.013 0.000 0.753 77 E CB 1.793 31.488 29.700 -0.009 0.000 1.216 77 E HN 0.129 nan 8.360 nan 0.000 0.434 78 L N 5.332 126.509 121.223 -0.076 0.000 2.281 78 L HA 0.239 4.580 4.340 0.001 0.000 0.285 78 L C -0.103 176.719 176.870 -0.081 0.000 1.074 78 L CA 0.264 55.028 54.840 -0.127 0.000 0.817 78 L CB 1.374 43.260 42.059 -0.288 0.000 1.168 78 L HN 0.702 nan 8.230 nan 0.000 0.434 79 V N 3.205 123.086 119.914 -0.055 0.000 2.581 79 V HA 0.227 4.347 4.120 0.001 0.000 0.240 79 V C 0.464 176.542 176.094 -0.027 0.000 1.054 79 V CA 0.454 62.736 62.300 -0.030 0.000 1.076 79 V CB -0.160 31.655 31.823 -0.014 0.000 0.748 79 V HN 0.840 nan 8.190 nan 0.000 0.474 80 E N 0.402 120.588 120.200 -0.024 0.000 2.343 80 E HA 0.306 4.656 4.350 0.001 0.000 0.288 80 E C -3.020 173.587 176.600 0.013 0.000 0.907 80 E CA -1.720 54.676 56.400 -0.006 0.000 0.792 80 E CB 2.829 32.535 29.700 0.011 0.000 1.275 80 E HN 0.139 nan 8.360 nan 0.000 0.402 81 P HA 0.105 nan 4.420 nan 0.000 0.275 81 P C 0.004 177.378 177.300 0.122 0.000 1.228 81 P CA -0.253 62.893 63.100 0.077 0.000 0.786 81 P CB 0.397 32.148 31.700 0.085 0.000 0.927 82 F N 2.439 122.384 119.950 -0.009 0.000 2.259 82 F HA 0.080 4.608 4.527 0.000 0.000 0.298 82 F C 0.387 176.162 175.800 -0.041 0.000 1.088 82 F CA 1.187 59.155 58.000 -0.053 0.000 1.358 82 F CB 0.193 39.122 39.000 -0.118 0.000 1.040 82 F HN 0.116 nan 8.300 nan 0.000 0.505 83 L N 0.268 121.468 121.223 -0.037 0.000 2.346 83 L HA 0.328 4.669 4.340 0.001 0.000 0.274 83 L C 0.598 177.492 176.870 0.039 0.000 1.007 83 L CA -0.032 54.745 54.840 -0.105 0.000 0.818 83 L CB 1.926 43.881 42.059 -0.173 0.000 1.284 83 L HN 0.098 nan 8.230 nan 0.000 0.424 84 T N -0.981 113.624 114.554 0.085 0.000 3.212 84 T HA 0.164 4.515 4.350 0.001 0.000 0.157 84 T C 0.508 175.348 174.700 0.234 0.000 0.908 84 T CA -0.464 61.719 62.100 0.138 0.000 0.954 84 T CB 0.154 69.060 68.868 0.063 0.000 1.709 84 T HN 0.358 nan 8.240 nan 0.000 0.335 85 R N 1.611 122.197 120.500 0.144 0.000 2.267 85 R HA 0.555 4.896 4.340 0.001 0.000 0.319 85 R C -1.124 175.279 176.300 0.173 0.000 1.067 85 R CA -0.589 55.571 56.100 0.100 0.000 0.936 85 R CB 0.013 30.334 30.300 0.034 0.000 1.006 85 R HN 0.580 nan 8.270 nan 0.000 0.452 86 F N 1.904 121.855 119.950 0.002 0.000 2.754 86 F HA 0.643 5.170 4.527 0.000 0.000 0.320 86 F C -1.240 174.592 175.800 0.053 0.000 1.156 86 F CA -1.305 56.703 58.000 0.013 0.000 0.950 86 F CB 0.747 39.754 39.000 0.011 0.000 1.388 86 F HN 0.150 nan 8.300 nan 0.000 0.485 87 V N -0.850 119.198 119.914 0.223 0.000 3.019 87 V HA 1.105 5.226 4.120 0.001 0.000 0.317 87 V C -0.308 176.048 176.094 0.437 0.000 1.094 87 V CA -0.231 62.199 62.300 0.217 0.000 1.000 87 V CB 0.890 32.879 31.823 0.276 0.000 1.060 87 V HN 1.833 nan 8.190 nan 0.000 0.443 88 G N 0.977 109.988 108.800 0.351 0.000 2.328 88 G HA2 0.380 4.340 3.960 0.001 0.000 0.295 88 G HA3 0.380 4.340 3.960 0.001 0.000 0.295 88 G C -1.777 173.000 174.900 -0.205 0.000 1.413 88 G CA -1.093 44.092 45.100 0.142 0.000 0.817 88 G HN 0.750 nan 8.290 nan 0.000 0.546 89 K N 0.504 120.590 120.400 -0.523 0.000 2.201 89 K HA 0.518 4.838 4.320 0.001 0.000 0.278 89 K C 0.097 176.560 176.600 -0.228 0.000 1.027 89 K CA -0.492 55.443 56.287 -0.587 0.000 0.909 89 K CB 2.142 34.225 32.500 -0.696 0.000 1.062 89 K HN 0.285 nan 8.250 nan 0.000 0.465 90 V N 3.913 123.753 119.914 -0.123 0.000 2.775 90 V HA 0.045 4.166 4.120 0.001 0.000 0.299 90 V C 0.436 176.511 176.094 -0.030 0.000 1.062 90 V CA -0.100 62.170 62.300 -0.050 0.000 1.063 90 V CB 0.997 32.831 31.823 0.017 0.000 0.994 90 V HN 0.823 nan 8.190 nan 0.000 0.483 91 Q N 2.674 122.458 119.800 -0.026 0.000 2.683 91 Q HA 0.825 5.165 4.340 0.001 0.000 0.302 91 Q C -0.047 175.952 176.000 -0.001 0.000 1.042 91 Q CA -0.517 55.281 55.803 -0.009 0.000 0.773 91 Q CB 2.333 31.058 28.738 -0.021 0.000 1.508 91 Q HN 1.269 nan 8.270 nan 0.000 0.459 92 G N 0.496 109.299 108.800 0.006 0.000 2.661 92 G HA2 -0.026 3.934 3.960 0.001 0.000 0.685 92 G HA3 -0.026 3.934 3.960 0.001 0.000 0.685 92 G C -1.507 173.404 174.900 0.019 0.000 1.298 92 G CA -0.345 44.761 45.100 0.010 0.000 0.855 92 G HN 0.962 nan 8.290 nan 0.000 0.560 93 K N -0.161 120.250 120.400 0.018 0.000 2.498 93 K HA 0.679 5.000 4.320 0.001 0.000 0.254 93 K C 0.967 177.578 176.600 0.019 0.000 0.933 93 K CA -0.242 56.056 56.287 0.019 0.000 0.806 93 K CB 1.799 34.308 32.500 0.015 0.000 1.301 93 K HN 0.806 nan 8.250 nan 0.000 0.432 94 N N 1.306 120.017 118.700 0.018 0.000 2.209 94 N HA -0.496 4.245 4.740 0.001 0.000 0.153 94 N C 1.376 176.899 175.510 0.022 0.000 0.326 94 N CA 2.898 55.958 53.050 0.016 0.000 1.500 94 N CB -2.133 36.360 38.487 0.010 0.000 1.300 94 N HN 0.920 nan 8.380 nan 0.000 0.409 95 D N 1.983 122.395 120.400 0.020 0.000 2.177 95 D HA -0.179 4.461 4.640 0.001 0.000 0.189 95 D C 1.030 177.349 176.300 0.032 0.000 1.002 95 D CA 2.398 56.413 54.000 0.024 0.000 0.845 95 D CB -0.203 40.610 40.800 0.021 0.000 0.960 95 D HN 0.383 nan 8.370 nan 0.000 0.447 96 R N -0.294 120.224 120.500 0.029 0.000 2.472 96 R HA 0.493 4.833 4.340 0.001 0.000 0.294 96 R C -0.955 175.355 176.300 0.017 0.000 1.243 96 R CA -0.381 55.738 56.100 0.032 0.000 1.023 96 R CB 0.989 31.310 30.300 0.034 0.000 1.157 96 R HN 0.414 nan 8.270 nan 0.000 0.530 97 L N 1.389 122.615 121.223 0.005 0.000 2.418 97 L HA 0.691 5.031 4.340 0.001 0.000 0.265 97 L C 0.513 177.348 176.870 -0.057 0.000 1.143 97 L CA -0.487 54.337 54.840 -0.027 0.000 0.809 97 L CB 1.104 43.129 42.059 -0.056 0.000 1.124 97 L HN 0.511 nan 8.230 nan 0.000 0.456 98 A N 3.201 125.982 122.820 -0.065 0.000 2.549 98 A HA 0.697 5.017 4.320 0.001 0.000 0.297 98 A C -1.350 176.189 177.584 -0.073 0.000 1.061 98 A CA -0.437 51.553 52.037 -0.079 0.000 0.690 98 A CB 1.637 20.609 19.000 -0.045 0.000 1.287 98 A HN 0.659 nan 8.150 nan 0.000 0.402 99 I N 2.220 122.753 120.570 -0.062 0.000 2.406 99 I HA 0.544 4.714 4.170 0.001 0.000 0.290 99 I C -1.121 175.007 176.117 0.018 0.000 0.999 99 I CA -0.901 60.386 61.300 -0.021 0.000 1.124 99 I CB 1.589 39.594 38.000 0.009 0.000 1.289 99 I HN 0.381 nan 8.210 nan 0.000 0.441 100 V N 9.646 129.551 119.914 -0.014 0.000 2.385 100 V HA 0.298 4.419 4.120 0.001 0.000 0.269 100 V C -2.089 174.034 176.094 0.048 0.000 1.043 100 V CA -1.543 60.745 62.300 -0.021 0.000 0.906 100 V CB 0.742 32.531 31.823 -0.056 0.000 0.995 100 V HN 0.648 nan 8.190 nan 0.000 0.467 101 P HA 0.060 nan 4.420 nan 0.000 0.268 101 P C -0.298 177.096 177.300 0.157 0.000 1.205 101 P CA -0.217 62.958 63.100 0.125 0.000 0.771 101 P CB 0.438 31.972 31.700 -0.277 0.000 0.858 102 D N 1.841 122.411 120.400 0.284 0.000 2.671 102 D HA -0.009 4.632 4.640 0.001 0.000 0.228 102 D C -0.596 175.837 176.300 0.221 0.000 1.102 102 D CA 0.507 54.672 54.000 0.275 0.000 1.044 102 D CB -0.916 40.149 40.800 0.442 0.000 1.113 102 D HN 0.231 nan 8.370 nan 0.000 0.480 103 H N 1.277 120.378 119.070 0.052 0.000 2.947 103 H HA 0.206 4.762 4.556 0.000 0.000 0.354 103 H C -2.113 173.189 175.328 -0.043 0.000 1.085 103 H CA -1.563 54.502 56.048 0.029 0.000 1.253 103 H CB 2.164 31.986 29.762 0.100 0.000 1.757 103 H HN -0.003 nan 8.280 nan 0.000 0.523 104 P HA -0.142 nan 4.420 nan 0.000 0.218 104 P C 1.138 178.396 177.300 -0.071 0.000 1.154 104 P CA 1.391 64.394 63.100 -0.162 0.000 0.872 104 P CB 0.327 31.858 31.700 -0.280 0.000 0.790 105 L N -2.067 119.179 121.223 0.038 0.000 2.741 105 L HA 0.177 4.517 4.340 0.001 0.000 0.237 105 L C 0.545 177.337 176.870 -0.130 0.000 1.178 105 L CA -0.131 54.621 54.840 -0.147 0.000 0.973 105 L CB -0.134 41.631 42.059 -0.490 0.000 1.255 105 L HN -0.076 nan 8.230 nan 0.000 0.498 106 L N 1.314 122.521 121.223 -0.027 0.000 2.506 106 L HA 0.214 4.554 4.340 0.001 0.000 0.247 106 L C 0.991 177.801 176.870 -0.099 0.000 1.141 106 L CA -0.081 54.696 54.840 -0.105 0.000 0.973 106 L CB 0.550 42.543 42.059 -0.111 0.000 1.319 106 L HN 0.241 nan 8.230 nan 0.000 0.455 107 K N -1.877 118.456 120.400 -0.111 0.000 2.361 107 K HA 0.184 4.504 4.320 0.001 0.000 0.194 107 K C -0.181 176.361 176.600 -0.097 0.000 1.032 107 K CA -0.315 55.919 56.287 -0.089 0.000 1.048 107 K CB 0.516 32.966 32.500 -0.083 0.000 0.842 107 K HN 0.215 nan 8.250 nan 0.000 0.526 108 D N 2.369 122.691 120.400 -0.131 0.000 2.308 108 D HA 0.209 4.849 4.640 0.001 0.000 0.251 108 D C -0.367 175.856 176.300 -0.129 0.000 1.127 108 D CA -0.088 53.836 54.000 -0.126 0.000 0.876 108 D CB 1.450 42.157 40.800 -0.154 0.000 1.176 108 D HN 0.292 nan 8.370 nan 0.000 0.446 109 A N 3.129 125.899 122.820 -0.084 0.000 2.477 109 A HA 0.311 4.632 4.320 0.001 0.000 0.246 109 A C 0.277 177.821 177.584 -0.066 0.000 1.078 109 A CA -0.064 51.932 52.037 -0.068 0.000 0.770 109 A CB 0.050 19.023 19.000 -0.045 0.000 1.011 109 A HN 0.589 nan 8.150 nan 0.000 0.494 110 I N 3.885 124.418 120.570 -0.062 0.000 2.362 110 I HA 0.288 4.459 4.170 0.001 0.000 0.289 110 I C -2.274 173.797 176.117 -0.076 0.000 0.994 110 I CA -2.327 58.948 61.300 -0.041 0.000 1.158 110 I CB 2.076 40.053 38.000 -0.038 0.000 1.315 110 I HN 0.397 nan 8.210 nan 0.000 0.451 111 P HA 0.029 nan 4.420 nan 0.000 0.264 111 P C -0.702 176.204 177.300 -0.658 0.000 1.193 111 P CA -0.233 62.771 63.100 -0.160 0.000 0.763 111 P CB 0.314 32.082 31.700 0.114 0.000 0.810 112 C N 2.484 121.460 119.300 -0.540 0.000 3.213 112 C HA 0.973 5.434 4.460 0.001 0.000 0.319 112 C C -0.609 174.180 174.990 -0.336 0.000 1.386 112 C CA -0.977 57.649 59.018 -0.654 0.000 1.494 112 C CB 2.144 29.663 27.740 -0.369 0.000 1.905 112 C HN 0.785 nan 8.230 nan 0.000 0.456 113 R N 0.664 121.050 120.500 -0.190 0.000 2.710 113 R HA 0.762 5.102 4.340 0.001 0.000 0.270 113 R C -0.746 175.508 176.300 -0.077 0.000 1.021 113 R CA -0.254 55.820 56.100 -0.043 0.000 0.889 113 R CB 1.202 31.578 30.300 0.126 0.000 1.243 113 R HN 1.498 nan 8.270 nan 0.000 0.464 114 A N 1.597 124.387 122.820 -0.050 0.000 2.511 114 A HA 0.493 4.814 4.320 0.001 0.000 0.242 114 A C 0.570 178.195 177.584 0.069 0.000 1.069 114 A CA 0.207 52.259 52.037 0.024 0.000 0.763 114 A CB -0.111 19.018 19.000 0.215 0.000 1.001 114 A HN 0.920 nan 8.150 nan 0.000 0.498 115 A N 3.154 126.016 122.820 0.072 0.000 2.466 115 A HA 0.383 4.703 4.320 0.001 0.000 0.238 115 A C 0.839 178.472 177.584 0.080 0.000 1.074 115 A CA -0.260 51.820 52.037 0.072 0.000 0.774 115 A CB 0.016 19.054 19.000 0.063 0.000 1.015 115 A HN 0.904 nan 8.150 nan 0.000 0.498 116 R N 0.177 120.716 120.500 0.064 0.000 2.538 116 R HA 0.200 4.540 4.340 0.001 0.000 0.273 116 R C 1.378 177.713 176.300 0.058 0.000 0.967 116 R CA 1.384 57.517 56.100 0.056 0.000 1.101 116 R CB -0.114 30.211 30.300 0.042 0.000 0.908 116 R HN 1.650 nan 8.270 nan 0.000 0.411 117 G N 2.011 110.843 108.800 0.054 0.000 2.155 117 G HA2 -0.282 3.678 3.960 0.001 0.000 0.257 117 G HA3 -0.282 3.678 3.960 0.001 0.000 0.257 117 G C -0.233 174.706 174.900 0.064 0.000 0.983 117 G CA 0.006 45.135 45.100 0.049 0.000 0.676 117 G HN 0.434 nan 8.290 nan 0.000 0.528 118 L N 1.345 122.623 121.223 0.093 0.000 2.287 118 L HA 0.489 4.829 4.340 0.001 0.000 0.280 118 L C 1.178 178.121 176.870 0.123 0.000 1.055 118 L CA -0.502 54.416 54.840 0.131 0.000 0.863 118 L CB 0.269 42.449 42.059 0.202 0.000 1.245 118 L HN 0.151 nan 8.230 nan 0.000 0.432 119 N N 1.392 120.135 118.700 0.070 0.000 2.396 119 N HA -0.141 4.599 4.740 0.001 0.000 0.180 119 N C 0.312 175.810 175.510 -0.020 0.000 1.028 119 N CA 0.331 53.396 53.050 0.026 0.000 0.893 119 N CB -0.143 38.347 38.487 0.005 0.000 0.967 119 N HN 0.641 nan 8.380 nan 0.000 0.440 120 H N 1.416 120.384 119.070 -0.170 0.000 2.897 120 H HA 0.186 4.742 4.556 0.001 0.000 0.347 120 H C 0.090 175.189 175.328 -0.381 0.000 1.068 120 H CA 0.415 56.217 56.048 -0.410 0.000 1.426 120 H CB 0.409 29.714 29.762 -0.763 0.000 1.410 120 H HN 0.152 nan 8.280 nan 0.000 0.597 121 E N 5.849 125.434 120.200 -1.024 0.000 2.014 121 E HA 0.248 4.598 4.350 0.001 0.000 0.275 121 E C -0.975 175.114 176.600 -0.853 0.000 0.997 121 E CA -0.612 55.386 56.400 -0.671 0.000 0.804 121 E CB -0.310 29.164 29.700 -0.377 0.000 1.090 121 E HN 0.531 nan 8.360 nan 0.000 0.401 122 F N 2.322 122.070 119.950 -0.337 0.000 2.506 122 F HA 0.212 4.740 4.527 0.000 0.000 0.371 122 F C 1.329 177.110 175.800 -0.031 0.000 1.078 122 F CA 0.136 58.120 58.000 -0.027 0.000 1.195 122 F CB 0.960 40.029 39.000 0.116 0.000 1.099 122 F HN 0.534 nan 8.300 nan 0.000 0.548 123 K N 1.295 121.798 120.400 0.172 0.000 2.288 123 K HA 0.491 4.811 4.320 0.001 0.000 0.234 123 K C -0.669 176.021 176.600 0.151 0.000 1.037 123 K CA -1.116 55.236 56.287 0.109 0.000 0.914 123 K CB 0.647 33.177 32.500 0.051 0.000 1.197 123 K HN 0.371 nan 8.250 nan 0.000 0.471 124 E N -0.538 119.720 120.200 0.097 0.000 2.415 124 E HA 0.149 4.499 4.350 0.001 0.000 0.260 124 E C 0.467 177.125 176.600 0.096 0.000 1.016 124 E CA 1.638 58.085 56.400 0.078 0.000 0.924 124 E CB 0.001 29.732 29.700 0.053 0.000 0.961 124 E HN 0.800 nan 8.360 nan 0.000 0.459 125 G N 3.750 112.587 108.800 0.062 0.000 2.195 125 G HA2 -0.221 3.740 3.960 0.001 0.000 0.224 125 G HA3 -0.221 3.740 3.960 0.001 0.000 0.224 125 G C -0.292 174.631 174.900 0.038 0.000 0.990 125 G CA -0.094 45.024 45.100 0.031 0.000 0.639 125 G HN 0.602 nan 8.290 nan 0.000 0.514 126 D N 0.129 120.632 120.400 0.172 0.000 2.424 126 D HA 0.390 5.030 4.640 0.001 0.000 0.244 126 D C 0.268 176.688 176.300 0.200 0.000 1.134 126 D CA 0.123 54.333 54.000 0.349 0.000 0.881 126 D CB 0.361 41.511 40.800 0.584 0.000 1.191 126 D HN 0.297 nan 8.370 nan 0.000 0.445 127 W N 1.358 122.798 121.300 0.234 0.000 2.316 127 W HA 0.523 5.183 4.660 0.001 0.000 0.311 127 W C 0.206 176.827 176.519 0.170 0.000 1.217 127 W CA -0.449 56.982 57.345 0.143 0.000 1.199 127 W CB 0.954 30.440 29.460 0.044 0.000 1.202 127 W HN 0.270 nan 8.180 nan 0.000 0.528 128 A N 2.344 125.370 122.820 0.343 0.000 2.454 128 A HA 0.779 5.099 4.320 0.001 0.000 0.302 128 A C -1.294 176.341 177.584 0.085 0.000 1.079 128 A CA -0.796 51.384 52.037 0.239 0.000 0.731 128 A CB 1.087 20.147 19.000 0.101 0.000 1.299 128 A HN 0.335 nan 8.150 nan 0.000 0.413 129 V N 1.053 120.980 119.914 0.021 0.000 2.498 129 V HA 0.614 4.734 4.120 0.001 0.000 0.279 129 V C 0.616 176.573 176.094 -0.228 0.000 1.048 129 V CA 0.546 62.785 62.300 -0.102 0.000 0.967 129 V CB 0.878 32.676 31.823 -0.041 0.000 0.988 129 V HN 1.317 nan 8.190 nan 0.000 0.473 130 A N 4.732 127.257 122.820 -0.492 0.000 2.515 130 A HA 0.889 5.209 4.320 0.001 0.000 0.296 130 A C -0.654 176.619 177.584 -0.519 0.000 1.094 130 A CA -0.738 50.934 52.037 -0.608 0.000 0.718 130 A CB 1.725 20.102 19.000 -1.039 0.000 1.307 130 A HN 0.766 nan 8.150 nan 0.000 0.408 134 R N 0.929 121.562 120.500 0.222 0.000 2.795 134 R HA 0.543 4.884 4.340 0.001 0.000 0.275 134 R C -0.979 175.404 176.300 0.137 0.000 0.981 134 R CA -0.640 55.550 56.100 0.150 0.000 0.917 134 R CB 2.054 32.415 30.300 0.102 0.000 1.202 134 R HN 0.075 nan 8.270 nan 0.000 0.469 135 H N 2.007 121.019 119.070 -0.097 0.000 3.026 135 H HA 0.244 4.801 4.556 0.001 0.000 0.352 135 H C -2.228 172.895 175.328 -0.342 0.000 1.090 135 H CA -1.633 54.237 56.048 -0.297 0.000 1.268 135 H CB 2.809 32.511 29.762 -0.100 0.000 1.816 135 H HN 0.092 nan 8.280 nan 0.000 0.518 136 P HA -0.089 nan 4.420 nan 0.000 0.216 136 P C 1.583 178.858 177.300 -0.042 0.000 1.150 136 P CA 1.060 63.987 63.100 -0.288 0.000 0.843 136 P CB 0.371 31.811 31.700 -0.435 0.000 0.787 137 L N -1.165 120.177 121.223 0.198 0.000 2.552 137 L HA -0.031 4.309 4.340 0.001 0.000 0.227 137 L C 1.606 178.487 176.870 0.019 0.000 1.146 137 L CA 0.980 55.879 54.840 0.099 0.000 0.858 137 L CB -0.454 41.654 42.059 0.081 0.000 0.969 137 L HN -0.005 nan 8.230 nan 0.000 0.451 138 K N 0.000 120.414 120.400 0.024 0.000 2.417 138 K HA 0.215 4.536 4.320 0.001 0.000 0.196 138 K C 1.005 177.597 176.600 -0.014 0.000 1.023 138 K CA 0.541 56.822 56.287 -0.010 0.000 1.122 138 K CB 0.620 33.118 32.500 -0.004 0.000 0.850 138 K HN 0.283 nan 8.250 nan 0.000 0.521 139 G N 2.059 110.846 108.800 -0.021 0.000 2.131 139 G HA2 -0.155 3.806 3.960 0.001 0.000 0.201 139 G HA3 -0.155 3.806 3.960 0.001 0.000 0.201 139 G C -0.641 174.234 174.900 -0.041 0.000 1.000 139 G CA -0.389 44.692 45.100 -0.032 0.000 0.680 139 G HN 0.256 nan 8.290 nan 0.000 0.514 140 D N -1.075 119.294 120.400 -0.053 0.000 2.272 140 D HA 0.429 5.069 4.640 0.001 0.000 0.247 140 D C 1.261 177.510 176.300 -0.085 0.000 0.990 140 D CA -0.704 53.258 54.000 -0.063 0.000 0.931 140 D CB 1.410 42.176 40.800 -0.057 0.000 1.195 140 D HN 0.146 nan 8.370 nan 0.000 0.477 141 R N 0.458 120.916 120.500 -0.070 0.000 2.090 141 R HA -0.062 4.278 4.340 0.001 0.000 0.228 141 R C 0.593 176.850 176.300 -0.071 0.000 1.110 141 R CA 0.970 57.033 56.100 -0.061 0.000 0.973 141 R CB 0.243 30.519 30.300 -0.040 0.000 0.869 141 R HN 0.490 nan 8.270 nan 0.000 0.440 142 S N -1.959 113.703 115.700 -0.063 0.000 2.685 142 S HA 0.383 4.853 4.470 0.001 0.000 0.282 142 S C -0.472 174.074 174.600 -0.091 0.000 1.159 142 S CA -1.101 57.064 58.200 -0.059 0.000 0.833 142 S CB 0.715 63.959 63.200 0.073 0.000 1.151 142 S HN 0.070 nan 8.310 nan 0.000 0.485 143 F N 1.122 121.071 119.950 -0.000 0.000 2.602 143 F HA 0.432 4.960 4.527 0.000 0.000 0.367 143 F C 0.108 175.999 175.800 0.153 0.000 1.126 143 F CA 0.779 58.787 58.000 0.013 0.000 1.321 143 F CB 0.228 39.188 39.000 -0.067 0.000 1.094 143 F HN 0.637 nan 8.300 nan 0.000 0.594 144 Y N 1.379 121.801 120.300 0.204 0.000 2.521 144 Y HA 0.609 5.159 4.550 0.000 0.000 0.332 144 Y C -1.179 174.814 175.900 0.155 0.000 1.121 144 Y CA -1.152 57.032 58.100 0.139 0.000 1.037 144 Y CB 1.404 39.912 38.460 0.080 0.000 1.330 144 Y HN 0.716 nan 8.280 nan 0.000 0.452 145 A N 3.774 126.454 122.820 -0.235 0.000 2.498 145 A HA 0.667 4.988 4.320 0.001 0.000 0.298 145 A C -1.579 175.911 177.584 -0.157 0.000 1.075 145 A CA -0.852 51.168 52.037 -0.029 0.000 0.714 145 A CB 1.828 20.900 19.000 0.120 0.000 1.299 145 A HN 0.697 nan 8.150 nan 0.000 0.407 146 E N 1.285 121.476 120.200 -0.015 0.000 2.156 146 E HA 0.527 4.878 4.350 0.001 0.000 0.279 146 E C -1.138 175.393 176.600 -0.115 0.000 0.965 146 E CA -0.476 55.906 56.400 -0.030 0.000 0.789 146 E CB 0.696 30.428 29.700 0.053 0.000 1.098 146 E HN 0.577 nan 8.360 nan 0.000 0.397 147 L N 4.491 125.608 121.223 -0.177 0.000 2.361 147 L HA 0.158 4.498 4.340 0.001 0.000 0.278 147 L C 1.366 178.201 176.870 -0.058 0.000 1.113 147 L CA -0.065 54.646 54.840 -0.216 0.000 0.849 147 L CB 0.614 42.383 42.059 -0.484 0.000 1.155 147 L HN 0.733 nan 8.230 nan 0.000 0.452 148 T N -0.813 113.724 114.554 -0.028 0.000 3.023 148 T HA 0.136 4.486 4.350 0.001 0.000 0.253 148 T C 0.387 175.141 174.700 0.089 0.000 1.038 148 T CA -0.106 62.013 62.100 0.032 0.000 0.962 148 T CB 0.447 69.315 68.868 0.000 0.000 1.018 148 T HN 0.610 nan 8.240 nan 0.000 0.521 149 Q N -0.284 119.601 119.800 0.141 0.000 2.503 149 Q HA 0.361 4.701 4.340 0.001 0.000 0.268 149 Q C -2.338 173.836 176.000 0.290 0.000 0.982 149 Q CA -0.970 54.934 55.803 0.169 0.000 0.907 149 Q CB 1.939 30.718 28.738 0.069 0.000 1.467 149 Q HN 0.391 nan 8.270 nan 0.000 0.394 150 Y N 4.567 124.922 120.300 0.092 0.000 2.326 150 Y HA 0.415 4.966 4.550 0.001 0.000 0.337 150 Y C -0.239 175.622 175.900 -0.065 0.000 1.023 150 Y CA -0.110 57.966 58.100 -0.040 0.000 1.143 150 Y CB 0.640 38.724 38.460 -0.627 0.000 1.183 150 Y HN 0.751 nan 8.280 nan 0.000 0.485 151 I N 2.699 123.003 120.570 -0.444 0.000 2.522 151 I HA 0.089 4.260 4.170 0.001 0.000 0.240 151 I C 0.610 176.205 176.117 -0.869 0.000 1.078 151 I CA 0.775 61.804 61.300 -0.451 0.000 1.422 151 I CB 0.207 38.156 38.000 -0.086 0.000 1.188 151 I HN 0.644 nan 8.210 nan 0.000 0.442 152 T N -0.737 113.339 114.554 -0.797 0.000 2.722 152 T HA 0.309 4.659 4.350 0.001 0.000 0.314 152 T C -1.431 173.330 174.700 0.102 0.000 1.675 152 T CA -0.793 60.987 62.100 -0.534 0.000 1.003 152 T CB 0.539 69.217 68.868 -0.317 0.000 1.602 152 T HN 0.090 nan 8.240 nan 0.000 0.496 153 F N 0.730 120.847 119.950 0.277 0.000 2.440 153 F HA 0.632 5.160 4.527 0.001 0.000 0.323 153 F C 1.386 177.394 175.800 0.346 0.000 1.192 153 F CA -0.009 58.197 58.000 0.344 0.000 1.252 153 F CB -0.093 39.071 39.000 0.274 0.000 1.214 153 F HN 0.569 nan 8.300 nan 0.000 0.578 154 G N -0.533 108.545 108.800 0.463 0.000 2.394 154 G HA2 -0.067 3.893 3.960 0.001 0.000 0.215 154 G HA3 -0.067 3.893 3.960 0.001 0.000 0.215 154 G C 1.012 176.100 174.900 0.314 0.000 1.165 154 G CA 0.655 45.965 45.100 0.349 0.000 0.784 154 G HN 0.945 nan 8.290 nan 0.000 0.535 155 D N 0.357 120.968 120.400 0.352 0.000 2.319 155 D HA 0.192 4.832 4.640 0.001 0.000 0.230 155 D C 0.652 177.065 176.300 0.188 0.000 1.094 155 D CA 0.192 54.358 54.000 0.276 0.000 0.856 155 D CB -0.304 40.662 40.800 0.278 0.000 0.915 155 D HN 0.262 nan 8.370 nan 0.000 0.517 156 D N -0.136 120.192 120.400 -0.120 0.000 2.434 156 D HA -0.111 4.530 4.640 0.001 0.000 0.252 156 D C 1.199 177.359 176.300 -0.233 0.000 1.185 156 D CA -0.097 53.618 54.000 -0.475 0.000 0.886 156 D CB 0.295 40.460 40.800 -1.059 0.000 1.148 156 D HN 0.474 nan 8.370 nan 0.000 0.483 157 H N 4.051 122.922 119.070 -0.332 0.000 2.457 157 H HA -0.170 4.386 4.556 0.000 0.000 0.297 157 H C 0.663 175.645 175.328 -0.576 0.000 1.092 157 H CA 1.151 56.899 56.048 -0.500 0.000 1.309 157 H CB 0.142 29.490 29.762 -0.689 0.000 1.382 157 H HN 0.472 nan 8.280 nan 0.000 0.535 158 F N -0.604 119.250 119.950 -0.160 0.000 2.693 158 F HA 0.067 4.594 4.527 0.001 0.000 0.303 158 F C 2.160 177.733 175.800 -0.378 0.000 1.097 158 F CA -0.378 57.500 58.000 -0.204 0.000 1.330 158 F CB 0.218 39.058 39.000 -0.267 0.000 1.067 158 F HN -0.083 nan 8.300 nan 0.000 0.565 159 V N 1.794 121.476 119.914 -0.387 0.000 2.317 159 V HA -0.284 3.837 4.120 0.001 0.000 0.251 159 V C -0.277 175.179 176.094 -1.064 0.000 1.065 159 V CA 2.247 64.143 62.300 -0.674 0.000 1.049 159 V CB -1.241 30.137 31.823 -0.740 0.000 0.651 159 V HN 0.223 nan 8.190 nan 0.000 0.450 160 P HA -0.163 nan 4.420 nan 0.000 0.215 160 P C 1.596 178.238 177.300 -1.096 0.000 1.153 160 P CA 1.729 63.760 63.100 -1.782 0.000 0.853 160 P CB -0.134 30.512 31.700 -1.757 0.000 0.788 161 W N -1.518 119.304 121.300 -0.797 0.000 2.378 161 W HA -0.092 4.569 4.660 0.000 0.000 0.313 161 W C 2.337 178.523 176.519 -0.556 0.000 1.197 161 W CA 1.028 57.936 57.345 -0.729 0.000 1.304 161 W CB -1.564 27.234 29.460 -1.104 0.000 1.148 161 W HN 0.077 nan 8.180 nan 0.000 0.494 162 W N 0.236 121.465 121.300 -0.118 0.000 2.379 162 W HA -0.158 4.502 4.660 0.000 0.000 0.307 162 W C 2.298 178.669 176.519 -0.247 0.000 1.200 162 W CA 0.423 57.658 57.345 -0.183 0.000 1.297 162 W CB -1.203 28.113 29.460 -0.240 0.000 1.140 162 W HN -0.409 nan 8.180 nan 0.000 0.507 163 V N 0.589 120.376 119.914 -0.213 0.000 2.343 163 V HA -0.301 3.819 4.120 0.001 0.000 0.247 163 V C 2.085 178.084 176.094 -0.159 0.000 1.051 163 V CA 2.400 64.521 62.300 -0.298 0.000 1.036 163 V CB -1.379 30.012 31.823 -0.720 0.000 0.654 163 V HN 0.231 nan 8.190 nan 0.000 0.451 164 T N 0.504 114.965 114.554 -0.155 0.000 2.737 164 T HA -0.122 4.228 4.350 0.001 0.000 0.265 164 T C 1.907 176.615 174.700 0.014 0.000 1.038 164 T CA 1.527 63.588 62.100 -0.065 0.000 1.144 164 T CB -0.328 68.513 68.868 -0.045 0.000 0.866 164 T HN 0.289 nan 8.240 nan 0.000 0.434 165 L N 0.907 122.170 121.223 0.067 0.000 2.046 165 L HA -0.084 4.257 4.340 0.001 0.000 0.208 165 L C 2.971 179.894 176.870 0.090 0.000 1.077 165 L CA 1.392 56.313 54.840 0.135 0.000 0.747 165 L CB -0.625 41.568 42.059 0.223 0.000 0.896 165 L HN 0.235 nan 8.230 nan 0.000 0.432 166 A N 0.619 123.468 122.820 0.050 0.000 1.930 166 A HA -0.186 4.134 4.320 0.001 0.000 0.217 166 A C 2.388 179.955 177.584 -0.028 0.000 1.175 166 A CA 1.469 53.516 52.037 0.016 0.000 0.627 166 A CB -0.574 18.430 19.000 0.007 0.000 0.815 166 A HN 0.516 nan 8.150 nan 0.000 0.443 167 R N -1.410 119.024 120.500 -0.109 0.000 2.152 167 R HA -0.139 4.201 4.340 0.001 0.000 0.232 167 R C 0.872 177.014 176.300 -0.263 0.000 1.117 167 R CA 1.765 57.736 56.100 -0.216 0.000 0.981 167 R CB -0.540 29.581 30.300 -0.297 0.000 0.870 167 R HN 0.584 nan 8.270 nan 0.000 0.451 168 H N -0.127 118.965 119.070 0.037 0.000 2.755 168 H HA 0.140 4.697 4.556 0.001 0.000 0.273 168 H C -0.140 175.204 175.328 0.026 0.000 1.055 168 H CA -0.304 55.762 56.048 0.029 0.000 1.191 168 H CB 0.250 30.026 29.762 0.024 0.000 1.536 168 H HN 0.194 nan 8.280 nan 0.000 0.529 169 N N 1.170 119.931 118.700 0.102 0.000 2.708 169 N HA -0.172 4.568 4.740 0.001 0.000 0.255 169 N C -1.090 174.466 175.510 0.078 0.000 1.046 169 N CA 0.230 53.322 53.050 0.071 0.000 0.715 169 N CB -1.498 37.021 38.487 0.053 0.000 0.895 169 N HN 0.351 nan 8.380 nan 0.000 0.545 170 L N 0.642 121.922 121.223 0.094 0.000 2.334 170 L HA 0.424 4.764 4.340 0.001 0.000 0.273 170 L C 0.719 177.634 176.870 0.074 0.000 1.013 170 L CA -1.104 53.785 54.840 0.083 0.000 0.816 170 L CB 1.249 43.370 42.059 0.102 0.000 1.278 170 L HN 0.132 nan 8.230 nan 0.000 0.431 171 E N 1.332 121.560 120.200 0.047 0.000 2.481 171 E HA -0.040 4.310 4.350 0.001 0.000 0.263 171 E C -0.002 176.644 176.600 0.076 0.000 0.992 171 E CA 0.591 57.014 56.400 0.038 0.000 0.938 171 E CB 0.443 30.145 29.700 0.003 0.000 0.933 171 E HN 0.354 nan 8.360 nan 0.000 0.453 172 K N 1.798 122.260 120.400 0.103 0.000 2.355 172 K HA 0.088 4.408 4.320 0.001 0.000 0.198 172 K C -0.084 176.639 176.600 0.204 0.000 1.039 172 K CA 0.182 56.603 56.287 0.224 0.000 1.075 172 K CB 0.403 33.054 32.500 0.251 0.000 0.870 172 K HN 0.585 nan 8.250 nan 0.000 0.540 173 E N -0.429 119.816 120.200 0.075 0.000 2.460 173 E HA 0.604 4.954 4.350 0.001 0.000 0.277 173 E C -1.272 175.311 176.600 -0.029 0.000 1.010 173 E CA -1.276 55.145 56.400 0.035 0.000 0.838 173 E CB 0.918 30.644 29.700 0.043 0.000 1.448 173 E HN -0.061 nan 8.360 nan 0.000 0.462 174 A N 1.001 123.794 122.820 -0.046 0.000 2.366 174 A HA 0.459 4.780 4.320 0.001 0.000 0.249 174 A C -2.025 175.531 177.584 -0.046 0.000 1.084 174 A CA -0.925 51.073 52.037 -0.064 0.000 0.794 174 A CB -0.549 18.410 19.000 -0.069 0.000 1.034 174 A HN 0.513 nan 8.150 nan 0.000 0.491 175 P HA 0.208 nan 4.420 nan 0.000 0.274 175 P C -0.990 176.290 177.300 -0.033 0.000 1.237 175 P CA -0.359 62.717 63.100 -0.039 0.000 0.793 175 P CB 0.553 32.227 31.700 -0.042 0.000 0.977 176 D N -0.089 120.295 120.400 -0.027 0.000 2.255 176 D HA 0.518 5.158 4.640 0.001 0.000 0.249 176 D C 0.575 176.864 176.300 -0.019 0.000 1.078 176 D CA 0.596 54.582 54.000 -0.022 0.000 0.896 176 D CB 1.193 41.982 40.800 -0.018 0.000 1.194 176 D HN 0.621 nan 8.370 nan 0.000 0.429 177 G N -0.278 108.512 108.800 -0.017 0.000 2.341 177 G HA2 0.261 4.222 3.960 0.001 0.000 0.300 177 G HA3 0.261 4.222 3.960 0.001 0.000 0.300 177 G C -0.563 174.332 174.900 -0.009 0.000 1.706 177 G CA -0.899 44.196 45.100 -0.009 0.000 0.916 177 G HN 0.365 nan 8.290 nan 0.000 0.716 178 V N 0.051 119.965 119.914 -0.001 0.000 2.529 178 V HA 0.591 4.712 4.120 0.001 0.000 0.292 178 V C 0.995 177.098 176.094 0.013 0.000 1.028 178 V CA 0.079 62.381 62.300 0.003 0.000 1.074 178 V CB 0.731 32.560 31.823 0.011 0.000 0.958 178 V HN 1.975 nan 8.190 nan 0.000 0.481 179 A N 4.514 127.334 122.820 -0.002 0.000 2.316 179 A HA 0.645 4.965 4.320 0.001 0.000 0.311 179 A C 0.810 178.430 177.584 0.060 0.000 1.339 179 A CA 0.183 52.226 52.037 0.011 0.000 0.960 179 A CB -0.002 18.944 19.000 -0.091 0.000 1.152 179 A HN 1.242 nan 8.150 nan 0.000 0.547 180 T N 0.276 114.912 114.554 0.138 0.000 3.210 180 T HA 0.719 5.070 4.350 0.001 0.000 0.290 180 T C 0.814 175.660 174.700 0.243 0.000 1.229 180 T CA 0.457 62.642 62.100 0.141 0.000 0.920 180 T CB -0.307 68.618 68.868 0.096 0.000 2.279 180 T HN 0.968 nan 8.240 nan 0.000 0.552 184 D N 0.440 120.780 120.400 -0.099 0.000 2.780 184 D HA 0.575 5.215 4.640 0.001 0.000 0.242 184 D C -0.983 175.280 176.300 -0.063 0.000 1.135 184 D CA -0.039 53.910 54.000 -0.086 0.000 0.859 184 D CB 3.217 43.973 40.800 -0.072 0.000 1.530 184 D HN 0.658 nan 8.370 nan 0.000 0.493 185 E N 0.590 120.754 120.200 -0.060 0.000 2.909 185 E HA 0.400 4.750 4.350 0.001 0.000 0.119 185 E C 0.135 176.711 176.600 -0.039 0.000 1.056 185 E CA -0.736 55.637 56.400 -0.045 0.000 0.788 185 E CB 0.620 30.294 29.700 -0.043 0.000 2.111 185 E HN 0.337 nan 8.360 nan 0.000 0.447 186 G N 1.865 110.645 108.800 -0.033 0.000 3.353 186 G HA2 0.216 4.176 3.960 0.001 0.000 0.247 186 G HA3 0.216 4.176 3.960 0.001 0.000 0.247 186 G C 0.029 174.913 174.900 -0.027 0.000 1.025 186 G CA -0.042 45.041 45.100 -0.027 0.000 1.863 186 G HN 0.136 nan 8.290 nan 0.000 0.635 187 L N 1.196 122.398 121.223 -0.035 0.000 2.416 187 L HA 0.075 4.416 4.340 0.001 0.000 0.243 187 L C 0.601 177.458 176.870 -0.022 0.000 1.373 187 L CA -0.477 54.340 54.840 -0.038 0.000 1.227 187 L CB 0.293 42.316 42.059 -0.060 0.000 1.428 187 L HN -0.013 nan 8.230 nan 0.000 0.425 188 V N 1.886 121.796 119.914 -0.007 0.000 2.085 188 V HA -0.024 4.097 4.120 0.001 0.000 0.282 188 V C 1.194 177.304 176.094 0.027 0.000 1.787 188 V CA 0.114 62.417 62.300 0.005 0.000 1.715 188 V CB -1.385 30.443 31.823 0.007 0.000 1.501 188 V HN 0.613 nan 8.190 nan 0.000 0.506 189 R N 2.090 122.599 120.500 0.014 0.000 2.345 189 R HA 0.159 4.500 4.340 0.001 0.000 0.331 189 R C 0.490 176.817 176.300 0.045 0.000 1.067 189 R CA -0.079 56.039 56.100 0.030 0.000 0.962 189 R CB 0.401 30.697 30.300 -0.007 0.000 0.987 189 R HN 0.574 nan 8.270 nan 0.000 0.451 190 E N 2.414 122.676 120.200 0.103 0.000 2.413 190 E HA -0.107 4.243 4.350 0.001 0.000 0.263 190 E C -0.539 176.100 176.600 0.065 0.000 1.015 190 E CA -0.067 56.381 56.400 0.080 0.000 0.916 190 E CB 0.694 30.453 29.700 0.099 0.000 0.947 190 E HN 0.418 nan 8.360 nan 0.000 0.440 191 D N 5.268 125.686 120.400 0.030 0.000 2.456 191 D HA 0.093 4.733 4.640 0.001 0.000 0.219 191 D C 0.284 176.599 176.300 0.025 0.000 1.126 191 D CA -0.170 53.841 54.000 0.019 0.000 0.890 191 D CB 0.413 41.215 40.800 0.005 0.000 1.025 191 D HN 0.483 nan 8.370 nan 0.000 0.511 192 L N 2.928 124.179 121.223 0.046 0.000 2.653 192 L HA 0.039 4.380 4.340 0.001 0.000 0.231 192 L C 2.149 179.068 176.870 0.082 0.000 1.153 192 L CA -0.138 54.749 54.840 0.079 0.000 0.933 192 L CB -0.006 42.183 42.059 0.216 0.000 1.175 192 L HN 0.274 nan 8.230 nan 0.000 0.473 193 T N 1.147 115.723 114.554 0.037 0.000 2.649 193 T HA -0.349 4.001 4.350 0.001 0.000 0.268 193 T C 2.138 176.867 174.700 0.049 0.000 1.036 193 T CA 2.093 64.216 62.100 0.038 0.000 1.157 193 T CB -0.100 68.778 68.868 0.017 0.000 0.861 193 T HN 0.560 nan 8.240 nan 0.000 0.445 194 A N 1.071 123.904 122.820 0.021 0.000 1.948 194 A HA 0.023 4.343 4.320 0.001 0.000 0.220 194 A C 1.170 178.752 177.584 -0.003 0.000 1.177 194 A CA 1.022 53.064 52.037 0.008 0.000 0.636 194 A CB -0.828 18.167 19.000 -0.009 0.000 0.815 194 A HN 0.526 nan 8.150 nan 0.000 0.449 195 L N 0.637 121.825 121.223 -0.057 0.000 2.439 195 L HA 0.083 4.424 4.340 0.001 0.000 0.269 195 L C -0.384 176.465 176.870 -0.035 0.000 1.179 195 L CA -0.595 54.098 54.840 -0.245 0.000 0.828 195 L CB 0.263 41.811 42.059 -0.851 0.000 1.106 195 L HN 0.168 nan 8.230 nan 0.000 0.467 196 D N 2.740 123.210 120.400 0.116 0.000 2.745 196 D HA 0.137 4.777 4.640 0.001 0.000 0.229 196 D C -0.150 176.275 176.300 0.208 0.000 1.088 196 D CA 0.362 54.489 54.000 0.210 0.000 1.054 196 D CB -0.538 40.391 40.800 0.214 0.000 1.132 196 D HN 0.105 nan 8.370 nan 0.000 0.464 197 F N 0.182 120.246 119.950 0.190 0.000 2.450 197 F HA 0.262 4.789 4.527 0.001 0.000 0.339 197 F C 0.871 176.735 175.800 0.107 0.000 1.146 197 F CA -0.120 57.978 58.000 0.165 0.000 1.267 197 F CB 0.944 39.993 39.000 0.082 0.000 1.178 197 F HN -0.139 nan 8.300 nan 0.000 0.585 198 V N 1.261 121.351 119.914 0.294 0.000 3.087 198 V HA 0.597 4.718 4.120 0.001 0.000 0.306 198 V C -1.110 175.057 176.094 0.121 0.000 1.187 198 V CA -0.534 61.858 62.300 0.153 0.000 0.999 198 V CB 2.775 34.656 31.823 0.096 0.000 1.049 198 V HN 0.831 nan 8.190 nan 0.000 0.431 199 T N 3.169 117.754 114.554 0.051 0.000 2.840 199 T HA 0.711 5.061 4.350 0.001 0.000 0.287 199 T C -0.866 173.791 174.700 -0.072 0.000 0.991 199 T CA -0.395 61.705 62.100 -0.000 0.000 0.964 199 T CB 0.979 69.837 68.868 -0.016 0.000 0.954 199 T HN 0.453 nan 8.240 nan 0.000 0.438 200 I N 3.621 124.124 120.570 -0.112 0.000 2.330 200 I HA 0.500 4.670 4.170 0.001 0.000 0.289 200 I C -0.291 175.506 176.117 -0.533 0.000 1.001 200 I CA -0.522 60.624 61.300 -0.255 0.000 1.193 200 I CB 1.093 39.010 38.000 -0.137 0.000 1.345 200 I HN 0.706 nan 8.210 nan 0.000 0.461 201 D N 3.305 123.278 120.400 -0.712 0.000 2.798 201 D HA 0.363 5.004 4.640 0.001 0.000 0.308 201 D C -0.786 175.059 176.300 -0.759 0.000 1.187 201 D CA -0.544 52.984 54.000 -0.786 0.000 1.033 201 D CB 1.930 42.541 40.800 -0.315 0.000 1.445 201 D HN 0.288 nan 8.370 nan 0.000 0.550 202 S N -0.139 115.392 115.700 -0.280 0.000 2.617 202 S HA 0.343 4.813 4.470 0.001 0.000 0.269 202 S C 1.065 175.621 174.600 -0.073 0.000 1.292 202 S CA -0.316 57.870 58.200 -0.023 0.000 1.010 202 S CB 1.520 64.779 63.200 0.099 0.000 0.944 202 S HN 0.552 nan 8.310 nan 0.000 0.536 203 A N 1.681 124.479 122.820 -0.037 0.000 2.015 203 A HA -0.080 4.240 4.320 0.001 0.000 0.219 203 A C 2.197 179.757 177.584 -0.039 0.000 1.163 203 A CA 1.656 53.659 52.037 -0.057 0.000 0.646 203 A CB -0.938 18.037 19.000 -0.042 0.000 0.806 203 A HN 0.803 nan 8.150 nan 0.000 0.448 204 S N 0.277 115.967 115.700 -0.017 0.000 2.336 204 S HA -0.068 4.402 4.470 0.001 0.000 0.216 204 S C 1.277 175.871 174.600 -0.012 0.000 1.032 204 S CA 0.891 59.088 58.200 -0.005 0.000 0.973 204 S CB -1.778 61.431 63.200 0.016 0.000 0.888 204 S HN 0.783 nan 8.310 nan 0.000 0.455 205 T N 1.397 115.942 114.554 -0.014 0.000 2.778 205 T HA 0.102 4.452 4.350 0.001 0.000 0.282 205 T C 0.563 175.245 174.700 -0.030 0.000 0.983 205 T CA 0.297 62.387 62.100 -0.016 0.000 1.193 205 T CB 0.447 69.301 68.868 -0.024 0.000 0.938 205 T HN 0.597 nan 8.240 nan 0.000 0.523 206 E N 1.631 121.817 120.200 -0.023 0.000 2.358 206 E HA -0.060 4.291 4.350 0.001 0.000 0.195 206 E C 0.637 177.217 176.600 -0.033 0.000 1.010 206 E CA 0.163 56.545 56.400 -0.029 0.000 0.856 206 E CB 0.254 29.938 29.700 -0.026 0.000 0.795 206 E HN 0.819 nan 8.360 nan 0.000 0.504 210 D N 0.819 121.198 120.400 -0.035 0.000 2.619 210 D HA 0.639 5.279 4.640 0.001 0.000 0.241 210 D C -0.712 175.591 176.300 0.006 0.000 1.087 210 D CA -0.735 53.245 54.000 -0.034 0.000 0.851 210 D CB 2.366 43.128 40.800 -0.064 0.000 1.474 210 D HN 0.209 nan 8.370 nan 0.000 0.478 211 A N 1.743 124.591 122.820 0.047 0.000 2.350 211 A HA 0.786 5.107 4.320 0.001 0.000 0.318 211 A C -0.880 176.875 177.584 0.285 0.000 1.132 211 A CA -0.828 51.301 52.037 0.154 0.000 0.811 211 A CB 1.313 20.405 19.000 0.153 0.000 1.313 211 A HN 0.581 nan 8.150 nan 0.000 0.454 212 L N 0.356 121.784 121.223 0.341 0.000 2.401 212 L HA 0.682 5.023 4.340 0.001 0.000 0.266 212 L C -1.279 175.689 176.870 0.163 0.000 0.991 212 L CA -0.377 54.619 54.840 0.259 0.000 0.818 212 L CB 2.191 44.319 42.059 0.116 0.000 1.321 212 L HN 0.756 nan 8.230 nan 0.000 0.413 213 F N 2.038 121.861 119.950 -0.211 0.000 2.561 213 F HA 0.827 5.355 4.527 0.001 0.000 0.313 213 F C -0.708 174.958 175.800 -0.224 0.000 1.126 213 F CA -0.423 57.288 58.000 -0.481 0.000 0.918 213 F CB 1.595 39.843 39.000 -1.253 0.000 1.199 213 F HN 0.499 nan 8.300 nan 0.000 0.444 214 A N 5.717 127.954 122.820 -0.972 0.000 2.350 214 A HA 0.857 5.178 4.320 0.001 0.000 0.318 214 A C -1.384 175.596 177.584 -1.006 0.000 1.132 214 A CA -0.776 50.834 52.037 -0.712 0.000 0.811 214 A CB 1.790 20.584 19.000 -0.344 0.000 1.313 214 A HN 0.765 nan 8.150 nan 0.000 0.454 215 K N 0.071 120.183 120.400 -0.480 0.000 2.542 215 K HA 0.596 4.917 4.320 0.001 0.000 0.259 215 K C -1.060 175.463 176.600 -0.129 0.000 0.932 215 K CA -0.511 55.602 56.287 -0.290 0.000 0.820 215 K CB 2.189 34.626 32.500 -0.106 0.000 1.345 215 K HN 1.026 nan 8.250 nan 0.000 0.432 216 A N 4.362 127.131 122.820 -0.084 0.000 2.363 216 A HA 0.567 4.887 4.320 0.001 0.000 0.270 216 A C -0.620 176.951 177.584 -0.020 0.000 1.121 216 A CA -0.369 51.642 52.037 -0.044 0.000 0.800 216 A CB 0.175 19.155 19.000 -0.033 0.000 1.052 216 A HN 0.595 nan 8.150 nan 0.000 0.493 217 L N 2.441 123.656 121.223 -0.013 0.000 2.301 217 L HA 0.488 4.828 4.340 0.001 0.000 0.264 217 L C -2.284 174.587 176.870 0.000 0.000 1.016 217 L CA -2.318 52.521 54.840 -0.002 0.000 0.821 217 L CB 2.207 44.267 42.059 0.001 0.000 1.346 217 L HN 0.445 nan 8.230 nan 0.000 0.429 218 P HA 0.176 nan 4.420 nan 0.000 0.272 218 P C -1.205 176.099 177.300 0.005 0.000 1.223 218 P CA 0.099 63.201 63.100 0.004 0.000 0.784 218 P CB 0.307 32.009 31.700 0.004 0.000 0.923 219 D N 0.140 120.543 120.400 0.006 0.000 2.809 219 D HA -0.153 4.488 4.640 0.001 0.000 0.234 219 D C -0.028 176.278 176.300 0.011 0.000 1.111 219 D CA 1.175 55.181 54.000 0.009 0.000 0.726 219 D CB -2.302 38.505 40.800 0.011 0.000 1.089 219 D HN 0.620 nan 8.370 nan 0.000 0.436 220 D N -0.726 119.680 120.400 0.009 0.000 2.737 220 D HA -0.247 4.394 4.640 0.001 0.000 0.233 220 D C -0.244 176.063 176.300 0.010 0.000 1.155 220 D CA 1.253 55.259 54.000 0.009 0.000 0.667 220 D CB -0.338 40.470 40.800 0.014 0.000 1.060 220 D HN 0.574 nan 8.370 nan 0.000 0.427 221 K N -0.601 119.803 120.400 0.006 0.000 2.211 221 K HA 0.776 5.096 4.320 0.001 0.000 0.237 221 K C 0.102 176.699 176.600 -0.005 0.000 1.002 221 K CA -0.901 55.389 56.287 0.005 0.000 0.885 221 K CB 1.355 33.858 32.500 0.006 0.000 1.136 221 K HN 0.032 nan 8.250 nan 0.000 0.448 222 L N 1.182 122.400 121.223 -0.008 0.000 2.445 222 L HA 0.327 4.667 4.340 0.001 0.000 0.262 222 L C -0.910 175.948 176.870 -0.019 0.000 0.974 222 L CA -0.723 54.103 54.840 -0.022 0.000 0.822 222 L CB 2.414 44.459 42.059 -0.024 0.000 1.339 222 L HN 0.583 nan 8.230 nan 0.000 0.409 223 Q N 2.860 122.643 119.800 -0.028 0.000 2.312 223 Q HA 0.639 4.979 4.340 0.001 0.000 0.263 223 Q C -1.861 174.128 176.000 -0.018 0.000 0.995 223 Q CA -0.754 55.048 55.803 -0.002 0.000 0.853 223 Q CB 2.434 31.192 28.738 0.033 0.000 1.300 223 Q HN 0.514 nan 8.270 nan 0.000 0.448 224 L N 5.103 126.337 121.223 0.019 0.000 2.362 224 L HA 0.590 4.930 4.340 0.001 0.000 0.275 224 L C -1.651 175.287 176.870 0.112 0.000 0.998 224 L CA -0.448 54.412 54.840 0.032 0.000 0.820 224 L CB 1.841 43.911 42.059 0.018 0.000 1.270 224 L HN 0.729 nan 8.230 nan 0.000 0.415 225 I N 5.682 126.367 120.570 0.191 0.000 2.382 225 I HA 0.391 4.562 4.170 0.001 0.000 0.286 225 I C -0.694 175.602 176.117 0.298 0.000 1.002 225 I CA -0.829 60.636 61.300 0.276 0.000 1.135 225 I CB 1.811 40.078 38.000 0.445 0.000 1.288 225 I HN 0.228 nan 8.210 nan 0.000 0.448 226 V N 5.818 125.858 119.914 0.210 0.000 2.406 226 V HA 0.596 4.716 4.120 0.001 0.000 0.272 226 V C 0.459 176.660 176.094 0.179 0.000 1.043 226 V CA -0.385 62.025 62.300 0.183 0.000 0.915 226 V CB 1.259 33.145 31.823 0.105 0.000 0.988 226 V HN 0.815 nan 8.190 nan 0.000 0.466 227 A N 7.029 129.941 122.820 0.152 0.000 2.287 227 A HA 0.828 5.148 4.320 0.001 0.000 0.317 227 A C -0.811 176.760 177.584 -0.023 0.000 1.220 227 A CA -0.472 51.565 52.037 0.000 0.000 0.835 227 A CB 0.553 19.398 19.000 -0.259 0.000 1.180 227 A HN 0.567 nan 8.150 nan 0.000 0.500 228 I N 2.063 122.646 120.570 0.021 0.000 2.441 228 I HA 0.484 4.655 4.170 0.001 0.000 0.295 228 I C 0.978 177.160 176.117 0.109 0.000 0.994 228 I CA -0.835 60.488 61.300 0.038 0.000 1.144 228 I CB 1.119 39.151 38.000 0.053 0.000 1.314 228 I HN 0.777 nan 8.210 nan 0.000 0.445 229 A N 4.401 127.274 122.820 0.088 0.000 2.555 229 A HA -0.002 4.318 4.320 0.001 0.000 0.233 229 A C 0.439 178.165 177.584 0.237 0.000 1.060 229 A CA 0.159 52.266 52.037 0.117 0.000 0.759 229 A CB -0.116 18.921 19.000 0.061 0.000 0.995 229 A HN 0.725 nan 8.150 nan 0.000 0.506 230 D N 2.655 123.210 120.400 0.259 0.000 2.772 230 D HA 0.293 4.933 4.640 0.001 0.000 0.273 230 D C -1.781 174.749 176.300 0.384 0.000 1.233 230 D CA -1.572 52.611 54.000 0.305 0.000 0.984 230 D CB 0.492 41.401 40.800 0.182 0.000 1.000 230 D HN 0.182 nan 8.370 nan 0.000 0.514 231 P HA -0.073 nan 4.420 nan 0.000 0.223 231 P C 1.387 178.855 177.300 0.279 0.000 1.151 231 P CA 0.915 64.192 63.100 0.295 0.000 0.787 231 P CB -0.081 31.678 31.700 0.098 0.000 0.788 232 T N -3.532 111.140 114.554 0.196 0.000 3.155 232 T HA 0.099 4.449 4.350 0.001 0.000 0.264 232 T C 1.623 176.370 174.700 0.078 0.000 1.160 232 T CA 0.838 63.013 62.100 0.125 0.000 1.075 232 T CB -0.789 68.138 68.868 0.098 0.000 0.921 232 T HN 0.018 nan 8.240 nan 0.000 0.533 233 A N -0.153 122.702 122.820 0.059 0.000 2.132 233 A HA 0.283 4.604 4.320 0.001 0.000 0.213 233 A C 2.050 179.452 177.584 -0.303 0.000 1.154 233 A CA -0.107 51.821 52.037 -0.181 0.000 0.753 233 A CB -0.619 18.158 19.000 -0.371 0.000 0.826 233 A HN 0.703 nan 8.150 nan 0.000 0.469 234 W N -0.366 120.940 121.300 0.010 0.000 2.640 234 W HA 0.334 4.994 4.660 0.001 0.000 0.271 234 W C 0.110 176.634 176.519 0.007 0.000 1.218 234 W CA -0.000 57.348 57.345 0.006 0.000 1.382 234 W CB 0.118 29.580 29.460 0.002 0.000 1.067 234 W HN 0.011 nan 8.180 nan 0.000 0.590 235 I N 1.554 122.267 120.570 0.240 0.000 2.304 235 I HA 0.325 4.495 4.170 0.001 0.000 0.291 235 I C 0.389 176.561 176.117 0.092 0.000 1.018 235 I CA -0.499 60.888 61.300 0.145 0.000 1.260 235 I CB 0.719 38.797 38.000 0.130 0.000 1.390 235 I HN -0.313 nan 8.210 nan 0.000 0.475 236 A N 5.863 128.725 122.820 0.069 0.000 2.286 236 A HA 0.287 4.608 4.320 0.001 0.000 0.286 236 A C 0.112 177.727 177.584 0.051 0.000 1.097 236 A CA -0.474 51.590 52.037 0.045 0.000 0.821 236 A CB 0.587 19.605 19.000 0.031 0.000 1.076 236 A HN 0.777 nan 8.150 nan 0.000 0.490 237 E N 0.022 120.247 120.200 0.042 0.000 2.316 237 E HA 0.388 4.739 4.350 0.001 0.000 0.275 237 E C 1.147 177.775 176.600 0.048 0.000 1.029 237 E CA 0.903 57.334 56.400 0.052 0.000 0.871 237 E CB 0.208 29.933 29.700 0.041 0.000 1.022 237 E HN 1.308 nan 8.360 nan 0.000 0.418 238 G N 3.233 112.068 108.800 0.058 0.000 2.225 238 G HA2 -0.354 3.606 3.960 0.001 0.000 0.254 238 G HA3 -0.354 3.606 3.960 0.001 0.000 0.254 238 G C 0.372 175.291 174.900 0.033 0.000 0.988 238 G CA 0.394 45.518 45.100 0.040 0.000 0.625 238 G HN 0.837 nan 8.290 nan 0.000 0.527 239 S N 0.172 115.895 115.700 0.039 0.000 2.580 239 S HA 0.510 4.980 4.470 0.001 0.000 0.261 239 S C 1.828 176.445 174.600 0.027 0.000 1.366 239 S CA 1.224 59.444 58.200 0.034 0.000 0.996 239 S CB 1.016 64.242 63.200 0.044 0.000 0.902 239 S HN 1.783 nan 8.310 nan 0.000 0.566 240 K N 1.093 121.504 120.400 0.020 0.000 1.987 240 K HA -0.085 4.235 4.320 0.001 0.000 0.216 240 K C 2.242 178.845 176.600 0.006 0.000 1.051 240 K CA 2.177 58.469 56.287 0.009 0.000 0.942 240 K CB -1.821 30.683 32.500 0.007 0.000 0.722 240 K HN 0.680 nan 8.250 nan 0.000 0.444 241 L N 0.441 121.674 121.223 0.017 0.000 2.013 241 L HA -0.245 4.095 4.340 0.001 0.000 0.212 241 L C 2.818 179.705 176.870 0.029 0.000 1.073 241 L CA 2.149 57.000 54.840 0.018 0.000 0.753 241 L CB -0.635 41.444 42.059 0.032 0.000 0.890 241 L HN 0.615 nan 8.230 nan 0.000 0.432 242 D N 0.130 120.567 120.400 0.061 0.000 2.133 242 D HA -0.222 4.419 4.640 0.001 0.000 0.195 242 D C 2.161 178.474 176.300 0.021 0.000 0.997 242 D CA 1.553 55.620 54.000 0.112 0.000 0.840 242 D CB 0.144 41.018 40.800 0.123 0.000 0.947 242 D HN 0.177 nan 8.370 nan 0.000 0.452 243 K N -0.169 120.221 120.400 -0.016 0.000 2.057 243 K HA -0.010 4.311 4.320 0.001 0.000 0.206 243 K C 2.253 178.781 176.600 -0.119 0.000 1.050 243 K CA 0.917 57.162 56.287 -0.069 0.000 0.935 243 K CB -0.174 32.305 32.500 -0.035 0.000 0.715 243 K HN 0.138 nan 8.250 nan 0.000 0.439 244 A N 1.877 124.645 122.820 -0.085 0.000 1.883 244 A HA -0.193 4.127 4.320 0.001 0.000 0.217 244 A C 2.423 179.917 177.584 -0.150 0.000 1.186 244 A CA 2.148 54.129 52.037 -0.093 0.000 0.624 244 A CB -0.801 18.165 19.000 -0.058 0.000 0.822 244 A HN 0.349 nan 8.150 nan 0.000 0.444 245 A N -0.559 122.160 122.820 -0.167 0.000 1.930 245 A HA -0.144 4.176 4.320 0.001 0.000 0.217 245 A C 2.115 179.363 177.584 -0.560 0.000 1.175 245 A CA 1.973 53.880 52.037 -0.217 0.000 0.627 245 A CB -0.432 18.555 19.000 -0.021 0.000 0.815 245 A HN 0.579 nan 8.150 nan 0.000 0.443 246 K N -0.335 119.529 120.400 -0.894 0.000 2.147 246 K HA -0.111 4.209 4.320 0.001 0.000 0.205 246 K C 1.658 177.970 176.600 -0.480 0.000 1.049 246 K CA 1.358 56.977 56.287 -1.113 0.000 0.936 246 K CB -0.188 31.813 32.500 -0.832 0.000 0.722 246 K HN 0.391 nan 8.250 nan 0.000 0.446 247 I N 1.236 121.628 120.570 -0.297 0.000 2.163 247 I HA -0.207 3.963 4.170 0.001 0.000 0.240 247 I C 2.201 178.244 176.117 -0.124 0.000 1.081 247 I CA 1.449 62.653 61.300 -0.160 0.000 1.353 247 I CB -1.113 36.822 38.000 -0.107 0.000 1.054 247 I HN 0.206 nan 8.210 nan 0.000 0.407 248 R N 0.773 121.194 120.500 -0.131 0.000 2.090 248 R HA 0.037 4.378 4.340 0.001 0.000 0.228 248 R C 1.803 178.076 176.300 -0.046 0.000 1.110 248 R CA 1.348 57.409 56.100 -0.066 0.000 0.973 248 R CB -0.281 29.979 30.300 -0.066 0.000 0.869 248 R HN 0.410 nan 8.270 nan 0.000 0.440 249 A N -0.453 122.263 122.820 -0.174 0.000 3.925 249 A HA -0.259 4.062 4.320 0.001 0.000 0.247 249 A C 0.150 177.388 177.584 -0.578 0.000 0.630 249 A CA 1.730 53.571 52.037 -0.326 0.000 1.174 249 A CB -1.627 17.226 19.000 -0.245 0.000 1.222 249 A HN 0.320 nan 8.150 nan 0.000 0.676 250 F N -1.123 118.836 119.950 0.015 0.000 2.615 250 F HA 0.497 5.024 4.527 0.001 0.000 0.312 250 F C 0.515 176.293 175.800 -0.036 0.000 1.119 250 F CA -0.054 57.961 58.000 0.025 0.000 0.979 250 F CB 1.497 40.525 39.000 0.047 0.000 1.266 250 F HN -0.012 nan 8.300 nan 0.000 0.444 251 T N 2.199 116.820 114.554 0.113 0.000 2.849 251 T HA -0.095 4.255 4.350 0.001 0.000 0.289 251 T C -0.017 174.558 174.700 -0.209 0.000 1.010 251 T CA 0.554 62.570 62.100 -0.140 0.000 1.161 251 T CB -0.273 68.432 68.868 -0.272 0.000 0.989 251 T HN 0.426 nan 8.240 nan 0.000 0.523 252 N N 2.821 121.354 118.700 -0.278 0.000 2.426 252 N HA 0.179 4.919 4.740 0.001 0.000 0.257 252 N C -1.501 173.796 175.510 -0.354 0.000 1.002 252 N CA -0.386 52.550 53.050 -0.191 0.000 0.942 252 N CB 0.235 38.659 38.487 -0.105 0.000 1.112 252 N HN 0.476 nan 8.380 nan 0.000 0.499 253 Y N 3.709 123.987 120.300 -0.038 0.000 2.353 253 Y HA 0.405 4.955 4.550 0.001 0.000 0.340 253 Y C 0.132 176.033 175.900 0.002 0.000 0.972 253 Y CA -0.590 57.493 58.100 -0.028 0.000 1.157 253 Y CB 0.938 39.395 38.460 -0.006 0.000 1.157 253 Y HN 0.239 nan 8.280 nan 0.000 0.495 254 L N 5.482 126.791 121.223 0.144 0.000 2.333 254 L HA 0.560 4.901 4.340 0.001 0.000 0.269 254 L C -2.382 174.608 176.870 0.201 0.000 1.010 254 L CA -2.702 52.231 54.840 0.154 0.000 0.818 254 L CB 1.696 43.893 42.059 0.230 0.000 1.306 254 L HN 0.339 nan 8.230 nan 0.000 0.430 255 P HA -0.072 nan 4.420 nan 0.000 0.257 255 P C 0.799 178.290 177.300 0.319 0.000 1.162 255 P CA 1.105 64.263 63.100 0.097 0.000 0.762 255 P CB 0.286 31.779 31.700 -0.345 0.000 0.753 256 G N 1.972 110.915 108.800 0.239 0.000 2.200 256 G HA2 -0.280 3.681 3.960 0.001 0.000 0.268 256 G HA3 -0.280 3.681 3.960 0.001 0.000 0.268 256 G C -0.134 174.880 174.900 0.191 0.000 0.986 256 G CA 0.147 45.355 45.100 0.180 0.000 0.677 256 G HN 0.566 nan 8.290 nan 0.000 0.532 257 F N 0.870 120.833 119.950 0.022 0.000 2.623 257 F HA 0.535 5.062 4.527 0.001 0.000 0.323 257 F C -0.705 175.083 175.800 -0.020 0.000 1.158 257 F CA -1.459 56.498 58.000 -0.072 0.000 1.030 257 F CB 0.943 39.819 39.000 -0.207 0.000 1.280 257 F HN 0.318 nan 8.300 nan 0.000 0.474 258 N N 5.177 123.547 118.700 -0.549 0.000 2.328 258 N HA 0.675 5.415 4.740 0.001 0.000 0.299 258 N C -1.976 173.007 175.510 -0.879 0.000 1.179 258 N CA -0.799 51.874 53.050 -0.629 0.000 0.793 258 N CB 2.125 40.306 38.487 -0.510 0.000 1.366 258 N HN 0.297 nan 8.380 nan 0.000 0.493 259 I N 1.098 121.276 120.570 -0.654 0.000 2.405 259 I HA 0.362 4.532 4.170 0.001 0.000 0.280 259 I C -2.180 173.731 176.117 -0.342 0.000 1.027 259 I CA -1.864 59.153 61.300 -0.471 0.000 1.161 259 I CB 0.527 38.337 38.000 -0.317 0.000 1.300 259 I HN 0.532 nan 8.210 nan 0.000 0.463 263 P HA 0.041 nan 4.420 nan 0.000 0.267 263 P C 0.158 177.409 177.300 -0.082 0.000 1.195 263 P CA -0.109 62.951 63.100 -0.067 0.000 0.773 263 P CB 0.504 32.166 31.700 -0.063 0.000 0.837 264 R N 2.293 122.746 120.500 -0.078 0.000 2.148 264 R HA -0.115 4.225 4.340 0.001 0.000 0.227 264 R C 2.254 178.495 176.300 -0.098 0.000 1.103 264 R CA 1.647 57.698 56.100 -0.082 0.000 0.983 264 R CB -1.181 29.078 30.300 -0.068 0.000 0.874 264 R HN 0.651 nan 8.270 nan 0.000 0.451 265 E N 1.648 121.785 120.200 -0.104 0.000 2.169 265 E HA -0.206 4.144 4.350 0.001 0.000 0.202 265 E C 2.056 178.536 176.600 -0.200 0.000 1.016 265 E CA 1.762 58.081 56.400 -0.134 0.000 0.817 265 E CB -0.714 28.909 29.700 -0.129 0.000 0.736 265 E HN 0.389 nan 8.360 nan 0.000 0.462 266 L N 0.285 121.382 121.223 -0.209 0.000 2.145 266 L HA -0.033 4.307 4.340 0.001 0.000 0.201 266 L C 3.022 179.769 176.870 -0.206 0.000 1.075 266 L CA 1.207 55.877 54.840 -0.283 0.000 0.773 266 L CB -0.058 41.855 42.059 -0.244 0.000 0.936 266 L HN 0.413 nan 8.230 nan 0.000 0.451 267 S N -0.458 115.160 115.700 -0.136 0.000 2.368 267 S HA -0.244 4.227 4.470 0.001 0.000 0.225 267 S C 1.660 176.206 174.600 -0.090 0.000 1.030 267 S CA 1.562 59.705 58.200 -0.096 0.000 0.999 267 S CB -0.462 62.695 63.200 -0.073 0.000 0.844 267 S HN 0.567 nan 8.310 nan 0.000 0.459 268 D N 1.875 122.218 120.400 -0.094 0.000 2.240 268 D HA -0.008 4.632 4.640 0.001 0.000 0.206 268 D C 1.362 177.608 176.300 -0.089 0.000 0.963 268 D CA 1.451 55.404 54.000 -0.078 0.000 0.863 268 D CB -0.096 40.664 40.800 -0.066 0.000 0.973 268 D HN 0.557 nan 8.370 nan 0.000 0.501 269 D N 0.808 121.133 120.400 -0.124 0.000 3.136 269 D HA 0.192 4.832 4.640 0.001 0.000 0.254 269 D C 2.463 178.654 176.300 -0.182 0.000 1.563 269 D CA 0.158 54.080 54.000 -0.129 0.000 1.225 269 D CB -0.668 40.059 40.800 -0.122 0.000 1.079 269 D HN 0.064 nan 8.370 nan 0.000 0.314 270 L N 0.243 121.280 121.223 -0.309 0.000 2.189 270 L HA -0.133 4.208 4.340 0.001 0.000 0.214 270 L C 2.351 178.926 176.870 -0.493 0.000 1.097 270 L CA 1.460 55.982 54.840 -0.530 0.000 0.764 270 L CB -0.377 41.052 42.059 -1.049 0.000 0.900 270 L HN 0.534 nan 8.230 nan 0.000 0.436 271 C N -2.751 116.354 119.300 -0.326 0.000 2.478 271 C HA 0.099 4.559 4.460 0.001 0.000 0.397 271 C C 1.672 176.625 174.990 -0.061 0.000 1.360 271 C CA -0.689 58.245 59.018 -0.139 0.000 2.191 271 C CB 0.136 27.812 27.740 -0.106 0.000 2.654 271 C HN 0.414 nan 8.230 nan 0.000 0.548 272 S N 1.623 117.274 115.700 -0.080 0.000 3.116 272 S HA -0.033 4.438 4.470 0.001 0.000 0.367 272 S C -0.000 174.579 174.600 -0.034 0.000 1.202 272 S CA 0.325 58.494 58.200 -0.053 0.000 1.018 272 S CB -0.252 62.912 63.200 -0.060 0.000 0.726 272 S HN 0.454 nan 8.310 nan 0.000 0.506 273 L N 6.445 127.653 121.223 -0.025 0.000 2.583 273 L HA 0.234 4.574 4.340 0.001 0.000 0.239 273 L C 1.241 178.104 176.870 -0.012 0.000 1.347 273 L CA -0.252 54.577 54.840 -0.018 0.000 1.246 273 L CB -0.486 41.560 42.059 -0.021 0.000 1.496 273 L HN 0.575 nan 8.230 nan 0.000 0.413 274 R N 0.952 121.445 120.500 -0.013 0.000 2.784 274 R HA 0.312 4.653 4.340 0.001 0.000 0.266 274 R C 0.603 176.905 176.300 0.004 0.000 1.044 274 R CA -0.203 55.892 56.100 -0.009 0.000 1.151 274 R CB 0.586 30.879 30.300 -0.012 0.000 1.037 274 R HN 0.487 nan 8.270 nan 0.000 0.478 275 A N 2.764 125.588 122.820 0.007 0.000 2.488 275 A HA 0.045 4.365 4.320 0.001 0.000 0.249 275 A C 0.204 177.800 177.584 0.019 0.000 1.083 275 A CA -0.266 51.783 52.037 0.019 0.000 0.768 275 A CB 0.021 19.032 19.000 0.018 0.000 1.017 275 A HN 0.984 nan 8.150 nan 0.000 0.496 276 N N 0.400 119.116 118.700 0.027 0.000 2.693 276 N HA -0.136 4.604 4.740 0.001 0.000 0.249 276 N C -0.466 175.055 175.510 0.018 0.000 1.119 276 N CA 1.436 54.500 53.050 0.024 0.000 0.717 276 N CB -0.890 37.609 38.487 0.020 0.000 1.071 276 N HN 0.829 nan 8.380 nan 0.000 0.555 277 E N 0.178 120.387 120.200 0.016 0.000 2.235 277 E HA 0.543 4.893 4.350 0.001 0.000 0.265 277 E C -0.021 176.587 176.600 0.014 0.000 0.940 277 E CA -0.810 55.598 56.400 0.013 0.000 0.819 277 E CB 2.379 32.084 29.700 0.008 0.000 1.206 277 E HN -0.099 nan 8.360 nan 0.000 0.409 278 V N 2.883 122.807 119.914 0.017 0.000 2.370 278 V HA 0.394 4.514 4.120 0.001 0.000 0.283 278 V C -0.140 175.969 176.094 0.025 0.000 1.023 278 V CA -0.606 61.703 62.300 0.014 0.000 0.857 278 V CB 1.026 32.858 31.823 0.015 0.000 0.985 278 V HN 0.398 nan 8.190 nan 0.000 0.443 279 R N 5.388 125.893 120.500 0.009 0.000 2.574 279 R HA 0.482 4.822 4.340 0.001 0.000 0.288 279 R C -2.961 173.345 176.300 0.010 0.000 1.004 279 R CA -2.320 53.800 56.100 0.034 0.000 0.895 279 R CB 2.542 32.855 30.300 0.021 0.000 1.191 279 R HN 0.371 nan 8.270 nan 0.000 0.444 280 P HA 0.142 nan 4.420 nan 0.000 0.271 280 P C -0.242 177.068 177.300 0.017 0.000 1.216 280 P CA -0.174 62.933 63.100 0.012 0.000 0.776 280 P CB 1.017 32.715 31.700 -0.003 0.000 0.881 281 V N 0.391 120.281 119.914 -0.041 0.000 3.167 281 V HA 0.630 4.750 4.120 0.001 0.000 0.310 281 V C -0.916 175.140 176.094 -0.063 0.000 1.207 281 V CA -1.274 61.000 62.300 -0.045 0.000 1.059 281 V CB 1.931 33.670 31.823 -0.140 0.000 1.079 281 V HN 0.340 nan 8.190 nan 0.000 0.446 282 L N 1.721 122.925 121.223 -0.032 0.000 2.322 282 L HA 0.991 5.331 4.340 0.001 0.000 0.281 282 L C 0.006 176.847 176.870 -0.049 0.000 1.014 282 L CA -0.285 54.498 54.840 -0.095 0.000 0.815 282 L CB 0.848 42.793 42.059 -0.191 0.000 1.247 282 L HN 1.321 nan 8.230 nan 0.000 0.421 283 A N 3.831 126.463 122.820 -0.313 0.000 2.469 283 A HA 0.796 5.116 4.320 0.001 0.000 0.299 283 A C -1.412 175.779 177.584 -0.654 0.000 1.098 283 A CA -0.522 51.228 52.037 -0.478 0.000 0.737 283 A CB 1.579 20.031 19.000 -0.912 0.000 1.312 283 A HN 0.848 nan 8.150 nan 0.000 0.414 284 C N 1.781 120.834 119.300 -0.412 0.000 2.432 284 C HA 0.784 5.244 4.460 0.001 0.000 0.334 284 C C -0.019 174.864 174.990 -0.179 0.000 1.155 284 C CA -0.432 58.221 59.018 -0.608 0.000 1.335 284 C CB 0.204 27.530 27.740 -0.691 0.000 1.964 284 C HN 1.064 nan 8.230 nan 0.000 0.444 288 L N 2.991 124.203 121.223 -0.019 0.000 2.264 288 L HA 0.532 4.872 4.340 0.001 0.000 0.289 288 L C 1.129 177.996 176.870 -0.006 0.000 1.044 288 L CA -0.873 53.950 54.840 -0.029 0.000 0.807 288 L CB 1.322 43.365 42.059 -0.028 0.000 1.192 288 L HN 0.789 nan 8.230 nan 0.000 0.425 289 S N 1.547 117.247 115.700 0.001 0.000 2.687 289 S HA 0.033 4.504 4.470 0.001 0.000 0.248 289 S C 1.432 176.060 174.600 0.046 0.000 1.390 289 S CA 0.243 58.461 58.200 0.029 0.000 0.963 289 S CB 0.675 63.904 63.200 0.048 0.000 0.957 289 S HN 0.791 nan 8.310 nan 0.000 0.584 290 A N 1.741 124.596 122.820 0.057 0.000 1.851 290 A HA -0.166 4.154 4.320 0.001 0.000 0.216 290 A C 1.684 179.328 177.584 0.099 0.000 1.195 290 A CA 1.945 54.021 52.037 0.065 0.000 0.622 290 A CB -0.922 18.114 19.000 0.060 0.000 0.831 290 A HN 0.905 nan 8.150 nan 0.000 0.444 291 D N -1.820 118.664 120.400 0.140 0.000 2.363 291 D HA 0.235 4.875 4.640 0.001 0.000 0.226 291 D C 1.118 177.615 176.300 0.328 0.000 1.020 291 D CA 1.192 55.319 54.000 0.212 0.000 0.892 291 D CB -0.384 40.553 40.800 0.229 0.000 0.900 291 D HN 0.921 nan 8.370 nan 0.000 0.531 292 G N -0.256 108.676 108.800 0.220 0.000 2.195 292 G HA2 -0.244 3.717 3.960 0.001 0.000 0.224 292 G HA3 -0.244 3.717 3.960 0.001 0.000 0.224 292 G C 0.419 175.268 174.900 -0.085 0.000 0.990 292 G CA 0.130 45.322 45.100 0.153 0.000 0.639 292 G HN 0.435 nan 8.290 nan 0.000 0.514 293 T N 1.797 116.339 114.554 -0.021 0.000 2.928 293 T HA 0.408 4.758 4.350 0.001 0.000 0.305 293 T C 1.006 175.584 174.700 -0.202 0.000 1.035 293 T CA 0.285 62.256 62.100 -0.215 0.000 1.145 293 T CB 0.993 69.897 68.868 0.059 0.000 0.963 293 T HN 0.336 nan 8.240 nan 0.000 0.545 294 I N 3.796 124.193 120.570 -0.289 0.000 2.347 294 I HA 0.088 4.258 4.170 0.001 0.000 0.294 294 I C 1.128 177.197 176.117 -0.079 0.000 1.090 294 I CA -0.225 60.979 61.300 -0.160 0.000 1.314 294 I CB 0.051 37.952 38.000 -0.166 0.000 1.423 294 I HN 0.597 nan 8.210 nan 0.000 0.503 295 E N 5.338 125.512 120.200 -0.042 0.000 2.418 295 E HA -0.028 4.323 4.350 0.001 0.000 0.261 295 E C 0.370 176.967 176.600 -0.005 0.000 1.070 295 E CA -0.378 56.014 56.400 -0.014 0.000 0.931 295 E CB 0.981 30.678 29.700 -0.004 0.000 0.954 295 E HN 0.522 nan 8.360 nan 0.000 0.439 296 D N 1.819 122.222 120.400 0.005 0.000 2.123 296 D HA -0.164 4.476 4.640 0.001 0.000 0.196 296 D C 0.804 177.114 176.300 0.016 0.000 0.992 296 D CA 1.191 55.199 54.000 0.013 0.000 0.833 296 D CB -0.340 40.469 40.800 0.015 0.000 0.954 296 D HN 0.494 nan 8.370 nan 0.000 0.455 297 N N 1.463 120.169 118.700 0.011 0.000 2.962 297 N HA -0.117 4.624 4.740 0.001 0.000 0.287 297 N C -0.159 175.360 175.510 0.014 0.000 1.467 297 N CA 0.284 53.339 53.050 0.010 0.000 1.061 297 N CB -1.399 37.090 38.487 0.002 0.000 1.416 297 N HN 0.279 nan 8.380 nan 0.000 0.576 298 I N 0.825 121.412 120.570 0.029 0.000 2.396 298 I HA 0.029 4.199 4.170 0.001 0.000 0.289 298 I C 0.463 176.619 176.117 0.066 0.000 1.056 298 I CA -0.399 60.922 61.300 0.035 0.000 1.365 298 I CB 0.372 38.417 38.000 0.076 0.000 1.407 298 I HN 0.368 nan 8.210 nan 0.000 0.509 299 E N 6.711 126.933 120.200 0.037 0.000 2.187 299 E HA 0.489 4.839 4.350 0.001 0.000 0.268 299 E C -1.414 175.225 176.600 0.065 0.000 0.896 299 E CA -0.729 55.740 56.400 0.116 0.000 0.766 299 E CB 1.741 31.495 29.700 0.089 0.000 1.142 299 E HN 0.217 nan 8.360 nan 0.000 0.408 300 F N 2.628 122.616 119.950 0.064 0.000 2.422 300 F HA 0.545 5.072 4.527 0.001 0.000 0.333 300 F C -0.260 175.622 175.800 0.137 0.000 1.095 300 F CA -0.690 57.281 58.000 -0.049 0.000 1.038 300 F CB 1.067 39.899 39.000 -0.279 0.000 1.156 300 F HN 0.480 nan 8.300 nan 0.000 0.483 301 F N 0.223 120.178 119.950 0.007 0.000 2.654 301 F HA 0.760 5.287 4.527 0.001 0.000 0.314 301 F C -0.855 174.929 175.800 -0.026 0.000 1.116 301 F CA -1.772 56.218 58.000 -0.016 0.000 1.017 301 F CB 0.208 39.191 39.000 -0.027 0.000 1.285 301 F HN 0.626 nan 8.300 nan 0.000 0.448 302 A N 1.939 124.772 122.820 0.023 0.000 2.445 302 A HA 0.797 5.118 4.320 0.001 0.000 0.242 302 A C 0.041 177.643 177.584 0.030 0.000 1.075 302 A CA 0.574 52.589 52.037 -0.037 0.000 0.777 302 A CB 0.003 18.991 19.000 -0.021 0.000 1.013 302 A HN 2.006 nan 8.150 nan 0.000 0.493 303 A N 0.896 123.694 122.820 -0.037 0.000 2.593 303 A HA 0.904 5.224 4.320 0.001 0.000 0.304 303 A C -0.332 177.226 177.584 -0.043 0.000 1.233 303 A CA -0.238 51.802 52.037 0.005 0.000 0.661 303 A CB 0.863 19.878 19.000 0.024 0.000 1.338 303 A HN 1.104 nan 8.150 nan 0.000 0.495 304 T N 0.565 115.089 114.554 -0.051 0.000 3.105 304 T HA 0.599 4.950 4.350 0.001 0.000 0.321 304 T C -0.941 173.694 174.700 -0.107 0.000 1.135 304 T CA 0.097 62.158 62.100 -0.065 0.000 1.053 304 T CB 0.773 69.624 68.868 -0.028 0.000 1.133 304 T HN 1.192 nan 8.240 nan 0.000 0.463 305 I N -1.510 118.968 120.570 -0.152 0.000 3.174 305 I HA 1.022 5.193 4.170 0.001 0.000 0.313 305 I C -0.648 175.421 176.117 -0.080 0.000 1.155 305 I CA -1.192 59.988 61.300 -0.200 0.000 0.977 305 I CB 2.163 39.794 38.000 -0.615 0.000 1.248 305 I HN 0.623 nan 8.210 nan 0.000 0.453 306 E N 2.188 122.387 120.200 -0.002 0.000 2.316 306 E HA 0.483 4.833 4.350 0.001 0.000 0.254 306 E C -0.689 175.965 176.600 0.091 0.000 0.902 306 E CA -0.621 55.799 56.400 0.033 0.000 0.801 306 E CB 1.411 31.134 29.700 0.037 0.000 1.270 306 E HN 0.797 nan 8.360 nan 0.000 0.414 307 S N 1.712 117.462 115.700 0.082 0.000 2.537 307 S HA 0.091 4.562 4.470 0.001 0.000 0.286 307 S C 0.954 175.615 174.600 0.102 0.000 1.299 307 S CA -0.248 58.031 58.200 0.131 0.000 1.067 307 S CB 0.512 63.768 63.200 0.092 0.000 0.864 307 S HN 0.477 nan 8.310 nan 0.000 0.494 308 K N 2.831 123.303 120.400 0.120 0.000 2.228 308 K HA 0.247 4.567 4.320 0.001 0.000 0.202 308 K C 0.563 177.200 176.600 0.061 0.000 1.051 308 K CA 0.892 57.228 56.287 0.082 0.000 0.960 308 K CB -0.413 32.137 32.500 0.082 0.000 0.743 308 K HN 0.708 nan 8.250 nan 0.000 0.458 309 A N -0.114 122.745 122.820 0.064 0.000 2.565 309 A HA 0.515 4.836 4.320 0.001 0.000 0.298 309 A C -1.029 176.576 177.584 0.034 0.000 1.062 309 A CA -0.729 51.339 52.037 0.050 0.000 0.723 309 A CB 0.881 19.918 19.000 0.063 0.000 1.282 309 A HN 0.016 nan 8.150 nan 0.000 0.400 310 K N 2.130 122.536 120.400 0.010 0.000 2.363 310 K HA 0.578 4.899 4.320 0.001 0.000 0.289 310 K C -0.314 176.257 176.600 -0.049 0.000 1.063 310 K CA 0.256 56.525 56.287 -0.029 0.000 0.967 310 K CB -0.575 31.901 32.500 -0.041 0.000 0.987 310 K HN 0.677 nan 8.250 nan 0.000 0.473 311 L N 1.027 122.201 121.223 -0.081 0.000 2.400 311 L HA 0.707 5.047 4.340 0.001 0.000 0.264 311 L C -0.188 176.532 176.870 -0.250 0.000 1.061 311 L CA -1.463 53.291 54.840 -0.143 0.000 0.799 311 L CB 2.115 44.126 42.059 -0.081 0.000 1.240 311 L HN 0.402 nan 8.230 nan 0.000 0.461 312 V N -0.048 119.663 119.914 -0.339 0.000 2.531 312 V HA 0.192 4.312 4.120 0.001 0.000 0.301 312 V C 0.310 176.271 176.094 -0.222 0.000 1.034 312 V CA -0.602 61.505 62.300 -0.322 0.000 0.865 312 V CB 1.335 32.969 31.823 -0.315 0.000 0.995 312 V HN 0.619 nan 8.190 nan 0.000 0.424 313 Y N 1.884 122.115 120.300 -0.116 0.000 2.029 313 Y HA -0.411 4.139 4.550 0.001 0.000 0.269 313 Y C 2.323 178.174 175.900 -0.083 0.000 1.201 313 Y CA 2.520 60.574 58.100 -0.075 0.000 1.115 313 Y CB -0.036 38.393 38.460 -0.051 0.000 0.945 313 Y HN 0.862 nan 8.280 nan 0.000 0.497 314 D N -0.837 119.608 120.400 0.075 0.000 2.097 314 D HA -0.177 4.464 4.640 0.001 0.000 0.197 314 D C 1.982 178.262 176.300 -0.033 0.000 0.984 314 D CA 1.668 55.680 54.000 0.021 0.000 0.826 314 D CB -0.181 40.622 40.800 0.004 0.000 0.973 314 D HN 0.361 nan 8.370 nan 0.000 0.460 315 Q N -0.145 119.541 119.800 -0.191 0.000 2.014 315 Q HA -0.168 4.172 4.340 0.001 0.000 0.207 315 Q C 2.503 178.402 176.000 -0.169 0.000 0.993 315 Q CA 1.812 57.397 55.803 -0.363 0.000 0.850 315 Q CB -0.240 27.863 28.738 -1.058 0.000 0.916 315 Q HN 0.267 nan 8.270 nan 0.000 0.417 316 V N 0.378 120.168 119.914 -0.208 0.000 2.332 316 V HA -0.276 3.844 4.120 0.001 0.000 0.248 316 V C 2.285 178.551 176.094 0.286 0.000 1.055 316 V CA 1.950 64.341 62.300 0.151 0.000 1.038 316 V CB -0.620 31.268 31.823 0.109 0.000 0.651 316 V HN 0.295 nan 8.190 nan 0.000 0.450 317 S N -0.600 115.203 115.700 0.171 0.000 2.382 317 S HA -0.209 4.262 4.470 0.001 0.000 0.228 317 S C 1.778 176.477 174.600 0.166 0.000 1.027 317 S CA 1.440 59.731 58.200 0.152 0.000 0.991 317 S CB -0.395 62.861 63.200 0.094 0.000 0.823 317 S HN 0.623 nan 8.310 nan 0.000 0.469 318 D N -0.338 120.176 120.400 0.191 0.000 2.144 318 D HA -0.090 4.550 4.640 0.001 0.000 0.200 318 D C 1.401 177.865 176.300 0.274 0.000 0.978 318 D CA 0.647 54.766 54.000 0.199 0.000 0.833 318 D CB -0.243 40.680 40.800 0.204 0.000 0.961 318 D HN 0.513 nan 8.370 nan 0.000 0.470 319 W N 1.188 122.611 121.300 0.206 0.000 2.363 319 W HA -0.138 4.522 4.660 0.001 0.000 0.296 319 W C 2.011 178.598 176.519 0.113 0.000 1.212 319 W CA 0.764 58.227 57.345 0.196 0.000 1.260 319 W CB -0.417 29.233 29.460 0.317 0.000 1.131 319 W HN -0.042 nan 8.180 nan 0.000 0.530 320 L N 1.149 122.423 121.223 0.086 0.000 2.131 320 L HA 0.045 4.385 4.340 0.001 0.000 0.206 320 L C 2.525 179.340 176.870 -0.091 0.000 1.087 320 L CA 2.835 57.612 54.840 -0.105 0.000 0.767 320 L CB -1.556 40.502 42.059 -0.000 0.000 0.917 320 L HN 0.138 nan 8.230 nan 0.000 0.441 321 E N 0.015 120.210 120.200 -0.009 0.000 2.011 321 E HA 0.228 4.578 4.350 0.001 0.000 0.191 321 E C 1.007 177.593 176.600 -0.024 0.000 0.979 321 E CA 1.086 57.480 56.400 -0.011 0.000 0.822 321 E CB -1.156 28.555 29.700 0.020 0.000 0.782 321 E HN 0.665 nan 8.360 nan 0.000 0.459 322 N N -0.764 117.944 118.700 0.012 0.000 4.849 322 N HA 0.433 5.173 4.740 0.001 0.000 0.165 322 N C -0.650 174.901 175.510 0.068 0.000 1.128 322 N CA 0.181 53.242 53.050 0.018 0.000 1.014 322 N CB 0.362 38.852 38.487 0.005 0.000 1.597 322 N HN 0.469 nan 8.380 nan 0.000 0.955 323 T N -0.254 114.366 114.554 0.110 0.000 2.902 323 T HA 0.716 5.066 4.350 0.001 0.000 0.283 323 T C 1.465 176.245 174.700 0.133 0.000 1.009 323 T CA 0.858 63.057 62.100 0.166 0.000 1.051 323 T CB 1.059 70.104 68.868 0.295 0.000 0.999 323 T HN 1.174 nan 8.240 nan 0.000 0.474 324 G N 1.729 110.607 108.800 0.129 0.000 2.796 324 G HA2 0.135 4.095 3.960 0.001 0.000 0.210 324 G HA3 0.135 4.095 3.960 0.001 0.000 0.210 324 G C 0.770 175.736 174.900 0.110 0.000 1.146 324 G CA 0.192 45.352 45.100 0.100 0.000 0.779 324 G HN 0.684 nan 8.290 nan 0.000 0.535 325 D N -2.271 118.222 120.400 0.156 0.000 2.464 325 D HA 0.100 4.740 4.640 0.001 0.000 0.272 325 D C -0.255 176.170 176.300 0.209 0.000 1.224 325 D CA -0.408 53.688 54.000 0.160 0.000 1.118 325 D CB 0.269 41.162 40.800 0.156 0.000 1.710 325 D HN 0.159 nan 8.370 nan 0.000 0.479 326 W N 2.843 124.176 121.300 0.055 0.000 2.570 326 W HA 0.504 5.164 4.660 0.001 0.000 0.337 326 W C -1.050 175.490 176.519 0.035 0.000 1.067 326 W CA -0.356 57.007 57.345 0.030 0.000 1.229 326 W CB 0.874 30.343 29.460 0.015 0.000 1.355 326 W HN -0.094 nan 8.180 nan 0.000 0.555 327 Q N 4.286 123.474 119.800 -1.019 0.000 2.421 327 Q HA 0.547 4.888 4.340 0.001 0.000 0.280 327 Q C -2.751 172.074 176.000 -1.958 0.000 1.085 327 Q CA -2.517 52.559 55.803 -1.211 0.000 0.807 327 Q CB 2.203 30.639 28.738 -0.503 0.000 1.405 327 Q HN 0.180 nan 8.270 nan 0.000 0.419 328 P HA -0.054 nan 4.420 nan 0.000 0.264 328 P C 0.024 176.964 177.300 -0.599 0.000 1.193 328 P CA 0.234 62.684 63.100 -1.084 0.000 0.763 328 P CB 0.601 31.740 31.700 -0.935 0.000 0.810 329 E N 2.238 122.222 120.200 -0.360 0.000 2.455 329 E HA -0.114 4.236 4.350 0.001 0.000 0.202 329 E C -0.104 176.403 176.600 -0.156 0.000 1.045 329 E CA 0.730 57.007 56.400 -0.205 0.000 0.872 329 E CB -0.034 29.612 29.700 -0.091 0.000 0.792 329 E HN 0.511 nan 8.360 nan 0.000 0.542 330 S N -2.551 113.044 115.700 -0.174 0.000 2.627 330 S HA 0.242 4.712 4.470 0.001 0.000 0.268 330 S C 0.284 174.817 174.600 -0.113 0.000 1.130 330 S CA -0.665 57.467 58.200 -0.113 0.000 0.819 330 S CB 0.942 64.102 63.200 -0.066 0.000 1.100 330 S HN -0.073 nan 8.310 nan 0.000 0.465 331 E N 1.114 121.276 120.200 -0.063 0.000 2.152 331 E HA 0.179 4.530 4.350 0.001 0.000 0.192 331 E C 2.043 178.628 176.600 -0.025 0.000 0.983 331 E CA 1.794 58.173 56.400 -0.035 0.000 0.818 331 E CB -0.713 28.983 29.700 -0.008 0.000 0.758 331 E HN 0.761 nan 8.360 nan 0.000 0.467 332 A N 0.726 123.533 122.820 -0.022 0.000 1.873 332 A HA -0.201 4.119 4.320 0.001 0.000 0.218 332 A C 2.324 179.894 177.584 -0.023 0.000 1.193 332 A CA 1.826 53.858 52.037 -0.007 0.000 0.629 332 A CB -0.800 18.206 19.000 0.009 0.000 0.826 332 A HN 0.350 nan 8.150 nan 0.000 0.447 333 I N -0.536 120.002 120.570 -0.052 0.000 2.439 333 I HA -0.190 3.981 4.170 0.001 0.000 0.251 333 I C 2.836 178.869 176.117 -0.141 0.000 1.139 333 I CA 0.822 62.077 61.300 -0.076 0.000 1.438 333 I CB -0.246 37.700 38.000 -0.089 0.000 1.085 333 I HN 0.356 nan 8.210 nan 0.000 0.427 334 A N 0.815 123.524 122.820 -0.184 0.000 1.929 334 A HA -0.166 4.154 4.320 0.001 0.000 0.216 334 A C 2.407 180.064 177.584 0.122 0.000 1.176 334 A CA 1.865 53.779 52.037 -0.204 0.000 0.628 334 A CB -0.854 18.075 19.000 -0.118 0.000 0.816 334 A HN 0.427 nan 8.150 nan 0.000 0.444 335 E N -0.459 119.779 120.200 0.064 0.000 2.015 335 E HA -0.243 4.108 4.350 0.001 0.000 0.191 335 E C 2.046 178.662 176.600 0.026 0.000 0.991 335 E CA 1.434 57.870 56.400 0.061 0.000 0.802 335 E CB -0.846 28.862 29.700 0.013 0.000 0.759 335 E HN 0.636 nan 8.360 nan 0.000 0.447 336 Q N 0.033 119.816 119.800 -0.029 0.000 2.047 336 Q HA -0.180 4.160 4.340 0.001 0.000 0.211 336 Q C 2.542 178.538 176.000 -0.007 0.000 1.005 336 Q CA 2.073 57.829 55.803 -0.078 0.000 0.866 336 Q CB -0.891 27.801 28.738 -0.076 0.000 0.938 336 Q HN 0.499 nan 8.270 nan 0.000 0.414 337 V N 0.966 120.918 119.914 0.063 0.000 2.287 337 V HA -0.321 3.800 4.120 0.001 0.000 0.248 337 V C 2.833 179.065 176.094 0.230 0.000 1.053 337 V CA 2.718 65.116 62.300 0.164 0.000 1.027 337 V CB -1.207 30.747 31.823 0.219 0.000 0.646 337 V HN 0.465 nan 8.190 nan 0.000 0.447 338 R N -0.311 120.362 120.500 0.288 0.000 2.152 338 R HA -0.023 4.317 4.340 0.001 0.000 0.232 338 R C 2.087 178.433 176.300 0.076 0.000 1.117 338 R CA 1.835 58.050 56.100 0.191 0.000 0.981 338 R CB -1.150 29.261 30.300 0.184 0.000 0.870 338 R HN 0.599 nan 8.270 nan 0.000 0.451 339 L N -0.242 121.004 121.223 0.038 0.000 2.068 339 L HA 0.014 4.355 4.340 0.001 0.000 0.204 339 L C 2.673 179.534 176.870 -0.015 0.000 1.076 339 L CA 0.949 55.779 54.840 -0.018 0.000 0.753 339 L CB -0.357 41.651 42.059 -0.084 0.000 0.910 339 L HN 0.262 nan 8.230 nan 0.000 0.439 340 L N -0.180 121.040 121.223 -0.005 0.000 2.127 340 L HA -0.205 4.135 4.340 0.001 0.000 0.211 340 L C 2.715 179.609 176.870 0.040 0.000 1.089 340 L CA 1.108 55.955 54.840 0.011 0.000 0.757 340 L CB -0.591 41.485 42.059 0.028 0.000 0.899 340 L HN 0.244 nan 8.230 nan 0.000 0.434 341 A N -1.090 121.766 122.820 0.059 0.000 2.066 341 A HA -0.160 4.160 4.320 0.001 0.000 0.218 341 A C 2.219 179.823 177.584 0.034 0.000 1.157 341 A CA 0.990 53.061 52.037 0.058 0.000 0.670 341 A CB -0.193 18.850 19.000 0.072 0.000 0.804 341 A HN 0.458 nan 8.150 nan 0.000 0.453 342 Q N -0.473 119.341 119.800 0.023 0.000 2.062 342 Q HA -0.016 4.324 4.340 0.001 0.000 0.196 342 Q C 2.003 178.015 176.000 0.020 0.000 0.967 342 Q CA 1.179 56.990 55.803 0.015 0.000 0.832 342 Q CB -0.253 28.488 28.738 0.004 0.000 0.899 342 Q HN 0.702 nan 8.270 nan 0.000 0.442 343 I N 0.576 121.154 120.570 0.014 0.000 2.113 343 I HA -0.429 3.741 4.170 0.001 0.000 0.242 343 I C 2.783 178.922 176.117 0.036 0.000 1.064 343 I CA 1.089 62.399 61.300 0.017 0.000 1.320 343 I CB -0.544 37.458 38.000 0.003 0.000 1.028 343 I HN 0.413 nan 8.210 nan 0.000 0.406 344 C N 0.649 119.973 119.300 0.040 0.000 2.385 344 C HA -0.284 4.177 4.460 0.001 0.000 0.275 344 C C 3.001 178.024 174.990 0.056 0.000 1.207 344 C CA 2.173 61.221 59.018 0.050 0.000 1.760 344 C CB -1.122 26.648 27.740 0.050 0.000 2.051 344 C HN 0.597 nan 8.230 nan 0.000 0.467 345 Q N -0.155 119.673 119.800 0.047 0.000 2.119 345 Q HA -0.136 4.205 4.340 0.001 0.000 0.201 345 Q C 2.462 178.504 176.000 0.070 0.000 0.972 345 Q CA 1.483 57.314 55.803 0.046 0.000 0.847 345 Q CB -0.145 28.610 28.738 0.029 0.000 0.903 345 Q HN 0.744 nan 8.270 nan 0.000 0.433 346 R N -0.463 120.084 120.500 0.079 0.000 2.090 346 R HA 0.017 4.357 4.340 0.001 0.000 0.228 346 R C 2.289 178.699 176.300 0.184 0.000 1.110 346 R CA 0.635 56.806 56.100 0.118 0.000 0.973 346 R CB -0.256 30.101 30.300 0.095 0.000 0.869 346 R HN 0.108 nan 8.270 nan 0.000 0.440 347 R N 0.995 121.581 120.500 0.144 0.000 2.061 347 R HA -0.015 4.325 4.340 0.001 0.000 0.230 347 R C 2.498 178.938 176.300 0.233 0.000 1.140 347 R CA 1.590 57.794 56.100 0.174 0.000 0.940 347 R CB -1.370 28.984 30.300 0.091 0.000 0.839 347 R HN 0.398 nan 8.270 nan 0.000 0.429 348 G N 0.948 109.842 108.800 0.158 0.000 2.681 348 G HA2 -0.426 3.534 3.960 0.001 0.000 0.220 348 G HA3 -0.426 3.534 3.960 0.001 0.000 0.220 348 G C 1.724 176.730 174.900 0.177 0.000 1.210 348 G CA 2.473 47.658 45.100 0.141 0.000 0.783 348 G HN 0.530 nan 8.290 nan 0.000 0.609 349 E N -0.418 119.876 120.200 0.156 0.000 2.130 349 E HA -0.231 4.120 4.350 0.001 0.000 0.196 349 E C 2.094 178.832 176.600 0.230 0.000 0.998 349 E CA 1.642 58.137 56.400 0.157 0.000 0.806 349 E CB -1.000 28.776 29.700 0.125 0.000 0.738 349 E HN 0.769 nan 8.360 nan 0.000 0.459 350 W N 0.520 121.895 121.300 0.124 0.000 2.407 350 W HA -0.053 4.608 4.660 0.001 0.000 0.305 350 W C 2.536 179.158 176.519 0.171 0.000 1.196 350 W CA 1.583 59.038 57.345 0.182 0.000 1.311 350 W CB 0.252 29.806 29.460 0.157 0.000 1.135 350 W HN 0.137 nan 8.180 nan 0.000 0.514 351 R N -0.987 119.838 120.500 0.541 0.000 2.115 351 R HA -0.194 4.146 4.340 0.001 0.000 0.230 351 R C 1.948 178.300 176.300 0.086 0.000 1.111 351 R CA 1.688 58.002 56.100 0.356 0.000 0.976 351 R CB -0.908 29.612 30.300 0.367 0.000 0.870 351 R HN 0.387 nan 8.270 nan 0.000 0.445 352 H N 0.653 119.721 119.070 -0.002 0.000 2.524 352 H HA 0.058 4.614 4.556 0.001 0.000 0.282 352 H C 1.459 176.662 175.328 -0.209 0.000 1.016 352 H CA 1.138 57.140 56.048 -0.076 0.000 1.270 352 H CB 0.209 29.947 29.762 -0.040 0.000 1.394 352 H HN 0.106 nan 8.280 nan 0.000 0.568 353 N N -0.709 117.767 118.700 -0.373 0.000 2.402 353 N HA -0.042 4.698 4.740 0.001 0.000 0.174 353 N C 0.562 175.473 175.510 -0.998 0.000 1.027 353 N CA 0.767 53.377 53.050 -0.735 0.000 0.891 353 N CB 0.334 38.320 38.487 -0.834 0.000 1.016 353 N HN 0.573 nan 8.380 nan 0.000 0.439 354 H N -1.153 117.544 119.070 -0.620 0.000 3.233 354 H HA 0.552 5.108 4.556 0.001 0.000 0.263 354 H C 0.389 175.455 175.328 -0.436 0.000 1.168 354 H CA -0.022 55.621 56.048 -0.675 0.000 1.159 354 H CB 1.482 30.495 29.762 -1.249 0.000 1.593 354 H HN 0.107 nan 8.280 nan 0.000 0.580 355 A N 0.566 123.255 122.820 -0.217 0.000 4.015 355 A HA 0.694 5.014 4.320 0.001 0.000 0.233 355 A C -1.396 176.175 177.584 -0.020 0.000 0.909 355 A CA -0.521 51.500 52.037 -0.025 0.000 0.683 355 A CB 0.938 20.032 19.000 0.156 0.000 1.540 355 A HN 0.075 nan 8.150 nan 0.000 0.809 356 L N 0.273 121.528 121.223 0.052 0.000 2.381 356 L HA 0.620 4.961 4.340 0.001 0.000 0.268 356 L C -1.422 175.508 176.870 0.099 0.000 0.997 356 L CA -0.928 53.950 54.840 0.064 0.000 0.818 356 L CB 2.242 44.368 42.059 0.113 0.000 1.310 356 L HN 0.360 nan 8.230 nan 0.000 0.416 357 V N 2.876 122.849 119.914 0.099 0.000 2.305 357 V HA 0.195 4.316 4.120 0.001 0.000 0.275 357 V C -0.172 176.004 176.094 0.138 0.000 1.020 357 V CA -0.559 61.817 62.300 0.126 0.000 0.811 357 V CB 0.981 32.878 31.823 0.123 0.000 1.031 357 V HN 0.466 nan 8.190 nan 0.000 0.439 358 F N 4.442 124.404 119.950 0.018 0.000 2.548 358 F HA -0.008 4.519 4.527 0.001 0.000 0.403 358 F C 1.139 176.946 175.800 0.011 0.000 1.004 358 F CA 0.376 58.385 58.000 0.016 0.000 1.177 358 F CB 0.321 39.327 39.000 0.010 0.000 0.974 358 F HN 0.388 nan 8.300 nan 0.000 0.541 359 K N 5.589 125.701 120.400 -0.480 0.000 2.307 359 K HA -0.028 4.292 4.320 0.001 0.000 0.285 359 K C -0.502 175.856 176.600 -0.403 0.000 1.073 359 K CA -0.136 55.930 56.287 -0.369 0.000 0.996 359 K CB -0.162 32.133 32.500 -0.342 0.000 0.994 359 K HN 0.525 nan 8.250 nan 0.000 0.452 360 D N 2.946 123.298 120.400 -0.079 0.000 2.363 360 D HA -0.008 4.633 4.640 0.001 0.000 0.263 360 D C 0.756 177.062 176.300 0.011 0.000 1.258 360 D CA 0.332 54.383 54.000 0.084 0.000 0.907 360 D CB 0.485 41.341 40.800 0.093 0.000 1.107 360 D HN 0.461 nan 8.370 nan 0.000 0.495 361 R N 3.414 123.954 120.500 0.066 0.000 2.738 361 R HA 0.315 4.655 4.340 0.001 0.000 0.268 361 R C -2.118 174.152 176.300 -0.051 0.000 1.062 361 R CA -0.983 55.128 56.100 0.018 0.000 1.158 361 R CB -1.237 29.115 30.300 0.087 0.000 1.046 361 R HN 0.328 nan 8.270 nan 0.000 0.493 362 P HA 0.099 nan 4.420 nan 0.000 0.263 362 P C -1.157 175.827 177.300 -0.526 0.000 1.195 362 P CA 0.015 62.873 63.100 -0.403 0.000 0.762 362 P CB 0.593 31.909 31.700 -0.639 0.000 0.799 363 D N 2.861 123.032 120.400 -0.381 0.000 2.380 363 D HA 0.127 4.767 4.640 0.001 0.000 0.230 363 D C -0.987 175.155 176.300 -0.263 0.000 1.154 363 D CA -0.382 53.472 54.000 -0.244 0.000 0.859 363 D CB -0.167 40.560 40.800 -0.123 0.000 1.045 363 D HN 0.215 nan 8.370 nan 0.000 0.495 364 Y N 2.295 122.590 120.300 -0.009 0.000 2.313 364 Y HA 0.549 5.100 4.550 0.001 0.000 0.332 364 Y C 1.262 177.100 175.900 -0.102 0.000 1.071 364 Y CA -0.730 57.323 58.100 -0.077 0.000 1.169 364 Y CB 0.994 39.392 38.460 -0.103 0.000 1.192 364 Y HN 0.384 nan 8.280 nan 0.000 0.487 365 R N 2.883 123.392 120.500 0.014 0.000 2.445 365 R HA 0.616 4.957 4.340 0.001 0.000 0.308 365 R C -1.508 174.738 176.300 -0.091 0.000 0.961 365 R CA -0.955 55.160 56.100 0.026 0.000 0.862 365 R CB 0.168 30.491 30.300 0.040 0.000 1.144 365 R HN 0.621 nan 8.270 nan 0.000 0.447 366 F N 2.215 122.151 119.950 -0.024 0.000 2.445 366 F HA 0.437 4.965 4.527 0.001 0.000 0.359 366 F C 0.673 176.454 175.800 -0.031 0.000 1.101 366 F CA -0.792 57.157 58.000 -0.084 0.000 1.177 366 F CB 1.202 40.137 39.000 -0.110 0.000 1.110 366 F HN 0.403 nan 8.300 nan 0.000 0.522 367 I N 5.722 126.337 120.570 0.075 0.000 2.297 367 I HA 0.250 4.421 4.170 0.001 0.000 0.291 367 I C -0.550 175.622 176.117 0.092 0.000 1.033 367 I CA -0.191 61.153 61.300 0.072 0.000 1.253 367 I CB 0.459 38.478 38.000 0.032 0.000 1.396 367 I HN 0.395 nan 8.210 nan 0.000 0.476 368 L N 5.685 126.978 121.223 0.116 0.000 2.334 368 L HA 0.637 4.977 4.340 0.001 0.000 0.276 368 L C 0.840 177.768 176.870 0.097 0.000 1.014 368 L CA -0.616 54.303 54.840 0.132 0.000 0.815 368 L CB 1.680 43.838 42.059 0.165 0.000 1.268 368 L HN 0.578 nan 8.230 nan 0.000 0.428 369 G N 0.053 108.913 108.800 0.100 0.000 2.616 369 G HA2 0.078 4.038 3.960 0.001 0.000 0.268 369 G HA3 0.078 4.038 3.960 0.001 0.000 0.268 369 G C 0.662 175.597 174.900 0.058 0.000 1.213 369 G CA -0.268 44.875 45.100 0.071 0.000 0.926 369 G HN 0.864 nan 8.290 nan 0.000 0.523 370 E N -0.028 120.194 120.200 0.036 0.000 2.187 370 E HA -0.251 4.100 4.350 0.001 0.000 0.199 370 E C 1.877 178.498 176.600 0.034 0.000 1.004 370 E CA 1.680 58.093 56.400 0.021 0.000 0.813 370 E CB -0.023 29.685 29.700 0.013 0.000 0.736 370 E HN 0.590 nan 8.360 nan 0.000 0.468 371 K N -1.492 118.936 120.400 0.046 0.000 2.374 371 K HA 0.143 4.463 4.320 0.001 0.000 0.196 371 K C 1.219 177.939 176.600 0.200 0.000 1.023 371 K CA 0.777 57.110 56.287 0.076 0.000 1.103 371 K CB 1.119 33.566 32.500 -0.090 0.000 0.848 371 K HN 0.223 nan 8.250 nan 0.000 0.528 372 G N 1.026 109.959 108.800 0.222 0.000 2.284 372 G HA2 -0.200 3.760 3.960 0.001 0.000 0.201 372 G HA3 -0.200 3.760 3.960 0.001 0.000 0.201 372 G C -0.357 174.771 174.900 0.381 0.000 0.998 372 G CA -0.424 44.901 45.100 0.375 0.000 0.651 372 G HN 0.284 nan 8.290 nan 0.000 0.489 373 E N 0.665 121.033 120.200 0.280 0.000 2.534 373 E HA 0.213 4.563 4.350 0.001 0.000 0.264 373 E C 0.498 177.221 176.600 0.205 0.000 0.981 373 E CA 0.409 56.953 56.400 0.239 0.000 0.948 373 E CB 1.439 31.225 29.700 0.143 0.000 0.934 373 E HN 0.236 nan 8.360 nan 0.000 0.459 374 V N 5.817 125.860 119.914 0.215 0.000 2.389 374 V HA -0.001 4.119 4.120 0.001 0.000 0.264 374 V C 1.453 177.658 176.094 0.185 0.000 1.049 374 V CA 0.110 62.517 62.300 0.179 0.000 0.932 374 V CB 0.327 32.260 31.823 0.183 0.000 1.011 374 V HN 0.566 nan 8.190 nan 0.000 0.475 375 L N 2.316 123.609 121.223 0.116 0.000 2.168 375 L HA 0.326 4.667 4.340 0.001 0.000 0.203 375 L C 0.804 177.747 176.870 0.121 0.000 1.078 375 L CA 0.928 55.847 54.840 0.133 0.000 0.780 375 L CB 0.148 42.265 42.059 0.096 0.000 0.939 375 L HN 0.624 nan 8.230 nan 0.000 0.451 376 D N -1.484 118.890 120.400 -0.042 0.000 2.692 376 D HA 0.482 5.122 4.640 0.001 0.000 0.303 376 D C -1.522 174.537 176.300 -0.401 0.000 1.278 376 D CA -0.412 53.480 54.000 -0.181 0.000 0.852 376 D CB 2.450 43.248 40.800 -0.002 0.000 1.375 376 D HN -0.145 nan 8.370 nan 0.000 0.453 377 I N 1.507 121.817 120.570 -0.433 0.000 2.590 377 I HA 0.305 4.475 4.170 0.001 0.000 0.283 377 I C -0.578 175.447 176.117 -0.155 0.000 1.154 377 I CA -0.880 60.159 61.300 -0.435 0.000 1.067 377 I CB 1.789 39.361 38.000 -0.713 0.000 1.243 377 I HN 0.189 nan 8.210 nan 0.000 0.451 378 V N 1.992 121.877 119.914 -0.048 0.000 2.876 378 V HA 0.906 5.026 4.120 0.001 0.000 0.312 378 V C 0.183 176.333 176.094 0.094 0.000 1.085 378 V CA -0.807 61.534 62.300 0.068 0.000 0.945 378 V CB 1.872 33.717 31.823 0.037 0.000 1.017 378 V HN 0.730 nan 8.190 nan 0.000 0.428 379 A N 2.339 125.211 122.820 0.087 0.000 2.395 379 A HA 0.382 4.703 4.320 0.001 0.000 0.286 379 A C 0.408 177.944 177.584 -0.080 0.000 1.193 379 A CA -0.206 51.758 52.037 -0.122 0.000 0.852 379 A CB -0.595 18.254 19.000 -0.252 0.000 1.118 379 A HN 0.931 nan 8.150 nan 0.000 0.524 380 E N 3.320 123.470 120.200 -0.084 0.000 2.491 380 E HA 0.089 4.440 4.350 0.001 0.000 0.250 380 E C -2.026 174.521 176.600 -0.088 0.000 1.061 380 E CA -0.978 55.381 56.400 -0.069 0.000 0.942 380 E CB -0.033 29.630 29.700 -0.061 0.000 0.957 380 E HN 0.463 nan 8.360 nan 0.000 0.480 381 P HA 0.046 nan 4.420 nan 0.000 0.267 381 P C -0.493 176.756 177.300 -0.085 0.000 1.205 381 P CA 0.163 63.224 63.100 -0.065 0.000 0.765 381 P CB 0.541 32.217 31.700 -0.040 0.000 0.828 382 R N 3.049 123.497 120.500 -0.087 0.000 2.198 382 R HA 0.487 4.827 4.340 0.001 0.000 0.339 382 R C 0.246 176.498 176.300 -0.080 0.000 1.020 382 R CA -0.461 55.575 56.100 -0.108 0.000 0.864 382 R CB -0.030 30.215 30.300 -0.092 0.000 1.105 382 R HN 0.543 nan 8.270 nan 0.000 0.463 383 R N 1.736 122.182 120.500 -0.089 0.000 2.943 383 R HA 0.488 4.829 4.340 0.001 0.000 0.246 383 R C 1.135 177.415 176.300 -0.033 0.000 1.201 383 R CA -0.805 55.269 56.100 -0.044 0.000 1.056 383 R CB 1.251 31.538 30.300 -0.020 0.000 1.243 383 R HN 0.562 nan 8.270 nan 0.000 0.498 384 I N 1.362 121.933 120.570 0.003 0.000 2.185 384 I HA -0.330 3.840 4.170 0.001 0.000 0.246 384 I C 1.969 178.115 176.117 0.047 0.000 1.088 384 I CA 2.173 63.487 61.300 0.024 0.000 1.347 384 I CB -0.070 37.952 38.000 0.036 0.000 1.041 384 I HN 0.813 nan 8.210 nan 0.000 0.415 385 A N 0.080 122.948 122.820 0.080 0.000 2.125 385 A HA -0.216 4.104 4.320 0.001 0.000 0.219 385 A C 1.816 179.491 177.584 0.150 0.000 1.156 385 A CA 2.130 54.265 52.037 0.162 0.000 0.671 385 A CB -0.979 18.164 19.000 0.240 0.000 0.794 385 A HN 0.641 nan 8.150 nan 0.000 0.459 386 N N -0.436 118.211 118.700 -0.088 0.000 2.173 386 N HA -0.045 4.695 4.740 0.001 0.000 0.184 386 N C 1.769 177.228 175.510 -0.085 0.000 1.025 386 N CA 1.189 54.062 53.050 -0.296 0.000 0.852 386 N CB -0.236 38.004 38.487 -0.413 0.000 0.998 386 N HN 0.446 nan 8.380 nan 0.000 0.427 387 R N 0.553 121.032 120.500 -0.035 0.000 2.120 387 R HA 0.054 4.394 4.340 0.001 0.000 0.234 387 R C 1.908 178.234 176.300 0.044 0.000 1.123 387 R CA 0.771 56.875 56.100 0.007 0.000 0.975 387 R CB -0.359 29.949 30.300 0.014 0.000 0.866 387 R HN 0.268 nan 8.270 nan 0.000 0.446 388 I N 0.015 120.625 120.570 0.066 0.000 2.163 388 I HA -0.282 3.889 4.170 0.001 0.000 0.243 388 I C 1.961 178.135 176.117 0.095 0.000 1.085 388 I CA 1.352 62.704 61.300 0.085 0.000 1.347 388 I CB -0.150 37.916 38.000 0.110 0.000 1.044 388 I HN 0.009 nan 8.210 nan 0.000 0.408 389 V N 0.528 120.524 119.914 0.137 0.000 2.667 389 V HA -0.212 3.908 4.120 0.001 0.000 0.252 389 V C 2.371 178.518 176.094 0.088 0.000 1.065 389 V CA 1.667 64.050 62.300 0.139 0.000 1.083 389 V CB -0.593 31.383 31.823 0.254 0.000 0.692 389 V HN 0.500 nan 8.190 nan 0.000 0.468 390 E N 0.234 120.473 120.200 0.066 0.000 2.046 390 E HA -0.211 4.139 4.350 0.001 0.000 0.190 390 E C 2.127 178.758 176.600 0.053 0.000 0.982 390 E CA 1.052 57.479 56.400 0.044 0.000 0.800 390 E CB -0.011 29.701 29.700 0.021 0.000 0.756 390 E HN 0.507 nan 8.360 nan 0.000 0.449 391 E N 1.088 121.322 120.200 0.057 0.000 2.085 391 E HA -0.122 4.228 4.350 0.001 0.000 0.194 391 E C 1.086 177.720 176.600 0.056 0.000 0.994 391 E CA 0.883 57.320 56.400 0.062 0.000 0.801 391 E CB -0.558 29.180 29.700 0.063 0.000 0.743 391 E HN 0.344 nan 8.360 nan 0.000 0.453 395 A N 1.290 124.177 122.820 0.111 0.000 1.908 395 A HA -0.111 4.210 4.320 0.001 0.000 0.218 395 A C 2.265 179.931 177.584 0.137 0.000 1.181 395 A CA 2.522 54.602 52.037 0.072 0.000 0.627 395 A CB -0.667 18.346 19.000 0.022 0.000 0.818 395 A HN 0.497 nan 8.150 nan 0.000 0.445 396 A N -0.394 122.525 122.820 0.164 0.000 2.015 396 A HA -0.140 4.180 4.320 0.001 0.000 0.219 396 A C 1.859 179.770 177.584 0.545 0.000 1.163 396 A CA 1.647 53.877 52.037 0.322 0.000 0.646 396 A CB -0.435 18.677 19.000 0.187 0.000 0.806 396 A HN 0.547 nan 8.150 nan 0.000 0.448 397 N N -0.458 118.404 118.700 0.270 0.000 2.415 397 N HA 0.098 4.839 4.740 0.001 0.000 0.176 397 N C 1.506 177.037 175.510 0.035 0.000 1.042 397 N CA 0.639 53.760 53.050 0.117 0.000 0.902 397 N CB -0.152 38.168 38.487 -0.278 0.000 0.986 397 N HN 0.524 nan 8.380 nan 0.000 0.447 398 I N 0.390 121.070 120.570 0.183 0.000 2.252 398 I HA -0.257 3.913 4.170 0.001 0.000 0.245 398 I C 2.057 178.265 176.117 0.152 0.000 1.102 398 I CA 0.733 62.146 61.300 0.188 0.000 1.385 398 I CB -0.190 37.903 38.000 0.156 0.000 1.064 398 I HN 0.102 nan 8.210 nan 0.000 0.414 399 C N 0.756 120.175 119.300 0.198 0.000 2.413 399 C HA -0.177 4.284 4.460 0.001 0.000 0.276 399 C C 3.212 178.324 174.990 0.205 0.000 1.236 399 C CA 0.942 60.103 59.018 0.238 0.000 1.735 399 C CB -1.329 26.586 27.740 0.292 0.000 2.031 399 C HN 0.606 nan 8.230 nan 0.000 0.474 400 A N 0.614 123.523 122.820 0.147 0.000 1.908 400 A HA -0.011 4.310 4.320 0.001 0.000 0.218 400 A C 2.365 179.789 177.584 -0.267 0.000 1.181 400 A CA 2.316 54.146 52.037 -0.345 0.000 0.627 400 A CB -0.939 17.829 19.000 -0.387 0.000 0.818 400 A HN 0.608 nan 8.150 nan 0.000 0.445 401 A N -0.067 122.691 122.820 -0.105 0.000 1.877 401 A HA -0.179 4.141 4.320 0.001 0.000 0.216 401 A C 2.260 179.918 177.584 0.123 0.000 1.186 401 A CA 1.560 53.601 52.037 0.007 0.000 0.620 401 A CB -0.489 18.605 19.000 0.156 0.000 0.822 401 A HN 0.582 nan 8.150 nan 0.000 0.443 402 R N -0.713 119.838 120.500 0.085 0.000 2.081 402 R HA -0.064 4.277 4.340 0.001 0.000 0.235 402 R C 2.052 178.362 176.300 0.017 0.000 1.131 402 R CA 1.441 57.584 56.100 0.072 0.000 0.960 402 R CB -0.692 29.652 30.300 0.072 0.000 0.856 402 R HN 0.387 nan 8.270 nan 0.000 0.436 403 V N 1.801 121.688 119.914 -0.045 0.000 2.270 403 V HA -0.199 3.921 4.120 0.001 0.000 0.245 403 V C 2.360 178.358 176.094 -0.161 0.000 1.043 403 V CA 1.590 63.822 62.300 -0.114 0.000 1.014 403 V CB -0.431 31.275 31.823 -0.194 0.000 0.645 403 V HN 0.265 nan 8.190 nan 0.000 0.447 404 L N -0.317 120.778 121.223 -0.213 0.000 2.187 404 L HA -0.208 4.132 4.340 0.001 0.000 0.213 404 L C 2.660 179.485 176.870 -0.075 0.000 1.100 404 L CA 1.615 56.336 54.840 -0.198 0.000 0.765 404 L CB -0.520 41.406 42.059 -0.221 0.000 0.904 404 L HN 0.317 nan 8.230 nan 0.000 0.437 405 R N 0.207 120.729 120.500 0.037 0.000 2.055 405 R HA -0.139 4.201 4.340 0.001 0.000 0.228 405 R C 1.888 178.173 176.300 -0.025 0.000 1.143 405 R CA 1.848 57.967 56.100 0.032 0.000 0.945 405 R CB -0.031 30.307 30.300 0.064 0.000 0.841 405 R HN 0.277 nan 8.270 nan 0.000 0.429 406 D N 0.198 120.583 120.400 -0.024 0.000 2.123 406 D HA -0.099 4.542 4.640 0.001 0.000 0.200 406 D C 1.916 178.186 176.300 -0.051 0.000 0.976 406 D CA 1.877 55.862 54.000 -0.026 0.000 0.831 406 D CB -0.176 40.617 40.800 -0.012 0.000 0.974 406 D HN 0.371 nan 8.370 nan 0.000 0.469 407 K N 0.244 120.592 120.400 -0.086 0.000 2.361 407 K HA 0.220 4.540 4.320 0.001 0.000 0.196 407 K C 2.023 178.530 176.600 -0.156 0.000 1.039 407 K CA 0.304 56.527 56.287 -0.106 0.000 1.001 407 K CB -0.100 32.330 32.500 -0.116 0.000 0.795 407 K HN 0.176 nan 8.250 nan 0.000 0.495 408 L N -3.183 117.904 121.223 -0.227 0.000 2.688 408 L HA 0.305 4.645 4.340 0.001 0.000 0.216 408 L C 1.738 178.409 176.870 -0.332 0.000 1.036 408 L CA 0.631 55.222 54.840 -0.414 0.000 0.906 408 L CB 1.079 42.655 42.059 -0.806 0.000 1.501 408 L HN 0.469 nan 8.230 nan 0.000 0.489 409 G N 1.192 109.869 108.800 -0.205 0.000 2.175 409 G HA2 -0.277 3.684 3.960 0.001 0.000 0.244 409 G HA3 -0.277 3.684 3.960 0.001 0.000 0.244 409 G C 0.005 174.997 174.900 0.152 0.000 0.982 409 G CA 0.322 45.428 45.100 0.010 0.000 0.641 409 G HN 0.359 nan 8.290 nan 0.000 0.527 410 F N -2.615 117.380 119.950 0.075 0.000 2.741 410 F HA 0.823 5.350 4.527 0.001 0.000 0.313 410 F C 0.264 176.215 175.800 0.252 0.000 1.153 410 F CA -0.636 57.443 58.000 0.132 0.000 0.931 410 F CB 0.934 39.975 39.000 0.068 0.000 1.335 410 F HN 1.133 nan 8.300 nan 0.000 0.460 411 G N 0.345 109.456 108.800 0.519 0.000 2.320 411 G HA2 0.404 4.364 3.960 0.001 0.000 0.296 411 G HA3 0.404 4.364 3.960 0.001 0.000 0.296 411 G C -2.286 172.775 174.900 0.267 0.000 1.306 411 G CA -1.055 44.194 45.100 0.248 0.000 0.836 411 G HN 0.703 nan 8.290 nan 0.000 0.517 412 I N 1.419 122.007 120.570 0.031 0.000 2.308 412 I HA 0.345 4.515 4.170 0.001 0.000 0.293 412 I C -0.740 175.345 176.117 -0.052 0.000 1.078 412 I CA -0.283 61.053 61.300 0.061 0.000 1.292 412 I CB -0.327 37.681 38.000 0.013 0.000 1.423 412 I HN 0.305 nan 8.210 nan 0.000 0.493 413 Y N 4.645 125.002 120.300 0.095 0.000 2.487 413 Y HA 0.372 4.922 4.550 0.001 0.000 0.337 413 Y C 0.693 176.699 175.900 0.176 0.000 1.076 413 Y CA -0.781 57.391 58.100 0.121 0.000 1.115 413 Y CB 1.470 40.004 38.460 0.124 0.000 1.235 413 Y HN 0.421 nan 8.280 nan 0.000 0.468 414 N N 2.414 121.356 118.700 0.405 0.000 2.469 414 N HA 0.403 5.143 4.740 0.001 0.000 0.253 414 N C -1.225 174.611 175.510 0.543 0.000 0.970 414 N CA -0.262 53.058 53.050 0.450 0.000 0.940 414 N CB 1.883 40.665 38.487 0.491 0.000 1.128 414 N HN 0.415 nan 8.380 nan 0.000 0.503 415 V N -0.135 119.975 119.914 0.327 0.000 2.769 415 V HA 0.651 4.771 4.120 0.001 0.000 0.312 415 V C -0.275 175.797 176.094 -0.037 0.000 1.058 415 V CA -0.458 61.953 62.300 0.185 0.000 0.952 415 V CB 2.179 34.080 31.823 0.130 0.000 1.019 415 V HN 0.721 nan 8.190 nan 0.000 0.445 419 F N 1.510 121.470 119.950 0.018 0.000 2.629 419 F HA 0.190 4.718 4.527 0.001 0.000 0.369 419 F C 1.198 176.982 175.800 -0.027 0.000 1.125 419 F CA 0.339 58.373 58.000 0.058 0.000 1.330 419 F CB 0.565 39.641 39.000 0.126 0.000 1.071 419 F HN 0.250 nan 8.300 nan 0.000 0.595 420 D N 4.386 124.903 120.400 0.195 0.000 2.350 420 D HA 0.101 4.741 4.640 0.001 0.000 0.249 420 D C -1.687 174.676 176.300 0.106 0.000 1.119 420 D CA -1.785 52.275 54.000 0.100 0.000 0.886 420 D CB 1.672 42.531 40.800 0.098 0.000 1.195 420 D HN 0.155 nan 8.370 nan 0.000 0.437 421 P HA -0.151 nan 4.420 nan 0.000 0.216 421 P C 0.979 178.304 177.300 0.042 0.000 1.150 421 P CA 1.702 64.832 63.100 0.050 0.000 0.843 421 P CB 0.138 31.860 31.700 0.037 0.000 0.787 422 A N 0.261 123.112 122.820 0.051 0.000 1.859 422 A HA -0.278 4.042 4.320 0.001 0.000 0.217 422 A C 2.097 179.717 177.584 0.059 0.000 1.198 422 A CA 2.317 54.386 52.037 0.054 0.000 0.629 422 A CB -1.737 17.301 19.000 0.065 0.000 0.830 422 A HN 0.144 nan 8.150 nan 0.000 0.446 423 N N 0.204 118.963 118.700 0.098 0.000 2.519 423 N HA -0.028 4.712 4.740 0.001 0.000 0.186 423 N C 1.605 177.061 175.510 -0.090 0.000 1.062 423 N CA 1.102 54.223 53.050 0.118 0.000 0.910 423 N CB -0.512 38.157 38.487 0.303 0.000 0.958 423 N HN 0.539 nan 8.380 nan 0.000 0.445 424 A N 1.352 124.126 122.820 -0.077 0.000 1.845 424 A HA -0.162 4.158 4.320 0.001 0.000 0.215 424 A C 1.812 179.270 177.584 -0.209 0.000 1.195 424 A CA 1.542 53.481 52.037 -0.163 0.000 0.616 424 A CB -0.543 18.416 19.000 -0.069 0.000 0.832 424 A HN 0.158 nan 8.150 nan 0.000 0.443 425 D N 0.236 120.564 120.400 -0.120 0.000 2.126 425 D HA -0.202 4.439 4.640 0.001 0.000 0.190 425 D C 2.120 178.331 176.300 -0.148 0.000 1.001 425 D CA 1.961 55.900 54.000 -0.102 0.000 0.841 425 D CB -0.512 40.259 40.800 -0.048 0.000 0.949 425 D HN 0.460 nan 8.370 nan 0.000 0.446 426 A N 0.363 123.083 122.820 -0.166 0.000 2.066 426 A HA -0.071 4.249 4.320 0.001 0.000 0.218 426 A C 2.147 179.474 177.584 -0.430 0.000 1.157 426 A CA 0.619 52.555 52.037 -0.169 0.000 0.670 426 A CB -0.428 18.569 19.000 -0.005 0.000 0.804 426 A HN 0.217 nan 8.150 nan 0.000 0.453 427 L N -0.251 120.532 121.223 -0.732 0.000 2.005 427 L HA 0.014 4.354 4.340 0.001 0.000 0.207 427 L C 2.632 179.221 176.870 -0.468 0.000 1.072 427 L CA 2.233 56.508 54.840 -0.943 0.000 0.744 427 L CB -0.768 40.694 42.059 -0.996 0.000 0.895 427 L HN 0.281 nan 8.230 nan 0.000 0.433 428 A N -0.388 122.232 122.820 -0.335 0.000 1.933 428 A HA -0.103 4.218 4.320 0.001 0.000 0.218 428 A C 2.420 179.932 177.584 -0.120 0.000 1.175 428 A CA 1.891 53.807 52.037 -0.202 0.000 0.628 428 A CB -1.192 17.720 19.000 -0.148 0.000 0.814 428 A HN 0.617 nan 8.150 nan 0.000 0.444 429 A N -0.516 122.235 122.820 -0.115 0.000 1.855 429 A HA -0.001 4.320 4.320 0.001 0.000 0.215 429 A C 2.069 179.635 177.584 -0.029 0.000 1.191 429 A CA 1.633 53.637 52.037 -0.054 0.000 0.613 429 A CB -0.732 18.243 19.000 -0.042 0.000 0.829 429 A HN 0.633 nan 8.150 nan 0.000 0.442 430 L N -0.221 120.983 121.223 -0.032 0.000 2.051 430 L HA -0.194 4.147 4.340 0.001 0.000 0.214 430 L C 2.283 179.216 176.870 0.104 0.000 1.076 430 L CA 1.800 56.676 54.840 0.060 0.000 0.758 430 L CB -0.555 41.569 42.059 0.108 0.000 0.890 430 L HN 0.434 nan 8.230 nan 0.000 0.433 431 L N -0.937 120.292 121.223 0.011 0.000 2.095 431 L HA -0.188 4.153 4.340 0.001 0.000 0.204 431 L C 2.605 179.516 176.870 0.067 0.000 1.080 431 L CA 1.427 56.288 54.840 0.035 0.000 0.759 431 L CB -0.554 41.464 42.059 -0.068 0.000 0.914 431 L HN 0.355 nan 8.230 nan 0.000 0.439 432 K N 0.145 120.564 120.400 0.031 0.000 2.020 432 K HA -0.234 4.087 4.320 0.001 0.000 0.212 432 K C 1.920 178.533 176.600 0.023 0.000 1.050 432 K CA 2.136 58.446 56.287 0.038 0.000 0.929 432 K CB -1.330 31.187 32.500 0.028 0.000 0.714 432 K HN 0.322 nan 8.250 nan 0.000 0.443 433 T N -0.911 113.635 114.554 -0.013 0.000 2.760 433 T HA -0.225 4.126 4.350 0.001 0.000 0.269 433 T C 1.535 176.150 174.700 -0.142 0.000 1.047 433 T CA 1.511 63.552 62.100 -0.098 0.000 1.139 433 T CB -0.648 68.120 68.868 -0.166 0.000 0.855 433 T HN 0.370 nan 8.240 nan 0.000 0.471 434 H N 0.915 120.009 119.070 0.040 0.000 2.526 434 H HA 0.353 4.909 4.556 0.001 0.000 0.274 434 H C 1.898 177.254 175.328 0.048 0.000 0.999 434 H CA 0.324 56.409 56.048 0.062 0.000 1.157 434 H CB 0.011 29.814 29.762 0.069 0.000 1.407 434 H HN 0.673 nan 8.280 nan 0.000 0.568 435 G N 1.239 110.103 108.800 0.107 0.000 2.137 435 G HA2 -0.254 3.707 3.960 0.001 0.000 0.237 435 G HA3 -0.254 3.707 3.960 0.001 0.000 0.237 435 G C -0.249 174.697 174.900 0.077 0.000 1.002 435 G CA 0.204 45.349 45.100 0.076 0.000 0.702 435 G HN 0.282 nan 8.290 nan 0.000 0.515 436 L N 0.951 122.222 121.223 0.081 0.000 2.316 436 L HA 0.727 5.067 4.340 0.001 0.000 0.280 436 L C 0.014 176.920 176.870 0.061 0.000 1.006 436 L CA -1.769 53.104 54.840 0.054 0.000 0.836 436 L CB 1.124 43.195 42.059 0.021 0.000 1.221 436 L HN 0.332 nan 8.230 nan 0.000 0.418 437 H N 4.358 123.414 119.070 -0.023 0.000 2.742 437 H HA 0.670 5.226 4.556 0.001 0.000 0.302 437 H C -1.410 173.889 175.328 -0.047 0.000 1.069 437 H CA -0.237 55.791 56.048 -0.033 0.000 1.446 437 H CB 0.842 30.588 29.762 -0.026 0.000 1.462 437 H HN 0.401 nan 8.280 nan 0.000 0.499 438 V N 5.714 125.310 119.914 -0.530 0.000 2.808 438 V HA 0.139 4.259 4.120 0.001 0.000 0.308 438 V C -0.470 175.387 176.094 -0.394 0.000 1.099 438 V CA -1.081 60.932 62.300 -0.479 0.000 0.920 438 V CB 2.091 33.751 31.823 -0.271 0.000 1.014 438 V HN 0.837 nan 8.190 nan 0.000 0.425 439 D N 2.584 122.794 120.400 -0.316 0.000 2.280 439 D HA 0.453 5.094 4.640 0.001 0.000 0.243 439 D C 0.982 177.223 176.300 -0.098 0.000 1.129 439 D CA 0.348 54.268 54.000 -0.134 0.000 0.848 439 D CB 2.303 43.060 40.800 -0.072 0.000 1.107 439 D HN 0.662 nan 8.370 nan 0.000 0.471 440 A N 3.894 126.668 122.820 -0.075 0.000 1.917 440 A HA -0.267 4.053 4.320 0.001 0.000 0.219 440 A C 2.016 179.583 177.584 -0.029 0.000 1.182 440 A CA 2.560 54.553 52.037 -0.073 0.000 0.633 440 A CB -0.712 18.252 19.000 -0.059 0.000 0.819 440 A HN 0.711 nan 8.150 nan 0.000 0.448 441 E N -0.373 119.822 120.200 -0.008 0.000 2.028 441 E HA -0.205 4.145 4.350 0.001 0.000 0.190 441 E C 1.921 178.542 176.600 0.036 0.000 0.984 441 E CA 1.458 57.869 56.400 0.018 0.000 0.800 441 E CB -0.852 28.859 29.700 0.019 0.000 0.758 441 E HN 0.831 nan 8.360 nan 0.000 0.448 442 E N 0.016 120.228 120.200 0.020 0.000 2.160 442 E HA -0.141 4.209 4.350 0.001 0.000 0.195 442 E C 2.173 178.816 176.600 0.071 0.000 0.991 442 E CA 1.196 57.615 56.400 0.031 0.000 0.810 442 E CB -0.142 29.555 29.700 -0.005 0.000 0.742 442 E HN 0.353 nan 8.360 nan 0.000 0.466 443 V N 1.133 121.081 119.914 0.057 0.000 2.469 443 V HA -0.242 3.879 4.120 0.001 0.000 0.251 443 V C 2.136 178.423 176.094 0.320 0.000 1.064 443 V CA 1.345 63.726 62.300 0.135 0.000 1.066 443 V CB -0.348 31.468 31.823 -0.011 0.000 0.667 443 V HN 0.349 nan 8.190 nan 0.000 0.461 444 L N 0.336 121.704 121.223 0.241 0.000 2.599 444 L HA 0.078 4.418 4.340 0.001 0.000 0.230 444 L C 1.165 178.267 176.870 0.387 0.000 1.141 444 L CA 0.327 55.344 54.840 0.296 0.000 0.877 444 L CB -0.731 41.427 42.059 0.164 0.000 1.009 444 L HN 0.467 nan 8.230 nan 0.000 0.447 445 T N -3.581 111.165 114.554 0.319 0.000 2.907 445 T HA 0.274 4.624 4.350 0.001 0.000 0.284 445 T C 0.978 175.749 174.700 0.119 0.000 1.004 445 T CA -0.691 61.546 62.100 0.229 0.000 1.063 445 T CB 2.293 71.226 68.868 0.108 0.000 0.992 445 T HN -0.066 nan 8.240 nan 0.000 0.483 446 L N 2.865 123.921 121.223 -0.279 0.000 1.991 446 L HA -0.081 4.259 4.340 0.001 0.000 0.221 446 L C 2.792 179.549 176.870 -0.189 0.000 1.079 446 L CA 3.273 57.712 54.840 -0.669 0.000 0.778 446 L CB -1.208 40.488 42.059 -0.606 0.000 0.893 446 L HN 1.042 nan 8.230 nan 0.000 0.437 447 D N -1.909 118.438 120.400 -0.089 0.000 2.123 447 D HA -0.117 4.524 4.640 0.001 0.000 0.196 447 D C 2.055 178.361 176.300 0.010 0.000 0.992 447 D CA 1.461 55.441 54.000 -0.033 0.000 0.833 447 D CB -1.291 39.493 40.800 -0.027 0.000 0.954 447 D HN 0.605 nan 8.370 nan 0.000 0.455 448 G N -1.086 107.743 108.800 0.050 0.000 2.404 448 G HA2 0.008 3.969 3.960 0.001 0.000 0.215 448 G HA3 0.008 3.969 3.960 0.001 0.000 0.215 448 G C 1.468 176.432 174.900 0.107 0.000 1.174 448 G CA 0.963 46.099 45.100 0.060 0.000 0.780 448 G HN 0.495 nan 8.290 nan 0.000 0.537 449 F N 1.480 121.476 119.950 0.078 0.000 2.043 449 F HA -0.231 4.297 4.527 0.001 0.000 0.297 449 F C 2.785 178.628 175.800 0.072 0.000 1.121 449 F CA 1.926 60.029 58.000 0.171 0.000 1.199 449 F CB -0.601 38.573 39.000 0.291 0.000 0.968 449 F HN 0.209 nan 8.300 nan 0.000 0.478 450 C N 0.783 120.198 119.300 0.191 0.000 2.403 450 C HA -0.211 4.249 4.460 0.001 0.000 0.277 450 C C 3.038 177.977 174.990 -0.085 0.000 1.248 450 C CA 1.907 60.946 59.018 0.035 0.000 1.762 450 C CB -1.843 25.912 27.740 0.025 0.000 2.014 450 C HN 0.647 nan 8.230 nan 0.000 0.486 451 K N 0.263 120.620 120.400 -0.072 0.000 2.026 451 K HA -0.142 4.179 4.320 0.001 0.000 0.208 451 K C 1.797 178.325 176.600 -0.120 0.000 1.048 451 K CA 1.812 58.043 56.287 -0.093 0.000 0.929 451 K CB -1.028 31.427 32.500 -0.075 0.000 0.713 451 K HN 0.490 nan 8.250 nan 0.000 0.439 452 L N 0.386 121.520 121.223 -0.148 0.000 2.046 452 L HA -0.017 4.323 4.340 0.001 0.000 0.208 452 L C 2.553 179.311 176.870 -0.187 0.000 1.077 452 L CA 2.217 56.954 54.840 -0.171 0.000 0.747 452 L CB -0.391 41.552 42.059 -0.195 0.000 0.896 452 L HN 0.424 nan 8.230 nan 0.000 0.432 453 R N -0.278 120.066 120.500 -0.260 0.000 2.081 453 R HA -0.101 4.240 4.340 0.001 0.000 0.235 453 R C 2.428 178.647 176.300 -0.136 0.000 1.131 453 R CA 1.626 57.591 56.100 -0.226 0.000 0.960 453 R CB -0.290 29.854 30.300 -0.261 0.000 0.856 453 R HN 0.333 nan 8.270 nan 0.000 0.436 454 R N 0.008 120.434 120.500 -0.124 0.000 2.115 454 R HA -0.065 4.276 4.340 0.001 0.000 0.226 454 R C 2.043 178.294 176.300 -0.081 0.000 1.100 454 R CA 1.680 57.720 56.100 -0.099 0.000 0.980 454 R CB -0.068 30.162 30.300 -0.117 0.000 0.875 454 R HN 0.455 nan 8.270 nan 0.000 0.445 455 E N 0.726 120.875 120.200 -0.086 0.000 2.028 455 E HA -0.177 4.173 4.350 0.001 0.000 0.191 455 E C 2.088 178.652 176.600 -0.060 0.000 0.988 455 E CA 0.968 57.328 56.400 -0.067 0.000 0.799 455 E CB -0.206 29.451 29.700 -0.071 0.000 0.755 455 E HN 0.244 nan 8.360 nan 0.000 0.447 456 L N 1.781 122.959 121.223 -0.075 0.000 1.971 456 L HA -0.246 4.094 4.340 0.001 0.000 0.215 456 L C 2.136 178.971 176.870 -0.057 0.000 1.072 456 L CA 1.364 56.165 54.840 -0.066 0.000 0.758 456 L CB -0.627 41.386 42.059 -0.076 0.000 0.889 456 L HN 0.113 nan 8.230 nan 0.000 0.433 457 D N 0.158 120.518 120.400 -0.067 0.000 2.263 457 D HA -0.148 4.493 4.640 0.001 0.000 0.208 457 D C 2.041 178.316 176.300 -0.041 0.000 0.971 457 D CA 1.399 55.361 54.000 -0.062 0.000 0.867 457 D CB -0.028 40.728 40.800 -0.072 0.000 0.929 457 D HN 0.381 nan 8.370 nan 0.000 0.492 458 A N 0.553 123.352 122.820 -0.035 0.000 2.206 458 A HA -0.076 4.244 4.320 0.001 0.000 0.211 458 A C 1.200 178.776 177.584 -0.014 0.000 1.158 458 A CA 0.323 52.347 52.037 -0.021 0.000 0.761 458 A CB -0.027 18.961 19.000 -0.020 0.000 0.801 458 A HN 0.027 nan 8.150 nan 0.000 0.473 459 Q N 0.041 119.833 119.800 -0.014 0.000 2.373 459 Q HA 0.140 4.481 4.340 0.001 0.000 0.255 459 Q C -1.495 174.508 176.000 0.005 0.000 0.980 459 Q CA -1.639 54.164 55.803 0.001 0.000 0.882 459 Q CB 0.312 29.054 28.738 0.007 0.000 1.249 459 Q HN 0.253 nan 8.270 nan 0.000 0.438 460 P HA -0.083 nan 4.420 nan 0.000 0.223 460 P C 0.273 177.583 177.300 0.017 0.000 1.151 460 P CA 1.098 64.204 63.100 0.010 0.000 0.787 460 P CB 0.366 32.073 31.700 0.011 0.000 0.788 461 T N -5.775 108.798 114.554 0.032 0.000 2.883 461 T HA 0.583 4.934 4.350 0.001 0.000 0.296 461 T C 1.029 175.763 174.700 0.057 0.000 1.117 461 T CA -0.316 61.812 62.100 0.047 0.000 1.006 461 T CB 1.369 70.276 68.868 0.066 0.000 1.191 461 T HN -0.090 nan 8.240 nan 0.000 0.508 462 G N -0.064 108.770 108.800 0.058 0.000 2.956 462 G HA2 0.083 4.043 3.960 0.001 0.000 0.207 462 G HA3 0.083 4.043 3.960 0.001 0.000 0.207 462 G C 0.765 175.703 174.900 0.064 0.000 1.162 462 G CA -0.170 44.955 45.100 0.042 0.000 0.796 462 G HN 0.656 nan 8.290 nan 0.000 0.527 463 F N 1.167 121.096 119.950 -0.035 0.000 2.069 463 F HA -0.101 4.426 4.527 0.001 0.000 0.298 463 F C 2.357 178.098 175.800 -0.098 0.000 1.113 463 F CA 1.322 59.291 58.000 -0.051 0.000 1.214 463 F CB -0.167 38.807 39.000 -0.044 0.000 0.978 463 F HN 0.080 nan 8.300 nan 0.000 0.474 464 L N -0.102 121.002 121.223 -0.197 0.000 2.012 464 L HA -0.262 4.079 4.340 0.001 0.000 0.210 464 L C 2.320 179.050 176.870 -0.233 0.000 1.073 464 L CA 2.005 56.661 54.840 -0.307 0.000 0.748 464 L CB -1.042 40.937 42.059 -0.133 0.000 0.891 464 L HN 0.182 nan 8.230 nan 0.000 0.431 465 D N 0.185 120.509 120.400 -0.127 0.000 2.133 465 D HA -0.220 4.420 4.640 0.001 0.000 0.192 465 D C 2.293 178.538 176.300 -0.090 0.000 1.001 465 D CA 1.894 55.847 54.000 -0.079 0.000 0.844 465 D CB 0.034 40.804 40.800 -0.049 0.000 0.944 465 D HN 0.340 nan 8.370 nan 0.000 0.447 466 S N -0.708 114.908 115.700 -0.140 0.000 2.419 466 S HA -0.127 4.343 4.470 0.001 0.000 0.233 466 S C 1.862 176.350 174.600 -0.188 0.000 1.016 466 S CA 0.483 58.603 58.200 -0.134 0.000 0.974 466 S CB -0.248 62.881 63.200 -0.118 0.000 0.786 466 S HN 0.113 nan 8.310 nan 0.000 0.492 467 R N 1.678 121.981 120.500 -0.329 0.000 2.328 467 R HA 0.217 4.558 4.340 0.001 0.000 0.207 467 R C 1.855 178.125 176.300 -0.049 0.000 1.056 467 R CA 0.842 56.776 56.100 -0.275 0.000 1.016 467 R CB -1.145 28.884 30.300 -0.453 0.000 0.872 467 R HN 0.887 nan 8.270 nan 0.000 0.471 468 I N -3.664 116.915 120.570 0.016 0.000 4.081 468 I HA 0.247 4.417 4.170 0.001 0.000 0.333 468 I C 1.309 177.528 176.117 0.169 0.000 1.413 468 I CA -0.299 61.140 61.300 0.232 0.000 1.110 468 I CB 0.332 38.485 38.000 0.254 0.000 1.082 468 I HN -0.233 nan 8.210 nan 0.000 0.402 469 R N 1.833 122.353 120.500 0.033 0.000 2.117 469 R HA -0.131 4.209 4.340 0.001 0.000 0.243 469 R C 2.078 178.360 176.300 -0.031 0.000 1.143 469 R CA 1.945 58.053 56.100 0.014 0.000 0.968 469 R CB -0.424 29.880 30.300 0.007 0.000 0.863 469 R HN 0.473 nan 8.270 nan 0.000 0.444 470 R N -0.287 120.113 120.500 -0.166 0.000 2.105 470 R HA -0.118 4.222 4.340 0.001 0.000 0.239 470 R C 1.703 177.832 176.300 -0.285 0.000 1.135 470 R CA 1.477 57.386 56.100 -0.318 0.000 0.967 470 R CB -0.261 29.642 30.300 -0.661 0.000 0.861 470 R HN 0.247 nan 8.270 nan 0.000 0.442 471 F N 0.904 120.924 119.950 0.117 0.000 2.789 471 F HA 0.085 4.612 4.527 0.001 0.000 0.300 471 F C 0.734 176.690 175.800 0.259 0.000 1.132 471 F CA -0.125 57.997 58.000 0.204 0.000 1.404 471 F CB 0.081 39.209 39.000 0.214 0.000 1.114 471 F HN -0.102 nan 8.300 nan 0.000 0.584 472 Q N 1.437 121.364 119.800 0.211 0.000 2.296 472 Q HA 0.201 4.541 4.340 0.001 0.000 0.262 472 Q C 0.485 176.293 176.000 -0.320 0.000 0.981 472 Q CA -0.392 55.358 55.803 -0.088 0.000 0.905 472 Q CB 1.249 29.888 28.738 -0.166 0.000 1.186 472 Q HN 0.252 nan 8.270 nan 0.000 0.399 473 S N 1.852 117.340 115.700 -0.354 0.000 2.681 473 S HA 0.572 5.042 4.470 0.001 0.000 0.270 473 S C -0.501 173.666 174.600 -0.722 0.000 1.209 473 S CA -0.619 57.340 58.200 -0.401 0.000 0.988 473 S CB 0.620 63.645 63.200 -0.291 0.000 1.006 473 S HN 0.382 nan 8.310 nan 0.000 0.558 474 F N -0.081 119.659 119.950 -0.351 0.000 2.522 474 F HA 0.680 5.207 4.527 0.001 0.000 0.324 474 F C 0.724 176.248 175.800 -0.459 0.000 1.077 474 F CA -0.838 56.968 58.000 -0.323 0.000 0.944 474 F CB 1.600 40.518 39.000 -0.136 0.000 1.175 474 F HN 0.881 nan 8.300 nan 0.000 0.468 475 A N 2.101 124.842 122.820 -0.131 0.000 2.462 475 A HA 0.472 4.792 4.320 0.001 0.000 0.243 475 A C -0.232 177.361 177.584 0.015 0.000 1.076 475 A CA -0.253 51.729 52.037 -0.092 0.000 0.773 475 A CB -0.077 19.023 19.000 0.167 0.000 1.010 475 A HN 0.812 nan 8.150 nan 0.000 0.493 476 E N 1.325 121.535 120.200 0.016 0.000 2.410 476 E HA 0.680 5.031 4.350 0.001 0.000 0.269 476 E C -1.433 175.241 176.600 0.123 0.000 0.937 476 E CA -0.902 55.536 56.400 0.063 0.000 0.793 476 E CB 1.324 31.042 29.700 0.029 0.000 1.314 476 E HN 0.448 nan 8.360 nan 0.000 0.447 477 I N 1.156 121.805 120.570 0.133 0.000 2.353 477 I HA 0.314 4.485 4.170 0.001 0.000 0.293 477 I C -0.099 176.106 176.117 0.147 0.000 0.992 477 I CA -0.171 61.229 61.300 0.167 0.000 1.268 477 I CB 1.695 39.801 38.000 0.178 0.000 1.387 477 I HN 0.380 nan 8.210 nan 0.000 0.478 478 S N 1.898 117.708 115.700 0.182 0.000 2.599 478 S HA 0.463 4.934 4.470 0.001 0.000 0.287 478 S C 0.592 175.320 174.600 0.214 0.000 1.105 478 S CA -0.345 57.950 58.200 0.158 0.000 0.899 478 S CB 1.551 64.824 63.200 0.122 0.000 1.100 478 S HN 0.742 nan 8.310 nan 0.000 0.482 479 T N -0.652 114.002 114.554 0.167 0.000 3.086 479 T HA 0.307 4.657 4.350 0.001 0.000 0.250 479 T C 0.144 174.957 174.700 0.189 0.000 1.074 479 T CA 0.005 62.233 62.100 0.214 0.000 0.988 479 T CB -0.004 68.949 68.868 0.142 0.000 0.988 479 T HN 0.381 nan 8.240 nan 0.000 0.530 480 E N 2.508 122.749 120.200 0.069 0.000 2.158 480 E HA 0.470 4.820 4.350 0.001 0.000 0.271 480 E C -2.988 173.423 176.600 -0.316 0.000 0.911 480 E CA -3.002 53.362 56.400 -0.061 0.000 0.767 480 E CB 1.358 31.044 29.700 -0.023 0.000 1.120 480 E HN 0.030 nan 8.360 nan 0.000 0.405 481 P HA 0.210 nan 4.420 nan 0.000 0.261 481 P C -0.569 176.531 177.300 -0.334 0.000 1.183 481 P CA 0.282 62.803 63.100 -0.964 0.000 0.761 481 P CB 0.827 32.124 31.700 -0.672 0.000 0.785 482 G N 3.540 112.236 108.800 -0.173 0.000 2.649 482 G HA2 0.572 4.533 3.960 0.001 0.000 0.290 482 G HA3 0.572 4.533 3.960 0.001 0.000 0.290 482 G C -3.251 171.720 174.900 0.118 0.000 1.426 482 G CA -1.181 43.919 45.100 0.001 0.000 0.794 482 G HN 0.193 nan 8.290 nan 0.000 0.483 483 P HA 0.184 nan 4.420 nan 0.000 0.273 483 P C -1.130 176.358 177.300 0.313 0.000 1.250 483 P CA -0.083 63.159 63.100 0.238 0.000 0.793 483 P CB 1.008 32.868 31.700 0.267 0.000 1.011 484 H N 1.106 120.295 119.070 0.198 0.000 2.854 484 H HA 0.239 4.795 4.556 0.001 0.000 0.275 484 H C 0.293 175.640 175.328 0.032 0.000 1.198 484 H CA -0.540 55.609 56.048 0.169 0.000 1.489 484 H CB -0.092 29.761 29.762 0.151 0.000 1.519 484 H HN 0.121 nan 8.280 nan 0.000 0.503 485 F N 2.518 122.256 119.950 -0.353 0.000 2.171 485 F HA -0.062 4.465 4.527 0.001 0.000 0.300 485 F C 2.631 178.136 175.800 -0.492 0.000 1.090 485 F CA 1.607 59.199 58.000 -0.681 0.000 1.293 485 F CB -0.681 37.449 39.000 -1.449 0.000 1.013 485 F HN 0.643 nan 8.300 nan 0.000 0.486 486 G N -0.178 108.355 108.800 -0.445 0.000 2.507 486 G HA2 -0.238 3.723 3.960 0.001 0.000 0.221 486 G HA3 -0.238 3.723 3.960 0.001 0.000 0.221 486 G C 1.648 176.673 174.900 0.208 0.000 1.119 486 G CA 1.153 46.238 45.100 -0.025 0.000 0.751 486 G HN 0.399 nan 8.290 nan 0.000 0.574 487 L N -0.738 120.606 121.223 0.202 0.000 2.515 487 L HA 0.312 4.652 4.340 0.001 0.000 0.223 487 L C 1.949 178.854 176.870 0.058 0.000 1.079 487 L CA 0.415 55.253 54.840 -0.004 0.000 0.857 487 L CB 0.183 42.034 42.059 -0.346 0.000 1.050 487 L HN 0.346 nan 8.230 nan 0.000 0.476 488 G N 1.379 110.226 108.800 0.079 0.000 2.160 488 G HA2 -0.252 3.708 3.960 0.001 0.000 0.244 488 G HA3 -0.252 3.708 3.960 0.001 0.000 0.244 488 G C -0.095 174.829 174.900 0.039 0.000 1.022 488 G CA 0.003 45.120 45.100 0.028 0.000 0.741 488 G HN 0.201 nan 8.290 nan 0.000 0.508 489 L N -1.054 120.212 121.223 0.070 0.000 2.334 489 L HA 0.529 4.869 4.340 0.001 0.000 0.273 489 L C 1.353 178.304 176.870 0.134 0.000 1.013 489 L CA -0.976 53.944 54.840 0.134 0.000 0.816 489 L CB 1.421 43.565 42.059 0.142 0.000 1.278 489 L HN 0.120 nan 8.230 nan 0.000 0.431 490 E N 1.291 121.578 120.200 0.146 0.000 2.427 490 E HA 0.206 4.557 4.350 0.001 0.000 0.196 490 E C -0.072 176.631 176.600 0.172 0.000 1.028 490 E CA 0.220 56.696 56.400 0.125 0.000 0.864 490 E CB 0.461 30.223 29.700 0.103 0.000 0.813 490 E HN 0.615 nan 8.360 nan 0.000 0.514 491 A N 0.536 123.502 122.820 0.243 0.000 2.585 491 A HA 0.472 4.792 4.320 0.001 0.000 0.299 491 A C -2.171 175.678 177.584 0.441 0.000 1.047 491 A CA -0.634 51.602 52.037 0.331 0.000 0.723 491 A CB 0.841 20.015 19.000 0.290 0.000 1.275 491 A HN 0.121 nan 8.150 nan 0.000 0.408 492 Y N 0.693 121.195 120.300 0.336 0.000 2.323 492 Y HA 0.621 5.172 4.550 0.001 0.000 0.322 492 Y C -0.467 175.517 175.900 0.141 0.000 1.133 492 Y CA 0.119 58.342 58.100 0.206 0.000 1.093 492 Y CB 1.652 40.190 38.460 0.130 0.000 1.203 492 Y HN 1.569 nan 8.280 nan 0.000 0.427 493 A N 3.495 126.057 122.820 -0.429 0.000 2.393 493 A HA 0.774 5.094 4.320 0.001 0.000 0.306 493 A C -0.660 176.698 177.584 -0.378 0.000 1.050 493 A CA -0.356 51.400 52.037 -0.469 0.000 0.724 493 A CB 1.026 19.574 19.000 -0.754 0.000 1.248 493 A HN 0.745 nan 8.150 nan 0.000 0.424 494 T N -0.442 113.976 114.554 -0.226 0.000 2.895 494 T HA 0.683 5.034 4.350 0.001 0.000 0.283 494 T C 0.125 174.878 174.700 0.089 0.000 1.014 494 T CA -0.367 61.663 62.100 -0.117 0.000 1.037 494 T CB 1.114 69.912 68.868 -0.116 0.000 1.006 494 T HN 1.420 nan 8.240 nan 0.000 0.468 495 W N 0.332 121.599 121.300 -0.055 0.000 1.231 495 W HA 0.244 4.904 4.660 0.001 0.000 0.192 495 W C 0.175 176.776 176.519 0.137 0.000 0.744 495 W CA -0.314 57.071 57.345 0.067 0.000 0.890 495 W CB -0.983 28.532 29.460 0.092 0.000 0.865 495 W HN 0.563 nan 8.180 nan 0.000 0.440 496 T N 1.399 115.656 114.554 -0.495 0.000 3.088 496 T HA 0.019 4.369 4.350 0.001 0.000 0.259 496 T C 0.665 175.212 174.700 -0.255 0.000 1.122 496 T CA 1.451 63.204 62.100 -0.578 0.000 1.095 496 T CB 0.016 68.567 68.868 -0.529 0.000 0.930 496 T HN 0.040 nan 8.240 nan 0.000 0.508 497 S N 1.093 116.702 115.700 -0.152 0.000 2.407 497 S HA 0.276 4.746 4.470 0.001 0.000 0.166 497 S C -2.138 172.403 174.600 -0.098 0.000 1.445 497 S CA -0.974 57.173 58.200 -0.088 0.000 1.260 497 S CB 0.839 64.022 63.200 -0.027 0.000 1.401 497 S HN 0.152 nan 8.310 nan 0.000 0.379 498 P HA 0.059 nan 4.420 nan 0.000 0.226 498 P C 1.062 178.277 177.300 -0.143 0.000 1.153 498 P CA 0.583 63.518 63.100 -0.275 0.000 0.777 498 P CB 0.028 31.356 31.700 -0.620 0.000 0.794 499 I N 0.029 120.551 120.570 -0.080 0.000 3.059 499 I HA -0.027 4.143 4.170 0.001 0.000 0.270 499 I C 2.527 178.642 176.117 -0.004 0.000 1.238 499 I CA 0.725 62.002 61.300 -0.038 0.000 1.478 499 I CB -0.255 37.727 38.000 -0.031 0.000 1.097 499 I HN -0.040 nan 8.210 nan 0.000 0.455 500 R N 0.731 121.246 120.500 0.026 0.000 2.453 500 R HA 0.278 4.619 4.340 0.001 0.000 0.233 500 R C -0.090 176.283 176.300 0.121 0.000 0.895 500 R CA -0.197 55.960 56.100 0.095 0.000 1.028 500 R CB 0.346 30.762 30.300 0.194 0.000 1.255 500 R HN 0.077 nan 8.270 nan 0.000 0.571 501 K N 0.673 121.098 120.400 0.042 0.000 2.507 501 K HA 0.189 4.509 4.320 0.001 0.000 0.252 501 K C -1.049 175.475 176.600 -0.126 0.000 0.943 501 K CA -0.789 55.460 56.287 -0.063 0.000 0.808 501 K CB 1.802 34.334 32.500 0.054 0.000 1.142 501 K HN -0.178 nan 8.250 nan 0.000 0.426 502 Y N 2.387 122.481 120.300 -0.343 0.000 2.274 502 Y HA -0.164 4.386 4.550 0.001 0.000 0.290 502 Y C 1.924 177.717 175.900 -0.179 0.000 1.145 502 Y CA 2.308 60.262 58.100 -0.244 0.000 1.203 502 Y CB -0.137 38.166 38.460 -0.262 0.000 0.984 502 Y HN 0.919 nan 8.280 nan 0.000 0.533 503 G N -0.312 108.375 108.800 -0.189 0.000 2.422 503 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 503 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 503 G C 0.576 175.389 174.900 -0.144 0.000 1.146 503 G CA 0.811 45.828 45.100 -0.138 0.000 0.769 503 G HN 0.307 nan 8.290 nan 0.000 0.547 507 N N 1.621 120.279 118.700 -0.069 0.000 2.069 507 N HA -0.161 4.580 4.740 0.001 0.000 0.191 507 N C 1.572 177.076 175.510 -0.011 0.000 1.031 507 N CA 1.862 54.884 53.050 -0.046 0.000 0.852 507 N CB -0.569 37.901 38.487 -0.027 0.000 1.018 507 N HN 0.491 nan 8.380 nan 0.000 0.423 508 H N 0.884 119.912 119.070 -0.071 0.000 2.255 508 H HA -0.123 4.433 4.556 0.001 0.000 0.290 508 H C 2.132 177.402 175.328 -0.096 0.000 1.087 508 H CA 1.586 57.602 56.048 -0.054 0.000 1.213 508 H CB 0.057 29.823 29.762 0.007 0.000 1.349 508 H HN 0.229 nan 8.280 nan 0.000 0.487 509 R N 0.353 120.880 120.500 0.044 0.000 2.117 509 R HA -0.153 4.188 4.340 0.001 0.000 0.243 509 R C 2.582 178.851 176.300 -0.052 0.000 1.143 509 R CA 1.170 57.263 56.100 -0.013 0.000 0.968 509 R CB -0.244 30.046 30.300 -0.016 0.000 0.863 509 R HN 0.321 nan 8.270 nan 0.000 0.444 510 L N 0.216 121.393 121.223 -0.076 0.000 2.131 510 L HA -0.107 4.233 4.340 0.001 0.000 0.206 510 L C 2.310 179.059 176.870 -0.202 0.000 1.087 510 L CA 0.795 55.564 54.840 -0.117 0.000 0.767 510 L CB -0.303 41.678 42.059 -0.130 0.000 0.917 510 L HN 0.150 nan 8.230 nan 0.000 0.441 511 L N -0.269 120.795 121.223 -0.265 0.000 2.131 511 L HA -0.202 4.138 4.340 0.001 0.000 0.210 511 L C 2.545 179.258 176.870 -0.260 0.000 1.092 511 L CA 1.249 55.853 54.840 -0.393 0.000 0.759 511 L CB -0.344 41.354 42.059 -0.601 0.000 0.903 511 L HN 0.207 nan 8.230 nan 0.000 0.435 512 K N -0.108 120.187 120.400 -0.175 0.000 2.057 512 K HA -0.115 4.205 4.320 0.001 0.000 0.206 512 K C 2.244 178.790 176.600 -0.090 0.000 1.050 512 K CA 1.299 57.519 56.287 -0.112 0.000 0.935 512 K CB -0.206 32.248 32.500 -0.076 0.000 0.715 512 K HN 0.272 nan 8.250 nan 0.000 0.439 513 A N 0.700 123.466 122.820 -0.089 0.000 1.902 513 A HA -0.119 4.201 4.320 0.001 0.000 0.217 513 A C 2.296 179.830 177.584 -0.083 0.000 1.181 513 A CA 1.311 53.307 52.037 -0.068 0.000 0.623 513 A CB -0.674 18.296 19.000 -0.050 0.000 0.818 513 A HN 0.082 nan 8.150 nan 0.000 0.443 514 V N 0.281 120.119 119.914 -0.128 0.000 2.392 514 V HA -0.273 3.847 4.120 0.001 0.000 0.249 514 V C 2.260 178.304 176.094 -0.084 0.000 1.059 514 V CA 2.028 64.250 62.300 -0.130 0.000 1.051 514 V CB -0.634 31.069 31.823 -0.201 0.000 0.658 514 V HN 0.597 nan 8.190 nan 0.000 0.455 515 I N -0.312 120.213 120.570 -0.075 0.000 3.010 515 I HA -0.226 3.945 4.170 0.001 0.000 0.271 515 I C 1.785 177.888 176.117 -0.022 0.000 1.293 515 I CA 1.451 62.734 61.300 -0.030 0.000 1.452 515 I CB -0.283 37.705 38.000 -0.019 0.000 1.082 515 I HN 0.533 nan 8.210 nan 0.000 0.484 516 K N -1.165 119.215 120.400 -0.034 0.000 2.997 516 K HA 0.505 4.825 4.320 0.001 0.000 0.259 516 K C 0.532 177.116 176.600 -0.025 0.000 2.334 516 K CA -0.082 56.190 56.287 -0.025 0.000 1.377 516 K CB 0.346 32.832 32.500 -0.022 0.000 2.602 516 K HN 0.011 nan 8.250 nan 0.000 0.425 523 P HA 0.322 nan 4.420 nan 0.000 0.271 523 P C -0.943 176.353 177.300 -0.007 0.000 1.218 523 P CA -0.218 62.895 63.100 0.022 0.000 0.780 523 P CB 0.887 32.631 31.700 0.074 0.000 0.901 524 Q N 0.798 120.601 119.800 0.005 0.000 2.394 524 Q HA 0.086 4.427 4.340 0.001 0.000 0.248 524 Q C 0.941 176.953 176.000 0.019 0.000 0.992 524 Q CA -0.022 55.782 55.803 0.000 0.000 0.888 524 Q CB 0.196 28.936 28.738 0.004 0.000 1.257 524 Q HN 0.339 nan 8.270 nan 0.000 0.462 525 D N 2.171 122.579 120.400 0.013 0.000 2.117 525 D HA -0.207 4.433 4.640 0.001 0.000 0.197 525 D C 1.835 178.153 176.300 0.030 0.000 0.987 525 D CA 1.514 55.529 54.000 0.024 0.000 0.829 525 D CB -0.371 40.438 40.800 0.015 0.000 0.961 525 D HN 0.793 nan 8.370 nan 0.000 0.460 526 E N 2.072 122.285 120.200 0.022 0.000 2.164 526 E HA -0.246 4.105 4.350 0.001 0.000 0.206 526 E C 2.128 178.747 176.600 0.031 0.000 1.032 526 E CA 1.576 57.989 56.400 0.022 0.000 0.832 526 E CB -1.036 28.672 29.700 0.014 0.000 0.742 526 E HN 0.309 nan 8.360 nan 0.000 0.460 527 I N 0.696 121.291 120.570 0.042 0.000 2.163 527 I HA -0.204 3.966 4.170 0.001 0.000 0.243 527 I C 2.849 179.009 176.117 0.072 0.000 1.085 527 I CA 2.150 63.487 61.300 0.061 0.000 1.347 527 I CB -1.516 36.540 38.000 0.093 0.000 1.044 527 I HN 0.396 nan 8.210 nan 0.000 0.408 528 T N 1.037 115.636 114.554 0.075 0.000 2.803 528 T HA -0.094 4.257 4.350 0.001 0.000 0.269 528 T C 1.951 176.699 174.700 0.080 0.000 1.052 528 T CA 1.235 63.388 62.100 0.087 0.000 1.136 528 T CB -0.120 68.799 68.868 0.085 0.000 0.864 528 T HN 0.145 nan 8.240 nan 0.000 0.467 529 V N 0.768 120.717 119.914 0.059 0.000 2.346 529 V HA 0.022 4.143 4.120 0.001 0.000 0.244 529 V C 1.651 177.776 176.094 0.051 0.000 1.037 529 V CA 1.106 63.434 62.300 0.048 0.000 1.029 529 V CB -0.593 31.250 31.823 0.032 0.000 0.663 529 V HN 0.463 nan 8.190 nan 0.000 0.454 533 E N 1.112 121.355 120.200 0.071 0.000 2.051 533 E HA -0.125 4.225 4.350 0.001 0.000 0.192 533 E C 1.911 178.538 176.600 0.045 0.000 0.991 533 E CA 1.778 58.202 56.400 0.040 0.000 0.799 533 E CB -0.135 29.586 29.700 0.035 0.000 0.748 533 E HN 0.361 nan 8.360 nan 0.000 0.449 534 R N 0.164 120.728 120.500 0.107 0.000 2.148 534 R HA 0.032 4.372 4.340 0.001 0.000 0.223 534 R C 2.401 178.751 176.300 0.084 0.000 1.088 534 R CA 1.029 57.206 56.100 0.128 0.000 0.985 534 R CB -0.602 29.827 30.300 0.215 0.000 0.880 534 R HN 0.267 nan 8.270 nan 0.000 0.451 535 R N 0.670 121.198 120.500 0.046 0.000 2.092 535 R HA -0.028 4.312 4.340 0.001 0.000 0.231 535 R C 2.178 178.374 176.300 -0.173 0.000 1.119 535 R CA 1.047 56.992 56.100 -0.259 0.000 0.970 535 R CB -0.065 30.046 30.300 -0.316 0.000 0.864 535 R HN 0.032 nan 8.270 nan 0.000 0.440 536 R N 0.556 120.995 120.500 -0.101 0.000 2.073 536 R HA -0.086 4.255 4.340 0.001 0.000 0.234 536 R C 2.394 178.606 176.300 -0.146 0.000 1.134 536 R CA 1.308 57.340 56.100 -0.113 0.000 0.952 536 R CB -0.314 29.932 30.300 -0.090 0.000 0.850 536 R HN 0.285 nan 8.270 nan 0.000 0.433 537 L N 0.811 121.953 121.223 -0.136 0.000 2.017 537 L HA -0.223 4.117 4.340 0.001 0.000 0.208 537 L C 2.036 178.763 176.870 -0.238 0.000 1.073 537 L CA 1.293 56.002 54.840 -0.220 0.000 0.745 537 L CB -0.593 41.406 42.059 -0.101 0.000 0.894 537 L HN 0.218 nan 8.230 nan 0.000 0.432 538 N N -0.146 118.478 118.700 -0.126 0.000 2.104 538 N HA -0.149 4.591 4.740 0.001 0.000 0.190 538 N C 1.187 176.641 175.510 -0.094 0.000 1.024 538 N CA 0.791 53.788 53.050 -0.088 0.000 0.853 538 N CB -0.269 38.175 38.487 -0.071 0.000 1.008 538 N HN 0.239 nan 8.380 nan 0.000 0.424 542 E N 0.558 120.752 120.200 -0.011 0.000 2.077 542 E HA -0.206 4.144 4.350 0.001 0.000 0.193 542 E C 2.139 178.732 176.600 -0.011 0.000 0.989 542 E CA 1.409 57.806 56.400 -0.004 0.000 0.800 542 E CB -0.112 29.605 29.700 0.028 0.000 0.746 542 E HN 0.506 nan 8.360 nan 0.000 0.452 543 R N 0.280 120.792 120.500 0.020 0.000 2.075 543 R HA -0.140 4.200 4.340 0.001 0.000 0.232 543 R C 1.574 177.896 176.300 0.036 0.000 1.126 543 R CA 1.744 57.876 56.100 0.053 0.000 0.963 543 R CB -0.046 30.288 30.300 0.057 0.000 0.858 543 R HN 0.175 nan 8.270 nan 0.000 0.435 544 D N -0.051 120.373 120.400 0.040 0.000 2.144 544 D HA -0.118 4.522 4.640 0.001 0.000 0.199 544 D C 1.932 178.257 176.300 0.041 0.000 0.984 544 D CA 1.049 55.082 54.000 0.054 0.000 0.834 544 D CB -0.064 40.817 40.800 0.134 0.000 0.955 544 D HN 0.084 nan 8.370 nan 0.000 0.465 545 V N 0.944 120.800 119.914 -0.097 0.000 2.358 545 V HA -0.130 3.990 4.120 0.001 0.000 0.246 545 V C 2.590 178.441 176.094 -0.405 0.000 1.047 545 V CA 1.875 63.968 62.300 -0.345 0.000 1.035 545 V CB -1.103 30.367 31.823 -0.589 0.000 0.658 545 V HN 0.215 nan 8.190 nan 0.000 0.452 546 G N 0.125 108.709 108.800 -0.360 0.000 2.529 546 G HA2 -0.333 3.628 3.960 0.001 0.000 0.219 546 G HA3 -0.333 3.628 3.960 0.001 0.000 0.219 546 G C 1.229 176.074 174.900 -0.093 0.000 1.177 546 G CA 1.364 46.247 45.100 -0.362 0.000 0.773 546 G HN 0.497 nan 8.290 nan 0.000 0.573 547 D N 0.037 120.483 120.400 0.077 0.000 2.104 547 D HA -0.110 4.530 4.640 0.001 0.000 0.194 547 D C 2.106 178.442 176.300 0.061 0.000 0.994 547 D CA 0.791 54.864 54.000 0.121 0.000 0.830 547 D CB -0.427 40.353 40.800 -0.034 0.000 0.959 547 D HN 0.594 nan 8.370 nan 0.000 0.452 548 W N 1.124 122.333 121.300 -0.152 0.000 2.315 548 W HA -0.129 4.531 4.660 0.000 0.000 0.323 548 W C 2.496 178.905 176.519 -0.183 0.000 1.233 548 W CA 0.629 57.851 57.345 -0.205 0.000 1.267 548 W CB -0.586 28.648 29.460 -0.377 0.000 1.160 548 W HN -0.031 nan 8.180 nan 0.000 0.474 549 L N -1.426 119.780 121.223 -0.029 0.000 2.079 549 L HA -0.267 4.073 4.340 0.001 0.000 0.210 549 L C 2.108 179.071 176.870 0.155 0.000 1.081 549 L CA 1.342 56.144 54.840 -0.063 0.000 0.752 549 L CB -1.166 40.666 42.059 -0.378 0.000 0.896 549 L HN 0.140 nan 8.230 nan 0.000 0.433 550 Y N -0.046 120.387 120.300 0.222 0.000 2.145 550 Y HA -0.284 4.267 4.550 0.000 0.000 0.286 550 Y C 2.732 178.730 175.900 0.163 0.000 1.145 550 Y CA 0.761 58.991 58.100 0.216 0.000 1.148 550 Y CB -0.241 38.290 38.460 0.119 0.000 0.981 550 Y HN 0.171 nan 8.280 nan 0.000 0.507 551 A N 0.433 123.404 122.820 0.251 0.000 1.898 551 A HA -0.190 4.130 4.320 0.001 0.000 0.216 551 A C 2.125 179.801 177.584 0.152 0.000 1.181 551 A CA 1.566 53.686 52.037 0.139 0.000 0.620 551 A CB -0.534 18.500 19.000 0.058 0.000 0.819 551 A HN 0.395 nan 8.150 nan 0.000 0.442 552 R N -1.979 118.634 120.500 0.189 0.000 2.096 552 R HA -0.093 4.247 4.340 0.001 0.000 0.235 552 R C 1.957 178.397 176.300 0.234 0.000 1.127 552 R CA 1.521 57.732 56.100 0.185 0.000 0.968 552 R CB -0.469 29.932 30.300 0.167 0.000 0.861 552 R HN 0.558 nan 8.270 nan 0.000 0.440 553 F N 0.965 120.989 119.950 0.122 0.000 2.234 553 F HA -0.039 4.488 4.527 0.001 0.000 0.299 553 F C 1.543 177.410 175.800 0.111 0.000 1.087 553 F CA 1.264 59.341 58.000 0.128 0.000 1.340 553 F CB 0.107 39.204 39.000 0.163 0.000 1.031 553 F HN -0.107 nan 8.300 nan 0.000 0.500 554 L N -0.564 120.679 121.223 0.033 0.000 2.590 554 L HA 0.057 4.397 4.340 0.001 0.000 0.227 554 L C 2.100 178.935 176.870 -0.059 0.000 1.099 554 L CA 0.076 54.848 54.840 -0.113 0.000 0.872 554 L CB -0.367 41.637 42.059 -0.091 0.000 1.088 554 L HN -0.072 nan 8.230 nan 0.000 0.479 555 K N 1.652 122.050 120.400 -0.004 0.000 2.044 555 K HA -0.256 4.064 4.320 0.001 0.000 0.210 555 K C 1.673 178.272 176.600 -0.001 0.000 1.049 555 K CA 2.295 58.589 56.287 0.011 0.000 0.927 555 K CB -0.401 32.124 32.500 0.042 0.000 0.713 555 K HN 0.408 nan 8.250 nan 0.000 0.443 556 D N -0.534 119.858 120.400 -0.013 0.000 2.371 556 D HA -0.132 4.508 4.640 0.001 0.000 0.221 556 D C 0.734 177.024 176.300 -0.017 0.000 0.986 556 D CA 0.813 54.805 54.000 -0.013 0.000 0.899 556 D CB 0.062 40.853 40.800 -0.014 0.000 0.902 556 D HN 0.142 nan 8.370 nan 0.000 0.530 557 K N 0.226 120.614 120.400 -0.019 0.000 2.367 557 K HA 0.269 4.589 4.320 0.001 0.000 0.194 557 K C 0.603 177.219 176.600 0.026 0.000 1.027 557 K CA 0.045 56.343 56.287 0.018 0.000 1.075 557 K CB 0.539 33.091 32.500 0.086 0.000 0.845 557 K HN 0.186 nan 8.250 nan 0.000 0.529 558 A N 0.754 123.578 122.820 0.007 0.000 2.451 558 A HA 0.457 4.778 4.320 0.001 0.000 0.266 558 A C 1.171 178.755 177.584 0.000 0.000 1.119 558 A CA 0.822 52.861 52.037 0.003 0.000 0.786 558 A CB -0.292 18.708 19.000 0.001 0.000 1.061 558 A HN 0.477 nan 8.150 nan 0.000 0.503 559 G N 1.936 110.731 108.800 -0.007 0.000 2.195 559 G HA2 -0.181 3.780 3.960 0.001 0.000 0.246 559 G HA3 -0.181 3.780 3.960 0.001 0.000 0.246 559 G C 0.600 175.491 174.900 -0.016 0.000 0.984 559 G CA 0.971 46.062 45.100 -0.015 0.000 0.633 559 G HN 1.988 nan 8.290 nan 0.000 0.525 560 T N -1.364 113.185 114.554 -0.007 0.000 2.897 560 T HA 0.525 4.876 4.350 0.001 0.000 0.278 560 T C 0.956 175.646 174.700 -0.017 0.000 0.981 560 T CA 0.531 62.624 62.100 -0.012 0.000 0.973 560 T CB 1.645 70.507 68.868 -0.010 0.000 1.092 560 T HN 0.294 nan 8.240 nan 0.000 0.543 561 D N -0.540 119.843 120.400 -0.029 0.000 2.324 561 D HA 0.036 4.676 4.640 0.001 0.000 0.235 561 D C 0.115 176.380 176.300 -0.059 0.000 1.095 561 D CA -0.224 53.752 54.000 -0.039 0.000 0.871 561 D CB -0.957 39.819 40.800 -0.040 0.000 0.906 561 D HN 0.465 nan 8.370 nan 0.000 0.522 562 T N 1.316 115.833 114.554 -0.062 0.000 2.799 562 T HA 0.184 4.534 4.350 0.001 0.000 0.296 562 T C 0.510 175.088 174.700 -0.204 0.000 0.947 562 T CA -0.273 61.733 62.100 -0.156 0.000 1.141 562 T CB 0.792 69.571 68.868 -0.149 0.000 0.891 562 T HN 0.078 nan 8.240 nan 0.000 0.533 563 R N 2.060 122.373 120.500 -0.312 0.000 2.486 563 R HA 0.642 4.982 4.340 0.001 0.000 0.286 563 R C -0.964 175.024 176.300 -0.520 0.000 0.999 563 R CA -0.521 55.436 56.100 -0.238 0.000 0.993 563 R CB 1.019 31.240 30.300 -0.131 0.000 1.084 563 R HN 0.478 nan 8.270 nan 0.000 0.487 564 F N 0.106 120.040 119.950 -0.025 0.000 2.591 564 F HA 0.452 4.979 4.527 0.000 0.000 0.309 564 F C 0.026 175.815 175.800 -0.018 0.000 1.098 564 F CA -1.000 56.988 58.000 -0.019 0.000 0.937 564 F CB 1.872 40.854 39.000 -0.030 0.000 1.250 564 F HN 0.524 nan 8.300 nan 0.000 0.447 565 A N 1.861 124.781 122.820 0.168 0.000 2.388 565 A HA 0.828 5.148 4.320 0.001 0.000 0.257 565 A C -0.564 177.082 177.584 0.102 0.000 1.095 565 A CA 0.030 52.128 52.037 0.103 0.000 0.791 565 A CB 0.270 19.315 19.000 0.074 0.000 1.029 565 A HN 1.160 nan 8.150 nan 0.000 0.489 566 A N 2.083 124.935 122.820 0.054 0.000 2.437 566 A HA 0.593 4.913 4.320 0.001 0.000 0.293 566 A C -0.488 177.100 177.584 0.006 0.000 1.038 566 A CA -0.379 51.667 52.037 0.015 0.000 0.708 566 A CB 0.781 19.772 19.000 -0.015 0.000 1.251 566 A HN 1.011 nan 8.150 nan 0.000 0.409 567 E N 3.177 123.383 120.200 0.010 0.000 2.277 567 E HA 0.561 4.911 4.350 0.001 0.000 0.274 567 E C -1.039 175.560 176.600 -0.002 0.000 1.022 567 E CA -0.573 55.836 56.400 0.016 0.000 0.853 567 E CB 0.925 30.648 29.700 0.038 0.000 1.086 567 E HN 0.552 nan 8.360 nan 0.000 0.397 568 I N 4.622 125.194 120.570 0.003 0.000 2.379 568 I HA -0.014 4.157 4.170 0.001 0.000 0.290 568 I C 0.772 176.908 176.117 0.031 0.000 1.063 568 I CA -0.299 60.998 61.300 -0.004 0.000 1.351 568 I CB 1.204 39.200 38.000 -0.007 0.000 1.410 568 I HN 0.555 nan 8.210 nan 0.000 0.505 569 V N 4.689 124.619 119.914 0.025 0.000 2.575 569 V HA 0.018 4.138 4.120 0.001 0.000 0.242 569 V C 0.072 176.196 176.094 0.050 0.000 1.045 569 V CA 1.109 63.433 62.300 0.040 0.000 1.065 569 V CB -0.410 31.433 31.823 0.032 0.000 0.717 569 V HN 0.998 nan 8.190 nan 0.000 0.467 570 D N -1.891 118.540 120.400 0.052 0.000 2.648 570 D HA 0.459 5.099 4.640 0.001 0.000 0.244 570 D C -1.237 175.105 176.300 0.069 0.000 1.244 570 D CA -0.497 53.540 54.000 0.061 0.000 0.772 570 D CB 1.318 42.154 40.800 0.059 0.000 1.379 570 D HN 0.076 nan 8.370 nan 0.000 0.428 571 I N 1.143 121.757 120.570 0.075 0.000 2.465 571 I HA 0.589 4.759 4.170 0.001 0.000 0.291 571 I C -0.332 175.834 176.117 0.082 0.000 1.014 571 I CA -0.548 60.799 61.300 0.079 0.000 1.093 571 I CB 1.882 39.933 38.000 0.085 0.000 1.267 571 I HN 0.651 nan 8.210 nan 0.000 0.431 572 S N 4.697 120.455 115.700 0.098 0.000 2.667 572 S HA 0.533 5.003 4.470 0.001 0.000 0.292 572 S C 0.574 175.223 174.600 0.082 0.000 1.126 572 S CA -0.904 57.349 58.200 0.089 0.000 0.881 572 S CB 2.242 65.506 63.200 0.106 0.000 1.132 572 S HN 0.648 nan 8.310 nan 0.000 0.492 573 R N 0.205 120.740 120.500 0.058 0.000 2.127 573 R HA -0.003 4.337 4.340 0.001 0.000 0.238 573 R C 1.935 178.271 176.300 0.061 0.000 1.134 573 R CA 1.656 57.782 56.100 0.044 0.000 0.975 573 R CB -0.912 29.397 30.300 0.015 0.000 0.865 573 R HN 0.874 nan 8.270 nan 0.000 0.447 574 G N -1.170 107.688 108.800 0.097 0.000 2.920 574 G HA2 0.331 4.292 3.960 0.001 0.000 0.208 574 G HA3 0.331 4.292 3.960 0.001 0.000 0.208 574 G C 0.169 175.213 174.900 0.241 0.000 1.159 574 G CA 0.457 45.648 45.100 0.152 0.000 0.784 574 G HN 0.599 nan 8.290 nan 0.000 0.535 578 V N -0.854 119.042 119.914 -0.029 0.000 2.876 578 V HA 0.712 4.832 4.120 0.001 0.000 0.312 578 V C -0.648 175.401 176.094 -0.075 0.000 1.085 578 V CA -0.999 61.265 62.300 -0.059 0.000 0.945 578 V CB 2.116 33.883 31.823 -0.093 0.000 1.017 578 V HN 0.771 nan 8.190 nan 0.000 0.428 579 R N 4.021 124.480 120.500 -0.067 0.000 2.310 579 R HA 0.586 4.926 4.340 0.001 0.000 0.324 579 R C -0.742 175.494 176.300 -0.106 0.000 0.955 579 R CA -0.830 55.206 56.100 -0.106 0.000 0.830 579 R CB 1.272 31.540 30.300 -0.054 0.000 1.154 579 R HN 0.939 nan 8.270 nan 0.000 0.458 580 L N 5.479 126.589 121.223 -0.188 0.000 2.615 580 L HA -0.039 4.302 4.340 0.001 0.000 0.271 580 L C 1.548 178.368 176.870 -0.083 0.000 1.183 580 L CA -0.213 54.538 54.840 -0.148 0.000 0.933 580 L CB 0.730 42.606 42.059 -0.305 0.000 1.199 580 L HN 0.623 nan 8.230 nan 0.000 0.487 581 V N 2.468 122.410 119.914 0.047 0.000 2.427 581 V HA -0.198 3.923 4.120 0.001 0.000 0.248 581 V C 1.604 177.827 176.094 0.215 0.000 1.051 581 V CA 1.716 64.094 62.300 0.130 0.000 1.048 581 V CB -0.267 31.625 31.823 0.115 0.000 0.666 581 V HN 0.789 nan 8.190 nan 0.000 0.456 582 D N 0.234 120.742 120.400 0.181 0.000 2.347 582 D HA -0.046 4.594 4.640 0.001 0.000 0.215 582 D C 1.361 177.780 176.300 0.198 0.000 0.976 582 D CA 1.084 55.216 54.000 0.221 0.000 0.884 582 D CB -0.045 40.885 40.800 0.217 0.000 0.915 582 D HN 0.792 nan 8.370 nan 0.000 0.526 583 N N -2.842 115.822 118.700 -0.060 0.000 2.008 583 N HA 0.114 4.854 4.740 0.001 0.000 0.228 583 N C 1.333 176.256 175.510 -0.978 0.000 1.375 583 N CA 0.543 53.419 53.050 -0.290 0.000 0.856 583 N CB 0.376 38.870 38.487 0.011 0.000 1.096 583 N HN -0.051 nan 8.380 nan 0.000 0.489 584 G N -0.136 107.912 108.800 -1.254 0.000 2.179 584 G HA2 -0.187 3.773 3.960 0.001 0.000 0.260 584 G HA3 -0.187 3.773 3.960 0.001 0.000 0.260 584 G C 0.391 174.765 174.900 -0.878 0.000 0.977 584 G CA 0.208 44.606 45.100 -1.170 0.000 0.641 584 G HN 0.888 nan 8.290 nan 0.000 0.533 585 A N 0.662 122.773 122.820 -1.182 0.000 2.498 585 A HA 0.529 4.849 4.320 0.001 0.000 0.239 585 A C 0.724 177.935 177.584 -0.622 0.000 1.068 585 A CA 0.280 51.504 52.037 -1.355 0.000 0.766 585 A CB 0.212 18.583 19.000 -1.048 0.000 1.003 585 A HN 0.644 nan 8.150 nan 0.000 0.497 586 I N 1.394 121.696 120.570 -0.448 0.000 2.365 586 I HA 0.521 4.692 4.170 0.001 0.000 0.291 586 I C 0.646 176.671 176.117 -0.154 0.000 1.004 586 I CA 0.268 61.439 61.300 -0.215 0.000 1.311 586 I CB 0.658 38.589 38.000 -0.115 0.000 1.401 586 I HN 0.741 nan 8.210 nan 0.000 0.491 587 A N 6.351 129.111 122.820 -0.100 0.000 2.515 587 A HA 0.742 5.062 4.320 0.001 0.000 0.296 587 A C -1.474 176.143 177.584 0.055 0.000 1.094 587 A CA -0.499 51.512 52.037 -0.044 0.000 0.718 587 A CB 1.825 20.762 19.000 -0.104 0.000 1.307 587 A HN 0.464 nan 8.150 nan 0.000 0.408 588 F N 1.179 121.090 119.950 -0.064 0.000 2.443 588 F HA 0.722 5.249 4.527 0.000 0.000 0.335 588 F C -0.578 175.217 175.800 -0.009 0.000 1.104 588 F CA -1.193 56.781 58.000 -0.042 0.000 1.013 588 F CB 1.232 40.206 39.000 -0.043 0.000 1.136 588 F HN 0.378 nan 8.300 nan 0.000 0.470 589 I N 7.967 128.049 120.570 -0.813 0.000 2.371 589 I HA 0.301 4.471 4.170 0.001 0.000 0.282 589 I C -2.331 173.242 176.117 -0.907 0.000 1.031 589 I CA -2.090 58.853 61.300 -0.595 0.000 1.180 589 I CB 1.086 38.892 38.000 -0.323 0.000 1.336 589 I HN 0.404 nan 8.210 nan 0.000 0.467 590 P HA 0.042 nan 4.420 nan 0.000 0.269 590 P C 0.693 177.835 177.300 -0.264 0.000 1.209 590 P CA -0.038 62.830 63.100 -0.387 0.000 0.776 590 P CB 1.005 32.531 31.700 -0.290 0.000 0.876 591 A N 5.431 128.165 122.820 -0.143 0.000 1.917 591 A HA -0.142 4.178 4.320 0.001 0.000 0.219 591 A C -0.495 177.061 177.584 -0.047 0.000 1.182 591 A CA 1.892 53.893 52.037 -0.059 0.000 0.633 591 A CB -2.493 16.504 19.000 -0.005 0.000 0.819 591 A HN 0.488 nan 8.150 nan 0.000 0.448 592 P HA -0.085 nan 4.420 nan 0.000 0.228 592 P C 0.794 178.094 177.300 -0.000 0.000 1.151 592 P CA 0.823 63.859 63.100 -0.106 0.000 0.770 592 P CB -0.213 31.364 31.700 -0.206 0.000 0.786 593 F N -1.606 118.337 119.950 -0.011 0.000 2.789 593 F HA 0.097 4.624 4.527 0.000 0.000 0.300 593 F C 1.816 177.624 175.800 0.013 0.000 1.132 593 F CA -0.082 57.909 58.000 -0.015 0.000 1.404 593 F CB -0.199 38.771 39.000 -0.050 0.000 1.114 593 F HN -0.173 nan 8.300 nan 0.000 0.584 594 L N -1.208 120.134 121.223 0.198 0.000 2.375 594 L HA 0.052 4.392 4.340 0.001 0.000 0.215 594 L C -0.211 176.825 176.870 0.277 0.000 1.108 594 L CA 0.643 55.611 54.840 0.213 0.000 0.830 594 L CB -0.152 42.019 42.059 0.188 0.000 0.959 594 L HN 0.138 nan 8.230 nan 0.000 0.457 595 H N -2.238 116.890 119.070 0.097 0.000 3.139 595 H HA 0.351 4.908 4.556 0.001 0.000 0.325 595 H C 0.021 175.384 175.328 0.057 0.000 1.146 595 H CA -0.328 55.761 56.048 0.068 0.000 1.351 595 H CB 1.136 30.929 29.762 0.052 0.000 2.005 595 H HN -0.129 nan 8.280 nan 0.000 0.517 596 A N 3.306 125.895 122.820 -0.384 0.000 2.119 596 A HA 0.221 4.541 4.320 0.001 0.000 0.217 596 A C -0.017 177.422 177.584 -0.242 0.000 1.153 596 A CA 1.208 53.095 52.037 -0.251 0.000 0.692 596 A CB 0.134 19.011 19.000 -0.205 0.000 0.799 596 A HN 0.225 nan 8.150 nan 0.000 0.458 597 V N 0.031 119.724 119.914 -0.369 0.000 2.349 597 V HA 0.253 4.373 4.120 0.001 0.000 0.284 597 V C 1.156 177.300 176.094 0.084 0.000 1.014 597 V CA -0.584 61.658 62.300 -0.098 0.000 0.826 597 V CB 1.007 32.800 31.823 -0.050 0.000 1.009 597 V HN 0.591 nan 8.190 nan 0.000 0.431 598 R N 2.402 122.934 120.500 0.054 0.000 2.091 598 R HA -0.174 4.167 4.340 0.001 0.000 0.238 598 R C 1.305 177.655 176.300 0.082 0.000 1.136 598 R CA 2.156 58.299 56.100 0.072 0.000 0.959 598 R CB 0.158 30.480 30.300 0.038 0.000 0.856 598 R HN 0.740 nan 8.270 nan 0.000 0.437 599 D N -0.067 120.374 120.400 0.069 0.000 2.310 599 D HA -0.098 4.542 4.640 0.001 0.000 0.212 599 D C 1.054 177.391 176.300 0.062 0.000 0.965 599 D CA 0.998 55.031 54.000 0.054 0.000 0.879 599 D CB 0.126 40.950 40.800 0.040 0.000 0.921 599 D HN 0.447 nan 8.370 nan 0.000 0.510 600 E N -0.630 119.635 120.200 0.108 0.000 2.447 600 E HA 0.073 4.424 4.350 0.001 0.000 0.195 600 E C 0.239 176.841 176.600 0.003 0.000 1.028 600 E CA -0.165 56.282 56.400 0.078 0.000 0.876 600 E CB 0.656 30.462 29.700 0.176 0.000 0.885 600 E HN 0.108 nan 8.360 nan 0.000 0.500 601 L N 1.309 122.570 121.223 0.064 0.000 2.287 601 L HA 0.307 4.647 4.340 0.001 0.000 0.287 601 L C -1.060 175.827 176.870 0.029 0.000 1.022 601 L CA -0.667 54.186 54.840 0.021 0.000 0.814 601 L CB 1.566 43.685 42.059 0.100 0.000 1.217 601 L HN -0.313 nan 8.230 nan 0.000 0.420 602 V N 4.729 124.650 119.914 0.012 0.000 2.378 602 V HA 0.330 4.450 4.120 0.001 0.000 0.288 602 V C -0.579 175.537 176.094 0.037 0.000 1.016 602 V CA -0.533 61.781 62.300 0.023 0.000 0.840 602 V CB 1.286 33.117 31.823 0.014 0.000 0.994 602 V HN 0.885 nan 8.190 nan 0.000 0.431 603 C N 3.740 123.067 119.300 0.045 0.000 2.239 603 C HA 0.548 5.009 4.460 0.001 0.000 0.325 603 C C 0.899 175.922 174.990 0.056 0.000 1.231 603 C CA -0.532 58.520 59.018 0.058 0.000 1.652 603 C CB 0.216 27.992 27.740 0.059 0.000 2.284 603 C HN 0.833 nan 8.230 nan 0.000 0.499 604 S N 2.547 118.286 115.700 0.065 0.000 2.420 604 S HA 0.116 4.586 4.470 0.001 0.000 0.313 604 S C 1.043 175.687 174.600 0.074 0.000 1.079 604 S CA -0.223 58.015 58.200 0.064 0.000 1.104 604 S CB 0.514 63.756 63.200 0.071 0.000 0.969 604 S HN 0.818 nan 8.310 nan 0.000 0.471 605 Q N 3.081 122.916 119.800 0.058 0.000 2.119 605 Q HA -0.112 4.228 4.340 0.001 0.000 0.201 605 Q C 1.411 177.440 176.000 0.048 0.000 0.972 605 Q CA 1.696 57.530 55.803 0.052 0.000 0.847 605 Q CB -0.053 28.707 28.738 0.037 0.000 0.903 605 Q HN 0.874 nan 8.270 nan 0.000 0.433 606 E N -0.090 120.139 120.200 0.047 0.000 2.427 606 E HA -0.048 4.303 4.350 0.001 0.000 0.196 606 E C 0.871 177.518 176.600 0.077 0.000 1.028 606 E CA 0.757 57.185 56.400 0.046 0.000 0.864 606 E CB 0.158 29.882 29.700 0.039 0.000 0.813 606 E HN 0.273 nan 8.360 nan 0.000 0.514 607 N N -0.667 118.097 118.700 0.105 0.000 2.273 607 N HA 0.142 4.882 4.740 0.001 0.000 0.192 607 N C 0.553 176.206 175.510 0.238 0.000 1.132 607 N CA 0.826 53.979 53.050 0.171 0.000 0.887 607 N CB 0.956 39.540 38.487 0.161 0.000 1.048 607 N HN 0.193 nan 8.380 nan 0.000 0.490 608 G N 1.331 110.240 108.800 0.182 0.000 2.221 608 G HA2 -0.263 3.697 3.960 0.001 0.000 0.265 608 G HA3 -0.263 3.697 3.960 0.001 0.000 0.265 608 G C 0.073 175.150 174.900 0.296 0.000 1.041 608 G CA 1.097 46.331 45.100 0.224 0.000 0.807 608 G HN 0.560 nan 8.290 nan 0.000 0.502 609 T N -3.567 111.108 114.554 0.202 0.000 2.906 609 T HA 0.713 5.064 4.350 0.001 0.000 0.295 609 T C -0.534 174.234 174.700 0.114 0.000 1.061 609 T CA -0.545 61.641 62.100 0.144 0.000 1.000 609 T CB 2.917 71.843 68.868 0.097 0.000 1.103 609 T HN 0.825 nan 8.240 nan 0.000 0.486 610 V N 2.972 122.957 119.914 0.118 0.000 2.370 610 V HA 0.421 4.541 4.120 0.001 0.000 0.283 610 V C -0.126 175.977 176.094 0.014 0.000 1.023 610 V CA -0.684 61.680 62.300 0.107 0.000 0.857 610 V CB 1.216 33.185 31.823 0.244 0.000 0.985 610 V HN 0.906 nan 8.190 nan 0.000 0.443 611 Q N 4.970 124.763 119.800 -0.011 0.000 2.274 611 Q HA 0.669 5.009 4.340 0.001 0.000 0.260 611 Q C -1.089 174.847 176.000 -0.107 0.000 0.974 611 Q CA -0.602 55.162 55.803 -0.065 0.000 0.876 611 Q CB 2.973 31.684 28.738 -0.045 0.000 1.297 611 Q HN 0.603 nan 8.270 nan 0.000 0.446 612 I N 2.261 122.726 120.570 -0.176 0.000 2.406 612 I HA 0.165 4.336 4.170 0.001 0.000 0.290 612 I C -0.206 175.797 176.117 -0.190 0.000 0.999 612 I CA -0.798 60.330 61.300 -0.286 0.000 1.124 612 I CB 1.335 39.069 38.000 -0.442 0.000 1.289 612 I HN 0.625 nan 8.210 nan 0.000 0.441 613 K N 4.759 125.071 120.400 -0.146 0.000 3.356 613 K HA -0.255 4.065 4.320 0.001 0.000 0.270 613 K C 0.978 177.541 176.600 -0.061 0.000 0.901 613 K CA 0.595 56.839 56.287 -0.072 0.000 0.688 613 K CB -1.639 30.829 32.500 -0.053 0.000 1.460 613 K HN 1.202 nan 8.250 nan 0.000 0.458 614 G N -0.342 108.424 108.800 -0.056 0.000 2.220 614 G HA2 -0.365 3.596 3.960 0.001 0.000 0.269 614 G HA3 -0.365 3.596 3.960 0.001 0.000 0.269 614 G C -0.155 174.713 174.900 -0.053 0.000 0.977 614 G CA 0.885 45.959 45.100 -0.044 0.000 0.634 614 G HN 0.556 nan 8.290 nan 0.000 0.539 615 E N 0.941 121.097 120.200 -0.073 0.000 2.175 615 E HA 0.507 4.857 4.350 0.001 0.000 0.278 615 E C -0.094 176.441 176.600 -0.108 0.000 0.969 615 E CA -0.382 55.968 56.400 -0.083 0.000 0.796 615 E CB 1.096 30.745 29.700 -0.086 0.000 1.104 615 E HN 0.114 nan 8.360 nan 0.000 0.395 616 T N 2.124 116.616 114.554 -0.102 0.000 2.853 616 T HA 0.050 4.401 4.350 0.001 0.000 0.298 616 T C 0.832 175.425 174.700 -0.177 0.000 0.978 616 T CA -0.170 61.859 62.100 -0.119 0.000 1.152 616 T CB 0.703 69.504 68.868 -0.111 0.000 0.914 616 T HN 0.236 nan 8.240 nan 0.000 0.539 617 V N 2.519 122.285 119.914 -0.247 0.000 3.219 617 V HA 0.247 4.368 4.120 0.001 0.000 0.240 617 V C -0.340 175.401 176.094 -0.588 0.000 1.222 617 V CA 0.384 62.403 62.300 -0.468 0.000 1.181 617 V CB 0.002 31.436 31.823 -0.649 0.000 0.941 617 V HN 0.811 nan 8.190 nan 0.000 0.471 618 Y N 0.014 120.286 120.300 -0.047 0.000 2.499 618 Y HA 0.687 5.238 4.550 0.001 0.000 0.347 618 Y C -0.084 175.791 175.900 -0.043 0.000 0.987 618 Y CA -0.937 57.141 58.100 -0.037 0.000 1.044 618 Y CB 1.867 40.317 38.460 -0.016 0.000 1.245 618 Y HN -0.090 nan 8.280 nan 0.000 0.461 619 K N 1.231 121.709 120.400 0.130 0.000 2.375 619 K HA 0.573 4.893 4.320 0.001 0.000 0.249 619 K C -1.204 175.506 176.600 0.184 0.000 0.942 619 K CA -1.104 55.225 56.287 0.070 0.000 0.806 619 K CB 2.621 34.980 32.500 -0.235 0.000 1.227 619 K HN 0.329 nan 8.250 nan 0.000 0.430 620 V N 2.412 122.505 119.914 0.299 0.000 2.694 620 V HA -0.103 4.017 4.120 0.001 0.000 0.306 620 V C 0.807 177.041 176.094 0.234 0.000 1.054 620 V CA 1.234 63.671 62.300 0.227 0.000 1.161 620 V CB 0.517 32.451 31.823 0.185 0.000 0.916 620 V HN 1.090 nan 8.190 nan 0.000 0.490 621 T N 1.538 116.173 114.554 0.135 0.000 6.445 621 T HA -0.167 4.184 4.350 0.001 0.000 0.280 621 T C 0.269 175.023 174.700 0.090 0.000 2.174 621 T CA 1.017 63.183 62.100 0.109 0.000 3.648 621 T CB -1.005 67.941 68.868 0.130 0.000 1.091 621 T HN 0.857 nan 8.240 nan 0.000 1.002 622 D N 1.079 121.535 120.400 0.093 0.000 2.423 622 D HA 0.402 5.042 4.640 0.001 0.000 0.238 622 D C 0.253 176.589 176.300 0.060 0.000 1.142 622 D CA 0.103 54.148 54.000 0.075 0.000 0.884 622 D CB 0.782 41.644 40.800 0.103 0.000 1.199 622 D HN 0.241 nan 8.370 nan 0.000 0.438 623 V N 3.425 123.371 119.914 0.055 0.000 2.483 623 V HA 0.526 4.647 4.120 0.001 0.000 0.295 623 V C 0.538 176.664 176.094 0.054 0.000 1.035 623 V CA -0.568 61.759 62.300 0.045 0.000 0.896 623 V CB 1.171 33.020 31.823 0.043 0.000 0.986 623 V HN 0.394 nan 8.190 nan 0.000 0.447 624 I N -0.075 120.519 120.570 0.040 0.000 3.343 624 I HA 0.731 4.901 4.170 0.001 0.000 0.315 624 I C -1.249 174.891 176.117 0.038 0.000 1.153 624 I CA -0.989 60.342 61.300 0.052 0.000 0.952 624 I CB 2.625 40.651 38.000 0.043 0.000 1.287 624 I HN 0.356 nan 8.210 nan 0.000 0.472 625 D N 2.147 122.572 120.400 0.041 0.000 2.198 625 D HA 0.586 5.226 4.640 0.001 0.000 0.247 625 D C -0.707 175.612 176.300 0.033 0.000 1.010 625 D CA -0.138 53.886 54.000 0.040 0.000 0.880 625 D CB 3.060 43.877 40.800 0.027 0.000 1.209 625 D HN 0.573 nan 8.370 nan 0.000 0.451 626 V N -1.450 118.498 119.914 0.057 0.000 3.007 626 V HA 0.779 4.900 4.120 0.001 0.000 0.311 626 V C -0.191 175.959 176.094 0.093 0.000 1.120 626 V CA -0.797 61.529 62.300 0.042 0.000 0.980 626 V CB 1.677 33.504 31.823 0.007 0.000 1.033 626 V HN 0.673 nan 8.190 nan 0.000 0.429 627 T N 0.880 115.460 114.554 0.044 0.000 2.945 627 T HA 0.756 5.107 4.350 0.001 0.000 0.286 627 T C -0.423 174.304 174.700 0.046 0.000 1.025 627 T CA -0.747 61.394 62.100 0.069 0.000 1.039 627 T CB 1.586 70.454 68.868 -0.001 0.000 1.068 627 T HN 0.684 nan 8.240 nan 0.000 0.497 628 I N 2.236 122.849 120.570 0.072 0.000 2.301 628 I HA 0.378 4.548 4.170 0.001 0.000 0.292 628 I C 1.279 177.386 176.117 -0.016 0.000 1.046 628 I CA -1.051 60.253 61.300 0.006 0.000 1.282 628 I CB 0.060 38.062 38.000 0.002 0.000 1.409 628 I HN 1.010 nan 8.210 nan 0.000 0.484 629 A N 6.698 129.494 122.820 -0.040 0.000 1.903 629 A HA 0.072 4.392 4.320 0.001 0.000 0.213 629 A C 0.618 178.195 177.584 -0.012 0.000 1.185 629 A CA 0.727 52.731 52.037 -0.055 0.000 0.628 629 A CB 0.120 19.054 19.000 -0.111 0.000 0.830 629 A HN 0.762 nan 8.150 nan 0.000 0.446 630 E N -2.065 118.140 120.200 0.008 0.000 2.407 630 E HA 0.580 4.931 4.350 0.001 0.000 0.279 630 E C -1.799 174.804 176.600 0.006 0.000 1.012 630 E CA -0.987 55.421 56.400 0.014 0.000 0.800 630 E CB 1.748 31.467 29.700 0.031 0.000 1.276 630 E HN -0.091 nan 8.360 nan 0.000 0.452 631 V N 1.645 121.561 119.914 0.003 0.000 2.409 631 V HA 0.432 4.552 4.120 0.001 0.000 0.290 631 V C -0.186 175.908 176.094 0.000 0.000 1.017 631 V CA -0.686 61.612 62.300 -0.002 0.000 0.841 631 V CB 1.004 32.828 31.823 0.002 0.000 1.003 631 V HN 0.586 nan 8.190 nan 0.000 0.426 635 T N -1.547 112.929 114.554 -0.131 0.000 3.044 635 T HA 0.262 4.613 4.350 0.001 0.000 0.250 635 T C 0.583 175.112 174.700 -0.285 0.000 1.081 635 T CA 0.573 62.558 62.100 -0.192 0.000 1.040 635 T CB 0.166 68.942 68.868 -0.154 0.000 0.962 635 T HN 0.124 nan 8.240 nan 0.000 0.506 636 R N 0.867 121.209 120.500 -0.263 0.000 3.875 636 R HA -0.120 4.220 4.340 0.001 0.000 0.321 636 R C -0.257 175.951 176.300 -0.154 0.000 1.196 636 R CA 0.761 56.714 56.100 -0.245 0.000 0.868 636 R CB -2.978 27.058 30.300 -0.440 0.000 1.333 636 R HN 0.514 nan 8.270 nan 0.000 0.522 637 S N 0.330 115.955 115.700 -0.125 0.000 2.584 637 S HA 0.575 5.045 4.470 0.001 0.000 0.273 637 S C 0.624 175.197 174.600 -0.044 0.000 1.311 637 S CA -0.479 57.670 58.200 -0.086 0.000 1.034 637 S CB 1.253 64.400 63.200 -0.088 0.000 0.939 637 S HN 0.235 nan 8.310 nan 0.000 0.513 638 I N 3.221 123.775 120.570 -0.026 0.000 2.406 638 I HA 0.356 4.526 4.170 0.001 0.000 0.290 638 I C -0.845 175.288 176.117 0.026 0.000 0.999 638 I CA -0.682 60.606 61.300 -0.019 0.000 1.124 638 I CB 1.247 39.208 38.000 -0.064 0.000 1.289 638 I HN 0.333 nan 8.210 nan 0.000 0.441 639 I N 5.208 125.802 120.570 0.041 0.000 2.336 639 I HA 0.602 4.772 4.170 0.001 0.000 0.292 639 I C 0.483 176.614 176.117 0.024 0.000 0.991 639 I CA -0.370 60.981 61.300 0.084 0.000 1.227 639 I CB 1.228 39.314 38.000 0.144 0.000 1.366 639 I HN 0.596 nan 8.210 nan 0.000 0.466 640 A N 7.600 130.419 122.820 -0.002 0.000 2.350 640 A HA 0.916 5.237 4.320 0.001 0.000 0.318 640 A C -0.238 177.315 177.584 -0.051 0.000 1.132 640 A CA -0.737 51.273 52.037 -0.045 0.000 0.811 640 A CB 1.678 20.633 19.000 -0.075 0.000 1.313 640 A HN 0.710 nan 8.150 nan 0.000 0.454 641 R N 0.266 120.713 120.500 -0.088 0.000 2.673 641 R HA 0.475 4.815 4.340 0.001 0.000 0.281 641 R C -2.983 173.270 176.300 -0.078 0.000 0.991 641 R CA -1.762 54.264 56.100 -0.123 0.000 0.896 641 R CB 2.239 32.370 30.300 -0.281 0.000 1.201 641 R HN 0.442 nan 8.270 nan 0.000 0.457 642 P HA 0.012 nan 4.420 nan 0.000 0.270 642 P C -0.421 176.874 177.300 -0.009 0.000 1.223 642 P CA -0.410 62.680 63.100 -0.017 0.000 0.785 642 P CB 0.536 32.262 31.700 0.043 0.000 0.923 643 V N 1.765 121.684 119.914 0.009 0.000 2.572 643 V HA 0.244 4.365 4.120 0.001 0.000 0.291 643 V C 1.011 177.114 176.094 0.015 0.000 1.039 643 V CA 0.044 62.346 62.300 0.004 0.000 1.055 643 V CB 0.117 31.944 31.823 0.006 0.000 0.969 643 V HN 0.709 nan 8.190 nan 0.000 0.482 644 A N 0.000 122.820 122.820 -0.000 0.000 2.254 644 A HA 0.000 4.320 4.320 0.001 0.000 0.244 644 A CA 0.000 52.041 52.037 0.006 0.000 0.836 644 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 644 A HN 0.000 nan 8.150 nan 0.000 0.486