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 2azd_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.576 174.600 -0.040 0.000 1.055 1 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 2 Q N 1.948 121.718 119.800 -0.050 0.000 2.804 2 Q HA 0.046 4.387 4.340 0.001 0.000 0.334 2 Q C -2.109 173.920 176.000 0.048 0.000 1.105 2 Q CA -0.168 55.611 55.803 -0.039 0.000 1.128 2 Q CB -0.209 28.500 28.738 -0.048 0.000 0.972 2 Q HN 0.460 nan 8.270 nan 0.000 0.403 3 P HA 0.124 nan 4.420 nan 0.000 0.274 3 P C -0.890 176.672 177.300 0.437 0.000 1.231 3 P CA -0.270 62.963 63.100 0.222 0.000 0.790 3 P CB 0.624 32.454 31.700 0.217 0.000 0.951 4 I N 2.529 123.309 120.570 0.350 0.000 2.339 4 I HA 0.252 4.423 4.170 0.001 0.000 0.290 4 I C 0.150 176.303 176.117 0.060 0.000 0.994 4 I CA -1.053 60.391 61.300 0.240 0.000 1.191 4 I CB 0.009 38.066 38.000 0.096 0.000 1.343 4 I HN 0.337 nan 8.210 nan 0.000 0.458 5 F N 7.567 127.227 119.950 -0.484 0.000 2.518 5 F HA 0.225 4.752 4.527 0.001 0.000 0.359 5 F C 0.444 175.934 175.800 -0.516 0.000 1.118 5 F CA 0.402 57.718 58.000 -1.141 0.000 1.287 5 F CB 0.451 38.489 39.000 -1.604 0.000 1.132 5 F HN 0.534 nan 8.300 nan 0.000 0.587 6 N N 4.624 122.581 118.700 -1.237 0.000 2.480 6 N HA 0.072 4.812 4.740 0.001 0.000 0.289 6 N C -0.095 174.818 175.510 -0.994 0.000 1.073 6 N CA -0.347 52.247 53.050 -0.760 0.000 0.885 6 N CB 1.342 39.585 38.487 -0.407 0.000 1.421 6 N HN 0.866 nan 8.380 nan 0.000 0.503 7 D N 2.906 122.940 120.400 -0.611 0.000 2.182 7 D HA -0.172 4.468 4.640 0.001 0.000 0.201 7 D C 1.671 177.916 176.300 -0.093 0.000 0.986 7 D CA 1.463 55.311 54.000 -0.254 0.000 0.847 7 D CB 0.437 41.263 40.800 0.044 0.000 0.942 7 D HN 0.590 nan 8.370 nan 0.000 0.467 8 K N 0.286 120.612 120.400 -0.123 0.000 2.062 8 K HA -0.197 4.123 4.320 0.001 0.000 0.205 8 K C 2.161 178.707 176.600 -0.089 0.000 1.051 8 K CA 1.070 57.319 56.287 -0.064 0.000 0.941 8 K CB -0.251 32.210 32.500 -0.064 0.000 0.719 8 K HN 0.280 nan 8.250 nan 0.000 0.440 9 Q N -0.150 119.557 119.800 -0.155 0.000 2.135 9 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 9 Q C 2.008 177.939 176.000 -0.115 0.000 0.981 9 Q CA 1.574 57.288 55.803 -0.148 0.000 0.856 9 Q CB -0.252 28.379 28.738 -0.178 0.000 0.902 9 Q HN 0.392 nan 8.270 nan 0.000 0.425 10 F N 1.191 120.966 119.950 -0.290 0.000 2.113 10 F HA -0.185 4.343 4.527 0.001 0.000 0.297 10 F C 2.247 178.021 175.800 -0.044 0.000 1.103 10 F CA 1.571 59.476 58.000 -0.158 0.000 1.248 10 F CB -0.141 38.786 39.000 -0.121 0.000 0.999 10 F HN 0.099 nan 8.300 nan 0.000 0.475 11 Q N 0.468 120.263 119.800 -0.009 0.000 2.119 11 Q HA -0.194 4.147 4.340 0.001 0.000 0.201 11 Q C 2.104 178.022 176.000 -0.137 0.000 0.972 11 Q CA 1.802 57.584 55.803 -0.034 0.000 0.847 11 Q CB -0.523 28.302 28.738 0.146 0.000 0.903 11 Q HN 0.616 nan 8.270 nan 0.000 0.433 12 E N 0.900 121.019 120.200 -0.135 0.000 2.110 12 E HA -0.142 4.209 4.350 0.001 0.000 0.193 12 E C 1.980 178.420 176.600 -0.266 0.000 0.988 12 E CA 0.975 57.270 56.400 -0.175 0.000 0.804 12 E CB -0.087 29.531 29.700 -0.137 0.000 0.745 12 E HN 0.336 nan 8.360 nan 0.000 0.458 13 A N 1.131 123.782 122.820 -0.282 0.000 1.902 13 A HA -0.167 4.154 4.320 0.001 0.000 0.217 13 A C 2.166 179.493 177.584 -0.428 0.000 1.181 13 A CA 1.027 52.874 52.037 -0.317 0.000 0.623 13 A CB -0.564 18.283 19.000 -0.255 0.000 0.818 13 A HN 0.232 nan 8.150 nan 0.000 0.443 14 L N 0.774 121.677 121.223 -0.532 0.000 2.079 14 L HA -0.151 4.190 4.340 0.001 0.000 0.210 14 L C 2.717 179.264 176.870 -0.540 0.000 1.081 14 L CA 2.699 57.221 54.840 -0.530 0.000 0.752 14 L CB -0.457 41.233 42.059 -0.616 0.000 0.896 14 L HN 0.509 nan 8.230 nan 0.000 0.433 15 S N -1.421 113.934 115.700 -0.574 0.000 2.436 15 S HA -0.101 4.370 4.470 0.001 0.000 0.228 15 S C 2.097 175.998 174.600 -1.164 0.000 1.014 15 S CA 0.282 57.800 58.200 -1.137 0.000 0.950 15 S CB -0.496 62.325 63.200 -0.631 0.000 0.784 15 S HN 0.491 nan 8.310 nan 0.000 0.504 16 R N 0.777 120.854 120.500 -0.704 0.000 2.120 16 R HA -0.032 4.309 4.340 0.001 0.000 0.234 16 R C 2.494 178.426 176.300 -0.613 0.000 1.123 16 R CA 1.538 57.296 56.100 -0.570 0.000 0.975 16 R CB -0.209 29.855 30.300 -0.393 0.000 0.866 16 R HN 0.532 nan 8.270 nan 0.000 0.446 17 Q N -0.108 119.288 119.800 -0.674 0.000 2.008 17 Q HA -0.153 4.188 4.340 0.001 0.000 0.196 17 Q C 2.133 177.547 176.000 -0.977 0.000 0.973 17 Q CA 1.447 56.795 55.803 -0.758 0.000 0.826 17 Q CB -0.581 27.779 28.738 -0.629 0.000 0.894 17 Q HN 0.602 nan 8.270 nan 0.000 0.439 18 W N 1.325 122.211 121.300 -0.691 0.000 2.402 18 W HA -0.060 4.600 4.660 0.001 0.000 0.286 18 W C 1.394 177.675 176.519 -0.397 0.000 1.221 18 W CA 0.601 57.604 57.345 -0.570 0.000 1.257 18 W CB -0.763 28.465 29.460 -0.387 0.000 1.120 18 W HN 0.223 nan 8.180 nan 0.000 0.551 19 Q N 0.826 120.276 119.800 -0.583 0.000 2.124 19 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 19 Q C 2.467 178.308 176.000 -0.266 0.000 0.977 19 Q CA 1.651 57.227 55.803 -0.378 0.000 0.850 19 Q CB -0.398 28.014 28.738 -0.542 0.000 0.901 19 Q HN 0.256 nan 8.270 nan 0.000 0.429 20 R N -0.171 120.100 120.500 -0.381 0.000 2.152 20 R HA -0.139 4.202 4.340 0.001 0.000 0.232 20 R C 1.023 177.284 176.300 -0.064 0.000 1.117 20 R CA 1.000 56.947 56.100 -0.254 0.000 0.981 20 R CB 0.136 30.250 30.300 -0.310 0.000 0.870 20 R HN 0.301 nan 8.270 nan 0.000 0.451 21 Y N -0.476 119.782 120.300 -0.070 0.000 2.529 21 Y HA 0.254 4.804 4.550 0.001 0.000 0.290 21 Y C 1.435 177.325 175.900 -0.017 0.000 1.177 21 Y CA 0.113 58.187 58.100 -0.043 0.000 1.305 21 Y CB -0.445 37.988 38.460 -0.044 0.000 1.047 21 Y HN 0.236 nan 8.280 nan 0.000 0.522 22 G N 0.728 109.588 108.800 0.099 0.000 2.246 22 G HA2 -0.279 3.681 3.960 0.001 0.000 0.273 22 G HA3 -0.279 3.681 3.960 0.001 0.000 0.273 22 G C -0.145 174.816 174.900 0.102 0.000 1.055 22 G CA 0.131 45.275 45.100 0.074 0.000 0.851 22 G HN 0.322 nan 8.290 nan 0.000 0.500 23 L N -0.766 120.554 121.223 0.161 0.000 2.387 23 L HA 0.439 4.779 4.340 0.001 0.000 0.266 23 L C 1.413 178.403 176.870 0.199 0.000 1.059 23 L CA -1.240 53.690 54.840 0.150 0.000 0.801 23 L CB 0.766 42.907 42.059 0.138 0.000 1.223 23 L HN -0.000 nan 8.230 nan 0.000 0.456 24 N N -0.115 118.617 118.700 0.052 0.000 2.416 24 N HA -0.019 4.721 4.740 0.001 0.000 0.177 24 N C 0.009 175.349 175.510 -0.283 0.000 1.036 24 N CA 0.480 53.538 53.050 0.012 0.000 0.901 24 N CB 0.337 38.809 38.487 -0.024 0.000 0.976 24 N HN 0.696 nan 8.380 nan 0.000 0.444 25 S N -2.296 112.980 115.700 -0.708 0.000 2.611 25 S HA 0.612 5.082 4.470 0.001 0.000 0.268 25 S C 0.518 174.222 174.600 -1.493 0.000 1.156 25 S CA -0.315 57.021 58.200 -1.439 0.000 0.817 25 S CB 1.256 64.077 63.200 -0.631 0.000 1.122 25 S HN -0.003 nan 8.310 nan 0.000 0.466 26 A N 0.936 122.761 122.820 -1.658 0.000 1.978 26 A HA 0.254 4.575 4.320 0.001 0.000 0.220 26 A C 2.202 179.544 177.584 -0.402 0.000 1.170 26 A CA 2.045 53.470 52.037 -1.020 0.000 0.636 26 A CB -1.483 17.139 19.000 -0.629 0.000 0.810 26 A HN 1.674 nan 8.150 nan 0.000 0.448 27 A N -0.378 122.360 122.820 -0.137 0.000 2.119 27 A HA -0.047 4.273 4.320 0.001 0.000 0.217 27 A C 1.701 179.318 177.584 0.056 0.000 1.153 27 A CA 1.215 53.324 52.037 0.121 0.000 0.692 27 A CB -0.378 18.672 19.000 0.083 0.000 0.799 27 A HN 0.640 nan 8.150 nan 0.000 0.458 28 E N -0.413 119.732 120.200 -0.093 0.000 2.482 28 E HA 0.036 4.387 4.350 0.001 0.000 0.196 28 E C 0.174 176.750 176.600 -0.040 0.000 1.047 28 E CA -0.166 56.199 56.400 -0.057 0.000 0.869 28 E CB -0.150 29.497 29.700 -0.087 0.000 0.836 28 E HN 0.644 nan 8.360 nan 0.000 0.520 29 M N 1.485 121.020 119.600 -0.109 0.000 2.248 29 M HA 0.014 4.494 4.480 0.001 0.000 0.337 29 M C 0.780 177.130 176.300 0.083 0.000 1.121 29 M CA 0.148 55.368 55.300 -0.133 0.000 1.155 29 M CB 0.521 32.741 32.600 -0.633 0.000 1.514 29 M HN -0.021 nan 8.290 nan 0.000 0.452 30 T N -0.395 114.200 114.554 0.069 0.000 2.828 30 T HA 0.205 4.556 4.350 0.001 0.000 0.290 30 T C -2.104 172.753 174.700 0.262 0.000 1.019 30 T CA -1.558 60.622 62.100 0.134 0.000 1.031 30 T CB 0.501 69.405 68.868 0.060 0.000 1.001 30 T HN 0.393 nan 8.240 nan 0.000 0.531 31 P HA -0.087 nan 4.420 nan 0.000 0.216 31 P C 1.696 179.179 177.300 0.305 0.000 1.153 31 P CA 0.997 64.272 63.100 0.293 0.000 0.858 31 P CB 0.053 31.857 31.700 0.174 0.000 0.789 32 R N -0.284 120.340 120.500 0.207 0.000 2.092 32 R HA -0.137 4.204 4.340 0.001 0.000 0.231 32 R C 2.338 178.763 176.300 0.209 0.000 1.119 32 R CA 1.396 57.627 56.100 0.218 0.000 0.970 32 R CB -0.382 29.987 30.300 0.116 0.000 0.864 32 R HN 0.223 nan 8.270 nan 0.000 0.440 33 Q N -0.933 118.917 119.800 0.084 0.000 2.084 33 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 33 Q C 1.735 177.792 176.000 0.094 0.000 0.978 33 Q CA 1.965 57.750 55.803 -0.030 0.000 0.844 33 Q CB -0.184 28.467 28.738 -0.145 0.000 0.898 33 Q HN 0.445 nan 8.270 nan 0.000 0.426 34 W N -0.426 120.953 121.300 0.131 0.000 2.317 34 W HA -0.270 4.390 4.660 0.001 0.000 0.318 34 W C 2.074 178.663 176.519 0.117 0.000 1.227 34 W CA 1.057 58.471 57.345 0.114 0.000 1.269 34 W CB -0.549 28.977 29.460 0.109 0.000 1.155 34 W HN 0.374 nan 8.180 nan 0.000 0.484 35 W N 0.297 121.771 121.300 0.290 0.000 2.363 35 W HA -0.161 4.499 4.660 0.001 0.000 0.296 35 W C 1.911 178.499 176.519 0.116 0.000 1.212 35 W CA 1.812 59.275 57.345 0.196 0.000 1.260 35 W CB -0.667 28.891 29.460 0.163 0.000 1.131 35 W HN -0.201 nan 8.180 nan 0.000 0.530 36 L N 0.320 121.439 121.223 -0.173 0.000 2.109 36 L HA -0.091 4.249 4.340 0.001 0.000 0.207 36 L C 2.720 179.402 176.870 -0.314 0.000 1.086 36 L CA 1.246 55.838 54.840 -0.412 0.000 0.760 36 L CB -1.238 40.764 42.059 -0.095 0.000 0.910 36 L HN 0.077 nan 8.230 nan 0.000 0.437 37 A N -0.363 122.389 122.820 -0.113 0.000 1.854 37 A HA -0.121 4.200 4.320 0.001 0.000 0.214 37 A C 2.317 179.775 177.584 -0.211 0.000 1.192 37 A CA 1.512 53.451 52.037 -0.163 0.000 0.611 37 A CB -0.806 18.095 19.000 -0.165 0.000 0.832 37 A HN 0.139 nan 8.150 nan 0.000 0.442 38 V N 0.038 119.902 119.914 -0.083 0.000 2.343 38 V HA -0.219 3.902 4.120 0.001 0.000 0.247 38 V C 2.810 178.828 176.094 -0.125 0.000 1.051 38 V CA 2.353 64.672 62.300 0.032 0.000 1.036 38 V CB -0.731 31.238 31.823 0.243 0.000 0.654 38 V HN 0.555 nan 8.190 nan 0.000 0.451 39 S N -0.757 114.691 115.700 -0.420 0.000 2.368 39 S HA -0.171 4.299 4.470 0.001 0.000 0.224 39 S C 1.952 176.019 174.600 -0.889 0.000 1.029 39 S CA 1.247 59.022 58.200 -0.709 0.000 0.988 39 S CB -0.243 62.306 63.200 -1.085 0.000 0.838 39 S HN 0.632 nan 8.310 nan 0.000 0.462 40 E N 1.395 121.197 120.200 -0.662 0.000 2.072 40 E HA -0.080 4.271 4.350 0.001 0.000 0.191 40 E C 2.415 178.780 176.600 -0.391 0.000 0.985 40 E CA 1.004 57.085 56.400 -0.532 0.000 0.801 40 E CB -0.337 29.137 29.700 -0.376 0.000 0.750 40 E HN 0.483 nan 8.360 nan 0.000 0.452 41 A N 1.499 124.131 122.820 -0.314 0.000 1.908 41 A HA -0.178 4.143 4.320 0.001 0.000 0.218 41 A C 2.312 179.859 177.584 -0.061 0.000 1.181 41 A CA 1.256 53.161 52.037 -0.219 0.000 0.627 41 A CB -0.731 18.092 19.000 -0.294 0.000 0.818 41 A HN 0.149 nan 8.150 nan 0.000 0.445 42 L N -1.074 120.131 121.223 -0.030 0.000 2.156 42 L HA -0.108 4.233 4.340 0.001 0.000 0.208 42 L C 3.028 179.902 176.870 0.006 0.000 1.095 42 L CA 0.828 55.763 54.840 0.158 0.000 0.770 42 L CB -0.450 41.783 42.059 0.289 0.000 0.914 42 L HN 0.428 nan 8.230 nan 0.000 0.439 43 A N -0.298 122.268 122.820 -0.424 0.000 1.930 43 A HA -0.217 4.104 4.320 0.001 0.000 0.217 43 A C 2.231 179.791 177.584 -0.039 0.000 1.175 43 A CA 1.517 53.392 52.037 -0.270 0.000 0.627 43 A CB -0.376 18.313 19.000 -0.518 0.000 0.815 43 A HN 0.396 nan 8.150 nan 0.000 0.443 44 E N -0.780 119.367 120.200 -0.089 0.000 2.110 44 E HA -0.164 4.187 4.350 0.001 0.000 0.193 44 E C 2.073 178.695 176.600 0.037 0.000 0.988 44 E CA 1.334 57.706 56.400 -0.046 0.000 0.804 44 E CB -0.170 29.469 29.700 -0.102 0.000 0.745 44 E HN 0.673 nan 8.360 nan 0.000 0.458 45 M N -0.016 119.649 119.600 0.108 0.000 2.132 45 M HA -0.150 4.330 4.480 0.001 0.000 0.263 45 M C 2.369 178.826 176.300 0.262 0.000 1.065 45 M CA 0.858 56.287 55.300 0.215 0.000 1.122 45 M CB -0.172 32.652 32.600 0.372 0.000 1.365 45 M HN 0.165 nan 8.290 nan 0.000 0.411 46 L N 0.536 121.913 121.223 0.256 0.000 2.083 46 L HA -0.170 4.171 4.340 0.001 0.000 0.209 46 L C 2.299 179.251 176.870 0.137 0.000 1.083 46 L CA 1.901 56.853 54.840 0.186 0.000 0.752 46 L CB -0.333 41.848 42.059 0.203 0.000 0.899 46 L HN 0.143 nan 8.230 nan 0.000 0.433 47 R N -0.769 119.800 120.500 0.115 0.000 2.240 47 R HA 0.136 4.476 4.340 0.001 0.000 0.203 47 R C 1.992 178.332 176.300 0.067 0.000 1.011 47 R CA 0.679 56.829 56.100 0.082 0.000 1.007 47 R CB -0.335 29.999 30.300 0.057 0.000 0.911 47 R HN 0.445 nan 8.270 nan 0.000 0.468 48 A N 0.851 123.715 122.820 0.072 0.000 2.206 48 A HA -0.012 4.308 4.320 0.001 0.000 0.211 48 A C 0.600 178.231 177.584 0.078 0.000 1.158 48 A CA 0.414 52.486 52.037 0.059 0.000 0.761 48 A CB 0.080 19.107 19.000 0.044 0.000 0.801 48 A HN 0.087 nan 8.150 nan 0.000 0.473 49 Q N 0.837 120.700 119.800 0.104 0.000 2.354 49 Q HA 0.307 4.647 4.340 0.001 0.000 0.244 49 Q C -2.292 173.767 176.000 0.097 0.000 0.969 49 Q CA -1.899 53.969 55.803 0.109 0.000 0.885 49 Q CB -0.084 28.723 28.738 0.114 0.000 1.241 49 Q HN 0.274 nan 8.270 nan 0.000 0.461 50 P HA 0.035 nan 4.420 nan 0.000 0.268 50 P C -0.455 176.922 177.300 0.128 0.000 1.205 50 P CA -0.255 62.906 63.100 0.103 0.000 0.771 50 P CB 0.206 31.950 31.700 0.073 0.000 0.858 51 F N 2.649 122.602 119.950 0.005 0.000 2.571 51 F HA 0.256 4.784 4.527 0.001 0.000 0.384 51 F C 0.260 176.061 175.800 0.001 0.000 1.058 51 F CA -0.315 57.685 58.000 0.000 0.000 1.200 51 F CB 0.116 39.114 39.000 -0.004 0.000 1.077 51 F HN 0.412 nan 8.300 nan 0.000 0.558 52 A N 7.622 130.146 122.820 -0.493 0.000 2.260 52 A HA 0.377 4.698 4.320 0.001 0.000 0.308 52 A C -0.151 176.918 177.584 -0.858 0.000 1.254 52 A CA -0.892 50.863 52.037 -0.470 0.000 0.874 52 A CB 0.184 19.011 19.000 -0.287 0.000 1.153 52 A HN 0.769 nan 8.150 nan 0.000 0.527 53 K N 3.422 123.496 120.400 -0.543 0.000 2.382 53 K HA 0.275 4.596 4.320 0.001 0.000 0.275 53 K C -2.148 174.303 176.600 -0.249 0.000 1.009 53 K CA -1.001 55.056 56.287 -0.384 0.000 0.970 53 K CB 0.226 32.704 32.500 -0.037 0.000 0.934 53 K HN 0.575 nan 8.250 nan 0.000 0.479 54 P HA 0.080 nan 4.420 nan 0.000 0.277 54 P C -0.266 177.028 177.300 -0.011 0.000 1.271 54 P CA -0.608 62.454 63.100 -0.064 0.000 0.795 54 P CB 0.452 32.148 31.700 -0.006 0.000 1.101 55 V N 0.169 120.083 119.914 0.001 0.000 2.720 55 V HA 0.166 4.287 4.120 0.001 0.000 0.307 55 V C 1.083 177.201 176.094 0.039 0.000 1.071 55 V CA 0.454 62.765 62.300 0.018 0.000 1.199 55 V CB -0.325 31.512 31.823 0.022 0.000 0.900 55 V HN 0.816 nan 8.190 nan 0.000 0.494 56 A N 3.593 126.437 122.820 0.040 0.000 2.252 56 A HA 0.572 4.893 4.320 0.001 0.000 0.305 56 A C 0.760 178.373 177.584 0.050 0.000 1.097 56 A CA -0.331 51.738 52.037 0.053 0.000 0.849 56 A CB -0.184 18.845 19.000 0.048 0.000 1.142 56 A HN 1.076 nan 8.150 nan 0.000 0.499 57 N N -0.679 118.055 118.700 0.057 0.000 2.710 57 N HA -0.174 4.566 4.740 0.001 0.000 0.249 57 N C -0.592 174.938 175.510 0.034 0.000 1.059 57 N CA 1.447 54.522 53.050 0.042 0.000 0.720 57 N CB -1.065 37.436 38.487 0.023 0.000 0.983 57 N HN 0.713 nan 8.380 nan 0.000 0.544 58 Q N -0.028 119.806 119.800 0.057 0.000 2.306 58 Q HA 0.379 4.719 4.340 0.001 0.000 0.265 58 Q C -0.015 176.030 176.000 0.074 0.000 1.022 58 Q CA -0.933 54.904 55.803 0.058 0.000 0.853 58 Q CB 1.684 30.463 28.738 0.068 0.000 1.327 58 Q HN 0.195 nan 8.270 nan 0.000 0.449 59 R N 1.313 121.846 120.500 0.056 0.000 2.537 59 R HA -0.046 4.295 4.340 0.001 0.000 0.281 59 R C -0.056 176.295 176.300 0.085 0.000 0.988 59 R CA 0.177 56.321 56.100 0.074 0.000 1.077 59 R CB 0.016 30.342 30.300 0.043 0.000 0.932 59 R HN 0.534 nan 8.270 nan 0.000 0.409 60 H N 1.587 120.676 119.070 0.030 0.000 2.848 60 H HA 0.110 4.667 4.556 0.001 0.000 0.341 60 H C -0.638 174.636 175.328 -0.089 0.000 1.060 60 H CA -0.047 55.997 56.048 -0.006 0.000 1.444 60 H CB 0.679 30.462 29.762 0.036 0.000 1.446 60 H HN 0.170 nan 8.280 nan 0.000 0.583 61 V N 6.255 125.785 119.914 -0.640 0.000 2.370 61 V HA 0.161 4.282 4.120 0.001 0.000 0.279 61 V C -0.170 175.685 176.094 -0.399 0.000 1.029 61 V CA -0.874 61.065 62.300 -0.602 0.000 0.870 61 V CB 1.159 32.402 31.823 -0.967 0.000 0.984 61 V HN 0.841 nan 8.190 nan 0.000 0.451 62 N N 4.133 122.761 118.700 -0.120 0.000 2.546 62 N HA 0.259 5.000 4.740 0.001 0.000 0.238 62 N C -1.255 174.351 175.510 0.161 0.000 0.984 62 N CA -0.310 52.843 53.050 0.171 0.000 0.935 62 N CB 1.679 40.337 38.487 0.286 0.000 1.122 62 N HN 0.705 nan 8.380 nan 0.000 0.510 63 Y N 3.043 123.419 120.300 0.127 0.000 2.385 63 Y HA 0.431 4.981 4.550 0.001 0.000 0.341 63 Y C -0.296 175.828 175.900 0.373 0.000 0.965 63 Y CA -0.614 57.593 58.100 0.179 0.000 1.180 63 Y CB 0.515 39.065 38.460 0.150 0.000 1.139 63 Y HN 0.366 nan 8.280 nan 0.000 0.502 64 I N 5.059 125.671 120.570 0.070 0.000 2.339 64 I HA 0.383 4.553 4.170 0.001 0.000 0.290 64 I C -0.310 175.895 176.117 0.147 0.000 0.994 64 I CA -0.506 60.952 61.300 0.263 0.000 1.191 64 I CB 1.476 39.600 38.000 0.207 0.000 1.343 64 I HN 0.455 nan 8.210 nan 0.000 0.458 65 S N 5.844 121.701 115.700 0.263 0.000 2.548 65 S HA 0.423 4.894 4.470 0.001 0.000 0.276 65 S C 0.642 175.310 174.600 0.113 0.000 1.129 65 S CA -0.695 57.532 58.200 0.044 0.000 0.931 65 S CB 1.785 64.757 63.200 -0.379 0.000 1.068 65 S HN 0.661 nan 8.310 nan 0.000 0.480 66 M N 2.289 121.935 119.600 0.078 0.000 2.358 66 M HA -0.025 4.456 4.480 0.001 0.000 0.264 66 M C 0.367 176.710 176.300 0.072 0.000 1.064 66 M CA 1.376 56.712 55.300 0.060 0.000 1.093 66 M CB -0.524 31.958 32.600 -0.196 0.000 1.401 66 M HN 0.735 nan 8.290 nan 0.000 0.440 67 E N -1.208 118.957 120.200 -0.058 0.000 2.367 67 E HA 0.518 4.868 4.350 0.001 0.000 0.273 67 E C -1.391 175.076 176.600 -0.222 0.000 0.903 67 E CA -0.730 55.655 56.400 -0.024 0.000 0.764 67 E CB 1.487 31.121 29.700 -0.110 0.000 1.252 67 E HN -0.018 nan 8.360 nan 0.000 0.446 68 F N 1.659 121.633 119.950 0.040 0.000 2.902 68 F HA 0.244 4.771 4.527 0.001 0.000 0.368 68 F C -0.935 174.832 175.800 -0.055 0.000 1.202 68 F CA -0.797 57.208 58.000 0.008 0.000 1.109 68 F CB 1.626 40.636 39.000 0.017 0.000 1.418 68 F HN 0.383 nan 8.300 nan 0.000 0.527 69 L N 5.982 127.236 121.223 0.052 0.000 2.387 69 L HA 0.356 4.696 4.340 0.001 0.000 0.267 69 L C 1.054 177.919 176.870 -0.008 0.000 1.197 69 L CA 0.303 55.132 54.840 -0.018 0.000 1.070 69 L CB -0.348 41.690 42.059 -0.035 0.000 1.349 69 L HN 0.661 nan 8.230 nan 0.000 0.422 70 I N 0.320 120.864 120.570 -0.044 0.000 2.716 70 I HA 0.422 4.593 4.170 0.001 0.000 0.259 70 I C 1.193 177.247 176.117 -0.104 0.000 1.172 70 I CA 0.375 61.640 61.300 -0.059 0.000 1.478 70 I CB -0.782 37.162 38.000 -0.094 0.000 1.104 70 I HN 0.592 nan 8.210 nan 0.000 0.439 71 G N 1.759 110.483 108.800 -0.127 0.000 2.796 71 G HA2 -0.218 3.743 3.960 0.001 0.000 0.571 71 G HA3 -0.218 3.743 3.960 0.001 0.000 0.571 71 G C -0.407 174.428 174.900 -0.109 0.000 1.370 71 G CA -0.496 44.526 45.100 -0.130 0.000 0.856 71 G HN 0.537 nan 8.290 nan 0.000 0.538 72 R N -0.756 119.704 120.500 -0.068 0.000 2.638 72 R HA 0.282 4.622 4.340 0.001 0.000 0.268 72 R C 1.257 177.570 176.300 0.021 0.000 1.006 72 R CA 0.402 56.517 56.100 0.026 0.000 1.088 72 R CB 0.206 30.523 30.300 0.029 0.000 0.950 72 R HN 0.444 nan 8.270 nan 0.000 0.419 73 L N 1.254 122.544 121.223 0.112 0.000 2.672 73 L HA 0.037 4.378 4.340 0.001 0.000 0.236 73 L C 1.717 178.533 176.870 -0.090 0.000 1.092 73 L CA 0.240 55.029 54.840 -0.085 0.000 0.887 73 L CB 0.259 42.160 42.059 -0.263 0.000 1.168 73 L HN 0.732 nan 8.230 nan 0.000 0.502 74 T N 0.257 114.976 114.554 0.275 0.000 2.674 74 T HA -0.140 4.211 4.350 0.001 0.000 0.265 74 T C 1.890 176.731 174.700 0.236 0.000 1.039 74 T CA 1.733 64.091 62.100 0.430 0.000 1.150 74 T CB -0.446 68.857 68.868 0.725 0.000 0.864 74 T HN 0.501 nan 8.240 nan 0.000 0.427 75 G N 1.398 110.327 108.800 0.214 0.000 2.446 75 G HA2 -0.321 3.639 3.960 0.001 0.000 0.217 75 G HA3 -0.321 3.639 3.960 0.001 0.000 0.217 75 G C 1.481 176.447 174.900 0.111 0.000 1.168 75 G CA 1.338 46.563 45.100 0.208 0.000 0.771 75 G HN 0.582 nan 8.290 nan 0.000 0.551 76 N N 0.869 119.566 118.700 -0.005 0.000 2.094 76 N HA -0.155 4.586 4.740 0.001 0.000 0.191 76 N C 2.012 177.456 175.510 -0.111 0.000 1.023 76 N CA 1.832 54.831 53.050 -0.086 0.000 0.857 76 N CB -0.216 38.178 38.487 -0.156 0.000 1.013 76 N HN 0.196 nan 8.380 nan 0.000 0.426 77 N N -0.044 118.550 118.700 -0.177 0.000 2.188 77 N HA -0.037 4.704 4.740 0.001 0.000 0.184 77 N C 1.604 177.024 175.510 -0.149 0.000 1.018 77 N CA 0.692 53.580 53.050 -0.270 0.000 0.858 77 N CB -0.289 37.847 38.487 -0.585 0.000 0.989 77 N HN 0.315 nan 8.380 nan 0.000 0.426 78 L N 0.451 121.674 121.223 0.000 0.000 2.017 78 L HA -0.101 4.240 4.340 0.001 0.000 0.208 78 L C 2.326 179.241 176.870 0.074 0.000 1.073 78 L CA 0.801 55.686 54.840 0.076 0.000 0.745 78 L CB -0.486 41.675 42.059 0.170 0.000 0.894 78 L HN 0.167 nan 8.230 nan 0.000 0.432 79 L N -0.362 120.927 121.223 0.111 0.000 2.083 79 L HA -0.217 4.124 4.340 0.001 0.000 0.209 79 L C 2.368 179.258 176.870 0.032 0.000 1.083 79 L CA 1.504 56.390 54.840 0.077 0.000 0.752 79 L CB -0.380 41.699 42.059 0.034 0.000 0.899 79 L HN 0.336 nan 8.230 nan 0.000 0.433 80 N N -0.019 118.670 118.700 -0.019 0.000 2.244 80 N HA -0.127 4.614 4.740 0.001 0.000 0.183 80 N C 1.863 177.240 175.510 -0.222 0.000 1.016 80 N CA 1.438 54.466 53.050 -0.038 0.000 0.866 80 N CB -0.126 38.324 38.487 -0.061 0.000 0.980 80 N HN 0.427 nan 8.380 nan 0.000 0.430 81 L N -0.211 120.825 121.223 -0.311 0.000 2.313 81 L HA 0.069 4.410 4.340 0.001 0.000 0.214 81 L C 1.140 177.809 176.870 -0.334 0.000 1.119 81 L CA 0.479 54.995 54.840 -0.541 0.000 0.809 81 L CB -0.245 41.125 42.059 -1.148 0.000 0.933 81 L HN 0.209 nan 8.230 nan 0.000 0.449 82 G N -1.547 107.175 108.800 -0.130 0.000 2.149 82 G HA2 -0.243 3.718 3.960 0.001 0.000 0.235 82 G HA3 -0.243 3.718 3.960 0.001 0.000 0.235 82 G C -0.019 175.047 174.900 0.275 0.000 1.018 82 G CA -0.023 45.105 45.100 0.047 0.000 0.728 82 G HN 0.336 nan 8.290 nan 0.000 0.508 83 W N -1.164 120.108 121.300 -0.048 0.000 3.008 83 W HA 0.410 5.071 4.660 0.001 0.000 0.355 83 W C 1.563 177.945 176.519 -0.228 0.000 1.095 83 W CA -0.741 56.493 57.345 -0.184 0.000 1.738 83 W CB -0.780 28.586 29.460 -0.157 0.000 1.091 83 W HN 0.344 nan 8.180 nan 0.000 0.574 84 Y N 1.984 122.306 120.300 0.038 0.000 2.114 84 Y HA -0.325 4.225 4.550 0.001 0.000 0.284 84 Y C 2.621 178.465 175.900 -0.093 0.000 1.143 84 Y CA 2.825 60.913 58.100 -0.019 0.000 1.135 84 Y CB -0.537 37.923 38.460 0.000 0.000 0.980 84 Y HN -0.021 nan 8.280 nan 0.000 0.499 85 Q N 0.445 120.356 119.800 0.184 0.000 2.119 85 Q HA -0.160 4.181 4.340 0.001 0.000 0.201 85 Q C 1.766 177.685 176.000 -0.136 0.000 0.972 85 Q CA 2.114 57.960 55.803 0.072 0.000 0.847 85 Q CB -0.366 28.413 28.738 0.069 0.000 0.903 85 Q HN 0.497 nan 8.270 nan 0.000 0.433 86 D N -0.796 119.435 120.400 -0.283 0.000 2.123 86 D HA -0.143 4.497 4.640 0.001 0.000 0.196 86 D C 1.841 177.693 176.300 -0.747 0.000 0.992 86 D CA 1.519 55.191 54.000 -0.547 0.000 0.833 86 D CB -0.057 40.136 40.800 -1.013 0.000 0.954 86 D HN 0.183 nan 8.370 nan 0.000 0.455 87 V N 0.888 120.286 119.914 -0.859 0.000 2.343 87 V HA -0.247 3.873 4.120 0.001 0.000 0.247 87 V C 2.633 178.501 176.094 -0.377 0.000 1.051 87 V CA 1.539 63.410 62.300 -0.714 0.000 1.036 87 V CB -0.546 30.927 31.823 -0.584 0.000 0.654 87 V HN 0.163 nan 8.190 nan 0.000 0.451 88 Q N -0.232 119.388 119.800 -0.300 0.000 2.096 88 Q HA -0.266 4.075 4.340 0.001 0.000 0.204 88 Q C 1.988 177.937 176.000 -0.084 0.000 0.982 88 Q CA 2.212 57.920 55.803 -0.160 0.000 0.850 88 Q CB -0.101 28.582 28.738 -0.092 0.000 0.901 88 Q HN 0.643 nan 8.270 nan 0.000 0.422 89 D N -0.617 119.727 120.400 -0.093 0.000 2.097 89 D HA -0.104 4.537 4.640 0.001 0.000 0.195 89 D C 2.032 178.331 176.300 -0.000 0.000 0.989 89 D CA 1.299 55.275 54.000 -0.041 0.000 0.827 89 D CB -0.348 40.427 40.800 -0.042 0.000 0.966 89 D HN 0.115 nan 8.370 nan 0.000 0.456 90 S N 0.155 115.847 115.700 -0.013 0.000 2.400 90 S HA -0.082 4.388 4.470 0.001 0.000 0.232 90 S C 1.973 176.733 174.600 0.266 0.000 1.025 90 S CA 0.552 58.827 58.200 0.126 0.000 0.993 90 S CB -0.129 63.123 63.200 0.087 0.000 0.808 90 S HN 0.255 nan 8.310 nan 0.000 0.478 91 L N 0.652 121.988 121.223 0.189 0.000 2.558 91 L HA 0.080 4.421 4.340 0.001 0.000 0.225 91 L C 2.151 179.119 176.870 0.164 0.000 1.128 91 L CA 0.328 55.334 54.840 0.277 0.000 0.868 91 L CB -0.175 41.944 42.059 0.100 0.000 1.006 91 L HN 0.130 nan 8.230 nan 0.000 0.454 92 K N 0.786 121.230 120.400 0.073 0.000 2.032 92 K HA -0.149 4.172 4.320 0.001 0.000 0.209 92 K C 2.140 178.735 176.600 -0.009 0.000 1.048 92 K CA 1.589 57.886 56.287 0.017 0.000 0.927 92 K CB -0.359 32.142 32.500 0.001 0.000 0.712 92 K HN 0.277 nan 8.250 nan 0.000 0.441 93 A N 0.383 123.167 122.820 -0.060 0.000 2.131 93 A HA -0.154 4.166 4.320 0.001 0.000 0.220 93 A C 1.292 178.701 177.584 -0.292 0.000 1.158 93 A CA 1.199 53.115 52.037 -0.200 0.000 0.665 93 A CB -0.532 18.284 19.000 -0.307 0.000 0.795 93 A HN 0.326 nan 8.150 nan 0.000 0.460 94 Y N -0.152 120.170 120.300 0.037 0.000 2.458 94 Y HA 0.143 4.693 4.550 0.001 0.000 0.256 94 Y C 0.026 175.882 175.900 -0.073 0.000 1.159 94 Y CA -0.479 57.638 58.100 0.027 0.000 1.261 94 Y CB 0.192 38.691 38.460 0.066 0.000 1.119 94 Y HN 0.352 nan 8.280 nan 0.000 0.524 95 D N 0.566 120.987 120.400 0.034 0.000 2.699 95 D HA -0.178 4.462 4.640 0.001 0.000 0.239 95 D C -0.645 175.588 176.300 -0.111 0.000 1.136 95 D CA 0.660 54.644 54.000 -0.027 0.000 0.668 95 D CB -1.134 39.659 40.800 -0.012 0.000 1.060 95 D HN 0.185 nan 8.370 nan 0.000 0.429 96 I N 0.814 121.291 120.570 -0.155 0.000 2.404 96 I HA 0.198 4.368 4.170 0.001 0.000 0.293 96 I C 0.720 176.758 176.117 -0.132 0.000 0.992 96 I CA -0.739 60.401 61.300 -0.267 0.000 1.149 96 I CB 1.576 39.244 38.000 -0.554 0.000 1.315 96 I HN -0.112 nan 8.210 nan 0.000 0.446 97 N N 4.271 122.912 118.700 -0.099 0.000 2.408 97 N HA 0.148 4.888 4.740 0.001 0.000 0.257 97 N C 0.986 176.479 175.510 -0.030 0.000 1.064 97 N CA -0.441 52.585 53.050 -0.040 0.000 0.952 97 N CB 0.946 39.425 38.487 -0.014 0.000 1.093 97 N HN 0.533 nan 8.380 nan 0.000 0.490 98 L N 3.688 124.896 121.223 -0.026 0.000 2.012 98 L HA -0.151 4.190 4.340 0.001 0.000 0.210 98 L C 1.822 178.719 176.870 0.046 0.000 1.073 98 L CA 1.986 56.808 54.840 -0.031 0.000 0.748 98 L CB -1.022 40.941 42.059 -0.160 0.000 0.891 98 L HN 0.665 nan 8.230 nan 0.000 0.431 99 T N -0.200 114.408 114.554 0.091 0.000 2.597 99 T HA -0.227 4.123 4.350 0.001 0.000 0.267 99 T C 1.501 176.256 174.700 0.092 0.000 1.053 99 T CA 1.890 64.064 62.100 0.124 0.000 1.165 99 T CB -0.465 68.472 68.868 0.115 0.000 0.863 99 T HN 0.415 nan 8.240 nan 0.000 0.427 100 D N 0.828 121.267 120.400 0.066 0.000 2.123 100 D HA -0.055 4.585 4.640 0.001 0.000 0.196 100 D C 2.029 178.374 176.300 0.075 0.000 0.992 100 D CA 0.557 54.593 54.000 0.059 0.000 0.833 100 D CB -0.565 40.258 40.800 0.037 0.000 0.954 100 D HN 0.291 nan 8.370 nan 0.000 0.455 101 L N 0.126 121.401 121.223 0.087 0.000 2.083 101 L HA -0.123 4.218 4.340 0.001 0.000 0.209 101 L C 2.049 179.060 176.870 0.236 0.000 1.083 101 L CA 0.996 55.934 54.840 0.164 0.000 0.752 101 L CB -0.094 42.062 42.059 0.161 0.000 0.899 101 L HN 0.022 nan 8.230 nan 0.000 0.433 102 L N -0.359 120.983 121.223 0.197 0.000 2.141 102 L HA -0.158 4.183 4.340 0.001 0.000 0.209 102 L C 2.384 179.270 176.870 0.027 0.000 1.094 102 L CA 1.027 55.985 54.840 0.197 0.000 0.763 102 L CB -0.597 41.578 42.059 0.194 0.000 0.908 102 L HN 0.339 nan 8.230 nan 0.000 0.437 103 E N -0.101 120.115 120.200 0.028 0.000 2.478 103 E HA -0.141 4.210 4.350 0.001 0.000 0.198 103 E C 1.603 178.158 176.600 -0.076 0.000 1.046 103 E CA 0.288 56.682 56.400 -0.009 0.000 0.870 103 E CB 0.059 29.783 29.700 0.041 0.000 0.818 103 E HN 0.461 nan 8.360 nan 0.000 0.527 104 E N 1.162 121.284 120.200 -0.130 0.000 2.268 104 E HA -0.098 4.253 4.350 0.001 0.000 0.195 104 E C 0.620 176.906 176.600 -0.522 0.000 0.995 104 E CA 0.360 56.634 56.400 -0.210 0.000 0.836 104 E CB -0.053 29.614 29.700 -0.055 0.000 0.763 104 E HN 0.351 nan 8.360 nan 0.000 0.491 105 E N 1.039 120.743 120.200 -0.827 0.000 2.257 105 E HA 0.087 4.438 4.350 0.001 0.000 0.278 105 E C -0.445 175.961 176.600 -0.324 0.000 1.049 105 E CA -0.205 55.620 56.400 -0.958 0.000 0.876 105 E CB 0.353 29.614 29.700 -0.731 0.000 1.035 105 E HN -0.018 nan 8.360 nan 0.000 0.419 106 I N 4.705 125.181 120.570 -0.156 0.000 2.452 106 I HA -0.014 4.157 4.170 0.001 0.000 0.287 106 I C -0.053 176.083 176.117 0.031 0.000 1.079 106 I CA -0.397 60.902 61.300 -0.002 0.000 1.387 106 I CB 0.650 38.705 38.000 0.092 0.000 1.404 106 I HN 0.508 nan 8.210 nan 0.000 0.522 107 D N 9.169 129.546 120.400 -0.038 0.000 2.662 107 D HA -0.009 4.631 4.640 0.001 0.000 0.233 107 D C -2.272 173.883 176.300 -0.241 0.000 1.129 107 D CA -0.278 53.655 54.000 -0.111 0.000 0.851 107 D CB -0.037 40.684 40.800 -0.131 0.000 1.152 107 D HN 0.227 nan 8.370 nan 0.000 0.507 108 P HA 0.032 nan 4.420 nan 0.000 0.256 108 P C -0.690 175.981 177.300 -1.049 0.000 1.173 108 P CA 0.117 62.508 63.100 -1.182 0.000 0.768 108 P CB 0.477 31.467 31.700 -1.183 0.000 0.758 109 A N 4.588 126.599 122.820 -1.347 0.000 3.056 109 A HA 0.198 4.519 4.320 0.001 0.000 0.274 109 A C 0.681 178.033 177.584 -0.388 0.000 1.661 109 A CA 0.046 51.721 52.037 -0.603 0.000 1.363 109 A CB -1.098 17.740 19.000 -0.270 0.000 1.139 109 A HN 0.612 nan 8.150 nan 0.000 0.598 110 L N 0.488 121.521 121.223 -0.318 0.000 2.966 110 L HA 0.384 4.724 4.340 0.001 0.000 0.262 110 L C 1.006 177.900 176.870 0.040 0.000 1.165 110 L CA 0.290 55.100 54.840 -0.050 0.000 0.978 110 L CB 0.697 42.675 42.059 -0.135 0.000 1.337 110 L HN 0.670 nan 8.230 nan 0.000 0.563 111 G N -1.140 107.609 108.800 -0.085 0.000 2.663 111 G HA2 0.196 4.156 3.960 0.001 0.000 0.299 111 G HA3 0.196 4.156 3.960 0.001 0.000 0.299 111 G C -0.602 174.233 174.900 -0.109 0.000 1.372 111 G CA -0.122 44.924 45.100 -0.089 0.000 0.781 111 G HN -0.149 nan 8.290 nan 0.000 0.491 112 N N -1.890 116.783 118.700 -0.045 0.000 3.046 112 N HA 0.390 5.131 4.740 0.001 0.000 0.240 112 N C 1.031 176.544 175.510 0.005 0.000 1.017 112 N CA 1.490 54.544 53.050 0.006 0.000 1.126 112 N CB 0.482 39.074 38.487 0.176 0.000 1.642 112 N HN 0.924 nan 8.380 nan 0.000 0.548 113 G N -1.341 107.477 108.800 0.030 0.000 3.253 113 G HA2 0.388 4.348 3.960 0.001 0.000 0.175 113 G HA3 0.388 4.348 3.960 0.001 0.000 0.175 113 G C 0.599 175.491 174.900 -0.014 0.000 1.098 113 G CA 0.157 45.268 45.100 0.019 0.000 0.790 113 G HN 0.331 nan 8.290 nan 0.000 0.648 114 G N -0.196 108.590 108.800 -0.023 0.000 2.422 114 G HA2 -0.019 3.941 3.960 0.001 0.000 0.218 114 G HA3 -0.019 3.941 3.960 0.001 0.000 0.218 114 G C 1.742 176.580 174.900 -0.103 0.000 1.140 114 G CA 1.287 46.350 45.100 -0.061 0.000 0.775 114 G HN 0.388 nan 8.290 nan 0.000 0.545 115 L N 1.480 122.637 121.223 -0.111 0.000 2.012 115 L HA 0.093 4.433 4.340 0.001 0.000 0.210 115 L C 2.830 179.604 176.870 -0.160 0.000 1.073 115 L CA 2.399 57.132 54.840 -0.179 0.000 0.748 115 L CB -0.919 41.050 42.059 -0.149 0.000 0.891 115 L HN 0.164 nan 8.230 nan 0.000 0.431 116 G N -1.472 107.261 108.800 -0.113 0.000 2.408 116 G HA2 -0.301 3.659 3.960 0.001 0.000 0.217 116 G HA3 -0.301 3.659 3.960 0.001 0.000 0.217 116 G C 1.741 176.575 174.900 -0.109 0.000 1.150 116 G CA 0.750 45.770 45.100 -0.134 0.000 0.776 116 G HN 0.303 nan 8.290 nan 0.000 0.542 117 R N -0.061 120.393 120.500 -0.077 0.000 2.115 117 R HA 0.164 4.504 4.340 0.001 0.000 0.226 117 R C 2.287 178.535 176.300 -0.086 0.000 1.100 117 R CA 0.696 56.780 56.100 -0.026 0.000 0.980 117 R CB -0.816 29.485 30.300 0.000 0.000 0.875 117 R HN 0.349 nan 8.270 nan 0.000 0.445 118 L N 0.017 121.118 121.223 -0.203 0.000 2.027 118 L HA 0.083 4.424 4.340 0.001 0.000 0.206 118 L C 2.034 178.566 176.870 -0.563 0.000 1.074 118 L CA 2.142 56.725 54.840 -0.428 0.000 0.745 118 L CB -0.793 41.006 42.059 -0.434 0.000 0.898 118 L HN 0.208 nan 8.230 nan 0.000 0.433 119 A N -0.651 121.961 122.820 -0.347 0.000 1.972 119 A HA -0.059 4.261 4.320 0.001 0.000 0.219 119 A C 2.392 179.944 177.584 -0.054 0.000 1.169 119 A CA 1.632 53.498 52.037 -0.284 0.000 0.635 119 A CB -1.006 17.762 19.000 -0.386 0.000 0.810 119 A HN 0.571 nan 8.150 nan 0.000 0.446 120 A N -0.882 121.953 122.820 0.024 0.000 1.854 120 A HA -0.116 4.205 4.320 0.001 0.000 0.214 120 A C 2.284 179.919 177.584 0.085 0.000 1.192 120 A CA 1.457 53.571 52.037 0.128 0.000 0.611 120 A CB -1.352 17.712 19.000 0.106 0.000 0.832 120 A HN 0.573 nan 8.150 nan 0.000 0.442 121 C N -1.110 118.235 119.300 0.077 0.000 2.385 121 C HA -0.185 4.275 4.460 0.001 0.000 0.275 121 C C 2.473 177.614 174.990 0.251 0.000 1.207 121 C CA 1.113 60.223 59.018 0.153 0.000 1.760 121 C CB -1.679 26.162 27.740 0.169 0.000 2.051 121 C HN 0.602 nan 8.230 nan 0.000 0.467 122 F N 0.737 120.678 119.950 -0.014 0.000 2.113 122 F HA -0.014 4.513 4.527 0.001 0.000 0.297 122 F C 2.292 178.038 175.800 -0.091 0.000 1.103 122 F CA 0.847 58.803 58.000 -0.073 0.000 1.248 122 F CB -1.538 37.300 39.000 -0.269 0.000 0.999 122 F HN 0.198 nan 8.300 nan 0.000 0.475 123 L N -0.054 121.226 121.223 0.095 0.000 2.021 123 L HA -0.299 4.042 4.340 0.001 0.000 0.215 123 L C 2.172 179.057 176.870 0.023 0.000 1.074 123 L CA 2.161 57.020 54.840 0.032 0.000 0.760 123 L CB -0.877 41.204 42.059 0.037 0.000 0.889 123 L HN 0.132 nan 8.230 nan 0.000 0.433 124 D N -0.729 119.697 120.400 0.043 0.000 2.149 124 D HA -0.170 4.471 4.640 0.001 0.000 0.198 124 D C 2.189 178.509 176.300 0.033 0.000 0.990 124 D CA 1.428 55.438 54.000 0.017 0.000 0.839 124 D CB 0.209 41.016 40.800 0.012 0.000 0.948 124 D HN 0.114 nan 8.370 nan 0.000 0.460 125 S N -0.888 114.857 115.700 0.076 0.000 2.357 125 S HA -0.052 4.418 4.470 0.001 0.000 0.221 125 S C 1.975 176.604 174.600 0.048 0.000 1.031 125 S CA 0.736 58.980 58.200 0.073 0.000 0.982 125 S CB -0.197 63.073 63.200 0.116 0.000 0.853 125 S HN 0.322 nan 8.310 nan 0.000 0.458 126 M N 1.200 120.824 119.600 0.041 0.000 2.108 126 M HA -0.212 4.269 4.480 0.001 0.000 0.257 126 M C 2.388 178.684 176.300 -0.007 0.000 1.071 126 M CA 1.715 57.024 55.300 0.015 0.000 1.093 126 M CB -0.617 31.963 32.600 -0.033 0.000 1.345 126 M HN 0.405 nan 8.290 nan 0.000 0.403 127 A N -0.676 122.135 122.820 -0.016 0.000 1.930 127 A HA -0.117 4.203 4.320 0.001 0.000 0.217 127 A C 2.172 179.745 177.584 -0.020 0.000 1.175 127 A CA 2.030 54.047 52.037 -0.032 0.000 0.627 127 A CB -0.946 18.027 19.000 -0.045 0.000 0.815 127 A HN 0.436 nan 8.150 nan 0.000 0.443 128 T N -0.449 114.109 114.554 0.006 0.000 3.023 128 T HA -0.001 4.349 4.350 0.001 0.000 0.266 128 T C 1.535 176.250 174.700 0.025 0.000 1.093 128 T CA 1.488 63.606 62.100 0.029 0.000 1.129 128 T CB -0.212 68.686 68.868 0.050 0.000 0.899 128 T HN 0.583 nan 8.240 nan 0.000 0.491 129 V N -1.281 118.646 119.914 0.021 0.000 3.444 129 V HA 0.579 4.699 4.120 0.001 0.000 0.308 129 V C 1.359 177.460 176.094 0.010 0.000 1.371 129 V CA 0.152 62.465 62.300 0.022 0.000 1.141 129 V CB -0.827 31.017 31.823 0.036 0.000 1.037 129 V HN 0.407 nan 8.190 nan 0.000 0.433 130 G N 1.027 109.822 108.800 -0.008 0.000 2.225 130 G HA2 -0.359 3.602 3.960 0.001 0.000 0.267 130 G HA3 -0.359 3.602 3.960 0.001 0.000 0.267 130 G C 0.137 175.035 174.900 -0.003 0.000 1.024 130 G CA 0.745 45.832 45.100 -0.021 0.000 0.784 130 G HN 0.995 nan 8.290 nan 0.000 0.507 131 Q N 1.012 120.815 119.800 0.006 0.000 2.324 131 Q HA 0.539 4.879 4.340 0.001 0.000 0.257 131 Q C 0.717 176.684 176.000 -0.055 0.000 1.080 131 Q CA 0.341 56.145 55.803 0.001 0.000 0.907 131 Q CB 0.589 29.351 28.738 0.039 0.000 1.274 131 Q HN 0.480 nan 8.270 nan 0.000 0.434 132 S N 3.210 118.892 115.700 -0.030 0.000 2.563 132 S HA 0.481 4.952 4.470 0.001 0.000 0.294 132 S C -0.787 173.627 174.600 -0.311 0.000 1.279 132 S CA 0.470 58.663 58.200 -0.012 0.000 1.069 132 S CB -0.351 62.952 63.200 0.170 0.000 0.828 132 S HN 0.829 nan 8.310 nan 0.000 0.497 133 A N 4.120 126.728 122.820 -0.354 0.000 2.597 133 A HA 0.668 4.989 4.320 0.001 0.000 0.292 133 A C -0.775 176.669 177.584 -0.235 0.000 1.057 133 A CA -0.814 50.863 52.037 -0.600 0.000 0.674 133 A CB 1.476 20.253 19.000 -0.372 0.000 1.278 133 A HN 0.665 nan 8.150 nan 0.000 0.416 134 T N 0.878 115.321 114.554 -0.185 0.000 2.879 134 T HA 0.615 4.965 4.350 0.001 0.000 0.290 134 T C 0.240 174.809 174.700 -0.218 0.000 0.993 134 T CA 0.143 62.139 62.100 -0.174 0.000 0.975 134 T CB 1.614 70.370 68.868 -0.185 0.000 0.981 134 T HN 1.408 nan 8.240 nan 0.000 0.439 135 G N 1.735 110.389 108.800 -0.244 0.000 2.403 135 G HA2 0.487 4.448 3.960 0.001 0.000 0.259 135 G HA3 0.487 4.448 3.960 0.001 0.000 0.259 135 G C -1.317 173.403 174.900 -0.299 0.000 1.244 135 G CA -0.084 44.924 45.100 -0.154 0.000 0.849 135 G HN 0.620 nan 8.290 nan 0.000 0.532 136 Y N 1.084 121.508 120.300 0.207 0.000 2.338 136 Y HA 0.584 5.135 4.550 0.001 0.000 0.328 136 Y C 0.768 176.910 175.900 0.403 0.000 0.965 136 Y CA -0.251 57.985 58.100 0.227 0.000 1.208 136 Y CB 2.247 40.900 38.460 0.321 0.000 1.132 136 Y HN 0.812 nan 8.280 nan 0.000 0.469 137 G N 2.295 111.326 108.800 0.386 0.000 3.022 137 G HA2 0.735 4.696 3.960 0.001 0.000 0.284 137 G HA3 0.735 4.696 3.960 0.001 0.000 0.284 137 G C -1.790 173.271 174.900 0.268 0.000 1.375 137 G CA -1.023 44.342 45.100 0.442 0.000 0.902 137 G HN 0.416 nan 8.290 nan 0.000 0.538 138 L N 0.446 121.721 121.223 0.087 0.000 2.329 138 L HA 0.401 4.741 4.340 0.001 0.000 0.279 138 L C 0.177 176.833 176.870 -0.357 0.000 1.014 138 L CA -0.655 54.075 54.840 -0.185 0.000 0.814 138 L CB 2.077 43.812 42.059 -0.540 0.000 1.257 138 L HN 0.593 nan 8.230 nan 0.000 0.424 139 N N 2.468 121.080 118.700 -0.148 0.000 2.968 139 N HA 0.114 4.855 4.740 0.001 0.000 0.271 139 N C -1.102 174.394 175.510 -0.025 0.000 1.174 139 N CA -0.491 52.546 53.050 -0.022 0.000 1.096 139 N CB 0.168 38.632 38.487 -0.037 0.000 1.403 139 N HN 0.354 nan 8.380 nan 0.000 0.522 140 Y N 1.179 121.596 120.300 0.196 0.000 2.544 140 Y HA -0.057 4.493 4.550 0.001 0.000 0.330 140 Y C 1.757 177.788 175.900 0.218 0.000 1.136 140 Y CA 0.015 58.209 58.100 0.157 0.000 1.417 140 Y CB 0.696 39.222 38.460 0.110 0.000 1.229 140 Y HN 0.458 nan 8.280 nan 0.000 0.532 141 Q N 2.022 121.913 119.800 0.152 0.000 2.124 141 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 141 Q C 0.128 175.979 176.000 -0.248 0.000 0.977 141 Q CA 1.785 57.451 55.803 -0.228 0.000 0.850 141 Q CB 0.065 28.446 28.738 -0.595 0.000 0.901 141 Q HN 0.874 nan 8.270 nan 0.000 0.429 142 Y N -1.530 118.937 120.300 0.277 0.000 2.626 142 Y HA 0.330 4.880 4.550 0.001 0.000 0.248 142 Y C 0.913 176.910 175.900 0.162 0.000 1.147 142 Y CA 0.074 58.301 58.100 0.213 0.000 1.219 142 Y CB 0.833 39.371 38.460 0.130 0.000 1.279 142 Y HN 0.261 nan 8.280 nan 0.000 0.541 143 G N 1.079 110.026 108.800 0.244 0.000 2.582 143 G HA2 -0.390 3.571 3.960 0.001 0.000 0.288 143 G HA3 -0.390 3.571 3.960 0.001 0.000 0.288 143 G C 0.721 175.607 174.900 -0.023 0.000 1.247 143 G CA 0.686 45.797 45.100 0.018 0.000 0.972 143 G HN 0.291 nan 8.290 nan 0.000 0.557 144 L N -0.053 121.137 121.223 -0.054 0.000 2.115 144 L HA 0.649 4.990 4.340 0.001 0.000 0.200 144 L C 0.933 177.951 176.870 0.247 0.000 1.094 144 L CA 2.652 57.515 54.840 0.039 0.000 0.769 144 L CB -0.147 41.875 42.059 -0.061 0.000 0.931 144 L HN 1.268 nan 8.230 nan 0.000 0.455 145 F N -3.016 116.945 119.950 0.019 0.000 2.793 145 F HA 0.372 4.899 4.527 0.001 0.000 0.316 145 F C -0.615 175.188 175.800 0.006 0.000 1.147 145 F CA -1.457 56.552 58.000 0.016 0.000 0.930 145 F CB 0.528 39.529 39.000 0.000 0.000 1.277 145 F HN -0.175 nan 8.300 nan 0.000 0.443 146 R N 2.238 122.819 120.500 0.136 0.000 2.298 146 R HA 0.300 4.641 4.340 0.001 0.000 0.310 146 R C -0.715 175.678 176.300 0.155 0.000 1.068 146 R CA -0.357 55.771 56.100 0.047 0.000 0.957 146 R CB 1.054 31.386 30.300 0.053 0.000 1.003 146 R HN 0.873 nan 8.270 nan 0.000 0.454 147 Q N 2.875 122.690 119.800 0.024 0.000 2.256 147 Q HA 0.249 4.590 4.340 0.001 0.000 0.254 147 Q C -1.108 174.779 176.000 -0.187 0.000 0.916 147 Q CA -0.399 55.422 55.803 0.029 0.000 0.932 147 Q CB 1.278 29.986 28.738 -0.050 0.000 1.207 147 Q HN 0.823 nan 8.270 nan 0.000 0.426 148 S N 2.444 118.012 115.700 -0.220 0.000 2.704 148 S HA 0.722 5.192 4.470 0.001 0.000 0.296 148 S C -1.078 173.289 174.600 -0.387 0.000 1.138 148 S CA -0.739 57.258 58.200 -0.339 0.000 0.875 148 S CB 1.019 64.138 63.200 -0.134 0.000 1.151 148 S HN 0.402 nan 8.310 nan 0.000 0.500 149 F N 0.585 120.502 119.950 -0.055 0.000 2.460 149 F HA 0.620 5.148 4.527 0.001 0.000 0.341 149 F C -0.566 175.212 175.800 -0.037 0.000 1.130 149 F CA -1.335 56.621 58.000 -0.072 0.000 0.962 149 F CB 1.841 40.773 39.000 -0.112 0.000 1.171 149 F HN 0.408 nan 8.300 nan 0.000 0.436 150 V N 3.510 123.521 119.914 0.162 0.000 2.448 150 V HA 0.304 4.425 4.120 0.001 0.000 0.295 150 V C -0.435 175.710 176.094 0.084 0.000 1.025 150 V CA -1.092 61.263 62.300 0.091 0.000 0.859 150 V CB 1.542 33.392 31.823 0.045 0.000 0.988 150 V HN 0.773 nan 8.190 nan 0.000 0.431 151 D N 4.203 124.653 120.400 0.084 0.000 2.751 151 D HA -0.213 4.427 4.640 0.001 0.000 0.233 151 D C 1.302 177.701 176.300 0.165 0.000 1.149 151 D CA 1.461 55.522 54.000 0.100 0.000 0.682 151 D CB -1.079 39.769 40.800 0.081 0.000 1.068 151 D HN 1.429 nan 8.370 nan 0.000 0.429 152 G N -0.660 108.210 108.800 0.117 0.000 2.184 152 G HA2 -0.374 3.586 3.960 0.001 0.000 0.264 152 G HA3 -0.374 3.586 3.960 0.001 0.000 0.264 152 G C 0.274 175.235 174.900 0.102 0.000 0.975 152 G CA 0.892 46.040 45.100 0.080 0.000 0.642 152 G HN 0.500 nan 8.290 nan 0.000 0.536 153 K N 0.328 120.791 120.400 0.104 0.000 2.164 153 K HA 0.477 4.798 4.320 0.001 0.000 0.258 153 K C 0.425 177.125 176.600 0.168 0.000 0.951 153 K CA -0.658 55.659 56.287 0.050 0.000 0.844 153 K CB 1.484 33.922 32.500 -0.104 0.000 1.099 153 K HN 0.299 nan 8.250 nan 0.000 0.435 154 Q N 2.292 122.195 119.800 0.172 0.000 2.300 154 Q HA 0.086 4.426 4.340 0.001 0.000 0.280 154 Q C -1.096 174.930 176.000 0.044 0.000 1.033 154 Q CA -0.001 55.922 55.803 0.201 0.000 0.903 154 Q CB 0.567 29.389 28.738 0.140 0.000 1.195 154 Q HN 0.283 nan 8.270 nan 0.000 0.386 155 V N 4.481 124.406 119.914 0.019 0.000 2.540 155 V HA 0.286 4.406 4.120 0.001 0.000 0.302 155 V C -0.983 175.080 176.094 -0.051 0.000 1.035 155 V CA -0.764 61.514 62.300 -0.037 0.000 0.873 155 V CB 1.981 33.793 31.823 -0.018 0.000 0.992 155 V HN 0.850 nan 8.190 nan 0.000 0.428 156 E N 3.038 123.159 120.200 -0.132 0.000 2.134 156 E HA 0.740 5.091 4.350 0.001 0.000 0.278 156 E C -0.234 176.344 176.600 -0.037 0.000 0.959 156 E CA -0.081 56.225 56.400 -0.157 0.000 0.783 156 E CB 1.835 31.212 29.700 -0.539 0.000 1.095 156 E HN 0.888 nan 8.360 nan 0.000 0.399 157 A N 3.908 126.773 122.820 0.075 0.000 2.435 157 A HA 0.770 5.090 4.320 0.001 0.000 0.296 157 A C -2.590 175.034 177.584 0.067 0.000 1.147 157 A CA -1.993 50.063 52.037 0.033 0.000 0.775 157 A CB 0.877 19.887 19.000 0.018 0.000 1.340 157 A HN 0.395 nan 8.150 nan 0.000 0.427 158 P HA 0.137 nan 4.420 nan 0.000 0.268 158 P C -0.967 176.405 177.300 0.120 0.000 1.204 158 P CA 0.319 63.395 63.100 -0.041 0.000 0.768 158 P CB 0.431 31.897 31.700 -0.390 0.000 0.842 159 D N 2.219 122.757 120.400 0.229 0.000 2.631 159 D HA 0.029 4.670 4.640 0.001 0.000 0.227 159 D C -0.527 175.971 176.300 0.330 0.000 1.146 159 D CA -0.157 53.968 54.000 0.208 0.000 1.009 159 D CB -0.698 40.172 40.800 0.118 0.000 1.057 159 D HN 0.128 nan 8.370 nan 0.000 0.509 160 D N 2.331 122.903 120.400 0.288 0.000 2.339 160 D HA -0.034 4.606 4.640 0.001 0.000 0.256 160 D C 0.580 176.864 176.300 -0.027 0.000 1.214 160 D CA -0.427 53.683 54.000 0.183 0.000 0.877 160 D CB 0.290 41.175 40.800 0.141 0.000 1.111 160 D HN 0.452 nan 8.370 nan 0.000 0.478 161 W N 4.663 125.830 121.300 -0.222 0.000 2.818 161 W HA 0.194 4.855 4.660 0.001 0.000 0.403 161 W C -0.495 175.975 176.519 -0.082 0.000 0.991 161 W CA -0.484 56.745 57.345 -0.194 0.000 1.925 161 W CB -1.230 28.179 29.460 -0.085 0.000 1.166 161 W HN 0.420 nan 8.180 nan 0.000 0.605 162 H N 0.987 119.943 119.070 -0.190 0.000 2.677 162 H HA -0.232 4.325 4.556 0.001 0.000 0.321 162 H C 1.795 176.823 175.328 -0.500 0.000 1.171 162 H CA 1.368 57.278 56.048 -0.230 0.000 1.139 162 H CB -1.738 28.034 29.762 0.017 0.000 1.515 162 H HN 0.392 nan 8.280 nan 0.000 0.423 163 R N 1.135 120.966 120.500 -1.115 0.000 2.159 163 R HA -0.234 4.107 4.340 0.001 0.000 0.249 163 R C 2.212 178.200 176.300 -0.520 0.000 1.136 163 R CA 2.694 57.973 56.100 -1.369 0.000 0.951 163 R CB -0.167 29.414 30.300 -1.199 0.000 0.876 163 R HN 0.478 nan 8.270 nan 0.000 0.440 164 S N -0.862 114.597 115.700 -0.402 0.000 2.515 164 S HA -0.003 4.468 4.470 0.001 0.000 0.231 164 S C 1.287 175.856 174.600 -0.052 0.000 0.987 164 S CA 0.808 58.827 58.200 -0.301 0.000 0.936 164 S CB 0.030 63.078 63.200 -0.254 0.000 0.766 164 S HN 0.413 nan 8.310 nan 0.000 0.528 165 N N -0.238 118.488 118.700 0.043 0.000 2.187 165 N HA 0.135 4.876 4.740 0.001 0.000 0.212 165 N C -0.902 174.740 175.510 0.219 0.000 1.152 165 N CA -0.213 52.907 53.050 0.117 0.000 0.872 165 N CB 0.318 38.845 38.487 0.068 0.000 1.025 165 N HN 0.467 nan 8.380 nan 0.000 0.514 166 Y N 4.054 124.477 120.300 0.205 0.000 2.650 166 Y HA 0.072 4.623 4.550 0.001 0.000 0.331 166 Y C -1.359 174.680 175.900 0.231 0.000 1.165 166 Y CA -1.121 57.157 58.100 0.298 0.000 1.473 166 Y CB 0.986 39.651 38.460 0.341 0.000 1.224 166 Y HN 0.104 nan 8.280 nan 0.000 0.533 167 P HA -0.100 nan 4.420 nan 0.000 0.231 167 P C 0.471 177.494 177.300 -0.461 0.000 1.168 167 P CA 1.203 64.013 63.100 -0.482 0.000 0.779 167 P CB 0.024 31.236 31.700 -0.814 0.000 0.844 168 W N -1.332 119.744 121.300 -0.372 0.000 3.180 168 W HA 0.179 4.840 4.660 0.001 0.000 0.254 168 W C 0.526 177.090 176.519 0.074 0.000 1.318 168 W CA -0.454 56.822 57.345 -0.116 0.000 1.608 168 W CB -0.535 28.891 29.460 -0.057 0.000 1.124 168 W HN -0.246 nan 8.180 nan 0.000 0.694 169 F N 1.484 121.663 119.950 0.382 0.000 2.471 169 F HA 0.271 4.799 4.527 0.001 0.000 0.353 169 F C 1.050 176.992 175.800 0.236 0.000 1.113 169 F CA -0.498 57.748 58.000 0.411 0.000 1.262 169 F CB 0.469 39.828 39.000 0.599 0.000 1.146 169 F HN -0.342 nan 8.300 nan 0.000 0.578 170 R N 1.356 122.117 120.500 0.435 0.000 2.637 170 R HA 0.345 4.685 4.340 0.001 0.000 0.291 170 R C -1.483 174.783 176.300 -0.058 0.000 0.963 170 R CA -1.030 55.153 56.100 0.139 0.000 0.901 170 R CB 1.858 32.198 30.300 0.067 0.000 1.160 170 R HN 0.587 nan 8.270 nan 0.000 0.457 171 H N 1.649 120.467 119.070 -0.420 0.000 2.970 171 H HA 0.220 4.776 4.556 0.001 0.000 0.315 171 H C -1.229 173.833 175.328 -0.444 0.000 0.992 171 H CA -0.797 54.797 56.048 -0.757 0.000 1.363 171 H CB 0.724 29.529 29.762 -1.594 0.000 1.532 171 H HN 0.372 nan 8.280 nan 0.000 0.514 172 N N 3.558 121.877 118.700 -0.635 0.000 2.437 172 N HA 0.026 4.767 4.740 0.001 0.000 0.243 172 N C 0.917 176.045 175.510 -0.637 0.000 1.041 172 N CA -0.134 52.593 53.050 -0.539 0.000 0.940 172 N CB 0.701 39.022 38.487 -0.276 0.000 1.133 172 N HN 0.913 nan 8.380 nan 0.000 0.506 173 E N 2.806 122.591 120.200 -0.692 0.000 2.204 173 E HA -0.177 4.174 4.350 0.001 0.000 0.195 173 E C 1.186 177.680 176.600 -0.175 0.000 0.990 173 E CA 1.224 57.376 56.400 -0.413 0.000 0.821 173 E CB -0.117 29.431 29.700 -0.252 0.000 0.750 173 E HN 0.508 nan 8.360 nan 0.000 0.477 174 A N 1.295 124.016 122.820 -0.165 0.000 2.172 174 A HA 0.007 4.328 4.320 0.001 0.000 0.216 174 A C 2.047 179.607 177.584 -0.041 0.000 1.154 174 A CA 0.624 52.609 52.037 -0.086 0.000 0.701 174 A CB -0.430 18.520 19.000 -0.084 0.000 0.789 174 A HN 0.314 nan 8.150 nan 0.000 0.465 175 L N -0.314 120.888 121.223 -0.036 0.000 2.591 175 L HA 0.054 4.395 4.340 0.001 0.000 0.228 175 L C -0.297 176.675 176.870 0.169 0.000 1.133 175 L CA -0.442 54.437 54.840 0.064 0.000 0.880 175 L CB -0.502 41.584 42.059 0.044 0.000 1.033 175 L HN 0.159 nan 8.230 nan 0.000 0.450 176 D N 0.814 121.287 120.400 0.123 0.000 2.548 176 D HA 0.075 4.716 4.640 0.001 0.000 0.231 176 D C -0.181 176.172 176.300 0.087 0.000 1.142 176 D CA 0.667 54.759 54.000 0.155 0.000 0.866 176 D CB 1.270 42.127 40.800 0.095 0.000 1.190 176 D HN -0.230 nan 8.370 nan 0.000 0.469 177 V N 3.118 123.057 119.914 0.042 0.000 2.588 177 V HA 0.184 4.305 4.120 0.001 0.000 0.304 177 V C -0.118 175.934 176.094 -0.071 0.000 1.042 177 V CA -0.983 61.270 62.300 -0.079 0.000 0.877 177 V CB 1.908 33.568 31.823 -0.270 0.000 0.996 177 V HN 0.315 nan 8.190 nan 0.000 0.425 178 Q N 3.053 122.809 119.800 -0.072 0.000 2.294 178 Q HA 0.495 4.836 4.340 0.001 0.000 0.257 178 Q C -0.767 175.194 176.000 -0.066 0.000 0.955 178 Q CA -0.213 55.547 55.803 -0.071 0.000 0.936 178 Q CB 2.096 30.786 28.738 -0.080 0.000 1.188 178 Q HN 0.555 nan 8.270 nan 0.000 0.420 179 V N 1.934 121.830 119.914 -0.030 0.000 2.409 179 V HA 0.510 4.631 4.120 0.001 0.000 0.291 179 V C 0.517 176.659 176.094 0.081 0.000 1.020 179 V CA -0.846 61.476 62.300 0.036 0.000 0.848 179 V CB 1.715 33.588 31.823 0.083 0.000 0.990 179 V HN 0.837 nan 8.190 nan 0.000 0.430 180 G N 3.895 112.750 108.800 0.092 0.000 2.476 180 G HA2 0.690 4.651 3.960 0.001 0.000 0.269 180 G HA3 0.690 4.651 3.960 0.001 0.000 0.269 180 G C -0.987 174.126 174.900 0.355 0.000 1.195 180 G CA -0.223 44.857 45.100 -0.034 0.000 0.843 180 G HN 0.579 nan 8.290 nan 0.000 0.545 181 I N -0.302 120.470 120.570 0.337 0.000 2.894 181 I HA 0.609 4.780 4.170 0.001 0.000 0.302 181 I C 0.770 177.131 176.117 0.406 0.000 1.188 181 I CA 0.611 62.191 61.300 0.466 0.000 1.014 181 I CB 2.147 40.406 38.000 0.430 0.000 1.242 181 I HN 1.133 nan 8.210 nan 0.000 0.430 182 G N 3.307 112.332 108.800 0.375 0.000 2.575 182 G HA2 0.232 4.193 3.960 0.001 0.000 0.267 182 G HA3 0.232 4.193 3.960 0.001 0.000 0.267 182 G C 0.578 175.711 174.900 0.387 0.000 1.264 182 G CA -0.078 45.202 45.100 0.299 0.000 0.935 182 G HN 2.053 nan 8.290 nan 0.000 0.568 183 G N -0.826 108.127 108.800 0.256 0.000 2.498 183 G HA2 0.299 4.260 3.960 0.001 0.000 0.245 183 G HA3 0.299 4.260 3.960 0.001 0.000 0.245 183 G C 0.058 175.105 174.900 0.246 0.000 1.204 183 G CA 1.763 47.001 45.100 0.229 0.000 0.933 183 G HN 2.464 nan 8.290 nan 0.000 0.574 184 K N -1.834 118.732 120.400 0.277 0.000 2.533 184 K HA 0.746 5.066 4.320 0.001 0.000 0.272 184 K C -1.084 175.685 176.600 0.282 0.000 0.985 184 K CA -1.054 55.363 56.287 0.217 0.000 0.876 184 K CB 2.198 34.779 32.500 0.135 0.000 1.452 184 K HN 0.833 nan 8.250 nan 0.000 0.439 185 V N 1.834 121.856 119.914 0.179 0.000 2.427 185 V HA 0.272 4.393 4.120 0.001 0.000 0.286 185 V C 0.532 176.693 176.094 0.113 0.000 1.034 185 V CA -0.559 61.840 62.300 0.163 0.000 0.893 185 V CB 1.210 33.087 31.823 0.090 0.000 0.982 185 V HN 1.018 nan 8.190 nan 0.000 0.452 186 T N 1.921 116.539 114.554 0.107 0.000 2.701 186 T HA 0.180 4.530 4.350 0.001 0.000 0.303 186 T C 1.092 175.827 174.700 0.059 0.000 1.030 186 T CA -0.489 61.655 62.100 0.074 0.000 1.010 186 T CB 0.573 69.480 68.868 0.066 0.000 1.007 186 T HN 0.505 nan 8.240 nan 0.000 0.532 187 K N 0.903 121.331 120.400 0.046 0.000 2.209 187 K HA -0.076 4.244 4.320 0.001 0.000 0.204 187 K C 1.424 178.046 176.600 0.037 0.000 1.048 187 K CA 1.311 57.620 56.287 0.037 0.000 0.940 187 K CB -0.522 31.996 32.500 0.030 0.000 0.729 187 K HN 0.874 nan 8.250 nan 0.000 0.451 188 D N -0.936 119.488 120.400 0.040 0.000 2.358 188 D HA 0.094 4.734 4.640 0.001 0.000 0.224 188 D C 0.787 177.116 176.300 0.048 0.000 1.123 188 D CA 0.358 54.382 54.000 0.039 0.000 0.833 188 D CB -0.088 40.733 40.800 0.035 0.000 0.946 188 D HN 0.174 nan 8.370 nan 0.000 0.505 189 G N 0.689 109.523 108.800 0.056 0.000 2.142 189 G HA2 -0.280 3.681 3.960 0.001 0.000 0.225 189 G HA3 -0.280 3.681 3.960 0.001 0.000 0.225 189 G C -0.078 174.875 174.900 0.088 0.000 1.015 189 G CA -0.484 44.655 45.100 0.065 0.000 0.716 189 G HN 0.417 nan 8.290 nan 0.000 0.508 190 R N -0.971 119.590 120.500 0.101 0.000 2.255 190 R HA 0.376 4.717 4.340 0.001 0.000 0.326 190 R C -0.261 176.170 176.300 0.219 0.000 0.986 190 R CA -0.913 55.267 56.100 0.132 0.000 0.847 190 R CB 0.898 31.253 30.300 0.091 0.000 1.111 190 R HN 0.195 nan 8.270 nan 0.000 0.452 191 W N 4.334 125.645 121.300 0.019 0.000 2.419 191 W HA 0.073 4.734 4.660 0.001 0.000 0.312 191 W C -0.634 175.905 176.519 0.033 0.000 1.323 191 W CA -0.757 56.603 57.345 0.025 0.000 1.293 191 W CB 0.484 29.955 29.460 0.019 0.000 1.324 191 W HN 0.502 nan 8.180 nan 0.000 0.512 192 E N 8.142 128.382 120.200 0.067 0.000 2.121 192 E HA 0.223 4.574 4.350 0.001 0.000 0.255 192 E C -2.160 174.295 176.600 -0.241 0.000 0.906 192 E CA -1.906 54.405 56.400 -0.149 0.000 0.745 192 E CB 0.805 30.497 29.700 -0.015 0.000 1.155 192 E HN 0.112 nan 8.360 nan 0.000 0.424 193 P HA -0.109 nan 4.420 nan 0.000 0.268 193 P C 0.500 177.762 177.300 -0.064 0.000 1.208 193 P CA 0.157 63.032 63.100 -0.375 0.000 0.777 193 P CB 0.696 32.057 31.700 -0.565 0.000 0.875 194 E N 2.069 122.324 120.200 0.092 0.000 2.400 194 E HA 0.004 4.355 4.350 0.001 0.000 0.195 194 E C -0.525 176.218 176.600 0.238 0.000 1.012 194 E CA 0.334 56.814 56.400 0.134 0.000 0.875 194 E CB 0.106 29.891 29.700 0.140 0.000 0.859 194 E HN 0.338 nan 8.360 nan 0.000 0.498 195 F N 0.571 120.548 119.950 0.044 0.000 2.608 195 F HA 0.398 4.926 4.527 0.001 0.000 0.309 195 F C -1.445 174.409 175.800 0.090 0.000 1.103 195 F CA -0.622 57.430 58.000 0.087 0.000 0.954 195 F CB 2.350 41.408 39.000 0.096 0.000 1.267 195 F HN -0.290 nan 8.300 nan 0.000 0.444 196 T N 6.639 120.926 114.554 -0.444 0.000 2.809 196 T HA 0.612 4.962 4.350 0.001 0.000 0.284 196 T C -0.501 173.889 174.700 -0.518 0.000 0.992 196 T CA -0.309 61.579 62.100 -0.354 0.000 0.957 196 T CB 1.028 69.755 68.868 -0.235 0.000 0.942 196 T HN 0.380 nan 8.240 nan 0.000 0.439 197 I N 2.379 122.796 120.570 -0.256 0.000 2.385 197 I HA 0.301 4.472 4.170 0.001 0.000 0.294 197 I C 0.586 176.654 176.117 -0.081 0.000 0.988 197 I CA -0.434 60.773 61.300 -0.156 0.000 1.265 197 I CB 1.566 39.570 38.000 0.006 0.000 1.388 197 I HN 0.470 nan 8.210 nan 0.000 0.480 198 T N 4.969 119.467 114.554 -0.093 0.000 2.738 198 T HA 0.361 4.711 4.350 0.001 0.000 0.298 198 T C 0.356 175.172 174.700 0.193 0.000 0.962 198 T CA -0.575 61.528 62.100 0.004 0.000 0.972 198 T CB 0.636 69.463 68.868 -0.069 0.000 0.928 198 T HN 0.785 nan 8.240 nan 0.000 0.474 199 G N 3.053 112.034 108.800 0.301 0.000 2.370 199 G HA2 0.432 4.392 3.960 0.001 0.000 0.272 199 G HA3 0.432 4.392 3.960 0.001 0.000 0.272 199 G C -0.505 174.670 174.900 0.458 0.000 1.208 199 G CA -0.541 44.852 45.100 0.489 0.000 0.856 199 G HN 0.629 nan 8.290 nan 0.000 0.500 200 Q N 0.395 120.515 119.800 0.534 0.000 2.293 200 Q HA 0.536 4.877 4.340 0.001 0.000 0.261 200 Q C -0.156 176.083 176.000 0.398 0.000 0.960 200 Q CA -0.702 55.356 55.803 0.425 0.000 0.882 200 Q CB 2.399 31.306 28.738 0.282 0.000 1.275 200 Q HN 0.656 nan 8.270 nan 0.000 0.445 201 A N 2.691 125.575 122.820 0.107 0.000 2.309 201 A HA 0.363 4.683 4.320 0.001 0.000 0.290 201 A C -1.431 175.981 177.584 -0.287 0.000 1.206 201 A CA -0.247 51.583 52.037 -0.344 0.000 0.850 201 A CB 0.044 18.747 19.000 -0.495 0.000 1.118 201 A HN 0.713 nan 8.150 nan 0.000 0.523 202 W N 2.301 123.444 121.300 -0.262 0.000 2.336 202 W HA 0.386 5.047 4.660 0.001 0.000 0.315 202 W C -0.968 175.568 176.519 0.028 0.000 1.016 202 W CA -0.294 56.903 57.345 -0.247 0.000 1.318 202 W CB 1.559 30.622 29.460 -0.662 0.000 1.247 202 W HN 0.573 nan 8.180 nan 0.000 0.414 203 D N 3.639 124.211 120.400 0.286 0.000 2.198 203 D HA 0.452 5.092 4.640 0.001 0.000 0.245 203 D C -0.339 176.197 176.300 0.393 0.000 1.079 203 D CA -0.269 53.869 54.000 0.229 0.000 0.854 203 D CB 1.737 42.571 40.800 0.055 0.000 1.148 203 D HN 0.164 nan 8.370 nan 0.000 0.456 204 L N 3.280 124.627 121.223 0.206 0.000 2.334 204 L HA 0.431 4.771 4.340 0.001 0.000 0.276 204 L C -2.286 174.597 176.870 0.022 0.000 1.014 204 L CA -1.947 52.954 54.840 0.102 0.000 0.815 204 L CB 2.321 44.362 42.059 -0.030 0.000 1.268 204 L HN 0.099 nan 8.230 nan 0.000 0.428 205 P HA 0.161 nan 4.420 nan 0.000 0.292 205 P C -0.829 176.395 177.300 -0.126 0.000 1.287 205 P CA -0.343 62.736 63.100 -0.034 0.000 0.800 205 P CB 1.635 33.345 31.700 0.017 0.000 0.945 206 V N 4.969 124.816 119.914 -0.112 0.000 2.348 206 V HA 0.132 4.253 4.120 0.001 0.000 0.270 206 V C 0.589 176.611 176.094 -0.120 0.000 1.037 206 V CA -0.562 61.663 62.300 -0.126 0.000 0.872 206 V CB 1.386 33.148 31.823 -0.102 0.000 1.002 206 V HN 0.285 nan 8.190 nan 0.000 0.464 207 V N 4.979 124.800 119.914 -0.154 0.000 2.383 207 V HA 0.538 4.658 4.120 0.001 0.000 0.275 207 V C 1.032 177.059 176.094 -0.111 0.000 1.036 207 V CA -0.198 62.009 62.300 -0.155 0.000 0.889 207 V CB 1.398 33.089 31.823 -0.221 0.000 0.985 207 V HN 0.935 nan 8.190 nan 0.000 0.459 208 G N 2.876 111.620 108.800 -0.093 0.000 2.539 208 G HA2 0.240 4.201 3.960 0.001 0.000 0.258 208 G HA3 0.240 4.201 3.960 0.001 0.000 0.258 208 G C -0.751 174.131 174.900 -0.030 0.000 1.202 208 G CA -0.290 44.781 45.100 -0.048 0.000 0.851 208 G HN 0.660 nan 8.290 nan 0.000 0.556 209 Y N 2.400 122.633 120.300 -0.112 0.000 2.637 209 Y HA 0.194 4.744 4.550 0.001 0.000 0.350 209 Y C 1.234 177.066 175.900 -0.112 0.000 1.069 209 Y CA -0.452 57.575 58.100 -0.121 0.000 1.397 209 Y CB 0.141 38.530 38.460 -0.118 0.000 1.163 209 Y HN 0.626 nan 8.280 nan 0.000 0.527 210 R N 3.114 123.282 120.500 -0.554 0.000 3.516 210 R HA -0.259 4.082 4.340 0.001 0.000 0.271 210 R C -0.239 175.900 176.300 -0.269 0.000 1.098 210 R CA 1.063 56.859 56.100 -0.505 0.000 0.732 210 R CB -2.508 27.324 30.300 -0.780 0.000 1.152 210 R HN 0.886 nan 8.270 nan 0.000 0.455 211 N N -2.121 116.467 118.700 -0.187 0.000 2.116 211 N HA 0.096 4.837 4.740 0.001 0.000 0.230 211 N C 0.958 176.394 175.510 -0.123 0.000 1.326 211 N CA 0.566 53.540 53.050 -0.126 0.000 0.867 211 N CB 0.423 38.855 38.487 -0.091 0.000 1.174 211 N HN 0.302 nan 8.380 nan 0.000 0.506 212 G N 0.190 108.910 108.800 -0.133 0.000 2.168 212 G HA2 -0.275 3.685 3.960 0.001 0.000 0.263 212 G HA3 -0.275 3.685 3.960 0.001 0.000 0.263 212 G C -0.237 174.575 174.900 -0.147 0.000 0.977 212 G CA 0.578 45.603 45.100 -0.124 0.000 0.659 212 G HN 0.324 nan 8.290 nan 0.000 0.533 213 V N 0.691 120.516 119.914 -0.148 0.000 2.583 213 V HA 0.657 4.778 4.120 0.001 0.000 0.287 213 V C 0.630 176.656 176.094 -0.112 0.000 1.051 213 V CA 0.525 62.733 62.300 -0.153 0.000 1.010 213 V CB 1.467 33.214 31.823 -0.126 0.000 0.988 213 V HN 1.416 nan 8.190 nan 0.000 0.478 214 A N 5.992 128.763 122.820 -0.082 0.000 2.442 214 A HA 0.754 5.074 4.320 0.001 0.000 0.284 214 A C -0.732 176.852 177.584 0.000 0.000 1.058 214 A CA -0.685 51.325 52.037 -0.044 0.000 0.738 214 A CB 1.388 20.375 19.000 -0.021 0.000 1.242 214 A HN 0.829 nan 8.150 nan 0.000 0.421 215 Q N 1.709 121.499 119.800 -0.017 0.000 2.456 215 Q HA 0.780 5.120 4.340 0.001 0.000 0.284 215 Q C -3.078 172.898 176.000 -0.040 0.000 1.061 215 Q CA -2.301 53.504 55.803 0.004 0.000 0.799 215 Q CB 2.642 31.391 28.738 0.018 0.000 1.445 215 Q HN 0.360 nan 8.270 nan 0.000 0.411 216 P HA 0.178 nan 4.420 nan 0.000 0.284 216 P C -1.141 176.050 177.300 -0.182 0.000 1.253 216 P CA -0.608 62.434 63.100 -0.097 0.000 0.800 216 P CB 0.656 32.296 31.700 -0.100 0.000 0.961 217 L N 3.725 124.830 121.223 -0.196 0.000 2.259 217 L HA 0.432 4.773 4.340 0.001 0.000 0.288 217 L C 0.143 176.854 176.870 -0.265 0.000 1.051 217 L CA -0.583 54.064 54.840 -0.322 0.000 0.824 217 L CB -0.065 41.775 42.059 -0.366 0.000 1.206 217 L HN 0.267 nan 8.230 nan 0.000 0.429 218 R N 5.395 125.677 120.500 -0.364 0.000 2.221 218 R HA 0.621 4.962 4.340 0.001 0.000 0.327 218 R C -1.554 174.502 176.300 -0.407 0.000 1.033 218 R CA -0.346 55.523 56.100 -0.384 0.000 0.887 218 R CB 0.478 30.469 30.300 -0.514 0.000 1.057 218 R HN 0.777 nan 8.270 nan 0.000 0.455 219 L N 5.575 126.621 121.223 -0.295 0.000 2.325 219 L HA 0.452 4.793 4.340 0.001 0.000 0.281 219 L C -0.847 175.927 176.870 -0.160 0.000 1.004 219 L CA -0.829 53.928 54.840 -0.139 0.000 0.823 219 L CB 1.429 43.538 42.059 0.083 0.000 1.236 219 L HN 0.618 nan 8.230 nan 0.000 0.415 220 W N 2.784 124.170 121.300 0.144 0.000 2.272 220 W HA 0.441 5.102 4.660 0.001 0.000 0.318 220 W C 0.272 176.950 176.519 0.265 0.000 1.255 220 W CA -0.105 57.348 57.345 0.180 0.000 1.200 220 W CB 0.837 30.282 29.460 -0.026 0.000 1.170 220 W HN 0.416 nan 8.180 nan 0.000 0.549 221 Q N 2.356 122.478 119.800 0.536 0.000 2.353 221 Q HA 0.686 5.027 4.340 0.001 0.000 0.268 221 Q C -0.894 175.311 176.000 0.341 0.000 1.045 221 Q CA -0.759 55.219 55.803 0.293 0.000 0.811 221 Q CB 1.715 30.460 28.738 0.012 0.000 1.305 221 Q HN 0.594 nan 8.270 nan 0.000 0.447 222 A N 2.515 125.355 122.820 0.033 0.000 2.301 222 A HA 0.718 5.039 4.320 0.001 0.000 0.298 222 A C -0.305 177.248 177.584 -0.053 0.000 1.185 222 A CA 0.007 51.916 52.037 -0.214 0.000 0.830 222 A CB 0.825 19.410 19.000 -0.692 0.000 1.112 222 A HN 0.806 nan 8.150 nan 0.000 0.508 223 T N -0.706 113.851 114.554 0.005 0.000 2.812 223 T HA 0.601 4.951 4.350 0.001 0.000 0.294 223 T C -0.912 173.813 174.700 0.041 0.000 1.159 223 T CA -0.650 61.473 62.100 0.039 0.000 1.008 223 T CB 1.484 70.382 68.868 0.050 0.000 1.289 223 T HN 0.715 nan 8.240 nan 0.000 0.514 224 H N -0.639 118.429 119.070 -0.004 0.000 2.572 224 H HA 0.651 5.207 4.556 0.001 0.000 0.359 224 H C 0.954 176.249 175.328 -0.055 0.000 1.134 224 H CA -0.093 55.936 56.048 -0.032 0.000 1.187 224 H CB 2.245 32.020 29.762 0.022 0.000 1.597 224 H HN 0.883 nan 8.280 nan 0.000 0.524 225 A N 3.505 126.085 122.820 -0.400 0.000 2.015 225 A HA -0.091 4.229 4.320 0.001 0.000 0.219 225 A C 0.392 177.711 177.584 -0.442 0.000 1.163 225 A CA 1.035 52.857 52.037 -0.359 0.000 0.646 225 A CB 0.027 18.777 19.000 -0.415 0.000 0.806 225 A HN 0.671 nan 8.150 nan 0.000 0.448 226 H N -1.167 118.122 119.070 0.366 0.000 2.380 226 H HA 0.202 4.758 4.556 0.001 0.000 0.231 226 H C -2.180 173.307 175.328 0.266 0.000 1.415 226 H CA -1.276 54.943 56.048 0.285 0.000 1.433 226 H CB 0.744 30.640 29.762 0.224 0.000 1.544 226 H HN 0.365 nan 8.280 nan 0.000 0.503 227 P HA -0.056 nan 4.420 nan 0.000 0.231 227 P C 0.192 177.644 177.300 0.254 0.000 1.168 227 P CA 0.486 63.724 63.100 0.230 0.000 0.779 227 P CB 0.519 32.339 31.700 0.200 0.000 0.844 228 F N 1.069 121.078 119.950 0.098 0.000 2.507 228 F HA 0.469 4.997 4.527 0.001 0.000 0.325 228 F C -0.627 175.226 175.800 0.088 0.000 1.116 228 F CA -1.220 56.827 58.000 0.079 0.000 0.930 228 F CB 1.458 40.481 39.000 0.037 0.000 1.146 228 F HN -0.352 nan 8.300 nan 0.000 0.447 229 D N 6.286 126.380 120.400 -0.510 0.000 2.427 229 D HA 0.105 4.746 4.640 0.001 0.000 0.226 229 D C 0.575 176.567 176.300 -0.513 0.000 1.076 229 D CA -0.239 53.557 54.000 -0.341 0.000 0.849 229 D CB 1.554 42.243 40.800 -0.186 0.000 1.052 229 D HN 0.709 nan 8.370 nan 0.000 0.515 230 L N 4.120 125.221 121.223 -0.204 0.000 2.217 230 L HA -0.045 4.296 4.340 0.001 0.000 0.211 230 L C 1.830 178.726 176.870 0.042 0.000 1.107 230 L CA 1.678 56.516 54.840 -0.003 0.000 0.783 230 L CB -0.441 41.717 42.059 0.164 0.000 0.919 230 L HN 0.356 nan 8.230 nan 0.000 0.442 231 T N -0.279 114.269 114.554 -0.009 0.000 2.643 231 T HA -0.191 4.160 4.350 0.001 0.000 0.264 231 T C 1.849 176.534 174.700 -0.024 0.000 1.045 231 T CA 1.809 63.907 62.100 -0.002 0.000 1.155 231 T CB -0.142 68.716 68.868 -0.018 0.000 0.863 231 T HN 0.323 nan 8.240 nan 0.000 0.420 232 K N 0.208 120.566 120.400 -0.070 0.000 2.074 232 K HA -0.117 4.204 4.320 0.001 0.000 0.209 232 K C 2.018 178.561 176.600 -0.095 0.000 1.048 232 K CA 1.432 57.661 56.287 -0.098 0.000 0.926 232 K CB -0.392 32.040 32.500 -0.112 0.000 0.713 232 K HN 0.242 nan 8.250 nan 0.000 0.444 233 F N 2.339 122.194 119.950 -0.159 0.000 2.102 233 F HA -0.161 4.366 4.527 0.001 0.000 0.298 233 F C 1.759 177.597 175.800 0.063 0.000 1.105 233 F CA 1.387 59.392 58.000 0.009 0.000 1.239 233 F CB -0.062 39.018 39.000 0.134 0.000 0.991 233 F HN 0.025 nan 8.300 nan 0.000 0.474 234 N N 0.240 119.049 118.700 0.181 0.000 2.515 234 N HA -0.096 4.644 4.740 0.001 0.000 0.185 234 N C 0.560 176.054 175.510 -0.026 0.000 1.109 234 N CA 0.824 53.945 53.050 0.118 0.000 0.903 234 N CB -0.387 38.187 38.487 0.145 0.000 0.969 234 N HN 0.353 nan 8.380 nan 0.000 0.450 235 D N -0.593 119.739 120.400 -0.113 0.000 2.328 235 D HA 0.158 4.798 4.640 0.001 0.000 0.221 235 D C 1.268 177.388 176.300 -0.301 0.000 1.072 235 D CA 0.176 54.082 54.000 -0.158 0.000 0.850 235 D CB 0.065 40.784 40.800 -0.134 0.000 0.922 235 D HN 0.268 nan 8.370 nan 0.000 0.516 236 G N 1.354 109.831 108.800 -0.539 0.000 2.176 236 G HA2 -0.274 3.687 3.960 0.001 0.000 0.253 236 G HA3 -0.274 3.687 3.960 0.001 0.000 0.253 236 G C 0.031 174.181 174.900 -1.250 0.000 0.979 236 G CA -0.204 44.269 45.100 -1.045 0.000 0.641 236 G HN 0.272 nan 8.290 nan 0.000 0.530 237 D N 0.461 120.405 120.400 -0.761 0.000 2.619 237 D HA 0.521 5.162 4.640 0.001 0.000 0.224 237 D C 1.339 177.416 176.300 -0.371 0.000 1.133 237 D CA -0.465 53.248 54.000 -0.478 0.000 1.017 237 D CB -0.305 40.350 40.800 -0.243 0.000 1.077 237 D HN 0.186 nan 8.370 nan 0.000 0.503 238 F N 0.403 120.269 119.950 -0.140 0.000 2.234 238 F HA -0.050 4.477 4.527 0.001 0.000 0.299 238 F C 1.916 177.782 175.800 0.110 0.000 1.087 238 F CA 0.246 58.206 58.000 -0.066 0.000 1.340 238 F CB -0.454 38.476 39.000 -0.117 0.000 1.031 238 F HN 0.289 nan 8.300 nan 0.000 0.500 239 L N 0.505 121.843 121.223 0.192 0.000 2.049 239 L HA -0.017 4.324 4.340 0.001 0.000 0.203 239 L C 2.395 179.325 176.870 0.101 0.000 1.074 239 L CA 1.625 56.557 54.840 0.153 0.000 0.749 239 L CB -0.603 41.516 42.059 0.100 0.000 0.907 239 L HN -0.076 nan 8.230 nan 0.000 0.439 240 R N -0.239 120.281 120.500 0.033 0.000 2.193 240 R HA -0.078 4.262 4.340 0.001 0.000 0.229 240 R C 2.090 178.387 176.300 -0.005 0.000 1.110 240 R CA 0.903 57.004 56.100 0.002 0.000 0.988 240 R CB -0.580 29.699 30.300 -0.035 0.000 0.871 240 R HN 0.539 nan 8.270 nan 0.000 0.458 241 A N 1.228 124.052 122.820 0.007 0.000 2.070 241 A HA -0.140 4.180 4.320 0.001 0.000 0.220 241 A C 1.512 179.062 177.584 -0.057 0.000 1.159 241 A CA 1.197 53.175 52.037 -0.099 0.000 0.656 241 A CB -0.020 18.949 19.000 -0.052 0.000 0.800 241 A HN 0.180 nan 8.150 nan 0.000 0.453 242 E N -0.873 119.395 120.200 0.114 0.000 2.474 242 E HA -0.046 4.304 4.350 0.001 0.000 0.195 242 E C 1.712 178.376 176.600 0.107 0.000 1.039 242 E CA 0.383 56.889 56.400 0.177 0.000 0.881 242 E CB -0.018 29.815 29.700 0.221 0.000 0.970 242 E HN 0.822 nan 8.360 nan 0.000 0.486 243 Q N 1.601 121.433 119.800 0.052 0.000 2.112 243 Q HA -0.261 4.080 4.340 0.001 0.000 0.206 243 Q C 2.189 178.205 176.000 0.026 0.000 0.987 243 Q CA 2.100 57.919 55.803 0.026 0.000 0.858 243 Q CB 0.004 28.737 28.738 -0.008 0.000 0.905 243 Q HN 0.271 nan 8.270 nan 0.000 0.420 244 Q N -1.268 118.547 119.800 0.025 0.000 2.079 244 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 244 Q C 1.922 177.976 176.000 0.089 0.000 0.974 244 Q CA 1.473 57.286 55.803 0.016 0.000 0.840 244 Q CB -0.440 28.261 28.738 -0.062 0.000 0.898 244 Q HN 0.511 nan 8.270 nan 0.000 0.430 245 G N 0.867 109.737 108.800 0.116 0.000 2.421 245 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 245 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 245 G C 1.326 176.310 174.900 0.140 0.000 1.171 245 G CA 0.977 46.173 45.100 0.160 0.000 0.775 245 G HN 0.362 nan 8.290 nan 0.000 0.543 246 I N 1.325 121.961 120.570 0.110 0.000 2.286 246 I HA -0.171 3.999 4.170 0.001 0.000 0.248 246 I C 2.417 178.583 176.117 0.081 0.000 1.115 246 I CA 0.887 62.241 61.300 0.089 0.000 1.392 246 I CB -0.157 37.888 38.000 0.075 0.000 1.065 246 I HN 0.047 nan 8.210 nan 0.000 0.418 247 N N 0.783 119.526 118.700 0.071 0.000 2.149 247 N HA -0.157 4.584 4.740 0.001 0.000 0.188 247 N C 1.860 177.472 175.510 0.170 0.000 1.019 247 N CA 1.634 54.699 53.050 0.025 0.000 0.857 247 N CB -0.440 37.915 38.487 -0.220 0.000 0.997 247 N HN 0.423 nan 8.380 nan 0.000 0.426 248 A N 1.154 124.164 122.820 0.318 0.000 1.854 248 A HA -0.050 4.271 4.320 0.001 0.000 0.214 248 A C 2.025 179.639 177.584 0.050 0.000 1.192 248 A CA 1.101 53.292 52.037 0.257 0.000 0.611 248 A CB -0.489 18.666 19.000 0.257 0.000 0.832 248 A HN 0.262 nan 8.150 nan 0.000 0.442 249 E N 0.129 120.363 120.200 0.058 0.000 2.338 249 E HA -0.173 4.178 4.350 0.001 0.000 0.197 249 E C 1.885 178.496 176.600 0.019 0.000 1.007 249 E CA 1.060 57.467 56.400 0.012 0.000 0.849 249 E CB -0.099 29.626 29.700 0.041 0.000 0.774 249 E HN 0.793 nan 8.360 nan 0.000 0.506 250 K N 0.987 121.414 120.400 0.043 0.000 2.209 250 K HA -0.145 4.176 4.320 0.001 0.000 0.204 250 K C 1.851 178.488 176.600 0.061 0.000 1.048 250 K CA 1.019 57.344 56.287 0.064 0.000 0.940 250 K CB -0.267 32.271 32.500 0.062 0.000 0.729 250 K HN 0.167 nan 8.250 nan 0.000 0.451 251 L N 1.807 123.029 121.223 -0.000 0.000 2.191 251 L HA -0.080 4.261 4.340 0.001 0.000 0.212 251 L C 1.512 178.419 176.870 0.062 0.000 1.103 251 L CA 1.580 56.418 54.840 -0.004 0.000 0.769 251 L CB -0.699 41.250 42.059 -0.185 0.000 0.908 251 L HN 0.454 nan 8.230 nan 0.000 0.438 252 T N -5.340 109.233 114.554 0.032 0.000 3.331 252 T HA 0.210 4.560 4.350 0.001 0.000 0.282 252 T C 1.173 175.964 174.700 0.152 0.000 1.010 252 T CA -0.610 61.538 62.100 0.081 0.000 0.928 252 T CB 0.425 69.281 68.868 -0.021 0.000 1.154 252 T HN -0.015 nan 8.240 nan 0.000 0.516 253 K N 0.976 121.497 120.400 0.202 0.000 2.044 253 K HA 0.245 4.566 4.320 0.001 0.000 0.204 253 K C 0.548 177.355 176.600 0.345 0.000 1.045 253 K CA 0.670 57.111 56.287 0.257 0.000 0.951 253 K CB 0.192 32.855 32.500 0.271 0.000 0.738 253 K HN 0.329 nan 8.250 nan 0.000 0.443 254 V N 1.857 121.952 119.914 0.301 0.000 2.808 254 V HA 0.182 4.303 4.120 0.001 0.000 0.308 254 V C -1.057 175.011 176.094 -0.042 0.000 1.099 254 V CA -1.196 61.201 62.300 0.162 0.000 0.920 254 V CB 2.168 34.080 31.823 0.149 0.000 1.014 254 V HN 0.070 nan 8.190 nan 0.000 0.425 255 L N 6.128 127.081 121.223 -0.449 0.000 2.319 255 L HA 0.544 4.885 4.340 0.001 0.000 0.280 255 L C -0.461 176.242 176.870 -0.278 0.000 1.099 255 L CA 0.287 54.601 54.840 -0.876 0.000 0.828 255 L CB -0.586 40.806 42.059 -1.110 0.000 1.150 255 L HN 0.702 nan 8.230 nan 0.000 0.442 256 Y N 3.927 124.162 120.300 -0.107 0.000 3.057 256 Y HA -0.176 4.375 4.550 0.001 0.000 0.192 256 Y C -1.999 173.919 175.900 0.032 0.000 1.448 256 Y CA -0.045 58.050 58.100 -0.009 0.000 1.065 256 Y CB -2.461 35.992 38.460 -0.011 0.000 1.369 256 Y HN 0.551 nan 8.280 nan 0.000 0.460 257 P HA 0.008 nan 4.420 nan 0.000 0.272 257 P C 0.562 177.933 177.300 0.118 0.000 1.223 257 P CA -0.214 62.963 63.100 0.128 0.000 0.784 257 P CB 0.745 32.515 31.700 0.116 0.000 0.923 258 N N 2.470 121.219 118.700 0.081 0.000 2.315 258 N HA -0.113 4.628 4.740 0.001 0.000 0.270 258 N C 0.266 175.817 175.510 0.069 0.000 1.329 258 N CA 0.533 53.617 53.050 0.057 0.000 0.860 258 N CB 0.036 38.541 38.487 0.030 0.000 1.095 258 N HN 0.396 nan 8.380 nan 0.000 0.487 259 D N 1.750 122.191 120.400 0.068 0.000 2.501 259 D HA 0.036 4.676 4.640 0.001 0.000 0.226 259 D C 0.309 176.645 176.300 0.059 0.000 1.198 259 D CA -0.136 53.909 54.000 0.076 0.000 0.830 259 D CB -0.879 39.982 40.800 0.101 0.000 1.014 259 D HN 0.471 nan 8.370 nan 0.000 0.496 260 N N 0.056 118.786 118.700 0.050 0.000 2.453 260 N HA 0.031 4.771 4.740 0.001 0.000 0.183 260 N C 0.566 176.124 175.510 0.081 0.000 1.041 260 N CA 0.535 53.617 53.050 0.054 0.000 0.900 260 N CB 0.237 38.752 38.487 0.047 0.000 0.961 260 N HN 0.246 nan 8.380 nan 0.000 0.443 261 A N -0.340 122.536 122.820 0.094 0.000 2.354 261 A HA 0.346 4.667 4.320 0.001 0.000 0.321 261 A C 0.339 178.025 177.584 0.169 0.000 1.125 261 A CA -0.666 51.449 52.037 0.131 0.000 0.799 261 A CB 0.563 19.631 19.000 0.113 0.000 1.293 261 A HN 0.136 nan 8.150 nan 0.000 0.452 262 F N 0.404 120.391 119.950 0.063 0.000 2.161 262 F HA -0.160 4.367 4.527 0.001 0.000 0.300 262 F C 2.009 177.859 175.800 0.083 0.000 1.089 262 F CA 2.486 60.531 58.000 0.075 0.000 1.282 262 F CB 0.286 39.322 39.000 0.060 0.000 1.010 262 F HN 0.686 nan 8.300 nan 0.000 0.485 263 E N -0.180 120.092 120.200 0.121 0.000 2.158 263 E HA -0.053 4.298 4.350 0.001 0.000 0.191 263 E C 2.534 179.134 176.600 -0.000 0.000 0.982 263 E CA 0.864 57.284 56.400 0.033 0.000 0.823 263 E CB -0.855 28.902 29.700 0.096 0.000 0.766 263 E HN 0.518 nan 8.360 nan 0.000 0.468 264 G N 1.557 110.379 108.800 0.037 0.000 2.450 264 G HA2 -0.289 3.671 3.960 0.001 0.000 0.220 264 G HA3 -0.289 3.671 3.960 0.001 0.000 0.220 264 G C 1.726 176.662 174.900 0.059 0.000 1.130 264 G CA 0.853 45.987 45.100 0.056 0.000 0.760 264 G HN 0.199 nan 8.290 nan 0.000 0.557 265 K N -0.108 120.299 120.400 0.013 0.000 2.044 265 K HA 0.096 4.417 4.320 0.001 0.000 0.204 265 K C 2.455 179.064 176.600 0.014 0.000 1.049 265 K CA 0.995 57.333 56.287 0.085 0.000 0.945 265 K CB -0.106 32.404 32.500 0.016 0.000 0.724 265 K HN 0.168 nan 8.250 nan 0.000 0.440 266 K N 0.730 121.000 120.400 -0.217 0.000 2.063 266 K HA -0.177 4.144 4.320 0.001 0.000 0.208 266 K C 2.017 178.557 176.600 -0.100 0.000 1.048 266 K CA 1.223 57.362 56.287 -0.245 0.000 0.928 266 K CB -0.109 32.215 32.500 -0.294 0.000 0.713 266 K HN 0.021 nan 8.250 nan 0.000 0.442 267 L N 1.099 122.309 121.223 -0.022 0.000 2.093 267 L HA -0.108 4.233 4.340 0.001 0.000 0.208 267 L C 1.970 178.884 176.870 0.073 0.000 1.085 267 L CA 1.526 56.386 54.840 0.034 0.000 0.755 267 L CB -0.240 41.854 42.059 0.058 0.000 0.904 267 L HN 0.071 nan 8.230 nan 0.000 0.435 268 R N -0.860 119.707 120.500 0.112 0.000 2.075 268 R HA -0.110 4.230 4.340 0.001 0.000 0.232 268 R C 2.188 178.553 176.300 0.109 0.000 1.126 268 R CA 1.519 57.737 56.100 0.197 0.000 0.963 268 R CB -0.678 29.828 30.300 0.342 0.000 0.858 268 R HN 0.339 nan 8.270 nan 0.000 0.435 269 L N 0.885 122.022 121.223 -0.144 0.000 2.083 269 L HA -0.108 4.233 4.340 0.001 0.000 0.209 269 L C 2.104 178.896 176.870 -0.129 0.000 1.083 269 L CA 1.636 56.223 54.840 -0.422 0.000 0.752 269 L CB -0.204 41.270 42.059 -0.974 0.000 0.899 269 L HN 0.143 nan 8.230 nan 0.000 0.433 270 M N -1.527 118.054 119.600 -0.032 0.000 2.175 270 M HA -0.216 4.265 4.480 0.001 0.000 0.264 270 M C 2.245 178.650 176.300 0.176 0.000 1.063 270 M CA 1.611 56.970 55.300 0.097 0.000 1.119 270 M CB -0.411 32.242 32.600 0.088 0.000 1.377 270 M HN 0.354 nan 8.290 nan 0.000 0.415 271 Q N 0.168 120.063 119.800 0.159 0.000 2.050 271 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 271 Q C 2.078 178.224 176.000 0.242 0.000 0.980 271 Q CA 1.546 57.484 55.803 0.225 0.000 0.840 271 Q CB -0.250 28.628 28.738 0.232 0.000 0.898 271 Q HN 0.601 nan 8.270 nan 0.000 0.424 272 Q N -0.416 119.500 119.800 0.193 0.000 2.061 272 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 272 Q C 1.935 178.008 176.000 0.122 0.000 0.984 272 Q CA 1.669 57.576 55.803 0.173 0.000 0.846 272 Q CB -0.264 28.578 28.738 0.174 0.000 0.902 272 Q HN 0.380 nan 8.270 nan 0.000 0.421 273 Y N 0.399 120.691 120.300 -0.014 0.000 2.181 273 Y HA -0.273 4.277 4.550 0.001 0.000 0.288 273 Y C 1.926 177.828 175.900 0.002 0.000 1.146 273 Y CA 1.435 59.497 58.100 -0.063 0.000 1.164 273 Y CB -0.535 37.854 38.460 -0.118 0.000 0.982 273 Y HN 0.159 nan 8.280 nan 0.000 0.515 274 F N 1.117 120.923 119.950 -0.240 0.000 2.134 274 F HA -0.227 4.301 4.527 0.001 0.000 0.299 274 F C 2.555 178.152 175.800 -0.338 0.000 1.097 274 F CA 2.330 60.140 58.000 -0.316 0.000 1.264 274 F CB -0.890 38.057 39.000 -0.089 0.000 1.001 274 F HN 0.210 nan 8.300 nan 0.000 0.479 275 Q N -0.257 119.408 119.800 -0.225 0.000 2.061 275 Q HA -0.247 4.093 4.340 0.001 0.000 0.204 275 Q C 2.364 178.124 176.000 -0.401 0.000 0.984 275 Q CA 2.584 58.220 55.803 -0.278 0.000 0.846 275 Q CB -0.579 28.203 28.738 0.074 0.000 0.902 275 Q HN 0.576 nan 8.270 nan 0.000 0.421 276 C N -0.162 118.961 119.300 -0.294 0.000 2.440 276 C HA -0.009 4.451 4.460 0.001 0.000 0.278 276 C C 2.791 177.544 174.990 -0.395 0.000 1.295 276 C CA 0.670 59.536 59.018 -0.253 0.000 1.738 276 C CB -1.210 26.468 27.740 -0.104 0.000 1.987 276 C HN 0.692 nan 8.230 nan 0.000 0.492 277 A N -0.704 121.744 122.820 -0.619 0.000 1.897 277 A HA -0.146 4.175 4.320 0.001 0.000 0.215 277 A C 2.129 179.332 177.584 -0.634 0.000 1.181 277 A CA 1.948 53.637 52.037 -0.579 0.000 0.620 277 A CB -1.026 17.494 19.000 -0.799 0.000 0.821 277 A HN 0.649 nan 8.150 nan 0.000 0.443 278 C N -0.278 118.412 119.300 -1.017 0.000 2.413 278 C HA -0.082 4.379 4.460 0.001 0.000 0.276 278 C C 3.256 177.605 174.990 -1.070 0.000 1.236 278 C CA 1.387 59.549 59.018 -1.427 0.000 1.735 278 C CB -1.286 24.823 27.740 -2.717 0.000 2.031 278 C HN 0.620 nan 8.230 nan 0.000 0.474 279 S N 0.763 115.956 115.700 -0.845 0.000 2.355 279 S HA -0.127 4.343 4.470 0.001 0.000 0.222 279 S C 1.923 176.233 174.600 -0.483 0.000 1.031 279 S CA 1.361 59.168 58.200 -0.655 0.000 0.993 279 S CB -0.503 62.293 63.200 -0.673 0.000 0.859 279 S HN 0.467 nan 8.310 nan 0.000 0.453 280 V N 2.256 121.970 119.914 -0.334 0.000 2.332 280 V HA -0.252 3.869 4.120 0.001 0.000 0.248 280 V C 2.692 178.694 176.094 -0.152 0.000 1.055 280 V CA 1.789 63.980 62.300 -0.182 0.000 1.038 280 V CB -1.221 30.550 31.823 -0.087 0.000 0.651 280 V HN 0.557 nan 8.190 nan 0.000 0.450 281 A N -0.185 122.517 122.820 -0.196 0.000 1.902 281 A HA -0.295 4.025 4.320 0.001 0.000 0.217 281 A C 2.055 179.606 177.584 -0.055 0.000 1.181 281 A CA 2.203 54.165 52.037 -0.125 0.000 0.623 281 A CB -0.682 18.213 19.000 -0.176 0.000 0.818 281 A HN 0.603 nan 8.150 nan 0.000 0.443 282 D N -0.371 120.007 120.400 -0.036 0.000 2.117 282 D HA -0.091 4.550 4.640 0.001 0.000 0.198 282 D C 1.706 178.072 176.300 0.111 0.000 0.982 282 D CA 1.276 55.360 54.000 0.140 0.000 0.828 282 D CB -0.189 40.873 40.800 0.437 0.000 0.967 282 D HN 0.483 nan 8.370 nan 0.000 0.464 283 I N 0.026 120.616 120.570 0.034 0.000 2.202 283 I HA -0.223 3.948 4.170 0.001 0.000 0.242 283 I C 2.332 178.459 176.117 0.017 0.000 1.091 283 I CA 0.671 61.992 61.300 0.035 0.000 1.368 283 I CB -0.226 37.755 38.000 -0.031 0.000 1.058 283 I HN 0.095 nan 8.210 nan 0.000 0.410 284 L N 0.255 121.471 121.223 -0.012 0.000 2.079 284 L HA -0.237 4.104 4.340 0.001 0.000 0.210 284 L C 2.773 179.694 176.870 0.084 0.000 1.081 284 L CA 1.424 56.274 54.840 0.016 0.000 0.752 284 L CB -0.651 41.401 42.059 -0.010 0.000 0.896 284 L HN 0.258 nan 8.230 nan 0.000 0.433 285 R N 0.512 121.051 120.500 0.064 0.000 2.075 285 R HA -0.188 4.152 4.340 0.001 0.000 0.232 285 R C 2.543 178.896 176.300 0.088 0.000 1.126 285 R CA 1.503 57.651 56.100 0.080 0.000 0.963 285 R CB -0.166 30.168 30.300 0.057 0.000 0.858 285 R HN 0.226 nan 8.270 nan 0.000 0.435 286 R N -0.752 119.785 120.500 0.061 0.000 2.075 286 R HA -0.202 4.138 4.340 0.001 0.000 0.232 286 R C 2.140 178.442 176.300 0.004 0.000 1.126 286 R CA 2.001 58.107 56.100 0.010 0.000 0.963 286 R CB -0.487 29.800 30.300 -0.021 0.000 0.858 286 R HN 0.357 nan 8.270 nan 0.000 0.435 287 H N 0.081 119.108 119.070 -0.072 0.000 2.289 287 H HA -0.220 4.337 4.556 0.001 0.000 0.296 287 H C 2.131 177.409 175.328 -0.083 0.000 1.091 287 H CA 2.474 58.459 56.048 -0.106 0.000 1.274 287 H CB -0.433 29.278 29.762 -0.085 0.000 1.364 287 H HN 0.339 nan 8.280 nan 0.000 0.490 288 H N -0.118 118.927 119.070 -0.042 0.000 2.290 288 H HA -0.126 4.430 4.556 0.001 0.000 0.298 288 H C 2.137 177.388 175.328 -0.129 0.000 1.087 288 H CA 1.566 57.558 56.048 -0.094 0.000 1.291 288 H CB -0.134 29.617 29.762 -0.019 0.000 1.369 288 H HN 0.290 nan 8.280 nan 0.000 0.492 289 L N 0.892 122.054 121.223 -0.102 0.000 2.187 289 L HA -0.119 4.222 4.340 0.001 0.000 0.213 289 L C 2.687 179.430 176.870 -0.211 0.000 1.100 289 L CA 1.378 56.123 54.840 -0.157 0.000 0.765 289 L CB -1.444 40.575 42.059 -0.067 0.000 0.904 289 L HN 0.330 nan 8.230 nan 0.000 0.437 290 A N -1.069 121.610 122.820 -0.237 0.000 2.206 290 A HA 0.251 4.571 4.320 0.001 0.000 0.211 290 A C 1.726 179.124 177.584 -0.309 0.000 1.158 290 A CA 0.931 52.810 52.037 -0.263 0.000 0.761 290 A CB -0.369 18.454 19.000 -0.294 0.000 0.801 290 A HN 0.546 nan 8.150 nan 0.000 0.473 291 G N -1.110 107.480 108.800 -0.350 0.000 2.131 291 G HA2 -0.225 3.736 3.960 0.001 0.000 0.223 291 G HA3 -0.225 3.736 3.960 0.001 0.000 0.223 291 G C 0.197 174.876 174.900 -0.368 0.000 0.990 291 G CA 0.203 45.104 45.100 -0.331 0.000 0.671 291 G HN 0.633 nan 8.290 nan 0.000 0.521 292 R N -0.263 119.922 120.500 -0.526 0.000 2.573 292 R HA 0.627 4.968 4.340 0.001 0.000 0.272 292 R C -0.060 175.923 176.300 -0.527 0.000 1.009 292 R CA -0.813 54.887 56.100 -0.667 0.000 1.059 292 R CB 0.695 30.271 30.300 -1.207 0.000 1.112 292 R HN -0.058 nan 8.270 nan 0.000 0.517 293 K N 1.605 121.795 120.400 -0.349 0.000 2.118 293 K HA 0.117 4.437 4.320 0.001 0.000 0.267 293 K C 0.896 177.471 176.600 -0.042 0.000 0.991 293 K CA -0.639 55.541 56.287 -0.178 0.000 0.916 293 K CB 0.834 33.196 32.500 -0.230 0.000 1.041 293 K HN 0.291 nan 8.250 nan 0.000 0.455 294 L N 2.841 124.072 121.223 0.013 0.000 2.079 294 L HA -0.193 4.148 4.340 0.001 0.000 0.210 294 L C 2.290 179.140 176.870 -0.033 0.000 1.081 294 L CA 1.903 56.748 54.840 0.009 0.000 0.752 294 L CB -0.837 41.174 42.059 -0.079 0.000 0.896 294 L HN 0.789 nan 8.230 nan 0.000 0.433 295 H N -0.472 118.631 119.070 0.056 0.000 2.491 295 H HA -0.079 4.478 4.556 0.001 0.000 0.290 295 H C 1.029 176.392 175.328 0.058 0.000 1.050 295 H CA 1.228 57.297 56.048 0.035 0.000 1.309 295 H CB -0.321 29.462 29.762 0.035 0.000 1.392 295 H HN 0.612 nan 8.280 nan 0.000 0.554 296 E N 1.077 121.070 120.200 -0.344 0.000 2.437 296 E HA 0.068 4.418 4.350 0.001 0.000 0.189 296 E C 1.810 178.499 176.600 0.149 0.000 1.054 296 E CA -0.237 56.140 56.400 -0.038 0.000 0.874 296 E CB 0.056 29.769 29.700 0.021 0.000 1.011 296 E HN 0.171 nan 8.360 nan 0.000 0.474 297 L N 1.861 123.059 121.223 -0.042 0.000 2.021 297 L HA -0.262 4.078 4.340 0.001 0.000 0.215 297 L C 2.314 179.090 176.870 -0.157 0.000 1.074 297 L CA 2.428 57.063 54.840 -0.343 0.000 0.760 297 L CB -0.567 41.236 42.059 -0.426 0.000 0.889 297 L HN 0.278 nan 8.230 nan 0.000 0.433 298 A N -1.812 120.928 122.820 -0.132 0.000 2.167 298 A HA -0.084 4.236 4.320 0.001 0.000 0.214 298 A C 1.735 179.239 177.584 -0.133 0.000 1.151 298 A CA 1.132 53.078 52.037 -0.152 0.000 0.735 298 A CB -0.567 18.319 19.000 -0.189 0.000 0.802 298 A HN 0.542 nan 8.150 nan 0.000 0.467 299 D N -1.647 118.690 120.400 -0.106 0.000 2.317 299 D HA -0.027 4.613 4.640 0.001 0.000 0.211 299 D C 0.718 176.786 176.300 -0.386 0.000 0.966 299 D CA 1.127 54.970 54.000 -0.262 0.000 0.876 299 D CB -0.039 40.557 40.800 -0.340 0.000 0.927 299 D HN 0.656 nan 8.370 nan 0.000 0.519 300 Y N 0.049 120.351 120.300 0.004 0.000 2.467 300 Y HA 0.227 4.778 4.550 0.001 0.000 0.259 300 Y C 0.568 176.490 175.900 0.036 0.000 1.084 300 Y CA -0.029 58.098 58.100 0.046 0.000 1.275 300 Y CB 1.047 39.582 38.460 0.126 0.000 1.208 300 Y HN -0.281 nan 8.280 nan 0.000 0.511 301 E N 0.375 120.633 120.200 0.097 0.000 2.314 301 E HA 0.496 4.847 4.350 0.001 0.000 0.272 301 E C -1.460 175.115 176.600 -0.043 0.000 0.884 301 E CA -0.659 55.766 56.400 0.041 0.000 0.753 301 E CB 3.266 32.955 29.700 -0.018 0.000 1.213 301 E HN -0.154 nan 8.360 nan 0.000 0.432 302 V N 3.354 123.248 119.914 -0.034 0.000 2.735 302 V HA 0.558 4.678 4.120 0.001 0.000 0.310 302 V C -1.119 174.934 176.094 -0.069 0.000 1.061 302 V CA -0.685 61.599 62.300 -0.026 0.000 0.913 302 V CB 1.660 33.531 31.823 0.079 0.000 1.005 302 V HN 0.586 nan 8.190 nan 0.000 0.428 303 I N 5.121 125.651 120.570 -0.067 0.000 2.411 303 I HA 0.415 4.585 4.170 0.001 0.000 0.284 303 I C -0.731 175.438 176.117 0.087 0.000 1.012 303 I CA -0.607 60.667 61.300 -0.044 0.000 1.119 303 I CB 1.814 39.691 38.000 -0.204 0.000 1.261 303 I HN 0.575 nan 8.210 nan 0.000 0.448 304 Q N 6.929 126.760 119.800 0.051 0.000 2.349 304 Q HA 0.437 4.777 4.340 0.001 0.000 0.254 304 Q C -1.183 174.789 176.000 -0.045 0.000 0.980 304 Q CA -0.158 55.683 55.803 0.064 0.000 0.924 304 Q CB 0.985 29.771 28.738 0.080 0.000 1.209 304 Q HN 0.568 nan 8.270 nan 0.000 0.445 305 L N 3.892 125.166 121.223 0.086 0.000 2.283 305 L HA 0.340 4.681 4.340 0.001 0.000 0.287 305 L C 0.106 177.051 176.870 0.125 0.000 1.073 305 L CA -0.652 54.251 54.840 0.104 0.000 0.822 305 L CB 0.398 42.551 42.059 0.157 0.000 1.186 305 L HN 0.559 nan 8.230 nan 0.000 0.436 306 N N 4.056 122.779 118.700 0.038 0.000 2.415 306 N HA 0.073 4.814 4.740 0.001 0.000 0.250 306 N C -0.112 175.611 175.510 0.356 0.000 1.127 306 N CA 0.429 53.591 53.050 0.186 0.000 0.945 306 N CB 0.107 38.634 38.487 0.066 0.000 1.196 306 N HN 0.579 nan 8.380 nan 0.000 0.499 307 D N 0.242 120.942 120.400 0.500 0.000 4.136 307 D HA -0.225 4.416 4.640 0.001 0.000 0.291 307 D C 0.274 176.792 176.300 0.364 0.000 2.238 307 D CA 1.678 55.977 54.000 0.499 0.000 1.141 307 D CB -0.471 40.543 40.800 0.356 0.000 1.027 307 D HN 0.555 nan 8.370 nan 0.000 1.223 308 T N -2.710 111.908 114.554 0.107 0.000 3.086 308 T HA 0.144 4.495 4.350 0.001 0.000 0.250 308 T C 1.527 176.217 174.700 -0.016 0.000 1.074 308 T CA 1.125 63.210 62.100 -0.025 0.000 0.988 308 T CB -0.342 68.479 68.868 -0.078 0.000 0.988 308 T HN 0.461 nan 8.240 nan 0.000 0.530 309 H N 2.753 121.940 119.070 0.195 0.000 2.352 309 H HA 0.020 4.577 4.556 0.001 0.000 0.299 309 H C -0.868 174.556 175.328 0.160 0.000 1.097 309 H CA 1.584 57.759 56.048 0.212 0.000 1.311 309 H CB -1.109 28.794 29.762 0.236 0.000 1.377 309 H HN 0.416 nan 8.280 nan 0.000 0.504 310 P HA 0.110 nan 4.420 nan 0.000 0.249 310 P C 0.265 177.575 177.300 0.016 0.000 1.583 310 P CA 0.392 63.567 63.100 0.125 0.000 0.988 310 P CB 0.390 32.173 31.700 0.138 0.000 1.530 311 T N 0.329 114.877 114.554 -0.009 0.000 2.788 311 T HA -0.127 4.224 4.350 0.001 0.000 0.268 311 T C 1.546 176.160 174.700 -0.143 0.000 1.044 311 T CA 0.960 62.986 62.100 -0.124 0.000 1.139 311 T CB -0.638 68.174 68.868 -0.093 0.000 0.867 311 T HN 0.087 nan 8.240 nan 0.000 0.454 312 I N 1.519 122.054 120.570 -0.059 0.000 2.800 312 I HA -0.071 4.100 4.170 0.001 0.000 0.266 312 I C 2.247 178.348 176.117 -0.027 0.000 1.249 312 I CA 0.221 61.493 61.300 -0.046 0.000 1.458 312 I CB -0.392 37.586 38.000 -0.037 0.000 1.093 312 I HN 0.171 nan 8.210 nan 0.000 0.466 313 A N 0.190 122.960 122.820 -0.082 0.000 2.019 313 A HA -0.170 4.151 4.320 0.001 0.000 0.219 313 A C 2.251 179.748 177.584 -0.146 0.000 1.164 313 A CA 1.685 53.695 52.037 -0.045 0.000 0.644 313 A CB -0.758 18.264 19.000 0.036 0.000 0.805 313 A HN 0.505 nan 8.150 nan 0.000 0.449 314 I N 0.282 120.573 120.570 -0.464 0.000 2.133 314 I HA -0.137 4.033 4.170 0.001 0.000 0.238 314 I C -0.446 175.597 176.117 -0.123 0.000 1.074 314 I CA 1.423 62.397 61.300 -0.543 0.000 1.342 314 I CB -0.951 36.657 38.000 -0.653 0.000 1.053 314 I HN 0.219 nan 8.210 nan 0.000 0.404 315 P HA -0.165 nan 4.420 nan 0.000 0.223 315 P C 1.203 178.577 177.300 0.123 0.000 1.151 315 P CA 1.385 64.534 63.100 0.082 0.000 0.787 315 P CB 0.007 31.796 31.700 0.147 0.000 0.788 316 E N 0.313 120.639 120.200 0.210 0.000 2.107 316 E HA -0.134 4.216 4.350 0.001 0.000 0.191 316 E C 1.816 178.506 176.600 0.150 0.000 0.982 316 E CA 0.671 57.246 56.400 0.291 0.000 0.809 316 E CB -1.162 28.755 29.700 0.361 0.000 0.756 316 E HN 0.056 nan 8.360 nan 0.000 0.459 317 L N 0.037 121.336 121.223 0.128 0.000 2.156 317 L HA 0.085 4.425 4.340 0.001 0.000 0.208 317 L C 2.016 178.906 176.870 0.033 0.000 1.095 317 L CA 1.294 56.190 54.840 0.093 0.000 0.770 317 L CB -0.404 41.742 42.059 0.145 0.000 0.914 317 L HN 0.253 nan 8.230 nan 0.000 0.439 318 L N -0.455 120.769 121.223 0.002 0.000 2.012 318 L HA -0.239 4.101 4.340 0.001 0.000 0.210 318 L C 2.842 179.692 176.870 -0.033 0.000 1.073 318 L CA 1.772 56.566 54.840 -0.076 0.000 0.748 318 L CB -0.530 41.448 42.059 -0.135 0.000 0.891 318 L HN 0.329 nan 8.230 nan 0.000 0.431 319 R N -0.227 120.265 120.500 -0.014 0.000 2.075 319 R HA -0.132 4.209 4.340 0.001 0.000 0.232 319 R C 2.158 178.490 176.300 0.053 0.000 1.126 319 R CA 1.410 57.500 56.100 -0.017 0.000 0.963 319 R CB -0.108 30.108 30.300 -0.139 0.000 0.858 319 R HN 0.172 nan 8.270 nan 0.000 0.435 320 V N 1.412 121.375 119.914 0.082 0.000 2.358 320 V HA -0.225 3.896 4.120 0.001 0.000 0.246 320 V C 2.360 178.576 176.094 0.203 0.000 1.047 320 V CA 1.526 63.906 62.300 0.134 0.000 1.035 320 V CB -0.326 31.574 31.823 0.129 0.000 0.658 320 V HN 0.317 nan 8.190 nan 0.000 0.452 321 L N -0.867 120.430 121.223 0.123 0.000 2.056 321 L HA -0.142 4.199 4.340 0.001 0.000 0.207 321 L C 2.304 179.256 176.870 0.137 0.000 1.078 321 L CA 1.623 56.530 54.840 0.113 0.000 0.749 321 L CB -0.415 41.643 42.059 -0.002 0.000 0.901 321 L HN 0.252 nan 8.230 nan 0.000 0.433 322 I N -0.382 120.242 120.570 0.091 0.000 2.193 322 I HA -0.227 3.943 4.170 0.001 0.000 0.240 322 I C 1.944 178.125 176.117 0.106 0.000 1.084 322 I CA 1.219 62.580 61.300 0.102 0.000 1.365 322 I CB -0.227 37.837 38.000 0.106 0.000 1.064 322 I HN 0.201 nan 8.210 nan 0.000 0.410 323 D N 0.375 120.831 120.400 0.094 0.000 2.194 323 D HA -0.096 4.545 4.640 0.001 0.000 0.204 323 D C 1.829 178.155 176.300 0.043 0.000 0.964 323 D CA 1.048 55.095 54.000 0.079 0.000 0.846 323 D CB -0.003 40.851 40.800 0.090 0.000 0.962 323 D HN 0.395 nan 8.370 nan 0.000 0.490 324 E N -0.835 119.379 120.200 0.024 0.000 2.460 324 E HA 0.067 4.418 4.350 0.001 0.000 0.200 324 E C 0.736 177.126 176.600 -0.350 0.000 1.011 324 E CA 0.212 56.530 56.400 -0.136 0.000 0.912 324 E CB 0.509 30.105 29.700 -0.174 0.000 0.953 324 E HN 0.410 nan 8.360 nan 0.000 0.494 325 H N -0.214 118.872 119.070 0.027 0.000 3.233 325 H HA 0.165 4.722 4.556 0.001 0.000 0.263 325 H C -0.077 175.275 175.328 0.040 0.000 1.168 325 H CA 0.090 56.155 56.048 0.029 0.000 1.159 325 H CB 1.035 30.813 29.762 0.027 0.000 1.593 325 H HN -0.012 nan 8.280 nan 0.000 0.580 326 Q N 0.067 119.941 119.800 0.122 0.000 2.481 326 Q HA -0.164 4.177 4.340 0.001 0.000 0.258 326 Q C -0.105 175.961 176.000 0.110 0.000 0.961 326 Q CA 0.611 56.473 55.803 0.099 0.000 1.121 326 Q CB -1.801 26.982 28.738 0.075 0.000 1.503 326 Q HN 0.480 nan 8.270 nan 0.000 0.544 327 M N 0.551 120.224 119.600 0.122 0.000 2.243 327 M HA 0.172 4.652 4.480 0.001 0.000 0.341 327 M C 0.962 177.334 176.300 0.120 0.000 1.130 327 M CA 0.352 55.716 55.300 0.107 0.000 1.162 327 M CB 0.685 33.336 32.600 0.085 0.000 1.497 327 M HN 0.327 nan 8.290 nan 0.000 0.456 328 S N 2.424 118.199 115.700 0.126 0.000 2.580 328 S HA -0.018 4.452 4.470 0.001 0.000 0.266 328 S C 0.855 175.583 174.600 0.214 0.000 1.354 328 S CA -0.686 57.615 58.200 0.168 0.000 1.008 328 S CB 0.640 63.930 63.200 0.150 0.000 0.898 328 S HN 0.944 nan 8.310 nan 0.000 0.555 329 W N 1.563 122.917 121.300 0.090 0.000 2.358 329 W HA -0.150 4.511 4.660 0.001 0.000 0.303 329 W C 0.952 177.566 176.519 0.158 0.000 1.208 329 W CA 2.059 59.473 57.345 0.115 0.000 1.274 329 W CB -0.727 28.776 29.460 0.071 0.000 1.138 329 W HN 0.766 nan 8.180 nan 0.000 0.515 330 D N 0.293 120.917 120.400 0.374 0.000 2.144 330 D HA -0.169 4.472 4.640 0.001 0.000 0.200 330 D C 1.492 177.908 176.300 0.194 0.000 0.978 330 D CA 1.550 55.725 54.000 0.293 0.000 0.833 330 D CB -0.588 40.355 40.800 0.238 0.000 0.961 330 D HN 0.141 nan 8.370 nan 0.000 0.470 331 D N 0.455 120.940 120.400 0.141 0.000 2.178 331 D HA -0.033 4.608 4.640 0.001 0.000 0.202 331 D C 1.983 178.319 176.300 0.060 0.000 0.974 331 D CA 0.829 54.888 54.000 0.099 0.000 0.841 331 D CB -0.118 40.734 40.800 0.086 0.000 0.953 331 D HN 0.119 nan 8.370 nan 0.000 0.478 332 A N 0.382 123.216 122.820 0.023 0.000 1.872 332 A HA -0.131 4.189 4.320 0.001 0.000 0.214 332 A C 2.092 179.631 177.584 -0.075 0.000 1.187 332 A CA 0.719 52.724 52.037 -0.053 0.000 0.614 332 A CB -1.114 17.814 19.000 -0.119 0.000 0.826 332 A HN 0.397 nan 8.150 nan 0.000 0.442 333 W N 0.910 122.038 121.300 -0.287 0.000 2.421 333 W HA -0.090 4.570 4.660 0.001 0.000 0.270 333 W C 2.074 178.552 176.519 -0.068 0.000 1.233 333 W CA 1.451 58.660 57.345 -0.226 0.000 1.226 333 W CB -0.090 29.238 29.460 -0.220 0.000 1.121 333 W HN 0.434 nan 8.180 nan 0.000 0.579 334 A N 0.404 123.296 122.820 0.120 0.000 1.968 334 A HA -0.121 4.200 4.320 0.001 0.000 0.217 334 A C 1.983 179.538 177.584 -0.049 0.000 1.169 334 A CA 1.421 53.499 52.037 0.068 0.000 0.638 334 A CB -0.737 18.322 19.000 0.098 0.000 0.812 334 A HN 0.284 nan 8.150 nan 0.000 0.446 335 I N -0.052 120.474 120.570 -0.074 0.000 2.193 335 I HA -0.188 3.983 4.170 0.001 0.000 0.240 335 I C 2.911 178.911 176.117 -0.195 0.000 1.084 335 I CA 1.799 63.028 61.300 -0.118 0.000 1.365 335 I CB -0.543 37.395 38.000 -0.103 0.000 1.064 335 I HN 0.504 nan 8.210 nan 0.000 0.410 336 T N -1.608 112.802 114.554 -0.241 0.000 2.867 336 T HA -0.125 4.226 4.350 0.001 0.000 0.268 336 T C 1.958 176.493 174.700 -0.274 0.000 1.057 336 T CA 1.280 63.242 62.100 -0.229 0.000 1.136 336 T CB -0.627 68.127 68.868 -0.190 0.000 0.874 336 T HN 0.416 nan 8.240 nan 0.000 0.466 337 S N 1.265 116.652 115.700 -0.521 0.000 2.474 337 S HA 0.065 4.535 4.470 0.001 0.000 0.235 337 S C 1.768 176.285 174.600 -0.139 0.000 0.997 337 S CA 0.157 58.068 58.200 -0.481 0.000 0.949 337 S CB -0.292 62.528 63.200 -0.633 0.000 0.766 337 S HN 0.401 nan 8.310 nan 0.000 0.517 338 K N 0.606 120.918 120.400 -0.147 0.000 2.358 338 K HA 0.266 4.586 4.320 0.001 0.000 0.197 338 K C 0.887 177.343 176.600 -0.239 0.000 1.025 338 K CA 0.387 56.555 56.287 -0.198 0.000 1.104 338 K CB 0.260 32.628 32.500 -0.220 0.000 0.855 338 K HN 0.402 nan 8.250 nan 0.000 0.531 339 T N -0.012 114.488 114.554 -0.090 0.000 3.038 339 T HA 0.201 4.552 4.350 0.001 0.000 0.244 339 T C 0.091 174.749 174.700 -0.071 0.000 1.016 339 T CA 0.155 62.139 62.100 -0.193 0.000 1.098 339 T CB 0.095 68.680 68.868 -0.472 0.000 0.954 339 T HN -0.086 nan 8.240 nan 0.000 0.469 340 F N 2.008 122.051 119.950 0.156 0.000 2.404 340 F HA 0.681 5.209 4.527 0.001 0.000 0.345 340 F C 0.425 176.136 175.800 -0.148 0.000 1.110 340 F CA -1.375 56.647 58.000 0.036 0.000 1.130 340 F CB 0.755 39.698 39.000 -0.095 0.000 1.129 340 F HN 0.009 nan 8.300 nan 0.000 0.500 341 A N 3.557 126.384 122.820 0.011 0.000 2.374 341 A HA 0.689 5.009 4.320 0.001 0.000 0.317 341 A C -2.104 175.503 177.584 0.037 0.000 1.094 341 A CA -0.631 51.253 52.037 -0.255 0.000 0.765 341 A CB 1.055 19.887 19.000 -0.280 0.000 1.268 341 A HN 0.663 nan 8.150 nan 0.000 0.438 342 Y N 1.041 121.250 120.300 -0.151 0.000 2.376 342 Y HA 0.641 5.191 4.550 0.001 0.000 0.340 342 Y C -0.505 175.394 175.900 -0.002 0.000 0.965 342 Y CA -0.604 57.455 58.100 -0.068 0.000 1.078 342 Y CB 1.928 40.312 38.460 -0.127 0.000 1.193 342 Y HN 0.523 nan 8.280 nan 0.000 0.452 343 T N 7.048 121.472 114.554 -0.217 0.000 2.743 343 T HA 0.204 4.555 4.350 0.001 0.000 0.292 343 T C -0.566 173.734 174.700 -0.666 0.000 0.972 343 T CA -0.724 61.168 62.100 -0.346 0.000 0.967 343 T CB 0.060 68.925 68.868 -0.004 0.000 0.926 343 T HN 0.661 nan 8.240 nan 0.000 0.459 344 N N 2.223 120.466 118.700 -0.762 0.000 2.455 344 N HA 0.079 4.819 4.740 0.001 0.000 0.280 344 N C -0.070 175.336 175.510 -0.173 0.000 1.055 344 N CA -0.261 52.560 53.050 -0.382 0.000 0.961 344 N CB 0.612 39.011 38.487 -0.146 0.000 1.121 344 N HN 0.660 nan 8.380 nan 0.000 0.476 345 H N 1.308 120.465 119.070 0.144 0.000 2.581 345 H HA 0.106 4.663 4.556 0.001 0.000 0.275 345 H C -0.014 175.335 175.328 0.036 0.000 1.126 345 H CA -0.143 55.923 56.048 0.030 0.000 1.097 345 H CB 0.672 30.455 29.762 0.035 0.000 1.626 345 H HN 0.568 nan 8.280 nan 0.000 0.565 346 T N 0.007 114.728 114.554 0.278 0.000 2.887 346 T HA 0.616 4.966 4.350 0.001 0.000 0.288 346 T C -0.572 174.257 174.700 0.216 0.000 1.021 346 T CA -0.790 61.428 62.100 0.198 0.000 1.000 346 T CB 1.934 70.889 68.868 0.145 0.000 1.034 346 T HN 0.067 nan 8.240 nan 0.000 0.467 347 L N 2.560 123.838 121.223 0.091 0.000 2.354 347 L HA 0.801 5.142 4.340 0.001 0.000 0.269 347 L C -0.088 176.766 176.870 -0.027 0.000 1.005 347 L CA -1.197 53.661 54.840 0.031 0.000 0.819 347 L CB 1.508 43.584 42.059 0.030 0.000 1.311 347 L HN 0.893 nan 8.230 nan 0.000 0.423 348 M N 0.668 120.231 119.600 -0.061 0.000 4.044 348 M HA -0.125 4.356 4.480 0.001 0.000 0.157 348 M C -2.125 174.139 176.300 -0.060 0.000 1.532 348 M CA -0.289 54.974 55.300 -0.061 0.000 1.096 348 M CB -0.295 32.277 32.600 -0.046 0.000 1.346 348 M HN 0.482 nan 8.290 nan 0.000 0.193 349 P HA -0.142 nan 4.420 nan 0.000 0.221 349 P C 0.535 177.825 177.300 -0.016 0.000 1.145 349 P CA 1.482 64.544 63.100 -0.063 0.000 0.795 349 P CB 0.220 31.870 31.700 -0.083 0.000 0.775 350 E N -0.300 119.888 120.200 -0.019 0.000 2.204 350 E HA -0.067 4.284 4.350 0.001 0.000 0.194 350 E C 1.959 178.552 176.600 -0.013 0.000 0.989 350 E CA 1.225 57.620 56.400 -0.009 0.000 0.824 350 E CB -0.710 28.984 29.700 -0.010 0.000 0.756 350 E HN 0.203 nan 8.360 nan 0.000 0.477 351 A N 0.602 123.415 122.820 -0.013 0.000 2.218 351 A HA 0.115 4.436 4.320 0.001 0.000 0.209 351 A C 0.660 178.239 177.584 -0.008 0.000 1.168 351 A CA -0.128 51.900 52.037 -0.016 0.000 0.804 351 A CB -0.279 18.713 19.000 -0.014 0.000 0.834 351 A HN 0.100 nan 8.150 nan 0.000 0.482 352 L N 1.177 122.411 121.223 0.019 0.000 2.499 352 L HA 0.071 4.411 4.340 0.001 0.000 0.273 352 L C 0.730 177.580 176.870 -0.035 0.000 1.195 352 L CA -0.198 54.671 54.840 0.049 0.000 0.882 352 L CB 0.225 42.361 42.059 0.129 0.000 1.133 352 L HN 0.386 nan 8.230 nan 0.000 0.483 353 E N 3.893 124.049 120.200 -0.074 0.000 2.414 353 E HA 0.123 4.474 4.350 0.001 0.000 0.263 353 E C -0.545 175.883 176.600 -0.287 0.000 1.000 353 E CA 0.099 56.373 56.400 -0.211 0.000 0.914 353 E CB 0.601 30.196 29.700 -0.174 0.000 0.948 353 E HN 0.429 nan 8.360 nan 0.000 0.444 354 R N 3.304 123.497 120.500 -0.513 0.000 2.651 354 R HA 0.385 4.725 4.340 0.001 0.000 0.278 354 R C -1.592 174.257 176.300 -0.751 0.000 1.010 354 R CA -0.687 55.102 56.100 -0.518 0.000 0.896 354 R CB 1.346 31.388 30.300 -0.429 0.000 1.211 354 R HN 0.498 nan 8.270 nan 0.000 0.456 355 W N 1.189 122.421 121.300 -0.113 0.000 2.785 355 W HA 0.291 4.952 4.660 0.001 0.000 0.333 355 W C -0.603 175.895 176.519 -0.036 0.000 1.062 355 W CA -0.663 56.648 57.345 -0.056 0.000 1.233 355 W CB 1.482 30.916 29.460 -0.043 0.000 1.413 355 W HN 0.329 nan 8.180 nan 0.000 0.489 356 D N 1.666 122.218 120.400 0.253 0.000 2.487 356 D HA -0.025 4.615 4.640 0.001 0.000 0.243 356 D C 1.223 177.634 176.300 0.185 0.000 1.154 356 D CA 0.285 54.400 54.000 0.192 0.000 0.876 356 D CB 1.491 42.423 40.800 0.220 0.000 1.161 356 D HN 0.122 nan 8.370 nan 0.000 0.478 357 V N 3.614 123.610 119.914 0.137 0.000 2.278 357 V HA -0.327 3.793 4.120 0.001 0.000 0.251 357 V C 2.418 178.574 176.094 0.104 0.000 1.062 357 V CA 2.143 64.508 62.300 0.109 0.000 1.038 357 V CB -0.380 31.497 31.823 0.091 0.000 0.646 357 V HN 0.657 nan 8.190 nan 0.000 0.447 358 K N -0.567 119.905 120.400 0.120 0.000 2.103 358 K HA -0.233 4.088 4.320 0.001 0.000 0.207 358 K C 2.049 178.746 176.600 0.162 0.000 1.048 358 K CA 1.787 58.148 56.287 0.124 0.000 0.930 358 K CB -0.218 32.360 32.500 0.129 0.000 0.716 358 K HN 0.370 nan 8.250 nan 0.000 0.444 359 L N 0.381 121.727 121.223 0.206 0.000 2.044 359 L HA -0.079 4.261 4.340 0.001 0.000 0.205 359 L C 1.902 178.791 176.870 0.031 0.000 1.075 359 L CA 1.359 56.303 54.840 0.173 0.000 0.747 359 L CB -0.361 41.792 42.059 0.156 0.000 0.903 359 L HN -0.016 nan 8.230 nan 0.000 0.435 360 V N -0.021 119.899 119.914 0.009 0.000 2.407 360 V HA -0.281 3.839 4.120 0.001 0.000 0.248 360 V C 2.649 178.709 176.094 -0.057 0.000 1.055 360 V CA 2.063 64.317 62.300 -0.077 0.000 1.049 360 V CB -0.783 31.013 31.823 -0.045 0.000 0.662 360 V HN 0.496 nan 8.190 nan 0.000 0.455 361 K N 0.194 120.595 120.400 0.001 0.000 2.062 361 K HA -0.068 4.253 4.320 0.001 0.000 0.205 361 K C 2.175 178.780 176.600 0.009 0.000 1.051 361 K CA 1.280 57.567 56.287 -0.000 0.000 0.941 361 K CB -0.421 32.096 32.500 0.028 0.000 0.719 361 K HN 0.488 nan 8.250 nan 0.000 0.440 362 G N 0.980 109.805 108.800 0.042 0.000 2.422 362 G HA2 -0.190 3.771 3.960 0.001 0.000 0.218 362 G HA3 -0.190 3.771 3.960 0.001 0.000 0.218 362 G C 1.314 176.247 174.900 0.056 0.000 1.140 362 G CA 0.383 45.522 45.100 0.066 0.000 0.775 362 G HN 0.219 nan 8.290 nan 0.000 0.545 363 L N -0.682 120.546 121.223 0.007 0.000 2.202 363 L HA 0.465 4.805 4.340 0.001 0.000 0.205 363 L C 0.789 177.626 176.870 -0.054 0.000 1.083 363 L CA 0.975 55.806 54.840 -0.015 0.000 0.790 363 L CB 0.242 42.248 42.059 -0.088 0.000 0.942 363 L HN 0.057 nan 8.230 nan 0.000 0.452 364 L N 0.731 121.860 121.223 -0.156 0.000 2.475 364 L HA 0.287 4.627 4.340 0.001 0.000 0.253 364 L C -1.700 175.012 176.870 -0.263 0.000 1.483 364 L CA -0.922 53.740 54.840 -0.297 0.000 0.869 364 L CB 1.079 42.823 42.059 -0.524 0.000 1.086 364 L HN -0.089 nan 8.230 nan 0.000 0.514 365 P HA -0.214 nan 4.420 nan 0.000 0.216 365 P C 1.424 178.561 177.300 -0.272 0.000 1.150 365 P CA 1.250 64.240 63.100 -0.184 0.000 0.837 365 P CB 0.414 32.065 31.700 -0.082 0.000 0.786 366 R N -0.394 119.770 120.500 -0.560 0.000 2.090 366 R HA -0.106 4.235 4.340 0.001 0.000 0.228 366 R C 2.335 178.392 176.300 -0.406 0.000 1.110 366 R CA 1.501 57.305 56.100 -0.493 0.000 0.973 366 R CB -1.531 28.360 30.300 -0.680 0.000 0.869 366 R HN 0.226 nan 8.270 nan 0.000 0.440 367 H N -0.996 117.809 119.070 -0.441 0.000 2.387 367 H HA -0.052 4.505 4.556 0.001 0.000 0.299 367 H C 1.618 176.863 175.328 -0.139 0.000 1.090 367 H CA 1.886 57.775 56.048 -0.265 0.000 1.332 367 H CB -0.122 29.436 29.762 -0.340 0.000 1.386 367 H HN 0.134 nan 8.280 nan 0.000 0.516 368 M N 0.694 120.272 119.600 -0.036 0.000 2.175 368 M HA -0.161 4.319 4.480 0.001 0.000 0.264 368 M C 1.792 178.102 176.300 0.017 0.000 1.063 368 M CA 1.586 56.886 55.300 -0.001 0.000 1.119 368 M CB -0.100 32.491 32.600 -0.016 0.000 1.377 368 M HN 0.218 nan 8.290 nan 0.000 0.415 369 Q N -0.471 119.321 119.800 -0.014 0.000 2.096 369 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 369 Q C 2.090 178.126 176.000 0.060 0.000 0.982 369 Q CA 1.885 57.694 55.803 0.010 0.000 0.850 369 Q CB -0.340 28.392 28.738 -0.010 0.000 0.901 369 Q HN 0.549 nan 8.270 nan 0.000 0.422 370 I N 0.143 120.764 120.570 0.086 0.000 2.315 370 I HA -0.249 3.922 4.170 0.001 0.000 0.248 370 I C 2.024 178.303 176.117 0.270 0.000 1.117 370 I CA 0.941 62.382 61.300 0.235 0.000 1.404 370 I CB -0.071 38.042 38.000 0.189 0.000 1.071 370 I HN 0.182 nan 8.210 nan 0.000 0.419 371 I N 0.513 121.186 120.570 0.173 0.000 2.353 371 I HA -0.244 3.927 4.170 0.001 0.000 0.248 371 I C 2.174 178.393 176.117 0.170 0.000 1.119 371 I CA 0.965 62.374 61.300 0.182 0.000 1.417 371 I CB -0.444 37.633 38.000 0.129 0.000 1.078 371 I HN 0.256 nan 8.210 nan 0.000 0.421 372 N N 0.703 119.476 118.700 0.122 0.000 2.104 372 N HA -0.241 4.499 4.740 0.001 0.000 0.190 372 N C 1.802 177.350 175.510 0.064 0.000 1.024 372 N CA 1.351 54.462 53.050 0.102 0.000 0.853 372 N CB -0.275 38.250 38.487 0.064 0.000 1.008 372 N HN 0.332 nan 8.380 nan 0.000 0.424 373 E N 1.107 121.308 120.200 0.002 0.000 2.058 373 E HA -0.077 4.274 4.350 0.001 0.000 0.194 373 E C 2.001 178.527 176.600 -0.123 0.000 0.997 373 E CA 0.987 57.267 56.400 -0.200 0.000 0.801 373 E CB -0.346 29.092 29.700 -0.437 0.000 0.746 373 E HN 0.355 nan 8.360 nan 0.000 0.450 374 I N 0.636 121.307 120.570 0.168 0.000 2.194 374 I HA -0.317 3.853 4.170 0.001 0.000 0.246 374 I C 2.329 178.595 176.117 0.247 0.000 1.093 374 I CA 1.473 62.936 61.300 0.272 0.000 1.355 374 I CB -0.494 37.745 38.000 0.398 0.000 1.046 374 I HN 0.227 nan 8.210 nan 0.000 0.413 375 N N 0.474 119.333 118.700 0.266 0.000 2.084 375 N HA -0.165 4.575 4.740 0.001 0.000 0.190 375 N C 1.780 177.520 175.510 0.384 0.000 1.030 375 N CA 2.100 55.386 53.050 0.394 0.000 0.849 375 N CB -0.204 38.486 38.487 0.337 0.000 1.012 375 N HN 0.177 nan 8.380 nan 0.000 0.423 376 T N 0.092 114.748 114.554 0.169 0.000 2.708 376 T HA -0.067 4.283 4.350 0.001 0.000 0.266 376 T C 1.935 176.631 174.700 -0.007 0.000 1.037 376 T CA 1.143 63.267 62.100 0.040 0.000 1.146 376 T CB -0.184 68.653 68.868 -0.052 0.000 0.865 376 T HN 0.243 nan 8.240 nan 0.000 0.435 377 R N -0.170 120.308 120.500 -0.037 0.000 2.096 377 R HA -0.010 4.331 4.340 0.001 0.000 0.235 377 R C 2.099 178.456 176.300 0.095 0.000 1.127 377 R CA 1.201 57.265 56.100 -0.060 0.000 0.968 377 R CB -0.373 29.814 30.300 -0.188 0.000 0.861 377 R HN 0.350 nan 8.270 nan 0.000 0.440 378 F N 1.529 121.535 119.950 0.093 0.000 2.367 378 F HA -0.016 4.512 4.527 0.001 0.000 0.298 378 F C 1.984 177.928 175.800 0.239 0.000 1.094 378 F CA 1.092 59.236 58.000 0.239 0.000 1.409 378 F CB 0.012 39.240 39.000 0.380 0.000 1.064 378 F HN -0.213 nan 8.300 nan 0.000 0.528 379 K N -0.232 120.164 120.400 -0.006 0.000 2.063 379 K HA -0.167 4.154 4.320 0.001 0.000 0.208 379 K C 1.939 178.316 176.600 -0.372 0.000 1.048 379 K CA 1.993 57.970 56.287 -0.517 0.000 0.928 379 K CB -0.349 31.711 32.500 -0.733 0.000 0.713 379 K HN 0.245 nan 8.250 nan 0.000 0.442 380 T N 1.919 116.344 114.554 -0.214 0.000 2.597 380 T HA -0.229 4.122 4.350 0.001 0.000 0.267 380 T C 1.735 176.356 174.700 -0.131 0.000 1.053 380 T CA 1.671 63.680 62.100 -0.151 0.000 1.165 380 T CB -0.344 68.469 68.868 -0.093 0.000 0.863 380 T HN 0.170 nan 8.240 nan 0.000 0.427 381 L N 0.827 121.986 121.223 -0.106 0.000 2.042 381 L HA -0.077 4.264 4.340 0.001 0.000 0.210 381 L C 2.471 179.264 176.870 -0.128 0.000 1.076 381 L CA 1.388 56.182 54.840 -0.076 0.000 0.749 381 L CB -0.440 41.652 42.059 0.054 0.000 0.893 381 L HN 0.095 nan 8.230 nan 0.000 0.432 382 V N -0.810 118.965 119.914 -0.231 0.000 2.626 382 V HA -0.223 3.898 4.120 0.001 0.000 0.252 382 V C 2.475 178.608 176.094 0.066 0.000 1.067 382 V CA 1.542 63.829 62.300 -0.022 0.000 1.081 382 V CB -0.362 31.419 31.823 -0.070 0.000 0.686 382 V HN 0.487 nan 8.190 nan 0.000 0.468 383 E N 0.966 121.111 120.200 -0.092 0.000 2.031 383 E HA -0.232 4.119 4.350 0.001 0.000 0.193 383 E C 2.282 178.845 176.600 -0.062 0.000 0.994 383 E CA 1.500 57.852 56.400 -0.080 0.000 0.800 383 E CB -0.358 29.258 29.700 -0.140 0.000 0.752 383 E HN 0.388 nan 8.360 nan 0.000 0.447 384 K N -0.855 119.490 120.400 -0.090 0.000 2.228 384 K HA -0.166 4.155 4.320 0.001 0.000 0.205 384 K C 1.418 177.912 176.600 -0.177 0.000 1.045 384 K CA 1.776 57.998 56.287 -0.110 0.000 0.931 384 K CB -0.071 32.372 32.500 -0.095 0.000 0.727 384 K HN 0.230 nan 8.250 nan 0.000 0.458 385 T N -1.367 113.041 114.554 -0.243 0.000 3.042 385 T HA 0.038 4.388 4.350 0.001 0.000 0.245 385 T C 0.250 174.552 174.700 -0.663 0.000 1.029 385 T CA 0.301 62.053 62.100 -0.580 0.000 1.120 385 T CB 0.186 68.454 68.868 -1.001 0.000 0.917 385 T HN 0.247 nan 8.240 nan 0.000 0.467 386 W N 2.824 124.080 121.300 -0.073 0.000 1.890 386 W HA 0.345 5.006 4.660 0.001 0.000 0.293 386 W C -3.179 173.305 176.519 -0.058 0.000 0.895 386 W CA -2.657 54.654 57.345 -0.056 0.000 1.968 386 W CB -0.231 29.203 29.460 -0.043 0.000 2.198 386 W HN 0.060 nan 8.180 nan 0.000 0.401 387 P HA 0.009 nan 4.420 nan 0.000 0.264 387 P C 1.088 178.412 177.300 0.040 0.000 1.183 387 P CA 1.617 64.732 63.100 0.026 0.000 0.763 387 P CB 0.525 32.218 31.700 -0.013 0.000 0.807 388 G N 1.984 110.791 108.800 0.011 0.000 2.187 388 G HA2 -0.262 3.699 3.960 0.001 0.000 0.261 388 G HA3 -0.262 3.699 3.960 0.001 0.000 0.261 388 G C 0.062 174.982 174.900 0.034 0.000 1.000 388 G CA 0.148 45.253 45.100 0.009 0.000 0.718 388 G HN 0.648 nan 8.290 nan 0.000 0.519 389 D N 0.112 120.551 120.400 0.065 0.000 2.428 389 D HA 0.392 5.032 4.640 0.001 0.000 0.221 389 D C 1.243 177.584 176.300 0.068 0.000 1.123 389 D CA -0.439 53.600 54.000 0.065 0.000 0.869 389 D CB 0.420 41.273 40.800 0.087 0.000 1.032 389 D HN 0.431 nan 8.370 nan 0.000 0.506 390 E N 2.272 122.513 120.200 0.067 0.000 2.371 390 E HA -0.114 4.236 4.350 0.001 0.000 0.194 390 E C 1.375 178.026 176.600 0.085 0.000 1.012 390 E CA 0.415 56.886 56.400 0.119 0.000 0.860 390 E CB 0.494 30.256 29.700 0.104 0.000 0.811 390 E HN 0.250 nan 8.360 nan 0.000 0.502 391 K N 0.142 120.547 120.400 0.009 0.000 2.211 391 K HA 0.004 4.324 4.320 0.001 0.000 0.201 391 K C 1.709 178.228 176.600 -0.135 0.000 1.052 391 K CA 0.568 56.820 56.287 -0.059 0.000 0.973 391 K CB 0.023 32.490 32.500 -0.054 0.000 0.766 391 K HN -0.098 nan 8.250 nan 0.000 0.466 392 V N 0.673 120.499 119.914 -0.148 0.000 2.488 392 V HA -0.127 3.993 4.120 0.001 0.000 0.246 392 V C 1.815 177.798 176.094 -0.186 0.000 1.046 392 V CA 1.497 63.625 62.300 -0.287 0.000 1.053 392 V CB -0.428 31.092 31.823 -0.505 0.000 0.679 392 V HN 0.564 nan 8.190 nan 0.000 0.458 393 W N 0.796 121.962 121.300 -0.223 0.000 2.358 393 W HA -0.229 4.431 4.660 0.001 0.000 0.303 393 W C 2.277 178.666 176.519 -0.217 0.000 1.208 393 W CA 1.461 58.714 57.345 -0.153 0.000 1.274 393 W CB -0.129 29.292 29.460 -0.064 0.000 1.138 393 W HN 0.311 nan 8.180 nan 0.000 0.515 394 A N 0.764 123.320 122.820 -0.440 0.000 1.978 394 A HA -0.266 4.054 4.320 0.001 0.000 0.220 394 A C 1.949 179.096 177.584 -0.728 0.000 1.170 394 A CA 2.121 53.609 52.037 -0.914 0.000 0.636 394 A CB -0.815 17.814 19.000 -0.620 0.000 0.810 394 A HN 0.391 nan 8.150 nan 0.000 0.448 395 K N -0.660 119.455 120.400 -0.475 0.000 2.116 395 K HA 0.134 4.455 4.320 0.001 0.000 0.203 395 K C 1.407 177.791 176.600 -0.360 0.000 1.052 395 K CA 0.898 56.956 56.287 -0.381 0.000 0.952 395 K CB -0.110 32.199 32.500 -0.318 0.000 0.729 395 K HN 0.498 nan 8.250 nan 0.000 0.446 396 L N 0.296 121.304 121.223 -0.360 0.000 2.585 396 L HA 0.288 4.629 4.340 0.001 0.000 0.226 396 L C 0.647 177.512 176.870 -0.008 0.000 1.113 396 L CA -0.491 54.273 54.840 -0.127 0.000 0.876 396 L CB 0.152 42.235 42.059 0.041 0.000 1.072 396 L HN 0.031 nan 8.230 nan 0.000 0.468 397 A N 0.410 122.888 122.820 -0.569 0.000 2.445 397 A HA 0.280 4.600 4.320 0.001 0.000 0.242 397 A C 1.281 178.739 177.584 -0.209 0.000 1.075 397 A CA -0.209 51.355 52.037 -0.788 0.000 0.777 397 A CB 0.820 19.050 19.000 -1.282 0.000 1.013 397 A HN -0.024 nan 8.150 nan 0.000 0.493 398 V N 2.099 122.030 119.914 0.028 0.000 2.407 398 V HA -0.070 4.051 4.120 0.001 0.000 0.245 398 V C 0.677 176.901 176.094 0.216 0.000 1.041 398 V CA 1.407 63.793 62.300 0.144 0.000 1.040 398 V CB -0.355 31.569 31.823 0.170 0.000 0.671 398 V HN 0.569 nan 8.190 nan 0.000 0.455 399 V N 1.662 121.692 119.914 0.193 0.000 2.378 399 V HA 0.557 4.677 4.120 0.001 0.000 0.288 399 V C -0.549 175.670 176.094 0.207 0.000 1.016 399 V CA -0.462 61.975 62.300 0.228 0.000 0.840 399 V CB 1.165 33.107 31.823 0.198 0.000 0.994 399 V HN 0.503 nan 8.190 nan 0.000 0.431 400 H N 3.941 123.080 119.070 0.114 0.000 3.123 400 H HA 0.224 4.781 4.556 0.001 0.000 0.346 400 H C -0.646 174.749 175.328 0.113 0.000 1.138 400 H CA -0.267 55.795 56.048 0.024 0.000 1.273 400 H CB 2.082 31.716 29.762 -0.212 0.000 1.926 400 H HN 0.713 nan 8.280 nan 0.000 0.524 401 D N 3.387 123.641 120.400 -0.243 0.000 2.699 401 D HA -0.184 4.456 4.640 0.001 0.000 0.239 401 D C -0.247 176.078 176.300 0.042 0.000 1.136 401 D CA 1.544 55.508 54.000 -0.060 0.000 0.668 401 D CB -0.964 39.905 40.800 0.116 0.000 1.060 401 D HN 0.798 nan 8.370 nan 0.000 0.429 402 K N -1.026 119.389 120.400 0.025 0.000 3.012 402 K HA -0.274 4.046 4.320 0.001 0.000 0.259 402 K C 0.067 176.723 176.600 0.093 0.000 0.989 402 K CA 1.335 57.658 56.287 0.060 0.000 0.728 402 K CB -1.104 31.424 32.500 0.047 0.000 1.260 402 K HN 0.613 nan 8.250 nan 0.000 0.480 403 Q N -0.629 119.248 119.800 0.130 0.000 2.379 403 Q HA 0.521 4.862 4.340 0.001 0.000 0.278 403 Q C -1.006 175.068 176.000 0.122 0.000 1.068 403 Q CA -1.106 54.752 55.803 0.091 0.000 0.816 403 Q CB 2.941 31.678 28.738 -0.001 0.000 1.387 403 Q HN 0.025 nan 8.270 nan 0.000 0.413 404 V N 1.970 121.920 119.914 0.061 0.000 2.439 404 V HA 0.246 4.366 4.120 0.001 0.000 0.282 404 V C -0.465 175.574 176.094 -0.091 0.000 1.039 404 V CA -0.537 61.826 62.300 0.106 0.000 0.913 404 V CB 1.047 32.963 31.823 0.155 0.000 0.983 404 V HN 0.690 nan 8.190 nan 0.000 0.460 405 H N 6.337 125.458 119.070 0.084 0.000 2.700 405 H HA 0.275 4.832 4.556 0.001 0.000 0.269 405 H C 0.418 175.769 175.328 0.040 0.000 1.222 405 H CA -0.644 55.438 56.048 0.055 0.000 1.254 405 H CB 1.406 31.202 29.762 0.056 0.000 1.413 405 H HN 0.545 nan 8.280 nan 0.000 0.507 406 M N 1.007 120.632 119.600 0.042 0.000 2.254 406 M HA -0.054 4.427 4.480 0.001 0.000 0.265 406 M C 2.363 178.604 176.300 -0.100 0.000 1.066 406 M CA 0.712 56.018 55.300 0.011 0.000 1.123 406 M CB -0.861 31.774 32.600 0.057 0.000 1.388 406 M HN 0.572 nan 8.290 nan 0.000 0.425 407 A N 1.052 123.843 122.820 -0.048 0.000 1.933 407 A HA -0.180 4.141 4.320 0.001 0.000 0.218 407 A C 2.011 179.528 177.584 -0.111 0.000 1.175 407 A CA 1.799 53.777 52.037 -0.098 0.000 0.628 407 A CB -0.749 18.391 19.000 0.233 0.000 0.814 407 A HN 0.448 nan 8.150 nan 0.000 0.444 408 N N -0.266 118.476 118.700 0.070 0.000 2.166 408 N HA -0.122 4.618 4.740 0.001 0.000 0.186 408 N C 1.495 176.904 175.510 -0.168 0.000 1.019 408 N CA 1.325 54.406 53.050 0.051 0.000 0.856 408 N CB -0.516 38.105 38.487 0.224 0.000 0.993 408 N HN 0.412 nan 8.380 nan 0.000 0.426 409 L N 0.513 121.665 121.223 -0.118 0.000 2.093 409 L HA -0.038 4.303 4.340 0.001 0.000 0.208 409 L C 1.925 178.630 176.870 -0.275 0.000 1.085 409 L CA 1.403 56.160 54.840 -0.139 0.000 0.755 409 L CB -0.794 41.228 42.059 -0.063 0.000 0.904 409 L HN 0.141 nan 8.230 nan 0.000 0.435 410 C N -1.849 117.210 119.300 -0.401 0.000 2.440 410 C HA -0.073 4.387 4.460 0.001 0.000 0.278 410 C C 2.707 177.421 174.990 -0.461 0.000 1.295 410 C CA 0.795 59.502 59.018 -0.518 0.000 1.738 410 C CB -0.727 26.433 27.740 -0.966 0.000 1.987 410 C HN 0.460 nan 8.230 nan 0.000 0.492 411 V N 0.387 119.985 119.914 -0.526 0.000 2.323 411 V HA -0.147 3.974 4.120 0.001 0.000 0.244 411 V C 2.407 178.113 176.094 -0.646 0.000 1.041 411 V CA 1.848 63.776 62.300 -0.620 0.000 1.025 411 V CB -0.686 30.589 31.823 -0.914 0.000 0.656 411 V HN 0.420 nan 8.190 nan 0.000 0.451 412 V N 0.993 120.559 119.914 -0.579 0.000 2.427 412 V HA -0.119 4.002 4.120 0.001 0.000 0.248 412 V C 2.464 178.414 176.094 -0.240 0.000 1.051 412 V CA 2.148 64.174 62.300 -0.457 0.000 1.048 412 V CB -1.075 30.474 31.823 -0.458 0.000 0.666 412 V HN 0.617 nan 8.190 nan 0.000 0.456 413 G N -0.895 107.763 108.800 -0.237 0.000 2.777 413 G HA2 0.320 4.281 3.960 0.001 0.000 0.211 413 G HA3 0.320 4.281 3.960 0.001 0.000 0.211 413 G C 0.623 175.295 174.900 -0.379 0.000 1.149 413 G CA 0.677 45.599 45.100 -0.298 0.000 0.785 413 G HN 0.635 nan 8.290 nan 0.000 0.536 414 G N -0.620 107.986 108.800 -0.324 0.000 2.820 414 G HA2 0.472 4.432 3.960 0.001 0.000 0.291 414 G HA3 0.472 4.432 3.960 0.001 0.000 0.291 414 G C 0.184 174.948 174.900 -0.226 0.000 1.323 414 G CA -0.666 44.308 45.100 -0.210 0.000 1.055 414 G HN 0.256 nan 8.290 nan 0.000 0.520 415 F N -1.808 118.037 119.950 -0.176 0.000 2.678 415 F HA 0.749 5.276 4.527 0.001 0.000 0.305 415 F C 0.433 176.162 175.800 -0.117 0.000 1.090 415 F CA -0.433 57.467 58.000 -0.168 0.000 1.272 415 F CB 0.368 39.314 39.000 -0.090 0.000 1.060 415 F HN 0.553 nan 8.300 nan 0.000 0.576 416 A N 0.567 122.966 122.820 -0.702 0.000 2.540 416 A HA 0.713 5.033 4.320 0.001 0.000 0.297 416 A C -1.625 175.717 177.584 -0.405 0.000 1.056 416 A CA -0.652 51.083 52.037 -0.504 0.000 0.700 416 A CB 1.304 19.917 19.000 -0.644 0.000 1.280 416 A HN 0.056 nan 8.150 nan 0.000 0.398 417 V N 3.250 122.956 119.914 -0.346 0.000 2.735 417 V HA 0.697 4.818 4.120 0.001 0.000 0.310 417 V C -0.766 175.267 176.094 -0.102 0.000 1.061 417 V CA -0.763 61.347 62.300 -0.316 0.000 0.913 417 V CB 2.113 33.601 31.823 -0.558 0.000 1.005 417 V HN 1.056 nan 8.190 nan 0.000 0.428 418 N N 2.211 120.853 118.700 -0.097 0.000 2.264 418 N HA 0.557 5.297 4.740 0.001 0.000 0.288 418 N C -0.367 175.130 175.510 -0.023 0.000 1.094 418 N CA -0.257 52.792 53.050 -0.002 0.000 0.817 418 N CB 2.669 41.149 38.487 -0.012 0.000 1.604 418 N HN 0.719 nan 8.380 nan 0.000 0.473 419 G N -0.554 108.275 108.800 0.048 0.000 2.532 419 G HA2 0.456 4.417 3.960 0.001 0.000 0.291 419 G HA3 0.456 4.417 3.960 0.001 0.000 0.291 419 G C 0.602 175.633 174.900 0.218 0.000 1.349 419 G CA -0.205 45.010 45.100 0.192 0.000 1.038 419 G HN 0.848 nan 8.290 nan 0.000 0.518 420 V N -4.352 115.777 119.914 0.358 0.000 3.252 420 V HA 0.729 4.849 4.120 0.001 0.000 0.320 420 V C 0.348 176.515 176.094 0.121 0.000 1.459 420 V CA 0.490 62.873 62.300 0.139 0.000 1.095 420 V CB -0.504 31.354 31.823 0.058 0.000 0.997 420 V HN 1.439 nan 8.190 nan 0.000 0.469 421 A N -0.471 122.442 122.820 0.155 0.000 2.601 421 A HA 0.893 5.214 4.320 0.001 0.000 0.291 421 A C 0.790 178.440 177.584 0.111 0.000 1.075 421 A CA 0.041 52.150 52.037 0.120 0.000 0.671 421 A CB 0.859 19.920 19.000 0.102 0.000 1.277 421 A HN 0.976 nan 8.150 nan 0.000 0.417 422 A N 0.149 123.014 122.820 0.075 0.000 1.902 422 A HA 0.044 4.365 4.320 0.001 0.000 0.217 422 A C 1.959 179.564 177.584 0.036 0.000 1.181 422 A CA 1.853 53.916 52.037 0.044 0.000 0.623 422 A CB -0.821 18.197 19.000 0.029 0.000 0.818 422 A HN 1.702 nan 8.150 nan 0.000 0.443 423 L N -1.322 119.931 121.223 0.050 0.000 1.994 423 L HA -0.218 4.123 4.340 0.001 0.000 0.208 423 L C 2.578 179.478 176.870 0.049 0.000 1.071 423 L CA 2.519 57.381 54.840 0.037 0.000 0.745 423 L CB -0.826 41.255 42.059 0.037 0.000 0.892 423 L HN 0.645 nan 8.230 nan 0.000 0.431 424 H N -0.105 118.960 119.070 -0.008 0.000 2.289 424 H HA -0.183 4.374 4.556 0.001 0.000 0.296 424 H C 2.143 177.464 175.328 -0.013 0.000 1.091 424 H CA 2.163 58.204 56.048 -0.011 0.000 1.274 424 H CB 0.116 29.879 29.762 0.001 0.000 1.364 424 H HN 0.474 nan 8.280 nan 0.000 0.490 425 S N 0.307 115.966 115.700 -0.067 0.000 2.402 425 S HA -0.142 4.328 4.470 0.001 0.000 0.229 425 S C 1.873 176.388 174.600 -0.140 0.000 1.021 425 S CA 1.088 59.209 58.200 -0.132 0.000 0.974 425 S CB -0.279 62.916 63.200 -0.009 0.000 0.800 425 S HN 0.668 nan 8.310 nan 0.000 0.484 426 D N 1.852 122.190 120.400 -0.103 0.000 2.117 426 D HA -0.143 4.497 4.640 0.001 0.000 0.197 426 D C 1.925 178.137 176.300 -0.146 0.000 0.987 426 D CA 0.963 54.894 54.000 -0.114 0.000 0.829 426 D CB -0.468 40.292 40.800 -0.065 0.000 0.961 426 D HN 0.302 nan 8.370 nan 0.000 0.460 427 L N 0.501 121.636 121.223 -0.147 0.000 2.046 427 L HA -0.144 4.197 4.340 0.001 0.000 0.208 427 L C 2.888 179.627 176.870 -0.218 0.000 1.077 427 L CA 0.881 55.625 54.840 -0.159 0.000 0.747 427 L CB -0.499 41.480 42.059 -0.132 0.000 0.896 427 L HN 0.045 nan 8.230 nan 0.000 0.432 428 V N -0.655 119.087 119.914 -0.286 0.000 2.282 428 V HA -0.303 3.817 4.120 0.001 0.000 0.249 428 V C 2.462 178.447 176.094 -0.181 0.000 1.057 428 V CA 1.660 63.830 62.300 -0.217 0.000 1.032 428 V CB -0.319 31.428 31.823 -0.126 0.000 0.645 428 V HN 0.215 nan 8.190 nan 0.000 0.447 429 V N -0.824 118.924 119.914 -0.277 0.000 2.407 429 V HA -0.134 3.987 4.120 0.001 0.000 0.245 429 V C 2.329 178.264 176.094 -0.264 0.000 1.041 429 V CA 1.797 63.819 62.300 -0.463 0.000 1.040 429 V CB -0.334 31.105 31.823 -0.641 0.000 0.671 429 V HN 0.545 nan 8.190 nan 0.000 0.455 430 K N -0.747 119.541 120.400 -0.187 0.000 2.202 430 K HA 0.026 4.346 4.320 0.001 0.000 0.201 430 K C 1.198 177.731 176.600 -0.112 0.000 1.051 430 K CA 1.062 57.282 56.287 -0.112 0.000 0.977 430 K CB 0.061 32.511 32.500 -0.084 0.000 0.792 430 K HN 0.383 nan 8.250 nan 0.000 0.469 431 D N -0.086 120.227 120.400 -0.145 0.000 2.454 431 D HA 0.031 4.672 4.640 0.001 0.000 0.214 431 D C 1.448 177.622 176.300 -0.211 0.000 1.088 431 D CA 0.182 54.093 54.000 -0.148 0.000 0.855 431 D CB 0.504 41.226 40.800 -0.129 0.000 1.025 431 D HN -0.037 nan 8.370 nan 0.000 0.502 432 L N -0.954 120.089 121.223 -0.300 0.000 2.347 432 L HA 0.240 4.581 4.340 0.001 0.000 0.196 432 L C 0.098 176.585 176.870 -0.638 0.000 1.072 432 L CA 1.050 55.549 54.840 -0.568 0.000 0.817 432 L CB 0.256 41.874 42.059 -0.735 0.000 1.029 432 L HN -0.194 nan 8.230 nan 0.000 0.478 433 F N -0.037 119.922 119.950 0.015 0.000 2.688 433 F HA 0.388 4.916 4.527 0.001 0.000 0.376 433 F C -1.699 174.088 175.800 -0.022 0.000 1.428 433 F CA -2.002 56.057 58.000 0.098 0.000 1.156 433 F CB -0.305 38.962 39.000 0.446 0.000 1.141 433 F HN -0.020 nan 8.300 nan 0.000 0.521 434 P HA -0.172 nan 4.420 nan 0.000 0.215 434 P C 0.965 178.327 177.300 0.103 0.000 1.153 434 P CA 1.710 64.838 63.100 0.047 0.000 0.853 434 P CB 0.475 32.170 31.700 -0.008 0.000 0.788 435 E N -0.902 119.307 120.200 0.015 0.000 2.072 435 E HA -0.166 4.185 4.350 0.001 0.000 0.191 435 E C 2.191 178.914 176.600 0.204 0.000 0.985 435 E CA 1.091 57.509 56.400 0.029 0.000 0.801 435 E CB -1.076 28.419 29.700 -0.342 0.000 0.750 435 E HN 0.270 nan 8.360 nan 0.000 0.452 436 Y N 0.431 120.897 120.300 0.275 0.000 2.165 436 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 436 Y C 2.421 178.615 175.900 0.491 0.000 1.155 436 Y CA 1.533 59.876 58.100 0.404 0.000 1.164 436 Y CB -0.988 37.868 38.460 0.661 0.000 0.978 436 Y HN 0.337 nan 8.280 nan 0.000 0.513 437 H N -0.041 119.245 119.070 0.360 0.000 2.353 437 H HA -0.220 4.337 4.556 0.001 0.000 0.300 437 H C 2.310 177.763 175.328 0.208 0.000 1.090 437 H CA 1.621 57.771 56.048 0.169 0.000 1.327 437 H CB 0.040 29.664 29.762 -0.231 0.000 1.383 437 H HN 0.438 nan 8.280 nan 0.000 0.508 438 Q N 0.568 120.392 119.800 0.039 0.000 2.061 438 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 438 Q C 2.660 178.644 176.000 -0.027 0.000 0.984 438 Q CA 1.562 57.344 55.803 -0.035 0.000 0.846 438 Q CB 0.013 28.809 28.738 0.097 0.000 0.902 438 Q HN 0.530 nan 8.270 nan 0.000 0.421 439 L N -0.734 120.480 121.223 -0.015 0.000 2.083 439 L HA -0.133 4.208 4.340 0.001 0.000 0.209 439 L C 0.523 177.207 176.870 -0.311 0.000 1.083 439 L CA 0.697 55.353 54.840 -0.306 0.000 0.752 439 L CB -0.051 41.575 42.059 -0.723 0.000 0.899 439 L HN 0.364 nan 8.230 nan 0.000 0.433 440 W N -0.689 120.787 121.300 0.294 0.000 2.481 440 W HA 0.283 4.944 4.660 0.001 0.000 0.285 440 W C -2.039 174.660 176.519 0.299 0.000 1.017 440 W CA -1.737 55.766 57.345 0.265 0.000 1.499 440 W CB -0.005 29.615 29.460 0.267 0.000 1.381 440 W HN -0.094 nan 8.180 nan 0.000 0.390 441 P HA -0.152 nan 4.420 nan 0.000 0.215 441 P C 1.046 178.568 177.300 0.371 0.000 1.157 441 P CA 1.588 64.824 63.100 0.226 0.000 0.859 441 P CB 0.454 32.182 31.700 0.048 0.000 0.786 442 N N 0.130 118.991 118.700 0.268 0.000 2.609 442 N HA -0.097 4.644 4.740 0.001 0.000 0.190 442 N C 1.609 177.186 175.510 0.113 0.000 1.157 442 N CA 0.512 53.672 53.050 0.183 0.000 0.918 442 N CB -0.272 38.317 38.487 0.169 0.000 0.978 442 N HN 0.376 nan 8.380 nan 0.000 0.448 443 K N -0.032 120.484 120.400 0.194 0.000 2.228 443 K HA 0.017 4.338 4.320 0.001 0.000 0.202 443 K C -0.196 176.207 176.600 -0.329 0.000 1.051 443 K CA 0.489 56.760 56.287 -0.027 0.000 0.960 443 K CB 0.179 32.642 32.500 -0.062 0.000 0.743 443 K HN -0.117 nan 8.250 nan 0.000 0.458 444 F N 1.182 121.015 119.950 -0.194 0.000 2.399 444 F HA 0.344 4.871 4.527 0.001 0.000 0.334 444 F C 0.594 176.071 175.800 -0.537 0.000 1.097 444 F CA -0.537 57.315 58.000 -0.246 0.000 1.076 444 F CB 1.134 40.066 39.000 -0.113 0.000 1.162 444 F HN 0.023 nan 8.300 nan 0.000 0.495 445 H N 0.693 119.836 119.070 0.123 0.000 2.960 445 H HA 0.289 4.845 4.556 0.001 0.000 0.338 445 H C -1.218 174.102 175.328 -0.014 0.000 1.261 445 H CA -1.021 55.037 56.048 0.017 0.000 1.136 445 H CB 2.287 32.010 29.762 -0.065 0.000 1.875 445 H HN 0.504 nan 8.280 nan 0.000 0.550 446 N N 0.684 119.435 118.700 0.086 0.000 2.319 446 N HA 0.402 5.142 4.740 0.001 0.000 0.305 446 N C -1.630 173.812 175.510 -0.112 0.000 1.103 446 N CA -0.390 52.661 53.050 0.002 0.000 0.815 446 N CB 2.179 40.669 38.487 0.005 0.000 1.288 446 N HN 0.206 nan 8.380 nan 0.000 0.493 447 V N 1.963 121.779 119.914 -0.163 0.000 2.567 447 V HA 0.209 4.329 4.120 0.001 0.000 0.298 447 V C -0.145 175.893 176.094 -0.094 0.000 1.047 447 V CA -0.751 61.365 62.300 -0.307 0.000 0.880 447 V CB 1.470 32.760 31.823 -0.888 0.000 1.009 447 V HN 0.661 nan 8.190 nan 0.000 0.429 448 T N 4.780 119.320 114.554 -0.023 0.000 2.834 448 T HA 0.171 4.522 4.350 0.001 0.000 0.298 448 T C 0.586 175.399 174.700 0.187 0.000 0.966 448 T CA -0.029 62.127 62.100 0.095 0.000 1.141 448 T CB 0.080 69.010 68.868 0.103 0.000 0.905 448 T HN 0.636 nan 8.240 nan 0.000 0.535 449 N N 1.502 120.349 118.700 0.246 0.000 2.239 449 N HA 0.329 5.069 4.740 0.001 0.000 0.225 449 N C 0.540 176.252 175.510 0.337 0.000 1.283 449 N CA 0.476 53.725 53.050 0.332 0.000 0.868 449 N CB 0.343 38.949 38.487 0.199 0.000 1.098 449 N HN 0.882 nan 8.380 nan 0.000 0.436 450 G N -1.343 107.677 108.800 0.366 0.000 2.645 450 G HA2 0.604 4.564 3.960 0.001 0.000 0.292 450 G HA3 0.604 4.564 3.960 0.001 0.000 0.292 450 G C -1.405 173.640 174.900 0.242 0.000 1.415 450 G CA -0.654 44.637 45.100 0.317 0.000 0.785 450 G HN 0.571 nan 8.290 nan 0.000 0.483 451 I N -2.408 118.294 120.570 0.220 0.000 2.828 451 I HA 0.788 4.959 4.170 0.001 0.000 0.302 451 I C -0.084 176.211 176.117 0.298 0.000 1.101 451 I CA -0.984 60.439 61.300 0.205 0.000 1.031 451 I CB 2.278 40.302 38.000 0.041 0.000 1.231 451 I HN 0.503 nan 8.210 nan 0.000 0.427 452 T N 4.333 119.126 114.554 0.399 0.000 2.780 452 T HA 0.468 4.819 4.350 0.001 0.000 0.294 452 T C -1.665 173.187 174.700 0.253 0.000 0.949 452 T CA -1.610 60.648 62.100 0.264 0.000 1.074 452 T CB 0.848 69.807 68.868 0.151 0.000 0.910 452 T HN 0.623 nan 8.240 nan 0.000 0.501 453 P HA 0.022 nan 4.420 nan 0.000 0.223 453 P C 1.261 178.589 177.300 0.047 0.000 1.151 453 P CA 0.529 63.732 63.100 0.171 0.000 0.787 453 P CB 0.274 32.076 31.700 0.170 0.000 0.788 454 R N 0.018 120.462 120.500 -0.092 0.000 2.064 454 R HA -0.033 4.308 4.340 0.001 0.000 0.228 454 R C 2.604 178.807 176.300 -0.162 0.000 1.144 454 R CA 1.576 57.562 56.100 -0.190 0.000 0.932 454 R CB -1.250 28.918 30.300 -0.219 0.000 0.833 454 R HN 0.059 nan 8.270 nan 0.000 0.429 455 R N -0.739 119.605 120.500 -0.259 0.000 2.073 455 R HA -0.146 4.195 4.340 0.001 0.000 0.234 455 R C 1.441 177.466 176.300 -0.458 0.000 1.134 455 R CA 1.928 57.722 56.100 -0.510 0.000 0.952 455 R CB -0.259 29.492 30.300 -0.914 0.000 0.850 455 R HN 0.321 nan 8.270 nan 0.000 0.433 456 W N -0.649 120.657 121.300 0.010 0.000 3.256 456 W HA 0.250 4.911 4.660 0.001 0.000 0.269 456 W C 1.234 177.776 176.519 0.040 0.000 1.310 456 W CA -0.458 56.900 57.345 0.021 0.000 1.673 456 W CB 0.390 29.866 29.460 0.027 0.000 1.115 456 W HN 0.126 nan 8.180 nan 0.000 0.686 457 I N -1.473 119.229 120.570 0.219 0.000 3.669 457 I HA 0.022 4.193 4.170 0.001 0.000 0.255 457 I C 2.118 178.329 176.117 0.158 0.000 1.144 457 I CA -0.023 61.393 61.300 0.193 0.000 1.447 457 I CB -0.342 37.809 38.000 0.253 0.000 1.622 457 I HN -0.411 nan 8.210 nan 0.000 0.435 458 K N 1.324 121.833 120.400 0.182 0.000 2.044 458 K HA -0.278 4.043 4.320 0.001 0.000 0.210 458 K C 2.172 178.767 176.600 -0.010 0.000 1.049 458 K CA 2.156 58.505 56.287 0.103 0.000 0.927 458 K CB -0.056 32.415 32.500 -0.048 0.000 0.713 458 K HN 0.250 nan 8.250 nan 0.000 0.443 459 Q N -0.445 119.316 119.800 -0.065 0.000 2.061 459 Q HA -0.113 4.228 4.340 0.001 0.000 0.195 459 Q C 2.383 178.326 176.000 -0.094 0.000 0.967 459 Q CA 1.577 57.313 55.803 -0.113 0.000 0.829 459 Q CB 0.006 28.651 28.738 -0.155 0.000 0.900 459 Q HN 0.666 nan 8.270 nan 0.000 0.450 460 C N 0.019 119.276 119.300 -0.071 0.000 2.481 460 C HA 0.197 4.657 4.460 0.001 0.000 0.275 460 C C 1.069 176.053 174.990 -0.010 0.000 1.419 460 C CA -0.108 58.889 59.018 -0.035 0.000 1.773 460 C CB -0.627 27.124 27.740 0.018 0.000 1.862 460 C HN 0.334 nan 8.230 nan 0.000 0.530 461 N N 1.080 119.780 118.700 0.000 0.000 2.723 461 N HA 0.292 5.033 4.740 0.001 0.000 0.290 461 N C -1.801 173.700 175.510 -0.015 0.000 1.882 461 N CA -1.626 51.417 53.050 -0.012 0.000 0.851 461 N CB 0.741 39.226 38.487 -0.004 0.000 1.234 461 N HN 0.263 nan 8.380 nan 0.000 0.491 462 P HA -0.069 nan 4.420 nan 0.000 0.218 462 P C 1.002 178.287 177.300 -0.026 0.000 1.149 462 P CA 0.810 63.891 63.100 -0.032 0.000 0.817 462 P CB 0.431 32.081 31.700 -0.083 0.000 0.785 463 A N -0.300 122.489 122.820 -0.051 0.000 1.929 463 A HA -0.095 4.225 4.320 0.001 0.000 0.216 463 A C 2.174 179.702 177.584 -0.095 0.000 1.176 463 A CA 1.006 53.002 52.037 -0.068 0.000 0.628 463 A CB -1.505 17.447 19.000 -0.081 0.000 0.816 463 A HN 0.146 nan 8.150 nan 0.000 0.444 464 L N 0.091 121.245 121.223 -0.116 0.000 2.017 464 L HA -0.076 4.265 4.340 0.001 0.000 0.208 464 L C 2.662 179.466 176.870 -0.110 0.000 1.073 464 L CA 2.238 56.983 54.840 -0.159 0.000 0.745 464 L CB -0.946 41.001 42.059 -0.186 0.000 0.894 464 L HN 0.343 nan 8.230 nan 0.000 0.432 465 A N -0.371 122.448 122.820 -0.002 0.000 1.917 465 A HA -0.234 4.087 4.320 0.001 0.000 0.219 465 A C 2.456 180.160 177.584 0.199 0.000 1.182 465 A CA 2.367 54.519 52.037 0.193 0.000 0.633 465 A CB -1.304 17.905 19.000 0.348 0.000 0.819 465 A HN 0.627 nan 8.150 nan 0.000 0.448 466 A N -0.865 122.007 122.820 0.087 0.000 1.898 466 A HA 0.018 4.338 4.320 0.001 0.000 0.216 466 A C 2.123 179.725 177.584 0.031 0.000 1.181 466 A CA 1.675 53.754 52.037 0.069 0.000 0.620 466 A CB -0.576 18.434 19.000 0.017 0.000 0.819 466 A HN 0.728 nan 8.150 nan 0.000 0.442 467 L N -0.007 121.189 121.223 -0.044 0.000 2.083 467 L HA -0.102 4.238 4.340 0.001 0.000 0.209 467 L C 2.238 179.060 176.870 -0.080 0.000 1.083 467 L CA 1.578 56.361 54.840 -0.096 0.000 0.752 467 L CB -0.507 41.434 42.059 -0.197 0.000 0.899 467 L HN 0.412 nan 8.230 nan 0.000 0.433 468 L N -0.797 120.347 121.223 -0.132 0.000 2.046 468 L HA -0.225 4.116 4.340 0.001 0.000 0.208 468 L C 2.298 179.166 176.870 -0.004 0.000 1.077 468 L CA 1.438 56.116 54.840 -0.269 0.000 0.747 468 L CB -1.001 40.511 42.059 -0.912 0.000 0.896 468 L HN 0.278 nan 8.230 nan 0.000 0.432 469 D N 0.256 120.804 120.400 0.245 0.000 2.104 469 D HA -0.221 4.419 4.640 0.001 0.000 0.194 469 D C 2.109 178.501 176.300 0.152 0.000 0.994 469 D CA 1.325 55.511 54.000 0.310 0.000 0.830 469 D CB -0.119 40.833 40.800 0.253 0.000 0.959 469 D HN 0.233 nan 8.370 nan 0.000 0.452 470 K N 0.369 120.818 120.400 0.081 0.000 2.211 470 K HA -0.035 4.285 4.320 0.001 0.000 0.203 470 K C 1.746 178.356 176.600 0.017 0.000 1.050 470 K CA 1.003 57.318 56.287 0.047 0.000 0.945 470 K CB 0.186 32.699 32.500 0.022 0.000 0.732 470 K HN -0.070 nan 8.250 nan 0.000 0.451 471 S N 0.175 115.842 115.700 -0.055 0.000 2.470 471 S HA 0.176 4.647 4.470 0.001 0.000 0.222 471 S C 0.397 174.972 174.600 -0.043 0.000 1.024 471 S CA -0.020 58.055 58.200 -0.209 0.000 0.931 471 S CB 0.257 63.104 63.200 -0.588 0.000 0.791 471 S HN 0.129 nan 8.310 nan 0.000 0.513 472 L N 1.792 123.036 121.223 0.035 0.000 2.325 472 L HA 0.392 4.733 4.340 0.001 0.000 0.278 472 L C 1.395 178.347 176.870 0.136 0.000 1.023 472 L CA -0.475 54.428 54.840 0.104 0.000 0.811 472 L CB 1.243 43.373 42.059 0.117 0.000 1.249 472 L HN 0.018 nan 8.230 nan 0.000 0.431 473 Q N 2.454 122.329 119.800 0.124 0.000 2.046 473 Q HA -0.017 4.323 4.340 0.001 0.000 0.200 473 Q C 0.070 176.134 176.000 0.108 0.000 0.975 473 Q CA 1.320 57.186 55.803 0.105 0.000 0.836 473 Q CB 0.404 29.193 28.738 0.084 0.000 0.896 473 Q HN 0.523 nan 8.270 nan 0.000 0.428 474 K N 1.360 121.832 120.400 0.120 0.000 2.106 474 K HA 0.150 4.471 4.320 0.001 0.000 0.246 474 K C -0.381 176.313 176.600 0.156 0.000 0.987 474 K CA -0.562 55.793 56.287 0.113 0.000 0.904 474 K CB 0.916 33.471 32.500 0.092 0.000 1.071 474 K HN -0.024 nan 8.250 nan 0.000 0.453 475 E N 2.059 122.315 120.200 0.093 0.000 2.465 475 E HA -0.123 4.228 4.350 0.001 0.000 0.260 475 E C 0.145 176.784 176.600 0.065 0.000 0.980 475 E CA 0.359 56.772 56.400 0.021 0.000 0.927 475 E CB 0.291 29.974 29.700 -0.028 0.000 0.934 475 E HN 0.624 nan 8.360 nan 0.000 0.459 476 W N 3.659 124.978 121.300 0.031 0.000 2.993 476 W HA 0.373 5.034 4.660 0.001 0.000 0.290 476 W C 0.852 177.354 176.519 -0.028 0.000 1.203 476 W CA 0.335 57.685 57.345 0.009 0.000 1.582 476 W CB -0.491 28.976 29.460 0.012 0.000 1.033 476 W HN 0.575 nan 8.180 nan 0.000 0.594 477 A N 2.831 125.153 122.820 -0.829 0.000 2.014 477 A HA -0.203 4.118 4.320 0.001 0.000 0.218 477 A C 1.508 178.790 177.584 -0.505 0.000 1.163 477 A CA 1.736 53.218 52.037 -0.926 0.000 0.652 477 A CB -0.948 17.203 19.000 -1.416 0.000 0.808 477 A HN 0.371 nan 8.150 nan 0.000 0.449 478 N N -1.241 117.278 118.700 -0.302 0.000 2.338 478 N HA 0.165 4.905 4.740 0.001 0.000 0.251 478 N C -0.897 174.608 175.510 -0.009 0.000 1.199 478 N CA 0.172 53.159 53.050 -0.105 0.000 0.879 478 N CB 0.417 38.908 38.487 0.008 0.000 1.159 478 N HN 0.132 nan 8.380 nan 0.000 0.514 479 D N 0.175 120.589 120.400 0.024 0.000 3.118 479 D HA 0.091 4.732 4.640 0.001 0.000 0.259 479 D C 0.166 176.546 176.300 0.134 0.000 1.292 479 D CA -0.402 53.641 54.000 0.072 0.000 0.784 479 D CB 0.092 40.932 40.800 0.066 0.000 1.413 479 D HN -0.015 nan 8.370 nan 0.000 0.583 480 L N 0.977 122.281 121.223 0.135 0.000 2.275 480 L HA 0.044 4.385 4.340 0.001 0.000 0.215 480 L C 1.485 178.423 176.870 0.113 0.000 1.119 480 L CA 1.456 56.402 54.840 0.177 0.000 0.790 480 L CB -0.082 42.073 42.059 0.160 0.000 0.919 480 L HN 0.219 nan 8.230 nan 0.000 0.443 481 D N -0.583 119.859 120.400 0.071 0.000 2.203 481 D HA -0.226 4.414 4.640 0.001 0.000 0.199 481 D C 1.903 178.233 176.300 0.050 0.000 0.997 481 D CA 0.889 54.911 54.000 0.037 0.000 0.863 481 D CB 0.029 40.840 40.800 0.019 0.000 0.928 481 D HN 0.425 nan 8.370 nan 0.000 0.458 482 Q N -0.032 119.821 119.800 0.088 0.000 2.308 482 Q HA -0.147 4.193 4.340 0.001 0.000 0.209 482 Q C 2.179 178.219 176.000 0.066 0.000 0.985 482 Q CA 0.412 56.274 55.803 0.097 0.000 0.881 482 Q CB -0.301 28.535 28.738 0.165 0.000 0.917 482 Q HN 0.315 nan 8.270 nan 0.000 0.443 483 L N 0.118 121.369 121.223 0.046 0.000 2.265 483 L HA -0.143 4.197 4.340 0.001 0.000 0.215 483 L C 2.108 178.972 176.870 -0.010 0.000 1.117 483 L CA 0.823 55.654 54.840 -0.014 0.000 0.782 483 L CB -0.780 41.263 42.059 -0.027 0.000 0.914 483 L HN 0.182 nan 8.230 nan 0.000 0.441 484 I N 0.127 120.697 120.570 0.001 0.000 2.335 484 I HA -0.290 3.881 4.170 0.001 0.000 0.251 484 I C 1.929 178.043 176.117 -0.006 0.000 1.129 484 I CA 1.323 62.617 61.300 -0.010 0.000 1.402 484 I CB -0.452 37.540 38.000 -0.013 0.000 1.069 484 I HN 0.368 nan 8.210 nan 0.000 0.424 485 N N 0.398 119.106 118.700 0.015 0.000 2.635 485 N HA -0.099 4.641 4.740 0.001 0.000 0.191 485 N C 1.640 177.199 175.510 0.082 0.000 1.155 485 N CA 0.650 53.722 53.050 0.036 0.000 0.927 485 N CB -0.165 38.360 38.487 0.063 0.000 0.976 485 N HN 0.453 nan 8.380 nan 0.000 0.448 486 L N 0.519 121.768 121.223 0.044 0.000 2.509 486 L HA 0.021 4.361 4.340 0.001 0.000 0.222 486 L C 1.924 178.785 176.870 -0.016 0.000 1.123 486 L CA 0.348 55.218 54.840 0.051 0.000 0.856 486 L CB -0.019 42.015 42.059 -0.043 0.000 0.985 486 L HN 0.107 nan 8.230 nan 0.000 0.456 487 E N 0.997 121.167 120.200 -0.050 0.000 2.070 487 E HA -0.297 4.054 4.350 0.001 0.000 0.197 487 E C 1.912 178.425 176.600 -0.145 0.000 1.004 487 E CA 1.935 58.279 56.400 -0.094 0.000 0.805 487 E CB -0.023 29.629 29.700 -0.080 0.000 0.744 487 E HN 0.545 nan 8.360 nan 0.000 0.451 488 K N -0.099 120.187 120.400 -0.190 0.000 2.362 488 K HA -0.085 4.236 4.320 0.001 0.000 0.200 488 K C 1.550 177.901 176.600 -0.416 0.000 1.046 488 K CA 1.058 57.170 56.287 -0.292 0.000 0.952 488 K CB -0.152 32.140 32.500 -0.347 0.000 0.753 488 K HN 0.013 nan 8.250 nan 0.000 0.466 489 F N 1.724 121.433 119.950 -0.402 0.000 2.456 489 F HA 0.140 4.668 4.527 0.001 0.000 0.298 489 F C 2.495 177.975 175.800 -0.533 0.000 1.104 489 F CA 0.568 58.174 58.000 -0.657 0.000 1.435 489 F CB -0.235 37.946 39.000 -1.365 0.000 1.078 489 F HN 0.119 nan 8.300 nan 0.000 0.546 490 A N -0.361 122.329 122.820 -0.218 0.000 2.024 490 A HA -0.197 4.124 4.320 0.001 0.000 0.220 490 A C 1.838 179.382 177.584 -0.066 0.000 1.164 490 A CA 1.955 53.925 52.037 -0.112 0.000 0.643 490 A CB -0.611 18.317 19.000 -0.120 0.000 0.806 490 A HN 0.271 nan 8.150 nan 0.000 0.451 491 D N -0.199 120.139 120.400 -0.102 0.000 2.349 491 D HA -0.022 4.619 4.640 0.001 0.000 0.224 491 D C -0.084 176.191 176.300 -0.042 0.000 1.029 491 D CA 0.353 54.307 54.000 -0.077 0.000 0.879 491 D CB 0.082 40.818 40.800 -0.108 0.000 0.906 491 D HN 0.456 nan 8.370 nan 0.000 0.528 492 D N 0.427 120.824 120.400 -0.005 0.000 2.373 492 D HA 0.269 4.910 4.640 0.001 0.000 0.227 492 D C 0.911 177.293 176.300 0.137 0.000 1.091 492 D CA -0.418 53.622 54.000 0.066 0.000 0.840 492 D CB 1.731 42.605 40.800 0.122 0.000 1.060 492 D HN -0.118 nan 8.370 nan 0.000 0.502 493 A N 5.366 128.239 122.820 0.090 0.000 1.933 493 A HA -0.163 4.157 4.320 0.001 0.000 0.218 493 A C 2.083 179.732 177.584 0.108 0.000 1.175 493 A CA 1.008 53.096 52.037 0.084 0.000 0.628 493 A CB -0.112 18.917 19.000 0.049 0.000 0.814 493 A HN 0.506 nan 8.150 nan 0.000 0.444 494 K N -1.159 119.313 120.400 0.121 0.000 2.026 494 K HA -0.126 4.194 4.320 0.001 0.000 0.208 494 K C 1.754 178.443 176.600 0.148 0.000 1.048 494 K CA 1.440 57.797 56.287 0.116 0.000 0.929 494 K CB -0.632 31.933 32.500 0.108 0.000 0.713 494 K HN 0.497 nan 8.250 nan 0.000 0.439 495 F N 2.264 122.267 119.950 0.088 0.000 2.043 495 F HA -0.282 4.246 4.527 0.001 0.000 0.297 495 F C 2.443 178.291 175.800 0.078 0.000 1.121 495 F CA 1.770 59.825 58.000 0.091 0.000 1.199 495 F CB -0.217 38.885 39.000 0.170 0.000 0.968 495 F HN -0.010 nan 8.300 nan 0.000 0.478 496 R N -0.169 120.539 120.500 0.347 0.000 2.134 496 R HA -0.306 4.035 4.340 0.001 0.000 0.248 496 R C 2.362 178.718 176.300 0.092 0.000 1.143 496 R CA 2.228 58.444 56.100 0.193 0.000 0.957 496 R CB -0.931 29.452 30.300 0.138 0.000 0.867 496 R HN 0.533 nan 8.270 nan 0.000 0.441 497 Q N 0.627 120.464 119.800 0.062 0.000 2.167 497 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 497 Q C 1.963 177.955 176.000 -0.015 0.000 0.970 497 Q CA 1.355 57.173 55.803 0.026 0.000 0.855 497 Q CB 0.150 28.901 28.738 0.023 0.000 0.911 497 Q HN 0.456 nan 8.270 nan 0.000 0.438 498 Q N -0.887 118.873 119.800 -0.066 0.000 2.083 498 Q HA -0.180 4.161 4.340 0.001 0.000 0.198 498 Q C 1.749 177.653 176.000 -0.159 0.000 0.969 498 Q CA 1.433 57.155 55.803 -0.134 0.000 0.838 498 Q CB -0.110 28.500 28.738 -0.213 0.000 0.900 498 Q HN 0.444 nan 8.270 nan 0.000 0.436 499 Y N 1.241 121.330 120.300 -0.353 0.000 2.145 499 Y HA -0.242 4.309 4.550 0.001 0.000 0.286 499 Y C 2.420 178.244 175.900 -0.127 0.000 1.145 499 Y CA 1.902 59.824 58.100 -0.297 0.000 1.148 499 Y CB -0.049 38.222 38.460 -0.316 0.000 0.981 499 Y HN -0.066 nan 8.280 nan 0.000 0.507 500 R N 0.397 120.985 120.500 0.146 0.000 2.096 500 R HA -0.190 4.150 4.340 0.001 0.000 0.235 500 R C 2.027 178.316 176.300 -0.018 0.000 1.127 500 R CA 1.995 58.152 56.100 0.096 0.000 0.968 500 R CB -0.348 30.001 30.300 0.082 0.000 0.861 500 R HN 0.445 nan 8.270 nan 0.000 0.440 501 E N 0.290 120.463 120.200 -0.045 0.000 2.106 501 E HA -0.150 4.201 4.350 0.001 0.000 0.192 501 E C 1.948 178.490 176.600 -0.097 0.000 0.984 501 E CA 1.457 57.818 56.400 -0.065 0.000 0.806 501 E CB -0.030 29.635 29.700 -0.059 0.000 0.750 501 E HN 0.396 nan 8.360 nan 0.000 0.458 502 I N 0.772 121.254 120.570 -0.147 0.000 2.179 502 I HA -0.288 3.882 4.170 0.001 0.000 0.242 502 I C 2.368 178.386 176.117 -0.165 0.000 1.088 502 I CA 0.989 62.182 61.300 -0.179 0.000 1.357 502 I CB -0.129 37.711 38.000 -0.266 0.000 1.051 502 I HN -0.001 nan 8.210 nan 0.000 0.409 503 K N 0.703 120.992 120.400 -0.186 0.000 2.032 503 K HA -0.230 4.091 4.320 0.001 0.000 0.209 503 K C 2.155 178.690 176.600 -0.107 0.000 1.048 503 K CA 1.693 57.903 56.287 -0.128 0.000 0.927 503 K CB -0.285 32.176 32.500 -0.065 0.000 0.712 503 K HN 0.186 nan 8.250 nan 0.000 0.441 504 Q N -0.332 119.408 119.800 -0.100 0.000 2.084 504 Q HA -0.050 4.291 4.340 0.001 0.000 0.202 504 Q C 2.125 178.074 176.000 -0.085 0.000 0.978 504 Q CA 1.661 57.398 55.803 -0.110 0.000 0.844 504 Q CB -0.428 28.258 28.738 -0.087 0.000 0.898 504 Q HN 0.446 nan 8.270 nan 0.000 0.426 505 A N 1.559 124.339 122.820 -0.067 0.000 1.902 505 A HA -0.200 4.121 4.320 0.001 0.000 0.217 505 A C 1.843 179.413 177.584 -0.024 0.000 1.181 505 A CA 1.488 53.500 52.037 -0.042 0.000 0.623 505 A CB -0.468 18.505 19.000 -0.045 0.000 0.818 505 A HN 0.320 nan 8.150 nan 0.000 0.443 506 N N 0.259 118.936 118.700 -0.037 0.000 2.104 506 N HA -0.156 4.584 4.740 0.001 0.000 0.190 506 N C 1.584 177.121 175.510 0.046 0.000 1.024 506 N CA 1.686 54.732 53.050 -0.006 0.000 0.853 506 N CB -0.361 38.113 38.487 -0.023 0.000 1.008 506 N HN 0.586 nan 8.380 nan 0.000 0.424 507 K N 0.262 120.657 120.400 -0.007 0.000 2.097 507 K HA 0.002 4.323 4.320 0.001 0.000 0.205 507 K C 1.976 178.678 176.600 0.171 0.000 1.050 507 K CA 0.612 56.909 56.287 0.018 0.000 0.938 507 K CB -0.035 32.167 32.500 -0.496 0.000 0.718 507 K HN -0.035 nan 8.250 nan 0.000 0.442 508 V N 1.152 121.109 119.914 0.072 0.000 2.379 508 V HA -0.199 3.922 4.120 0.001 0.000 0.245 508 V C 2.184 178.347 176.094 0.116 0.000 1.044 508 V CA 1.518 63.874 62.300 0.093 0.000 1.036 508 V CB -0.378 31.471 31.823 0.043 0.000 0.664 508 V HN 0.250 nan 8.190 nan 0.000 0.453 509 R N -0.589 119.968 120.500 0.095 0.000 2.091 509 R HA -0.182 4.158 4.340 0.001 0.000 0.238 509 R C 2.222 178.612 176.300 0.149 0.000 1.136 509 R CA 1.618 57.777 56.100 0.098 0.000 0.959 509 R CB -0.538 29.796 30.300 0.057 0.000 0.856 509 R HN 0.377 nan 8.270 nan 0.000 0.437 510 L N 0.655 121.989 121.223 0.185 0.000 2.046 510 L HA -0.102 4.239 4.340 0.001 0.000 0.208 510 L C 2.199 179.205 176.870 0.228 0.000 1.077 510 L CA 2.015 56.994 54.840 0.231 0.000 0.747 510 L CB -0.720 41.498 42.059 0.266 0.000 0.896 510 L HN 0.138 nan 8.230 nan 0.000 0.432 511 A N -0.888 122.064 122.820 0.219 0.000 1.940 511 A HA -0.262 4.059 4.320 0.001 0.000 0.219 511 A C 2.203 179.861 177.584 0.124 0.000 1.176 511 A CA 1.969 54.095 52.037 0.149 0.000 0.631 511 A CB -0.658 18.448 19.000 0.177 0.000 0.814 511 A HN 0.631 nan 8.150 nan 0.000 0.446 512 E N -1.591 118.694 120.200 0.142 0.000 2.051 512 E HA -0.167 4.183 4.350 0.001 0.000 0.192 512 E C 1.762 178.458 176.600 0.161 0.000 0.991 512 E CA 1.225 57.702 56.400 0.127 0.000 0.799 512 E CB -0.259 29.518 29.700 0.128 0.000 0.748 512 E HN 0.670 nan 8.360 nan 0.000 0.449 513 F N 1.203 121.181 119.950 0.046 0.000 2.069 513 F HA -0.240 4.288 4.527 0.001 0.000 0.298 513 F C 2.142 177.965 175.800 0.039 0.000 1.113 513 F CA 1.095 59.122 58.000 0.044 0.000 1.214 513 F CB -0.505 38.526 39.000 0.053 0.000 0.978 513 F HN -0.194 nan 8.300 nan 0.000 0.474 514 V N 0.835 120.783 119.914 0.057 0.000 2.282 514 V HA -0.368 3.753 4.120 0.001 0.000 0.249 514 V C 2.584 178.635 176.094 -0.072 0.000 1.057 514 V CA 2.414 64.683 62.300 -0.051 0.000 1.032 514 V CB -0.802 31.016 31.823 -0.008 0.000 0.645 514 V HN 0.330 nan 8.190 nan 0.000 0.447 515 K N -0.039 120.349 120.400 -0.020 0.000 2.026 515 K HA -0.172 4.149 4.320 0.001 0.000 0.208 515 K C 2.209 178.784 176.600 -0.043 0.000 1.048 515 K CA 1.900 58.177 56.287 -0.016 0.000 0.929 515 K CB -0.256 32.252 32.500 0.013 0.000 0.713 515 K HN 0.453 nan 8.250 nan 0.000 0.439 516 V N 0.339 120.217 119.914 -0.061 0.000 2.515 516 V HA -0.105 4.016 4.120 0.001 0.000 0.250 516 V C 1.892 177.907 176.094 -0.133 0.000 1.058 516 V CA 1.253 63.509 62.300 -0.073 0.000 1.064 516 V CB -0.368 31.434 31.823 -0.035 0.000 0.675 516 V HN 0.256 nan 8.190 nan 0.000 0.461 517 R N 0.995 121.348 120.500 -0.246 0.000 2.200 517 R HA 0.093 4.434 4.340 0.001 0.000 0.208 517 R C 2.045 178.273 176.300 -0.121 0.000 1.033 517 R CA 1.512 57.460 56.100 -0.254 0.000 1.000 517 R CB -0.388 29.630 30.300 -0.469 0.000 0.906 517 R HN 0.840 nan 8.270 nan 0.000 0.462 518 T N -6.361 108.145 114.554 -0.081 0.000 3.029 518 T HA 0.213 4.564 4.350 0.001 0.000 0.256 518 T C 1.306 176.001 174.700 -0.008 0.000 0.914 518 T CA 0.643 62.730 62.100 -0.021 0.000 0.880 518 T CB 0.871 69.741 68.868 0.004 0.000 1.246 518 T HN 0.234 nan 8.240 nan 0.000 0.523 519 G N 1.935 110.724 108.800 -0.017 0.000 2.205 519 G HA2 -0.213 3.748 3.960 0.001 0.000 0.261 519 G HA3 -0.213 3.748 3.960 0.001 0.000 0.261 519 G C 0.008 174.908 174.900 0.000 0.000 0.980 519 G CA 0.176 45.273 45.100 -0.005 0.000 0.632 519 G HN 0.709 nan 8.290 nan 0.000 0.533 520 I N 1.621 122.190 120.570 -0.001 0.000 2.416 520 I HA 0.282 4.453 4.170 0.001 0.000 0.288 520 I C 0.765 176.881 176.117 -0.000 0.000 1.051 520 I CA -0.324 60.975 61.300 -0.000 0.000 1.375 520 I CB 1.258 39.257 38.000 -0.002 0.000 1.407 520 I HN 0.265 nan 8.210 nan 0.000 0.516 521 E N 8.641 128.845 120.200 0.006 0.000 2.130 521 E HA 0.350 4.701 4.350 0.001 0.000 0.284 521 E C -0.884 175.724 176.600 0.013 0.000 1.018 521 E CA -0.594 55.815 56.400 0.015 0.000 0.817 521 E CB 0.892 30.604 29.700 0.020 0.000 1.078 521 E HN 0.621 nan 8.360 nan 0.000 0.396 522 I N 1.477 122.057 120.570 0.016 0.000 2.607 522 I HA 0.444 4.614 4.170 0.001 0.000 0.305 522 I C -0.261 175.905 176.117 0.081 0.000 0.995 522 I CA -1.208 60.099 61.300 0.012 0.000 1.148 522 I CB 1.544 39.494 38.000 -0.083 0.000 1.323 522 I HN 0.301 nan 8.210 nan 0.000 0.461 523 N N 6.197 124.958 118.700 0.101 0.000 2.415 523 N HA 0.310 5.051 4.740 0.001 0.000 0.246 523 N C -1.767 173.869 175.510 0.211 0.000 1.078 523 N CA -2.606 50.514 53.050 0.117 0.000 0.942 523 N CB 0.782 39.308 38.487 0.066 0.000 1.140 523 N HN 0.457 nan 8.380 nan 0.000 0.501 524 P HA -0.021 nan 4.420 nan 0.000 0.242 524 P C 0.382 177.636 177.300 -0.077 0.000 1.197 524 P CA 0.632 63.791 63.100 0.099 0.000 0.765 524 P CB 0.598 32.341 31.700 0.071 0.000 0.936 525 Q N -0.408 119.379 119.800 -0.021 0.000 2.356 525 Q HA 0.299 4.639 4.340 0.001 0.000 0.205 525 Q C 0.781 176.747 176.000 -0.056 0.000 0.901 525 Q CA -0.099 55.676 55.803 -0.045 0.000 0.938 525 Q CB -0.189 28.540 28.738 -0.016 0.000 1.081 525 Q HN 0.146 nan 8.270 nan 0.000 0.517 526 A N 0.188 122.985 122.820 -0.039 0.000 2.386 526 A HA 0.298 4.619 4.320 0.001 0.000 0.248 526 A C -0.268 177.176 177.584 -0.234 0.000 1.082 526 A CA -0.473 51.509 52.037 -0.092 0.000 0.789 526 A CB 0.092 19.096 19.000 0.007 0.000 1.025 526 A HN 0.363 nan 8.150 nan 0.000 0.490 527 I N 1.817 122.103 120.570 -0.473 0.000 2.662 527 I HA -0.048 4.122 4.170 0.001 0.000 0.285 527 I C -0.598 175.421 176.117 -0.162 0.000 1.161 527 I CA 0.339 61.272 61.300 -0.611 0.000 1.415 527 I CB -0.095 37.401 38.000 -0.839 0.000 1.385 527 I HN 0.351 nan 8.210 nan 0.000 0.552 528 F N 5.254 125.015 119.950 -0.314 0.000 2.405 528 F HA 0.169 4.697 4.527 0.001 0.000 0.358 528 F C 0.661 176.299 175.800 -0.270 0.000 1.151 528 F CA -0.884 56.968 58.000 -0.247 0.000 1.161 528 F CB -0.171 38.753 39.000 -0.126 0.000 1.245 528 F HN 0.391 nan 8.300 nan 0.000 0.545 529 D N 5.296 125.546 120.400 -0.250 0.000 2.373 529 D HA 0.347 4.987 4.640 0.001 0.000 0.227 529 D C -0.538 175.602 176.300 -0.267 0.000 1.091 529 D CA -0.120 53.689 54.000 -0.319 0.000 0.840 529 D CB 0.762 41.146 40.800 -0.693 0.000 1.060 529 D HN 0.356 nan 8.370 nan 0.000 0.502 530 I N 3.199 123.665 120.570 -0.175 0.000 2.389 530 I HA 0.207 4.377 4.170 0.001 0.000 0.288 530 I C -0.016 175.960 176.117 -0.236 0.000 0.999 530 I CA -0.664 60.510 61.300 -0.210 0.000 1.129 530 I CB 2.073 40.007 38.000 -0.110 0.000 1.288 530 I HN 0.176 nan 8.210 nan 0.000 0.444 531 Q N 7.915 127.480 119.800 -0.391 0.000 2.381 531 Q HA 0.536 4.877 4.340 0.001 0.000 0.263 531 Q C -1.083 174.734 176.000 -0.306 0.000 1.030 531 Q CA -0.593 55.017 55.803 -0.322 0.000 0.772 531 Q CB 1.375 29.901 28.738 -0.355 0.000 1.232 531 Q HN 0.705 nan 8.270 nan 0.000 0.476 532 I N 2.226 122.630 120.570 -0.276 0.000 2.537 532 I HA 0.547 4.718 4.170 0.001 0.000 0.276 532 I C -1.042 174.894 176.117 -0.302 0.000 1.063 532 I CA -0.647 60.378 61.300 -0.457 0.000 1.144 532 I CB 0.459 38.133 38.000 -0.544 0.000 1.252 532 I HN 0.374 nan 8.210 nan 0.000 0.480 533 K N 3.505 123.774 120.400 -0.218 0.000 2.617 533 K HA 0.464 4.784 4.320 0.001 0.000 0.293 533 K C -0.943 175.667 176.600 0.017 0.000 1.034 533 K CA -1.185 55.075 56.287 -0.046 0.000 0.884 533 K CB 1.548 34.024 32.500 -0.041 0.000 1.541 533 K HN 0.477 nan 8.250 nan 0.000 0.409 534 R N 0.822 121.363 120.500 0.068 0.000 2.678 534 R HA -0.028 4.312 4.340 0.001 0.000 0.264 534 R C -0.365 175.965 176.300 0.049 0.000 0.995 534 R CA -0.376 55.777 56.100 0.088 0.000 1.098 534 R CB 0.276 30.627 30.300 0.085 0.000 0.949 534 R HN 0.502 nan 8.270 nan 0.000 0.422 535 L N 5.883 127.149 121.223 0.072 0.000 2.342 535 L HA 0.210 4.550 4.340 0.001 0.000 0.285 535 L C -0.746 176.099 176.870 -0.042 0.000 1.095 535 L CA 0.596 55.432 54.840 -0.007 0.000 0.843 535 L CB 0.047 42.101 42.059 -0.008 0.000 1.201 535 L HN 0.705 nan 8.230 nan 0.000 0.445 536 H N 3.169 122.122 119.070 -0.196 0.000 2.961 536 H HA 0.134 4.690 4.556 0.001 0.000 0.371 536 H C 0.343 175.516 175.328 -0.260 0.000 1.190 536 H CA -0.383 55.548 56.048 -0.194 0.000 1.138 536 H CB 1.906 31.471 29.762 -0.328 0.000 1.816 536 H HN 0.691 nan 8.280 nan 0.000 0.551 537 E N 2.129 122.216 120.200 -0.188 0.000 2.070 537 E HA -0.260 4.091 4.350 0.001 0.000 0.197 537 E C 1.210 177.827 176.600 0.029 0.000 1.004 537 E CA 2.185 58.585 56.400 0.000 0.000 0.805 537 E CB -0.044 29.757 29.700 0.169 0.000 0.744 537 E HN 0.608 nan 8.360 nan 0.000 0.451 538 Y N -0.181 120.022 120.300 -0.162 0.000 2.561 538 Y HA 0.114 4.664 4.550 0.001 0.000 0.291 538 Y C 1.483 177.306 175.900 -0.129 0.000 1.141 538 Y CA 0.256 58.054 58.100 -0.503 0.000 1.303 538 Y CB 0.045 37.942 38.460 -0.938 0.000 1.015 538 Y HN -0.156 nan 8.280 nan 0.000 0.547 539 K N 1.446 121.590 120.400 -0.426 0.000 2.288 539 K HA 0.005 4.325 4.320 0.001 0.000 0.201 539 K C 0.297 176.881 176.600 -0.026 0.000 1.048 539 K CA 0.817 56.982 56.287 -0.203 0.000 0.956 539 K CB -0.283 32.078 32.500 -0.231 0.000 0.746 539 K HN 0.506 nan 8.250 nan 0.000 0.461 540 R N 0.788 121.332 120.500 0.073 0.000 3.332 540 R HA -0.188 4.153 4.340 0.001 0.000 0.263 540 R C 0.476 176.876 176.300 0.168 0.000 1.053 540 R CA 0.325 56.521 56.100 0.159 0.000 0.705 540 R CB -2.348 27.932 30.300 -0.034 0.000 1.166 540 R HN 0.226 nan 8.270 nan 0.000 0.427 541 Q N 0.433 120.351 119.800 0.197 0.000 2.197 541 Q HA -0.195 4.146 4.340 0.001 0.000 0.207 541 Q C 2.114 178.234 176.000 0.199 0.000 0.984 541 Q CA 2.176 58.089 55.803 0.183 0.000 0.869 541 Q CB -0.212 28.555 28.738 0.047 0.000 0.906 541 Q HN 0.743 nan 8.270 nan 0.000 0.426 542 H N -1.080 117.974 119.070 -0.027 0.000 2.428 542 H HA -0.027 4.529 4.556 0.001 0.000 0.296 542 H C 1.873 177.221 175.328 0.034 0.000 1.062 542 H CA 0.798 56.828 56.048 -0.030 0.000 1.350 542 H CB -0.807 28.934 29.762 -0.036 0.000 1.403 542 H HN 0.220 nan 8.280 nan 0.000 0.533 543 L N 1.725 122.918 121.223 -0.051 0.000 2.012 543 L HA -0.172 4.168 4.340 0.001 0.000 0.210 543 L C 2.222 179.189 176.870 0.162 0.000 1.073 543 L CA 2.199 57.039 54.840 0.001 0.000 0.748 543 L CB -1.218 40.755 42.059 -0.145 0.000 0.891 543 L HN 0.457 nan 8.230 nan 0.000 0.431 544 N N -1.056 117.733 118.700 0.149 0.000 2.043 544 N HA -0.268 4.472 4.740 0.001 0.000 0.193 544 N C 2.037 177.674 175.510 0.211 0.000 1.037 544 N CA 1.486 54.718 53.050 0.303 0.000 0.851 544 N CB -0.239 38.419 38.487 0.284 0.000 1.027 544 N HN 0.334 nan 8.380 nan 0.000 0.422 545 L N 1.372 122.672 121.223 0.130 0.000 2.051 545 L HA -0.174 4.166 4.340 0.001 0.000 0.214 545 L C 2.002 178.856 176.870 -0.026 0.000 1.076 545 L CA 1.521 56.342 54.840 -0.031 0.000 0.758 545 L CB -0.538 41.448 42.059 -0.122 0.000 0.890 545 L HN 0.330 nan 8.230 nan 0.000 0.433 546 L N -1.562 119.723 121.223 0.104 0.000 2.056 546 L HA -0.229 4.112 4.340 0.001 0.000 0.207 546 L C 2.667 179.734 176.870 0.329 0.000 1.078 546 L CA 1.533 56.479 54.840 0.177 0.000 0.749 546 L CB -1.029 41.164 42.059 0.223 0.000 0.901 546 L HN 0.512 nan 8.230 nan 0.000 0.433 547 H N 0.880 120.121 119.070 0.285 0.000 2.319 547 H HA -0.214 4.343 4.556 0.001 0.000 0.297 547 H C 2.357 177.628 175.328 -0.095 0.000 1.097 547 H CA 2.081 58.161 56.048 0.053 0.000 1.285 547 H CB 0.054 29.756 29.762 -0.100 0.000 1.368 547 H HN 0.263 nan 8.280 nan 0.000 0.495 548 I N 0.731 121.069 120.570 -0.386 0.000 2.145 548 I HA -0.349 3.822 4.170 0.001 0.000 0.244 548 I C 2.696 178.631 176.117 -0.304 0.000 1.075 548 I CA 1.237 62.167 61.300 -0.617 0.000 1.332 548 I CB -0.220 37.377 38.000 -0.672 0.000 1.033 548 I HN 0.259 nan 8.210 nan 0.000 0.410 549 L N 0.024 121.161 121.223 -0.143 0.000 2.141 549 L HA -0.161 4.179 4.340 0.001 0.000 0.209 549 L C 2.777 179.677 176.870 0.050 0.000 1.094 549 L CA 1.107 55.942 54.840 -0.009 0.000 0.763 549 L CB -0.653 41.397 42.059 -0.015 0.000 0.908 549 L HN 0.232 nan 8.230 nan 0.000 0.437 550 A N 0.146 122.993 122.820 0.045 0.000 1.883 550 A HA -0.193 4.128 4.320 0.001 0.000 0.217 550 A C 2.270 179.846 177.584 -0.013 0.000 1.186 550 A CA 1.516 53.592 52.037 0.066 0.000 0.624 550 A CB -0.713 18.375 19.000 0.146 0.000 0.822 550 A HN 0.347 nan 8.150 nan 0.000 0.444 551 L N -2.034 119.117 121.223 -0.120 0.000 2.046 551 L HA -0.197 4.143 4.340 0.001 0.000 0.208 551 L C 2.627 179.523 176.870 0.044 0.000 1.077 551 L CA 1.715 56.506 54.840 -0.082 0.000 0.747 551 L CB -0.620 41.343 42.059 -0.160 0.000 0.896 551 L HN 0.576 nan 8.230 nan 0.000 0.432 552 Y N 1.195 121.443 120.300 -0.087 0.000 2.128 552 Y HA -0.321 4.230 4.550 0.001 0.000 0.284 552 Y C 2.688 178.583 175.900 -0.008 0.000 1.154 552 Y CA 1.665 59.744 58.100 -0.035 0.000 1.149 552 Y CB -0.404 38.041 38.460 -0.025 0.000 0.976 552 Y HN 0.047 nan 8.280 nan 0.000 0.505 553 K N 0.322 120.692 120.400 -0.051 0.000 2.009 553 K HA -0.275 4.046 4.320 0.001 0.000 0.210 553 K C 2.201 178.755 176.600 -0.077 0.000 1.049 553 K CA 1.921 58.133 56.287 -0.124 0.000 0.929 553 K CB -0.362 32.113 32.500 -0.041 0.000 0.714 553 K HN 0.459 nan 8.250 nan 0.000 0.440 554 E N 0.671 120.856 120.200 -0.025 0.000 2.086 554 E HA -0.223 4.127 4.350 0.001 0.000 0.200 554 E C 1.992 178.583 176.600 -0.015 0.000 1.012 554 E CA 1.929 58.322 56.400 -0.013 0.000 0.812 554 E CB -0.197 29.503 29.700 -0.000 0.000 0.743 554 E HN 0.573 nan 8.360 nan 0.000 0.453 555 I N -2.180 118.390 120.570 0.001 0.000 3.226 555 I HA -0.041 4.130 4.170 0.001 0.000 0.277 555 I C 2.078 178.191 176.117 -0.008 0.000 1.243 555 I CA 0.589 61.898 61.300 0.015 0.000 1.459 555 I CB -0.154 37.879 38.000 0.054 0.000 1.093 555 I HN -0.010 nan 8.210 nan 0.000 0.453 556 R N 1.368 121.825 120.500 -0.072 0.000 2.075 556 R HA -0.061 4.279 4.340 0.001 0.000 0.232 556 R C 1.671 177.926 176.300 -0.076 0.000 1.126 556 R CA 1.758 57.789 56.100 -0.115 0.000 0.963 556 R CB -0.026 30.110 30.300 -0.272 0.000 0.858 556 R HN 0.551 nan 8.270 nan 0.000 0.435 557 E N -0.645 119.514 120.200 -0.069 0.000 2.460 557 E HA 0.015 4.366 4.350 0.001 0.000 0.200 557 E C -0.193 176.391 176.600 -0.027 0.000 1.011 557 E CA -0.090 56.281 56.400 -0.049 0.000 0.912 557 E CB 0.388 30.058 29.700 -0.050 0.000 0.953 557 E HN 0.023 nan 8.360 nan 0.000 0.494 558 N N 0.832 119.520 118.700 -0.020 0.000 2.573 558 N HA 0.138 4.879 4.740 0.001 0.000 0.262 558 N C -2.266 173.241 175.510 -0.005 0.000 1.029 558 N CA -2.202 50.842 53.050 -0.010 0.000 0.882 558 N CB 1.378 39.862 38.487 -0.005 0.000 1.204 558 N HN -0.243 nan 8.380 nan 0.000 0.519 559 P HA -0.069 nan 4.420 nan 0.000 0.223 559 P C -0.099 177.202 177.300 0.002 0.000 1.144 559 P CA 1.149 64.249 63.100 -0.001 0.000 0.783 559 P CB 0.435 32.134 31.700 -0.002 0.000 0.771 560 Q N -0.997 118.804 119.800 0.002 0.000 2.211 560 Q HA 0.420 4.761 4.340 0.001 0.000 0.301 560 Q C -0.107 175.896 176.000 0.004 0.000 0.884 560 Q CA -0.356 55.449 55.803 0.003 0.000 1.115 560 Q CB 0.076 28.816 28.738 0.003 0.000 1.217 560 Q HN 0.068 nan 8.270 nan 0.000 0.451 561 A N 0.153 122.976 122.820 0.004 0.000 2.425 561 A HA 0.084 4.405 4.320 0.001 0.000 0.249 561 A C 0.659 178.246 177.584 0.005 0.000 1.084 561 A CA -0.167 51.873 52.037 0.005 0.000 0.781 561 A CB 0.420 19.423 19.000 0.006 0.000 1.019 561 A HN 0.226 nan 8.150 nan 0.000 0.490 562 D N 0.515 120.917 120.400 0.004 0.000 2.363 562 D HA -0.021 4.620 4.640 0.001 0.000 0.220 562 D C 0.259 176.559 176.300 0.001 0.000 0.994 562 D CA 0.490 54.493 54.000 0.005 0.000 0.890 562 D CB 0.072 40.877 40.800 0.007 0.000 0.906 562 D HN 0.337 nan 8.370 nan 0.000 0.530 563 R N 0.566 121.065 120.500 -0.002 0.000 2.401 563 R HA 0.092 4.433 4.340 0.001 0.000 0.299 563 R C 0.130 176.417 176.300 -0.022 0.000 1.064 563 R CA -0.401 55.693 56.100 -0.011 0.000 1.000 563 R CB 0.492 30.787 30.300 -0.008 0.000 0.973 563 R HN -0.049 nan 8.270 nan 0.000 0.438 564 V N 4.276 124.166 119.914 -0.040 0.000 2.763 564 V HA 0.138 4.259 4.120 0.001 0.000 0.306 564 V C -1.927 174.110 176.094 -0.095 0.000 1.059 564 V CA -1.351 60.911 62.300 -0.064 0.000 1.138 564 V CB 0.329 32.107 31.823 -0.075 0.000 0.940 564 V HN 0.601 nan 8.190 nan 0.000 0.489 565 P HA 0.266 nan 4.420 nan 0.000 0.266 565 P C -0.833 176.377 177.300 -0.151 0.000 1.195 565 P CA 0.290 63.344 63.100 -0.076 0.000 0.768 565 P CB 0.260 31.934 31.700 -0.043 0.000 0.838 566 R N 1.250 121.675 120.500 -0.125 0.000 2.686 566 R HA 0.598 4.939 4.340 0.001 0.000 0.283 566 R C -1.373 174.828 176.300 -0.165 0.000 0.978 566 R CA -1.065 54.892 56.100 -0.239 0.000 0.897 566 R CB 2.160 32.242 30.300 -0.364 0.000 1.192 566 R HN 0.183 nan 8.270 nan 0.000 0.457 567 V N 3.593 123.366 119.914 -0.234 0.000 2.378 567 V HA 0.398 4.518 4.120 0.001 0.000 0.288 567 V C -0.802 175.063 176.094 -0.382 0.000 1.016 567 V CA -0.650 61.527 62.300 -0.205 0.000 0.840 567 V CB 1.149 32.816 31.823 -0.260 0.000 0.994 567 V HN 0.516 nan 8.190 nan 0.000 0.431 568 F N 5.643 125.502 119.950 -0.152 0.000 2.404 568 F HA 0.576 5.104 4.527 0.001 0.000 0.358 568 F C 0.037 175.688 175.800 -0.249 0.000 1.120 568 F CA -0.398 57.474 58.000 -0.213 0.000 1.144 568 F CB 1.030 39.938 39.000 -0.154 0.000 1.133 568 F HN 0.241 nan 8.300 nan 0.000 0.495 569 L N 4.534 125.613 121.223 -0.240 0.000 2.307 569 L HA 0.528 4.869 4.340 0.001 0.000 0.284 569 L C -0.772 175.839 176.870 -0.431 0.000 1.023 569 L CA -0.364 54.348 54.840 -0.213 0.000 0.810 569 L CB 0.897 42.842 42.059 -0.190 0.000 1.231 569 L HN 0.368 nan 8.230 nan 0.000 0.423 570 F N 0.554 120.373 119.950 -0.219 0.000 2.522 570 F HA 0.810 5.337 4.527 0.001 0.000 0.324 570 F C 0.640 176.272 175.800 -0.280 0.000 1.077 570 F CA -0.727 57.009 58.000 -0.441 0.000 0.944 570 F CB 2.330 40.702 39.000 -1.046 0.000 1.175 570 F HN 0.402 nan 8.300 nan 0.000 0.468 571 G N 0.996 109.715 108.800 -0.135 0.000 2.741 571 G HA2 0.743 4.703 3.960 0.001 0.000 0.293 571 G HA3 0.743 4.703 3.960 0.001 0.000 0.293 571 G C -1.970 172.830 174.900 -0.166 0.000 1.457 571 G CA -0.761 44.298 45.100 -0.068 0.000 1.098 571 G HN 1.007 nan 8.290 nan 0.000 0.536 572 A N 2.191 125.169 122.820 0.263 0.000 2.590 572 A HA 0.682 5.002 4.320 0.001 0.000 0.309 572 A C -1.004 176.808 177.584 0.380 0.000 1.039 572 A CA -0.821 51.386 52.037 0.284 0.000 0.824 572 A CB 1.122 20.249 19.000 0.212 0.000 1.247 572 A HN 0.609 nan 8.150 nan 0.000 0.394 573 K N 0.902 121.461 120.400 0.266 0.000 2.207 573 K HA 0.767 5.088 4.320 0.001 0.000 0.255 573 K C -0.193 176.567 176.600 0.266 0.000 0.941 573 K CA -0.460 55.984 56.287 0.261 0.000 0.825 573 K CB 2.483 35.026 32.500 0.073 0.000 1.119 573 K HN 1.006 nan 8.250 nan 0.000 0.430 574 A N 1.676 124.675 122.820 0.299 0.000 2.292 574 A HA 0.618 4.938 4.320 0.001 0.000 0.319 574 A C -0.160 177.587 177.584 0.272 0.000 1.206 574 A CA -0.650 51.494 52.037 0.179 0.000 0.835 574 A CB 0.818 19.818 19.000 0.001 0.000 1.164 574 A HN 0.816 nan 8.150 nan 0.000 0.505 575 A N 4.119 127.106 122.820 0.279 0.000 2.587 575 A HA 0.359 4.679 4.320 0.001 0.000 0.233 575 A C -1.271 176.332 177.584 0.032 0.000 1.049 575 A CA -0.269 51.905 52.037 0.228 0.000 0.754 575 A CB -0.390 18.727 19.000 0.195 0.000 0.977 575 A HN 0.631 nan 8.150 nan 0.000 0.509 576 P HA -0.116 nan 4.420 nan 0.000 0.216 576 P C 1.359 178.503 177.300 -0.261 0.000 1.150 576 P CA 1.894 64.834 63.100 -0.267 0.000 0.843 576 P CB 0.130 31.674 31.700 -0.261 0.000 0.787 577 G N -2.775 105.900 108.800 -0.209 0.000 3.088 577 G HA2 -0.127 3.833 3.960 0.001 0.000 0.212 577 G HA3 -0.127 3.833 3.960 0.001 0.000 0.212 577 G C -0.180 174.433 174.900 -0.478 0.000 1.173 577 G CA 0.011 44.892 45.100 -0.365 0.000 0.779 577 G HN 0.182 nan 8.290 nan 0.000 0.540 578 Y N 1.834 121.879 120.300 -0.426 0.000 2.802 578 Y HA 0.415 4.966 4.550 0.001 0.000 0.330 578 Y C 0.535 176.292 175.900 -0.239 0.000 1.193 578 Y CA -2.589 55.349 58.100 -0.269 0.000 1.427 578 Y CB -0.335 38.030 38.460 -0.158 0.000 1.357 578 Y HN 0.217 nan 8.280 nan 0.000 0.501 579 Y N 2.482 122.908 120.300 0.210 0.000 2.224 579 Y HA -0.251 4.300 4.550 0.001 0.000 0.289 579 Y C 2.063 177.960 175.900 -0.005 0.000 1.146 579 Y CA 1.548 59.684 58.100 0.060 0.000 1.182 579 Y CB -0.427 38.056 38.460 0.039 0.000 0.983 579 Y HN 0.527 nan 8.280 nan 0.000 0.524 580 L N 0.227 121.544 121.223 0.156 0.000 2.072 580 L HA -0.013 4.328 4.340 0.001 0.000 0.205 580 L C 2.334 179.043 176.870 -0.267 0.000 1.079 580 L CA 1.897 56.735 54.840 -0.002 0.000 0.752 580 L CB -1.195 40.922 42.059 0.096 0.000 0.906 580 L HN 0.091 nan 8.230 nan 0.000 0.436 581 A N -0.400 122.007 122.820 -0.688 0.000 1.940 581 A HA -0.248 4.072 4.320 0.001 0.000 0.219 581 A C 2.348 179.737 177.584 -0.324 0.000 1.176 581 A CA 2.068 53.661 52.037 -0.740 0.000 0.631 581 A CB -0.553 17.690 19.000 -1.261 0.000 0.814 581 A HN 0.541 nan 8.150 nan 0.000 0.446 582 K N -0.590 119.685 120.400 -0.208 0.000 2.148 582 K HA -0.097 4.224 4.320 0.001 0.000 0.204 582 K C 1.998 178.598 176.600 0.001 0.000 1.050 582 K CA 1.149 57.393 56.287 -0.072 0.000 0.942 582 K CB -0.200 32.272 32.500 -0.048 0.000 0.724 582 K HN 0.612 nan 8.250 nan 0.000 0.446 583 N N 1.020 119.729 118.700 0.014 0.000 2.270 583 N HA -0.090 4.651 4.740 0.001 0.000 0.181 583 N C 1.787 177.356 175.510 0.099 0.000 1.016 583 N CA 0.624 53.751 53.050 0.128 0.000 0.870 583 N CB 0.135 38.699 38.487 0.128 0.000 0.979 583 N HN 0.096 nan 8.380 nan 0.000 0.431 584 I N 1.227 121.756 120.570 -0.067 0.000 2.179 584 I HA -0.267 3.903 4.170 0.001 0.000 0.242 584 I C 2.220 178.263 176.117 -0.123 0.000 1.088 584 I CA 0.884 62.090 61.300 -0.156 0.000 1.357 584 I CB -0.189 37.639 38.000 -0.285 0.000 1.051 584 I HN 0.134 nan 8.210 nan 0.000 0.409 585 I N 0.085 120.624 120.570 -0.050 0.000 2.151 585 I HA -0.365 3.805 4.170 0.001 0.000 0.243 585 I C 2.526 178.604 176.117 -0.064 0.000 1.080 585 I CA 1.651 62.950 61.300 -0.001 0.000 1.339 585 I CB -0.422 37.576 38.000 -0.003 0.000 1.039 585 I HN 0.203 nan 8.210 nan 0.000 0.409 586 F N 1.766 121.635 119.950 -0.134 0.000 2.102 586 F HA -0.219 4.309 4.527 0.001 0.000 0.298 586 F C 2.472 178.240 175.800 -0.053 0.000 1.105 586 F CA 1.307 59.267 58.000 -0.065 0.000 1.239 586 F CB -0.760 38.275 39.000 0.057 0.000 0.991 586 F HN 0.020 nan 8.300 nan 0.000 0.474 587 A N 0.987 123.673 122.820 -0.224 0.000 1.873 587 A HA -0.211 4.109 4.320 0.001 0.000 0.218 587 A C 2.374 179.588 177.584 -0.616 0.000 1.193 587 A CA 2.291 53.851 52.037 -0.796 0.000 0.629 587 A CB -1.386 17.143 19.000 -0.783 0.000 0.826 587 A HN 0.492 nan 8.150 nan 0.000 0.447 588 I N -0.016 120.291 120.570 -0.438 0.000 2.118 588 I HA -0.333 3.837 4.170 0.001 0.000 0.241 588 I C 2.252 178.161 176.117 -0.347 0.000 1.070 588 I CA 1.646 62.684 61.300 -0.436 0.000 1.327 588 I CB -0.528 37.156 38.000 -0.525 0.000 1.034 588 I HN 0.326 nan 8.210 nan 0.000 0.405 589 N N 0.529 119.052 118.700 -0.296 0.000 2.188 589 N HA -0.137 4.603 4.740 0.001 0.000 0.184 589 N C 1.803 177.177 175.510 -0.226 0.000 1.018 589 N CA 1.054 53.944 53.050 -0.267 0.000 0.858 589 N CB -0.145 38.112 38.487 -0.384 0.000 0.989 589 N HN 0.239 nan 8.380 nan 0.000 0.426 590 K N 0.710 120.938 120.400 -0.287 0.000 2.062 590 K HA 0.069 4.389 4.320 0.001 0.000 0.205 590 K C 2.092 178.591 176.600 -0.169 0.000 1.051 590 K CA 0.313 56.480 56.287 -0.200 0.000 0.941 590 K CB -0.777 31.596 32.500 -0.212 0.000 0.719 590 K HN -0.006 nan 8.250 nan 0.000 0.440 591 V N 1.785 121.463 119.914 -0.394 0.000 2.332 591 V HA -0.261 3.859 4.120 0.001 0.000 0.248 591 V C 2.437 178.356 176.094 -0.292 0.000 1.055 591 V CA 1.994 63.984 62.300 -0.517 0.000 1.038 591 V CB -0.848 30.545 31.823 -0.716 0.000 0.651 591 V HN 0.272 nan 8.190 nan 0.000 0.450 592 A N -0.210 122.468 122.820 -0.237 0.000 1.883 592 A HA -0.276 4.045 4.320 0.001 0.000 0.217 592 A C 2.029 179.548 177.584 -0.108 0.000 1.186 592 A CA 2.074 54.016 52.037 -0.158 0.000 0.624 592 A CB -0.673 18.267 19.000 -0.101 0.000 0.822 592 A HN 0.527 nan 8.150 nan 0.000 0.444 593 D N -0.501 119.854 120.400 -0.075 0.000 2.182 593 D HA -0.094 4.547 4.640 0.001 0.000 0.201 593 D C 2.025 178.317 176.300 -0.014 0.000 0.986 593 D CA 1.333 55.315 54.000 -0.031 0.000 0.847 593 D CB -0.177 40.618 40.800 -0.009 0.000 0.942 593 D HN 0.244 nan 8.370 nan 0.000 0.467 594 V N 0.900 120.821 119.914 0.010 0.000 2.302 594 V HA -0.139 3.981 4.120 0.001 0.000 0.243 594 V C 2.536 178.592 176.094 -0.063 0.000 1.036 594 V CA 0.746 63.077 62.300 0.052 0.000 1.020 594 V CB -0.203 31.754 31.823 0.224 0.000 0.657 594 V HN 0.145 nan 8.190 nan 0.000 0.453 595 I N 0.928 121.339 120.570 -0.266 0.000 2.151 595 I HA -0.291 3.880 4.170 0.001 0.000 0.243 595 I C 2.300 178.291 176.117 -0.210 0.000 1.080 595 I CA 1.770 62.784 61.300 -0.477 0.000 1.339 595 I CB -0.646 37.011 38.000 -0.571 0.000 1.039 595 I HN 0.369 nan 8.210 nan 0.000 0.409 596 N N 0.951 119.574 118.700 -0.129 0.000 2.289 596 N HA -0.138 4.602 4.740 0.001 0.000 0.184 596 N C 1.228 176.719 175.510 -0.032 0.000 1.016 596 N CA 1.098 54.110 53.050 -0.064 0.000 0.872 596 N CB -0.383 38.078 38.487 -0.042 0.000 0.973 596 N HN 0.450 nan 8.380 nan 0.000 0.433 597 N N 0.250 118.936 118.700 -0.023 0.000 2.205 597 N HA -0.043 4.697 4.740 0.001 0.000 0.201 597 N C -0.525 174.996 175.510 0.018 0.000 1.128 597 N CA -0.043 53.008 53.050 0.002 0.000 0.867 597 N CB 0.480 38.972 38.487 0.008 0.000 0.996 597 N HN 0.146 nan 8.380 nan 0.000 0.503 598 D N 2.305 122.719 120.400 0.025 0.000 2.342 598 D HA 0.096 4.736 4.640 0.001 0.000 0.260 598 D C -1.574 174.763 176.300 0.062 0.000 1.278 598 D CA -1.776 52.267 54.000 0.070 0.000 0.910 598 D CB 1.518 42.410 40.800 0.153 0.000 1.079 598 D HN 0.048 nan 8.370 nan 0.000 0.496 599 P HA -0.071 nan 4.420 nan 0.000 0.221 599 P C 1.394 178.720 177.300 0.043 0.000 1.150 599 P CA 0.478 63.600 63.100 0.037 0.000 0.800 599 P CB -0.034 31.683 31.700 0.028 0.000 0.787 600 L N -3.235 118.022 121.223 0.056 0.000 2.610 600 L HA 0.069 4.410 4.340 0.001 0.000 0.232 600 L C 1.453 178.366 176.870 0.071 0.000 1.149 600 L CA 1.249 56.121 54.840 0.055 0.000 0.872 600 L CB -0.675 41.413 42.059 0.048 0.000 0.992 600 L HN -0.242 nan 8.230 nan 0.000 0.447 601 V N -0.064 119.901 119.914 0.085 0.000 2.788 601 V HA 0.439 4.560 4.120 0.001 0.000 0.241 601 V C 1.840 177.964 176.094 0.050 0.000 1.083 601 V CA 0.800 63.153 62.300 0.089 0.000 1.103 601 V CB -0.561 31.322 31.823 0.100 0.000 0.800 601 V HN 0.747 nan 8.190 nan 0.000 0.476 602 G N 0.854 109.677 108.800 0.038 0.000 2.574 602 G HA2 -0.344 3.616 3.960 0.001 0.000 0.286 602 G HA3 -0.344 3.616 3.960 0.001 0.000 0.286 602 G C 0.195 175.107 174.900 0.021 0.000 1.212 602 G CA 0.490 45.606 45.100 0.026 0.000 0.979 602 G HN 0.360 nan 8.290 nan 0.000 0.557 603 D N 0.876 121.287 120.400 0.019 0.000 2.370 603 D HA 0.222 4.863 4.640 0.001 0.000 0.230 603 D C 2.100 178.409 176.300 0.015 0.000 1.143 603 D CA 0.224 54.234 54.000 0.018 0.000 0.834 603 D CB 0.134 40.946 40.800 0.020 0.000 0.944 603 D HN 0.476 nan 8.370 nan 0.000 0.504 604 K N -0.459 119.952 120.400 0.019 0.000 2.167 604 K HA 0.034 4.354 4.320 0.001 0.000 0.203 604 K C 0.393 177.006 176.600 0.022 0.000 1.052 604 K CA 0.456 56.754 56.287 0.018 0.000 0.956 604 K CB 0.761 33.280 32.500 0.031 0.000 0.735 604 K HN 0.024 nan 8.250 nan 0.000 0.451 605 L N 0.606 121.845 121.223 0.026 0.000 2.543 605 L HA 0.324 4.664 4.340 0.001 0.000 0.265 605 L C -1.922 174.955 176.870 0.011 0.000 0.945 605 L CA -0.391 54.472 54.840 0.038 0.000 0.869 605 L CB 1.711 43.800 42.059 0.051 0.000 1.294 605 L HN -0.237 nan 8.230 nan 0.000 0.405 606 K N 3.796 124.218 120.400 0.037 0.000 2.477 606 K HA 0.795 5.116 4.320 0.001 0.000 0.255 606 K C -1.731 174.908 176.600 0.065 0.000 0.952 606 K CA -0.811 55.482 56.287 0.011 0.000 0.826 606 K CB 2.901 35.394 32.500 -0.011 0.000 1.331 606 K HN 0.363 nan 8.250 nan 0.000 0.437 607 V N 1.897 121.832 119.914 0.035 0.000 2.447 607 V HA 0.315 4.435 4.120 0.001 0.000 0.292 607 V C -0.844 175.303 176.094 0.090 0.000 1.021 607 V CA -0.890 61.466 62.300 0.093 0.000 0.850 607 V CB 1.869 33.709 31.823 0.029 0.000 1.005 607 V HN 0.438 nan 8.190 nan 0.000 0.426 608 V N 5.620 125.611 119.914 0.128 0.000 2.376 608 V HA 0.428 4.548 4.120 0.001 0.000 0.287 608 V C -0.693 175.564 176.094 0.272 0.000 1.015 608 V CA -0.498 61.883 62.300 0.136 0.000 0.834 608 V CB 1.651 33.500 31.823 0.045 0.000 1.001 608 V HN 0.684 nan 8.190 nan 0.000 0.428 609 F N 6.106 126.144 119.950 0.147 0.000 2.368 609 F HA 0.530 5.057 4.527 0.001 0.000 0.362 609 F C 0.012 175.990 175.800 0.295 0.000 1.137 609 F CA -1.362 56.767 58.000 0.216 0.000 1.161 609 F CB 0.693 39.697 39.000 0.006 0.000 1.265 609 F HN 0.325 nan 8.300 nan 0.000 0.530 610 L N 8.718 130.306 121.223 0.608 0.000 2.361 610 L HA 0.270 4.611 4.340 0.001 0.000 0.278 610 L C -1.865 175.246 176.870 0.401 0.000 1.113 610 L CA -1.713 53.367 54.840 0.399 0.000 0.849 610 L CB 0.475 42.713 42.059 0.299 0.000 1.155 610 L HN 0.432 nan 8.230 nan 0.000 0.452 611 P HA 0.053 nan 4.420 nan 0.000 0.275 611 P C -0.407 176.847 177.300 -0.075 0.000 1.228 611 P CA -0.058 62.871 63.100 -0.284 0.000 0.786 611 P CB 0.957 32.287 31.700 -0.617 0.000 0.927 612 D N -0.305 120.048 120.400 -0.078 0.000 2.809 612 D HA -0.224 4.416 4.640 0.001 0.000 0.234 612 D C -0.703 175.655 176.300 0.097 0.000 1.111 612 D CA 0.437 54.423 54.000 -0.023 0.000 0.726 612 D CB -2.099 38.666 40.800 -0.058 0.000 1.089 612 D HN 0.345 nan 8.370 nan 0.000 0.436 613 Y N 0.772 121.105 120.300 0.054 0.000 2.904 613 Y HA 0.210 4.760 4.550 0.001 0.000 0.336 613 Y C 0.900 176.818 175.900 0.031 0.000 1.263 613 Y CA 0.336 58.488 58.100 0.087 0.000 1.547 613 Y CB 0.102 38.633 38.460 0.118 0.000 1.272 613 Y HN 0.467 nan 8.280 nan 0.000 0.596 614 C N 2.894 121.904 119.300 -0.484 0.000 3.259 614 C HA 0.381 4.842 4.460 0.001 0.000 0.344 614 C C 0.932 175.692 174.990 -0.383 0.000 1.401 614 C CA -0.533 58.237 59.018 -0.414 0.000 1.219 614 C CB 0.342 27.973 27.740 -0.182 0.000 1.521 614 C HN 0.661 nan 8.230 nan 0.000 0.455 615 V N 1.487 121.275 119.914 -0.210 0.000 2.282 615 V HA -0.188 3.932 4.120 0.001 0.000 0.249 615 V C 2.692 178.766 176.094 -0.034 0.000 1.057 615 V CA 3.098 65.371 62.300 -0.045 0.000 1.032 615 V CB -0.998 30.809 31.823 -0.026 0.000 0.645 615 V HN 0.973 nan 8.190 nan 0.000 0.447 616 S N -0.091 115.564 115.700 -0.075 0.000 2.365 616 S HA -0.258 4.213 4.470 0.001 0.000 0.225 616 S C 2.194 176.748 174.600 -0.077 0.000 1.039 616 S CA 1.677 59.834 58.200 -0.072 0.000 1.033 616 S CB -0.572 62.599 63.200 -0.048 0.000 0.887 616 S HN 0.686 nan 8.310 nan 0.000 0.447 617 A N 1.246 124.065 122.820 -0.001 0.000 1.933 617 A HA 0.117 4.437 4.320 0.001 0.000 0.218 617 A C 2.333 179.996 177.584 0.131 0.000 1.175 617 A CA 1.720 53.814 52.037 0.095 0.000 0.628 617 A CB -1.011 18.189 19.000 0.334 0.000 0.814 617 A HN 0.533 nan 8.150 nan 0.000 0.444 618 A N -0.204 122.707 122.820 0.151 0.000 1.933 618 A HA -0.160 4.161 4.320 0.001 0.000 0.218 618 A C 1.863 179.610 177.584 0.271 0.000 1.175 618 A CA 1.552 53.769 52.037 0.301 0.000 0.628 618 A CB -0.492 18.667 19.000 0.266 0.000 0.814 618 A HN 0.637 nan 8.150 nan 0.000 0.444 619 E N -0.492 119.826 120.200 0.197 0.000 2.268 619 E HA -0.143 4.207 4.350 0.001 0.000 0.195 619 E C 1.666 178.271 176.600 0.008 0.000 0.995 619 E CA 0.824 57.296 56.400 0.120 0.000 0.836 619 E CB 0.030 29.703 29.700 -0.046 0.000 0.763 619 E HN 0.399 nan 8.360 nan 0.000 0.491 620 K N 0.224 120.569 120.400 -0.092 0.000 2.128 620 K HA 0.046 4.367 4.320 0.001 0.000 0.202 620 K C 2.191 178.789 176.600 -0.003 0.000 1.050 620 K CA 0.328 56.522 56.287 -0.155 0.000 0.966 620 K CB -0.064 32.115 32.500 -0.535 0.000 0.759 620 K HN 0.141 nan 8.250 nan 0.000 0.454 621 L N 0.769 122.030 121.223 0.064 0.000 2.027 621 L HA -0.102 4.239 4.340 0.001 0.000 0.206 621 L C 2.427 179.364 176.870 0.112 0.000 1.074 621 L CA 1.041 55.950 54.840 0.116 0.000 0.745 621 L CB -0.383 41.766 42.059 0.148 0.000 0.898 621 L HN 0.038 nan 8.230 nan 0.000 0.433 622 I N -0.281 120.359 120.570 0.117 0.000 2.179 622 I HA -0.192 3.979 4.170 0.001 0.000 0.242 622 I C -0.422 175.747 176.117 0.087 0.000 1.088 622 I CA 1.322 62.680 61.300 0.097 0.000 1.357 622 I CB -1.207 36.855 38.000 0.103 0.000 1.051 622 I HN 0.204 nan 8.210 nan 0.000 0.409 623 P HA -0.116 nan 4.420 nan 0.000 0.222 623 P C 0.967 178.294 177.300 0.046 0.000 1.147 623 P CA 1.244 64.372 63.100 0.047 0.000 0.790 623 P CB -0.010 31.707 31.700 0.028 0.000 0.780 624 A N -1.034 121.841 122.820 0.092 0.000 2.251 624 A HA 0.435 4.756 4.320 0.001 0.000 0.209 624 A C 1.167 178.852 177.584 0.169 0.000 1.187 624 A CA 0.109 52.227 52.037 0.135 0.000 0.823 624 A CB -0.879 18.277 19.000 0.260 0.000 0.846 624 A HN 0.207 nan 8.150 nan 0.000 0.486 625 A N -0.217 122.686 122.820 0.137 0.000 2.388 625 A HA 0.460 4.781 4.320 0.001 0.000 0.257 625 A C 0.439 178.116 177.584 0.155 0.000 1.095 625 A CA -0.123 52.000 52.037 0.145 0.000 0.791 625 A CB 0.339 19.397 19.000 0.096 0.000 1.029 625 A HN 0.294 nan 8.150 nan 0.000 0.489 626 D N 0.339 120.839 120.400 0.166 0.000 2.490 626 D HA 0.154 4.795 4.640 0.001 0.000 0.244 626 D C 0.149 176.660 176.300 0.352 0.000 0.979 626 D CA 0.934 55.108 54.000 0.290 0.000 0.924 626 D CB 0.244 41.103 40.800 0.097 0.000 1.075 626 D HN 0.370 nan 8.370 nan 0.000 0.488 627 I N 1.032 121.696 120.570 0.157 0.000 2.433 627 I HA 0.149 4.319 4.170 0.001 0.000 0.292 627 I C -0.033 176.112 176.117 0.047 0.000 1.001 627 I CA -0.420 60.947 61.300 0.112 0.000 1.119 627 I CB 1.803 39.804 38.000 0.003 0.000 1.289 627 I HN -0.215 nan 8.210 nan 0.000 0.438 628 S N 6.401 122.136 115.700 0.058 0.000 2.423 628 S HA 0.258 4.728 4.470 0.001 0.000 0.317 628 S C -0.128 174.493 174.600 0.034 0.000 1.065 628 S CA -0.593 57.622 58.200 0.024 0.000 1.111 628 S CB 0.114 63.327 63.200 0.023 0.000 0.968 628 S HN 0.397 nan 8.310 nan 0.000 0.474 629 E N 3.880 124.083 120.200 0.004 0.000 2.180 629 E HA 0.171 4.521 4.350 0.001 0.000 0.283 629 E C -0.379 176.236 176.600 0.025 0.000 1.061 629 E CA -0.221 56.201 56.400 0.037 0.000 0.861 629 E CB 0.855 30.556 29.700 0.001 0.000 1.056 629 E HN 0.610 nan 8.360 nan 0.000 0.407 630 Q N 2.780 122.622 119.800 0.070 0.000 3.075 630 Q HA 0.235 4.576 4.340 0.001 0.000 0.318 630 Q C 0.657 176.691 176.000 0.057 0.000 0.907 630 Q CA -0.083 55.742 55.803 0.036 0.000 0.882 630 Q CB 0.160 28.908 28.738 0.017 0.000 1.386 630 Q HN 0.617 nan 8.270 nan 0.000 0.408 631 I N -2.062 118.536 120.570 0.047 0.000 3.877 631 I HA 0.275 4.445 4.170 0.001 0.000 0.332 631 I C 0.591 176.708 176.117 -0.000 0.000 1.525 631 I CA -0.573 60.760 61.300 0.055 0.000 1.146 631 I CB 0.505 38.514 38.000 0.016 0.000 1.137 631 I HN 0.014 nan 8.210 nan 0.000 0.424 632 S N 0.796 116.501 115.700 0.009 0.000 2.572 632 S HA 0.185 4.656 4.470 0.001 0.000 0.279 632 S C 0.566 175.192 174.600 0.043 0.000 1.341 632 S CA -0.223 58.010 58.200 0.055 0.000 1.043 632 S CB 0.366 63.642 63.200 0.127 0.000 0.887 632 S HN 0.365 nan 8.310 nan 0.000 0.516 633 T N 3.335 117.947 114.554 0.096 0.000 2.849 633 T HA 0.300 4.651 4.350 0.001 0.000 0.289 633 T C 0.775 175.487 174.700 0.019 0.000 1.010 633 T CA 0.470 62.613 62.100 0.072 0.000 1.161 633 T CB -0.365 68.623 68.868 0.201 0.000 0.989 633 T HN 1.061 nan 8.240 nan 0.000 0.523 634 A N 3.017 125.815 122.820 -0.036 0.000 2.567 634 A HA 0.468 4.789 4.320 0.001 0.000 0.240 634 A C 1.677 179.241 177.584 -0.034 0.000 1.053 634 A CA 0.275 52.282 52.037 -0.050 0.000 0.755 634 A CB -0.743 18.217 19.000 -0.066 0.000 0.978 634 A HN 1.678 nan 8.150 nan 0.000 0.507 635 G N 1.768 110.545 108.800 -0.038 0.000 2.232 635 G HA2 -0.194 3.767 3.960 0.001 0.000 0.226 635 G HA3 -0.194 3.767 3.960 0.001 0.000 0.226 635 G C 0.789 175.646 174.900 -0.071 0.000 0.996 635 G CA 0.457 45.531 45.100 -0.043 0.000 0.626 635 G HN 0.660 nan 8.290 nan 0.000 0.509 636 K N 0.495 120.839 120.400 -0.095 0.000 2.372 636 K HA 0.344 4.664 4.320 0.001 0.000 0.200 636 K C 0.175 176.640 176.600 -0.226 0.000 1.022 636 K CA 0.176 56.309 56.287 -0.256 0.000 1.125 636 K CB 1.117 33.364 32.500 -0.422 0.000 0.855 636 K HN 0.434 nan 8.250 nan 0.000 0.524 637 E N -0.169 119.979 120.200 -0.087 0.000 2.244 637 E HA 0.391 4.742 4.350 0.001 0.000 0.260 637 E C 0.001 176.573 176.600 -0.047 0.000 0.884 637 E CA -0.214 56.163 56.400 -0.039 0.000 0.777 637 E CB 1.523 31.227 29.700 0.006 0.000 1.197 637 E HN 0.036 nan 8.360 nan 0.000 0.416 638 A N 2.885 125.655 122.820 -0.082 0.000 1.898 638 A HA 0.042 4.363 4.320 0.001 0.000 0.214 638 A C 1.492 179.016 177.584 -0.100 0.000 1.183 638 A CA 1.648 53.595 52.037 -0.151 0.000 0.622 638 A CB 0.010 18.756 19.000 -0.422 0.000 0.824 638 A HN 0.526 nan 8.150 nan 0.000 0.444 639 S N -3.136 112.520 115.700 -0.073 0.000 3.896 639 S HA 0.552 5.022 4.470 0.001 0.000 0.190 639 S C 0.067 174.635 174.600 -0.054 0.000 1.171 639 S CA 1.086 59.260 58.200 -0.044 0.000 1.368 639 S CB 0.579 63.766 63.200 -0.020 0.000 1.688 639 S HN 2.072 nan 8.310 nan 0.000 0.791 640 G N 0.050 108.813 108.800 -0.061 0.000 2.521 640 G HA2 0.300 4.260 3.960 0.001 0.000 0.589 640 G HA3 0.300 4.260 3.960 0.001 0.000 0.589 640 G C 0.006 174.834 174.900 -0.120 0.000 1.501 640 G CA 0.609 45.656 45.100 -0.088 0.000 0.887 640 G HN 1.280 nan 8.290 nan 0.000 0.654 641 T N -1.510 112.962 114.554 -0.136 0.000 3.010 641 T HA 0.324 4.674 4.350 0.001 0.000 0.252 641 T C 2.402 176.959 174.700 -0.239 0.000 0.963 641 T CA 1.321 63.316 62.100 -0.176 0.000 0.952 641 T CB 0.299 69.076 68.868 -0.153 0.000 1.182 641 T HN 1.724 nan 8.240 nan 0.000 0.495 642 G N 3.028 111.704 108.800 -0.207 0.000 2.469 642 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 642 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 642 G C 1.390 176.175 174.900 -0.191 0.000 1.136 642 G CA 1.448 46.420 45.100 -0.213 0.000 0.759 642 G HN 0.720 nan 8.290 nan 0.000 0.562 643 N N 0.744 119.340 118.700 -0.174 0.000 2.120 643 N HA -0.103 4.637 4.740 0.001 0.000 0.188 643 N C 2.102 177.487 175.510 -0.207 0.000 1.024 643 N CA 1.675 54.626 53.050 -0.165 0.000 0.852 643 N CB -0.444 37.942 38.487 -0.168 0.000 1.003 643 N HN 0.398 nan 8.380 nan 0.000 0.424 644 M N 0.598 120.023 119.600 -0.292 0.000 2.077 644 M HA -0.047 4.433 4.480 0.001 0.000 0.261 644 M C 1.947 178.160 176.300 -0.145 0.000 1.070 644 M CA 1.509 56.624 55.300 -0.309 0.000 1.125 644 M CB -0.323 32.060 32.600 -0.361 0.000 1.339 644 M HN 0.051 nan 8.290 nan 0.000 0.409 645 K N 0.741 121.026 120.400 -0.192 0.000 2.044 645 K HA -0.155 4.165 4.320 0.001 0.000 0.210 645 K C 1.921 178.481 176.600 -0.066 0.000 1.049 645 K CA 1.401 57.590 56.287 -0.164 0.000 0.927 645 K CB -0.485 31.776 32.500 -0.398 0.000 0.713 645 K HN 0.277 nan 8.250 nan 0.000 0.443 646 L N 0.339 121.513 121.223 -0.082 0.000 2.093 646 L HA -0.159 4.182 4.340 0.001 0.000 0.208 646 L C 2.558 179.432 176.870 0.006 0.000 1.085 646 L CA 0.957 55.781 54.840 -0.026 0.000 0.755 646 L CB -0.481 41.557 42.059 -0.035 0.000 0.904 646 L HN 0.236 nan 8.230 nan 0.000 0.435 647 A N 0.266 123.078 122.820 -0.012 0.000 1.851 647 A HA -0.226 4.095 4.320 0.001 0.000 0.216 647 A C 2.206 179.819 177.584 0.050 0.000 1.195 647 A CA 1.682 53.727 52.037 0.015 0.000 0.622 647 A CB -0.964 18.035 19.000 -0.001 0.000 0.831 647 A HN 0.339 nan 8.150 nan 0.000 0.444 648 L N -0.126 121.131 121.223 0.057 0.000 2.129 648 L HA -0.198 4.143 4.340 0.001 0.000 0.212 648 L C 1.489 178.402 176.870 0.072 0.000 1.087 648 L CA 1.162 56.049 54.840 0.079 0.000 0.757 648 L CB -0.418 41.699 42.059 0.096 0.000 0.896 648 L HN 0.445 nan 8.230 nan 0.000 0.434 649 N N -0.195 118.543 118.700 0.062 0.000 2.268 649 N HA 0.072 4.812 4.740 0.001 0.000 0.204 649 N C 0.993 176.536 175.510 0.055 0.000 1.124 649 N CA 0.872 53.948 53.050 0.043 0.000 0.838 649 N CB 0.902 39.417 38.487 0.046 0.000 0.994 649 N HN 0.396 nan 8.380 nan 0.000 0.489 650 G N 0.452 109.323 108.800 0.118 0.000 2.142 650 G HA2 -0.205 3.755 3.960 0.001 0.000 0.225 650 G HA3 -0.205 3.755 3.960 0.001 0.000 0.225 650 G C 0.033 175.030 174.900 0.161 0.000 1.015 650 G CA 0.107 45.328 45.100 0.201 0.000 0.716 650 G HN 0.512 nan 8.290 nan 0.000 0.508 651 A N -0.282 122.605 122.820 0.113 0.000 2.295 651 A HA 0.880 5.201 4.320 0.001 0.000 0.318 651 A C 0.320 177.942 177.584 0.064 0.000 1.134 651 A CA -0.542 51.572 52.037 0.129 0.000 0.827 651 A CB 0.846 19.913 19.000 0.111 0.000 1.136 651 A HN 0.831 nan 8.150 nan 0.000 0.493 652 L N 1.104 122.366 121.223 0.066 0.000 2.322 652 L HA 0.434 4.775 4.340 0.001 0.000 0.279 652 L C 0.088 177.044 176.870 0.143 0.000 1.036 652 L CA -0.539 54.322 54.840 0.035 0.000 0.807 652 L CB 1.737 43.751 42.059 -0.075 0.000 1.226 652 L HN 0.648 nan 8.230 nan 0.000 0.433 653 T N 2.033 116.673 114.554 0.142 0.000 2.771 653 T HA 0.323 4.673 4.350 0.001 0.000 0.291 653 T C -0.018 174.842 174.700 0.266 0.000 0.954 653 T CA -0.349 61.841 62.100 0.151 0.000 1.045 653 T CB 1.433 70.352 68.868 0.086 0.000 0.917 653 T HN 0.210 nan 8.240 nan 0.000 0.484 654 V N 3.628 123.681 119.914 0.231 0.000 2.333 654 V HA 0.749 4.869 4.120 0.001 0.000 0.274 654 V C 0.647 176.965 176.094 0.374 0.000 1.028 654 V CA -0.266 62.214 62.300 0.299 0.000 0.851 654 V CB 0.886 32.797 31.823 0.147 0.000 1.000 654 V HN 1.081 nan 8.190 nan 0.000 0.456 655 G N 2.664 111.727 108.800 0.438 0.000 2.720 655 G HA2 0.602 4.562 3.960 0.001 0.000 0.295 655 G HA3 0.602 4.562 3.960 0.001 0.000 0.295 655 G C -0.446 174.409 174.900 -0.073 0.000 1.437 655 G CA -0.276 44.967 45.100 0.238 0.000 0.886 655 G HN 0.651 nan 8.290 nan 0.000 0.509 656 T N -0.620 113.750 114.554 -0.307 0.000 2.813 656 T HA 0.374 4.724 4.350 0.001 0.000 0.297 656 T C 0.583 175.174 174.700 -0.182 0.000 1.036 656 T CA -0.635 61.214 62.100 -0.419 0.000 1.044 656 T CB 1.217 69.861 68.868 -0.374 0.000 0.993 656 T HN 0.499 nan 8.240 nan 0.000 0.535 657 L N 2.551 123.678 121.223 -0.159 0.000 2.423 657 L HA 0.409 4.749 4.340 0.001 0.000 0.249 657 L C -0.603 176.231 176.870 -0.061 0.000 1.276 657 L CA 0.587 55.378 54.840 -0.083 0.000 1.199 657 L CB -1.434 40.584 42.059 -0.067 0.000 1.407 657 L HN 0.875 nan 8.230 nan 0.000 0.410 658 D N 0.964 121.333 120.400 -0.052 0.000 2.653 658 D HA 0.573 5.214 4.640 0.001 0.000 0.258 658 D C 0.418 176.702 176.300 -0.026 0.000 1.252 658 D CA 0.835 54.814 54.000 -0.036 0.000 0.777 658 D CB 1.717 42.490 40.800 -0.045 0.000 1.339 658 D HN 0.512 nan 8.370 nan 0.000 0.422 659 G N 0.671 109.462 108.800 -0.015 0.000 2.596 659 G HA2 -0.147 3.814 3.960 0.001 0.000 0.295 659 G HA3 -0.147 3.814 3.960 0.001 0.000 0.295 659 G C 1.122 176.015 174.900 -0.012 0.000 1.240 659 G CA 1.176 46.266 45.100 -0.016 0.000 0.985 659 G HN 1.287 nan 8.290 nan 0.000 0.555 660 A N -0.440 122.354 122.820 -0.043 0.000 2.066 660 A HA 0.061 4.381 4.320 0.001 0.000 0.218 660 A C 2.122 179.662 177.584 -0.073 0.000 1.157 660 A CA 2.018 54.009 52.037 -0.076 0.000 0.670 660 A CB -0.437 18.451 19.000 -0.187 0.000 0.804 660 A HN 0.637 nan 8.150 nan 0.000 0.453 661 N N 0.339 119.007 118.700 -0.053 0.000 2.289 661 N HA -0.149 4.592 4.740 0.001 0.000 0.184 661 N C 1.810 177.320 175.510 0.001 0.000 1.016 661 N CA 1.570 54.600 53.050 -0.032 0.000 0.872 661 N CB -0.611 37.860 38.487 -0.026 0.000 0.973 661 N HN 0.498 nan 8.380 nan 0.000 0.433 662 V N 0.301 120.221 119.914 0.011 0.000 2.379 662 V HA -0.120 4.001 4.120 0.001 0.000 0.245 662 V C 2.065 178.194 176.094 0.058 0.000 1.044 662 V CA 1.754 64.068 62.300 0.024 0.000 1.036 662 V CB -0.331 31.501 31.823 0.015 0.000 0.664 662 V HN 0.088 nan 8.190 nan 0.000 0.453 663 E N -0.008 120.256 120.200 0.106 0.000 2.106 663 E HA -0.107 4.244 4.350 0.001 0.000 0.192 663 E C 2.009 178.764 176.600 0.259 0.000 0.984 663 E CA 1.905 58.420 56.400 0.193 0.000 0.806 663 E CB -0.287 29.602 29.700 0.315 0.000 0.750 663 E HN 0.762 nan 8.360 nan 0.000 0.458 664 I N 0.377 121.079 120.570 0.220 0.000 2.202 664 I HA -0.253 3.917 4.170 0.001 0.000 0.242 664 I C 2.398 178.573 176.117 0.097 0.000 1.091 664 I CA 0.960 62.375 61.300 0.191 0.000 1.368 664 I CB -0.299 37.713 38.000 0.019 0.000 1.058 664 I HN 0.170 nan 8.210 nan 0.000 0.410 665 A N 0.268 123.117 122.820 0.049 0.000 1.892 665 A HA -0.312 4.008 4.320 0.001 0.000 0.218 665 A C 2.347 179.938 177.584 0.012 0.000 1.188 665 A CA 2.249 54.295 52.037 0.015 0.000 0.631 665 A CB -0.761 18.241 19.000 0.004 0.000 0.822 665 A HN 0.534 nan 8.150 nan 0.000 0.447 666 E N -0.605 119.611 120.200 0.027 0.000 2.072 666 E HA -0.213 4.138 4.350 0.001 0.000 0.191 666 E C 1.768 178.372 176.600 0.008 0.000 0.985 666 E CA 1.187 57.594 56.400 0.013 0.000 0.801 666 E CB -0.050 29.661 29.700 0.018 0.000 0.750 666 E HN 0.375 nan 8.360 nan 0.000 0.452 667 K N 0.368 120.786 120.400 0.029 0.000 2.062 667 K HA -0.080 4.241 4.320 0.001 0.000 0.205 667 K C 2.262 178.861 176.600 -0.000 0.000 1.051 667 K CA 1.308 57.600 56.287 0.009 0.000 0.941 667 K CB -0.330 32.182 32.500 0.019 0.000 0.719 667 K HN 0.293 nan 8.250 nan 0.000 0.440 668 V N -2.018 117.901 119.914 0.008 0.000 3.235 668 V HA 0.254 4.375 4.120 0.001 0.000 0.259 668 V C 0.732 176.795 176.094 -0.051 0.000 1.133 668 V CA 0.566 62.854 62.300 -0.020 0.000 1.128 668 V CB -0.946 30.865 31.823 -0.020 0.000 0.757 668 V HN 0.341 nan 8.190 nan 0.000 0.469 669 G N 1.653 110.426 108.800 -0.045 0.000 2.764 669 G HA2 -0.196 3.765 3.960 0.001 0.000 0.686 669 G HA3 -0.196 3.765 3.960 0.001 0.000 0.686 669 G C 0.067 174.916 174.900 -0.084 0.000 1.258 669 G CA 0.107 45.170 45.100 -0.060 0.000 0.846 669 G HN 0.765 nan 8.290 nan 0.000 0.596 670 E N 0.738 120.891 120.200 -0.080 0.000 2.265 670 E HA -0.135 4.216 4.350 0.001 0.000 0.196 670 E C 2.042 178.550 176.600 -0.154 0.000 0.996 670 E CA 1.275 57.616 56.400 -0.098 0.000 0.832 670 E CB -0.028 29.631 29.700 -0.068 0.000 0.756 670 E HN 0.771 nan 8.360 nan 0.000 0.491 671 E N 1.567 121.680 120.200 -0.145 0.000 2.338 671 E HA -0.155 4.195 4.350 0.001 0.000 0.197 671 E C 0.750 177.195 176.600 -0.259 0.000 1.007 671 E CA 0.747 57.041 56.400 -0.177 0.000 0.849 671 E CB -0.217 29.411 29.700 -0.120 0.000 0.774 671 E HN 0.288 nan 8.360 nan 0.000 0.506 672 N N 0.367 118.919 118.700 -0.247 0.000 2.234 672 N HA 0.288 5.028 4.740 0.001 0.000 0.227 672 N C -0.231 175.099 175.510 -0.300 0.000 1.151 672 N CA -0.030 52.858 53.050 -0.272 0.000 0.865 672 N CB 1.418 39.796 38.487 -0.182 0.000 1.066 672 N HN 0.239 nan 8.380 nan 0.000 0.515 673 I N -1.022 119.321 120.570 -0.378 0.000 3.093 673 I HA 0.372 4.542 4.170 0.001 0.000 0.308 673 I C -1.470 174.394 176.117 -0.421 0.000 1.303 673 I CA -0.802 60.340 61.300 -0.264 0.000 0.975 673 I CB 1.850 39.793 38.000 -0.095 0.000 1.286 673 I HN -0.269 nan 8.210 nan 0.000 0.459 674 F N 6.827 126.795 119.950 0.029 0.000 2.389 674 F HA 0.416 4.943 4.527 0.001 0.000 0.327 674 F C -0.081 175.806 175.800 0.145 0.000 1.204 674 F CA -0.583 57.460 58.000 0.072 0.000 1.209 674 F CB 0.295 39.336 39.000 0.068 0.000 1.460 674 F HN 0.041 nan 8.300 nan 0.000 0.537 675 I N 2.945 123.626 120.570 0.185 0.000 2.648 675 I HA 0.059 4.230 4.170 0.001 0.000 0.284 675 I C 0.064 176.322 176.117 0.234 0.000 1.153 675 I CA -0.038 61.357 61.300 0.158 0.000 1.426 675 I CB -0.487 37.539 38.000 0.044 0.000 1.381 675 I HN 0.328 nan 8.210 nan 0.000 0.571 676 F N 3.000 122.986 119.950 0.059 0.000 2.664 676 F HA 0.861 5.389 4.527 0.001 0.000 0.317 676 F C 0.085 175.890 175.800 0.008 0.000 1.108 676 F CA -0.413 57.613 58.000 0.044 0.000 0.957 676 F CB 1.260 40.311 39.000 0.084 0.000 1.365 676 F HN 0.830 nan 8.300 nan 0.000 0.475 677 G N 0.726 109.490 108.800 -0.060 0.000 2.796 677 G HA2 -0.060 3.901 3.960 0.001 0.000 0.571 677 G HA3 -0.060 3.901 3.960 0.001 0.000 0.571 677 G C -1.180 173.583 174.900 -0.228 0.000 1.370 677 G CA -0.594 44.400 45.100 -0.176 0.000 0.856 677 G HN 1.207 nan 8.290 nan 0.000 0.538 678 H N 0.809 119.835 119.070 -0.073 0.000 2.928 678 H HA 0.307 4.864 4.556 0.001 0.000 0.338 678 H C 1.560 176.826 175.328 -0.103 0.000 1.047 678 H CA 0.968 56.974 56.048 -0.069 0.000 1.435 678 H CB 0.320 30.033 29.762 -0.083 0.000 1.428 678 H HN 0.917 nan 8.280 nan 0.000 0.590 679 T N -1.366 113.209 114.554 0.034 0.000 2.726 679 T HA 0.047 4.398 4.350 0.001 0.000 0.294 679 T C 1.828 176.522 174.700 -0.010 0.000 1.013 679 T CA -0.729 61.367 62.100 -0.008 0.000 0.996 679 T CB 0.508 69.376 68.868 0.000 0.000 1.016 679 T HN 0.298 nan 8.240 nan 0.000 0.529 680 V N 1.533 121.433 119.914 -0.024 0.000 2.380 680 V HA -0.159 3.961 4.120 0.001 0.000 0.251 680 V C 2.654 178.731 176.094 -0.028 0.000 1.063 680 V CA 2.271 64.554 62.300 -0.030 0.000 1.055 680 V CB -1.129 30.677 31.823 -0.028 0.000 0.657 680 V HN 0.881 nan 8.190 nan 0.000 0.455 681 E N -0.486 119.704 120.200 -0.017 0.000 2.122 681 E HA -0.134 4.216 4.350 0.001 0.000 0.190 681 E C 2.252 178.845 176.600 -0.012 0.000 0.977 681 E CA 0.615 57.006 56.400 -0.015 0.000 0.820 681 E CB -0.248 29.447 29.700 -0.007 0.000 0.770 681 E HN 0.616 nan 8.360 nan 0.000 0.462 682 Q N 0.191 119.998 119.800 0.011 0.000 2.135 682 Q HA -0.134 4.207 4.340 0.001 0.000 0.204 682 Q C 2.156 178.114 176.000 -0.071 0.000 0.981 682 Q CA 1.312 57.130 55.803 0.024 0.000 0.856 682 Q CB -0.054 28.771 28.738 0.144 0.000 0.902 682 Q HN 0.131 nan 8.270 nan 0.000 0.425 683 V N 0.955 120.814 119.914 -0.092 0.000 2.307 683 V HA -0.290 3.831 4.120 0.001 0.000 0.245 683 V C 1.958 177.954 176.094 -0.164 0.000 1.045 683 V CA 1.922 64.111 62.300 -0.184 0.000 1.024 683 V CB -0.411 31.330 31.823 -0.136 0.000 0.651 683 V HN 0.305 nan 8.190 nan 0.000 0.449 684 K N 0.490 120.830 120.400 -0.100 0.000 2.020 684 K HA -0.194 4.126 4.320 0.001 0.000 0.212 684 K C 2.309 178.867 176.600 -0.069 0.000 1.050 684 K CA 1.717 57.957 56.287 -0.079 0.000 0.929 684 K CB -0.579 31.889 32.500 -0.054 0.000 0.714 684 K HN 0.465 nan 8.250 nan 0.000 0.443 685 A N 1.231 124.019 122.820 -0.054 0.000 1.908 685 A HA -0.181 4.140 4.320 0.001 0.000 0.218 685 A C 2.175 179.738 177.584 -0.035 0.000 1.181 685 A CA 1.507 53.526 52.037 -0.030 0.000 0.627 685 A CB -0.672 18.324 19.000 -0.008 0.000 0.818 685 A HN 0.221 nan 8.150 nan 0.000 0.445 686 I N -0.570 119.947 120.570 -0.089 0.000 2.286 686 I HA -0.238 3.933 4.170 0.001 0.000 0.248 686 I C 2.331 178.409 176.117 -0.064 0.000 1.115 686 I CA 1.033 62.275 61.300 -0.098 0.000 1.392 686 I CB -0.183 37.637 38.000 -0.299 0.000 1.065 686 I HN 0.293 nan 8.210 nan 0.000 0.418 687 L N -0.017 121.140 121.223 -0.110 0.000 2.109 687 L HA -0.112 4.229 4.340 0.001 0.000 0.207 687 L C 2.774 179.640 176.870 -0.006 0.000 1.086 687 L CA 0.997 55.804 54.840 -0.055 0.000 0.760 687 L CB -0.596 41.404 42.059 -0.098 0.000 0.910 687 L HN 0.220 nan 8.230 nan 0.000 0.437 688 A N 0.006 122.816 122.820 -0.017 0.000 1.873 688 A HA -0.240 4.081 4.320 0.001 0.000 0.215 688 A C 2.346 179.940 177.584 0.016 0.000 1.186 688 A CA 1.657 53.692 52.037 -0.004 0.000 0.616 688 A CB -0.386 18.608 19.000 -0.010 0.000 0.823 688 A HN 0.250 nan 8.150 nan 0.000 0.442 689 K N -1.109 119.308 120.400 0.028 0.000 2.280 689 K HA 0.085 4.406 4.320 0.001 0.000 0.202 689 K C 0.407 177.045 176.600 0.063 0.000 1.047 689 K CA 0.690 57.005 56.287 0.047 0.000 0.942 689 K CB -0.320 32.217 32.500 0.062 0.000 0.739 689 K HN 0.842 nan 8.250 nan 0.000 0.457 690 G N 0.641 109.489 108.800 0.079 0.000 3.421 690 G HA2 -0.240 3.721 3.960 0.001 0.000 0.686 690 G HA3 -0.240 3.721 3.960 0.001 0.000 0.686 690 G C -1.518 173.486 174.900 0.172 0.000 1.056 690 G CA -0.436 44.722 45.100 0.096 0.000 0.891 690 G HN 0.233 nan 8.290 nan 0.000 0.514 691 Y N 2.724 123.038 120.300 0.023 0.000 2.335 691 Y HA 0.671 5.222 4.550 0.001 0.000 0.338 691 Y C -0.589 175.349 175.900 0.064 0.000 0.977 691 Y CA -1.811 56.316 58.100 0.045 0.000 1.114 691 Y CB 2.307 40.744 38.460 -0.039 0.000 1.182 691 Y HN 0.473 nan 8.280 nan 0.000 0.463 692 D N 9.020 129.310 120.400 -0.184 0.000 2.462 692 D HA 0.332 4.972 4.640 0.001 0.000 0.249 692 D C -1.971 174.147 176.300 -0.303 0.000 1.117 692 D CA -2.565 51.299 54.000 -0.227 0.000 0.900 692 D CB 1.645 42.428 40.800 -0.028 0.000 1.039 692 D HN 0.352 nan 8.370 nan 0.000 0.516 693 P HA -0.156 nan 4.420 nan 0.000 0.216 693 P C 1.528 178.807 177.300 -0.035 0.000 1.150 693 P CA 0.536 63.373 63.100 -0.438 0.000 0.837 693 P CB 0.500 31.961 31.700 -0.397 0.000 0.786 694 V N 1.207 121.095 119.914 -0.043 0.000 2.343 694 V HA -0.226 3.895 4.120 0.001 0.000 0.247 694 V C 2.788 178.916 176.094 0.057 0.000 1.051 694 V CA 1.803 64.109 62.300 0.010 0.000 1.036 694 V CB -1.268 30.547 31.823 -0.013 0.000 0.654 694 V HN 0.137 nan 8.190 nan 0.000 0.451 695 K N -1.139 119.302 120.400 0.068 0.000 2.113 695 K HA -0.250 4.071 4.320 0.001 0.000 0.208 695 K C 1.951 178.596 176.600 0.075 0.000 1.047 695 K CA 2.293 58.613 56.287 0.055 0.000 0.928 695 K CB -0.227 32.292 32.500 0.032 0.000 0.716 695 K HN 0.596 nan 8.250 nan 0.000 0.446 696 W N 0.771 122.072 121.300 0.002 0.000 2.476 696 W HA 0.037 4.697 4.660 0.001 0.000 0.281 696 W C 2.270 178.811 176.519 0.037 0.000 1.230 696 W CA 0.527 57.907 57.345 0.058 0.000 1.287 696 W CB -0.332 29.204 29.460 0.126 0.000 1.108 696 W HN 0.109 nan 8.180 nan 0.000 0.567 697 R N 1.096 121.731 120.500 0.224 0.000 2.105 697 R HA -0.161 4.180 4.340 0.001 0.000 0.239 697 R C 1.704 178.042 176.300 0.064 0.000 1.135 697 R CA 1.318 57.477 56.100 0.098 0.000 0.967 697 R CB -0.125 30.201 30.300 0.044 0.000 0.861 697 R HN -0.052 nan 8.270 nan 0.000 0.442 698 K N 0.487 120.921 120.400 0.057 0.000 2.365 698 K HA -0.028 4.293 4.320 0.001 0.000 0.197 698 K C 1.637 178.251 176.600 0.023 0.000 1.042 698 K CA 0.777 57.080 56.287 0.027 0.000 0.987 698 K CB 0.142 32.649 32.500 0.013 0.000 0.779 698 K HN 0.243 nan 8.250 nan 0.000 0.484 699 K N 0.656 121.073 120.400 0.029 0.000 2.432 699 K HA -0.036 4.285 4.320 0.001 0.000 0.196 699 K C 0.217 176.850 176.600 0.056 0.000 1.038 699 K CA 0.435 56.732 56.287 0.017 0.000 0.986 699 K CB 0.296 32.782 32.500 -0.024 0.000 0.782 699 K HN 0.008 nan 8.250 nan 0.000 0.485 700 D N 0.588 121.039 120.400 0.085 0.000 2.421 700 D HA 0.084 4.724 4.640 0.001 0.000 0.254 700 D C 0.333 176.683 176.300 0.083 0.000 1.238 700 D CA -0.101 53.971 54.000 0.120 0.000 0.919 700 D CB 0.979 41.901 40.800 0.204 0.000 1.152 700 D HN -0.131 nan 8.370 nan 0.000 0.552 701 K N 1.292 121.735 120.400 0.073 0.000 2.034 701 K HA -0.124 4.196 4.320 0.001 0.000 0.214 701 K C 1.824 178.457 176.600 0.056 0.000 1.051 701 K CA 1.142 57.460 56.287 0.052 0.000 0.931 701 K CB -0.170 32.358 32.500 0.046 0.000 0.715 701 K HN 0.234 nan 8.250 nan 0.000 0.446 702 V N 1.970 121.943 119.914 0.099 0.000 2.295 702 V HA -0.235 3.885 4.120 0.001 0.000 0.246 702 V C 2.379 178.504 176.094 0.051 0.000 1.049 702 V CA 1.549 63.922 62.300 0.121 0.000 1.024 702 V CB -0.485 31.466 31.823 0.213 0.000 0.648 702 V HN 0.233 nan 8.190 nan 0.000 0.447 703 L N 0.566 121.771 121.223 -0.030 0.000 2.042 703 L HA -0.194 4.146 4.340 0.001 0.000 0.210 703 L C 2.085 178.839 176.870 -0.194 0.000 1.076 703 L CA 2.456 57.069 54.840 -0.380 0.000 0.749 703 L CB -0.933 40.853 42.059 -0.455 0.000 0.893 703 L HN 0.382 nan 8.230 nan 0.000 0.432 704 D N -0.715 119.642 120.400 -0.071 0.000 2.117 704 D HA -0.139 4.502 4.640 0.001 0.000 0.197 704 D C 2.119 178.408 176.300 -0.017 0.000 0.987 704 D CA 1.360 55.341 54.000 -0.030 0.000 0.829 704 D CB 0.015 40.814 40.800 -0.001 0.000 0.961 704 D HN 0.453 nan 8.370 nan 0.000 0.460 705 A N 0.130 122.947 122.820 -0.006 0.000 1.902 705 A HA -0.110 4.211 4.320 0.001 0.000 0.217 705 A C 2.490 180.083 177.584 0.014 0.000 1.181 705 A CA 2.273 54.314 52.037 0.007 0.000 0.623 705 A CB -0.917 18.091 19.000 0.013 0.000 0.818 705 A HN 0.284 nan 8.150 nan 0.000 0.443 706 V N -2.146 117.772 119.914 0.005 0.000 2.591 706 V HA -0.088 4.032 4.120 0.001 0.000 0.249 706 V C 2.241 178.346 176.094 0.018 0.000 1.053 706 V CA 1.567 63.883 62.300 0.026 0.000 1.068 706 V CB -0.978 30.859 31.823 0.024 0.000 0.689 706 V HN 0.419 nan 8.190 nan 0.000 0.462 707 L N -0.223 120.988 121.223 -0.019 0.000 2.083 707 L HA -0.127 4.214 4.340 0.001 0.000 0.209 707 L C 2.920 179.819 176.870 0.049 0.000 1.083 707 L CA 1.941 56.786 54.840 0.009 0.000 0.752 707 L CB -0.722 41.331 42.059 -0.009 0.000 0.899 707 L HN 0.282 nan 8.230 nan 0.000 0.433 708 K N 0.218 120.641 120.400 0.038 0.000 2.032 708 K HA -0.219 4.102 4.320 0.001 0.000 0.209 708 K C 1.977 178.614 176.600 0.062 0.000 1.048 708 K CA 1.651 57.963 56.287 0.042 0.000 0.927 708 K CB -0.202 32.310 32.500 0.021 0.000 0.712 708 K HN 0.416 nan 8.250 nan 0.000 0.441 709 E N 0.825 121.075 120.200 0.083 0.000 2.085 709 E HA -0.188 4.163 4.350 0.001 0.000 0.194 709 E C 2.032 178.763 176.600 0.218 0.000 0.994 709 E CA 1.063 57.540 56.400 0.128 0.000 0.801 709 E CB -0.141 29.694 29.700 0.225 0.000 0.743 709 E HN 0.244 nan 8.360 nan 0.000 0.453 710 L N 0.543 121.904 121.223 0.231 0.000 2.291 710 L HA -0.128 4.213 4.340 0.001 0.000 0.214 710 L C 1.903 178.949 176.870 0.292 0.000 1.120 710 L CA 0.862 55.881 54.840 0.297 0.000 0.799 710 L CB -0.091 42.051 42.059 0.139 0.000 0.925 710 L HN 0.094 nan 8.230 nan 0.000 0.446 711 E N -0.912 119.387 120.200 0.164 0.000 2.400 711 E HA -0.075 4.275 4.350 0.001 0.000 0.195 711 E C 2.095 178.721 176.600 0.044 0.000 1.012 711 E CA 0.787 57.250 56.400 0.106 0.000 0.875 711 E CB 0.266 30.016 29.700 0.083 0.000 0.859 711 E HN 0.370 nan 8.360 nan 0.000 0.498 712 S N -0.724 115.002 115.700 0.043 0.000 2.528 712 S HA 0.115 4.586 4.470 0.001 0.000 0.219 712 S C 1.676 176.253 174.600 -0.039 0.000 0.985 712 S CA 0.549 58.743 58.200 -0.010 0.000 0.914 712 S CB 0.360 63.548 63.200 -0.019 0.000 0.776 712 S HN 0.306 nan 8.310 nan 0.000 0.526 713 G N 1.853 110.643 108.800 -0.017 0.000 2.157 713 G HA2 -0.334 3.626 3.960 0.001 0.000 0.248 713 G HA3 -0.334 3.626 3.960 0.001 0.000 0.248 713 G C 0.698 175.564 174.900 -0.058 0.000 0.979 713 G CA 0.566 45.636 45.100 -0.049 0.000 0.650 713 G HN 0.603 nan 8.290 nan 0.000 0.529 714 K N -0.587 119.749 120.400 -0.107 0.000 2.103 714 K HA -0.062 4.258 4.320 0.001 0.000 0.207 714 K C 1.613 178.001 176.600 -0.353 0.000 1.048 714 K CA 1.669 57.779 56.287 -0.295 0.000 0.930 714 K CB -0.170 32.026 32.500 -0.507 0.000 0.716 714 K HN 0.504 nan 8.250 nan 0.000 0.444 715 Y N 0.061 120.415 120.300 0.089 0.000 2.468 715 Y HA 0.123 4.674 4.550 0.001 0.000 0.268 715 Y C 0.664 176.616 175.900 0.086 0.000 1.177 715 Y CA -0.011 58.148 58.100 0.098 0.000 1.265 715 Y CB 0.753 39.280 38.460 0.112 0.000 1.103 715 Y HN 0.070 nan 8.280 nan 0.000 0.522 716 S N -1.520 114.239 115.700 0.099 0.000 2.794 716 S HA 0.184 4.654 4.470 0.001 0.000 0.244 716 S C -0.237 174.345 174.600 -0.029 0.000 1.045 716 S CA -0.406 57.782 58.200 -0.020 0.000 1.114 716 S CB -0.232 62.828 63.200 -0.232 0.000 1.085 716 S HN 0.272 nan 8.310 nan 0.000 0.488 717 D N 1.296 121.689 120.400 -0.012 0.000 2.701 717 D HA -0.171 4.469 4.640 0.001 0.000 0.235 717 D C 1.282 177.559 176.300 -0.037 0.000 1.155 717 D CA 1.977 55.965 54.000 -0.020 0.000 0.649 717 D CB -1.491 39.307 40.800 -0.003 0.000 1.050 717 D HN 1.320 nan 8.370 nan 0.000 0.425 718 G N -0.045 108.722 108.800 -0.055 0.000 2.225 718 G HA2 -0.335 3.625 3.960 0.001 0.000 0.254 718 G HA3 -0.335 3.625 3.960 0.001 0.000 0.254 718 G C 0.052 174.896 174.900 -0.092 0.000 0.988 718 G CA 0.322 45.382 45.100 -0.067 0.000 0.625 718 G HN 0.724 nan 8.290 nan 0.000 0.527 719 D N 1.060 121.401 120.400 -0.099 0.000 2.348 719 D HA 0.362 5.002 4.640 0.001 0.000 0.259 719 D C 1.443 177.618 176.300 -0.208 0.000 1.296 719 D CA -0.003 53.917 54.000 -0.134 0.000 0.931 719 D CB 0.391 41.136 40.800 -0.091 0.000 1.067 719 D HN 0.421 nan 8.370 nan 0.000 0.503 720 K N 2.165 122.387 120.400 -0.296 0.000 2.432 720 K HA -0.042 4.278 4.320 0.001 0.000 0.196 720 K C 0.880 177.280 176.600 -0.334 0.000 1.038 720 K CA 0.509 56.607 56.287 -0.315 0.000 0.986 720 K CB 0.305 32.603 32.500 -0.337 0.000 0.782 720 K HN 0.502 nan 8.250 nan 0.000 0.485 721 H N -0.699 118.318 119.070 -0.087 0.000 2.575 721 H HA 0.239 4.796 4.556 0.001 0.000 0.267 721 H C 1.824 177.052 175.328 -0.167 0.000 0.966 721 H CA 0.436 56.428 56.048 -0.095 0.000 1.165 721 H CB 0.190 29.912 29.762 -0.068 0.000 1.433 721 H HN 0.161 nan 8.280 nan 0.000 0.544 722 A N 1.222 123.911 122.820 -0.219 0.000 1.896 722 A HA -0.224 4.096 4.320 0.001 0.000 0.220 722 A C 1.167 178.513 177.584 -0.397 0.000 1.206 722 A CA 1.775 53.560 52.037 -0.420 0.000 0.647 722 A CB -0.917 17.524 19.000 -0.932 0.000 0.828 722 A HN 0.236 nan 8.150 nan 0.000 0.455 723 F N -0.098 119.905 119.950 0.088 0.000 2.668 723 F HA 0.218 4.746 4.527 0.001 0.000 0.297 723 F C 1.140 176.934 175.800 -0.010 0.000 1.124 723 F CA -0.842 57.185 58.000 0.047 0.000 1.353 723 F CB -0.377 38.620 39.000 -0.005 0.000 0.992 723 F HN 0.088 nan 8.300 nan 0.000 0.524 724 D N 0.762 121.173 120.400 0.017 0.000 2.157 724 D HA -0.233 4.408 4.640 0.001 0.000 0.191 724 D C 2.037 178.136 176.300 -0.334 0.000 1.004 724 D CA 1.637 55.497 54.000 -0.233 0.000 0.854 724 D CB -0.017 40.612 40.800 -0.285 0.000 0.936 724 D HN 0.397 nan 8.370 nan 0.000 0.446 725 Q N -0.659 119.069 119.800 -0.119 0.000 2.046 725 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 725 Q C 2.259 178.280 176.000 0.034 0.000 0.975 725 Q CA 0.831 56.606 55.803 -0.046 0.000 0.836 725 Q CB -0.092 28.657 28.738 0.018 0.000 0.896 725 Q HN 0.335 nan 8.270 nan 0.000 0.428 726 M N 0.164 119.800 119.600 0.061 0.000 2.067 726 M HA -0.206 4.274 4.480 0.001 0.000 0.260 726 M C 1.639 178.017 176.300 0.131 0.000 1.069 726 M CA 1.279 56.624 55.300 0.075 0.000 1.117 726 M CB 0.027 32.656 32.600 0.050 0.000 1.334 726 M HN 0.211 nan 8.290 nan 0.000 0.407 727 L N 0.196 121.498 121.223 0.132 0.000 1.989 727 L HA -0.248 4.093 4.340 0.001 0.000 0.211 727 L C 2.558 179.579 176.870 0.252 0.000 1.071 727 L CA 1.970 56.915 54.840 0.175 0.000 0.749 727 L CB -2.040 40.131 42.059 0.186 0.000 0.890 727 L HN 0.381 nan 8.230 nan 0.000 0.431 728 H N -0.887 118.238 119.070 0.092 0.000 2.421 728 H HA -0.054 4.503 4.556 0.001 0.000 0.298 728 H C 2.437 177.812 175.328 0.077 0.000 1.087 728 H CA 1.154 57.245 56.048 0.072 0.000 1.330 728 H CB -0.633 29.165 29.762 0.060 0.000 1.388 728 H HN 0.444 nan 8.280 nan 0.000 0.526 729 S N 0.769 116.599 115.700 0.217 0.000 2.399 729 S HA -0.111 4.359 4.470 0.001 0.000 0.231 729 S C 1.955 176.660 174.600 0.175 0.000 1.022 729 S CA 1.387 59.700 58.200 0.187 0.000 0.983 729 S CB -0.631 62.685 63.200 0.193 0.000 0.803 729 S HN 0.633 nan 8.310 nan 0.000 0.480 730 I N -1.447 119.224 120.570 0.168 0.000 3.968 730 I HA 0.461 4.631 4.170 0.001 0.000 0.328 730 I C 1.213 177.367 176.117 0.063 0.000 1.290 730 I CA -0.108 61.266 61.300 0.123 0.000 1.163 730 I CB -0.592 37.479 38.000 0.118 0.000 1.024 730 I HN 0.304 nan 8.210 nan 0.000 0.413 731 G N 1.073 109.917 108.800 0.073 0.000 2.782 731 G HA2 0.201 4.162 3.960 0.001 0.000 0.201 731 G HA3 0.201 4.162 3.960 0.001 0.000 0.201 731 G C 0.606 175.502 174.900 -0.007 0.000 1.374 731 G CA -0.234 44.886 45.100 0.033 0.000 1.039 731 G HN -0.145 nan 8.290 nan 0.000 0.576 732 K N -0.534 119.846 120.400 -0.033 0.000 2.062 732 K HA -0.044 4.276 4.320 0.001 0.000 0.205 732 K C 2.782 179.355 176.600 -0.046 0.000 1.051 732 K CA 1.186 57.442 56.287 -0.052 0.000 0.941 732 K CB -0.352 32.113 32.500 -0.059 0.000 0.719 732 K HN 0.398 nan 8.250 nan 0.000 0.440 733 Q N -0.897 118.865 119.800 -0.062 0.000 2.030 733 Q HA -0.099 4.241 4.340 0.001 0.000 0.204 733 Q C 2.062 178.072 176.000 0.017 0.000 0.986 733 Q CA 2.025 57.800 55.803 -0.048 0.000 0.843 733 Q CB -0.608 28.061 28.738 -0.114 0.000 0.904 733 Q HN 0.440 nan 8.270 nan 0.000 0.420 734 G N -1.733 107.099 108.800 0.053 0.000 2.539 734 G HA2 0.248 4.209 3.960 0.001 0.000 0.215 734 G HA3 0.248 4.209 3.960 0.001 0.000 0.215 734 G C 0.927 175.852 174.900 0.043 0.000 1.141 734 G CA 0.313 45.456 45.100 0.071 0.000 0.806 734 G HN 0.586 nan 8.290 nan 0.000 0.533 735 G N 0.318 109.129 108.800 0.018 0.000 2.143 735 G HA2 -0.257 3.703 3.960 0.001 0.000 0.248 735 G HA3 -0.257 3.703 3.960 0.001 0.000 0.248 735 G C 0.260 175.171 174.900 0.019 0.000 0.991 735 G CA 0.938 46.031 45.100 -0.013 0.000 0.689 735 G HN 1.127 nan 8.290 nan 0.000 0.522 736 D N -0.877 119.560 120.400 0.062 0.000 2.803 736 D HA -0.153 4.488 4.640 0.001 0.000 0.233 736 D C -0.012 176.364 176.300 0.127 0.000 1.182 736 D CA 1.171 55.249 54.000 0.131 0.000 0.726 736 D CB -0.113 40.774 40.800 0.145 0.000 0.987 736 D HN 0.408 nan 8.370 nan 0.000 0.412 737 P HA -0.133 nan 4.420 nan 0.000 0.230 737 P C 0.647 177.634 177.300 -0.521 0.000 1.158 737 P CA 0.980 63.908 63.100 -0.287 0.000 0.769 737 P CB -0.072 31.366 31.700 -0.438 0.000 0.807 738 Y N -0.853 119.500 120.300 0.088 0.000 2.507 738 Y HA 0.331 4.881 4.550 0.001 0.000 0.254 738 Y C 1.482 177.367 175.900 -0.024 0.000 1.171 738 Y CA -0.584 57.549 58.100 0.055 0.000 1.238 738 Y CB -0.047 38.505 38.460 0.154 0.000 1.148 738 Y HN -0.295 nan 8.280 nan 0.000 0.525 739 L N -0.843 120.389 121.223 0.014 0.000 3.898 739 L HA -0.338 4.002 4.340 0.001 0.000 0.407 739 L C 1.118 177.969 176.870 -0.033 0.000 1.207 739 L CA -0.085 54.682 54.840 -0.123 0.000 0.931 739 L CB -2.137 39.747 42.059 -0.292 0.000 2.014 739 L HN 0.131 nan 8.230 nan 0.000 0.858 740 V N -0.638 119.281 119.914 0.010 0.000 2.282 740 V HA -0.366 3.754 4.120 0.001 0.000 0.249 740 V C 2.458 178.591 176.094 0.065 0.000 1.057 740 V CA 2.678 64.969 62.300 -0.016 0.000 1.032 740 V CB -0.302 31.435 31.823 -0.143 0.000 0.645 740 V HN 0.474 nan 8.190 nan 0.000 0.447 741 M N -0.446 119.188 119.600 0.058 0.000 2.132 741 M HA -0.058 4.423 4.480 0.001 0.000 0.263 741 M C 2.352 178.695 176.300 0.070 0.000 1.065 741 M CA 2.136 57.484 55.300 0.080 0.000 1.122 741 M CB -1.411 31.227 32.600 0.063 0.000 1.365 741 M HN 0.418 nan 8.290 nan 0.000 0.411 742 A N -0.488 122.216 122.820 -0.195 0.000 2.014 742 A HA -0.116 4.205 4.320 0.001 0.000 0.218 742 A C 1.715 179.358 177.584 0.100 0.000 1.163 742 A CA 1.469 53.172 52.037 -0.556 0.000 0.652 742 A CB -0.375 17.999 19.000 -1.043 0.000 0.808 742 A HN 0.365 nan 8.150 nan 0.000 0.449 743 D N -2.125 118.385 120.400 0.182 0.000 2.379 743 D HA 0.112 4.753 4.640 0.001 0.000 0.208 743 D C 1.199 177.711 176.300 0.352 0.000 1.065 743 D CA -0.092 54.084 54.000 0.293 0.000 0.848 743 D CB -0.089 40.859 40.800 0.247 0.000 0.949 743 D HN 0.393 nan 8.370 nan 0.000 0.509 744 F N 2.240 122.311 119.950 0.202 0.000 2.069 744 F HA -0.219 4.308 4.527 0.001 0.000 0.298 744 F C 2.164 178.087 175.800 0.204 0.000 1.113 744 F CA 1.920 60.046 58.000 0.209 0.000 1.214 744 F CB -0.192 38.913 39.000 0.176 0.000 0.978 744 F HN -0.035 nan 8.300 nan 0.000 0.474 745 A N 0.421 123.397 122.820 0.259 0.000 1.908 745 A HA -0.114 4.206 4.320 0.001 0.000 0.218 745 A C 2.393 179.981 177.584 0.007 0.000 1.181 745 A CA 2.022 54.117 52.037 0.097 0.000 0.627 745 A CB -1.649 17.490 19.000 0.231 0.000 0.818 745 A HN 0.565 nan 8.150 nan 0.000 0.445 746 A N -1.642 121.246 122.820 0.114 0.000 1.933 746 A HA -0.094 4.226 4.320 0.001 0.000 0.218 746 A C 2.156 179.767 177.584 0.045 0.000 1.175 746 A CA 1.727 53.844 52.037 0.133 0.000 0.628 746 A CB -0.754 18.379 19.000 0.222 0.000 0.814 746 A HN 0.709 nan 8.150 nan 0.000 0.444 747 Y N 0.581 120.723 120.300 -0.263 0.000 2.163 747 Y HA -0.139 4.412 4.550 0.001 0.000 0.288 747 Y C 2.417 177.897 175.900 -0.700 0.000 1.136 747 Y CA 1.561 59.149 58.100 -0.853 0.000 1.147 747 Y CB -0.664 37.366 38.460 -0.716 0.000 0.987 747 Y HN 0.054 nan 8.280 nan 0.000 0.509 748 V N 0.599 120.124 119.914 -0.647 0.000 2.332 748 V HA -0.268 3.853 4.120 0.001 0.000 0.248 748 V C 2.500 178.359 176.094 -0.391 0.000 1.055 748 V CA 2.221 64.144 62.300 -0.628 0.000 1.038 748 V CB -0.633 30.865 31.823 -0.541 0.000 0.651 748 V HN 0.307 nan 8.190 nan 0.000 0.450 749 E N 0.577 120.627 120.200 -0.249 0.000 2.033 749 E HA -0.244 4.107 4.350 0.001 0.000 0.199 749 E C 2.317 178.834 176.600 -0.138 0.000 1.011 749 E CA 2.002 58.326 56.400 -0.126 0.000 0.815 749 E CB -0.679 28.996 29.700 -0.041 0.000 0.755 749 E HN 0.522 nan 8.360 nan 0.000 0.451 750 A N 1.000 123.713 122.820 -0.178 0.000 1.940 750 A HA -0.209 4.112 4.320 0.001 0.000 0.219 750 A C 2.126 179.545 177.584 -0.275 0.000 1.176 750 A CA 1.646 53.616 52.037 -0.112 0.000 0.631 750 A CB -0.442 18.505 19.000 -0.089 0.000 0.814 750 A HN 0.227 nan 8.150 nan 0.000 0.446 751 Q N -0.200 119.308 119.800 -0.487 0.000 2.119 751 Q HA -0.128 4.213 4.340 0.001 0.000 0.201 751 Q C 1.955 177.790 176.000 -0.275 0.000 0.972 751 Q CA 1.516 57.014 55.803 -0.508 0.000 0.847 751 Q CB -0.263 27.997 28.738 -0.797 0.000 0.903 751 Q HN 0.732 nan 8.270 nan 0.000 0.433 752 K N 0.654 120.945 120.400 -0.182 0.000 2.063 752 K HA -0.175 4.146 4.320 0.001 0.000 0.208 752 K C 2.161 178.741 176.600 -0.033 0.000 1.048 752 K CA 1.222 57.462 56.287 -0.079 0.000 0.928 752 K CB -0.038 32.432 32.500 -0.049 0.000 0.713 752 K HN 0.246 nan 8.250 nan 0.000 0.442 753 Q N 0.314 120.113 119.800 -0.001 0.000 2.170 753 Q HA -0.141 4.199 4.340 0.001 0.000 0.203 753 Q C 2.124 178.216 176.000 0.153 0.000 0.976 753 Q CA 1.154 57.040 55.803 0.138 0.000 0.858 753 Q CB -0.074 28.842 28.738 0.297 0.000 0.907 753 Q HN 0.112 nan 8.270 nan 0.000 0.433 754 V N 1.391 121.166 119.914 -0.232 0.000 2.287 754 V HA -0.301 3.820 4.120 0.001 0.000 0.248 754 V C 1.346 177.451 176.094 0.019 0.000 1.053 754 V CA 2.240 64.340 62.300 -0.334 0.000 1.027 754 V CB -0.547 30.930 31.823 -0.577 0.000 0.646 754 V HN 0.355 nan 8.190 nan 0.000 0.447 755 D N -0.219 120.160 120.400 -0.035 0.000 2.133 755 D HA -0.182 4.459 4.640 0.001 0.000 0.192 755 D C 2.071 178.429 176.300 0.097 0.000 1.001 755 D CA 1.666 55.669 54.000 0.006 0.000 0.844 755 D CB -0.377 40.413 40.800 -0.016 0.000 0.944 755 D HN 0.288 nan 8.370 nan 0.000 0.447 756 V N 0.280 120.265 119.914 0.117 0.000 2.295 756 V HA -0.201 3.920 4.120 0.001 0.000 0.246 756 V C 2.288 178.499 176.094 0.196 0.000 1.049 756 V CA 1.148 63.529 62.300 0.134 0.000 1.024 756 V CB -0.426 31.473 31.823 0.127 0.000 0.648 756 V HN 0.185 nan 8.190 nan 0.000 0.447 757 L N -1.141 120.276 121.223 0.322 0.000 2.141 757 L HA -0.134 4.206 4.340 0.001 0.000 0.209 757 L C 2.208 179.356 176.870 0.463 0.000 1.094 757 L CA 1.828 56.928 54.840 0.433 0.000 0.763 757 L CB -0.734 41.708 42.059 0.639 0.000 0.908 757 L HN 0.432 nan 8.230 nan 0.000 0.437 758 Y N -0.179 120.234 120.300 0.189 0.000 2.373 758 Y HA -0.135 4.416 4.550 0.001 0.000 0.293 758 Y C 2.540 178.361 175.900 -0.132 0.000 1.129 758 Y CA 1.249 59.226 58.100 -0.206 0.000 1.226 758 Y CB -0.002 38.112 38.460 -0.577 0.000 1.000 758 Y HN 0.102 nan 8.280 nan 0.000 0.549 759 R N -0.367 120.161 120.500 0.047 0.000 2.115 759 R HA -0.121 4.219 4.340 0.001 0.000 0.230 759 R C 0.293 176.572 176.300 -0.035 0.000 1.111 759 R CA 1.124 57.222 56.100 -0.004 0.000 0.976 759 R CB -0.282 30.039 30.300 0.035 0.000 0.870 759 R HN 0.156 nan 8.270 nan 0.000 0.445 760 D N 0.993 121.401 120.400 0.012 0.000 2.517 760 D HA -0.009 4.631 4.640 0.001 0.000 0.220 760 D C 0.808 177.116 176.300 0.014 0.000 1.158 760 D CA 0.046 54.060 54.000 0.024 0.000 0.992 760 D CB 0.758 41.600 40.800 0.069 0.000 1.058 760 D HN -0.045 nan 8.370 nan 0.000 0.516 761 Q N 1.784 121.549 119.800 -0.057 0.000 2.135 761 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 761 Q C 1.546 177.564 176.000 0.030 0.000 0.981 761 Q CA 1.055 56.811 55.803 -0.078 0.000 0.856 761 Q CB 0.061 28.717 28.738 -0.137 0.000 0.902 761 Q HN 0.703 nan 8.270 nan 0.000 0.425 762 E N -0.223 119.993 120.200 0.026 0.000 2.051 762 E HA -0.169 4.182 4.350 0.001 0.000 0.192 762 E C 1.810 178.440 176.600 0.051 0.000 0.991 762 E CA 1.146 57.568 56.400 0.036 0.000 0.799 762 E CB -0.023 29.689 29.700 0.020 0.000 0.748 762 E HN 0.285 nan 8.360 nan 0.000 0.449 763 A N 1.618 124.475 122.820 0.063 0.000 1.930 763 A HA -0.182 4.139 4.320 0.001 0.000 0.217 763 A C 2.047 179.686 177.584 0.092 0.000 1.175 763 A CA 1.195 53.268 52.037 0.060 0.000 0.627 763 A CB -1.215 17.826 19.000 0.068 0.000 0.815 763 A HN 0.736 nan 8.150 nan 0.000 0.443 764 W N 1.131 122.414 121.300 -0.028 0.000 2.354 764 W HA -0.161 4.500 4.660 0.001 0.000 0.315 764 W C 1.821 178.340 176.519 0.000 0.000 1.206 764 W CA 2.322 59.665 57.345 -0.003 0.000 1.290 764 W CB -0.747 28.663 29.460 -0.083 0.000 1.152 764 W HN 0.362 nan 8.180 nan 0.000 0.489 765 T N 1.125 115.798 114.554 0.198 0.000 2.788 765 T HA -0.175 4.176 4.350 0.001 0.000 0.268 765 T C 1.863 176.517 174.700 -0.076 0.000 1.044 765 T CA 1.651 63.811 62.100 0.100 0.000 1.139 765 T CB -0.301 68.648 68.868 0.136 0.000 0.867 765 T HN 0.156 nan 8.240 nan 0.000 0.454 766 R N 1.056 121.519 120.500 -0.061 0.000 2.115 766 R HA -0.152 4.188 4.340 0.001 0.000 0.239 766 R C 2.818 179.021 176.300 -0.161 0.000 1.133 766 R CA 1.703 57.741 56.100 -0.103 0.000 0.935 766 R CB -0.675 29.584 30.300 -0.068 0.000 0.853 766 R HN 0.392 nan 8.270 nan 0.000 0.433 767 A N 1.030 123.734 122.820 -0.194 0.000 1.902 767 A HA -0.120 4.200 4.320 0.001 0.000 0.217 767 A C 2.405 179.840 177.584 -0.249 0.000 1.181 767 A CA 1.731 53.623 52.037 -0.241 0.000 0.623 767 A CB -0.739 18.067 19.000 -0.322 0.000 0.818 767 A HN 0.456 nan 8.150 nan 0.000 0.443 768 A N 0.021 122.665 122.820 -0.293 0.000 1.883 768 A HA -0.159 4.162 4.320 0.001 0.000 0.217 768 A C 2.122 179.631 177.584 -0.124 0.000 1.186 768 A CA 1.686 53.633 52.037 -0.151 0.000 0.624 768 A CB -0.693 18.315 19.000 0.013 0.000 0.822 768 A HN 0.510 nan 8.150 nan 0.000 0.444 769 I N -0.395 119.978 120.570 -0.328 0.000 2.208 769 I HA -0.275 3.896 4.170 0.001 0.000 0.245 769 I C 2.320 178.341 176.117 -0.160 0.000 1.097 769 I CA 1.194 62.256 61.300 -0.397 0.000 1.363 769 I CB -0.242 37.514 38.000 -0.407 0.000 1.051 769 I HN 0.309 nan 8.210 nan 0.000 0.413 770 L N -0.038 121.102 121.223 -0.138 0.000 2.156 770 L HA -0.155 4.186 4.340 0.001 0.000 0.208 770 L C 2.267 179.104 176.870 -0.055 0.000 1.095 770 L CA 0.975 55.758 54.840 -0.094 0.000 0.770 770 L CB -0.722 41.275 42.059 -0.104 0.000 0.914 770 L HN 0.355 nan 8.230 nan 0.000 0.439 771 N N -0.276 118.394 118.700 -0.051 0.000 2.043 771 N HA -0.181 4.560 4.740 0.001 0.000 0.193 771 N C 1.701 177.233 175.510 0.037 0.000 1.037 771 N CA 2.127 55.175 53.050 -0.003 0.000 0.851 771 N CB -0.194 38.287 38.487 -0.009 0.000 1.027 771 N HN 0.288 nan 8.380 nan 0.000 0.422 772 T N 1.342 115.928 114.554 0.054 0.000 2.635 772 T HA -0.151 4.200 4.350 0.001 0.000 0.267 772 T C 1.996 176.714 174.700 0.030 0.000 1.040 772 T CA 1.599 63.741 62.100 0.070 0.000 1.156 772 T CB -0.347 68.600 68.868 0.132 0.000 0.863 772 T HN 0.377 nan 8.240 nan 0.000 0.430 773 A N 1.029 123.850 122.820 0.003 0.000 1.969 773 A HA -0.001 4.320 4.320 0.001 0.000 0.218 773 A C 2.227 179.804 177.584 -0.011 0.000 1.169 773 A CA 1.110 53.138 52.037 -0.016 0.000 0.635 773 A CB -0.292 18.686 19.000 -0.037 0.000 0.810 773 A HN 0.409 nan 8.150 nan 0.000 0.445 774 R N -2.047 118.451 120.500 -0.003 0.000 2.334 774 R HA 0.169 4.510 4.340 0.001 0.000 0.216 774 R C 0.199 176.500 176.300 0.002 0.000 0.905 774 R CA 0.139 56.233 56.100 -0.009 0.000 1.064 774 R CB -0.006 30.285 30.300 -0.014 0.000 1.046 774 R HN 0.450 nan 8.270 nan 0.000 0.508 775 C N -0.135 119.194 119.300 0.049 0.000 2.760 775 C HA 0.246 4.707 4.460 0.001 0.000 0.293 775 C C 2.000 177.031 174.990 0.069 0.000 1.383 775 C CA -0.682 58.414 59.018 0.129 0.000 1.771 775 C CB -0.118 27.807 27.740 0.309 0.000 2.353 775 C HN 0.646 nan 8.230 nan 0.000 0.578 776 G N 1.837 110.634 108.800 -0.004 0.000 2.470 776 G HA2 -0.255 3.706 3.960 0.001 0.000 0.220 776 G HA3 -0.255 3.706 3.960 0.001 0.000 0.220 776 G C 1.530 176.397 174.900 -0.055 0.000 1.121 776 G CA 1.142 46.246 45.100 0.007 0.000 0.766 776 G HN 0.708 nan 8.290 nan 0.000 0.553 777 M N -1.820 117.642 119.600 -0.230 0.000 2.557 777 M HA 0.336 4.816 4.480 0.001 0.000 0.259 777 M C 1.176 177.314 176.300 -0.270 0.000 1.086 777 M CA 0.963 56.088 55.300 -0.291 0.000 1.096 777 M CB -0.240 32.106 32.600 -0.422 0.000 1.424 777 M HN -0.018 nan 8.290 nan 0.000 0.488 778 F N 1.037 121.015 119.950 0.048 0.000 2.811 778 F HA 0.291 4.818 4.527 0.001 0.000 0.301 778 F C 1.377 177.229 175.800 0.087 0.000 1.151 778 F CA -0.471 57.564 58.000 0.059 0.000 1.412 778 F CB -0.764 38.261 39.000 0.041 0.000 1.113 778 F HN 0.135 nan 8.300 nan 0.000 0.579 779 S N 0.193 116.011 115.700 0.198 0.000 2.549 779 S HA 0.029 4.500 4.470 0.001 0.000 0.286 779 S C 1.569 176.281 174.600 0.187 0.000 1.314 779 S CA 0.182 58.489 58.200 0.178 0.000 1.062 779 S CB 0.575 63.850 63.200 0.125 0.000 0.865 779 S HN 0.396 nan 8.310 nan 0.000 0.498 780 S N 3.273 119.106 115.700 0.222 0.000 2.453 780 S HA -0.080 4.390 4.470 0.001 0.000 0.231 780 S C 1.061 175.756 174.600 0.159 0.000 1.005 780 S CA 0.778 59.145 58.200 0.279 0.000 0.949 780 S CB -0.339 63.097 63.200 0.392 0.000 0.774 780 S HN 0.780 nan 8.310 nan 0.000 0.510 781 D N 1.937 122.404 120.400 0.113 0.000 2.117 781 D HA -0.096 4.544 4.640 0.001 0.000 0.197 781 D C 2.083 178.405 176.300 0.038 0.000 0.987 781 D CA 0.885 54.924 54.000 0.065 0.000 0.829 781 D CB -0.373 40.457 40.800 0.051 0.000 0.961 781 D HN 0.287 nan 8.370 nan 0.000 0.460 782 R N 0.963 121.486 120.500 0.038 0.000 2.096 782 R HA -0.053 4.288 4.340 0.001 0.000 0.235 782 R C 2.032 178.317 176.300 -0.024 0.000 1.127 782 R CA 0.899 57.002 56.100 0.004 0.000 0.968 782 R CB -0.315 29.985 30.300 0.000 0.000 0.861 782 R HN 0.045 nan 8.270 nan 0.000 0.440 783 S N 1.086 116.790 115.700 0.008 0.000 2.370 783 S HA -0.120 4.350 4.470 0.001 0.000 0.226 783 S C 1.941 176.470 174.600 -0.117 0.000 1.033 783 S CA 1.173 59.345 58.200 -0.047 0.000 1.011 783 S CB -0.152 63.085 63.200 0.061 0.000 0.852 783 S HN 0.221 nan 8.310 nan 0.000 0.457 784 I N 1.441 121.954 120.570 -0.095 0.000 2.252 784 I HA -0.050 4.121 4.170 0.001 0.000 0.245 784 I C 2.373 178.462 176.117 -0.047 0.000 1.102 784 I CA 1.156 62.425 61.300 -0.052 0.000 1.385 784 I CB -1.175 36.843 38.000 0.030 0.000 1.064 784 I HN 0.138 nan 8.210 nan 0.000 0.414 785 R N 1.157 121.633 120.500 -0.040 0.000 2.091 785 R HA -0.168 4.173 4.340 0.001 0.000 0.238 785 R C 1.816 178.048 176.300 -0.114 0.000 1.136 785 R CA 1.294 57.367 56.100 -0.045 0.000 0.959 785 R CB -0.987 29.294 30.300 -0.032 0.000 0.856 785 R HN 0.381 nan 8.270 nan 0.000 0.437 786 D N -0.786 119.507 120.400 -0.177 0.000 2.117 786 D HA -0.128 4.513 4.640 0.001 0.000 0.198 786 D C 1.938 177.981 176.300 -0.428 0.000 0.982 786 D CA 1.039 54.876 54.000 -0.271 0.000 0.828 786 D CB -0.331 40.286 40.800 -0.304 0.000 0.967 786 D HN 0.231 nan 8.370 nan 0.000 0.464 787 Y N 1.437 121.393 120.300 -0.572 0.000 2.181 787 Y HA -0.172 4.378 4.550 0.001 0.000 0.288 787 Y C 2.610 178.010 175.900 -0.834 0.000 1.146 787 Y CA 1.245 58.733 58.100 -1.022 0.000 1.164 787 Y CB -0.337 36.918 38.460 -2.009 0.000 0.982 787 Y HN 0.034 nan 8.280 nan 0.000 0.515 788 Q N -0.613 119.014 119.800 -0.287 0.000 2.020 788 Q HA -0.215 4.125 4.340 0.001 0.000 0.202 788 Q C 2.588 178.572 176.000 -0.028 0.000 0.982 788 Q CA 1.552 57.362 55.803 0.013 0.000 0.838 788 Q CB -0.413 28.388 28.738 0.105 0.000 0.899 788 Q HN 0.527 nan 8.270 nan 0.000 0.423 789 A N 1.079 123.849 122.820 -0.083 0.000 1.898 789 A HA -0.150 4.171 4.320 0.001 0.000 0.216 789 A C 1.938 179.468 177.584 -0.090 0.000 1.181 789 A CA 1.240 53.238 52.037 -0.064 0.000 0.620 789 A CB -0.236 18.727 19.000 -0.061 0.000 0.819 789 A HN 0.207 nan 8.150 nan 0.000 0.442 790 R N -1.483 118.904 120.500 -0.189 0.000 2.223 790 R HA 0.352 4.692 4.340 0.001 0.000 0.198 790 R C 1.077 177.188 176.300 -0.314 0.000 0.984 790 R CA 1.042 56.991 56.100 -0.252 0.000 1.018 790 R CB 0.041 30.118 30.300 -0.373 0.000 0.945 790 R HN 0.551 nan 8.270 nan 0.000 0.479 791 I N -2.425 118.009 120.570 -0.227 0.000 3.626 791 I HA 0.018 4.188 4.170 0.001 0.000 0.256 791 I C 1.206 177.472 176.117 0.249 0.000 1.105 791 I CA -0.273 61.007 61.300 -0.032 0.000 1.656 791 I CB -0.243 37.637 38.000 -0.200 0.000 1.672 791 I HN 0.009 nan 8.210 nan 0.000 0.421 792 W N 2.136 123.520 121.300 0.140 0.000 2.374 792 W HA -0.058 4.603 4.660 0.001 0.000 0.288 792 W C 1.853 178.400 176.519 0.047 0.000 1.218 792 W CA 0.730 58.145 57.345 0.118 0.000 1.245 792 W CB -0.665 28.848 29.460 0.088 0.000 1.126 792 W HN 0.293 nan 8.180 nan 0.000 0.545 793 Q N -1.123 118.817 119.800 0.233 0.000 2.194 793 Q HA 0.326 4.667 4.340 0.001 0.000 0.214 793 Q C 0.695 176.726 176.000 0.053 0.000 0.838 793 Q CA 0.041 55.914 55.803 0.117 0.000 0.972 793 Q CB -0.143 28.658 28.738 0.105 0.000 1.131 793 Q HN -0.007 nan 8.270 nan 0.000 0.498 794 A N 1.810 124.660 122.820 0.051 0.000 2.429 794 A HA 0.261 4.582 4.320 0.001 0.000 0.242 794 A C 0.387 177.966 177.584 -0.008 0.000 1.088 794 A CA -0.194 51.859 52.037 0.026 0.000 0.784 794 A CB 0.252 19.280 19.000 0.047 0.000 1.038 794 A HN 0.137 nan 8.150 nan 0.000 0.501 795 K N 0.876 121.273 120.400 -0.005 0.000 2.218 795 K HA 0.373 4.694 4.320 0.001 0.000 0.276 795 K C 0.022 176.597 176.600 -0.042 0.000 1.022 795 K CA -0.049 56.222 56.287 -0.027 0.000 0.946 795 K CB 0.680 33.176 32.500 -0.008 0.000 1.000 795 K HN 0.670 nan 8.250 nan 0.000 0.468 796 R N 0.000 120.448 120.500 -0.086 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 56.034 56.100 -0.109 0.000 0.921 796 R CB 0.000 30.163 30.300 -0.229 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535