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 1r9e_1_A DATA FIRST_RESID 2 DATA SEQUENCE ISKGFSTQTE RINILKAQIL NAKPCVESER AILITESFKQ TEGQPAILRR DATA SEQUENCE ALALKHILEN IPITIRDQEL IVGSLTKEPR SSQVFPEFSN KWLQDELDRL DATA SEQUENCE NKRTGDAFQI SEESKEKLKD VFEYWNGKTT SELATSYMTE ETREAVNCDV DATA SEQUENCE FTVGNYYYNG VGHVSVDYGK VLRVGFNGII NEAKEQLEKN RSIDPDFIKK DATA SEQUENCE EKFLNSVIIS CEAAITYVNR YAKKAKEIAD NTSDAKRKAE LNEIAKICSK DATA SEQUENCE VSGEGAKSFY EACQLFWFIH AIINIESNGH SISPARFDQY MYPYYENDKN DATA SEQUENCE ITDKFAQELI DCIWIKLNDI NKVRDEISTK HFGGYPMYQN LIVGGQNSEG DATA SEQUENCE KDATNKVSYM ALEAAVHVKL PQPSLSVRIW NKTPDEFLLR AAELTREGLG DATA SEQUENCE LPAYYNDEVI IPALVSRGLT LEDARDYGII GCVEPQKPGK TEGWHDSAFF DATA SEQUENCE NLARIVELTI NSGFDKNKQI GPKTQNFEEM KSFDEFMKAY KAQMEYFVKH DATA SEQUENCE MCCADNCIDI AHAERAPLPF LSSMVDNCIG KGKSLQDGGA EYNFSGPQGV DATA SEQUENCE GVANIGDSLV AVKKIVFDEN KITPSELKKT LNNDFKNSEE IQALLKNAPK DATA SEQUENCE FGNDIDEVDN LAREGALVYC REVNKYTNPR GGNFQPGLYP SSINVYFGSL DATA SEQUENCE TGATPDGRKS GQPLADGVSP SRGCDVSGPT AACNSVSKLD HFIASNGTLF DATA SEQUENCE NQKFHPSALK GDNGLMNLSS LIRSYFDQKG FHVQFNVIDK KILLAAQKNP DATA SEQUENCE EKYQDLIVRV AGYSAQFISL DKSIQNDIIA RTEHVM 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.067 176.117 -0.083 0.000 1.063 2 I CA 0.000 61.261 61.300 -0.065 0.000 1.566 2 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 3 S N 1.938 117.583 115.700 -0.092 0.000 2.465 3 S HA 0.334 4.804 4.470 -0.001 0.000 0.279 3 S C 0.677 175.190 174.600 -0.145 0.000 1.201 3 S CA -0.673 57.452 58.200 -0.125 0.000 1.053 3 S CB 0.771 63.903 63.200 -0.113 0.000 0.953 3 S HN 0.517 nan 8.310 nan 0.000 0.488 4 K N 2.232 122.514 120.400 -0.197 0.000 2.404 4 K HA 0.239 4.558 4.320 -0.001 0.000 0.194 4 K C 1.218 177.672 176.600 -0.242 0.000 1.023 4 K CA 0.153 56.325 56.287 -0.192 0.000 1.094 4 K CB 0.034 32.421 32.500 -0.187 0.000 0.841 4 K HN 0.893 nan 8.250 nan 0.000 0.523 5 G N 1.506 110.098 108.800 -0.347 0.000 2.806 5 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.236 5 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.236 5 G C -0.611 173.962 174.900 -0.544 0.000 1.387 5 G CA -0.642 44.237 45.100 -0.369 0.000 0.884 5 G HN 0.158 nan 8.290 nan 0.000 0.560 6 F N 0.747 120.697 119.950 0.001 0.000 2.492 6 F HA 0.661 5.187 4.527 -0.001 0.000 0.327 6 F C 1.184 177.018 175.800 0.057 0.000 1.079 6 F CA -0.044 57.965 58.000 0.014 0.000 0.967 6 F CB 2.137 41.145 39.000 0.013 0.000 1.169 6 F HN 0.817 nan 8.300 nan 0.000 0.472 7 S N -0.169 115.706 115.700 0.291 0.000 2.617 7 S HA 0.457 4.927 4.470 -0.001 0.000 0.259 7 S C -0.253 174.509 174.600 0.270 0.000 1.301 7 S CA -0.781 57.568 58.200 0.248 0.000 0.984 7 S CB 0.725 64.066 63.200 0.233 0.000 0.954 7 S HN 0.558 nan 8.310 nan 0.000 0.572 8 T N 2.469 117.056 114.554 0.055 0.000 2.829 8 T HA 0.383 4.733 4.350 -0.001 0.000 0.282 8 T C 0.086 174.529 174.700 -0.427 0.000 0.990 8 T CA -0.773 61.246 62.100 -0.134 0.000 1.028 8 T CB 1.117 69.944 68.868 -0.069 0.000 0.951 8 T HN 0.700 nan 8.240 nan 0.000 0.460 9 Q N 1.868 121.250 119.800 -0.696 0.000 2.368 9 Q HA 0.245 4.584 4.340 -0.001 0.000 0.237 9 Q C 0.198 176.038 176.000 -0.266 0.000 0.987 9 Q CA -0.651 54.742 55.803 -0.683 0.000 0.896 9 Q CB 0.066 28.467 28.738 -0.561 0.000 1.241 9 Q HN 0.734 nan 8.270 nan 0.000 0.485 10 T N -1.427 113.030 114.554 -0.162 0.000 2.802 10 T HA -0.004 4.345 4.350 -0.001 0.000 0.305 10 T C 0.986 175.649 174.700 -0.062 0.000 1.053 10 T CA 0.094 62.150 62.100 -0.074 0.000 1.058 10 T CB 0.630 69.486 68.868 -0.020 0.000 0.988 10 T HN 0.726 nan 8.240 nan 0.000 0.539 11 E N 0.428 120.607 120.200 -0.036 0.000 2.153 11 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 11 E C 2.263 178.853 176.600 -0.017 0.000 0.988 11 E CA 1.263 57.647 56.400 -0.026 0.000 0.811 11 E CB -0.331 29.360 29.700 -0.015 0.000 0.746 11 E HN 0.710 nan 8.360 nan 0.000 0.466 12 R N 0.201 120.697 120.500 -0.008 0.000 2.096 12 R HA -0.151 4.188 4.340 -0.001 0.000 0.240 12 R C 1.980 178.275 176.300 -0.009 0.000 1.139 12 R CA 1.763 57.864 56.100 0.002 0.000 0.952 12 R CB -0.346 29.965 30.300 0.018 0.000 0.854 12 R HN 0.246 nan 8.270 nan 0.000 0.436 13 I N 1.941 122.497 120.570 -0.022 0.000 2.208 13 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 13 I C 1.816 177.920 176.117 -0.021 0.000 1.097 13 I CA 1.349 62.633 61.300 -0.026 0.000 1.363 13 I CB -1.569 36.403 38.000 -0.047 0.000 1.051 13 I HN 0.262 nan 8.210 nan 0.000 0.413 14 N N 1.034 119.718 118.700 -0.027 0.000 2.166 14 N HA -0.101 4.638 4.740 -0.001 0.000 0.186 14 N C 2.016 177.520 175.510 -0.011 0.000 1.019 14 N CA 1.163 54.201 53.050 -0.020 0.000 0.856 14 N CB -0.137 38.336 38.487 -0.025 0.000 0.993 14 N HN 0.391 nan 8.380 nan 0.000 0.426 15 I N 1.018 121.583 120.570 -0.008 0.000 2.252 15 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 15 I C 2.068 178.185 176.117 -0.001 0.000 1.102 15 I CA 0.754 62.052 61.300 -0.002 0.000 1.385 15 I CB -0.177 37.825 38.000 0.002 0.000 1.064 15 I HN 0.032 nan 8.210 nan 0.000 0.414 16 L N 0.646 121.866 121.223 -0.004 0.000 2.056 16 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 16 L C 2.629 179.495 176.870 -0.007 0.000 1.078 16 L CA 1.326 56.161 54.840 -0.007 0.000 0.749 16 L CB -0.647 41.401 42.059 -0.017 0.000 0.901 16 L HN 0.238 nan 8.230 nan 0.000 0.433 17 K N 0.845 121.243 120.400 -0.004 0.000 2.097 17 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 17 K C 2.081 178.683 176.600 0.003 0.000 1.049 17 K CA 1.315 57.603 56.287 0.003 0.000 0.933 17 K CB -0.042 32.462 32.500 0.007 0.000 0.717 17 K HN 0.258 nan 8.250 nan 0.000 0.442 18 A N 1.117 123.937 122.820 0.001 0.000 2.015 18 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 18 A C 1.899 179.484 177.584 0.001 0.000 1.163 18 A CA 1.149 53.187 52.037 0.001 0.000 0.646 18 A CB -0.335 18.665 19.000 -0.001 0.000 0.806 18 A HN 0.495 nan 8.150 nan 0.000 0.448 19 Q N -0.421 119.379 119.800 0.001 0.000 2.167 19 Q HA -0.109 4.230 4.340 -0.001 0.000 0.202 19 Q C 1.853 177.852 176.000 -0.002 0.000 0.970 19 Q CA 1.104 56.908 55.803 0.002 0.000 0.855 19 Q CB -0.266 28.476 28.738 0.006 0.000 0.911 19 Q HN 0.602 nan 8.270 nan 0.000 0.438 20 I N 0.791 121.359 120.570 -0.004 0.000 2.133 20 I HA -0.229 3.941 4.170 -0.001 0.000 0.238 20 I C 2.306 178.414 176.117 -0.015 0.000 1.074 20 I CA 1.386 62.680 61.300 -0.010 0.000 1.342 20 I CB -1.023 36.974 38.000 -0.005 0.000 1.053 20 I HN 0.252 nan 8.210 nan 0.000 0.404 21 L N 0.614 121.836 121.223 -0.003 0.000 2.141 21 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 21 L C 1.991 178.860 176.870 -0.002 0.000 1.094 21 L CA 1.011 55.854 54.840 0.003 0.000 0.763 21 L CB -0.602 41.467 42.059 0.015 0.000 0.908 21 L HN 0.322 nan 8.230 nan 0.000 0.437 22 N N 0.250 118.948 118.700 -0.004 0.000 2.463 22 N HA 0.060 4.800 4.740 -0.001 0.000 0.181 22 N C 0.801 176.305 175.510 -0.010 0.000 1.078 22 N CA 0.463 53.511 53.050 -0.003 0.000 0.902 22 N CB -0.004 38.483 38.487 -0.000 0.000 0.970 22 N HN 0.194 nan 8.380 nan 0.000 0.451 23 A N 1.075 123.883 122.820 -0.020 0.000 2.429 23 A HA 0.191 4.510 4.320 -0.001 0.000 0.242 23 A C 0.227 177.781 177.584 -0.049 0.000 1.088 23 A CA 0.194 52.213 52.037 -0.029 0.000 0.784 23 A CB 0.330 19.308 19.000 -0.037 0.000 1.038 23 A HN 0.114 nan 8.150 nan 0.000 0.501 24 K N 1.444 121.815 120.400 -0.049 0.000 2.527 24 K HA 0.334 4.653 4.320 -0.001 0.000 0.240 24 K C -2.857 173.687 176.600 -0.093 0.000 0.989 24 K CA -1.593 54.657 56.287 -0.062 0.000 0.985 24 K CB 1.285 33.773 32.500 -0.020 0.000 1.221 24 K HN 0.367 nan 8.250 nan 0.000 0.458 25 P HA -0.167 nan 4.420 nan 0.000 0.261 25 P C -0.372 176.893 177.300 -0.059 0.000 1.165 25 P CA 0.055 62.965 63.100 -0.316 0.000 0.759 25 P CB 0.231 31.371 31.700 -0.933 0.000 0.772 26 C N 1.034 120.453 119.300 0.198 0.000 3.323 26 C HA 0.684 5.143 4.460 -0.001 0.000 0.324 26 C C -0.666 174.539 174.990 0.358 0.000 1.428 26 C CA -0.874 58.329 59.018 0.309 0.000 1.368 26 C CB 0.996 28.826 27.740 0.150 0.000 1.731 26 C HN 0.290 nan 8.230 nan 0.000 0.455 27 V N 2.363 122.418 119.914 0.235 0.000 2.347 27 V HA 0.458 4.578 4.120 -0.001 0.000 0.280 27 V C 0.032 176.172 176.094 0.077 0.000 1.021 27 V CA 0.136 62.508 62.300 0.121 0.000 0.847 27 V CB 0.965 32.822 31.823 0.058 0.000 0.990 27 V HN 0.907 nan 8.190 nan 0.000 0.444 28 E N 2.350 122.586 120.200 0.059 0.000 2.222 28 E HA 0.386 4.735 4.350 -0.001 0.000 0.272 28 E C 0.289 176.879 176.600 -0.016 0.000 0.982 28 E CA -0.236 56.180 56.400 0.028 0.000 0.842 28 E CB 1.727 31.450 29.700 0.038 0.000 1.144 28 E HN 0.733 nan 8.360 nan 0.000 0.397 29 S N 0.549 116.227 115.700 -0.036 0.000 2.539 29 S HA 0.036 4.505 4.470 -0.001 0.000 0.221 29 S C 1.026 175.575 174.600 -0.086 0.000 0.987 29 S CA -0.186 57.968 58.200 -0.076 0.000 0.929 29 S CB 0.144 63.294 63.200 -0.083 0.000 0.832 29 S HN 0.326 nan 8.310 nan 0.000 0.492 30 E N 2.887 123.048 120.200 -0.066 0.000 2.033 30 E HA -0.125 4.224 4.350 -0.001 0.000 0.199 30 E C 2.027 178.566 176.600 -0.101 0.000 1.011 30 E CA 1.490 57.848 56.400 -0.071 0.000 0.815 30 E CB -0.361 29.308 29.700 -0.051 0.000 0.755 30 E HN 0.578 nan 8.360 nan 0.000 0.451 31 R N 0.229 120.647 120.500 -0.137 0.000 2.096 31 R HA -0.204 4.136 4.340 -0.001 0.000 0.240 31 R C 2.172 178.351 176.300 -0.201 0.000 1.139 31 R CA 1.650 57.629 56.100 -0.201 0.000 0.952 31 R CB -0.356 29.743 30.300 -0.334 0.000 0.854 31 R HN 0.235 nan 8.270 nan 0.000 0.436 32 A N 0.756 123.451 122.820 -0.208 0.000 1.883 32 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 32 A C 2.053 179.591 177.584 -0.077 0.000 1.186 32 A CA 1.540 53.467 52.037 -0.185 0.000 0.624 32 A CB -0.467 18.408 19.000 -0.208 0.000 0.822 32 A HN 0.317 nan 8.150 nan 0.000 0.444 33 I N -0.142 120.382 120.570 -0.076 0.000 2.226 33 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 33 I C 2.402 178.522 176.117 0.005 0.000 1.100 33 I CA 1.105 62.382 61.300 -0.039 0.000 1.374 33 I CB -0.370 37.600 38.000 -0.050 0.000 1.057 33 I HN 0.282 nan 8.210 nan 0.000 0.413 34 L N -0.522 120.701 121.223 -0.000 0.000 2.056 34 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 34 L C 2.492 179.473 176.870 0.184 0.000 1.078 34 L CA 1.307 56.193 54.840 0.077 0.000 0.749 34 L CB -0.465 41.565 42.059 -0.049 0.000 0.901 34 L HN 0.238 nan 8.230 nan 0.000 0.433 35 I N -0.637 119.995 120.570 0.104 0.000 2.439 35 I HA -0.253 3.916 4.170 -0.001 0.000 0.251 35 I C 2.315 178.599 176.117 0.277 0.000 1.139 35 I CA 1.143 62.558 61.300 0.192 0.000 1.438 35 I CB 0.093 38.127 38.000 0.056 0.000 1.085 35 I HN 0.240 nan 8.210 nan 0.000 0.427 36 T N 0.298 114.977 114.554 0.209 0.000 2.737 36 T HA -0.249 4.100 4.350 -0.001 0.000 0.265 36 T C 1.693 176.261 174.700 -0.219 0.000 1.038 36 T CA 1.811 63.928 62.100 0.027 0.000 1.144 36 T CB -0.217 68.691 68.868 0.067 0.000 0.866 36 T HN 0.491 nan 8.240 nan 0.000 0.434 37 E N 0.619 120.766 120.200 -0.087 0.000 2.085 37 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 37 E C 2.377 178.859 176.600 -0.197 0.000 0.994 37 E CA 1.408 57.731 56.400 -0.129 0.000 0.801 37 E CB -0.207 29.497 29.700 0.007 0.000 0.743 37 E HN 0.371 nan 8.360 nan 0.000 0.453 38 S N -0.881 114.747 115.700 -0.120 0.000 2.355 38 S HA -0.125 4.345 4.470 -0.001 0.000 0.222 38 S C 1.672 176.219 174.600 -0.089 0.000 1.031 38 S CA 0.978 59.073 58.200 -0.176 0.000 0.993 38 S CB -0.438 62.757 63.200 -0.008 0.000 0.859 38 S HN 0.374 nan 8.310 nan 0.000 0.453 39 F N 1.944 121.771 119.950 -0.204 0.000 2.202 39 F HA 0.047 4.574 4.527 -0.001 0.000 0.301 39 F C 2.286 177.915 175.800 -0.285 0.000 1.082 39 F CA 1.194 59.069 58.000 -0.208 0.000 1.313 39 F CB -0.263 38.594 39.000 -0.238 0.000 1.024 39 F HN 0.216 nan 8.300 nan 0.000 0.495 40 K N -0.586 119.627 120.400 -0.312 0.000 2.283 40 K HA -0.141 4.178 4.320 -0.001 0.000 0.202 40 K C 1.617 178.112 176.600 -0.175 0.000 1.048 40 K CA 0.791 56.897 56.287 -0.302 0.000 0.948 40 K CB -0.074 32.190 32.500 -0.393 0.000 0.742 40 K HN 0.241 nan 8.250 nan 0.000 0.458 41 Q N -0.509 119.179 119.800 -0.186 0.000 2.356 41 Q HA 0.010 4.350 4.340 -0.001 0.000 0.205 41 Q C 1.082 176.989 176.000 -0.155 0.000 0.901 41 Q CA 0.860 56.566 55.803 -0.163 0.000 0.938 41 Q CB 1.091 29.715 28.738 -0.189 0.000 1.081 41 Q HN 0.349 nan 8.270 nan 0.000 0.517 42 T N -3.379 111.063 114.554 -0.185 0.000 3.200 42 T HA 0.197 4.546 4.350 -0.001 0.000 0.284 42 T C 0.981 175.576 174.700 -0.175 0.000 1.009 42 T CA -0.342 61.638 62.100 -0.200 0.000 0.907 42 T CB 0.416 69.108 68.868 -0.294 0.000 1.120 42 T HN -0.102 nan 8.240 nan 0.000 0.534 43 E N 2.215 122.346 120.200 -0.116 0.000 2.147 43 E HA -0.117 4.232 4.350 -0.001 0.000 0.199 43 E C 2.087 178.650 176.600 -0.062 0.000 1.005 43 E CA 1.691 58.051 56.400 -0.067 0.000 0.810 43 E CB -0.666 29.017 29.700 -0.028 0.000 0.736 43 E HN 0.722 nan 8.360 nan 0.000 0.460 44 G N 0.401 109.162 108.800 -0.065 0.000 2.920 44 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.208 44 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.208 44 G C 0.696 175.564 174.900 -0.053 0.000 1.159 44 G CA -0.179 44.892 45.100 -0.050 0.000 0.784 44 G HN 0.072 nan 8.290 nan 0.000 0.535 45 Q N 0.324 120.077 119.800 -0.078 0.000 2.214 45 Q HA 0.477 4.817 4.340 -0.001 0.000 0.251 45 Q C -2.380 173.583 176.000 -0.063 0.000 0.936 45 Q CA -1.986 53.772 55.803 -0.075 0.000 0.894 45 Q CB 1.862 30.535 28.738 -0.108 0.000 1.252 45 Q HN -0.028 nan 8.270 nan 0.000 0.448 46 P HA 0.045 nan 4.420 nan 0.000 0.269 46 P C -0.519 176.774 177.300 -0.011 0.000 1.215 46 P CA 0.165 63.261 63.100 -0.007 0.000 0.780 46 P CB 0.726 32.434 31.700 0.014 0.000 0.898 47 A N 2.352 125.187 122.820 0.025 0.000 1.903 47 A HA -0.249 4.070 4.320 -0.001 0.000 0.219 47 A C 2.002 179.624 177.584 0.064 0.000 1.191 47 A CA 1.932 54.001 52.037 0.053 0.000 0.638 47 A CB -1.612 17.454 19.000 0.110 0.000 0.823 47 A HN 0.596 nan 8.150 nan 0.000 0.451 48 I N -0.921 119.702 120.570 0.087 0.000 2.264 48 I HA -0.181 3.988 4.170 -0.001 0.000 0.248 48 I C 1.982 178.131 176.117 0.052 0.000 1.111 48 I CA 1.134 62.502 61.300 0.114 0.000 1.382 48 I CB -0.138 37.967 38.000 0.176 0.000 1.060 48 I HN 0.211 nan 8.210 nan 0.000 0.418 49 L N 0.269 121.496 121.223 0.007 0.000 2.109 49 L HA -0.070 4.269 4.340 -0.001 0.000 0.207 49 L C 2.608 179.427 176.870 -0.085 0.000 1.086 49 L CA 1.460 56.279 54.840 -0.035 0.000 0.760 49 L CB -1.349 40.683 42.059 -0.045 0.000 0.910 49 L HN 0.290 nan 8.230 nan 0.000 0.437 50 R N -0.566 119.845 120.500 -0.149 0.000 2.091 50 R HA -0.144 4.195 4.340 -0.001 0.000 0.238 50 R C 2.175 178.361 176.300 -0.190 0.000 1.136 50 R CA 0.836 56.725 56.100 -0.351 0.000 0.959 50 R CB -0.296 29.628 30.300 -0.628 0.000 0.856 50 R HN 0.315 nan 8.270 nan 0.000 0.437 51 R N 0.542 121.047 120.500 0.009 0.000 2.081 51 R HA -0.035 4.304 4.340 -0.001 0.000 0.235 51 R C 2.214 178.569 176.300 0.092 0.000 1.131 51 R CA 1.492 57.684 56.100 0.152 0.000 0.960 51 R CB -0.898 29.514 30.300 0.186 0.000 0.856 51 R HN 0.250 nan 8.270 nan 0.000 0.436 52 A N 1.248 124.089 122.820 0.035 0.000 1.858 52 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 52 A C 2.424 180.003 177.584 -0.008 0.000 1.190 52 A CA 1.168 53.208 52.037 0.006 0.000 0.617 52 A CB -0.685 18.301 19.000 -0.023 0.000 0.827 52 A HN 0.203 nan 8.150 nan 0.000 0.443 53 L N -0.708 120.498 121.223 -0.029 0.000 2.131 53 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 53 L C 3.049 179.931 176.870 0.020 0.000 1.092 53 L CA 0.983 55.804 54.840 -0.032 0.000 0.759 53 L CB -0.577 41.432 42.059 -0.083 0.000 0.903 53 L HN 0.459 nan 8.230 nan 0.000 0.435 54 A N 0.118 122.974 122.820 0.060 0.000 1.873 54 A HA -0.205 4.114 4.320 -0.001 0.000 0.215 54 A C 2.206 179.856 177.584 0.111 0.000 1.186 54 A CA 1.561 53.700 52.037 0.171 0.000 0.616 54 A CB -0.679 18.546 19.000 0.375 0.000 0.823 54 A HN 0.309 nan 8.150 nan 0.000 0.442 55 L N 0.172 121.426 121.223 0.053 0.000 2.083 55 L HA -0.138 4.202 4.340 -0.001 0.000 0.209 55 L C 2.273 179.097 176.870 -0.076 0.000 1.083 55 L CA 2.673 57.490 54.840 -0.039 0.000 0.752 55 L CB -0.586 41.431 42.059 -0.070 0.000 0.899 55 L HN 0.496 nan 8.230 nan 0.000 0.433 56 K N -1.668 118.709 120.400 -0.038 0.000 2.026 56 K HA -0.293 4.026 4.320 -0.001 0.000 0.208 56 K C 2.318 178.923 176.600 0.008 0.000 1.048 56 K CA 1.749 58.013 56.287 -0.039 0.000 0.929 56 K CB -0.342 32.146 32.500 -0.019 0.000 0.713 56 K HN 0.495 nan 8.250 nan 0.000 0.439 57 H N 0.592 119.632 119.070 -0.050 0.000 2.353 57 H HA -0.032 4.524 4.556 -0.001 0.000 0.300 57 H C 1.811 177.112 175.328 -0.044 0.000 1.090 57 H CA 2.071 58.096 56.048 -0.039 0.000 1.327 57 H CB -0.060 29.688 29.762 -0.023 0.000 1.383 57 H HN 0.213 nan 8.280 nan 0.000 0.508 58 I N -0.307 120.224 120.570 -0.064 0.000 2.163 58 I HA -0.257 3.912 4.170 -0.001 0.000 0.240 58 I C 2.188 178.218 176.117 -0.144 0.000 1.081 58 I CA 1.052 62.271 61.300 -0.135 0.000 1.353 58 I CB -0.284 37.647 38.000 -0.115 0.000 1.054 58 I HN 0.233 nan 8.210 nan 0.000 0.407 59 L N 0.364 121.497 121.223 -0.149 0.000 2.187 59 L HA -0.208 4.131 4.340 -0.001 0.000 0.213 59 L C 2.293 179.180 176.870 0.028 0.000 1.100 59 L CA 1.398 56.166 54.840 -0.119 0.000 0.765 59 L CB -0.526 41.405 42.059 -0.213 0.000 0.904 59 L HN 0.338 nan 8.230 nan 0.000 0.437 60 E N -0.465 119.702 120.200 -0.054 0.000 2.230 60 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 60 E C 1.161 177.708 176.600 -0.089 0.000 0.987 60 E CA 0.512 56.880 56.400 -0.054 0.000 0.841 60 E CB 0.191 29.853 29.700 -0.063 0.000 0.783 60 E HN 0.539 nan 8.360 nan 0.000 0.481 61 N N 0.275 118.883 118.700 -0.154 0.000 2.181 61 N HA 0.076 4.815 4.740 -0.001 0.000 0.207 61 N C 0.169 175.614 175.510 -0.107 0.000 1.182 61 N CA -0.149 52.805 53.050 -0.160 0.000 0.893 61 N CB 1.113 39.431 38.487 -0.281 0.000 1.032 61 N HN 0.064 nan 8.380 nan 0.000 0.513 62 I N 3.145 123.674 120.570 -0.068 0.000 2.692 62 I HA 0.100 4.269 4.170 -0.001 0.000 0.284 62 I C -2.160 173.964 176.117 0.012 0.000 1.159 62 I CA -1.712 59.574 61.300 -0.024 0.000 1.423 62 I CB 0.456 38.460 38.000 0.008 0.000 1.380 62 I HN -0.106 nan 8.210 nan 0.000 0.580 63 P HA 0.130 nan 4.420 nan 0.000 0.266 63 P C -0.936 176.379 177.300 0.025 0.000 1.195 63 P CA 0.114 63.215 63.100 0.001 0.000 0.768 63 P CB 0.312 32.016 31.700 0.008 0.000 0.838 64 I N 2.348 122.884 120.570 -0.057 0.000 2.607 64 I HA 0.448 4.618 4.170 -0.001 0.000 0.305 64 I C 0.370 176.446 176.117 -0.069 0.000 0.995 64 I CA -0.099 61.110 61.300 -0.152 0.000 1.148 64 I CB 1.617 39.313 38.000 -0.506 0.000 1.323 64 I HN 0.268 nan 8.210 nan 0.000 0.461 65 T N 6.009 120.590 114.554 0.045 0.000 2.993 65 T HA 0.604 4.953 4.350 -0.001 0.000 0.312 65 T C -0.432 174.396 174.700 0.214 0.000 1.115 65 T CA -0.363 61.802 62.100 0.108 0.000 1.027 65 T CB 1.890 70.834 68.868 0.125 0.000 1.116 65 T HN 0.253 nan 8.240 nan 0.000 0.464 66 I N 3.166 123.823 120.570 0.146 0.000 2.439 66 I HA 0.383 4.552 4.170 -0.001 0.000 0.283 66 I C 0.292 176.471 176.117 0.105 0.000 1.023 66 I CA -0.826 60.572 61.300 0.164 0.000 1.100 66 I CB 1.493 39.586 38.000 0.155 0.000 1.238 66 I HN 0.357 nan 8.210 nan 0.000 0.445 67 R N 3.749 124.305 120.500 0.095 0.000 2.531 67 R HA 0.240 4.580 4.340 -0.001 0.000 0.273 67 R C -0.624 175.709 176.300 0.054 0.000 1.070 67 R CA -0.920 55.218 56.100 0.064 0.000 1.112 67 R CB 0.709 31.041 30.300 0.052 0.000 1.049 67 R HN 0.420 nan 8.270 nan 0.000 0.508 68 D N 2.754 123.179 120.400 0.043 0.000 2.506 68 D HA -0.084 4.555 4.640 -0.001 0.000 0.234 68 D C 0.754 177.077 176.300 0.038 0.000 1.143 68 D CA 0.702 54.725 54.000 0.039 0.000 0.871 68 D CB 0.426 41.244 40.800 0.030 0.000 1.190 68 D HN 0.397 nan 8.370 nan 0.000 0.459 69 Q N -0.705 119.121 119.800 0.044 0.000 2.348 69 Q HA -0.250 4.089 4.340 -0.001 0.000 0.221 69 Q C -0.337 175.692 176.000 0.050 0.000 0.735 69 Q CA 1.153 56.983 55.803 0.046 0.000 1.351 69 Q CB -1.644 27.114 28.738 0.033 0.000 1.640 69 Q HN 0.687 nan 8.270 nan 0.000 0.667 70 E N -0.083 120.148 120.200 0.051 0.000 2.373 70 E HA 0.181 4.530 4.350 -0.001 0.000 0.267 70 E C 1.222 177.871 176.600 0.081 0.000 1.032 70 E CA -0.073 56.353 56.400 0.043 0.000 0.889 70 E CB 0.482 30.204 29.700 0.036 0.000 0.984 70 E HN 0.186 nan 8.360 nan 0.000 0.425 71 L N 2.699 123.964 121.223 0.071 0.000 2.500 71 L HA 0.180 4.519 4.340 -0.001 0.000 0.219 71 L C 0.351 177.335 176.870 0.190 0.000 1.057 71 L CA 0.158 55.093 54.840 0.157 0.000 0.854 71 L CB 0.451 42.549 42.059 0.066 0.000 1.078 71 L HN 0.473 nan 8.230 nan 0.000 0.480 72 I N 1.953 122.547 120.570 0.041 0.000 2.339 72 I HA 0.258 4.427 4.170 -0.001 0.000 0.290 72 I C 0.019 176.074 176.117 -0.104 0.000 0.994 72 I CA -0.434 60.854 61.300 -0.020 0.000 1.191 72 I CB 1.519 39.434 38.000 -0.141 0.000 1.343 72 I HN -0.226 nan 8.210 nan 0.000 0.458 73 V N 2.548 122.404 119.914 -0.096 0.000 2.850 73 V HA 1.089 5.208 4.120 -0.001 0.000 0.315 73 V C 0.206 176.150 176.094 -0.250 0.000 1.064 73 V CA -0.679 61.571 62.300 -0.083 0.000 0.979 73 V CB 1.594 33.470 31.823 0.090 0.000 1.039 73 V HN 1.052 nan 8.190 nan 0.000 0.452 74 G N 1.335 110.079 108.800 -0.094 0.000 2.789 74 G HA2 0.296 4.255 3.960 -0.001 0.000 0.353 74 G HA3 0.296 4.255 3.960 -0.001 0.000 0.353 74 G C -0.737 174.437 174.900 0.457 0.000 1.220 74 G CA -0.237 44.846 45.100 -0.028 0.000 1.204 74 G HN 1.123 nan 8.290 nan 0.000 0.574 75 S N 1.603 117.601 115.700 0.497 0.000 2.532 75 S HA 0.543 5.013 4.470 -0.001 0.000 0.299 75 S C 1.382 176.218 174.600 0.394 0.000 1.105 75 S CA -0.886 57.561 58.200 0.412 0.000 1.018 75 S CB 1.725 65.108 63.200 0.304 0.000 1.021 75 S HN 0.545 nan 8.310 nan 0.000 0.483 76 L N 1.707 123.120 121.223 0.316 0.000 2.341 76 L HA 0.110 4.449 4.340 -0.001 0.000 0.214 76 L C 1.030 178.012 176.870 0.187 0.000 1.115 76 L CA 0.536 55.521 54.840 0.241 0.000 0.820 76 L CB -0.396 41.785 42.059 0.203 0.000 0.944 76 L HN 0.689 nan 8.230 nan 0.000 0.452 77 T N -4.871 109.792 114.554 0.181 0.000 2.909 77 T HA 0.326 4.675 4.350 -0.001 0.000 0.299 77 T C 0.406 175.180 174.700 0.123 0.000 1.073 77 T CA -0.919 61.262 62.100 0.135 0.000 0.999 77 T CB 2.510 71.454 68.868 0.128 0.000 1.098 77 T HN -0.114 nan 8.240 nan 0.000 0.477 78 K N 0.320 120.776 120.400 0.093 0.000 2.009 78 K HA -0.068 4.251 4.320 -0.001 0.000 0.210 78 K C 0.860 177.503 176.600 0.072 0.000 1.049 78 K CA 1.387 57.720 56.287 0.077 0.000 0.929 78 K CB -0.089 32.443 32.500 0.053 0.000 0.714 78 K HN 0.679 nan 8.250 nan 0.000 0.440 79 E N 1.388 121.628 120.200 0.066 0.000 2.331 79 E HA 0.100 4.449 4.350 -0.001 0.000 0.272 79 E C -2.573 174.061 176.600 0.058 0.000 1.036 79 E CA -2.540 53.892 56.400 0.053 0.000 0.864 79 E CB 0.905 30.633 29.700 0.047 0.000 1.035 79 E HN -0.149 nan 8.360 nan 0.000 0.408 80 P HA 0.080 nan 4.420 nan 0.000 0.272 80 P C -0.845 176.462 177.300 0.012 0.000 1.240 80 P CA -0.023 63.099 63.100 0.037 0.000 0.791 80 P CB 0.375 32.087 31.700 0.020 0.000 0.978 81 R N -0.609 119.899 120.500 0.013 0.000 3.387 81 R HA -0.166 4.174 4.340 -0.001 0.000 0.254 81 R C -0.624 175.654 176.300 -0.037 0.000 1.006 81 R CA 0.463 56.541 56.100 -0.035 0.000 0.677 81 R CB -1.633 28.593 30.300 -0.122 0.000 1.063 81 R HN 0.483 nan 8.270 nan 0.000 0.453 82 S N -1.450 114.292 115.700 0.069 0.000 2.759 82 S HA 0.655 5.125 4.470 -0.001 0.000 0.310 82 S C -0.689 174.041 174.600 0.216 0.000 1.123 82 S CA -0.454 57.837 58.200 0.151 0.000 0.959 82 S CB 2.132 65.409 63.200 0.129 0.000 1.172 82 S HN 0.293 nan 8.310 nan 0.000 0.539 83 S N 0.472 116.321 115.700 0.248 0.000 2.538 83 S HA 0.459 4.928 4.470 -0.001 0.000 0.288 83 S C -1.203 173.496 174.600 0.164 0.000 1.108 83 S CA -0.713 57.613 58.200 0.210 0.000 0.971 83 S CB 0.935 64.238 63.200 0.172 0.000 1.041 83 S HN 0.530 nan 8.310 nan 0.000 0.483 84 Q N 1.476 121.395 119.800 0.198 0.000 2.222 84 Q HA 0.494 4.834 4.340 -0.001 0.000 0.211 84 Q C -0.449 175.627 176.000 0.127 0.000 1.013 84 Q CA -0.519 55.333 55.803 0.081 0.000 0.993 84 Q CB 1.126 29.834 28.738 -0.050 0.000 1.151 84 Q HN 0.585 nan 8.270 nan 0.000 0.544 85 V N 1.150 121.015 119.914 -0.081 0.000 2.513 85 V HA 0.343 4.462 4.120 -0.001 0.000 0.299 85 V C -0.864 175.088 176.094 -0.237 0.000 1.035 85 V CA -0.460 61.836 62.300 -0.007 0.000 0.889 85 V CB 1.007 32.772 31.823 -0.096 0.000 0.988 85 V HN 0.510 nan 8.190 nan 0.000 0.440 86 F N 5.531 125.457 119.950 -0.039 0.000 2.449 86 F HA 0.387 4.913 4.527 -0.002 0.000 0.344 86 F C -1.329 174.297 175.800 -0.290 0.000 1.180 86 F CA -2.315 55.606 58.000 -0.130 0.000 1.209 86 F CB 1.158 40.241 39.000 0.138 0.000 1.440 86 F HN 0.372 nan 8.300 nan 0.000 0.526 87 P HA -0.204 nan 4.420 nan 0.000 0.225 87 P C 1.114 177.762 177.300 -1.086 0.000 1.148 87 P CA 1.301 63.969 63.100 -0.719 0.000 0.779 87 P CB 0.245 31.348 31.700 -0.995 0.000 0.780 88 E N -0.022 119.351 120.200 -1.379 0.000 2.265 88 E HA -0.154 4.196 4.350 -0.001 0.000 0.196 88 E C 1.488 177.665 176.600 -0.706 0.000 0.996 88 E CA 0.972 56.588 56.400 -1.305 0.000 0.832 88 E CB -1.036 27.925 29.700 -1.231 0.000 0.756 88 E HN 0.342 nan 8.360 nan 0.000 0.491 89 F N 1.515 121.359 119.950 -0.177 0.000 2.343 89 F HA 0.110 4.636 4.527 -0.002 0.000 0.286 89 F C 1.338 177.103 175.800 -0.059 0.000 1.057 89 F CA 0.388 58.339 58.000 -0.083 0.000 1.365 89 F CB 0.392 39.410 39.000 0.030 0.000 1.114 89 F HN 0.004 nan 8.300 nan 0.000 0.545 90 S N -0.325 115.516 115.700 0.234 0.000 2.578 90 S HA 0.389 4.859 4.470 -0.001 0.000 0.272 90 S C -0.898 173.866 174.600 0.272 0.000 1.145 90 S CA -0.372 58.003 58.200 0.291 0.000 0.835 90 S CB 1.545 65.074 63.200 0.549 0.000 1.104 90 S HN 0.355 nan 8.310 nan 0.000 0.458 91 N N -0.056 118.736 118.700 0.155 0.000 1.850 91 N HA 0.130 4.870 4.740 -0.001 0.000 0.230 91 N C 0.633 175.994 175.510 -0.249 0.000 1.419 91 N CA -0.431 52.577 53.050 -0.071 0.000 0.762 91 N CB -0.132 38.426 38.487 0.117 0.000 1.047 91 N HN 0.476 nan 8.380 nan 0.000 0.503 92 K N 0.834 121.183 120.400 -0.084 0.000 2.211 92 K HA -0.027 4.292 4.320 -0.001 0.000 0.203 92 K C 1.119 177.613 176.600 -0.176 0.000 1.050 92 K CA 1.651 57.836 56.287 -0.171 0.000 0.945 92 K CB -0.205 32.301 32.500 0.010 0.000 0.732 92 K HN 0.473 nan 8.250 nan 0.000 0.451 93 W N 1.092 122.386 121.300 -0.011 0.000 2.388 93 W HA -0.134 4.526 4.660 -0.001 0.000 0.294 93 W C 1.399 177.872 176.519 -0.076 0.000 1.212 93 W CA 0.402 57.720 57.345 -0.045 0.000 1.271 93 W CB -0.923 28.494 29.460 -0.072 0.000 1.126 93 W HN 0.000 nan 8.180 nan 0.000 0.535 94 L N 1.310 121.801 121.223 -1.220 0.000 2.056 94 L HA -0.247 4.093 4.340 -0.001 0.000 0.207 94 L C 3.129 179.689 176.870 -0.516 0.000 1.078 94 L CA 2.217 56.392 54.840 -1.108 0.000 0.749 94 L CB -0.612 40.715 42.059 -1.219 0.000 0.901 94 L HN 0.111 nan 8.230 nan 0.000 0.433 95 Q N -0.574 118.721 119.800 -0.841 0.000 2.170 95 Q HA -0.288 4.052 4.340 -0.001 0.000 0.203 95 Q C 1.774 177.521 176.000 -0.421 0.000 0.976 95 Q CA 2.002 57.179 55.803 -1.043 0.000 0.858 95 Q CB -0.089 27.561 28.738 -1.813 0.000 0.907 95 Q HN 0.532 nan 8.270 nan 0.000 0.433 96 D N -0.260 119.968 120.400 -0.287 0.000 2.249 96 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 96 D C 0.826 177.101 176.300 -0.041 0.000 0.962 96 D CA 0.752 54.681 54.000 -0.117 0.000 0.860 96 D CB 0.271 41.042 40.800 -0.049 0.000 0.955 96 D HN 0.407 nan 8.370 nan 0.000 0.505 97 E N -0.020 120.168 120.200 -0.020 0.000 2.476 97 E HA 0.091 4.440 4.350 -0.001 0.000 0.199 97 E C 2.196 178.821 176.600 0.041 0.000 1.021 97 E CA -0.332 56.096 56.400 0.047 0.000 0.907 97 E CB 0.570 30.357 29.700 0.145 0.000 0.974 97 E HN 0.259 nan 8.360 nan 0.000 0.489 98 L N 1.504 122.731 121.223 0.007 0.000 2.082 98 L HA -0.300 4.039 4.340 -0.001 0.000 0.223 98 L C 1.434 178.336 176.870 0.055 0.000 1.086 98 L CA 1.447 56.310 54.840 0.038 0.000 0.793 98 L CB -0.404 41.684 42.059 0.049 0.000 0.896 98 L HN 0.188 nan 8.230 nan 0.000 0.441 99 D N -0.830 119.596 120.400 0.044 0.000 2.340 99 D HA -0.025 4.614 4.640 -0.001 0.000 0.220 99 D C 1.532 177.863 176.300 0.053 0.000 1.039 99 D CA 0.458 54.486 54.000 0.047 0.000 0.866 99 D CB 0.171 40.992 40.800 0.036 0.000 0.913 99 D HN 0.580 nan 8.370 nan 0.000 0.523 100 R N -0.362 120.175 120.500 0.062 0.000 2.549 100 R HA 0.284 4.623 4.340 -0.001 0.000 0.344 100 R C 1.509 177.864 176.300 0.091 0.000 0.979 100 R CA -0.173 55.967 56.100 0.066 0.000 1.140 100 R CB -0.452 29.879 30.300 0.052 0.000 1.377 100 R HN -0.013 nan 8.270 nan 0.000 0.541 101 L N 1.907 123.202 121.223 0.119 0.000 2.131 101 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 101 L C 1.688 178.663 176.870 0.174 0.000 1.092 101 L CA 2.008 56.954 54.840 0.176 0.000 0.759 101 L CB -0.466 41.722 42.059 0.215 0.000 0.903 101 L HN 0.536 nan 8.230 nan 0.000 0.435 102 N N -0.747 118.031 118.700 0.130 0.000 2.383 102 N HA -0.074 4.665 4.740 -0.001 0.000 0.192 102 N C 1.164 176.718 175.510 0.074 0.000 1.141 102 N CA 0.045 53.158 53.050 0.105 0.000 0.851 102 N CB 0.147 38.687 38.487 0.087 0.000 0.976 102 N HN 0.282 nan 8.380 nan 0.000 0.465 103 K N 0.326 120.767 120.400 0.069 0.000 2.374 103 K HA 0.183 4.503 4.320 -0.001 0.000 0.202 103 K C -0.071 176.552 176.600 0.039 0.000 1.040 103 K CA -0.362 55.953 56.287 0.047 0.000 1.085 103 K CB 0.589 33.114 32.500 0.041 0.000 0.873 103 K HN 0.126 nan 8.250 nan 0.000 0.539 104 R N 0.678 121.209 120.500 0.051 0.000 2.643 104 R HA 0.034 4.374 4.340 -0.001 0.000 0.270 104 R C 0.906 177.208 176.300 0.004 0.000 1.061 104 R CA 0.150 56.269 56.100 0.031 0.000 1.107 104 R CB 0.382 30.714 30.300 0.053 0.000 0.999 104 R HN -0.027 nan 8.270 nan 0.000 0.460 105 T N 0.240 114.784 114.554 -0.017 0.000 2.904 105 T HA -0.003 4.346 4.350 -0.001 0.000 0.267 105 T C 0.883 175.544 174.700 -0.065 0.000 1.059 105 T CA 1.303 63.382 62.100 -0.036 0.000 1.137 105 T CB 0.163 69.006 68.868 -0.042 0.000 0.879 105 T HN 0.791 nan 8.240 nan 0.000 0.467 106 G N -0.259 108.490 108.800 -0.084 0.000 2.660 106 G HA2 0.489 4.448 3.960 -0.001 0.000 0.294 106 G HA3 0.489 4.448 3.960 -0.001 0.000 0.294 106 G C -1.475 173.316 174.900 -0.183 0.000 1.369 106 G CA -0.777 44.232 45.100 -0.151 0.000 0.912 106 G HN 0.064 nan 8.290 nan 0.000 0.479 107 D N -1.194 118.964 120.400 -0.402 0.000 2.689 107 D HA -0.058 4.581 4.640 -0.001 0.000 0.237 107 D C 0.778 177.059 176.300 -0.033 0.000 1.148 107 D CA 1.159 54.813 54.000 -0.578 0.000 0.656 107 D CB -0.891 39.715 40.800 -0.323 0.000 1.050 107 D HN 0.836 nan 8.370 nan 0.000 0.426 108 A N 0.300 123.127 122.820 0.011 0.000 2.388 108 A HA 0.597 4.916 4.320 -0.001 0.000 0.257 108 A C -0.134 177.461 177.584 0.019 0.000 1.095 108 A CA -0.001 52.096 52.037 0.100 0.000 0.791 108 A CB 0.475 19.512 19.000 0.062 0.000 1.029 108 A HN 0.203 nan 8.150 nan 0.000 0.489 109 F N 0.706 120.759 119.950 0.172 0.000 2.532 109 F HA 0.402 4.928 4.527 -0.001 0.000 0.321 109 F C 0.364 176.224 175.800 0.100 0.000 1.089 109 F CA -0.410 57.677 58.000 0.146 0.000 0.926 109 F CB 2.183 41.282 39.000 0.164 0.000 1.168 109 F HN 0.482 nan 8.300 nan 0.000 0.459 110 Q N 3.269 123.210 119.800 0.236 0.000 2.205 110 Q HA 0.633 4.972 4.340 -0.001 0.000 0.249 110 Q C -0.867 175.232 176.000 0.165 0.000 0.948 110 Q CA -0.667 55.229 55.803 0.155 0.000 0.895 110 Q CB 2.960 31.754 28.738 0.093 0.000 1.249 110 Q HN 0.797 nan 8.270 nan 0.000 0.458 111 I N 0.369 121.009 120.570 0.117 0.000 2.651 111 I HA 0.130 4.299 4.170 -0.001 0.000 0.287 111 I C -0.442 175.714 176.117 0.065 0.000 1.244 111 I CA -0.310 61.046 61.300 0.093 0.000 1.061 111 I CB 1.541 39.597 38.000 0.093 0.000 1.286 111 I HN 0.744 nan 8.210 nan 0.000 0.434 112 S N 5.376 121.106 115.700 0.051 0.000 2.573 112 S HA 0.152 4.622 4.470 -0.001 0.000 0.277 112 S C 0.927 175.546 174.600 0.032 0.000 1.346 112 S CA -0.260 57.962 58.200 0.038 0.000 1.034 112 S CB 1.224 64.441 63.200 0.029 0.000 0.879 112 S HN 0.698 nan 8.310 nan 0.000 0.528 113 E N 1.183 121.400 120.200 0.028 0.000 2.153 113 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 113 E C 1.833 178.444 176.600 0.018 0.000 0.988 113 E CA 1.403 57.818 56.400 0.026 0.000 0.811 113 E CB -0.340 29.375 29.700 0.023 0.000 0.746 113 E HN 0.963 nan 8.360 nan 0.000 0.466 114 E N 0.588 120.796 120.200 0.013 0.000 2.072 114 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 114 E C 1.996 178.594 176.600 -0.004 0.000 0.985 114 E CA 1.249 57.652 56.400 0.004 0.000 0.801 114 E CB 0.127 29.829 29.700 0.003 0.000 0.750 114 E HN -0.004 nan 8.360 nan 0.000 0.452 115 S N 0.697 116.396 115.700 -0.001 0.000 2.368 115 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 115 S C 1.754 176.341 174.600 -0.022 0.000 1.030 115 S CA 1.371 59.561 58.200 -0.016 0.000 0.999 115 S CB -0.169 63.030 63.200 -0.003 0.000 0.844 115 S HN 0.259 nan 8.310 nan 0.000 0.459 116 K N 0.850 121.255 120.400 0.008 0.000 2.032 116 K HA -0.178 4.142 4.320 -0.001 0.000 0.209 116 K C 2.264 178.875 176.600 0.018 0.000 1.048 116 K CA 1.526 57.831 56.287 0.031 0.000 0.927 116 K CB -0.221 32.310 32.500 0.051 0.000 0.712 116 K HN 0.172 nan 8.250 nan 0.000 0.441 117 E N 1.596 121.802 120.200 0.010 0.000 2.085 117 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 117 E C 1.533 178.119 176.600 -0.024 0.000 0.994 117 E CA 1.644 58.047 56.400 0.005 0.000 0.801 117 E CB 0.072 29.775 29.700 0.005 0.000 0.743 117 E HN 0.161 nan 8.360 nan 0.000 0.453 118 K N -0.305 120.068 120.400 -0.046 0.000 2.211 118 K HA -0.007 4.313 4.320 -0.001 0.000 0.203 118 K C 2.052 178.568 176.600 -0.141 0.000 1.050 118 K CA 0.846 57.090 56.287 -0.073 0.000 0.945 118 K CB -0.066 32.395 32.500 -0.066 0.000 0.732 118 K HN 0.211 nan 8.250 nan 0.000 0.451 119 L N 0.872 121.970 121.223 -0.208 0.000 2.291 119 L HA -0.120 4.219 4.340 -0.001 0.000 0.214 119 L C 1.985 178.497 176.870 -0.597 0.000 1.120 119 L CA 0.839 55.385 54.840 -0.490 0.000 0.799 119 L CB -0.257 41.437 42.059 -0.609 0.000 0.925 119 L HN 0.122 nan 8.230 nan 0.000 0.446 120 K N 0.346 120.635 120.400 -0.186 0.000 2.001 120 K HA -0.282 4.037 4.320 -0.001 0.000 0.214 120 K C 1.736 178.341 176.600 0.009 0.000 1.050 120 K CA 2.197 58.501 56.287 0.028 0.000 0.934 120 K CB -0.317 32.224 32.500 0.068 0.000 0.718 120 K HN 0.184 nan 8.250 nan 0.000 0.443 121 D N 0.517 120.900 120.400 -0.029 0.000 2.182 121 D HA -0.134 4.505 4.640 -0.001 0.000 0.201 121 D C 1.686 178.005 176.300 0.032 0.000 0.986 121 D CA 0.811 54.816 54.000 0.008 0.000 0.847 121 D CB 0.147 40.939 40.800 -0.014 0.000 0.942 121 D HN -0.051 nan 8.370 nan 0.000 0.467 122 V N -0.142 119.732 119.914 -0.067 0.000 2.295 122 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 122 V C 2.238 178.440 176.094 0.181 0.000 1.049 122 V CA 1.682 64.001 62.300 0.033 0.000 1.024 122 V CB -0.806 30.886 31.823 -0.218 0.000 0.648 122 V HN 0.272 nan 8.190 nan 0.000 0.447 123 F N 0.284 120.315 119.950 0.135 0.000 2.171 123 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 123 F C 2.597 178.458 175.800 0.101 0.000 1.090 123 F CA 1.755 59.812 58.000 0.095 0.000 1.293 123 F CB -0.179 38.834 39.000 0.022 0.000 1.013 123 F HN 0.190 nan 8.300 nan 0.000 0.486 124 E N -0.221 120.133 120.200 0.255 0.000 2.072 124 E HA -0.268 4.081 4.350 -0.001 0.000 0.191 124 E C 2.062 178.719 176.600 0.094 0.000 0.985 124 E CA 1.196 57.685 56.400 0.150 0.000 0.801 124 E CB -0.282 29.485 29.700 0.112 0.000 0.750 124 E HN 0.512 nan 8.360 nan 0.000 0.452 125 Y N -0.599 119.698 120.300 -0.005 0.000 2.184 125 Y HA -0.157 4.393 4.550 -0.001 0.000 0.290 125 Y C 1.218 176.991 175.900 -0.212 0.000 1.129 125 Y CA 1.611 59.614 58.100 -0.161 0.000 1.144 125 Y CB -0.432 37.838 38.460 -0.316 0.000 0.995 125 Y HN 0.086 nan 8.280 nan 0.000 0.513 126 W N 1.279 122.489 121.300 -0.150 0.000 2.961 126 W HA 0.025 4.684 4.660 -0.002 0.000 0.240 126 W C 0.437 176.860 176.519 -0.160 0.000 1.305 126 W CA 0.212 57.431 57.345 -0.211 0.000 1.465 126 W CB -0.841 28.585 29.460 -0.056 0.000 1.135 126 W HN 0.016 nan 8.180 nan 0.000 0.688 127 N N 0.877 119.591 118.700 0.023 0.000 2.414 127 N HA 0.167 4.906 4.740 -0.001 0.000 0.268 127 N C 1.197 176.693 175.510 -0.024 0.000 1.286 127 N CA 1.772 54.838 53.050 0.026 0.000 0.896 127 N CB 0.411 38.904 38.487 0.011 0.000 1.093 127 N HN 0.237 nan 8.380 nan 0.000 0.480 128 G N 3.248 112.059 108.800 0.018 0.000 2.184 128 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.264 128 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.264 128 G C 0.646 175.546 174.900 0.000 0.000 0.975 128 G CA 0.664 45.765 45.100 0.002 0.000 0.642 128 G HN 0.660 nan 8.290 nan 0.000 0.536 129 K N 0.479 120.894 120.400 0.026 0.000 2.358 129 K HA 0.198 4.517 4.320 -0.001 0.000 0.200 129 K C 1.406 178.118 176.600 0.185 0.000 1.030 129 K CA 0.621 56.946 56.287 0.064 0.000 1.097 129 K CB 0.668 33.127 32.500 -0.069 0.000 0.862 129 K HN 0.567 nan 8.250 nan 0.000 0.534 130 T N -1.534 113.102 114.554 0.136 0.000 2.824 130 T HA 0.041 4.390 4.350 -0.001 0.000 0.277 130 T C 1.667 176.372 174.700 0.009 0.000 0.975 130 T CA -0.206 61.931 62.100 0.061 0.000 0.966 130 T CB 1.339 70.215 68.868 0.014 0.000 1.054 130 T HN 0.117 nan 8.240 nan 0.000 0.533 131 T N -1.306 113.227 114.554 -0.034 0.000 2.896 131 T HA -0.093 4.256 4.350 -0.001 0.000 0.263 131 T C 2.312 176.911 174.700 -0.168 0.000 1.050 131 T CA 1.161 63.206 62.100 -0.091 0.000 1.140 131 T CB -1.049 67.681 68.868 -0.230 0.000 0.877 131 T HN 0.780 nan 8.240 nan 0.000 0.457 132 S N 2.376 117.899 115.700 -0.296 0.000 2.370 132 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 132 S C 1.962 176.369 174.600 -0.322 0.000 1.033 132 S CA 1.377 59.153 58.200 -0.708 0.000 1.011 132 S CB -0.676 61.940 63.200 -0.973 0.000 0.852 132 S HN 0.715 nan 8.310 nan 0.000 0.457 133 E N 0.783 120.916 120.200 -0.111 0.000 2.152 133 E HA 0.027 4.376 4.350 -0.001 0.000 0.192 133 E C 2.028 178.636 176.600 0.012 0.000 0.983 133 E CA 0.916 57.318 56.400 0.004 0.000 0.818 133 E CB -0.272 29.440 29.700 0.020 0.000 0.758 133 E HN 0.460 nan 8.360 nan 0.000 0.467 134 L N 0.915 122.137 121.223 -0.002 0.000 2.109 134 L HA 0.020 4.359 4.340 -0.001 0.000 0.207 134 L C 2.177 179.088 176.870 0.069 0.000 1.086 134 L CA 1.658 56.492 54.840 -0.010 0.000 0.760 134 L CB -0.548 41.528 42.059 0.028 0.000 0.910 134 L HN 0.029 nan 8.230 nan 0.000 0.437 135 A N -1.227 121.674 122.820 0.135 0.000 1.883 135 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 135 A C 2.283 180.034 177.584 0.279 0.000 1.186 135 A CA 2.436 54.629 52.037 0.260 0.000 0.624 135 A CB -1.302 17.837 19.000 0.232 0.000 0.822 135 A HN 0.497 nan 8.150 nan 0.000 0.444 136 T N 0.054 114.762 114.554 0.256 0.000 2.746 136 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 136 T C 2.236 177.016 174.700 0.134 0.000 1.039 136 T CA 1.675 63.910 62.100 0.224 0.000 1.142 136 T CB -0.314 68.687 68.868 0.221 0.000 0.866 136 T HN 0.504 nan 8.240 nan 0.000 0.444 137 S N 0.206 115.942 115.700 0.060 0.000 2.382 137 S HA -0.076 4.394 4.470 -0.001 0.000 0.228 137 S C 1.689 176.276 174.600 -0.022 0.000 1.027 137 S CA 1.043 59.223 58.200 -0.034 0.000 0.991 137 S CB -0.448 62.658 63.200 -0.157 0.000 0.823 137 S HN 0.611 nan 8.310 nan 0.000 0.469 138 Y N 0.932 121.280 120.300 0.080 0.000 2.373 138 Y HA 0.136 4.686 4.550 -0.001 0.000 0.293 138 Y C 1.194 177.141 175.900 0.078 0.000 1.129 138 Y CA 0.002 58.146 58.100 0.074 0.000 1.226 138 Y CB -0.138 38.370 38.460 0.079 0.000 1.000 138 Y HN 0.189 nan 8.280 nan 0.000 0.549 139 M N 0.476 120.224 119.600 0.246 0.000 2.240 139 M HA 0.053 4.533 4.480 -0.001 0.000 0.333 139 M C 0.806 177.189 176.300 0.138 0.000 1.110 139 M CA 0.050 55.459 55.300 0.183 0.000 1.173 139 M CB 0.632 33.334 32.600 0.170 0.000 1.458 139 M HN 0.112 nan 8.290 nan 0.000 0.458 140 T N -1.979 112.650 114.554 0.126 0.000 2.788 140 T HA 0.138 4.488 4.350 -0.001 0.000 0.280 140 T C 0.799 175.545 174.700 0.077 0.000 0.984 140 T CA -0.681 61.478 62.100 0.099 0.000 0.972 140 T CB 1.015 69.947 68.868 0.106 0.000 1.039 140 T HN 0.703 nan 8.240 nan 0.000 0.530 141 E N 0.021 120.256 120.200 0.057 0.000 2.107 141 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 141 E C 2.064 178.674 176.600 0.017 0.000 0.982 141 E CA 1.554 57.976 56.400 0.037 0.000 0.809 141 E CB -0.367 29.352 29.700 0.032 0.000 0.756 141 E HN 0.883 nan 8.360 nan 0.000 0.459 142 E N -0.897 119.313 120.200 0.017 0.000 2.077 142 E HA -0.175 4.174 4.350 -0.001 0.000 0.193 142 E C 1.623 178.108 176.600 -0.192 0.000 0.989 142 E CA 1.764 58.136 56.400 -0.047 0.000 0.800 142 E CB -0.104 29.608 29.700 0.021 0.000 0.746 142 E HN 0.229 nan 8.360 nan 0.000 0.452 143 T N 0.382 114.900 114.554 -0.059 0.000 2.777 143 T HA -0.089 4.261 4.350 -0.001 0.000 0.266 143 T C 1.772 176.485 174.700 0.021 0.000 1.040 143 T CA 1.259 63.365 62.100 0.011 0.000 1.141 143 T CB -0.181 68.821 68.868 0.224 0.000 0.868 143 T HN 0.196 nan 8.240 nan 0.000 0.444 144 R N 0.958 121.476 120.500 0.030 0.000 2.127 144 R HA -0.087 4.253 4.340 -0.001 0.000 0.238 144 R C 2.474 178.763 176.300 -0.019 0.000 1.134 144 R CA 1.365 57.477 56.100 0.019 0.000 0.975 144 R CB -0.164 30.152 30.300 0.027 0.000 0.865 144 R HN 0.542 nan 8.270 nan 0.000 0.447 145 E N 0.174 120.354 120.200 -0.033 0.000 2.072 145 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 145 E C 2.051 178.631 176.600 -0.034 0.000 0.982 145 E CA 0.871 57.251 56.400 -0.035 0.000 0.803 145 E CB -0.025 29.660 29.700 -0.023 0.000 0.755 145 E HN 0.354 nan 8.360 nan 0.000 0.453 146 A N 0.971 123.763 122.820 -0.046 0.000 1.972 146 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 146 A C 2.391 179.907 177.584 -0.115 0.000 1.169 146 A CA 0.955 53.034 52.037 0.070 0.000 0.635 146 A CB -0.448 18.541 19.000 -0.019 0.000 0.810 146 A HN 0.110 nan 8.150 nan 0.000 0.446 147 V N 0.850 120.679 119.914 -0.141 0.000 2.759 147 V HA -0.119 4.001 4.120 -0.001 0.000 0.256 147 V C 0.860 176.724 176.094 -0.383 0.000 1.080 147 V CA 1.578 63.656 62.300 -0.370 0.000 1.101 147 V CB -0.661 31.129 31.823 -0.055 0.000 0.698 147 V HN 0.580 nan 8.190 nan 0.000 0.477 148 N N -1.534 117.030 118.700 -0.227 0.000 2.389 148 N HA 0.131 4.870 4.740 -0.001 0.000 0.260 148 N C 0.582 175.992 175.510 -0.167 0.000 1.191 148 N CA 0.070 53.017 53.050 -0.170 0.000 0.885 148 N CB 0.662 39.093 38.487 -0.092 0.000 1.162 148 N HN 0.358 nan 8.380 nan 0.000 0.512 149 C N 0.090 119.254 119.300 -0.227 0.000 2.791 149 C HA 0.113 4.572 4.460 -0.001 0.000 0.270 149 C C 0.481 175.291 174.990 -0.300 0.000 1.257 149 C CA -0.291 58.605 59.018 -0.202 0.000 1.699 149 C CB -0.732 26.938 27.740 -0.116 0.000 1.904 149 C HN 0.397 nan 8.230 nan 0.000 0.603 150 D N -0.482 119.716 120.400 -0.337 0.000 2.907 150 D HA -0.120 4.520 4.640 -0.001 0.000 0.226 150 D C 0.729 176.702 176.300 -0.544 0.000 1.141 150 D CA 0.811 54.589 54.000 -0.369 0.000 0.779 150 D CB -1.275 39.340 40.800 -0.309 0.000 1.095 150 D HN 0.339 nan 8.370 nan 0.000 0.430 151 V N -1.170 118.361 119.914 -0.638 0.000 3.048 151 V HA 0.245 4.364 4.120 -0.001 0.000 0.241 151 V C 0.584 176.257 176.094 -0.702 0.000 1.129 151 V CA 1.364 63.195 62.300 -0.782 0.000 1.128 151 V CB 0.088 31.351 31.823 -0.934 0.000 0.849 151 V HN 0.300 nan 8.190 nan 0.000 0.475 152 F N -1.970 117.743 119.950 -0.395 0.000 2.745 152 F HA 0.771 5.297 4.527 -0.001 0.000 0.316 152 F C -0.885 174.970 175.800 0.091 0.000 1.155 152 F CA -0.797 57.134 58.000 -0.115 0.000 0.937 152 F CB 1.661 40.684 39.000 0.039 0.000 1.361 152 F HN -0.262 nan 8.300 nan 0.000 0.472 153 T N 0.621 115.477 114.554 0.503 0.000 2.952 153 T HA 0.547 4.897 4.350 -0.001 0.000 0.305 153 T C -0.682 174.252 174.700 0.389 0.000 1.064 153 T CA -0.095 62.215 62.100 0.350 0.000 1.008 153 T CB 1.446 70.498 68.868 0.306 0.000 1.078 153 T HN 1.500 nan 8.240 nan 0.000 0.459 154 V N 2.693 122.790 119.914 0.305 0.000 3.006 154 V HA 0.530 4.649 4.120 -0.001 0.000 0.357 154 V C 1.756 177.940 176.094 0.151 0.000 1.377 154 V CA 0.561 62.984 62.300 0.205 0.000 1.198 154 V CB -0.112 31.860 31.823 0.248 0.000 1.216 154 V HN 0.875 nan 8.190 nan 0.000 0.520 155 G N 1.411 110.347 108.800 0.226 0.000 2.422 155 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.218 155 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.218 155 G C 1.302 176.415 174.900 0.355 0.000 1.146 155 G CA 1.133 46.444 45.100 0.350 0.000 0.769 155 G HN 0.539 nan 8.290 nan 0.000 0.547 156 N N 0.591 119.421 118.700 0.216 0.000 2.027 156 N HA -0.204 4.536 4.740 -0.001 0.000 0.200 156 N C 1.777 177.277 175.510 -0.017 0.000 1.042 156 N CA 1.669 54.750 53.050 0.051 0.000 0.871 156 N CB -0.612 37.725 38.487 -0.249 0.000 1.063 156 N HN 0.567 nan 8.380 nan 0.000 0.438 157 Y N -1.953 118.244 120.300 -0.172 0.000 2.490 157 Y HA -0.020 4.530 4.550 -0.001 0.000 0.281 157 Y C 1.476 177.384 175.900 0.014 0.000 1.174 157 Y CA -0.364 57.570 58.100 -0.276 0.000 1.295 157 Y CB 0.019 38.072 38.460 -0.677 0.000 1.062 157 Y HN 0.176 nan 8.280 nan 0.000 0.522 158 Y N -0.644 119.683 120.300 0.045 0.000 2.201 158 Y HA -0.200 4.349 4.550 -0.001 0.000 0.292 158 Y C 1.450 177.269 175.900 -0.135 0.000 1.119 158 Y CA 1.381 59.434 58.100 -0.078 0.000 1.127 158 Y CB -0.506 37.796 38.460 -0.263 0.000 1.019 158 Y HN 0.045 nan 8.280 nan 0.000 0.514 159 Y N 0.047 120.473 120.300 0.211 0.000 2.490 159 Y HA 0.086 4.636 4.550 -0.001 0.000 0.285 159 Y C 0.683 176.658 175.900 0.126 0.000 1.117 159 Y CA 0.332 58.514 58.100 0.137 0.000 1.262 159 Y CB 0.118 38.608 38.460 0.050 0.000 1.043 159 Y HN 0.045 nan 8.280 nan 0.000 0.553 160 N N -1.449 117.321 118.700 0.117 0.000 3.278 160 N HA 0.279 5.018 4.740 -0.001 0.000 0.307 160 N C -0.112 174.988 175.510 -0.682 0.000 1.551 160 N CA -0.277 52.694 53.050 -0.131 0.000 0.794 160 N CB 0.612 39.057 38.487 -0.070 0.000 1.770 160 N HN 0.090 nan 8.380 nan 0.000 0.612 161 G N -0.187 107.963 108.800 -1.083 0.000 2.716 161 G HA2 0.285 4.245 3.960 -0.001 0.000 0.251 161 G HA3 0.285 4.245 3.960 -0.001 0.000 0.251 161 G C 0.998 175.458 174.900 -0.733 0.000 1.224 161 G CA -0.289 44.122 45.100 -1.149 0.000 0.891 161 G HN 0.201 nan 8.290 nan 0.000 0.561 162 V N 1.470 120.879 119.914 -0.842 0.000 2.284 162 V HA 0.332 4.451 4.120 -0.001 0.000 0.236 162 V C 2.437 178.185 176.094 -0.577 0.000 1.044 162 V CA 2.183 63.803 62.300 -1.132 0.000 1.019 162 V CB -1.605 29.503 31.823 -1.192 0.000 0.657 162 V HN 1.697 nan 8.190 nan 0.000 0.465 163 G N -0.787 107.805 108.800 -0.348 0.000 2.531 163 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.274 163 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.274 163 G C 0.009 174.917 174.900 0.013 0.000 1.159 163 G CA 0.561 45.579 45.100 -0.135 0.000 0.969 163 G HN 1.145 nan 8.290 nan 0.000 0.554 164 H N -1.611 117.397 119.070 -0.103 0.000 2.499 164 H HA 0.143 4.698 4.556 -0.001 0.000 0.321 164 H C 0.334 175.748 175.328 0.144 0.000 1.026 164 H CA 1.793 57.873 56.048 0.054 0.000 1.077 164 H CB -1.331 28.482 29.762 0.086 0.000 1.612 164 H HN 1.854 nan 8.280 nan 0.000 0.374 165 V N -0.006 120.004 119.914 0.159 0.000 3.225 165 V HA 0.670 4.789 4.120 -0.001 0.000 0.293 165 V C -1.057 175.129 176.094 0.152 0.000 1.405 165 V CA 0.023 62.421 62.300 0.164 0.000 1.038 165 V CB 2.817 34.693 31.823 0.089 0.000 1.123 165 V HN 0.365 nan 8.190 nan 0.000 0.447 166 S N 3.715 119.517 115.700 0.171 0.000 2.653 166 S HA 0.579 5.048 4.470 -0.001 0.000 0.272 166 S C -0.422 174.243 174.600 0.108 0.000 1.221 166 S CA 0.010 58.352 58.200 0.236 0.000 1.149 166 S CB 0.587 63.959 63.200 0.287 0.000 1.029 166 S HN 1.806 nan 8.310 nan 0.000 0.481 167 V N 1.897 121.742 119.914 -0.116 0.000 3.503 167 V HA 0.428 4.547 4.120 -0.001 0.000 0.300 167 V C 0.731 176.673 176.094 -0.253 0.000 1.099 167 V CA -0.231 61.911 62.300 -0.264 0.000 1.117 167 V CB 0.380 31.927 31.823 -0.461 0.000 1.122 167 V HN 0.742 nan 8.190 nan 0.000 0.476 168 D N 0.044 120.323 120.400 -0.202 0.000 2.688 168 D HA 0.154 4.794 4.640 -0.001 0.000 0.228 168 D C 0.833 177.035 176.300 -0.163 0.000 1.116 168 D CA 0.172 54.105 54.000 -0.112 0.000 1.023 168 D CB -0.740 40.023 40.800 -0.061 0.000 1.100 168 D HN 0.655 nan 8.370 nan 0.000 0.487 169 Y N 0.431 120.610 120.300 -0.201 0.000 2.151 169 Y HA -0.186 4.363 4.550 -0.001 0.000 0.284 169 Y C 2.603 178.313 175.900 -0.317 0.000 1.166 169 Y CA 1.454 59.381 58.100 -0.288 0.000 1.163 169 Y CB -0.448 37.716 38.460 -0.492 0.000 0.974 169 Y HN 0.352 nan 8.280 nan 0.000 0.511 170 G N -0.192 108.480 108.800 -0.215 0.000 2.469 170 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.219 170 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.219 170 G C 1.660 176.592 174.900 0.054 0.000 1.150 170 G CA 1.267 46.359 45.100 -0.013 0.000 0.763 170 G HN 0.370 nan 8.290 nan 0.000 0.561 171 K N -0.036 120.370 120.400 0.010 0.000 2.025 171 K HA -0.015 4.304 4.320 -0.001 0.000 0.207 171 K C 2.560 179.154 176.600 -0.010 0.000 1.049 171 K CA 1.260 57.554 56.287 0.012 0.000 0.933 171 K CB -0.206 32.290 32.500 -0.007 0.000 0.714 171 K HN 0.196 nan 8.250 nan 0.000 0.438 172 V N 1.826 121.705 119.914 -0.058 0.000 2.427 172 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 172 V C 2.294 178.322 176.094 -0.110 0.000 1.051 172 V CA 1.362 63.589 62.300 -0.121 0.000 1.048 172 V CB -0.358 31.346 31.823 -0.198 0.000 0.666 172 V HN 0.321 nan 8.190 nan 0.000 0.456 173 L N -0.266 120.933 121.223 -0.040 0.000 2.131 173 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 173 L C 2.728 179.643 176.870 0.076 0.000 1.092 173 L CA 1.796 56.614 54.840 -0.037 0.000 0.759 173 L CB -0.480 41.542 42.059 -0.063 0.000 0.903 173 L HN 0.297 nan 8.230 nan 0.000 0.435 174 R N 0.101 120.685 120.500 0.140 0.000 2.062 174 R HA -0.092 4.247 4.340 -0.001 0.000 0.226 174 R C 1.983 178.335 176.300 0.086 0.000 1.125 174 R CA 1.636 57.837 56.100 0.169 0.000 0.966 174 R CB 0.114 30.498 30.300 0.140 0.000 0.861 174 R HN 0.346 nan 8.270 nan 0.000 0.433 175 V N -2.199 117.738 119.914 0.037 0.000 3.660 175 V HA 0.411 4.530 4.120 -0.001 0.000 0.276 175 V C 0.734 176.826 176.094 -0.002 0.000 1.317 175 V CA 0.278 62.592 62.300 0.023 0.000 1.097 175 V CB -0.264 31.572 31.823 0.022 0.000 0.863 175 V HN 0.519 nan 8.190 nan 0.000 0.438 176 G N 0.426 109.189 108.800 -0.063 0.000 2.888 176 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.441 176 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.441 176 G C -0.081 174.758 174.900 -0.102 0.000 1.461 176 G CA 0.235 45.252 45.100 -0.138 0.000 0.897 176 G HN 0.375 nan 8.290 nan 0.000 0.547 177 F N 0.271 120.258 119.950 0.061 0.000 2.333 177 F HA -0.093 4.433 4.527 -0.002 0.000 0.300 177 F C 2.633 178.459 175.800 0.042 0.000 1.083 177 F CA 1.163 59.201 58.000 0.062 0.000 1.395 177 F CB -0.055 38.994 39.000 0.081 0.000 1.056 177 F HN 0.384 nan 8.300 nan 0.000 0.529 178 N N 0.484 119.298 118.700 0.190 0.000 2.106 178 N HA -0.102 4.637 4.740 -0.001 0.000 0.188 178 N C 2.276 177.837 175.510 0.085 0.000 1.029 178 N CA 1.315 54.435 53.050 0.118 0.000 0.848 178 N CB -1.080 37.458 38.487 0.084 0.000 1.007 178 N HN 0.309 nan 8.380 nan 0.000 0.423 179 G N 1.975 110.815 108.800 0.067 0.000 2.442 179 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.219 179 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.219 179 G C 1.462 176.390 174.900 0.048 0.000 1.141 179 G CA 0.415 45.542 45.100 0.047 0.000 0.763 179 G HN 0.169 nan 8.290 nan 0.000 0.554 180 I N 0.985 121.595 120.570 0.067 0.000 2.252 180 I HA -0.056 4.113 4.170 -0.001 0.000 0.245 180 I C 2.821 178.970 176.117 0.053 0.000 1.102 180 I CA 0.679 62.015 61.300 0.061 0.000 1.385 180 I CB -1.002 37.055 38.000 0.095 0.000 1.064 180 I HN 0.190 nan 8.210 nan 0.000 0.414 181 I N 1.074 121.686 120.570 0.071 0.000 2.163 181 I HA -0.328 3.841 4.170 -0.001 0.000 0.243 181 I C 2.195 178.330 176.117 0.030 0.000 1.085 181 I CA 1.324 62.651 61.300 0.046 0.000 1.347 181 I CB -0.484 37.548 38.000 0.055 0.000 1.044 181 I HN 0.290 nan 8.210 nan 0.000 0.408 182 N N 0.523 119.244 118.700 0.035 0.000 2.244 182 N HA -0.212 4.527 4.740 -0.001 0.000 0.183 182 N C 1.747 177.271 175.510 0.023 0.000 1.016 182 N CA 1.118 54.183 53.050 0.026 0.000 0.866 182 N CB -0.248 38.256 38.487 0.028 0.000 0.980 182 N HN 0.470 nan 8.380 nan 0.000 0.430 183 E N 0.731 120.947 120.200 0.026 0.000 2.106 183 E HA -0.049 4.301 4.350 -0.001 0.000 0.192 183 E C 1.807 178.422 176.600 0.025 0.000 0.984 183 E CA 0.864 57.279 56.400 0.025 0.000 0.806 183 E CB 0.045 29.761 29.700 0.027 0.000 0.750 183 E HN 0.312 nan 8.360 nan 0.000 0.458 184 A N 1.186 124.018 122.820 0.020 0.000 1.930 184 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 184 A C 1.969 179.562 177.584 0.014 0.000 1.175 184 A CA 1.449 53.493 52.037 0.013 0.000 0.627 184 A CB -0.263 18.726 19.000 -0.018 0.000 0.815 184 A HN 0.116 nan 8.150 nan 0.000 0.443 185 K N -0.361 120.045 120.400 0.010 0.000 2.155 185 K HA -0.100 4.219 4.320 -0.001 0.000 0.203 185 K C 1.885 178.490 176.600 0.008 0.000 1.052 185 K CA 1.349 57.640 56.287 0.007 0.000 0.948 185 K CB -0.118 32.386 32.500 0.005 0.000 0.728 185 K HN 0.606 nan 8.250 nan 0.000 0.448 186 E N 0.767 120.974 120.200 0.012 0.000 2.077 186 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 186 E C 2.130 178.736 176.600 0.011 0.000 0.989 186 E CA 1.028 57.434 56.400 0.009 0.000 0.800 186 E CB 0.068 29.776 29.700 0.013 0.000 0.746 186 E HN 0.139 nan 8.360 nan 0.000 0.452 187 Q N 0.708 120.522 119.800 0.025 0.000 2.124 187 Q HA -0.146 4.193 4.340 -0.001 0.000 0.202 187 Q C 1.968 177.986 176.000 0.031 0.000 0.977 187 Q CA 0.945 56.771 55.803 0.039 0.000 0.850 187 Q CB -0.211 28.568 28.738 0.069 0.000 0.901 187 Q HN 0.165 nan 8.270 nan 0.000 0.429 188 L N 0.651 121.890 121.223 0.026 0.000 2.079 188 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 188 L C 2.017 178.872 176.870 -0.025 0.000 1.081 188 L CA 1.835 56.684 54.840 0.015 0.000 0.752 188 L CB -0.580 41.487 42.059 0.013 0.000 0.896 188 L HN 0.239 nan 8.230 nan 0.000 0.433 189 E N -0.330 119.855 120.200 -0.026 0.000 2.072 189 E HA -0.170 4.179 4.350 -0.001 0.000 0.190 189 E C 2.156 178.713 176.600 -0.072 0.000 0.982 189 E CA 0.898 57.272 56.400 -0.044 0.000 0.803 189 E CB -0.062 29.621 29.700 -0.027 0.000 0.755 189 E HN 0.510 nan 8.360 nan 0.000 0.453 190 K N 0.663 121.028 120.400 -0.059 0.000 2.211 190 K HA -0.038 4.282 4.320 -0.001 0.000 0.203 190 K C 1.412 177.909 176.600 -0.171 0.000 1.050 190 K CA 0.712 56.953 56.287 -0.076 0.000 0.945 190 K CB 0.017 32.500 32.500 -0.027 0.000 0.732 190 K HN -0.029 nan 8.250 nan 0.000 0.451 191 N N 1.036 119.614 118.700 -0.204 0.000 2.398 191 N HA -0.016 4.723 4.740 -0.001 0.000 0.188 191 N C -0.244 174.870 175.510 -0.660 0.000 1.122 191 N CA 0.255 53.000 53.050 -0.509 0.000 0.866 191 N CB 0.155 38.563 38.487 -0.132 0.000 0.970 191 N HN 0.068 nan 8.380 nan 0.000 0.462 192 R N 0.991 121.286 120.500 -0.342 0.000 2.488 192 R HA 0.063 4.402 4.340 -0.001 0.000 0.317 192 R C 0.032 176.135 176.300 -0.329 0.000 0.941 192 R CA 0.495 56.443 56.100 -0.254 0.000 1.076 192 R CB 0.023 30.237 30.300 -0.144 0.000 0.917 192 R HN 0.003 nan 8.270 nan 0.000 0.407 193 S N 2.136 117.663 115.700 -0.289 0.000 2.578 193 S HA 0.222 4.691 4.470 -0.001 0.000 0.272 193 S C 0.462 175.050 174.600 -0.021 0.000 1.145 193 S CA -0.950 57.133 58.200 -0.196 0.000 0.835 193 S CB 0.997 63.973 63.200 -0.373 0.000 1.104 193 S HN 0.609 nan 8.310 nan 0.000 0.458 194 I N -0.511 120.076 120.570 0.027 0.000 3.793 194 I HA 0.382 4.552 4.170 -0.001 0.000 0.315 194 I C 0.420 176.600 176.117 0.104 0.000 1.275 194 I CA -0.104 61.228 61.300 0.054 0.000 1.214 194 I CB -0.197 37.822 38.000 0.031 0.000 1.018 194 I HN 0.417 nan 8.210 nan 0.000 0.439 195 D N 3.459 123.971 120.400 0.187 0.000 2.417 195 D HA 0.091 4.731 4.640 -0.001 0.000 0.250 195 D C -1.441 174.972 176.300 0.189 0.000 1.166 195 D CA -1.853 52.275 54.000 0.212 0.000 0.881 195 D CB 1.647 42.655 40.800 0.347 0.000 1.164 195 D HN 0.010 nan 8.370 nan 0.000 0.467 196 P HA -0.120 nan 4.420 nan 0.000 0.217 196 P C 0.773 178.075 177.300 0.004 0.000 1.148 196 P CA 0.729 63.855 63.100 0.044 0.000 0.828 196 P CB 0.302 32.010 31.700 0.013 0.000 0.783 197 D N -1.516 118.831 120.400 -0.088 0.000 2.221 197 D HA -0.131 4.508 4.640 -0.001 0.000 0.204 197 D C 1.343 177.459 176.300 -0.305 0.000 0.982 197 D CA 1.041 54.891 54.000 -0.250 0.000 0.857 197 D CB -0.438 40.106 40.800 -0.428 0.000 0.934 197 D HN 0.282 nan 8.370 nan 0.000 0.475 198 F N 0.227 120.179 119.950 0.004 0.000 2.780 198 F HA 0.140 4.667 4.527 0.000 0.000 0.299 198 F C 2.203 178.015 175.800 0.019 0.000 1.146 198 F CA -0.154 57.853 58.000 0.012 0.000 1.428 198 F CB -0.078 38.929 39.000 0.011 0.000 1.115 198 F HN -0.096 nan 8.300 nan 0.000 0.583 199 I N 0.276 120.928 120.570 0.136 0.000 2.142 199 I HA -0.309 3.860 4.170 -0.001 0.000 0.240 199 I C 2.250 178.413 176.117 0.078 0.000 1.078 199 I CA 1.585 62.941 61.300 0.094 0.000 1.343 199 I CB -0.353 37.681 38.000 0.057 0.000 1.046 199 I HN 0.033 nan 8.210 nan 0.000 0.405 200 K N 0.727 121.156 120.400 0.049 0.000 2.148 200 K HA -0.131 4.188 4.320 -0.001 0.000 0.204 200 K C 2.069 178.726 176.600 0.095 0.000 1.050 200 K CA 1.073 57.392 56.287 0.052 0.000 0.942 200 K CB -0.028 32.479 32.500 0.012 0.000 0.724 200 K HN 0.262 nan 8.250 nan 0.000 0.446 201 K N 0.853 121.307 120.400 0.091 0.000 2.148 201 K HA -0.172 4.148 4.320 -0.001 0.000 0.204 201 K C 2.072 178.803 176.600 0.218 0.000 1.050 201 K CA 1.053 57.434 56.287 0.156 0.000 0.942 201 K CB 0.054 32.639 32.500 0.143 0.000 0.724 201 K HN 0.234 nan 8.250 nan 0.000 0.446 202 E N 1.234 121.538 120.200 0.172 0.000 2.072 202 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 202 E C 1.561 178.221 176.600 0.100 0.000 0.985 202 E CA 1.009 57.487 56.400 0.130 0.000 0.801 202 E CB 0.291 30.052 29.700 0.102 0.000 0.750 202 E HN 0.029 nan 8.360 nan 0.000 0.452 203 K N 0.430 120.892 120.400 0.102 0.000 2.097 203 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 203 K C 1.961 178.615 176.600 0.090 0.000 1.049 203 K CA 0.922 57.255 56.287 0.076 0.000 0.933 203 K CB -0.817 31.727 32.500 0.073 0.000 0.717 203 K HN 0.220 nan 8.250 nan 0.000 0.442 204 F N 1.865 121.829 119.950 0.024 0.000 2.102 204 F HA -0.135 4.390 4.527 -0.003 0.000 0.298 204 F C 1.937 177.754 175.800 0.028 0.000 1.105 204 F CA 1.228 59.243 58.000 0.025 0.000 1.239 204 F CB -0.336 38.676 39.000 0.020 0.000 0.991 204 F HN -0.127 nan 8.300 nan 0.000 0.474 205 L N 0.213 121.393 121.223 -0.071 0.000 2.083 205 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 205 L C 2.172 178.945 176.870 -0.162 0.000 1.083 205 L CA 1.174 55.920 54.840 -0.157 0.000 0.752 205 L CB -0.854 41.226 42.059 0.035 0.000 0.899 205 L HN 0.180 nan 8.230 nan 0.000 0.433 206 N N -0.551 118.096 118.700 -0.088 0.000 2.244 206 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 206 N C 2.015 177.464 175.510 -0.103 0.000 1.016 206 N CA 1.217 54.225 53.050 -0.070 0.000 0.866 206 N CB -0.114 38.354 38.487 -0.032 0.000 0.980 206 N HN 0.180 nan 8.380 nan 0.000 0.430 207 S N 0.282 115.894 115.700 -0.148 0.000 2.383 207 S HA -0.017 4.453 4.470 -0.001 0.000 0.227 207 S C 2.229 176.720 174.600 -0.181 0.000 1.026 207 S CA 0.440 58.555 58.200 -0.142 0.000 0.981 207 S CB -0.108 63.018 63.200 -0.123 0.000 0.818 207 S HN 0.066 nan 8.310 nan 0.000 0.472 208 V N 2.193 121.913 119.914 -0.324 0.000 2.343 208 V HA -0.167 3.952 4.120 -0.001 0.000 0.247 208 V C 2.045 178.074 176.094 -0.108 0.000 1.051 208 V CA 1.528 63.670 62.300 -0.263 0.000 1.036 208 V CB -0.611 30.982 31.823 -0.384 0.000 0.654 208 V HN 0.450 nan 8.190 nan 0.000 0.451 209 I N -0.466 120.043 120.570 -0.102 0.000 2.142 209 I HA -0.263 3.906 4.170 -0.001 0.000 0.240 209 I C 2.303 178.396 176.117 -0.041 0.000 1.078 209 I CA 1.857 63.127 61.300 -0.049 0.000 1.343 209 I CB -0.341 37.633 38.000 -0.044 0.000 1.046 209 I HN 0.222 nan 8.210 nan 0.000 0.405 210 I N 0.164 120.702 120.570 -0.053 0.000 2.208 210 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 210 I C 2.624 178.707 176.117 -0.057 0.000 1.097 210 I CA 1.296 62.566 61.300 -0.050 0.000 1.363 210 I CB -0.279 37.692 38.000 -0.049 0.000 1.051 210 I HN 0.179 nan 8.210 nan 0.000 0.413 211 S N -0.104 115.569 115.700 -0.044 0.000 2.356 211 S HA -0.192 4.277 4.470 -0.001 0.000 0.223 211 S C 2.098 176.655 174.600 -0.072 0.000 1.032 211 S CA 1.453 59.630 58.200 -0.040 0.000 1.005 211 S CB -0.427 62.817 63.200 0.074 0.000 0.867 211 S HN 0.498 nan 8.310 nan 0.000 0.449 212 C N 1.781 121.087 119.300 0.010 0.000 2.432 212 C HA 0.010 4.470 4.460 -0.001 0.000 0.280 212 C C 2.518 177.431 174.990 -0.130 0.000 1.353 212 C CA 0.296 59.296 59.018 -0.030 0.000 1.766 212 C CB -1.249 26.549 27.740 0.097 0.000 1.924 212 C HN 0.620 nan 8.230 nan 0.000 0.509 213 E N 1.065 121.217 120.200 -0.081 0.000 2.107 213 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 213 E C 2.361 178.891 176.600 -0.116 0.000 0.982 213 E CA 1.154 57.511 56.400 -0.072 0.000 0.809 213 E CB -0.203 29.471 29.700 -0.043 0.000 0.756 213 E HN 0.665 nan 8.360 nan 0.000 0.459 214 A N 1.543 124.274 122.820 -0.149 0.000 1.969 214 A HA -0.059 4.261 4.320 -0.001 0.000 0.218 214 A C 2.368 179.806 177.584 -0.243 0.000 1.169 214 A CA 1.448 53.385 52.037 -0.166 0.000 0.635 214 A CB -0.468 18.426 19.000 -0.177 0.000 0.810 214 A HN 0.277 nan 8.150 nan 0.000 0.445 215 A N 0.287 122.860 122.820 -0.411 0.000 1.877 215 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 215 A C 2.099 179.445 177.584 -0.396 0.000 1.186 215 A CA 1.528 53.191 52.037 -0.624 0.000 0.620 215 A CB -0.634 17.619 19.000 -1.245 0.000 0.822 215 A HN 0.493 nan 8.150 nan 0.000 0.443 216 I N -0.343 120.059 120.570 -0.280 0.000 2.163 216 I HA -0.258 3.912 4.170 -0.001 0.000 0.243 216 I C 2.587 178.657 176.117 -0.077 0.000 1.085 216 I CA 1.839 63.087 61.300 -0.087 0.000 1.347 216 I CB -0.821 37.173 38.000 -0.010 0.000 1.044 216 I HN 0.266 nan 8.210 nan 0.000 0.408 217 T N -0.067 114.443 114.554 -0.074 0.000 2.720 217 T HA -0.261 4.089 4.350 -0.001 0.000 0.268 217 T C 1.782 176.465 174.700 -0.028 0.000 1.037 217 T CA 1.584 63.657 62.100 -0.045 0.000 1.144 217 T CB -0.483 68.361 68.868 -0.039 0.000 0.864 217 T HN 0.319 nan 8.240 nan 0.000 0.444 218 Y N 1.918 122.119 120.300 -0.165 0.000 2.128 218 Y HA -0.176 4.373 4.550 -0.001 0.000 0.284 218 Y C 2.363 178.202 175.900 -0.101 0.000 1.154 218 Y CA 0.751 58.778 58.100 -0.121 0.000 1.149 218 Y CB -0.727 37.633 38.460 -0.168 0.000 0.976 218 Y HN -0.015 nan 8.280 nan 0.000 0.505 219 V N 0.680 120.415 119.914 -0.298 0.000 2.332 219 V HA -0.374 3.745 4.120 -0.001 0.000 0.248 219 V C 1.935 177.910 176.094 -0.199 0.000 1.055 219 V CA 2.366 64.317 62.300 -0.582 0.000 1.038 219 V CB -0.916 30.573 31.823 -0.557 0.000 0.651 219 V HN 0.468 nan 8.190 nan 0.000 0.450 220 N N -0.348 118.283 118.700 -0.115 0.000 2.223 220 N HA -0.168 4.571 4.740 -0.001 0.000 0.185 220 N C 2.002 177.480 175.510 -0.054 0.000 1.016 220 N CA 0.984 54.004 53.050 -0.050 0.000 0.863 220 N CB -0.157 38.306 38.487 -0.039 0.000 0.983 220 N HN 0.458 nan 8.380 nan 0.000 0.429 221 R N -0.342 120.092 120.500 -0.110 0.000 2.120 221 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 221 R C 1.351 177.528 176.300 -0.205 0.000 1.123 221 R CA 1.108 57.103 56.100 -0.175 0.000 0.975 221 R CB -0.253 29.888 30.300 -0.265 0.000 0.866 221 R HN 0.400 nan 8.270 nan 0.000 0.446 222 Y N 0.198 120.410 120.300 -0.147 0.000 2.314 222 Y HA -0.064 4.486 4.550 -0.001 0.000 0.293 222 Y C 2.468 178.380 175.900 0.020 0.000 1.129 222 Y CA 0.956 59.041 58.100 -0.025 0.000 1.201 222 Y CB -0.208 38.325 38.460 0.120 0.000 0.999 222 Y HN 0.093 nan 8.280 nan 0.000 0.541 223 A N 0.286 123.190 122.820 0.141 0.000 1.902 223 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 223 A C 2.216 179.829 177.584 0.048 0.000 1.181 223 A CA 2.014 54.108 52.037 0.094 0.000 0.623 223 A CB -0.593 18.442 19.000 0.058 0.000 0.818 223 A HN 0.419 nan 8.150 nan 0.000 0.443 224 K N -0.386 120.019 120.400 0.008 0.000 2.025 224 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 224 K C 2.147 178.738 176.600 -0.015 0.000 1.049 224 K CA 1.793 58.073 56.287 -0.012 0.000 0.933 224 K CB -0.171 32.307 32.500 -0.036 0.000 0.714 224 K HN 0.234 nan 8.250 nan 0.000 0.438 225 K N 0.765 121.141 120.400 -0.041 0.000 2.044 225 K HA -0.127 4.192 4.320 -0.001 0.000 0.210 225 K C 1.814 178.420 176.600 0.011 0.000 1.049 225 K CA 1.713 57.973 56.287 -0.044 0.000 0.927 225 K CB -0.560 31.870 32.500 -0.116 0.000 0.713 225 K HN 0.296 nan 8.250 nan 0.000 0.443 226 A N 1.031 123.883 122.820 0.053 0.000 1.883 226 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 226 A C 2.066 179.680 177.584 0.050 0.000 1.186 226 A CA 1.850 53.931 52.037 0.074 0.000 0.624 226 A CB -0.544 18.520 19.000 0.106 0.000 0.822 226 A HN 0.197 nan 8.150 nan 0.000 0.444 227 K N -0.414 120.008 120.400 0.038 0.000 2.026 227 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 227 K C 2.045 178.657 176.600 0.020 0.000 1.048 227 K CA 1.672 57.976 56.287 0.027 0.000 0.929 227 K CB -0.457 32.055 32.500 0.020 0.000 0.713 227 K HN 0.779 nan 8.250 nan 0.000 0.439 228 E N 0.580 120.787 120.200 0.012 0.000 2.070 228 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 228 E C 2.061 178.668 176.600 0.012 0.000 1.004 228 E CA 1.306 57.709 56.400 0.006 0.000 0.805 228 E CB -0.081 29.616 29.700 -0.006 0.000 0.744 228 E HN 0.262 nan 8.360 nan 0.000 0.451 229 I N 0.802 121.383 120.570 0.019 0.000 2.252 229 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 229 I C 2.663 178.797 176.117 0.027 0.000 1.102 229 I CA 0.820 62.135 61.300 0.025 0.000 1.385 229 I CB -0.406 37.615 38.000 0.036 0.000 1.064 229 I HN 0.188 nan 8.210 nan 0.000 0.414 230 A N 0.799 123.638 122.820 0.032 0.000 1.883 230 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 230 A C 1.850 179.448 177.584 0.024 0.000 1.186 230 A CA 2.198 54.254 52.037 0.032 0.000 0.624 230 A CB -0.676 18.345 19.000 0.034 0.000 0.822 230 A HN 0.355 nan 8.150 nan 0.000 0.444 231 D N -0.761 119.650 120.400 0.019 0.000 2.351 231 D HA -0.086 4.553 4.640 -0.001 0.000 0.216 231 D C 0.901 177.208 176.300 0.013 0.000 0.968 231 D CA 1.140 55.149 54.000 0.014 0.000 0.899 231 D CB -0.244 40.562 40.800 0.011 0.000 0.907 231 D HN 0.530 nan 8.370 nan 0.000 0.514 232 N N -0.291 118.418 118.700 0.015 0.000 2.338 232 N HA 0.025 4.764 4.740 -0.001 0.000 0.251 232 N C -1.333 174.186 175.510 0.016 0.000 1.199 232 N CA -0.086 52.972 53.050 0.013 0.000 0.879 232 N CB 0.519 39.013 38.487 0.011 0.000 1.159 232 N HN -0.264 nan 8.380 nan 0.000 0.514 233 T N -0.607 113.958 114.554 0.018 0.000 2.809 233 T HA 0.270 4.619 4.350 -0.001 0.000 0.284 233 T C 0.806 175.516 174.700 0.018 0.000 0.992 233 T CA -0.517 61.595 62.100 0.020 0.000 0.957 233 T CB 1.692 70.576 68.868 0.026 0.000 0.942 233 T HN -0.025 nan 8.240 nan 0.000 0.439 234 S N 1.753 117.462 115.700 0.016 0.000 2.362 234 S HA -0.038 4.431 4.470 -0.001 0.000 0.221 234 S C 1.008 175.617 174.600 0.014 0.000 1.032 234 S CA 0.373 58.581 58.200 0.013 0.000 0.973 234 S CB -0.085 63.122 63.200 0.011 0.000 0.849 234 S HN 0.822 nan 8.310 nan 0.000 0.465 235 D N 1.876 122.285 120.400 0.016 0.000 2.426 235 D HA 0.114 4.753 4.640 -0.001 0.000 0.261 235 D C 1.137 177.448 176.300 0.018 0.000 1.245 235 D CA 0.206 54.215 54.000 0.016 0.000 0.917 235 D CB 0.950 41.760 40.800 0.017 0.000 1.123 235 D HN 0.209 nan 8.370 nan 0.000 0.508 236 A N 5.406 128.234 122.820 0.015 0.000 1.917 236 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 236 A C 2.120 179.715 177.584 0.017 0.000 1.182 236 A CA 1.763 53.809 52.037 0.015 0.000 0.633 236 A CB -0.291 18.715 19.000 0.010 0.000 0.819 236 A HN 0.720 nan 8.150 nan 0.000 0.448 237 K N -0.998 119.412 120.400 0.016 0.000 2.002 237 K HA -0.211 4.108 4.320 -0.001 0.000 0.209 237 K C 2.329 178.948 176.600 0.031 0.000 1.048 237 K CA 1.669 57.967 56.287 0.018 0.000 0.930 237 K CB -0.171 32.337 32.500 0.014 0.000 0.714 237 K HN 0.265 nan 8.250 nan 0.000 0.438 238 R N 1.604 122.124 120.500 0.034 0.000 2.120 238 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 238 R C 1.965 178.294 176.300 0.049 0.000 1.123 238 R CA 1.755 57.882 56.100 0.046 0.000 0.975 238 R CB -0.300 30.025 30.300 0.040 0.000 0.866 238 R HN 0.210 nan 8.270 nan 0.000 0.446 239 K N -0.592 119.831 120.400 0.038 0.000 2.057 239 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 239 K C 1.771 178.396 176.600 0.042 0.000 1.049 239 K CA 1.451 57.761 56.287 0.037 0.000 0.931 239 K CB -0.222 32.294 32.500 0.028 0.000 0.714 239 K HN 0.226 nan 8.250 nan 0.000 0.440 240 A N 1.023 123.867 122.820 0.040 0.000 1.969 240 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 240 A C 1.804 179.426 177.584 0.064 0.000 1.169 240 A CA 1.478 53.540 52.037 0.042 0.000 0.635 240 A CB -0.372 18.646 19.000 0.030 0.000 0.810 240 A HN 0.453 nan 8.150 nan 0.000 0.445 241 E N -0.143 120.104 120.200 0.079 0.000 2.051 241 E HA -0.151 4.198 4.350 -0.001 0.000 0.192 241 E C 1.903 178.577 176.600 0.122 0.000 0.991 241 E CA 1.255 57.730 56.400 0.126 0.000 0.799 241 E CB -0.279 29.500 29.700 0.132 0.000 0.748 241 E HN 0.618 nan 8.360 nan 0.000 0.449 242 L N 1.190 122.469 121.223 0.094 0.000 2.083 242 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 242 L C 2.108 179.020 176.870 0.070 0.000 1.083 242 L CA 0.661 55.553 54.840 0.086 0.000 0.752 242 L CB -0.357 41.744 42.059 0.071 0.000 0.899 242 L HN 0.154 nan 8.230 nan 0.000 0.433 243 N N -0.267 118.467 118.700 0.057 0.000 2.244 243 N HA -0.188 4.551 4.740 -0.001 0.000 0.183 243 N C 1.834 177.366 175.510 0.038 0.000 1.016 243 N CA 0.962 54.038 53.050 0.043 0.000 0.866 243 N CB 0.029 38.538 38.487 0.036 0.000 0.980 243 N HN 0.281 nan 8.380 nan 0.000 0.430 244 E N 1.164 121.391 120.200 0.046 0.000 2.152 244 E HA 0.064 4.414 4.350 -0.001 0.000 0.192 244 E C 1.961 178.537 176.600 -0.040 0.000 0.983 244 E CA 0.521 56.932 56.400 0.018 0.000 0.818 244 E CB -0.171 29.573 29.700 0.073 0.000 0.758 244 E HN 0.312 nan 8.360 nan 0.000 0.467 245 I N 0.255 120.836 120.570 0.017 0.000 2.202 245 I HA -0.247 3.923 4.170 -0.001 0.000 0.242 245 I C 2.335 178.477 176.117 0.042 0.000 1.091 245 I CA 1.045 62.357 61.300 0.020 0.000 1.368 245 I CB -0.440 37.626 38.000 0.109 0.000 1.058 245 I HN 0.173 nan 8.210 nan 0.000 0.410 246 A N 0.820 123.675 122.820 0.058 0.000 1.908 246 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 246 A C 2.394 180.003 177.584 0.042 0.000 1.181 246 A CA 2.104 54.178 52.037 0.062 0.000 0.627 246 A CB -0.580 18.451 19.000 0.051 0.000 0.818 246 A HN 0.385 nan 8.150 nan 0.000 0.445 247 K N -0.322 120.088 120.400 0.018 0.000 2.026 247 K HA -0.093 4.226 4.320 -0.001 0.000 0.208 247 K C 1.866 178.467 176.600 0.001 0.000 1.048 247 K CA 1.657 57.949 56.287 0.009 0.000 0.929 247 K CB -0.318 32.182 32.500 -0.000 0.000 0.713 247 K HN 0.489 nan 8.250 nan 0.000 0.439 248 I N 0.901 121.446 120.570 -0.041 0.000 2.226 248 I HA -0.352 3.817 4.170 -0.001 0.000 0.245 248 I C 2.460 178.605 176.117 0.046 0.000 1.100 248 I CA 0.970 62.237 61.300 -0.054 0.000 1.374 248 I CB -0.254 37.605 38.000 -0.235 0.000 1.057 248 I HN 0.371 nan 8.210 nan 0.000 0.413 249 C N -0.101 119.258 119.300 0.097 0.000 2.446 249 C HA -0.122 4.337 4.460 -0.001 0.000 0.277 249 C C 3.172 178.220 174.990 0.096 0.000 1.275 249 C CA 1.034 60.159 59.018 0.178 0.000 1.727 249 C CB -0.895 26.986 27.740 0.235 0.000 2.010 249 C HN 0.476 nan 8.230 nan 0.000 0.486 250 S N 0.332 116.071 115.700 0.065 0.000 2.383 250 S HA -0.212 4.257 4.470 -0.001 0.000 0.229 250 S C 1.921 176.549 174.600 0.047 0.000 1.030 250 S CA 1.613 59.840 58.200 0.045 0.000 1.002 250 S CB -0.274 62.946 63.200 0.035 0.000 0.829 250 S HN 0.729 nan 8.310 nan 0.000 0.467 251 K N 1.313 121.744 120.400 0.051 0.000 2.044 251 K HA -0.030 4.289 4.320 -0.001 0.000 0.204 251 K C 1.844 178.484 176.600 0.065 0.000 1.049 251 K CA 1.469 57.788 56.287 0.052 0.000 0.945 251 K CB -0.158 32.370 32.500 0.046 0.000 0.724 251 K HN 0.338 nan 8.250 nan 0.000 0.440 252 V N 0.279 120.243 119.914 0.083 0.000 3.510 252 V HA -0.030 4.089 4.120 -0.001 0.000 0.270 252 V C 1.767 177.934 176.094 0.121 0.000 1.201 252 V CA 1.174 63.532 62.300 0.096 0.000 1.166 252 V CB -0.484 31.419 31.823 0.132 0.000 0.825 252 V HN 0.388 nan 8.190 nan 0.000 0.484 253 S N 0.784 116.543 115.700 0.098 0.000 2.400 253 S HA 0.043 4.513 4.470 -0.001 0.000 0.232 253 S C 1.682 176.398 174.600 0.192 0.000 1.025 253 S CA 1.637 59.891 58.200 0.092 0.000 0.993 253 S CB -0.361 62.859 63.200 0.034 0.000 0.808 253 S HN 0.938 nan 8.310 nan 0.000 0.478 254 G N -0.140 108.753 108.800 0.154 0.000 2.453 254 G HA2 0.281 4.240 3.960 -0.001 0.000 0.184 254 G HA3 0.281 4.240 3.960 -0.001 0.000 0.184 254 G C 0.039 175.004 174.900 0.109 0.000 1.342 254 G CA -0.416 44.789 45.100 0.176 0.000 0.771 254 G HN 0.464 nan 8.290 nan 0.000 0.956 255 E N 0.311 120.554 120.200 0.073 0.000 2.312 255 E HA 0.497 4.846 4.350 -0.001 0.000 0.259 255 E C 0.544 177.158 176.600 0.024 0.000 1.122 255 E CA -0.401 56.028 56.400 0.050 0.000 0.922 255 E CB 1.262 30.994 29.700 0.052 0.000 1.109 255 E HN 0.160 nan 8.360 nan 0.000 0.442 256 G N -0.194 108.624 108.800 0.031 0.000 2.572 256 G HA2 0.431 4.390 3.960 -0.001 0.000 0.261 256 G HA3 0.431 4.390 3.960 -0.001 0.000 0.261 256 G C -0.593 174.343 174.900 0.059 0.000 1.197 256 G CA -0.305 44.813 45.100 0.030 0.000 0.870 256 G HN 0.511 nan 8.290 nan 0.000 0.548 257 A N 0.006 122.856 122.820 0.049 0.000 2.322 257 A HA 0.604 4.923 4.320 -0.001 0.000 0.269 257 A C 0.987 178.717 177.584 0.242 0.000 1.094 257 A CA -0.163 51.908 52.037 0.057 0.000 0.807 257 A CB 1.174 20.085 19.000 -0.149 0.000 1.047 257 A HN 0.780 nan 8.150 nan 0.000 0.487 258 K N -0.007 120.528 120.400 0.226 0.000 2.485 258 K HA 0.112 4.431 4.320 -0.001 0.000 0.200 258 K C 0.829 177.611 176.600 0.303 0.000 1.344 258 K CA 0.819 57.265 56.287 0.266 0.000 0.948 258 K CB 0.288 32.879 32.500 0.152 0.000 1.454 258 K HN 0.811 nan 8.250 nan 0.000 0.502 259 S N -0.519 115.324 115.700 0.238 0.000 2.669 259 S HA 0.148 4.617 4.470 -0.001 0.000 0.270 259 S C 0.862 175.657 174.600 0.326 0.000 1.225 259 S CA -0.750 57.610 58.200 0.266 0.000 0.991 259 S CB 0.717 64.056 63.200 0.232 0.000 0.987 259 S HN 0.220 nan 8.310 nan 0.000 0.552 260 F N 0.930 121.007 119.950 0.211 0.000 2.134 260 F HA -0.043 4.483 4.527 -0.001 0.000 0.299 260 F C 2.121 178.041 175.800 0.200 0.000 1.097 260 F CA 1.472 59.588 58.000 0.193 0.000 1.264 260 F CB -0.650 38.452 39.000 0.169 0.000 1.001 260 F HN 0.781 nan 8.300 nan 0.000 0.479 261 Y N 1.639 122.010 120.300 0.119 0.000 2.165 261 Y HA -0.227 4.323 4.550 -0.001 0.000 0.286 261 Y C 2.334 178.215 175.900 -0.031 0.000 1.155 261 Y CA 2.055 60.167 58.100 0.020 0.000 1.164 261 Y CB -0.921 37.643 38.460 0.174 0.000 0.978 261 Y HN 0.268 nan 8.280 nan 0.000 0.513 262 E N -0.615 119.694 120.200 0.181 0.000 2.110 262 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 262 E C 2.367 178.962 176.600 -0.008 0.000 0.988 262 E CA 0.990 57.430 56.400 0.067 0.000 0.804 262 E CB -0.258 29.481 29.700 0.066 0.000 0.745 262 E HN 0.489 nan 8.360 nan 0.000 0.458 263 A N 0.748 123.482 122.820 -0.143 0.000 1.873 263 A HA -0.191 4.128 4.320 -0.001 0.000 0.215 263 A C 2.433 179.922 177.584 -0.159 0.000 1.186 263 A CA 1.204 53.035 52.037 -0.342 0.000 0.616 263 A CB -0.853 17.751 19.000 -0.660 0.000 0.823 263 A HN 0.365 nan 8.150 nan 0.000 0.442 264 C N -1.253 117.916 119.300 -0.219 0.000 2.429 264 C HA -0.097 4.362 4.460 -0.001 0.000 0.277 264 C C 2.867 177.972 174.990 0.192 0.000 1.262 264 C CA 1.487 60.479 59.018 -0.045 0.000 1.733 264 C CB -1.049 26.571 27.740 -0.200 0.000 2.010 264 C HN 0.770 nan 8.230 nan 0.000 0.483 265 Q N 0.485 120.384 119.800 0.165 0.000 2.123 265 Q HA -0.082 4.258 4.340 -0.001 0.000 0.199 265 Q C 1.955 178.070 176.000 0.191 0.000 0.966 265 Q CA 1.319 57.207 55.803 0.142 0.000 0.845 265 Q CB -0.509 28.312 28.738 0.138 0.000 0.907 265 Q HN 0.540 nan 8.270 nan 0.000 0.439 266 L N -0.113 121.249 121.223 0.232 0.000 2.109 266 L HA 0.017 4.357 4.340 -0.001 0.000 0.207 266 L C 1.937 178.969 176.870 0.270 0.000 1.086 266 L CA 1.514 56.515 54.840 0.269 0.000 0.760 266 L CB -0.971 41.146 42.059 0.096 0.000 0.910 266 L HN 0.383 nan 8.230 nan 0.000 0.437 267 F N -0.584 119.459 119.950 0.155 0.000 2.069 267 F HA -0.298 4.228 4.527 -0.002 0.000 0.298 267 F C 2.356 178.357 175.800 0.336 0.000 1.113 267 F CA 2.275 60.418 58.000 0.239 0.000 1.214 267 F CB -0.951 38.187 39.000 0.231 0.000 0.978 267 F HN 0.331 nan 8.300 nan 0.000 0.474 268 W N 0.014 121.273 121.300 -0.069 0.000 2.374 268 W HA -0.275 4.385 4.660 -0.001 0.000 0.288 268 W C 1.835 178.322 176.519 -0.054 0.000 1.218 268 W CA 1.352 58.584 57.345 -0.188 0.000 1.245 268 W CB -0.599 28.779 29.460 -0.136 0.000 1.126 268 W HN 0.105 nan 8.180 nan 0.000 0.545 269 F N 0.700 120.647 119.950 -0.006 0.000 2.186 269 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 269 F C 2.384 178.218 175.800 0.058 0.000 1.090 269 F CA 1.291 59.292 58.000 0.003 0.000 1.307 269 F CB -1.184 37.939 39.000 0.205 0.000 1.019 269 F HN -0.221 nan 8.300 nan 0.000 0.489 270 I N -1.043 119.717 120.570 0.316 0.000 2.142 270 I HA -0.350 3.819 4.170 -0.001 0.000 0.240 270 I C 2.480 178.675 176.117 0.130 0.000 1.078 270 I CA 1.778 63.277 61.300 0.331 0.000 1.343 270 I CB -0.594 37.531 38.000 0.210 0.000 1.046 270 I HN 0.109 nan 8.210 nan 0.000 0.405 271 H N 0.901 119.862 119.070 -0.182 0.000 2.293 271 H HA -0.151 4.404 4.556 -0.001 0.000 0.300 271 H C 2.196 177.269 175.328 -0.425 0.000 1.082 271 H CA 1.958 57.829 56.048 -0.296 0.000 1.308 271 H CB -0.078 29.343 29.762 -0.568 0.000 1.375 271 H HN 0.312 nan 8.280 nan 0.000 0.495 272 A N 0.610 123.025 122.820 -0.676 0.000 1.865 272 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 272 A C 2.545 179.962 177.584 -0.278 0.000 1.191 272 A CA 1.903 53.567 52.037 -0.622 0.000 0.623 272 A CB -0.957 17.618 19.000 -0.708 0.000 0.826 272 A HN 0.516 nan 8.150 nan 0.000 0.444 273 I N -0.211 120.253 120.570 -0.177 0.000 2.361 273 I HA -0.262 3.907 4.170 -0.001 0.000 0.251 273 I C 2.211 178.242 176.117 -0.144 0.000 1.133 273 I CA 1.105 62.243 61.300 -0.270 0.000 1.413 273 I CB -0.352 37.387 38.000 -0.435 0.000 1.073 273 I HN 0.334 nan 8.210 nan 0.000 0.424 274 I N 0.764 121.357 120.570 0.038 0.000 2.226 274 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 274 I C 1.898 178.008 176.117 -0.010 0.000 1.100 274 I CA 1.396 62.751 61.300 0.093 0.000 1.374 274 I CB -0.521 37.458 38.000 -0.034 0.000 1.057 274 I HN 0.326 nan 8.210 nan 0.000 0.413 275 N N 0.661 119.299 118.700 -0.104 0.000 2.571 275 N HA 0.015 4.754 4.740 -0.001 0.000 0.189 275 N C 1.623 177.203 175.510 0.116 0.000 1.154 275 N CA 0.894 53.921 53.050 -0.038 0.000 0.907 275 N CB 0.390 38.824 38.487 -0.089 0.000 0.977 275 N HN 0.463 nan 8.380 nan 0.000 0.449 276 I N 0.043 120.639 120.570 0.044 0.000 3.172 276 I HA -0.069 4.100 4.170 -0.001 0.000 0.278 276 I C 2.351 178.535 176.117 0.112 0.000 1.174 276 I CA 0.319 61.642 61.300 0.040 0.000 1.445 276 I CB 0.087 37.971 38.000 -0.195 0.000 1.175 276 I HN 0.035 nan 8.210 nan 0.000 0.447 277 E N 0.672 120.923 120.200 0.085 0.000 2.072 277 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 277 E C 0.893 177.692 176.600 0.331 0.000 0.985 277 E CA 0.863 57.349 56.400 0.144 0.000 0.801 277 E CB 0.364 30.153 29.700 0.148 0.000 0.750 277 E HN 0.231 nan 8.360 nan 0.000 0.452 278 S N -0.828 115.079 115.700 0.346 0.000 2.579 278 S HA 0.211 4.680 4.470 -0.001 0.000 0.272 278 S C -0.711 173.839 174.600 -0.083 0.000 1.141 278 S CA -0.613 57.791 58.200 0.340 0.000 0.843 278 S CB 1.223 64.561 63.200 0.230 0.000 1.122 278 S HN 0.384 nan 8.310 nan 0.000 0.468 279 N N 1.453 119.773 118.700 -0.632 0.000 2.273 279 N HA 0.190 4.929 4.740 -0.001 0.000 0.231 279 N C 0.468 175.723 175.510 -0.424 0.000 1.134 279 N CA -0.144 52.392 53.050 -0.856 0.000 0.856 279 N CB -0.098 37.383 38.487 -1.677 0.000 1.068 279 N HN 0.576 nan 8.380 nan 0.000 0.510 280 G N 1.139 109.729 108.800 -0.350 0.000 2.365 280 G HA2 0.104 4.064 3.960 -0.001 0.000 0.249 280 G HA3 0.104 4.064 3.960 -0.001 0.000 0.249 280 G C 0.431 175.206 174.900 -0.208 0.000 1.288 280 G CA -0.268 44.637 45.100 -0.325 0.000 0.887 280 G HN 0.612 nan 8.290 nan 0.000 0.524 281 H N 0.077 119.077 119.070 -0.116 0.000 2.584 281 H HA 0.427 4.983 4.556 -0.001 0.000 0.299 281 H C 0.730 175.917 175.328 -0.234 0.000 1.548 281 H CA -0.161 55.816 56.048 -0.119 0.000 1.544 281 H CB 0.335 30.058 29.762 -0.065 0.000 1.732 281 H HN 0.505 nan 8.280 nan 0.000 0.813 282 S N -0.607 115.101 115.700 0.014 0.000 3.586 282 S HA -0.135 4.335 4.470 -0.001 0.000 0.309 282 S C 0.069 174.625 174.600 -0.073 0.000 1.195 282 S CA 0.370 58.467 58.200 -0.172 0.000 0.895 282 S CB -1.374 61.293 63.200 -0.889 0.000 0.983 282 S HN 0.461 nan 8.310 nan 0.000 0.563 283 I N 2.879 123.461 120.570 0.020 0.000 2.389 283 I HA 0.160 4.329 4.170 -0.001 0.000 0.295 283 I C 0.713 176.985 176.117 0.260 0.000 1.117 283 I CA 0.467 61.812 61.300 0.075 0.000 1.317 283 I CB -0.247 37.708 38.000 -0.075 0.000 1.431 283 I HN 0.136 nan 8.210 nan 0.000 0.521 284 S N 9.214 125.062 115.700 0.247 0.000 2.442 284 S HA 0.351 4.820 4.470 -0.001 0.000 0.297 284 S C -1.579 173.248 174.600 0.378 0.000 1.131 284 S CA -1.064 57.293 58.200 0.262 0.000 1.092 284 S CB 1.742 65.031 63.200 0.148 0.000 0.998 284 S HN 0.358 nan 8.310 nan 0.000 0.478 285 P HA -0.062 nan 4.420 nan 0.000 0.218 285 P C 1.012 178.512 177.300 0.332 0.000 1.149 285 P CA 1.632 64.886 63.100 0.258 0.000 0.817 285 P CB 0.017 31.795 31.700 0.130 0.000 0.785 286 A N -0.554 122.397 122.820 0.217 0.000 5.351 286 A HA -0.300 4.019 4.320 -0.001 0.000 0.289 286 A C 0.441 178.101 177.584 0.127 0.000 2.064 286 A CA 1.228 53.367 52.037 0.171 0.000 0.716 286 A CB -1.909 17.236 19.000 0.242 0.000 1.202 286 A HN 0.203 nan 8.150 nan 0.000 0.357 287 R N -0.078 120.504 120.500 0.138 0.000 4.860 287 R HA 0.267 4.607 4.340 -0.001 0.000 0.191 287 R C 0.866 177.021 176.300 -0.241 0.000 1.936 287 R CA 0.575 56.677 56.100 0.004 0.000 1.609 287 R CB -0.766 29.538 30.300 0.006 0.000 1.392 287 R HN 0.593 nan 8.270 nan 0.000 0.844 288 F N 2.944 122.603 119.950 -0.486 0.000 2.154 288 F HA -0.298 4.229 4.527 -0.001 0.000 0.301 288 F C 2.080 177.449 175.800 -0.719 0.000 1.087 288 F CA 2.261 59.702 58.000 -0.930 0.000 1.274 288 F CB 0.106 38.830 39.000 -0.460 0.000 1.009 288 F HN 0.345 nan 8.300 nan 0.000 0.485 289 D N -0.790 119.481 120.400 -0.214 0.000 2.178 289 D HA -0.193 4.447 4.640 -0.001 0.000 0.202 289 D C 1.658 177.847 176.300 -0.184 0.000 0.974 289 D CA 1.030 54.932 54.000 -0.162 0.000 0.841 289 D CB -0.701 40.054 40.800 -0.075 0.000 0.953 289 D HN 0.340 nan 8.370 nan 0.000 0.478 290 Q N 0.027 119.700 119.800 -0.211 0.000 2.096 290 Q HA -0.094 4.246 4.340 -0.001 0.000 0.197 290 Q C 2.207 178.225 176.000 0.030 0.000 0.964 290 Q CA 1.107 56.867 55.803 -0.071 0.000 0.838 290 Q CB -0.654 28.069 28.738 -0.025 0.000 0.906 290 Q HN 0.698 nan 8.270 nan 0.000 0.444 291 Y N -2.848 117.475 120.300 0.039 0.000 2.500 291 Y HA 0.262 4.812 4.550 -0.001 0.000 0.270 291 Y C 1.713 177.678 175.900 0.108 0.000 1.134 291 Y CA 0.108 58.261 58.100 0.088 0.000 1.293 291 Y CB -0.109 38.418 38.460 0.111 0.000 1.063 291 Y HN -0.128 nan 8.280 nan 0.000 0.534 292 M N -0.914 118.589 119.600 -0.162 0.000 2.534 292 M HA 0.022 4.501 4.480 -0.001 0.000 0.263 292 M C 1.673 178.113 176.300 0.233 0.000 1.152 292 M CA 0.490 55.742 55.300 -0.079 0.000 1.145 292 M CB -1.083 31.023 32.600 -0.823 0.000 1.333 292 M HN 0.456 nan 8.290 nan 0.000 0.477 293 Y N 2.540 122.859 120.300 0.032 0.000 2.114 293 Y HA -0.165 4.384 4.550 -0.002 0.000 0.282 293 Y C -0.877 175.134 175.900 0.185 0.000 1.165 293 Y CA 2.119 60.282 58.100 0.106 0.000 1.148 293 Y CB -1.786 36.685 38.460 0.018 0.000 0.972 293 Y HN 0.137 nan 8.280 nan 0.000 0.504 294 P HA -0.219 nan 4.420 nan 0.000 0.216 294 P C 1.093 178.248 177.300 -0.241 0.000 1.153 294 P CA 2.253 65.228 63.100 -0.207 0.000 0.858 294 P CB -0.339 31.257 31.700 -0.173 0.000 0.789 295 Y N -2.808 117.531 120.300 0.065 0.000 2.293 295 Y HA -0.186 4.363 4.550 -0.002 0.000 0.291 295 Y C 2.572 178.589 175.900 0.195 0.000 1.137 295 Y CA 1.154 59.345 58.100 0.151 0.000 1.202 295 Y CB -1.241 37.350 38.460 0.219 0.000 0.990 295 Y HN -0.004 nan 8.280 nan 0.000 0.537 296 Y N 1.139 121.538 120.300 0.166 0.000 2.133 296 Y HA -0.238 4.311 4.550 -0.001 0.000 0.287 296 Y C 2.404 178.132 175.900 -0.287 0.000 1.134 296 Y CA 2.013 59.965 58.100 -0.247 0.000 1.133 296 Y CB -0.535 37.636 38.460 -0.481 0.000 0.987 296 Y HN 0.190 nan 8.280 nan 0.000 0.502 297 E N -0.208 119.659 120.200 -0.556 0.000 2.153 297 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 297 E C 1.423 177.796 176.600 -0.378 0.000 0.988 297 E CA 1.282 57.324 56.400 -0.596 0.000 0.811 297 E CB -0.137 29.187 29.700 -0.627 0.000 0.746 297 E HN 0.530 nan 8.360 nan 0.000 0.466 298 N N 1.022 119.563 118.700 -0.266 0.000 2.463 298 N HA -0.083 4.657 4.740 -0.001 0.000 0.181 298 N C -0.101 175.342 175.510 -0.112 0.000 1.078 298 N CA 0.402 53.355 53.050 -0.161 0.000 0.902 298 N CB 0.089 38.496 38.487 -0.133 0.000 0.970 298 N HN 0.143 nan 8.380 nan 0.000 0.451 299 D N 1.428 121.751 120.400 -0.128 0.000 2.402 299 D HA 0.063 4.703 4.640 -0.001 0.000 0.235 299 D C 0.126 176.350 176.300 -0.127 0.000 1.226 299 D CA 0.002 53.967 54.000 -0.057 0.000 0.918 299 D CB 0.439 41.254 40.800 0.024 0.000 1.043 299 D HN 0.030 nan 8.370 nan 0.000 0.506 300 K N 2.512 122.867 120.400 -0.074 0.000 2.504 300 K HA 0.112 4.431 4.320 -0.001 0.000 0.199 300 K C 0.786 177.363 176.600 -0.039 0.000 1.028 300 K CA -0.105 56.136 56.287 -0.076 0.000 1.164 300 K CB 0.628 33.095 32.500 -0.055 0.000 0.877 300 K HN 0.282 nan 8.250 nan 0.000 0.508 301 N N 0.428 119.122 118.700 -0.010 0.000 2.612 301 N HA 0.060 4.799 4.740 -0.001 0.000 0.224 301 N C 0.608 176.141 175.510 0.039 0.000 1.051 301 N CA -0.121 52.940 53.050 0.019 0.000 0.889 301 N CB 0.593 39.108 38.487 0.047 0.000 1.449 301 N HN 0.097 nan 8.380 nan 0.000 0.442 302 I N 2.939 123.555 120.570 0.076 0.000 2.872 302 I HA -0.079 4.091 4.170 -0.001 0.000 0.291 302 I C 0.431 176.599 176.117 0.084 0.000 1.216 302 I CA 0.340 61.729 61.300 0.148 0.000 1.424 302 I CB 0.670 38.807 38.000 0.227 0.000 1.351 302 I HN 0.181 nan 8.210 nan 0.000 0.592 303 T N 1.865 116.504 114.554 0.142 0.000 2.928 303 T HA 0.239 4.588 4.350 -0.001 0.000 0.284 303 T C 0.723 175.507 174.700 0.140 0.000 1.008 303 T CA -0.783 61.381 62.100 0.107 0.000 1.057 303 T CB 1.470 70.395 68.868 0.095 0.000 1.018 303 T HN 0.580 nan 8.240 nan 0.000 0.493 304 D N 0.506 120.977 120.400 0.119 0.000 2.158 304 D HA -0.118 4.522 4.640 -0.001 0.000 0.197 304 D C 1.832 178.191 176.300 0.098 0.000 0.995 304 D CA 1.282 55.358 54.000 0.125 0.000 0.846 304 D CB -0.077 40.783 40.800 0.101 0.000 0.941 304 D HN 0.757 nan 8.370 nan 0.000 0.456 305 K N -0.514 119.953 120.400 0.112 0.000 2.026 305 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 305 K C 2.056 178.759 176.600 0.172 0.000 1.048 305 K CA 0.841 57.200 56.287 0.121 0.000 0.929 305 K CB -0.231 32.333 32.500 0.107 0.000 0.713 305 K HN 0.045 nan 8.250 nan 0.000 0.439 306 F N 1.190 121.157 119.950 0.028 0.000 2.206 306 F HA 0.050 4.576 4.527 -0.001 0.000 0.298 306 F C 1.999 177.830 175.800 0.051 0.000 1.090 306 F CA 0.927 58.940 58.000 0.022 0.000 1.323 306 F CB -0.559 38.455 39.000 0.023 0.000 1.028 306 F HN 0.092 nan 8.300 nan 0.000 0.492 307 A N -0.242 122.607 122.820 0.048 0.000 1.940 307 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 307 A C 2.113 179.699 177.584 0.003 0.000 1.176 307 A CA 1.897 53.929 52.037 -0.009 0.000 0.631 307 A CB -0.892 18.035 19.000 -0.122 0.000 0.814 307 A HN 0.484 nan 8.150 nan 0.000 0.446 308 Q N -0.039 119.750 119.800 -0.019 0.000 2.083 308 Q HA -0.147 4.192 4.340 -0.001 0.000 0.198 308 Q C 1.940 177.916 176.000 -0.040 0.000 0.969 308 Q CA 2.120 57.903 55.803 -0.034 0.000 0.838 308 Q CB -0.348 28.395 28.738 0.008 0.000 0.900 308 Q HN 0.759 nan 8.270 nan 0.000 0.436 309 E N -0.427 119.748 120.200 -0.042 0.000 2.058 309 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 309 E C 1.901 178.400 176.600 -0.168 0.000 0.997 309 E CA 1.292 57.651 56.400 -0.068 0.000 0.801 309 E CB -0.219 29.476 29.700 -0.010 0.000 0.746 309 E HN 0.452 nan 8.360 nan 0.000 0.450 310 L N 0.620 121.650 121.223 -0.323 0.000 2.042 310 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 310 L C 2.592 179.392 176.870 -0.116 0.000 1.076 310 L CA 1.085 55.722 54.840 -0.339 0.000 0.749 310 L CB -0.392 41.383 42.059 -0.474 0.000 0.893 310 L HN 0.303 nan 8.230 nan 0.000 0.432 311 I N -0.228 120.328 120.570 -0.023 0.000 2.226 311 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 311 I C 2.074 178.149 176.117 -0.070 0.000 1.100 311 I CA 1.178 62.483 61.300 0.008 0.000 1.374 311 I CB -0.425 37.540 38.000 -0.058 0.000 1.057 311 I HN 0.296 nan 8.210 nan 0.000 0.413 312 D N 0.459 120.781 120.400 -0.131 0.000 2.144 312 D HA -0.163 4.476 4.640 -0.001 0.000 0.199 312 D C 2.265 178.571 176.300 0.011 0.000 0.984 312 D CA 1.189 55.133 54.000 -0.093 0.000 0.834 312 D CB -0.447 40.327 40.800 -0.042 0.000 0.955 312 D HN 0.375 nan 8.370 nan 0.000 0.465 313 C N 0.532 119.808 119.300 -0.040 0.000 2.425 313 C HA -0.036 4.423 4.460 -0.001 0.000 0.277 313 C C 2.859 177.785 174.990 -0.107 0.000 1.280 313 C CA -0.052 58.920 59.018 -0.077 0.000 1.744 313 C CB -0.875 26.795 27.740 -0.116 0.000 1.989 313 C HN 0.342 nan 8.230 nan 0.000 0.491 314 I N -0.944 119.609 120.570 -0.029 0.000 2.252 314 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 314 I C 2.707 178.816 176.117 -0.012 0.000 1.102 314 I CA 1.571 62.847 61.300 -0.039 0.000 1.385 314 I CB -0.457 37.634 38.000 0.151 0.000 1.064 314 I HN 0.588 nan 8.210 nan 0.000 0.414 315 W N 1.268 122.441 121.300 -0.212 0.000 2.318 315 W HA -0.247 4.412 4.660 -0.001 0.000 0.313 315 W C 2.516 178.936 176.519 -0.164 0.000 1.221 315 W CA 1.260 58.498 57.345 -0.177 0.000 1.266 315 W CB -0.213 29.164 29.460 -0.138 0.000 1.150 315 W HN 0.121 nan 8.180 nan 0.000 0.496 316 I N 0.243 120.848 120.570 0.059 0.000 2.226 316 I HA -0.326 3.844 4.170 -0.001 0.000 0.245 316 I C 2.370 178.391 176.117 -0.161 0.000 1.100 316 I CA 1.135 62.411 61.300 -0.039 0.000 1.374 316 I CB -0.523 37.454 38.000 -0.038 0.000 1.057 316 I HN -0.186 nan 8.210 nan 0.000 0.413 317 K N 0.859 121.046 120.400 -0.356 0.000 2.097 317 K HA -0.065 4.255 4.320 -0.001 0.000 0.206 317 K C 2.009 178.329 176.600 -0.467 0.000 1.049 317 K CA 1.205 57.091 56.287 -0.668 0.000 0.933 317 K CB -0.572 30.983 32.500 -1.575 0.000 0.717 317 K HN 0.351 nan 8.250 nan 0.000 0.442 318 L N 1.320 122.359 121.223 -0.307 0.000 2.353 318 L HA -0.132 4.207 4.340 -0.001 0.000 0.220 318 L C 1.490 178.382 176.870 0.036 0.000 1.133 318 L CA 0.761 55.608 54.840 0.012 0.000 0.798 318 L CB -0.284 41.682 42.059 -0.155 0.000 0.922 318 L HN 0.191 nan 8.230 nan 0.000 0.445 319 N N -0.897 117.789 118.700 -0.023 0.000 2.280 319 N HA -0.077 4.662 4.740 -0.001 0.000 0.192 319 N C 0.900 176.431 175.510 0.035 0.000 1.109 319 N CA 0.302 53.355 53.050 0.006 0.000 0.855 319 N CB 0.417 38.897 38.487 -0.011 0.000 0.974 319 N HN 0.248 nan 8.380 nan 0.000 0.482 320 D N 0.740 121.179 120.400 0.066 0.000 2.271 320 D HA 0.139 4.778 4.640 -0.001 0.000 0.206 320 D C 0.585 176.980 176.300 0.158 0.000 0.967 320 D CA 0.145 54.204 54.000 0.098 0.000 0.867 320 D CB 0.455 41.321 40.800 0.110 0.000 0.960 320 D HN 0.138 nan 8.370 nan 0.000 0.509 321 I N 1.093 121.795 120.570 0.220 0.000 2.529 321 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 321 I C 0.494 176.702 176.117 0.150 0.000 1.082 321 I CA -0.129 61.298 61.300 0.213 0.000 1.406 321 I CB 0.658 38.807 38.000 0.248 0.000 1.405 321 I HN -0.056 nan 8.210 nan 0.000 0.548 322 N N 5.402 124.199 118.700 0.160 0.000 2.647 322 N HA 0.468 5.207 4.740 -0.001 0.000 0.266 322 N C -1.589 174.041 175.510 0.200 0.000 1.373 322 N CA -0.780 52.379 53.050 0.180 0.000 0.807 322 N CB 2.641 41.239 38.487 0.184 0.000 1.513 322 N HN 0.540 nan 8.380 nan 0.000 0.505 323 K N 1.447 121.981 120.400 0.223 0.000 2.619 323 K HA 0.322 4.641 4.320 -0.001 0.000 0.251 323 K C -1.671 174.958 176.600 0.047 0.000 0.987 323 K CA -0.563 55.794 56.287 0.118 0.000 0.844 323 K CB 1.688 34.212 32.500 0.041 0.000 1.237 323 K HN 0.257 nan 8.250 nan 0.000 0.447 324 V N 4.984 124.794 119.914 -0.172 0.000 2.583 324 V HA 0.487 4.607 4.120 -0.001 0.000 0.287 324 V C -0.581 175.439 176.094 -0.124 0.000 1.051 324 V CA 0.005 62.027 62.300 -0.464 0.000 1.010 324 V CB 0.833 32.199 31.823 -0.762 0.000 0.988 324 V HN 0.823 nan 8.190 nan 0.000 0.478 325 R N 4.111 124.473 120.500 -0.230 0.000 2.888 325 R HA 0.440 4.780 4.340 -0.001 0.000 0.266 325 R C -0.811 174.991 176.300 -0.830 0.000 1.020 325 R CA -0.837 54.934 56.100 -0.548 0.000 0.963 325 R CB 1.368 31.484 30.300 -0.307 0.000 1.197 325 R HN 0.893 nan 8.270 nan 0.000 0.481 326 D N 0.921 120.467 120.400 -1.424 0.000 2.378 326 D HA -0.099 4.541 4.640 -0.001 0.000 0.238 326 D C 0.480 176.526 176.300 -0.424 0.000 1.180 326 D CA -0.018 53.438 54.000 -0.907 0.000 0.895 326 D CB 0.821 41.033 40.800 -0.980 0.000 1.192 326 D HN 0.710 nan 8.370 nan 0.000 0.438 327 E N 0.371 120.452 120.200 -0.200 0.000 2.171 327 E HA -0.220 4.129 4.350 -0.001 0.000 0.197 327 E C 1.825 178.254 176.600 -0.286 0.000 0.997 327 E CA 0.822 57.123 56.400 -0.164 0.000 0.810 327 E CB -0.147 29.510 29.700 -0.072 0.000 0.738 327 E HN 0.434 nan 8.360 nan 0.000 0.467 328 I N 1.630 121.980 120.570 -0.368 0.000 2.235 328 I HA -0.131 4.038 4.170 -0.001 0.000 0.241 328 I C 2.365 178.001 176.117 -0.801 0.000 1.085 328 I CA 0.909 61.901 61.300 -0.514 0.000 1.378 328 I CB -1.176 36.601 38.000 -0.371 0.000 1.076 328 I HN 0.085 nan 8.210 nan 0.000 0.415 329 S N 0.724 115.978 115.700 -0.745 0.000 2.382 329 S HA -0.153 4.316 4.470 -0.001 0.000 0.228 329 S C 1.975 176.297 174.600 -0.463 0.000 1.027 329 S CA 1.696 59.427 58.200 -0.782 0.000 0.991 329 S CB -0.420 62.556 63.200 -0.374 0.000 0.823 329 S HN 0.475 nan 8.310 nan 0.000 0.469 330 T N 2.190 116.543 114.554 -0.334 0.000 2.849 330 T HA -0.095 4.255 4.350 -0.001 0.000 0.270 330 T C 1.597 176.189 174.700 -0.180 0.000 1.066 330 T CA 1.115 63.124 62.100 -0.150 0.000 1.130 330 T CB -0.198 68.597 68.868 -0.122 0.000 0.864 330 T HN 0.464 nan 8.240 nan 0.000 0.481 331 K N 0.104 120.292 120.400 -0.353 0.000 2.217 331 K HA -0.023 4.296 4.320 -0.001 0.000 0.202 331 K C 1.994 178.462 176.600 -0.219 0.000 1.051 331 K CA 0.963 57.073 56.287 -0.295 0.000 0.952 331 K CB -0.132 32.083 32.500 -0.475 0.000 0.736 331 K HN 0.626 nan 8.250 nan 0.000 0.453 332 H N -1.104 117.682 119.070 -0.472 0.000 2.436 332 H HA -0.001 4.554 4.556 -0.001 0.000 0.294 332 H C -0.038 174.730 175.328 -0.933 0.000 1.048 332 H CA 0.301 55.842 56.048 -0.846 0.000 1.353 332 H CB 0.208 29.297 29.762 -1.123 0.000 1.414 332 H HN 0.045 nan 8.280 nan 0.000 0.536 333 F N 0.949 120.930 119.950 0.052 0.000 2.622 333 F HA 0.346 4.872 4.527 -0.001 0.000 0.338 333 F C 0.654 176.464 175.800 0.017 0.000 1.334 333 F CA -0.854 57.200 58.000 0.090 0.000 1.179 333 F CB 0.853 39.906 39.000 0.088 0.000 1.471 333 F HN -0.037 nan 8.300 nan 0.000 0.576 334 G N -0.308 108.580 108.800 0.147 0.000 2.476 334 G HA2 0.445 4.405 3.960 -0.001 0.000 0.269 334 G HA3 0.445 4.405 3.960 -0.001 0.000 0.269 334 G C 0.770 175.714 174.900 0.074 0.000 1.195 334 G CA -0.015 45.114 45.100 0.048 0.000 0.843 334 G HN 1.130 nan 8.290 nan 0.000 0.545 335 G N 0.057 108.793 108.800 -0.107 0.000 2.140 335 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.211 335 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.211 335 G C 0.399 175.283 174.900 -0.028 0.000 1.013 335 G CA 0.240 45.275 45.100 -0.108 0.000 0.705 335 G HN 1.587 nan 8.290 nan 0.000 0.508 336 Y N -2.225 118.095 120.300 0.034 0.000 3.305 336 Y HA -0.214 4.335 4.550 -0.001 0.000 0.212 336 Y C -1.078 174.782 175.900 -0.067 0.000 1.248 336 Y CA 0.262 58.379 58.100 0.028 0.000 1.359 336 Y CB -1.617 36.846 38.460 0.006 0.000 1.407 336 Y HN 0.527 nan 8.280 nan 0.000 0.572 337 P HA 0.089 nan 4.420 nan 0.000 0.280 337 P C 0.327 177.321 177.300 -0.510 0.000 1.244 337 P CA -0.105 62.672 63.100 -0.538 0.000 0.784 337 P CB 1.361 32.321 31.700 -1.233 0.000 0.913 338 M N 1.362 120.714 119.600 -0.413 0.000 2.379 338 M HA 0.098 4.577 4.480 -0.001 0.000 0.265 338 M C 0.072 176.393 176.300 0.034 0.000 1.095 338 M CA -0.239 54.995 55.300 -0.110 0.000 1.075 338 M CB -1.003 31.606 32.600 0.016 0.000 1.443 338 M HN 0.296 nan 8.290 nan 0.000 0.519 339 Y N 0.718 120.958 120.300 -0.099 0.000 3.305 339 Y HA -0.265 4.284 4.550 -0.001 0.000 0.212 339 Y C -0.101 175.793 175.900 -0.011 0.000 1.248 339 Y CA 0.134 58.195 58.100 -0.064 0.000 1.359 339 Y CB -2.886 35.526 38.460 -0.081 0.000 1.407 339 Y HN 0.372 nan 8.280 nan 0.000 0.572 340 Q N 1.040 120.898 119.800 0.096 0.000 2.452 340 Q HA 0.120 4.460 4.340 -0.001 0.000 0.230 340 Q C 0.336 176.357 176.000 0.035 0.000 1.180 340 Q CA -0.354 55.511 55.803 0.102 0.000 0.914 340 Q CB 0.376 29.185 28.738 0.118 0.000 1.408 340 Q HN 0.278 nan 8.270 nan 0.000 0.520 341 N N 3.038 121.775 118.700 0.061 0.000 2.497 341 N HA 0.244 4.983 4.740 -0.001 0.000 0.271 341 N C -1.430 174.079 175.510 -0.002 0.000 1.142 341 N CA -0.006 53.062 53.050 0.030 0.000 0.965 341 N CB 0.768 39.277 38.487 0.037 0.000 1.077 341 N HN 0.498 nan 8.380 nan 0.000 0.462 342 L N 5.038 126.229 121.223 -0.053 0.000 2.376 342 L HA 0.581 4.920 4.340 -0.001 0.000 0.275 342 L C -0.990 175.869 176.870 -0.018 0.000 0.987 342 L CA -0.621 54.174 54.840 -0.075 0.000 0.828 342 L CB 1.443 43.343 42.059 -0.265 0.000 1.249 342 L HN 0.498 nan 8.230 nan 0.000 0.409 343 I N 5.477 126.048 120.570 0.002 0.000 2.603 343 I HA 0.707 4.876 4.170 -0.001 0.000 0.300 343 I C -0.952 175.179 176.117 0.024 0.000 1.017 343 I CA -0.702 60.605 61.300 0.012 0.000 1.098 343 I CB 2.090 40.055 38.000 -0.058 0.000 1.279 343 I HN 0.482 nan 8.210 nan 0.000 0.437 344 V N 3.447 123.402 119.914 0.069 0.000 3.040 344 V HA 1.053 5.172 4.120 -0.001 0.000 0.312 344 V C 0.062 176.208 176.094 0.087 0.000 1.115 344 V CA 0.144 62.481 62.300 0.063 0.000 0.998 344 V CB 0.730 32.622 31.823 0.116 0.000 1.042 344 V HN 1.306 nan 8.190 nan 0.000 0.433 345 G N 0.202 108.918 108.800 -0.140 0.000 2.725 345 G HA2 0.488 4.448 3.960 -0.001 0.000 0.220 345 G HA3 0.488 4.448 3.960 -0.001 0.000 0.220 345 G C 0.739 175.523 174.900 -0.192 0.000 1.357 345 G CA 0.213 45.082 45.100 -0.385 0.000 0.866 345 G HN 3.251 nan 8.290 nan 0.000 0.548 346 G N -1.678 107.046 108.800 -0.127 0.000 2.466 346 G HA2 0.529 4.488 3.960 -0.001 0.000 0.316 346 G HA3 0.529 4.488 3.960 -0.001 0.000 0.316 346 G C -0.203 174.523 174.900 -0.290 0.000 1.270 346 G CA 0.816 45.828 45.100 -0.146 0.000 0.982 346 G HN 2.273 nan 8.290 nan 0.000 0.506 347 Q N -0.314 119.166 119.800 -0.533 0.000 2.306 347 Q HA 0.715 5.054 4.340 -0.001 0.000 0.269 347 Q C 0.333 176.130 176.000 -0.338 0.000 1.053 347 Q CA -0.644 54.810 55.803 -0.581 0.000 0.879 347 Q CB 1.646 29.688 28.738 -1.160 0.000 1.344 347 Q HN 0.893 nan 8.270 nan 0.000 0.464 348 N N -0.341 118.214 118.700 -0.241 0.000 2.566 348 N HA 0.074 4.814 4.740 -0.001 0.000 0.299 348 N C 0.475 175.910 175.510 -0.125 0.000 1.277 348 N CA -0.322 52.642 53.050 -0.144 0.000 0.965 348 N CB 0.335 38.772 38.487 -0.083 0.000 1.142 348 N HN 0.588 nan 8.380 nan 0.000 0.596 349 S N -1.336 114.326 115.700 -0.064 0.000 2.400 349 S HA -0.189 4.280 4.470 -0.001 0.000 0.232 349 S C 0.974 175.551 174.600 -0.038 0.000 1.025 349 S CA 1.450 59.628 58.200 -0.037 0.000 0.993 349 S CB -0.658 62.539 63.200 -0.003 0.000 0.808 349 S HN 0.734 nan 8.310 nan 0.000 0.478 350 E N -0.393 119.784 120.200 -0.038 0.000 2.437 350 E HA 0.301 4.650 4.350 -0.001 0.000 0.189 350 E C 0.974 177.551 176.600 -0.038 0.000 1.054 350 E CA 0.449 56.835 56.400 -0.023 0.000 0.874 350 E CB -0.311 29.388 29.700 -0.003 0.000 1.011 350 E HN 0.463 nan 8.360 nan 0.000 0.474 351 G N 1.480 110.217 108.800 -0.105 0.000 2.160 351 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.244 351 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.244 351 G C -0.187 174.639 174.900 -0.124 0.000 1.022 351 G CA 0.364 45.362 45.100 -0.170 0.000 0.741 351 G HN 0.270 nan 8.290 nan 0.000 0.508 352 K N -0.207 120.144 120.400 -0.081 0.000 2.221 352 K HA 0.462 4.782 4.320 -0.001 0.000 0.243 352 K C -0.228 176.409 176.600 0.060 0.000 0.968 352 K CA -0.921 55.410 56.287 0.075 0.000 0.846 352 K CB 1.339 33.877 32.500 0.063 0.000 1.141 352 K HN 0.154 nan 8.250 nan 0.000 0.434 353 D N 0.295 120.876 120.400 0.302 0.000 2.423 353 D HA 0.069 4.708 4.640 -0.001 0.000 0.238 353 D C -0.210 176.108 176.300 0.029 0.000 1.142 353 D CA 0.321 54.488 54.000 0.279 0.000 0.884 353 D CB 0.830 41.814 40.800 0.306 0.000 1.199 353 D HN 0.546 nan 8.370 nan 0.000 0.438 354 A N 2.560 125.339 122.820 -0.068 0.000 2.606 354 A HA 0.216 4.535 4.320 -0.001 0.000 0.290 354 A C 0.404 177.845 177.584 -0.239 0.000 1.174 354 A CA -0.445 51.503 52.037 -0.147 0.000 0.958 354 A CB -0.034 18.869 19.000 -0.161 0.000 1.194 354 A HN 0.511 nan 8.150 nan 0.000 0.526 355 T N 2.696 117.083 114.554 -0.278 0.000 2.888 355 T HA 0.354 4.703 4.350 -0.001 0.000 0.301 355 T C 0.159 174.676 174.700 -0.305 0.000 1.001 355 T CA 0.409 62.258 62.100 -0.418 0.000 1.147 355 T CB 0.126 68.703 68.868 -0.485 0.000 0.931 355 T HN 0.812 nan 8.240 nan 0.000 0.541 356 N N 0.941 119.434 118.700 -0.345 0.000 2.697 356 N HA 0.408 5.147 4.740 -0.001 0.000 0.272 356 N C 0.557 175.958 175.510 -0.181 0.000 1.381 356 N CA -1.175 51.619 53.050 -0.427 0.000 0.797 356 N CB 0.865 38.715 38.487 -1.061 0.000 1.523 356 N HN 0.170 nan 8.380 nan 0.000 0.518 357 K N -0.226 120.105 120.400 -0.115 0.000 2.059 357 K HA -0.084 4.235 4.320 -0.001 0.000 0.212 357 K C 1.206 177.772 176.600 -0.057 0.000 1.050 357 K CA 1.893 58.193 56.287 0.021 0.000 0.927 357 K CB -0.863 31.639 32.500 0.003 0.000 0.714 357 K HN 0.446 nan 8.250 nan 0.000 0.447 358 V N 0.569 120.423 119.914 -0.099 0.000 2.490 358 V HA -0.247 3.873 4.120 -0.001 0.000 0.250 358 V C 2.126 178.208 176.094 -0.020 0.000 1.061 358 V CA 2.017 64.270 62.300 -0.079 0.000 1.064 358 V CB -0.573 31.255 31.823 0.009 0.000 0.670 358 V HN 0.350 nan 8.190 nan 0.000 0.461 359 S N -0.875 114.786 115.700 -0.066 0.000 2.365 359 S HA -0.246 4.223 4.470 -0.001 0.000 0.225 359 S C 1.839 176.409 174.600 -0.050 0.000 1.039 359 S CA 2.002 60.156 58.200 -0.078 0.000 1.033 359 S CB -0.486 62.563 63.200 -0.252 0.000 0.887 359 S HN 0.667 nan 8.310 nan 0.000 0.447 360 Y N 1.185 121.521 120.300 0.060 0.000 2.263 360 Y HA 0.080 4.630 4.550 -0.001 0.000 0.292 360 Y C 2.454 178.324 175.900 -0.050 0.000 1.130 360 Y CA 0.727 58.852 58.100 0.042 0.000 1.179 360 Y CB -0.417 38.056 38.460 0.021 0.000 0.998 360 Y HN 0.176 nan 8.280 nan 0.000 0.532 361 M N -0.789 118.828 119.600 0.029 0.000 2.296 361 M HA -0.159 4.320 4.480 -0.001 0.000 0.265 361 M C 2.418 178.574 176.300 -0.239 0.000 1.064 361 M CA 1.301 56.530 55.300 -0.118 0.000 1.109 361 M CB -0.333 32.172 32.600 -0.158 0.000 1.396 361 M HN 0.339 nan 8.290 nan 0.000 0.430 362 A N 0.887 123.619 122.820 -0.145 0.000 1.873 362 A HA -0.096 4.223 4.320 -0.001 0.000 0.215 362 A C 2.081 179.550 177.584 -0.191 0.000 1.186 362 A CA 1.277 53.198 52.037 -0.194 0.000 0.616 362 A CB -0.809 18.263 19.000 0.119 0.000 0.823 362 A HN 0.445 nan 8.150 nan 0.000 0.442 363 L N -1.034 120.149 121.223 -0.067 0.000 2.046 363 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 363 L C 2.617 179.405 176.870 -0.138 0.000 1.077 363 L CA 1.711 56.528 54.840 -0.039 0.000 0.747 363 L CB -0.529 41.558 42.059 0.046 0.000 0.896 363 L HN 0.412 nan 8.230 nan 0.000 0.432 364 E N 0.558 120.664 120.200 -0.157 0.000 2.077 364 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 364 E C 2.200 178.422 176.600 -0.629 0.000 0.989 364 E CA 1.443 57.664 56.400 -0.299 0.000 0.800 364 E CB -0.140 29.370 29.700 -0.316 0.000 0.746 364 E HN 0.386 nan 8.360 nan 0.000 0.452 365 A N 0.551 122.945 122.820 -0.710 0.000 1.978 365 A HA -0.136 4.183 4.320 -0.001 0.000 0.220 365 A C 2.365 179.559 177.584 -0.650 0.000 1.170 365 A CA 1.939 53.426 52.037 -0.918 0.000 0.636 365 A CB -0.878 17.045 19.000 -1.794 0.000 0.810 365 A HN 0.373 nan 8.150 nan 0.000 0.448 366 A N -0.644 121.949 122.820 -0.377 0.000 1.933 366 A HA 0.024 4.343 4.320 -0.001 0.000 0.218 366 A C 2.121 179.613 177.584 -0.155 0.000 1.175 366 A CA 1.795 53.803 52.037 -0.048 0.000 0.628 366 A CB -0.670 18.333 19.000 0.006 0.000 0.814 366 A HN 0.451 nan 8.150 nan 0.000 0.444 367 V N -0.933 118.773 119.914 -0.346 0.000 2.788 367 V HA -0.163 3.956 4.120 -0.001 0.000 0.251 367 V C 2.108 178.158 176.094 -0.073 0.000 1.068 367 V CA 1.627 63.716 62.300 -0.351 0.000 1.090 367 V CB -1.146 30.194 31.823 -0.804 0.000 0.710 367 V HN 0.698 nan 8.190 nan 0.000 0.467 368 H N -0.565 118.388 119.070 -0.194 0.000 2.363 368 H HA -0.054 4.502 4.556 -0.001 0.000 0.301 368 H C 2.189 177.465 175.328 -0.086 0.000 1.074 368 H CA 1.461 57.432 56.048 -0.129 0.000 1.354 368 H CB 0.418 30.087 29.762 -0.156 0.000 1.397 368 H HN 0.306 nan 8.280 nan 0.000 0.516 369 V N 0.062 120.014 119.914 0.062 0.000 2.672 369 V HA -0.072 4.047 4.120 -0.001 0.000 0.242 369 V C 0.679 176.811 176.094 0.064 0.000 1.059 369 V CA 0.421 62.765 62.300 0.073 0.000 1.081 369 V CB -0.020 31.893 31.823 0.149 0.000 0.752 369 V HN 0.378 nan 8.190 nan 0.000 0.472 370 K N 0.508 120.944 120.400 0.060 0.000 3.257 370 K HA -0.200 4.119 4.320 -0.001 0.000 0.270 370 K C -0.508 176.126 176.600 0.056 0.000 0.984 370 K CA 0.257 56.568 56.287 0.041 0.000 0.739 370 K CB -1.577 30.931 32.500 0.013 0.000 1.351 370 K HN 0.375 nan 8.250 nan 0.000 0.463 371 L N -1.152 120.119 121.223 0.079 0.000 2.286 371 L HA 0.324 4.663 4.340 -0.001 0.000 0.265 371 L C -1.326 175.576 176.870 0.053 0.000 1.012 371 L CA -2.574 52.304 54.840 0.062 0.000 0.818 371 L CB 1.324 43.417 42.059 0.056 0.000 1.337 371 L HN -0.190 nan 8.230 nan 0.000 0.438 372 P HA -0.114 nan 4.420 nan 0.000 0.215 372 P C -0.326 176.981 177.300 0.012 0.000 1.153 372 P CA 1.174 64.303 63.100 0.049 0.000 0.853 372 P CB 0.230 31.973 31.700 0.071 0.000 0.788 373 Q N -0.630 119.151 119.800 -0.032 0.000 2.226 373 Q HA 0.344 4.684 4.340 -0.001 0.000 0.256 373 Q C -2.312 173.521 176.000 -0.279 0.000 0.962 373 Q CA -2.333 53.396 55.803 -0.123 0.000 0.887 373 Q CB 0.679 29.357 28.738 -0.099 0.000 1.282 373 Q HN 0.135 nan 8.270 nan 0.000 0.449 374 P HA 0.169 nan 4.420 nan 0.000 0.278 374 P C -0.668 176.489 177.300 -0.239 0.000 1.258 374 P CA -0.488 62.344 63.100 -0.445 0.000 0.811 374 P CB 0.746 31.980 31.700 -0.777 0.000 1.063 375 S N 1.098 116.733 115.700 -0.108 0.000 3.517 375 S HA 0.098 4.567 4.470 -0.001 0.000 0.284 375 S C 0.556 175.163 174.600 0.011 0.000 1.260 375 S CA -0.229 57.980 58.200 0.016 0.000 0.975 375 S CB -1.477 61.785 63.200 0.104 0.000 1.540 375 S HN 0.311 nan 8.310 nan 0.000 0.506 376 L N 3.631 124.854 121.223 0.000 0.000 2.490 376 L HA 0.253 4.592 4.340 -0.001 0.000 0.274 376 L C 0.159 177.083 176.870 0.090 0.000 1.201 376 L CA 0.954 55.819 54.840 0.041 0.000 0.869 376 L CB 0.368 42.493 42.059 0.110 0.000 1.123 376 L HN 0.417 nan 8.230 nan 0.000 0.484 377 S N 2.840 118.602 115.700 0.104 0.000 2.618 377 S HA 0.845 5.314 4.470 -0.001 0.000 0.277 377 S C -1.085 173.593 174.600 0.130 0.000 1.138 377 S CA -0.371 57.940 58.200 0.184 0.000 0.844 377 S CB 2.057 65.455 63.200 0.330 0.000 1.127 377 S HN 0.739 nan 8.310 nan 0.000 0.474 378 V N -0.482 119.528 119.914 0.159 0.000 2.841 378 V HA 0.698 4.818 4.120 -0.001 0.000 0.310 378 V C -0.961 175.338 176.094 0.343 0.000 1.090 378 V CA -1.045 61.368 62.300 0.190 0.000 0.930 378 V CB 1.633 33.457 31.823 0.001 0.000 1.014 378 V HN 0.814 nan 8.190 nan 0.000 0.425 379 R N 3.797 124.492 120.500 0.326 0.000 2.349 379 R HA 0.713 5.052 4.340 -0.001 0.000 0.299 379 R C -0.937 175.635 176.300 0.454 0.000 1.027 379 R CA -0.626 55.668 56.100 0.323 0.000 0.958 379 R CB 1.431 31.776 30.300 0.074 0.000 1.047 379 R HN 0.662 nan 8.270 nan 0.000 0.468 380 I N 3.631 124.504 120.570 0.506 0.000 2.569 380 I HA 0.480 4.649 4.170 -0.001 0.000 0.296 380 I C -0.225 176.224 176.117 0.553 0.000 1.028 380 I CA -0.678 60.965 61.300 0.572 0.000 1.082 380 I CB 1.589 40.020 38.000 0.719 0.000 1.264 380 I HN 0.757 nan 8.210 nan 0.000 0.429 381 W N 5.199 126.624 121.300 0.207 0.000 2.961 381 W HA 0.403 5.063 4.660 0.000 0.000 0.368 381 W C -0.134 176.459 176.519 0.124 0.000 1.213 381 W CA -0.731 56.694 57.345 0.134 0.000 1.173 381 W CB 0.553 30.064 29.460 0.086 0.000 1.487 381 W HN 0.539 nan 8.180 nan 0.000 0.585 382 N N 0.283 119.018 118.700 0.058 0.000 2.137 382 N HA -0.205 4.534 4.740 -0.001 0.000 0.190 382 N C 0.922 176.056 175.510 -0.626 0.000 1.017 382 N CA 1.563 54.485 53.050 -0.214 0.000 0.859 382 N CB 0.001 38.458 38.487 -0.049 0.000 1.002 382 N HN 0.215 nan 8.380 nan 0.000 0.428 383 K N 0.728 120.188 120.400 -1.567 0.000 2.576 383 K HA 0.145 4.464 4.320 -0.001 0.000 0.209 383 K C -0.466 175.568 176.600 -0.944 0.000 1.049 383 K CA -0.099 55.444 56.287 -1.240 0.000 1.140 383 K CB 0.926 32.678 32.500 -1.246 0.000 0.871 383 K HN -0.021 nan 8.250 nan 0.000 0.479 384 T N 3.660 117.760 114.554 -0.757 0.000 2.902 384 T HA 0.060 4.409 4.350 -0.001 0.000 0.301 384 T C -2.388 172.282 174.700 -0.048 0.000 1.012 384 T CA -0.780 61.208 62.100 -0.186 0.000 1.151 384 T CB 0.436 69.365 68.868 0.101 0.000 0.946 384 T HN 0.000 nan 8.240 nan 0.000 0.542 385 P HA 0.114 nan 4.420 nan 0.000 0.267 385 P C 0.603 177.994 177.300 0.151 0.000 1.209 385 P CA -0.229 62.925 63.100 0.090 0.000 0.763 385 P CB 0.494 32.271 31.700 0.129 0.000 0.816 386 D N 3.056 123.504 120.400 0.079 0.000 2.133 386 D HA -0.217 4.423 4.640 -0.001 0.000 0.192 386 D C 1.684 178.046 176.300 0.102 0.000 1.001 386 D CA 1.434 55.475 54.000 0.068 0.000 0.844 386 D CB -0.087 40.727 40.800 0.024 0.000 0.944 386 D HN 0.584 nan 8.370 nan 0.000 0.447 387 E N 0.444 120.721 120.200 0.128 0.000 2.153 387 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 387 E C 2.195 178.956 176.600 0.269 0.000 0.988 387 E CA 0.600 57.089 56.400 0.148 0.000 0.811 387 E CB -0.862 28.912 29.700 0.124 0.000 0.746 387 E HN 0.329 nan 8.360 nan 0.000 0.466 388 F N 1.892 121.949 119.950 0.180 0.000 2.084 388 F HA -0.091 4.435 4.527 -0.001 0.000 0.296 388 F C 2.256 178.117 175.800 0.102 0.000 1.111 388 F CA 1.140 59.226 58.000 0.143 0.000 1.224 388 F CB -0.382 38.642 39.000 0.039 0.000 0.991 388 F HN 0.071 nan 8.300 nan 0.000 0.471 389 L N 0.375 121.642 121.223 0.074 0.000 2.046 389 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 389 L C 2.069 178.926 176.870 -0.021 0.000 1.077 389 L CA 1.768 56.611 54.840 0.005 0.000 0.747 389 L CB -0.970 41.145 42.059 0.093 0.000 0.896 389 L HN 0.253 nan 8.230 nan 0.000 0.432 390 L N -0.971 120.252 121.223 0.001 0.000 2.093 390 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 390 L C 2.729 179.587 176.870 -0.021 0.000 1.085 390 L CA 1.098 55.927 54.840 -0.018 0.000 0.755 390 L CB -0.516 41.534 42.059 -0.014 0.000 0.904 390 L HN 0.252 nan 8.230 nan 0.000 0.435 391 R N 0.736 121.233 120.500 -0.005 0.000 2.096 391 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 391 R C 2.176 178.470 176.300 -0.011 0.000 1.127 391 R CA 1.653 57.762 56.100 0.014 0.000 0.968 391 R CB -0.660 29.737 30.300 0.162 0.000 0.861 391 R HN 0.319 nan 8.270 nan 0.000 0.440 392 A N -0.026 122.712 122.820 -0.137 0.000 1.930 392 A HA 0.009 4.328 4.320 -0.001 0.000 0.217 392 A C 2.321 179.956 177.584 0.084 0.000 1.175 392 A CA 1.610 53.580 52.037 -0.112 0.000 0.627 392 A CB -0.895 17.969 19.000 -0.226 0.000 0.815 392 A HN 0.442 nan 8.150 nan 0.000 0.443 393 A N -0.172 122.693 122.820 0.076 0.000 1.902 393 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 393 A C 1.915 179.526 177.584 0.045 0.000 1.181 393 A CA 1.565 53.627 52.037 0.043 0.000 0.623 393 A CB -0.509 18.456 19.000 -0.059 0.000 0.818 393 A HN 0.618 nan 8.150 nan 0.000 0.443 394 E N -0.754 119.484 120.200 0.063 0.000 2.118 394 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 394 E C 1.938 178.714 176.600 0.294 0.000 0.992 394 E CA 1.263 57.739 56.400 0.126 0.000 0.804 394 E CB -0.272 29.445 29.700 0.029 0.000 0.741 394 E HN 0.522 nan 8.360 nan 0.000 0.458 395 L N 1.042 122.449 121.223 0.306 0.000 2.046 395 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 395 L C 2.200 179.122 176.870 0.086 0.000 1.077 395 L CA 1.972 56.908 54.840 0.160 0.000 0.747 395 L CB -0.854 41.242 42.059 0.063 0.000 0.896 395 L HN -0.001 nan 8.230 nan 0.000 0.432 396 T N -0.447 114.176 114.554 0.114 0.000 2.759 396 T HA -0.245 4.105 4.350 -0.001 0.000 0.269 396 T C 1.992 176.729 174.700 0.062 0.000 1.042 396 T CA 1.688 63.858 62.100 0.118 0.000 1.140 396 T CB -0.318 68.640 68.868 0.151 0.000 0.864 396 T HN 0.369 nan 8.240 nan 0.000 0.455 397 R N 0.938 121.464 120.500 0.043 0.000 2.152 397 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 397 R C 2.006 178.328 176.300 0.037 0.000 1.117 397 R CA 0.966 57.078 56.100 0.020 0.000 0.981 397 R CB -0.030 30.280 30.300 0.015 0.000 0.870 397 R HN 0.235 nan 8.270 nan 0.000 0.451 398 E N -0.237 119.994 120.200 0.053 0.000 2.333 398 E HA -0.082 4.267 4.350 -0.001 0.000 0.198 398 E C 1.025 177.627 176.600 0.003 0.000 1.007 398 E CA 1.072 57.483 56.400 0.019 0.000 0.845 398 E CB -0.085 29.581 29.700 -0.056 0.000 0.766 398 E HN 0.619 nan 8.360 nan 0.000 0.507 399 G N 1.122 109.931 108.800 0.015 0.000 2.176 399 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.252 399 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.252 399 G C 0.768 175.674 174.900 0.010 0.000 1.024 399 G CA 0.545 45.653 45.100 0.013 0.000 0.755 399 G HN 0.341 nan 8.290 nan 0.000 0.507 400 L N -0.529 120.703 121.223 0.014 0.000 2.558 400 L HA 0.371 4.711 4.340 -0.001 0.000 0.225 400 L C 2.304 179.194 176.870 0.033 0.000 1.128 400 L CA 0.873 55.723 54.840 0.016 0.000 0.868 400 L CB -0.039 42.022 42.059 0.004 0.000 1.006 400 L HN 1.008 nan 8.230 nan 0.000 0.454 401 G N 0.386 109.218 108.800 0.053 0.000 2.175 401 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.244 401 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.244 401 G C 0.157 175.111 174.900 0.089 0.000 0.982 401 G CA -0.168 44.973 45.100 0.069 0.000 0.641 401 G HN 0.200 nan 8.290 nan 0.000 0.527 402 L N 1.873 123.142 121.223 0.076 0.000 2.344 402 L HA 0.675 5.014 4.340 -0.001 0.000 0.272 402 L C -1.788 175.122 176.870 0.066 0.000 1.035 402 L CA -2.320 52.557 54.840 0.063 0.000 0.807 402 L CB 1.956 44.040 42.059 0.041 0.000 1.237 402 L HN -0.003 nan 8.230 nan 0.000 0.442 403 P HA 0.384 nan 4.420 nan 0.000 0.288 403 P C -1.519 175.702 177.300 -0.132 0.000 1.297 403 P CA -0.749 62.294 63.100 -0.096 0.000 0.864 403 P CB 1.845 33.414 31.700 -0.217 0.000 1.237 404 A N 0.648 123.463 122.820 -0.008 0.000 2.331 404 A HA 0.522 4.841 4.320 -0.001 0.000 0.283 404 A C -0.927 176.593 177.584 -0.107 0.000 1.142 404 A CA -0.223 51.843 52.037 0.049 0.000 0.812 404 A CB -0.379 18.808 19.000 0.312 0.000 1.074 404 A HN 0.415 nan 8.150 nan 0.000 0.497 405 Y N 0.630 120.831 120.300 -0.166 0.000 2.342 405 Y HA 0.526 5.075 4.550 -0.001 0.000 0.334 405 Y C -0.711 175.175 175.900 -0.024 0.000 1.067 405 Y CA -0.016 58.116 58.100 0.053 0.000 1.128 405 Y CB 1.199 39.704 38.460 0.075 0.000 1.200 405 Y HN 0.578 nan 8.280 nan 0.000 0.464 406 Y N 1.111 121.742 120.300 0.552 0.000 2.391 406 Y HA 0.283 4.833 4.550 -0.001 0.000 0.341 406 Y C -0.161 175.711 175.900 -0.047 0.000 0.965 406 Y CA -1.371 56.899 58.100 0.284 0.000 1.067 406 Y CB 1.513 40.127 38.460 0.258 0.000 1.199 406 Y HN 0.518 nan 8.280 nan 0.000 0.450 407 N N 2.374 120.686 118.700 -0.647 0.000 2.415 407 N HA 0.081 4.820 4.740 -0.001 0.000 0.246 407 N C 0.186 175.443 175.510 -0.422 0.000 1.078 407 N CA 0.146 52.628 53.050 -0.947 0.000 0.942 407 N CB 0.625 38.089 38.487 -1.706 0.000 1.140 407 N HN 0.631 nan 8.380 nan 0.000 0.501 408 D N 1.748 122.109 120.400 -0.064 0.000 2.123 408 D HA -0.148 4.491 4.640 -0.001 0.000 0.196 408 D C 1.121 177.381 176.300 -0.066 0.000 0.992 408 D CA 1.198 55.224 54.000 0.044 0.000 0.833 408 D CB 0.300 41.199 40.800 0.166 0.000 0.954 408 D HN 0.581 nan 8.370 nan 0.000 0.455 409 E N -0.025 120.153 120.200 -0.036 0.000 2.209 409 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 409 E C 2.145 178.679 176.600 -0.109 0.000 0.993 409 E CA 0.414 56.807 56.400 -0.012 0.000 0.819 409 E CB -0.065 29.658 29.700 0.038 0.000 0.745 409 E HN 0.248 nan 8.360 nan 0.000 0.477 410 V N 0.508 120.228 119.914 -0.323 0.000 2.581 410 V HA -0.029 4.091 4.120 -0.001 0.000 0.240 410 V C 2.307 178.106 176.094 -0.491 0.000 1.054 410 V CA 0.428 62.411 62.300 -0.528 0.000 1.076 410 V CB -0.223 31.154 31.823 -0.743 0.000 0.748 410 V HN 0.104 nan 8.190 nan 0.000 0.474 411 I N 0.310 120.517 120.570 -0.605 0.000 2.163 411 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 411 I C 2.354 178.220 176.117 -0.419 0.000 1.085 411 I CA 1.986 62.898 61.300 -0.647 0.000 1.347 411 I CB -0.368 36.995 38.000 -1.062 0.000 1.044 411 I HN 0.241 nan 8.210 nan 0.000 0.408 412 I N 0.635 121.022 120.570 -0.305 0.000 2.127 412 I HA -0.229 3.941 4.170 -0.001 0.000 0.241 412 I C -0.313 175.773 176.117 -0.052 0.000 1.075 412 I CA 1.873 63.090 61.300 -0.138 0.000 1.334 412 I CB -1.819 36.154 38.000 -0.045 0.000 1.040 412 I HN 0.161 nan 8.210 nan 0.000 0.405 413 P HA -0.162 nan 4.420 nan 0.000 0.215 413 P C 1.489 178.872 177.300 0.139 0.000 1.153 413 P CA 1.835 65.007 63.100 0.119 0.000 0.853 413 P CB -0.036 31.826 31.700 0.270 0.000 0.788 414 A N -0.704 122.198 122.820 0.137 0.000 1.933 414 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 414 A C 2.207 179.811 177.584 0.033 0.000 1.175 414 A CA 1.449 53.572 52.037 0.143 0.000 0.628 414 A CB -1.633 17.426 19.000 0.098 0.000 0.814 414 A HN 0.113 nan 8.150 nan 0.000 0.444 415 L N -0.629 120.566 121.223 -0.047 0.000 2.027 415 L HA -0.136 4.203 4.340 -0.001 0.000 0.206 415 L C 2.518 179.369 176.870 -0.031 0.000 1.074 415 L CA 1.034 55.822 54.840 -0.086 0.000 0.745 415 L CB -0.586 41.390 42.059 -0.139 0.000 0.898 415 L HN 0.243 nan 8.230 nan 0.000 0.433 416 V N -0.954 118.960 119.914 -0.001 0.000 2.392 416 V HA -0.303 3.816 4.120 -0.001 0.000 0.249 416 V C 2.696 178.821 176.094 0.053 0.000 1.059 416 V CA 1.980 64.297 62.300 0.029 0.000 1.051 416 V CB -0.483 31.362 31.823 0.037 0.000 0.658 416 V HN 0.454 nan 8.190 nan 0.000 0.455 417 S N -0.302 115.433 115.700 0.058 0.000 2.400 417 S HA -0.183 4.286 4.470 -0.001 0.000 0.232 417 S C 1.929 176.579 174.600 0.083 0.000 1.025 417 S CA 1.149 59.390 58.200 0.068 0.000 0.993 417 S CB -0.243 63.007 63.200 0.083 0.000 0.808 417 S HN 0.464 nan 8.310 nan 0.000 0.478 418 R N 0.024 120.576 120.500 0.087 0.000 2.310 418 R HA 0.204 4.543 4.340 -0.001 0.000 0.202 418 R C 1.568 178.019 176.300 0.251 0.000 0.933 418 R CA 0.741 56.938 56.100 0.162 0.000 1.054 418 R CB -0.301 30.042 30.300 0.072 0.000 0.985 418 R HN 0.580 nan 8.270 nan 0.000 0.489 419 G N 0.040 108.941 108.800 0.168 0.000 2.211 419 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.201 419 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.201 419 G C -0.167 174.866 174.900 0.222 0.000 0.997 419 G CA -0.554 44.664 45.100 0.197 0.000 0.652 419 G HN 0.126 nan 8.290 nan 0.000 0.500 420 L N 2.631 123.892 121.223 0.063 0.000 2.417 420 L HA 0.567 4.906 4.340 -0.001 0.000 0.268 420 L C 1.623 178.546 176.870 0.088 0.000 1.158 420 L CA 0.590 55.396 54.840 -0.056 0.000 0.819 420 L CB 0.868 42.745 42.059 -0.302 0.000 1.112 420 L HN 0.404 nan 8.230 nan 0.000 0.458 421 T N -0.665 113.985 114.554 0.162 0.000 2.813 421 T HA 0.152 4.501 4.350 -0.001 0.000 0.297 421 T C 1.109 175.852 174.700 0.072 0.000 1.036 421 T CA -0.575 61.597 62.100 0.119 0.000 1.044 421 T CB 0.483 69.430 68.868 0.133 0.000 0.993 421 T HN 0.474 nan 8.240 nan 0.000 0.535 422 L N 0.708 121.965 121.223 0.056 0.000 2.046 422 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 422 L C 2.535 179.425 176.870 0.034 0.000 1.077 422 L CA 1.780 56.643 54.840 0.037 0.000 0.747 422 L CB -1.148 40.930 42.059 0.032 0.000 0.896 422 L HN 0.864 nan 8.230 nan 0.000 0.432 423 E N -0.598 119.629 120.200 0.044 0.000 2.031 423 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 423 E C 1.841 178.474 176.600 0.055 0.000 0.994 423 E CA 1.431 57.856 56.400 0.041 0.000 0.800 423 E CB -0.196 29.534 29.700 0.050 0.000 0.752 423 E HN 0.536 nan 8.360 nan 0.000 0.447 424 D N 0.396 120.847 120.400 0.085 0.000 2.117 424 D HA -0.129 4.510 4.640 -0.001 0.000 0.197 424 D C 1.912 178.251 176.300 0.066 0.000 0.987 424 D CA 1.279 55.339 54.000 0.101 0.000 0.829 424 D CB -0.277 40.623 40.800 0.168 0.000 0.961 424 D HN 0.161 nan 8.370 nan 0.000 0.460 425 A N 1.021 123.864 122.820 0.037 0.000 1.908 425 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 425 A C 2.155 179.807 177.584 0.115 0.000 1.181 425 A CA 1.255 53.313 52.037 0.036 0.000 0.627 425 A CB -0.464 18.534 19.000 -0.004 0.000 0.818 425 A HN 0.137 nan 8.150 nan 0.000 0.445 426 R N -0.979 119.557 120.500 0.060 0.000 2.189 426 R HA -0.088 4.251 4.340 -0.001 0.000 0.223 426 R C 0.705 176.999 176.300 -0.010 0.000 1.092 426 R CA 1.230 57.343 56.100 0.021 0.000 0.989 426 R CB -0.177 30.088 30.300 -0.058 0.000 0.876 426 R HN 0.464 nan 8.270 nan 0.000 0.457 427 D N 0.041 120.453 120.400 0.020 0.000 2.358 427 D HA -0.021 4.618 4.640 -0.001 0.000 0.224 427 D C -0.362 175.932 176.300 -0.009 0.000 1.123 427 D CA -0.416 53.573 54.000 -0.020 0.000 0.833 427 D CB 0.045 40.862 40.800 0.028 0.000 0.946 427 D HN 0.127 nan 8.370 nan 0.000 0.505 428 Y N -0.918 119.360 120.300 -0.037 0.000 2.511 428 Y HA 0.479 5.028 4.550 -0.002 0.000 0.347 428 Y C 0.617 176.496 175.900 -0.034 0.000 1.257 428 Y CA -0.507 57.571 58.100 -0.037 0.000 1.469 428 Y CB 0.596 39.011 38.460 -0.074 0.000 1.353 428 Y HN -0.115 nan 8.280 nan 0.000 0.617 429 G N 2.619 111.458 108.800 0.065 0.000 2.730 429 G HA2 0.614 4.573 3.960 -0.001 0.000 0.289 429 G HA3 0.614 4.573 3.960 -0.001 0.000 0.289 429 G C -1.747 173.189 174.900 0.060 0.000 1.341 429 G CA -1.171 43.905 45.100 -0.039 0.000 0.932 429 G HN 0.621 nan 8.290 nan 0.000 0.481 430 I N 0.950 121.483 120.570 -0.062 0.000 2.412 430 I HA 0.391 4.560 4.170 -0.001 0.000 0.296 430 I C -0.429 175.643 176.117 -0.075 0.000 0.987 430 I CA -0.796 60.423 61.300 -0.135 0.000 1.180 430 I CB 1.552 39.307 38.000 -0.407 0.000 1.340 430 I HN 0.143 nan 8.210 nan 0.000 0.455 431 I N 4.322 124.825 120.570 -0.111 0.000 2.392 431 I HA 0.417 4.586 4.170 -0.001 0.000 0.295 431 I C 1.210 177.289 176.117 -0.064 0.000 0.985 431 I CA 0.118 61.375 61.300 -0.072 0.000 1.221 431 I CB 0.762 38.677 38.000 -0.142 0.000 1.366 431 I HN 0.860 nan 8.210 nan 0.000 0.467 432 G N 5.649 114.430 108.800 -0.031 0.000 2.698 432 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.337 432 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.337 432 G C 1.045 175.970 174.900 0.042 0.000 1.196 432 G CA 0.890 45.983 45.100 -0.011 0.000 0.965 432 G HN 0.604 nan 8.290 nan 0.000 0.550 433 C N -0.738 118.502 119.300 -0.100 0.000 2.611 433 C HA 0.474 4.933 4.460 -0.001 0.000 0.283 433 C C 2.268 177.252 174.990 -0.011 0.000 1.340 433 C CA 2.145 61.121 59.018 -0.069 0.000 1.716 433 C CB -0.437 27.104 27.740 -0.331 0.000 2.134 433 C HN 1.441 nan 8.230 nan 0.000 0.526 434 V N -1.902 117.927 119.914 -0.142 0.000 3.663 434 V HA 0.324 4.444 4.120 -0.001 0.000 0.353 434 V C -0.894 175.267 176.094 0.113 0.000 1.551 434 V CA -0.154 62.236 62.300 0.150 0.000 1.331 434 V CB -0.884 30.984 31.823 0.076 0.000 1.059 434 V HN 0.344 nan 8.190 nan 0.000 0.502 435 E N 3.472 123.640 120.200 -0.054 0.000 2.105 435 E HA 0.497 4.846 4.350 -0.001 0.000 0.285 435 E C -2.819 173.643 176.600 -0.231 0.000 1.055 435 E CA -1.711 54.620 56.400 -0.115 0.000 0.843 435 E CB 0.998 30.594 29.700 -0.174 0.000 1.067 435 E HN 0.390 nan 8.360 nan 0.000 0.398 436 P HA 0.095 nan 4.420 nan 0.000 0.285 436 P C -1.123 176.118 177.300 -0.099 0.000 1.259 436 P CA -0.480 62.575 63.100 -0.075 0.000 0.794 436 P CB 0.816 32.446 31.700 -0.116 0.000 0.940 437 Q N 0.546 120.359 119.800 0.021 0.000 2.633 437 Q HA 0.508 4.848 4.340 -0.001 0.000 0.289 437 Q C -1.422 174.666 176.000 0.146 0.000 0.940 437 Q CA -1.260 54.604 55.803 0.101 0.000 0.785 437 Q CB 0.995 29.868 28.738 0.225 0.000 1.467 437 Q HN -0.046 nan 8.270 nan 0.000 0.401 438 K N 2.166 122.649 120.400 0.139 0.000 2.273 438 K HA 0.420 4.739 4.320 -0.001 0.000 0.287 438 K C -2.584 174.137 176.600 0.201 0.000 1.089 438 K CA -1.854 54.527 56.287 0.156 0.000 0.909 438 K CB 0.738 33.321 32.500 0.138 0.000 1.123 438 K HN 0.377 nan 8.250 nan 0.000 0.473 439 P HA 0.101 nan 4.420 nan 0.000 0.269 439 P C 0.370 177.765 177.300 0.158 0.000 1.215 439 P CA 0.550 63.760 63.100 0.184 0.000 0.780 439 P CB 0.721 32.545 31.700 0.207 0.000 0.898 440 G N 1.371 110.241 108.800 0.118 0.000 2.189 440 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.267 440 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.267 440 G C 0.585 175.535 174.900 0.084 0.000 0.975 440 G CA 0.507 45.648 45.100 0.068 0.000 0.644 440 G HN 0.599 nan 8.290 nan 0.000 0.537 441 K N -0.429 120.060 120.400 0.148 0.000 2.553 441 K HA 0.216 4.536 4.320 -0.001 0.000 0.205 441 K C -0.107 176.625 176.600 0.220 0.000 1.168 441 K CA 0.320 56.702 56.287 0.158 0.000 1.043 441 K CB 1.316 33.956 32.500 0.233 0.000 0.967 441 K HN 0.277 nan 8.250 nan 0.000 0.585 442 T N 0.770 115.458 114.554 0.223 0.000 2.900 442 T HA 0.295 4.644 4.350 -0.001 0.000 0.295 442 T C -1.322 173.474 174.700 0.160 0.000 1.044 442 T CA -0.638 61.612 62.100 0.251 0.000 0.995 442 T CB 2.476 71.567 68.868 0.373 0.000 1.072 442 T HN -0.066 nan 8.240 nan 0.000 0.473 443 E N 0.725 120.990 120.200 0.108 0.000 2.437 443 E HA 0.525 4.874 4.350 -0.001 0.000 0.238 443 E C 0.780 177.404 176.600 0.039 0.000 0.969 443 E CA -0.525 55.907 56.400 0.052 0.000 0.759 443 E CB 0.058 29.739 29.700 -0.032 0.000 1.283 443 E HN 0.771 nan 8.360 nan 0.000 0.416 444 G N 2.299 111.099 108.800 0.000 0.000 2.662 444 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.212 444 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.212 444 G C -0.137 174.596 174.900 -0.279 0.000 1.141 444 G CA -0.174 44.741 45.100 -0.308 0.000 0.797 444 G HN 0.636 nan 8.290 nan 0.000 0.531 445 W N 1.155 122.227 121.300 -0.381 0.000 5.770 445 W HA -0.170 4.489 4.660 -0.001 0.000 0.389 445 W C 0.901 177.342 176.519 -0.129 0.000 1.469 445 W CA -0.177 57.045 57.345 -0.205 0.000 0.975 445 W CB -2.382 26.966 29.460 -0.186 0.000 2.622 445 W HN 0.444 nan 8.180 nan 0.000 1.500 446 H N -1.008 118.181 119.070 0.199 0.000 2.557 446 H HA -0.079 4.476 4.556 -0.001 0.000 0.287 446 H C 1.172 176.571 175.328 0.118 0.000 1.043 446 H CA 1.833 57.992 56.048 0.186 0.000 1.226 446 H CB 0.189 30.113 29.762 0.269 0.000 1.361 446 H HN 0.189 nan 8.280 nan 0.000 0.592 447 D N -0.549 119.784 120.400 -0.112 0.000 3.220 447 D HA 0.010 4.649 4.640 -0.001 0.000 0.309 447 D C 0.917 176.719 176.300 -0.830 0.000 1.276 447 D CA 0.056 53.845 54.000 -0.351 0.000 0.736 447 D CB -0.001 40.723 40.800 -0.126 0.000 1.304 447 D HN 0.087 nan 8.370 nan 0.000 0.582 448 S N -0.382 114.983 115.700 -0.558 0.000 2.515 448 S HA 0.454 4.923 4.470 -0.001 0.000 0.231 448 S C 0.895 175.236 174.600 -0.432 0.000 0.987 448 S CA 0.529 58.379 58.200 -0.583 0.000 0.936 448 S CB 0.281 63.532 63.200 0.084 0.000 0.766 448 S HN 0.520 nan 8.310 nan 0.000 0.528 449 A N -0.358 122.211 122.820 -0.419 0.000 2.549 449 A HA 0.636 4.955 4.320 -0.001 0.000 0.291 449 A C -1.826 175.533 177.584 -0.376 0.000 1.034 449 A CA -0.919 50.972 52.037 -0.244 0.000 0.655 449 A CB 0.119 19.123 19.000 0.006 0.000 1.299 449 A HN 0.290 nan 8.150 nan 0.000 0.427 450 F N 0.224 120.223 119.950 0.081 0.000 2.493 450 F HA 0.662 5.188 4.527 -0.001 0.000 0.329 450 F C -0.514 175.533 175.800 0.413 0.000 1.126 450 F CA -0.321 57.727 58.000 0.081 0.000 0.937 450 F CB 2.032 40.891 39.000 -0.234 0.000 1.146 450 F HN 0.571 nan 8.300 nan 0.000 0.442 451 F N 4.303 124.485 119.950 0.388 0.000 2.467 451 F HA 0.398 4.924 4.527 -0.001 0.000 0.336 451 F C -0.302 175.553 175.800 0.092 0.000 1.123 451 F CA -0.781 57.350 58.000 0.220 0.000 0.964 451 F CB 0.928 39.951 39.000 0.038 0.000 1.136 451 F HN 0.319 nan 8.300 nan 0.000 0.447 452 N N 6.892 125.169 118.700 -0.705 0.000 2.439 452 N HA 0.150 4.890 4.740 -0.001 0.000 0.243 452 N C 0.756 175.964 175.510 -0.503 0.000 1.088 452 N CA 0.117 52.731 53.050 -0.727 0.000 0.940 452 N CB 0.687 38.389 38.487 -1.308 0.000 1.180 452 N HN 0.875 nan 8.380 nan 0.000 0.505 453 L N 2.642 123.790 121.223 -0.125 0.000 2.093 453 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 453 L C 2.333 179.205 176.870 0.003 0.000 1.085 453 L CA 1.158 56.022 54.840 0.040 0.000 0.755 453 L CB -0.359 41.744 42.059 0.073 0.000 0.904 453 L HN 0.518 nan 8.230 nan 0.000 0.435 454 A N -0.081 122.700 122.820 -0.066 0.000 1.908 454 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 454 A C 2.391 179.910 177.584 -0.110 0.000 1.181 454 A CA 1.318 53.321 52.037 -0.057 0.000 0.627 454 A CB -0.408 18.549 19.000 -0.072 0.000 0.818 454 A HN 0.239 nan 8.150 nan 0.000 0.445 455 R N -0.413 119.940 120.500 -0.245 0.000 2.120 455 R HA -0.076 4.263 4.340 -0.001 0.000 0.234 455 R C 1.878 178.044 176.300 -0.223 0.000 1.123 455 R CA 1.038 56.956 56.100 -0.302 0.000 0.975 455 R CB -0.658 29.338 30.300 -0.506 0.000 0.866 455 R HN 0.511 nan 8.270 nan 0.000 0.446 456 I N 0.266 120.747 120.570 -0.148 0.000 2.315 456 I HA -0.177 3.993 4.170 -0.001 0.000 0.248 456 I C 2.415 178.586 176.117 0.089 0.000 1.117 456 I CA 0.916 62.209 61.300 -0.013 0.000 1.404 456 I CB -1.032 37.026 38.000 0.098 0.000 1.071 456 I HN -0.127 nan 8.210 nan 0.000 0.419 457 V N 0.795 120.796 119.914 0.144 0.000 2.343 457 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 457 V C 2.567 178.693 176.094 0.052 0.000 1.051 457 V CA 1.867 64.264 62.300 0.162 0.000 1.036 457 V CB -0.605 31.307 31.823 0.148 0.000 0.654 457 V HN 0.451 nan 8.190 nan 0.000 0.451 458 E N -0.004 120.189 120.200 -0.011 0.000 2.110 458 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 458 E C 2.117 178.687 176.600 -0.050 0.000 0.988 458 E CA 1.226 57.596 56.400 -0.050 0.000 0.804 458 E CB -0.093 29.550 29.700 -0.095 0.000 0.745 458 E HN 0.574 nan 8.360 nan 0.000 0.458 459 L N 0.209 121.401 121.223 -0.052 0.000 2.395 459 L HA -0.051 4.289 4.340 -0.001 0.000 0.218 459 L C 2.293 179.156 176.870 -0.012 0.000 1.130 459 L CA 0.781 55.608 54.840 -0.021 0.000 0.826 459 L CB -0.023 42.029 42.059 -0.010 0.000 0.941 459 L HN 0.161 nan 8.230 nan 0.000 0.451 460 T N -0.106 114.415 114.554 -0.055 0.000 2.851 460 T HA -0.033 4.316 4.350 -0.001 0.000 0.262 460 T C 1.924 176.515 174.700 -0.182 0.000 1.043 460 T CA 1.000 63.001 62.100 -0.165 0.000 1.140 460 T CB -0.005 68.645 68.868 -0.363 0.000 0.872 460 T HN 0.172 nan 8.240 nan 0.000 0.446 461 I N 1.634 122.100 120.570 -0.172 0.000 2.394 461 I HA -0.096 4.073 4.170 -0.001 0.000 0.251 461 I C 1.444 177.549 176.117 -0.020 0.000 1.136 461 I CA 0.909 62.057 61.300 -0.252 0.000 1.425 461 I CB -0.168 37.685 38.000 -0.246 0.000 1.079 461 I HN 0.158 nan 8.210 nan 0.000 0.425 462 N N 0.545 119.254 118.700 0.016 0.000 2.279 462 N HA 0.072 4.811 4.740 -0.001 0.000 0.226 462 N C 0.105 175.683 175.510 0.114 0.000 1.126 462 N CA 0.134 53.236 53.050 0.088 0.000 0.846 462 N CB 0.607 39.149 38.487 0.091 0.000 1.050 462 N HN -0.012 nan 8.380 nan 0.000 0.502 463 S N 0.017 115.763 115.700 0.076 0.000 3.559 463 S HA -0.194 4.275 4.470 -0.001 0.000 0.369 463 S C 1.240 175.896 174.600 0.093 0.000 0.987 463 S CA 0.783 59.024 58.200 0.069 0.000 1.187 463 S CB -1.612 61.624 63.200 0.060 0.000 0.914 463 S HN 0.773 nan 8.310 nan 0.000 0.480 464 G N -0.527 108.332 108.800 0.099 0.000 2.166 464 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 464 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 464 G C -0.122 174.883 174.900 0.175 0.000 0.986 464 G CA 0.464 45.638 45.100 0.124 0.000 0.683 464 G HN 0.807 nan 8.290 nan 0.000 0.527 465 F N 1.328 121.276 119.950 -0.003 0.000 2.415 465 F HA 0.631 5.157 4.527 -0.001 0.000 0.348 465 F C -0.058 175.729 175.800 -0.021 0.000 1.119 465 F CA -1.451 56.544 58.000 -0.009 0.000 1.069 465 F CB 1.764 40.760 39.000 -0.007 0.000 1.124 465 F HN 0.092 nan 8.300 nan 0.000 0.472 466 D N 4.340 124.486 120.400 -0.423 0.000 2.890 466 D HA 0.291 4.930 4.640 -0.001 0.000 0.233 466 D C -1.285 174.764 176.300 -0.418 0.000 1.306 466 D CA -0.452 53.358 54.000 -0.317 0.000 0.929 466 D CB 0.756 41.437 40.800 -0.198 0.000 1.512 466 D HN 0.571 nan 8.370 nan 0.000 0.568 467 K N 3.288 123.490 120.400 -0.329 0.000 3.244 467 K HA -0.233 4.086 4.320 -0.001 0.000 0.270 467 K C -0.195 176.193 176.600 -0.352 0.000 1.016 467 K CA 0.466 56.595 56.287 -0.264 0.000 0.754 467 K CB -1.303 31.078 32.500 -0.197 0.000 1.326 467 K HN 0.677 nan 8.250 nan 0.000 0.465 468 N N -0.658 117.733 118.700 -0.514 0.000 2.713 468 N HA -0.201 4.539 4.740 -0.001 0.000 0.251 468 N C -0.657 174.493 175.510 -0.599 0.000 1.117 468 N CA 2.264 55.040 53.050 -0.457 0.000 0.770 468 N CB -0.504 37.935 38.487 -0.080 0.000 1.137 468 N HN 0.793 nan 8.380 nan 0.000 0.566 469 K N -0.817 119.030 120.400 -0.922 0.000 2.482 469 K HA 0.449 4.769 4.320 -0.001 0.000 0.251 469 K C -0.508 175.820 176.600 -0.454 0.000 0.936 469 K CA -0.882 55.127 56.287 -0.463 0.000 0.791 469 K CB 1.841 34.203 32.500 -0.229 0.000 1.213 469 K HN -0.222 nan 8.250 nan 0.000 0.428 470 Q N 3.709 123.506 119.800 -0.004 0.000 2.431 470 Q HA 0.141 4.480 4.340 -0.001 0.000 0.234 470 Q C 0.458 176.479 176.000 0.036 0.000 1.203 470 Q CA -0.064 55.841 55.803 0.170 0.000 0.902 470 Q CB 0.136 29.020 28.738 0.244 0.000 1.455 470 Q HN 0.848 nan 8.270 nan 0.000 0.515 471 I N -0.165 120.420 120.570 0.025 0.000 3.228 471 I HA 0.440 4.609 4.170 -0.001 0.000 0.279 471 I C 0.875 177.088 176.117 0.161 0.000 1.221 471 I CA 0.032 61.387 61.300 0.093 0.000 1.458 471 I CB 0.385 38.452 38.000 0.112 0.000 1.105 471 I HN 0.417 nan 8.210 nan 0.000 0.445 472 G N 1.005 109.876 108.800 0.118 0.000 2.735 472 G HA2 0.613 4.572 3.960 -0.001 0.000 0.301 472 G HA3 0.613 4.572 3.960 -0.001 0.000 0.301 472 G C -2.940 171.773 174.900 -0.312 0.000 1.279 472 G CA -1.616 43.442 45.100 -0.070 0.000 1.019 472 G HN -0.062 nan 8.290 nan 0.000 0.497 473 P HA 0.129 nan 4.420 nan 0.000 0.269 473 P C -0.444 176.783 177.300 -0.122 0.000 1.217 473 P CA -0.057 62.854 63.100 -0.316 0.000 0.783 473 P CB 0.607 32.164 31.700 -0.238 0.000 0.898 474 K N 2.097 122.445 120.400 -0.087 0.000 2.222 474 K HA 0.156 4.475 4.320 -0.001 0.000 0.243 474 K C -0.105 176.479 176.600 -0.027 0.000 1.160 474 K CA -0.245 56.021 56.287 -0.035 0.000 1.090 474 K CB -0.569 31.912 32.500 -0.032 0.000 1.694 474 K HN 0.507 nan 8.250 nan 0.000 0.361 475 T N -0.546 113.998 114.554 -0.017 0.000 2.766 475 T HA -0.018 4.332 4.350 -0.001 0.000 0.295 475 T C 0.394 175.101 174.700 0.012 0.000 1.024 475 T CA -0.751 61.343 62.100 -0.010 0.000 1.018 475 T CB 0.884 69.741 68.868 -0.018 0.000 1.002 475 T HN 0.586 nan 8.240 nan 0.000 0.532 476 Q N 1.161 120.974 119.800 0.021 0.000 2.310 476 Q HA -0.093 4.246 4.340 -0.001 0.000 0.315 476 Q C -0.300 175.755 176.000 0.090 0.000 1.081 476 Q CA -0.143 55.689 55.803 0.048 0.000 0.981 476 Q CB 0.221 28.993 28.738 0.057 0.000 1.184 476 Q HN 0.550 nan 8.270 nan 0.000 0.389 477 N N 4.325 123.077 118.700 0.087 0.000 2.447 477 N HA -0.076 4.663 4.740 -0.001 0.000 0.263 477 N C 0.292 175.932 175.510 0.218 0.000 1.226 477 N CA 0.306 53.429 53.050 0.122 0.000 0.906 477 N CB 0.229 38.757 38.487 0.068 0.000 1.060 477 N HN 0.668 nan 8.380 nan 0.000 0.468 478 F N 2.648 122.658 119.950 0.099 0.000 2.126 478 F HA -0.263 4.264 4.527 -0.001 0.000 0.299 478 F C 1.623 177.514 175.800 0.152 0.000 1.096 478 F CA 1.371 59.474 58.000 0.172 0.000 1.255 478 F CB 0.401 39.515 39.000 0.190 0.000 0.997 478 F HN 0.501 nan 8.300 nan 0.000 0.479 479 E N 0.393 120.617 120.200 0.039 0.000 2.160 479 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 479 E C 1.619 178.178 176.600 -0.068 0.000 0.991 479 E CA 1.743 58.087 56.400 -0.093 0.000 0.810 479 E CB -0.250 29.440 29.700 -0.016 0.000 0.742 479 E HN 0.582 nan 8.360 nan 0.000 0.466 480 E N -0.293 119.913 120.200 0.010 0.000 2.479 480 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 480 E C -0.021 176.618 176.600 0.064 0.000 1.049 480 E CA -0.182 56.235 56.400 0.028 0.000 0.870 480 E CB 0.153 29.875 29.700 0.038 0.000 0.944 480 E HN 0.256 nan 8.360 nan 0.000 0.492 481 M N 0.949 120.613 119.600 0.106 0.000 2.219 481 M HA 0.079 4.558 4.480 -0.001 0.000 0.353 481 M C 0.810 177.274 176.300 0.273 0.000 1.304 481 M CA 0.779 56.206 55.300 0.212 0.000 1.115 481 M CB 0.732 33.574 32.600 0.404 0.000 1.664 481 M HN -0.136 nan 8.290 nan 0.000 0.459 482 K N 0.538 121.066 120.400 0.212 0.000 2.380 482 K HA 0.130 4.450 4.320 -0.001 0.000 0.198 482 K C 0.042 176.757 176.600 0.192 0.000 1.070 482 K CA 0.034 56.454 56.287 0.221 0.000 1.040 482 K CB 0.700 33.265 32.500 0.107 0.000 0.903 482 K HN 0.763 nan 8.250 nan 0.000 0.549 483 S N -1.165 114.475 115.700 -0.099 0.000 2.588 483 S HA 0.267 4.737 4.470 -0.001 0.000 0.275 483 S C 0.174 174.150 174.600 -1.040 0.000 1.130 483 S CA -0.877 57.076 58.200 -0.411 0.000 0.855 483 S CB 0.973 64.087 63.200 -0.144 0.000 1.116 483 S HN 0.076 nan 8.310 nan 0.000 0.472 484 F N 1.953 121.214 119.950 -1.148 0.000 2.269 484 F HA 0.032 4.558 4.527 -0.001 0.000 0.301 484 F C 1.242 176.892 175.800 -0.250 0.000 1.082 484 F CA 1.622 59.137 58.000 -0.809 0.000 1.360 484 F CB -0.721 38.099 39.000 -0.300 0.000 1.041 484 F HN 0.741 nan 8.300 nan 0.000 0.512 485 D N 0.043 120.300 120.400 -0.240 0.000 2.144 485 D HA -0.187 4.452 4.640 -0.001 0.000 0.199 485 D C 2.015 178.212 176.300 -0.170 0.000 0.984 485 D CA 1.638 55.521 54.000 -0.195 0.000 0.834 485 D CB -0.300 40.452 40.800 -0.080 0.000 0.955 485 D HN 0.439 nan 8.370 nan 0.000 0.465 486 E N -0.514 119.604 120.200 -0.137 0.000 2.153 486 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 486 E C 1.620 178.216 176.600 -0.007 0.000 0.988 486 E CA 0.402 56.773 56.400 -0.048 0.000 0.811 486 E CB -0.122 29.580 29.700 0.003 0.000 0.746 486 E HN 0.315 nan 8.360 nan 0.000 0.466 487 F N 0.975 120.820 119.950 -0.176 0.000 2.113 487 F HA -0.179 4.347 4.527 -0.001 0.000 0.297 487 F C 2.158 177.855 175.800 -0.171 0.000 1.103 487 F CA 1.102 59.050 58.000 -0.086 0.000 1.248 487 F CB 0.065 39.046 39.000 -0.031 0.000 0.999 487 F HN -0.057 nan 8.300 nan 0.000 0.475 488 M N 0.512 119.979 119.600 -0.222 0.000 2.213 488 M HA -0.190 4.289 4.480 -0.001 0.000 0.263 488 M C 1.945 178.218 176.300 -0.046 0.000 1.062 488 M CA 1.553 56.752 55.300 -0.168 0.000 1.105 488 M CB -1.164 31.277 32.600 -0.265 0.000 1.385 488 M HN 0.168 nan 8.290 nan 0.000 0.417 489 K N -0.200 120.151 120.400 -0.082 0.000 2.097 489 K HA -0.008 4.311 4.320 -0.001 0.000 0.205 489 K C 2.112 178.677 176.600 -0.059 0.000 1.050 489 K CA 1.324 57.581 56.287 -0.051 0.000 0.938 489 K CB -0.192 32.281 32.500 -0.046 0.000 0.718 489 K HN 0.277 nan 8.250 nan 0.000 0.442 490 A N 1.016 123.774 122.820 -0.104 0.000 1.898 490 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 490 A C 2.084 179.599 177.584 -0.115 0.000 1.181 490 A CA 1.189 53.154 52.037 -0.119 0.000 0.620 490 A CB -0.757 18.139 19.000 -0.174 0.000 0.819 490 A HN 0.403 nan 8.150 nan 0.000 0.442 491 Y N 0.811 120.910 120.300 -0.335 0.000 2.128 491 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 491 Y C 2.329 178.184 175.900 -0.075 0.000 1.154 491 Y CA 2.444 60.395 58.100 -0.248 0.000 1.149 491 Y CB -0.300 37.992 38.460 -0.280 0.000 0.976 491 Y HN 0.314 nan 8.280 nan 0.000 0.505 492 K N 0.039 120.374 120.400 -0.108 0.000 2.057 492 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 492 K C 2.231 178.771 176.600 -0.101 0.000 1.049 492 K CA 1.175 57.371 56.287 -0.152 0.000 0.931 492 K CB -0.408 32.066 32.500 -0.045 0.000 0.714 492 K HN 0.402 nan 8.250 nan 0.000 0.440 493 A N 1.105 123.890 122.820 -0.058 0.000 1.902 493 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 493 A C 2.083 179.683 177.584 0.026 0.000 1.181 493 A CA 1.235 53.260 52.037 -0.020 0.000 0.623 493 A CB -0.453 18.533 19.000 -0.024 0.000 0.818 493 A HN 0.357 nan 8.150 nan 0.000 0.443 494 Q N -1.321 118.497 119.800 0.030 0.000 2.050 494 Q HA -0.198 4.141 4.340 -0.001 0.000 0.202 494 Q C 2.077 178.244 176.000 0.278 0.000 0.980 494 Q CA 1.839 57.743 55.803 0.168 0.000 0.840 494 Q CB -0.523 28.302 28.738 0.145 0.000 0.898 494 Q HN 0.687 nan 8.270 nan 0.000 0.424 495 M N 1.092 120.741 119.600 0.082 0.000 2.108 495 M HA -0.196 4.283 4.480 -0.001 0.000 0.261 495 M C 1.907 178.269 176.300 0.103 0.000 1.066 495 M CA 1.712 57.072 55.300 0.100 0.000 1.107 495 M CB -0.218 32.276 32.600 -0.178 0.000 1.356 495 M HN 0.227 nan 8.290 nan 0.000 0.406 496 E N -1.450 118.773 120.200 0.039 0.000 2.058 496 E HA -0.273 4.076 4.350 -0.001 0.000 0.194 496 E C 1.994 178.619 176.600 0.042 0.000 0.997 496 E CA 1.650 58.062 56.400 0.019 0.000 0.801 496 E CB -0.412 29.292 29.700 0.006 0.000 0.746 496 E HN 0.657 nan 8.360 nan 0.000 0.450 497 Y N 0.069 120.342 120.300 -0.045 0.000 2.070 497 Y HA -0.262 4.287 4.550 -0.001 0.000 0.280 497 Y C 1.854 177.687 175.900 -0.112 0.000 1.148 497 Y CA 2.160 60.175 58.100 -0.140 0.000 1.125 497 Y CB -0.531 37.749 38.460 -0.300 0.000 0.975 497 Y HN 0.067 nan 8.280 nan 0.000 0.492 498 F N -1.399 118.692 119.950 0.235 0.000 2.259 498 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 498 F C 2.361 178.209 175.800 0.080 0.000 1.088 498 F CA 1.137 59.308 58.000 0.285 0.000 1.358 498 F CB -0.906 38.411 39.000 0.528 0.000 1.040 498 F HN -0.130 nan 8.300 nan 0.000 0.505 499 V N 0.214 120.177 119.914 0.081 0.000 2.515 499 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 499 V C 2.526 178.280 176.094 -0.567 0.000 1.058 499 V CA 1.647 63.756 62.300 -0.318 0.000 1.064 499 V CB -0.508 31.072 31.823 -0.404 0.000 0.675 499 V HN 0.271 nan 8.190 nan 0.000 0.461 500 K N -0.551 119.570 120.400 -0.464 0.000 2.002 500 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 500 K C 2.202 178.392 176.600 -0.683 0.000 1.048 500 K CA 1.758 57.673 56.287 -0.619 0.000 0.930 500 K CB -0.271 31.987 32.500 -0.403 0.000 0.714 500 K HN 0.516 nan 8.250 nan 0.000 0.438 501 H N 0.244 119.071 119.070 -0.405 0.000 2.423 501 H HA -0.102 4.453 4.556 -0.001 0.000 0.297 501 H C 2.054 177.231 175.328 -0.251 0.000 1.075 501 H CA 1.523 57.421 56.048 -0.251 0.000 1.342 501 H CB -0.087 29.588 29.762 -0.145 0.000 1.395 501 H HN 0.357 nan 8.280 nan 0.000 0.530 502 M N 0.005 119.289 119.600 -0.527 0.000 2.086 502 M HA -0.164 4.315 4.480 -0.001 0.000 0.261 502 M C 2.236 178.310 176.300 -0.375 0.000 1.067 502 M CA 1.564 56.352 55.300 -0.855 0.000 1.116 502 M CB -0.156 31.715 32.600 -1.215 0.000 1.348 502 M HN 0.187 nan 8.290 nan 0.000 0.407 503 C N -0.102 118.870 119.300 -0.546 0.000 2.466 503 C HA -0.108 4.352 4.460 -0.001 0.000 0.278 503 C C 2.844 177.652 174.990 -0.303 0.000 1.288 503 C CA 0.620 59.298 59.018 -0.566 0.000 1.722 503 C CB -1.336 25.494 27.740 -1.517 0.000 2.017 503 C HN 0.744 nan 8.230 nan 0.000 0.488 504 C N 1.028 120.133 119.300 -0.324 0.000 2.440 504 C HA -0.015 4.445 4.460 -0.001 0.000 0.278 504 C C 3.115 178.120 174.990 0.026 0.000 1.295 504 C CA 1.095 60.040 59.018 -0.123 0.000 1.738 504 C CB -1.530 26.130 27.740 -0.132 0.000 1.987 504 C HN 0.701 nan 8.230 nan 0.000 0.492 505 A N 0.772 123.630 122.820 0.062 0.000 1.902 505 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 505 A C 1.848 179.570 177.584 0.229 0.000 1.181 505 A CA 2.188 54.329 52.037 0.174 0.000 0.623 505 A CB -0.646 18.497 19.000 0.239 0.000 0.818 505 A HN 0.507 nan 8.150 nan 0.000 0.443 506 D N 0.124 120.669 120.400 0.242 0.000 2.123 506 D HA -0.135 4.505 4.640 -0.001 0.000 0.196 506 D C 1.660 178.187 176.300 0.378 0.000 0.992 506 D CA 1.218 55.468 54.000 0.417 0.000 0.833 506 D CB -0.318 40.782 40.800 0.501 0.000 0.954 506 D HN 0.370 nan 8.370 nan 0.000 0.455 507 N N -0.116 118.720 118.700 0.228 0.000 2.223 507 N HA -0.110 4.629 4.740 -0.001 0.000 0.185 507 N C 1.939 177.487 175.510 0.062 0.000 1.016 507 N CA 0.463 53.567 53.050 0.089 0.000 0.863 507 N CB -0.557 37.961 38.487 0.052 0.000 0.983 507 N HN 0.254 nan 8.380 nan 0.000 0.429 508 C N 0.660 120.035 119.300 0.124 0.000 2.440 508 C HA 0.070 4.529 4.460 -0.001 0.000 0.278 508 C C 2.706 177.832 174.990 0.226 0.000 1.295 508 C CA -0.004 59.095 59.018 0.136 0.000 1.738 508 C CB -0.945 26.927 27.740 0.220 0.000 1.987 508 C HN 0.399 nan 8.230 nan 0.000 0.492 509 I N 0.515 121.285 120.570 0.333 0.000 2.315 509 I HA -0.162 4.008 4.170 -0.001 0.000 0.248 509 I C 2.425 178.863 176.117 0.536 0.000 1.117 509 I CA 1.375 62.941 61.300 0.444 0.000 1.404 509 I CB -0.604 37.726 38.000 0.550 0.000 1.071 509 I HN 0.358 nan 8.210 nan 0.000 0.419 510 D N 1.543 122.198 120.400 0.425 0.000 2.092 510 D HA -0.179 4.460 4.640 -0.001 0.000 0.193 510 D C 2.257 178.615 176.300 0.097 0.000 0.994 510 D CA 1.575 55.627 54.000 0.086 0.000 0.828 510 D CB -0.018 40.510 40.800 -0.454 0.000 0.963 510 D HN 0.281 nan 8.370 nan 0.000 0.450 511 I N 0.970 121.547 120.570 0.011 0.000 2.208 511 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 511 I C 2.609 178.781 176.117 0.093 0.000 1.097 511 I CA 1.028 62.299 61.300 -0.050 0.000 1.363 511 I CB -0.261 37.555 38.000 -0.305 0.000 1.051 511 I HN -0.029 nan 8.210 nan 0.000 0.413 512 A N 0.239 123.172 122.820 0.189 0.000 1.865 512 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 512 A C 2.255 179.930 177.584 0.151 0.000 1.191 512 A CA 1.663 53.827 52.037 0.212 0.000 0.623 512 A CB -1.019 18.083 19.000 0.170 0.000 0.826 512 A HN 0.416 nan 8.150 nan 0.000 0.444 513 H N -0.579 118.618 119.070 0.212 0.000 2.352 513 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 513 H C 2.542 177.974 175.328 0.174 0.000 1.097 513 H CA 1.585 57.763 56.048 0.217 0.000 1.311 513 H CB -0.337 29.564 29.762 0.230 0.000 1.377 513 H HN 0.532 nan 8.280 nan 0.000 0.504 514 A N 0.694 123.657 122.820 0.239 0.000 1.930 514 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 514 A C 2.323 179.987 177.584 0.133 0.000 1.175 514 A CA 1.630 53.751 52.037 0.140 0.000 0.627 514 A CB -0.300 18.730 19.000 0.051 0.000 0.815 514 A HN 0.462 nan 8.150 nan 0.000 0.443 515 E N -1.024 119.263 120.200 0.144 0.000 2.216 515 E HA -0.042 4.307 4.350 -0.001 0.000 0.192 515 E C 1.821 178.514 176.600 0.156 0.000 0.988 515 E CA 0.668 57.155 56.400 0.145 0.000 0.834 515 E CB 0.085 29.895 29.700 0.184 0.000 0.772 515 E HN 0.563 nan 8.360 nan 0.000 0.479 516 R N -1.622 118.982 120.500 0.175 0.000 2.517 516 R HA 0.312 4.651 4.340 -0.001 0.000 0.265 516 R C -0.000 176.444 176.300 0.241 0.000 0.921 516 R CA 0.524 56.742 56.100 0.197 0.000 1.054 516 R CB 1.506 31.909 30.300 0.171 0.000 1.340 516 R HN -0.074 nan 8.270 nan 0.000 0.551 517 A N 2.156 125.131 122.820 0.260 0.000 2.992 517 A HA 0.314 4.633 4.320 -0.001 0.000 0.263 517 A C -2.582 175.194 177.584 0.320 0.000 0.928 517 A CA -1.102 51.131 52.037 0.327 0.000 1.061 517 A CB 0.284 19.569 19.000 0.475 0.000 1.173 517 A HN -0.115 nan 8.150 nan 0.000 0.482 518 P HA 0.267 nan 4.420 nan 0.000 0.276 518 P C -0.532 176.911 177.300 0.237 0.000 1.235 518 P CA 0.235 63.467 63.100 0.219 0.000 0.772 518 P CB 1.065 32.876 31.700 0.184 0.000 0.871 519 L N 6.433 127.792 121.223 0.227 0.000 2.259 519 L HA 0.248 4.587 4.340 -0.001 0.000 0.288 519 L C -1.437 175.572 176.870 0.231 0.000 1.051 519 L CA -2.054 52.918 54.840 0.221 0.000 0.824 519 L CB 1.337 43.510 42.059 0.191 0.000 1.206 519 L HN 0.176 nan 8.230 nan 0.000 0.429 520 P HA -0.162 nan 4.420 nan 0.000 0.216 520 P C 1.436 178.780 177.300 0.074 0.000 1.153 520 P CA 1.066 64.212 63.100 0.076 0.000 0.844 520 P CB 0.210 31.910 31.700 -0.000 0.000 0.787 521 F N -0.110 119.834 119.950 -0.011 0.000 2.098 521 F HA -0.090 4.436 4.527 -0.000 0.000 0.294 521 F C 2.074 177.876 175.800 0.003 0.000 1.107 521 F CA 0.799 58.782 58.000 -0.028 0.000 1.234 521 F CB -0.700 38.267 39.000 -0.054 0.000 1.002 521 F HN -0.264 nan 8.300 nan 0.000 0.472 522 L N 0.088 121.283 121.223 -0.045 0.000 2.017 522 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 522 L C 2.406 179.201 176.870 -0.125 0.000 1.073 522 L CA 2.063 56.816 54.840 -0.145 0.000 0.745 522 L CB -0.997 41.060 42.059 -0.003 0.000 0.894 522 L HN 0.089 nan 8.230 nan 0.000 0.432 523 S N -0.674 115.032 115.700 0.010 0.000 2.400 523 S HA -0.186 4.283 4.470 -0.001 0.000 0.232 523 S C 2.024 176.665 174.600 0.069 0.000 1.025 523 S CA 1.296 59.550 58.200 0.090 0.000 0.993 523 S CB -0.616 62.757 63.200 0.289 0.000 0.808 523 S HN 0.778 nan 8.310 nan 0.000 0.478 524 S N 1.155 116.843 115.700 -0.021 0.000 2.469 524 S HA 0.056 4.525 4.470 -0.001 0.000 0.238 524 S C 1.303 175.845 174.600 -0.096 0.000 0.998 524 S CA 0.731 58.899 58.200 -0.053 0.000 0.957 524 S CB -0.455 62.672 63.200 -0.122 0.000 0.764 524 S HN 0.494 nan 8.310 nan 0.000 0.514 525 M N 1.442 120.942 119.600 -0.167 0.000 2.475 525 M HA 0.350 4.829 4.480 -0.001 0.000 0.283 525 M C -0.998 175.232 176.300 -0.116 0.000 1.165 525 M CA -0.065 55.130 55.300 -0.174 0.000 0.976 525 M CB 1.197 33.618 32.600 -0.298 0.000 1.428 525 M HN 0.051 nan 8.290 nan 0.000 0.495 526 V N 0.132 120.009 119.914 -0.061 0.000 2.531 526 V HA 0.276 4.395 4.120 -0.001 0.000 0.301 526 V C -0.471 175.618 176.094 -0.009 0.000 1.034 526 V CA -1.140 61.145 62.300 -0.026 0.000 0.865 526 V CB 1.927 33.741 31.823 -0.014 0.000 0.995 526 V HN 0.078 nan 8.190 nan 0.000 0.424 527 D N 3.801 124.200 120.400 -0.002 0.000 2.525 527 D HA 0.119 4.759 4.640 -0.001 0.000 0.235 527 D C 0.814 177.093 176.300 -0.035 0.000 1.137 527 D CA 1.344 55.337 54.000 -0.011 0.000 0.868 527 D CB 0.294 41.089 40.800 -0.008 0.000 1.180 527 D HN 0.722 nan 8.370 nan 0.000 0.465 528 N N 0.232 118.914 118.700 -0.030 0.000 2.938 528 N HA -0.209 4.530 4.740 -0.001 0.000 0.195 528 N C 1.077 176.566 175.510 -0.035 0.000 0.990 528 N CA 1.147 54.169 53.050 -0.046 0.000 1.020 528 N CB -1.469 36.963 38.487 -0.091 0.000 0.986 528 N HN 0.439 nan 8.380 nan 0.000 0.575 529 C N 0.942 120.235 119.300 -0.011 0.000 2.436 529 C HA 0.049 4.508 4.460 -0.001 0.000 0.277 529 C C 2.610 177.683 174.990 0.139 0.000 1.241 529 C CA 1.075 60.097 59.018 0.006 0.000 1.721 529 C CB -1.178 26.617 27.740 0.092 0.000 2.043 529 C HN 0.485 nan 8.230 nan 0.000 0.472 530 I N 1.012 121.701 120.570 0.198 0.000 2.202 530 I HA -0.096 4.073 4.170 -0.001 0.000 0.242 530 I C 2.739 178.946 176.117 0.150 0.000 1.091 530 I CA 1.788 63.229 61.300 0.234 0.000 1.368 530 I CB -1.025 37.051 38.000 0.126 0.000 1.058 530 I HN 0.460 nan 8.210 nan 0.000 0.410 531 G N 1.037 109.884 108.800 0.079 0.000 2.440 531 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 531 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 531 G C 1.702 176.628 174.900 0.044 0.000 1.154 531 G CA 0.598 45.730 45.100 0.053 0.000 0.767 531 G HN 0.187 nan 8.290 nan 0.000 0.552 532 K N 0.282 120.683 120.400 0.002 0.000 2.365 532 K HA 0.101 4.421 4.320 -0.001 0.000 0.197 532 K C 1.642 178.212 176.600 -0.050 0.000 1.042 532 K CA 0.625 56.885 56.287 -0.045 0.000 0.987 532 K CB -0.162 32.274 32.500 -0.106 0.000 0.779 532 K HN 0.422 nan 8.250 nan 0.000 0.484 533 G N 2.983 111.788 108.800 0.008 0.000 2.246 533 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.273 533 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.273 533 G C -0.335 174.369 174.900 -0.328 0.000 1.055 533 G CA 0.872 46.026 45.100 0.090 0.000 0.851 533 G HN 0.432 nan 8.290 nan 0.000 0.500 534 K N -1.163 118.760 120.400 -0.795 0.000 2.523 534 K HA 0.716 5.036 4.320 -0.001 0.000 0.257 534 K C 0.343 176.228 176.600 -1.192 0.000 0.932 534 K CA -0.302 55.382 56.287 -1.005 0.000 0.812 534 K CB 1.559 33.791 32.500 -0.446 0.000 1.326 534 K HN 0.625 nan 8.250 nan 0.000 0.433 535 S N 1.881 116.962 115.700 -1.031 0.000 2.606 535 S HA 0.032 4.501 4.470 -0.001 0.000 0.257 535 S C 1.188 175.675 174.600 -0.188 0.000 1.327 535 S CA -0.697 57.277 58.200 -0.376 0.000 0.984 535 S CB 0.276 63.478 63.200 0.003 0.000 0.941 535 S HN 0.553 nan 8.310 nan 0.000 0.576 536 L N 0.946 122.137 121.223 -0.053 0.000 2.012 536 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 536 L C 2.775 179.600 176.870 -0.075 0.000 1.073 536 L CA 1.849 56.656 54.840 -0.054 0.000 0.748 536 L CB -1.992 40.064 42.059 -0.006 0.000 0.891 536 L HN 0.735 nan 8.230 nan 0.000 0.431 537 Q N -0.565 119.219 119.800 -0.028 0.000 2.234 537 Q HA -0.146 4.193 4.340 -0.001 0.000 0.206 537 Q C 1.269 177.221 176.000 -0.081 0.000 0.980 537 Q CA 1.202 56.993 55.803 -0.020 0.000 0.869 537 Q CB -0.234 28.550 28.738 0.076 0.000 0.912 537 Q HN 0.474 nan 8.270 nan 0.000 0.436 538 D N -1.625 118.708 120.400 -0.112 0.000 2.368 538 D HA 0.186 4.825 4.640 -0.001 0.000 0.218 538 D C 0.348 176.545 176.300 -0.172 0.000 1.112 538 D CA 0.611 54.526 54.000 -0.142 0.000 0.834 538 D CB 0.602 41.304 40.800 -0.162 0.000 0.953 538 D HN 0.344 nan 8.370 nan 0.000 0.505 539 G N 0.967 109.662 108.800 -0.177 0.000 2.137 539 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.237 539 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.237 539 G C 1.215 176.008 174.900 -0.178 0.000 1.002 539 G CA 0.144 45.135 45.100 -0.183 0.000 0.702 539 G HN 0.440 nan 8.290 nan 0.000 0.515 540 G N 0.269 108.958 108.800 -0.186 0.000 2.471 540 G HA2 0.406 4.365 3.960 -0.001 0.000 0.219 540 G HA3 0.406 4.365 3.960 -0.001 0.000 0.219 540 G C 1.182 176.000 174.900 -0.137 0.000 1.125 540 G CA 1.418 46.410 45.100 -0.180 0.000 0.775 540 G HN 1.831 nan 8.290 nan 0.000 0.548 541 A N 0.311 123.059 122.820 -0.121 0.000 2.483 541 A HA 0.410 4.729 4.320 -0.001 0.000 0.238 541 A C 1.398 178.890 177.584 -0.153 0.000 1.070 541 A CA 0.611 52.590 52.037 -0.098 0.000 0.770 541 A CB 0.504 19.471 19.000 -0.055 0.000 1.008 541 A HN 0.265 nan 8.150 nan 0.000 0.497 542 E N 0.976 121.062 120.200 -0.189 0.000 2.051 542 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 542 E C -0.461 175.848 176.600 -0.485 0.000 0.991 542 E CA 1.596 57.766 56.400 -0.383 0.000 0.799 542 E CB -0.247 29.144 29.700 -0.514 0.000 0.748 542 E HN 0.678 nan 8.360 nan 0.000 0.449 543 Y N 0.254 120.508 120.300 -0.076 0.000 2.352 543 Y HA 0.486 5.036 4.550 0.001 0.000 0.339 543 Y C -0.145 175.581 175.900 -0.290 0.000 0.992 543 Y CA -1.164 56.836 58.100 -0.166 0.000 1.100 543 Y CB 1.546 40.038 38.460 0.053 0.000 1.192 543 Y HN -0.137 nan 8.280 nan 0.000 0.458 544 N N 3.665 122.083 118.700 -0.470 0.000 2.295 544 N HA 0.537 5.276 4.740 -0.001 0.000 0.293 544 N C -1.576 173.401 175.510 -0.888 0.000 1.040 544 N CA -0.438 52.316 53.050 -0.494 0.000 0.840 544 N CB 2.141 40.413 38.487 -0.358 0.000 1.468 544 N HN 0.504 nan 8.380 nan 0.000 0.478 545 F N -0.392 119.472 119.950 -0.143 0.000 2.715 545 F HA 0.481 5.007 4.527 -0.000 0.000 0.318 545 F C -0.051 175.553 175.800 -0.326 0.000 1.141 545 F CA -0.666 57.223 58.000 -0.186 0.000 0.950 545 F CB 1.922 40.858 39.000 -0.106 0.000 1.374 545 F HN 0.115 nan 8.300 nan 0.000 0.477 546 S N -0.339 115.236 115.700 -0.208 0.000 2.614 546 S HA 0.662 5.131 4.470 -0.001 0.000 0.275 546 S C -0.748 173.674 174.600 -0.298 0.000 1.161 546 S CA -0.785 57.136 58.200 -0.465 0.000 0.969 546 S CB 1.808 64.087 63.200 -1.535 0.000 1.059 546 S HN 0.971 nan 8.310 nan 0.000 0.482 547 G N 4.061 112.817 108.800 -0.074 0.000 2.814 547 G HA2 0.601 4.560 3.960 -0.001 0.000 0.300 547 G HA3 0.601 4.560 3.960 -0.001 0.000 0.300 547 G C -3.213 171.674 174.900 -0.023 0.000 1.406 547 G CA -1.538 43.564 45.100 0.002 0.000 1.041 547 G HN 0.368 nan 8.290 nan 0.000 0.532 548 P HA 0.370 nan 4.420 nan 0.000 0.292 548 P C -0.989 176.325 177.300 0.024 0.000 1.283 548 P CA -0.574 62.522 63.100 -0.007 0.000 0.835 548 P CB 2.476 34.233 31.700 0.095 0.000 1.017 549 Q N 0.862 120.584 119.800 -0.130 0.000 2.230 549 Q HA 0.618 4.957 4.340 -0.001 0.000 0.253 549 Q C 0.487 176.483 176.000 -0.006 0.000 0.919 549 Q CA -0.212 55.503 55.803 -0.147 0.000 0.908 549 Q CB 1.004 29.427 28.738 -0.526 0.000 1.245 549 Q HN 0.569 nan 8.270 nan 0.000 0.437 550 G N 0.308 109.019 108.800 -0.148 0.000 2.348 550 G HA2 0.587 4.546 3.960 -0.001 0.000 0.312 550 G HA3 0.587 4.546 3.960 -0.001 0.000 0.312 550 G C -1.122 173.734 174.900 -0.073 0.000 1.126 550 G CA -0.380 44.467 45.100 -0.422 0.000 0.865 550 G HN 0.382 nan 8.290 nan 0.000 0.474 551 V N 1.151 121.084 119.914 0.032 0.000 2.577 551 V HA 0.788 4.908 4.120 -0.001 0.000 0.303 551 V C 0.727 176.866 176.094 0.074 0.000 1.042 551 V CA 0.388 62.749 62.300 0.101 0.000 0.872 551 V CB 1.254 33.212 31.823 0.226 0.000 0.998 551 V HN 1.725 nan 8.190 nan 0.000 0.423 552 G N 3.298 112.130 108.800 0.054 0.000 2.181 552 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.152 552 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.152 552 G C 0.310 175.217 174.900 0.012 0.000 1.026 552 G CA 0.002 45.125 45.100 0.038 0.000 0.699 552 G HN 0.617 nan 8.290 nan 0.000 0.497 553 V N 0.619 120.530 119.914 -0.004 0.000 2.252 553 V HA -0.154 3.966 4.120 -0.001 0.000 0.249 553 V C 3.269 179.267 176.094 -0.159 0.000 1.056 553 V CA 3.361 65.615 62.300 -0.076 0.000 1.022 553 V CB -1.108 30.663 31.823 -0.086 0.000 0.641 553 V HN 1.060 nan 8.190 nan 0.000 0.445 554 A N 0.448 123.215 122.820 -0.087 0.000 1.933 554 A HA -0.270 4.049 4.320 -0.001 0.000 0.218 554 A C 1.987 179.569 177.584 -0.003 0.000 1.175 554 A CA 2.377 54.390 52.037 -0.040 0.000 0.628 554 A CB -0.885 18.262 19.000 0.247 0.000 0.814 554 A HN 0.692 nan 8.150 nan 0.000 0.444 555 N N -0.288 118.424 118.700 0.021 0.000 2.166 555 N HA -0.110 4.629 4.740 -0.001 0.000 0.186 555 N C 1.321 176.839 175.510 0.013 0.000 1.019 555 N CA 1.479 54.547 53.050 0.030 0.000 0.856 555 N CB -0.296 38.210 38.487 0.033 0.000 0.993 555 N HN 0.394 nan 8.380 nan 0.000 0.426 556 I N 0.485 121.052 120.570 -0.004 0.000 2.252 556 I HA -0.065 4.104 4.170 -0.001 0.000 0.245 556 I C 2.337 178.435 176.117 -0.033 0.000 1.102 556 I CA 0.977 62.278 61.300 0.003 0.000 1.385 556 I CB -1.158 36.868 38.000 0.043 0.000 1.064 556 I HN 0.181 nan 8.210 nan 0.000 0.414 557 G N -0.079 108.667 108.800 -0.090 0.000 2.433 557 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 557 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 557 G C 1.384 176.273 174.900 -0.019 0.000 1.186 557 G CA 0.883 45.927 45.100 -0.093 0.000 0.779 557 G HN 0.304 nan 8.290 nan 0.000 0.543 558 D N 0.606 121.012 120.400 0.010 0.000 2.144 558 D HA -0.052 4.588 4.640 -0.001 0.000 0.199 558 D C 2.835 179.145 176.300 0.017 0.000 0.984 558 D CA 1.111 55.134 54.000 0.038 0.000 0.834 558 D CB -0.269 40.570 40.800 0.064 0.000 0.955 558 D HN 0.241 nan 8.370 nan 0.000 0.465 559 S N 0.271 115.981 115.700 0.017 0.000 2.355 559 S HA -0.037 4.432 4.470 -0.001 0.000 0.222 559 S C 2.197 176.794 174.600 -0.004 0.000 1.031 559 S CA 0.462 58.673 58.200 0.018 0.000 0.993 559 S CB -0.146 63.077 63.200 0.037 0.000 0.859 559 S HN 0.236 nan 8.310 nan 0.000 0.453 560 L N 0.684 121.914 121.223 0.012 0.000 2.017 560 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 560 L C 2.472 179.304 176.870 -0.064 0.000 1.073 560 L CA 0.944 55.823 54.840 0.065 0.000 0.745 560 L CB -0.663 41.483 42.059 0.145 0.000 0.894 560 L HN 0.215 nan 8.230 nan 0.000 0.432 561 V N 0.026 119.893 119.914 -0.077 0.000 2.407 561 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 561 V C 2.608 178.615 176.094 -0.146 0.000 1.055 561 V CA 1.828 64.043 62.300 -0.142 0.000 1.049 561 V CB -0.081 31.706 31.823 -0.059 0.000 0.662 561 V HN 0.446 nan 8.190 nan 0.000 0.455 562 A N -0.790 121.978 122.820 -0.087 0.000 1.898 562 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 562 A C 2.329 179.856 177.584 -0.096 0.000 1.181 562 A CA 1.952 53.947 52.037 -0.071 0.000 0.620 562 A CB -0.701 18.281 19.000 -0.030 0.000 0.819 562 A HN 0.389 nan 8.150 nan 0.000 0.442 563 V N 0.481 120.327 119.914 -0.113 0.000 2.295 563 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 563 V C 2.573 178.624 176.094 -0.072 0.000 1.049 563 V CA 2.479 64.710 62.300 -0.116 0.000 1.024 563 V CB -0.658 30.999 31.823 -0.276 0.000 0.648 563 V HN 0.723 nan 8.190 nan 0.000 0.447 564 K N 0.127 120.362 120.400 -0.275 0.000 2.002 564 K HA -0.231 4.088 4.320 -0.001 0.000 0.209 564 K C 2.241 178.737 176.600 -0.174 0.000 1.048 564 K CA 1.810 57.819 56.287 -0.463 0.000 0.930 564 K CB -0.143 31.605 32.500 -1.253 0.000 0.714 564 K HN 0.393 nan 8.250 nan 0.000 0.438 565 K N 0.309 120.602 120.400 -0.179 0.000 1.967 565 K HA -0.072 4.248 4.320 -0.001 0.000 0.212 565 K C 2.176 178.731 176.600 -0.076 0.000 1.044 565 K CA 1.412 57.637 56.287 -0.103 0.000 0.942 565 K CB -0.192 32.254 32.500 -0.091 0.000 0.726 565 K HN 0.135 nan 8.250 nan 0.000 0.440 566 I N 1.198 121.719 120.570 -0.082 0.000 2.208 566 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 566 I C 2.319 178.369 176.117 -0.111 0.000 1.097 566 I CA 1.475 62.728 61.300 -0.078 0.000 1.363 566 I CB -1.000 36.963 38.000 -0.063 0.000 1.051 566 I HN -0.021 nan 8.210 nan 0.000 0.413 567 V N -0.436 119.373 119.914 -0.176 0.000 2.403 567 V HA -0.064 4.055 4.120 -0.001 0.000 0.239 567 V C 2.178 178.037 176.094 -0.391 0.000 1.041 567 V CA 1.156 63.251 62.300 -0.343 0.000 1.051 567 V CB -0.645 30.844 31.823 -0.555 0.000 0.704 567 V HN 0.103 nan 8.190 nan 0.000 0.472 568 F N 0.380 120.316 119.950 -0.023 0.000 2.270 568 F HA 0.011 4.537 4.527 -0.001 0.000 0.295 568 F C 2.244 178.034 175.800 -0.018 0.000 1.087 568 F CA 0.996 58.996 58.000 -0.000 0.000 1.365 568 F CB -0.117 38.919 39.000 0.060 0.000 1.056 568 F HN 0.158 nan 8.300 nan 0.000 0.506 569 D N 0.156 120.621 120.400 0.109 0.000 2.144 569 D HA -0.073 4.567 4.640 -0.001 0.000 0.207 569 D C 1.671 177.981 176.300 0.017 0.000 0.970 569 D CA 1.200 55.229 54.000 0.049 0.000 0.853 569 D CB -0.346 40.456 40.800 0.002 0.000 1.007 569 D HN 0.356 nan 8.370 nan 0.000 0.469 570 E N 0.435 120.628 120.200 -0.011 0.000 2.472 570 E HA 0.076 4.426 4.350 -0.001 0.000 0.196 570 E C -0.163 176.419 176.600 -0.030 0.000 1.033 570 E CA -0.169 56.219 56.400 -0.020 0.000 0.886 570 E CB 0.159 29.842 29.700 -0.028 0.000 0.944 570 E HN 0.100 nan 8.360 nan 0.000 0.492 571 N N 1.505 120.178 118.700 -0.046 0.000 2.708 571 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 571 N C 0.645 176.117 175.510 -0.063 0.000 1.097 571 N CA 0.626 53.637 53.050 -0.065 0.000 0.710 571 N CB -0.547 37.917 38.487 -0.037 0.000 1.032 571 N HN 0.189 nan 8.380 nan 0.000 0.551 572 K N 0.355 120.717 120.400 -0.063 0.000 2.097 572 K HA 0.021 4.341 4.320 -0.001 0.000 0.206 572 K C 1.454 178.022 176.600 -0.053 0.000 1.049 572 K CA 1.215 57.472 56.287 -0.050 0.000 0.933 572 K CB 0.125 32.598 32.500 -0.045 0.000 0.717 572 K HN 0.715 nan 8.250 nan 0.000 0.442 573 I N -2.798 117.727 120.570 -0.075 0.000 2.994 573 I HA 0.293 4.462 4.170 -0.001 0.000 0.306 573 I C -0.157 175.884 176.117 -0.127 0.000 1.195 573 I CA -1.125 60.130 61.300 -0.074 0.000 1.001 573 I CB 2.242 40.216 38.000 -0.044 0.000 1.244 573 I HN -0.148 nan 8.210 nan 0.000 0.437 574 T N -0.251 114.230 114.554 -0.122 0.000 2.874 574 T HA 0.472 4.821 4.350 -0.001 0.000 0.281 574 T C -2.064 172.488 174.700 -0.247 0.000 0.994 574 T CA -1.628 60.361 62.100 -0.185 0.000 1.015 574 T CB 1.348 70.136 68.868 -0.134 0.000 1.028 574 T HN 0.480 nan 8.240 nan 0.000 0.523 575 P HA -0.083 nan 4.420 nan 0.000 0.215 575 P C 1.852 178.981 177.300 -0.285 0.000 1.157 575 P CA 1.136 63.782 63.100 -0.756 0.000 0.868 575 P CB -0.136 30.799 31.700 -1.275 0.000 0.788 576 S N -0.251 115.339 115.700 -0.184 0.000 2.365 576 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 576 S C 1.796 176.403 174.600 0.012 0.000 1.039 576 S CA 1.504 59.681 58.200 -0.038 0.000 1.033 576 S CB -0.952 62.222 63.200 -0.043 0.000 0.887 576 S HN 0.374 nan 8.310 nan 0.000 0.447 577 E N 0.580 120.770 120.200 -0.016 0.000 2.051 577 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 577 E C 2.149 178.781 176.600 0.052 0.000 0.991 577 E CA 1.024 57.431 56.400 0.011 0.000 0.799 577 E CB -0.290 29.405 29.700 -0.009 0.000 0.748 577 E HN 0.262 nan 8.360 nan 0.000 0.449 578 L N 1.895 123.165 121.223 0.078 0.000 2.012 578 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 578 L C 2.301 179.265 176.870 0.158 0.000 1.073 578 L CA 1.941 56.867 54.840 0.144 0.000 0.748 578 L CB -0.365 41.827 42.059 0.221 0.000 0.891 578 L HN -0.069 nan 8.230 nan 0.000 0.431 579 K N -0.512 120.031 120.400 0.238 0.000 2.063 579 K HA -0.240 4.080 4.320 -0.001 0.000 0.208 579 K C 2.138 178.784 176.600 0.077 0.000 1.048 579 K CA 1.876 58.281 56.287 0.197 0.000 0.928 579 K CB -0.087 32.594 32.500 0.302 0.000 0.713 579 K HN 0.344 nan 8.250 nan 0.000 0.442 580 K N -0.359 120.077 120.400 0.060 0.000 2.057 580 K HA -0.070 4.249 4.320 -0.001 0.000 0.206 580 K C 2.129 178.719 176.600 -0.017 0.000 1.050 580 K CA 1.869 58.169 56.287 0.021 0.000 0.935 580 K CB -0.143 32.371 32.500 0.022 0.000 0.715 580 K HN 0.210 nan 8.250 nan 0.000 0.439 581 T N 2.199 116.749 114.554 -0.007 0.000 2.720 581 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 581 T C 1.900 176.451 174.700 -0.248 0.000 1.037 581 T CA 1.083 63.159 62.100 -0.039 0.000 1.144 581 T CB -0.214 68.707 68.868 0.087 0.000 0.864 581 T HN 0.097 nan 8.240 nan 0.000 0.444 582 L N 1.071 122.149 121.223 -0.241 0.000 2.027 582 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 582 L C 2.544 179.245 176.870 -0.282 0.000 1.074 582 L CA 0.996 55.606 54.840 -0.383 0.000 0.745 582 L CB -0.599 41.347 42.059 -0.189 0.000 0.898 582 L HN 0.201 nan 8.230 nan 0.000 0.433 583 N N 0.149 118.761 118.700 -0.146 0.000 2.381 583 N HA -0.122 4.618 4.740 -0.001 0.000 0.182 583 N C 1.189 176.634 175.510 -0.107 0.000 1.025 583 N CA 0.846 53.835 53.050 -0.101 0.000 0.888 583 N CB -0.279 38.186 38.487 -0.037 0.000 0.965 583 N HN 0.389 nan 8.380 nan 0.000 0.438 584 N N 0.866 119.490 118.700 -0.126 0.000 2.336 584 N HA -0.057 4.682 4.740 -0.001 0.000 0.189 584 N C -0.349 175.084 175.510 -0.128 0.000 1.113 584 N CA 0.168 53.161 53.050 -0.094 0.000 0.858 584 N CB 0.213 38.669 38.487 -0.052 0.000 0.970 584 N HN 0.094 nan 8.380 nan 0.000 0.471 585 D N 0.002 120.245 120.400 -0.261 0.000 2.746 585 D HA -0.247 4.392 4.640 -0.001 0.000 0.236 585 D C -0.587 175.605 176.300 -0.181 0.000 1.129 585 D CA 0.260 54.074 54.000 -0.310 0.000 0.691 585 D CB -1.870 38.862 40.800 -0.114 0.000 1.077 585 D HN 0.318 nan 8.370 nan 0.000 0.432 586 F N -3.060 116.891 119.950 0.001 0.000 3.006 586 F HA -0.332 4.194 4.527 -0.001 0.000 0.289 586 F C 1.250 177.050 175.800 -0.000 0.000 0.772 586 F CA 1.045 59.046 58.000 0.001 0.000 1.162 586 F CB -1.516 37.483 39.000 -0.002 0.000 1.382 586 F HN 0.251 nan 8.300 nan 0.000 0.406 587 K N 2.073 122.533 120.400 0.099 0.000 2.436 587 K HA 0.008 4.328 4.320 -0.001 0.000 0.282 587 K C 0.923 177.562 176.600 0.064 0.000 1.044 587 K CA 0.435 56.763 56.287 0.068 0.000 1.028 587 K CB 0.143 32.659 32.500 0.027 0.000 0.919 587 K HN 0.322 nan 8.250 nan 0.000 0.474 588 N N 1.972 120.708 118.700 0.060 0.000 2.725 588 N HA -0.171 4.568 4.740 -0.001 0.000 0.249 588 N C -1.055 174.486 175.510 0.052 0.000 1.103 588 N CA 1.571 54.648 53.050 0.045 0.000 0.707 588 N CB -1.401 37.104 38.487 0.030 0.000 1.043 588 N HN 0.672 nan 8.380 nan 0.000 0.553 589 S N -2.632 113.116 115.700 0.081 0.000 2.828 589 S HA 0.341 4.810 4.470 -0.001 0.000 0.240 589 S C 0.647 175.299 174.600 0.086 0.000 0.912 589 S CA -0.708 57.544 58.200 0.086 0.000 1.100 589 S CB 0.714 63.980 63.200 0.112 0.000 1.271 589 S HN 0.055 nan 8.310 nan 0.000 0.476 590 E N 2.573 122.798 120.200 0.042 0.000 2.204 590 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 590 E C 2.184 178.756 176.600 -0.047 0.000 0.990 590 E CA 1.401 57.791 56.400 -0.016 0.000 0.821 590 E CB -0.057 29.632 29.700 -0.018 0.000 0.750 590 E HN 0.796 nan 8.360 nan 0.000 0.477 591 E N 1.085 121.274 120.200 -0.018 0.000 2.110 591 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 591 E C 1.972 178.552 176.600 -0.033 0.000 0.988 591 E CA 1.143 57.528 56.400 -0.025 0.000 0.804 591 E CB -0.396 29.298 29.700 -0.011 0.000 0.745 591 E HN 0.386 nan 8.360 nan 0.000 0.458 592 I N 0.884 121.449 120.570 -0.009 0.000 2.406 592 I HA -0.184 3.986 4.170 -0.001 0.000 0.249 592 I C 2.962 179.039 176.117 -0.067 0.000 1.122 592 I CA 0.916 62.218 61.300 0.004 0.000 1.431 592 I CB -0.294 37.755 38.000 0.081 0.000 1.087 592 I HN 0.143 nan 8.210 nan 0.000 0.424 593 Q N 1.147 120.833 119.800 -0.191 0.000 2.084 593 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 593 Q C 2.369 178.175 176.000 -0.323 0.000 0.978 593 Q CA 1.802 57.275 55.803 -0.549 0.000 0.844 593 Q CB -0.025 28.201 28.738 -0.853 0.000 0.898 593 Q HN 0.544 nan 8.270 nan 0.000 0.426 594 A N 0.600 123.303 122.820 -0.195 0.000 1.883 594 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 594 A C 1.943 179.467 177.584 -0.101 0.000 1.186 594 A CA 1.176 53.135 52.037 -0.130 0.000 0.624 594 A CB -0.716 18.232 19.000 -0.088 0.000 0.822 594 A HN 0.404 nan 8.150 nan 0.000 0.444 595 L N -0.226 120.948 121.223 -0.083 0.000 2.043 595 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 595 L C 2.526 179.359 176.870 -0.061 0.000 1.075 595 L CA 1.630 56.435 54.840 -0.059 0.000 0.752 595 L CB -0.734 41.299 42.059 -0.044 0.000 0.891 595 L HN 0.424 nan 8.230 nan 0.000 0.432 596 L N -1.354 119.823 121.223 -0.077 0.000 2.027 596 L HA -0.234 4.105 4.340 -0.001 0.000 0.206 596 L C 2.499 179.329 176.870 -0.067 0.000 1.074 596 L CA 1.266 56.069 54.840 -0.061 0.000 0.745 596 L CB -0.629 41.396 42.059 -0.056 0.000 0.898 596 L HN 0.206 nan 8.230 nan 0.000 0.433 597 K N 0.107 120.445 120.400 -0.103 0.000 2.097 597 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 597 K C 1.568 178.138 176.600 -0.050 0.000 1.049 597 K CA 1.167 57.405 56.287 -0.081 0.000 0.933 597 K CB -0.153 32.283 32.500 -0.107 0.000 0.717 597 K HN 0.294 nan 8.250 nan 0.000 0.442 598 N N 0.529 119.198 118.700 -0.051 0.000 2.461 598 N HA 0.017 4.757 4.740 -0.001 0.000 0.188 598 N C 0.041 175.535 175.510 -0.027 0.000 1.134 598 N CA 0.176 53.205 53.050 -0.036 0.000 0.878 598 N CB 0.125 38.589 38.487 -0.038 0.000 0.972 598 N HN 0.121 nan 8.380 nan 0.000 0.456 599 A N 1.747 124.550 122.820 -0.028 0.000 2.366 599 A HA 0.364 4.684 4.320 -0.001 0.000 0.249 599 A C -2.117 175.462 177.584 -0.008 0.000 1.084 599 A CA -0.958 51.065 52.037 -0.023 0.000 0.794 599 A CB -0.310 18.673 19.000 -0.028 0.000 1.034 599 A HN -0.034 nan 8.150 nan 0.000 0.491 600 P HA 0.052 nan 4.420 nan 0.000 0.263 600 P C -0.583 176.740 177.300 0.038 0.000 1.175 600 P CA 0.537 63.647 63.100 0.015 0.000 0.761 600 P CB 0.316 32.025 31.700 0.015 0.000 0.794 601 K N 2.832 123.263 120.400 0.052 0.000 2.207 601 K HA 0.367 4.686 4.320 -0.001 0.000 0.255 601 K C -0.315 176.367 176.600 0.136 0.000 0.941 601 K CA -0.947 55.393 56.287 0.090 0.000 0.825 601 K CB 1.122 33.660 32.500 0.064 0.000 1.119 601 K HN 0.331 nan 8.250 nan 0.000 0.430 602 F N 1.003 120.966 119.950 0.022 0.000 2.578 602 F HA 0.270 4.796 4.527 -0.001 0.000 0.376 602 F C 1.136 176.957 175.800 0.036 0.000 1.085 602 F CA 1.350 59.367 58.000 0.028 0.000 1.260 602 F CB 0.240 39.257 39.000 0.028 0.000 1.095 602 F HN 0.827 nan 8.300 nan 0.000 0.573 603 G N 4.274 112.707 108.800 -0.612 0.000 2.143 603 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.175 603 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.175 603 G C 0.133 174.919 174.900 -0.189 0.000 1.004 603 G CA 0.022 44.822 45.100 -0.499 0.000 0.671 603 G HN 0.668 nan 8.290 nan 0.000 0.512 604 N N 0.823 119.453 118.700 -0.116 0.000 2.240 604 N HA 0.202 4.941 4.740 -0.001 0.000 0.240 604 N C 0.272 175.769 175.510 -0.022 0.000 1.277 604 N CA 0.309 53.334 53.050 -0.042 0.000 0.873 604 N CB 0.631 39.111 38.487 -0.011 0.000 1.222 604 N HN 0.244 nan 8.380 nan 0.000 0.507 605 D N 1.096 121.476 120.400 -0.033 0.000 2.800 605 D HA -0.169 4.470 4.640 -0.001 0.000 0.232 605 D C -0.649 175.668 176.300 0.029 0.000 1.137 605 D CA 0.594 54.597 54.000 0.006 0.000 0.718 605 D CB -1.366 39.441 40.800 0.013 0.000 1.084 605 D HN 0.415 nan 8.370 nan 0.000 0.432 606 I N 0.730 121.323 120.570 0.038 0.000 2.330 606 I HA 0.124 4.294 4.170 -0.001 0.000 0.286 606 I C 1.387 177.547 176.117 0.072 0.000 1.025 606 I CA -0.946 60.383 61.300 0.048 0.000 1.197 606 I CB 1.317 39.342 38.000 0.042 0.000 1.358 606 I HN -0.206 nan 8.210 nan 0.000 0.467 607 D N 3.952 124.392 120.400 0.065 0.000 2.133 607 D HA -0.238 4.401 4.640 -0.001 0.000 0.195 607 D C 1.766 178.107 176.300 0.069 0.000 0.997 607 D CA 1.468 55.513 54.000 0.074 0.000 0.840 607 D CB 0.185 41.022 40.800 0.061 0.000 0.947 607 D HN 0.667 nan 8.370 nan 0.000 0.452 608 E N 0.307 120.536 120.200 0.048 0.000 2.097 608 E HA -0.175 4.174 4.350 -0.001 0.000 0.196 608 E C 1.999 178.620 176.600 0.036 0.000 1.000 608 E CA 1.061 57.479 56.400 0.030 0.000 0.804 608 E CB 0.069 29.773 29.700 0.008 0.000 0.740 608 E HN 0.111 nan 8.360 nan 0.000 0.454 609 V N 0.332 120.284 119.914 0.063 0.000 2.685 609 V HA -0.093 4.026 4.120 -0.001 0.000 0.244 609 V C 1.185 177.365 176.094 0.143 0.000 1.054 609 V CA 1.713 64.063 62.300 0.083 0.000 1.076 609 V CB -0.134 31.748 31.823 0.100 0.000 0.725 609 V HN 0.215 nan 8.190 nan 0.000 0.467 610 D N 0.866 121.388 120.400 0.203 0.000 2.123 610 D HA -0.157 4.482 4.640 -0.001 0.000 0.196 610 D C 1.945 178.347 176.300 0.170 0.000 0.992 610 D CA 1.473 55.653 54.000 0.299 0.000 0.833 610 D CB -0.382 40.580 40.800 0.270 0.000 0.954 610 D HN 0.439 nan 8.370 nan 0.000 0.455 611 N N 0.184 118.956 118.700 0.120 0.000 2.244 611 N HA -0.048 4.691 4.740 -0.001 0.000 0.183 611 N C 1.930 177.485 175.510 0.075 0.000 1.016 611 N CA 0.286 53.393 53.050 0.094 0.000 0.866 611 N CB -0.093 38.445 38.487 0.085 0.000 0.980 611 N HN 0.270 nan 8.380 nan 0.000 0.430 612 L N 0.413 121.675 121.223 0.065 0.000 2.240 612 L HA 0.020 4.359 4.340 -0.001 0.000 0.211 612 L C 2.298 179.174 176.870 0.011 0.000 1.106 612 L CA 0.402 55.281 54.840 0.065 0.000 0.793 612 L CB -0.268 41.831 42.059 0.066 0.000 0.927 612 L HN 0.080 nan 8.230 nan 0.000 0.446 613 A N 0.252 123.039 122.820 -0.056 0.000 1.898 613 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 613 A C 2.427 179.936 177.584 -0.124 0.000 1.181 613 A CA 1.487 53.394 52.037 -0.217 0.000 0.620 613 A CB -0.463 18.173 19.000 -0.607 0.000 0.819 613 A HN 0.340 nan 8.150 nan 0.000 0.442 614 R N -0.408 120.070 120.500 -0.036 0.000 2.070 614 R HA -0.196 4.143 4.340 -0.001 0.000 0.233 614 R C 2.125 178.452 176.300 0.044 0.000 1.137 614 R CA 1.967 58.076 56.100 0.014 0.000 0.945 614 R CB -0.294 30.043 30.300 0.062 0.000 0.845 614 R HN 0.431 nan 8.270 nan 0.000 0.430 615 E N -0.173 120.067 120.200 0.067 0.000 2.072 615 E HA -0.076 4.273 4.350 -0.001 0.000 0.191 615 E C 1.776 178.459 176.600 0.138 0.000 0.985 615 E CA 1.705 58.164 56.400 0.098 0.000 0.801 615 E CB -0.628 29.138 29.700 0.110 0.000 0.750 615 E HN 0.513 nan 8.360 nan 0.000 0.452 616 G N 0.208 109.080 108.800 0.120 0.000 2.440 616 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.218 616 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.218 616 G C 1.678 176.731 174.900 0.255 0.000 1.154 616 G CA 1.194 46.413 45.100 0.200 0.000 0.767 616 G HN 0.443 nan 8.290 nan 0.000 0.552 617 A N 0.224 123.123 122.820 0.131 0.000 1.929 617 A HA 0.253 4.572 4.320 -0.001 0.000 0.216 617 A C 2.397 180.072 177.584 0.151 0.000 1.176 617 A CA 0.866 52.980 52.037 0.128 0.000 0.628 617 A CB -0.314 18.707 19.000 0.036 0.000 0.816 617 A HN 0.335 nan 8.150 nan 0.000 0.444 618 L N -0.304 120.984 121.223 0.108 0.000 2.083 618 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 618 L C 2.494 179.405 176.870 0.068 0.000 1.083 618 L CA 0.944 55.831 54.840 0.078 0.000 0.752 618 L CB -0.417 41.681 42.059 0.066 0.000 0.899 618 L HN 0.257 nan 8.230 nan 0.000 0.433 619 V N -0.822 119.160 119.914 0.114 0.000 2.332 619 V HA -0.359 3.760 4.120 -0.001 0.000 0.248 619 V C 2.178 178.272 176.094 -0.000 0.000 1.055 619 V CA 2.144 64.484 62.300 0.066 0.000 1.038 619 V CB -0.764 31.139 31.823 0.134 0.000 0.651 619 V HN 0.463 nan 8.190 nan 0.000 0.450 620 Y N 0.467 120.720 120.300 -0.079 0.000 2.133 620 Y HA -0.261 4.288 4.550 -0.001 0.000 0.287 620 Y C 2.592 178.403 175.900 -0.148 0.000 1.134 620 Y CA 1.693 59.690 58.100 -0.172 0.000 1.133 620 Y CB -0.880 37.494 38.460 -0.143 0.000 0.987 620 Y HN 0.239 nan 8.280 nan 0.000 0.502 621 C N 0.958 120.136 119.300 -0.204 0.000 2.413 621 C HA -0.187 4.272 4.460 -0.001 0.000 0.276 621 C C 2.703 177.567 174.990 -0.210 0.000 1.248 621 C CA 1.561 60.430 59.018 -0.247 0.000 1.742 621 C CB -1.335 26.379 27.740 -0.043 0.000 2.017 621 C HN 0.546 nan 8.230 nan 0.000 0.481 622 R N 0.554 120.976 120.500 -0.130 0.000 2.120 622 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 622 R C 2.170 178.389 176.300 -0.136 0.000 1.123 622 R CA 1.050 57.089 56.100 -0.102 0.000 0.975 622 R CB -0.225 30.038 30.300 -0.062 0.000 0.866 622 R HN 0.568 nan 8.270 nan 0.000 0.446 623 E N 0.312 120.401 120.200 -0.185 0.000 2.047 623 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 623 E C 2.172 178.704 176.600 -0.113 0.000 0.987 623 E CA 1.016 57.322 56.400 -0.157 0.000 0.799 623 E CB -0.265 29.315 29.700 -0.200 0.000 0.752 623 E HN 0.113 nan 8.360 nan 0.000 0.449 624 V N 2.529 122.265 119.914 -0.296 0.000 2.392 624 V HA -0.242 3.877 4.120 -0.001 0.000 0.249 624 V C 1.841 177.938 176.094 0.006 0.000 1.059 624 V CA 1.631 63.806 62.300 -0.208 0.000 1.051 624 V CB -0.607 30.974 31.823 -0.402 0.000 0.658 624 V HN 0.187 nan 8.190 nan 0.000 0.455 625 N N 0.311 118.980 118.700 -0.052 0.000 2.430 625 N HA -0.146 4.594 4.740 -0.001 0.000 0.186 625 N C 1.671 177.145 175.510 -0.059 0.000 1.032 625 N CA 1.021 54.064 53.050 -0.011 0.000 0.893 625 N CB -0.270 38.197 38.487 -0.034 0.000 0.957 625 N HN 0.560 nan 8.380 nan 0.000 0.442 626 K N -0.652 119.644 120.400 -0.174 0.000 2.288 626 K HA -0.040 4.279 4.320 -0.001 0.000 0.201 626 K C -0.082 176.153 176.600 -0.609 0.000 1.048 626 K CA 0.562 56.596 56.287 -0.422 0.000 0.956 626 K CB 0.060 32.176 32.500 -0.640 0.000 0.746 626 K HN 0.204 nan 8.250 nan 0.000 0.461 627 Y N 0.759 120.903 120.300 -0.260 0.000 2.376 627 Y HA 0.192 4.741 4.550 -0.001 0.000 0.325 627 Y C 0.808 176.671 175.900 -0.061 0.000 1.199 627 Y CA -0.893 56.989 58.100 -0.364 0.000 1.206 627 Y CB 1.316 39.201 38.460 -0.960 0.000 1.229 627 Y HN -0.123 nan 8.280 nan 0.000 0.480 628 T N -0.964 113.665 114.554 0.125 0.000 2.907 628 T HA 0.593 4.942 4.350 -0.001 0.000 0.292 628 T C -0.709 174.166 174.700 0.292 0.000 1.043 628 T CA -1.168 61.070 62.100 0.229 0.000 1.003 628 T CB 1.487 70.382 68.868 0.046 0.000 1.084 628 T HN 0.661 nan 8.240 nan 0.000 0.483 629 N N 0.801 119.621 118.700 0.200 0.000 2.502 629 N HA 0.521 5.261 4.740 -0.001 0.000 0.280 629 N C -2.343 173.111 175.510 -0.094 0.000 1.223 629 N CA -2.368 50.713 53.050 0.051 0.000 0.966 629 N CB 0.002 38.350 38.487 -0.232 0.000 1.203 629 N HN 0.231 nan 8.380 nan 0.000 0.565 630 P HA -0.017 nan 4.420 nan 0.000 0.228 630 P C 0.289 177.479 177.300 -0.182 0.000 1.151 630 P CA 1.028 64.031 63.100 -0.162 0.000 0.770 630 P CB 0.171 31.764 31.700 -0.179 0.000 0.786 631 R N -1.514 118.847 120.500 -0.231 0.000 2.334 631 R HA 0.277 4.617 4.340 -0.001 0.000 0.220 631 R C 1.248 177.429 176.300 -0.198 0.000 0.917 631 R CA 0.577 56.540 56.100 -0.228 0.000 1.073 631 R CB -0.400 29.726 30.300 -0.290 0.000 1.056 631 R HN 0.115 nan 8.270 nan 0.000 0.506 632 G N 0.095 108.797 108.800 -0.164 0.000 2.162 632 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.260 632 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.260 632 G C 0.385 175.193 174.900 -0.154 0.000 0.976 632 G CA -0.043 44.974 45.100 -0.139 0.000 0.655 632 G HN 0.540 nan 8.290 nan 0.000 0.533 633 G N -0.837 107.846 108.800 -0.195 0.000 2.528 633 G HA2 0.515 4.475 3.960 -0.001 0.000 0.289 633 G HA3 0.515 4.475 3.960 -0.001 0.000 0.289 633 G C -0.227 174.618 174.900 -0.091 0.000 1.192 633 G CA -0.171 44.782 45.100 -0.243 0.000 0.921 633 G HN 0.319 nan 8.290 nan 0.000 0.512 634 N N -0.708 117.973 118.700 -0.033 0.000 2.456 634 N HA 0.365 5.104 4.740 -0.001 0.000 0.296 634 N C -1.047 174.629 175.510 0.277 0.000 1.102 634 N CA -0.477 52.674 53.050 0.168 0.000 0.924 634 N CB 1.283 39.876 38.487 0.176 0.000 1.186 634 N HN 0.104 nan 8.380 nan 0.000 0.492 635 F N 1.186 121.194 119.950 0.097 0.000 2.429 635 F HA 0.190 4.717 4.527 -0.001 0.000 0.348 635 F C 0.794 176.645 175.800 0.086 0.000 1.109 635 F CA -0.015 58.041 58.000 0.093 0.000 1.232 635 F CB 0.783 39.817 39.000 0.055 0.000 1.157 635 F HN 0.316 nan 8.300 nan 0.000 0.564 636 Q N 4.588 124.494 119.800 0.177 0.000 2.305 636 Q HA 0.520 4.859 4.340 -0.001 0.000 0.271 636 Q C -3.240 172.788 176.000 0.045 0.000 1.046 636 Q CA -2.254 53.598 55.803 0.081 0.000 0.798 636 Q CB 2.794 31.530 28.738 -0.004 0.000 1.286 636 Q HN 0.231 nan 8.270 nan 0.000 0.435 637 P HA 0.343 nan 4.420 nan 0.000 0.276 637 P C -0.482 176.847 177.300 0.049 0.000 1.244 637 P CA 0.067 63.171 63.100 0.007 0.000 0.801 637 P CB 1.526 33.163 31.700 -0.105 0.000 1.006 638 G N 0.618 109.471 108.800 0.088 0.000 2.680 638 G HA2 0.651 4.610 3.960 -0.001 0.000 0.290 638 G HA3 0.651 4.610 3.960 -0.001 0.000 0.290 638 G C -1.532 173.392 174.900 0.041 0.000 1.355 638 G CA -0.878 44.250 45.100 0.047 0.000 0.903 638 G HN 0.403 nan 8.290 nan 0.000 0.474 639 L N 1.402 122.654 121.223 0.048 0.000 2.470 639 L HA 0.358 4.697 4.340 -0.001 0.000 0.256 639 L C -1.314 175.658 176.870 0.170 0.000 1.357 639 L CA -0.708 54.165 54.840 0.054 0.000 0.902 639 L CB 0.411 42.496 42.059 0.044 0.000 1.121 639 L HN 0.702 nan 8.230 nan 0.000 0.507 640 Y N 0.222 120.600 120.300 0.131 0.000 2.562 640 Y HA 0.759 5.308 4.550 -0.001 0.000 0.345 640 Y C -2.782 173.259 175.900 0.235 0.000 1.045 640 Y CA -2.147 56.050 58.100 0.161 0.000 1.028 640 Y CB 1.638 40.187 38.460 0.148 0.000 1.297 640 Y HN -0.045 nan 8.280 nan 0.000 0.463 641 P HA 0.159 nan 4.420 nan 0.000 0.298 641 P C 0.503 177.715 177.300 -0.146 0.000 1.310 641 P CA 0.919 64.024 63.100 0.008 0.000 0.991 641 P CB 1.437 33.104 31.700 -0.055 0.000 1.512 642 S N 1.118 116.976 115.700 0.264 0.000 4.140 642 S HA -0.217 4.252 4.470 -0.001 0.000 0.618 642 S C 0.974 175.669 174.600 0.159 0.000 1.896 642 S CA 2.496 60.874 58.200 0.297 0.000 4.240 642 S CB -1.962 61.278 63.200 0.066 0.000 0.208 642 S HN 0.483 nan 8.310 nan 0.000 0.487 643 S N 0.168 115.837 115.700 -0.051 0.000 2.819 643 S HA 0.445 4.915 4.470 -0.001 0.000 0.249 643 S C 1.194 175.656 174.600 -0.231 0.000 1.030 643 S CA 0.487 58.654 58.200 -0.056 0.000 1.052 643 S CB 0.152 63.384 63.200 0.054 0.000 1.017 643 S HN 0.667 nan 8.310 nan 0.000 0.576 644 I N 3.385 123.643 120.570 -0.519 0.000 3.001 644 I HA -0.144 4.025 4.170 -0.001 0.000 0.268 644 I C 2.116 177.934 176.117 -0.498 0.000 1.267 644 I CA 0.952 61.834 61.300 -0.697 0.000 1.472 644 I CB -0.119 36.987 38.000 -1.490 0.000 1.089 644 I HN 0.479 nan 8.210 nan 0.000 0.468 645 N N 0.676 119.201 118.700 -0.292 0.000 2.223 645 N HA -0.155 4.584 4.740 -0.001 0.000 0.185 645 N C 1.619 177.121 175.510 -0.014 0.000 1.016 645 N CA 1.349 54.344 53.050 -0.093 0.000 0.863 645 N CB -0.743 37.724 38.487 -0.033 0.000 0.983 645 N HN 0.252 nan 8.380 nan 0.000 0.429 646 V N 0.701 120.601 119.914 -0.023 0.000 2.283 646 V HA -0.203 3.916 4.120 -0.001 0.000 0.243 646 V C 2.293 178.427 176.094 0.067 0.000 1.039 646 V CA 1.459 63.771 62.300 0.020 0.000 1.016 646 V CB -0.991 30.841 31.823 0.014 0.000 0.650 646 V HN 0.192 nan 8.190 nan 0.000 0.449 647 Y N 0.158 120.422 120.300 -0.061 0.000 2.145 647 Y HA -0.235 4.315 4.550 -0.001 0.000 0.286 647 Y C 2.263 178.218 175.900 0.092 0.000 1.145 647 Y CA 1.301 59.394 58.100 -0.011 0.000 1.148 647 Y CB -0.612 37.829 38.460 -0.031 0.000 0.981 647 Y HN 0.201 nan 8.280 nan 0.000 0.507 648 F N -0.305 119.518 119.950 -0.212 0.000 2.126 648 F HA -0.233 4.293 4.527 -0.001 0.000 0.299 648 F C 2.551 178.191 175.800 -0.267 0.000 1.096 648 F CA 0.602 58.415 58.000 -0.312 0.000 1.255 648 F CB -0.666 38.199 39.000 -0.224 0.000 0.997 648 F HN 0.234 nan 8.300 nan 0.000 0.479 649 G N -0.450 108.369 108.800 0.031 0.000 2.450 649 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.220 649 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.220 649 G C 1.614 176.470 174.900 -0.075 0.000 1.130 649 G CA 1.050 46.134 45.100 -0.026 0.000 0.760 649 G HN 0.454 nan 8.290 nan 0.000 0.557 650 S N -0.044 115.600 115.700 -0.095 0.000 2.481 650 S HA 0.154 4.623 4.470 -0.001 0.000 0.231 650 S C 1.941 176.437 174.600 -0.173 0.000 0.996 650 S CA 0.452 58.588 58.200 -0.105 0.000 0.942 650 S CB -0.145 63.018 63.200 -0.062 0.000 0.768 650 S HN 0.274 nan 8.310 nan 0.000 0.520 651 L N 1.193 122.260 121.223 -0.260 0.000 2.640 651 L HA 0.276 4.616 4.340 -0.001 0.000 0.230 651 L C -0.032 176.690 176.870 -0.248 0.000 1.123 651 L CA -0.014 54.654 54.840 -0.287 0.000 0.900 651 L CB 0.069 41.881 42.059 -0.410 0.000 1.146 651 L HN 0.216 nan 8.230 nan 0.000 0.484 652 T N -0.049 114.384 114.554 -0.201 0.000 2.823 652 T HA 0.519 4.868 4.350 -0.001 0.000 0.279 652 T C 0.588 175.211 174.700 -0.128 0.000 0.998 652 T CA -0.454 61.538 62.100 -0.180 0.000 0.994 652 T CB 2.063 70.829 68.868 -0.170 0.000 0.960 652 T HN 0.215 nan 8.240 nan 0.000 0.448 653 G N 1.186 109.910 108.800 -0.127 0.000 2.611 653 G HA2 0.520 4.479 3.960 -0.001 0.000 0.273 653 G HA3 0.520 4.479 3.960 -0.001 0.000 0.273 653 G C 0.177 175.021 174.900 -0.093 0.000 1.305 653 G CA -0.615 44.419 45.100 -0.110 0.000 1.010 653 G HN 1.006 nan 8.290 nan 0.000 0.509 654 A N -0.525 122.220 122.820 -0.124 0.000 2.498 654 A HA 0.540 4.860 4.320 -0.001 0.000 0.239 654 A C 0.901 178.443 177.584 -0.069 0.000 1.068 654 A CA 0.707 52.675 52.037 -0.116 0.000 0.766 654 A CB -0.247 18.509 19.000 -0.407 0.000 1.003 654 A HN 1.262 nan 8.150 nan 0.000 0.497 655 T N 0.031 114.618 114.554 0.054 0.000 2.932 655 T HA 0.580 4.929 4.350 -0.001 0.000 0.289 655 T C -2.386 172.411 174.700 0.162 0.000 1.039 655 T CA -1.818 60.324 62.100 0.069 0.000 1.024 655 T CB 1.554 70.453 68.868 0.052 0.000 1.090 655 T HN 0.251 nan 8.240 nan 0.000 0.496 656 P HA -0.096 nan 4.420 nan 0.000 0.222 656 P C 0.928 178.288 177.300 0.099 0.000 1.142 656 P CA 0.939 64.108 63.100 0.116 0.000 0.788 656 P CB -0.073 31.654 31.700 0.044 0.000 0.767 657 D N -2.035 118.417 120.400 0.087 0.000 2.349 657 D HA 0.046 4.685 4.640 -0.001 0.000 0.224 657 D C 1.452 177.774 176.300 0.037 0.000 1.029 657 D CA 0.759 54.791 54.000 0.053 0.000 0.879 657 D CB -0.858 39.972 40.800 0.051 0.000 0.906 657 D HN 0.228 nan 8.370 nan 0.000 0.528 658 G N 0.681 109.529 108.800 0.080 0.000 2.176 658 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.232 658 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.232 658 G C 0.250 175.172 174.900 0.038 0.000 0.986 658 G CA -0.050 45.009 45.100 -0.067 0.000 0.643 658 G HN 0.590 nan 8.290 nan 0.000 0.522 659 R N 1.344 121.935 120.500 0.151 0.000 2.401 659 R HA 0.405 4.744 4.340 -0.001 0.000 0.299 659 R C 0.462 176.913 176.300 0.252 0.000 1.064 659 R CA -0.270 55.917 56.100 0.145 0.000 1.000 659 R CB 0.287 30.642 30.300 0.092 0.000 0.973 659 R HN 0.246 nan 8.270 nan 0.000 0.438 660 K N 2.028 122.553 120.400 0.209 0.000 2.258 660 K HA 0.016 4.335 4.320 -0.001 0.000 0.264 660 K C 0.174 176.821 176.600 0.078 0.000 1.007 660 K CA -0.141 56.270 56.287 0.206 0.000 0.941 660 K CB 1.046 33.645 32.500 0.163 0.000 0.966 660 K HN 0.543 nan 8.250 nan 0.000 0.480 661 S N 0.365 116.077 115.700 0.019 0.000 2.558 661 S HA 0.129 4.598 4.470 -0.001 0.000 0.291 661 S C 1.199 175.787 174.600 -0.020 0.000 1.306 661 S CA 1.103 59.285 58.200 -0.030 0.000 1.056 661 S CB -0.210 62.952 63.200 -0.063 0.000 0.836 661 S HN 0.838 nan 8.310 nan 0.000 0.504 662 G N 3.024 111.801 108.800 -0.040 0.000 2.184 662 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.264 662 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.264 662 G C 0.059 174.948 174.900 -0.018 0.000 0.975 662 G CA 0.345 45.422 45.100 -0.038 0.000 0.642 662 G HN 0.723 nan 8.290 nan 0.000 0.536 663 Q N 0.508 120.305 119.800 -0.004 0.000 2.306 663 Q HA 0.395 4.735 4.340 -0.001 0.000 0.241 663 Q C -2.255 173.750 176.000 0.007 0.000 0.948 663 Q CA -1.756 54.053 55.803 0.010 0.000 0.886 663 Q CB 0.874 29.628 28.738 0.026 0.000 1.227 663 Q HN 0.197 nan 8.270 nan 0.000 0.457 664 P HA 0.012 nan 4.420 nan 0.000 0.268 664 P C -0.335 176.980 177.300 0.026 0.000 1.208 664 P CA 0.302 63.413 63.100 0.018 0.000 0.777 664 P CB 0.489 32.201 31.700 0.019 0.000 0.875 665 L N 1.050 122.292 121.223 0.033 0.000 2.431 665 L HA 0.568 4.907 4.340 -0.001 0.000 0.260 665 L C 0.920 177.821 176.870 0.051 0.000 1.098 665 L CA -1.192 53.674 54.840 0.042 0.000 0.800 665 L CB 0.455 42.547 42.059 0.056 0.000 1.210 665 L HN 0.352 nan 8.230 nan 0.000 0.465 666 A N 0.620 123.479 122.820 0.065 0.000 2.425 666 A HA 0.183 4.503 4.320 -0.001 0.000 0.242 666 A C -0.449 177.188 177.584 0.090 0.000 1.077 666 A CA -0.505 51.584 52.037 0.087 0.000 0.781 666 A CB -0.019 19.050 19.000 0.115 0.000 1.020 666 A HN 0.748 nan 8.150 nan 0.000 0.494 667 D N 1.502 121.966 120.400 0.107 0.000 2.280 667 D HA 0.435 5.074 4.640 -0.001 0.000 0.243 667 D C 0.869 177.270 176.300 0.168 0.000 1.129 667 D CA 0.443 54.512 54.000 0.115 0.000 0.848 667 D CB 0.808 41.672 40.800 0.106 0.000 1.107 667 D HN 1.145 nan 8.370 nan 0.000 0.471 668 G N 2.148 111.049 108.800 0.168 0.000 2.611 668 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.301 668 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.301 668 G C 0.781 175.794 174.900 0.189 0.000 1.233 668 G CA 1.376 46.599 45.100 0.206 0.000 0.993 668 G HN 1.254 nan 8.290 nan 0.000 0.553 669 V N -2.190 117.866 119.914 0.237 0.000 3.376 669 V HA 0.610 4.730 4.120 -0.001 0.000 0.313 669 V C 0.974 177.234 176.094 0.276 0.000 1.393 669 V CA 0.902 63.330 62.300 0.212 0.000 1.125 669 V CB 0.104 32.044 31.823 0.194 0.000 1.037 669 V HN 0.813 nan 8.190 nan 0.000 0.440 670 S N 2.874 118.770 115.700 0.327 0.000 2.572 670 S HA 0.406 4.875 4.470 -0.001 0.000 0.279 670 S C -2.201 172.601 174.600 0.337 0.000 1.341 670 S CA -0.278 58.153 58.200 0.385 0.000 1.043 670 S CB 0.744 64.171 63.200 0.379 0.000 0.887 670 S HN 0.381 nan 8.310 nan 0.000 0.516 671 P HA 0.183 nan 4.420 nan 0.000 0.272 671 P C -0.477 176.944 177.300 0.202 0.000 1.230 671 P CA -0.265 62.975 63.100 0.235 0.000 0.788 671 P CB 0.437 32.133 31.700 -0.006 0.000 0.949 672 S N 1.075 116.890 115.700 0.192 0.000 2.573 672 S HA 0.078 4.547 4.470 -0.001 0.000 0.277 672 S C 0.314 174.959 174.600 0.076 0.000 1.346 672 S CA -0.489 57.784 58.200 0.121 0.000 1.034 672 S CB -0.016 63.246 63.200 0.104 0.000 0.879 672 S HN 0.405 nan 8.310 nan 0.000 0.528 673 R N 0.870 121.400 120.500 0.050 0.000 2.537 673 R HA 0.305 4.645 4.340 -0.001 0.000 0.281 673 R C 1.120 177.420 176.300 -0.000 0.000 0.988 673 R CA 0.498 56.607 56.100 0.016 0.000 1.077 673 R CB -0.786 29.519 30.300 0.009 0.000 0.932 673 R HN 0.870 nan 8.270 nan 0.000 0.409 674 G N 1.779 110.561 108.800 -0.029 0.000 2.189 674 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.267 674 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.267 674 G C 0.818 175.707 174.900 -0.018 0.000 0.975 674 G CA 0.352 45.430 45.100 -0.037 0.000 0.644 674 G HN 0.725 nan 8.290 nan 0.000 0.537 675 C N 1.364 120.667 119.300 0.005 0.000 2.485 675 C HA 0.205 4.665 4.460 -0.001 0.000 0.278 675 C C 1.235 176.234 174.990 0.015 0.000 1.356 675 C CA 0.424 59.453 59.018 0.019 0.000 1.747 675 C CB -0.368 27.402 27.740 0.051 0.000 2.001 675 C HN 0.723 nan 8.230 nan 0.000 0.501 676 D N 2.025 122.437 120.400 0.019 0.000 2.435 676 D HA 0.144 4.784 4.640 -0.001 0.000 0.230 676 D C 0.525 176.862 176.300 0.062 0.000 1.215 676 D CA 0.098 54.123 54.000 0.042 0.000 0.947 676 D CB 0.343 41.198 40.800 0.091 0.000 1.048 676 D HN 0.395 nan 8.370 nan 0.000 0.512 677 V N -0.289 119.646 119.914 0.036 0.000 3.043 677 V HA 0.270 4.389 4.120 -0.001 0.000 0.357 677 V C 0.492 176.612 176.094 0.043 0.000 1.372 677 V CA -0.390 61.926 62.300 0.027 0.000 1.214 677 V CB -0.206 31.618 31.823 0.000 0.000 1.224 677 V HN 0.276 nan 8.190 nan 0.000 0.507 678 S N 1.041 116.778 115.700 0.062 0.000 2.749 678 S HA 0.680 5.149 4.470 -0.001 0.000 0.246 678 S C 0.842 175.470 174.600 0.045 0.000 1.023 678 S CA 0.216 58.441 58.200 0.041 0.000 1.012 678 S CB 0.436 63.647 63.200 0.017 0.000 0.942 678 S HN 1.589 nan 8.310 nan 0.000 0.531 679 G N 3.152 112.010 108.800 0.096 0.000 2.675 679 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.686 679 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.686 679 G C -2.308 172.492 174.900 -0.167 0.000 1.215 679 G CA -0.562 44.565 45.100 0.046 0.000 0.777 679 G HN 0.026 nan 8.290 nan 0.000 0.638 680 P HA -0.099 nan 4.420 nan 0.000 0.218 680 P C 1.707 178.906 177.300 -0.169 0.000 1.149 680 P CA 2.131 64.908 63.100 -0.539 0.000 0.817 680 P CB -0.001 31.491 31.700 -0.346 0.000 0.785 681 T N 0.262 114.776 114.554 -0.066 0.000 2.777 681 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 681 T C 2.111 176.811 174.700 0.001 0.000 1.040 681 T CA 1.629 63.725 62.100 -0.006 0.000 1.141 681 T CB -0.768 68.104 68.868 0.006 0.000 0.868 681 T HN 0.093 nan 8.240 nan 0.000 0.444 682 A N 1.449 124.256 122.820 -0.021 0.000 1.933 682 A HA 0.140 4.459 4.320 -0.001 0.000 0.218 682 A C 2.624 180.183 177.584 -0.042 0.000 1.175 682 A CA 1.824 53.851 52.037 -0.016 0.000 0.628 682 A CB -1.047 17.945 19.000 -0.014 0.000 0.814 682 A HN 0.504 nan 8.150 nan 0.000 0.444 683 A N -1.101 121.679 122.820 -0.066 0.000 1.898 683 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 683 A C 2.303 179.848 177.584 -0.064 0.000 1.181 683 A CA 1.614 53.595 52.037 -0.093 0.000 0.620 683 A CB -1.262 17.719 19.000 -0.032 0.000 0.819 683 A HN 0.585 nan 8.150 nan 0.000 0.442 684 C N -0.181 119.143 119.300 0.039 0.000 2.429 684 C HA -0.103 4.357 4.460 -0.001 0.000 0.277 684 C C 2.665 177.763 174.990 0.180 0.000 1.262 684 C CA 1.238 60.315 59.018 0.100 0.000 1.733 684 C CB -1.447 26.382 27.740 0.149 0.000 2.010 684 C HN 0.652 nan 8.230 nan 0.000 0.483 685 N N 0.935 119.706 118.700 0.119 0.000 2.166 685 N HA -0.092 4.648 4.740 -0.001 0.000 0.186 685 N C 1.913 177.484 175.510 0.102 0.000 1.019 685 N CA 1.359 54.485 53.050 0.127 0.000 0.856 685 N CB -0.563 37.971 38.487 0.080 0.000 0.993 685 N HN 0.433 nan 8.380 nan 0.000 0.426 686 S N 0.232 115.928 115.700 -0.006 0.000 2.348 686 S HA -0.043 4.426 4.470 -0.001 0.000 0.221 686 S C 2.193 176.833 174.600 0.067 0.000 1.033 686 S CA 0.872 59.036 58.200 -0.060 0.000 1.010 686 S CB -0.244 62.719 63.200 -0.395 0.000 0.891 686 S HN 0.093 nan 8.310 nan 0.000 0.442 687 V N 2.536 122.415 119.914 -0.057 0.000 2.490 687 V HA -0.144 3.975 4.120 -0.001 0.000 0.250 687 V C 2.546 178.916 176.094 0.461 0.000 1.061 687 V CA 1.804 64.198 62.300 0.157 0.000 1.064 687 V CB -1.128 30.436 31.823 -0.432 0.000 0.670 687 V HN 0.697 nan 8.190 nan 0.000 0.461 688 S N -0.040 115.925 115.700 0.442 0.000 2.507 688 S HA -0.168 4.301 4.470 -0.001 0.000 0.235 688 S C 1.753 176.548 174.600 0.326 0.000 0.988 688 S CA 1.075 59.495 58.200 0.366 0.000 0.944 688 S CB -0.459 62.885 63.200 0.239 0.000 0.762 688 S HN 0.658 nan 8.310 nan 0.000 0.526 689 K N 0.481 121.057 120.400 0.294 0.000 2.432 689 K HA 0.241 4.561 4.320 -0.001 0.000 0.196 689 K C 0.440 177.172 176.600 0.220 0.000 1.038 689 K CA 0.123 56.551 56.287 0.235 0.000 0.986 689 K CB -0.253 32.372 32.500 0.209 0.000 0.782 689 K HN 0.434 nan 8.250 nan 0.000 0.485 690 L N 1.170 122.531 121.223 0.229 0.000 2.476 690 L HA 0.040 4.379 4.340 -0.001 0.000 0.255 690 L C 0.521 177.433 176.870 0.070 0.000 1.218 690 L CA -0.403 54.476 54.840 0.066 0.000 0.819 690 L CB 0.198 42.190 42.059 -0.112 0.000 1.119 690 L HN 0.029 nan 8.230 nan 0.000 0.485 691 D N -0.178 120.232 120.400 0.016 0.000 2.422 691 D HA 0.041 4.680 4.640 -0.001 0.000 0.227 691 D C 0.811 177.149 176.300 0.064 0.000 1.190 691 D CA -0.049 54.028 54.000 0.129 0.000 0.905 691 D CB 0.356 41.227 40.800 0.119 0.000 1.034 691 D HN 0.394 nan 8.370 nan 0.000 0.507 692 H N 2.899 122.091 119.070 0.204 0.000 2.551 692 H HA -0.009 4.546 4.556 -0.001 0.000 0.266 692 H C 0.957 176.350 175.328 0.108 0.000 0.977 692 H CA 0.299 56.423 56.048 0.127 0.000 1.163 692 H CB 0.499 30.331 29.762 0.117 0.000 1.381 692 H HN 0.437 nan 8.280 nan 0.000 0.581 693 F N 0.266 120.343 119.950 0.213 0.000 2.179 693 F HA -0.027 4.499 4.527 -0.002 0.000 0.292 693 F C 2.580 178.437 175.800 0.095 0.000 1.089 693 F CA 0.389 58.480 58.000 0.151 0.000 1.295 693 F CB -0.244 38.813 39.000 0.095 0.000 1.041 693 F HN 0.023 nan 8.300 nan 0.000 0.487 694 I N 0.060 120.789 120.570 0.265 0.000 2.315 694 I HA -0.133 4.037 4.170 -0.001 0.000 0.248 694 I C 1.541 177.703 176.117 0.075 0.000 1.117 694 I CA 0.683 62.064 61.300 0.134 0.000 1.404 694 I CB -0.139 37.914 38.000 0.089 0.000 1.071 694 I HN 0.036 nan 8.210 nan 0.000 0.419 695 A N 0.502 123.355 122.820 0.054 0.000 3.074 695 A HA 0.119 4.438 4.320 -0.001 0.000 0.251 695 A C 1.618 179.169 177.584 -0.054 0.000 1.695 695 A CA 0.475 52.506 52.037 -0.011 0.000 1.343 695 A CB -0.925 18.042 19.000 -0.055 0.000 1.078 695 A HN 0.555 nan 8.150 nan 0.000 0.644 696 S N -0.239 115.467 115.700 0.010 0.000 2.547 696 S HA -0.137 4.332 4.470 -0.001 0.000 0.235 696 S C 1.210 175.802 174.600 -0.013 0.000 0.980 696 S CA 1.227 59.444 58.200 0.029 0.000 0.941 696 S CB -0.401 62.794 63.200 -0.008 0.000 0.763 696 S HN 0.654 nan 8.310 nan 0.000 0.532 697 N N 1.728 120.414 118.700 -0.024 0.000 2.383 697 N HA 0.319 5.058 4.740 -0.001 0.000 0.192 697 N C 0.428 175.960 175.510 0.036 0.000 1.141 697 N CA 0.755 53.839 53.050 0.056 0.000 0.851 697 N CB 0.091 38.647 38.487 0.114 0.000 0.976 697 N HN 0.630 nan 8.380 nan 0.000 0.465 698 G N -0.571 108.082 108.800 -0.246 0.000 2.712 698 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.686 698 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.686 698 G C -0.602 174.042 174.900 -0.427 0.000 1.181 698 G CA -0.425 44.306 45.100 -0.614 0.000 0.762 698 G HN 0.440 nan 8.290 nan 0.000 0.641 699 T N -0.963 113.221 114.554 -0.617 0.000 2.876 699 T HA 0.750 5.099 4.350 -0.001 0.000 0.289 699 T C -0.290 174.491 174.700 0.136 0.000 1.014 699 T CA -0.699 61.361 62.100 -0.066 0.000 0.986 699 T CB 2.191 71.115 68.868 0.094 0.000 1.021 699 T HN 1.594 nan 8.240 nan 0.000 0.458 700 L N 3.685 125.044 121.223 0.226 0.000 2.322 700 L HA 0.801 5.140 4.340 -0.001 0.000 0.281 700 L C -1.670 175.500 176.870 0.499 0.000 1.014 700 L CA -1.091 53.890 54.840 0.236 0.000 0.815 700 L CB 1.343 43.490 42.059 0.147 0.000 1.247 700 L HN 0.789 nan 8.230 nan 0.000 0.421 701 F N 5.290 125.519 119.950 0.464 0.000 2.499 701 F HA 0.521 5.047 4.527 -0.001 0.000 0.333 701 F C -0.763 175.070 175.800 0.054 0.000 1.138 701 F CA -1.114 57.018 58.000 0.220 0.000 0.945 701 F CB 1.142 40.226 39.000 0.141 0.000 1.181 701 F HN 0.436 nan 8.300 nan 0.000 0.435 702 N N 5.056 123.833 118.700 0.128 0.000 2.443 702 N HA 0.392 5.131 4.740 -0.001 0.000 0.295 702 N C -1.127 174.152 175.510 -0.384 0.000 1.076 702 N CA -0.256 52.696 53.050 -0.163 0.000 0.919 702 N CB 1.894 40.388 38.487 0.012 0.000 1.176 702 N HN 0.654 nan 8.380 nan 0.000 0.487 703 Q N 0.824 120.357 119.800 -0.445 0.000 2.345 703 Q HA 0.335 4.675 4.340 -0.001 0.000 0.275 703 Q C -1.169 174.769 176.000 -0.103 0.000 1.063 703 Q CA -0.660 54.953 55.803 -0.316 0.000 0.819 703 Q CB 3.038 31.526 28.738 -0.417 0.000 1.356 703 Q HN 0.372 nan 8.270 nan 0.000 0.418 704 K N 2.551 122.870 120.400 -0.135 0.000 2.376 704 K HA 0.519 4.839 4.320 -0.001 0.000 0.257 704 K C -1.648 174.848 176.600 -0.174 0.000 0.939 704 K CA -0.290 55.958 56.287 -0.065 0.000 0.809 704 K CB 0.910 33.375 32.500 -0.058 0.000 1.121 704 K HN 0.380 nan 8.250 nan 0.000 0.425 705 F N 2.188 122.185 119.950 0.080 0.000 2.492 705 F HA 0.255 4.781 4.527 -0.001 0.000 0.327 705 F C 0.639 176.464 175.800 0.041 0.000 1.079 705 F CA -0.798 57.240 58.000 0.064 0.000 0.967 705 F CB 1.244 40.245 39.000 0.002 0.000 1.169 705 F HN 0.527 nan 8.300 nan 0.000 0.472 706 H N 4.215 123.416 119.070 0.217 0.000 2.732 706 H HA 0.117 4.672 4.556 -0.001 0.000 0.351 706 H C -1.938 173.445 175.328 0.092 0.000 1.090 706 H CA -1.466 54.644 56.048 0.102 0.000 1.431 706 H CB 1.710 31.516 29.762 0.074 0.000 1.447 706 H HN 0.318 nan 8.280 nan 0.000 0.582 707 P HA -0.210 nan 4.420 nan 0.000 0.217 707 P C 1.612 178.944 177.300 0.053 0.000 1.148 707 P CA 2.262 65.296 63.100 -0.109 0.000 0.834 707 P CB 0.106 31.680 31.700 -0.210 0.000 0.783 708 S N -0.644 115.244 115.700 0.314 0.000 2.399 708 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 708 S C 2.061 176.716 174.600 0.090 0.000 1.022 708 S CA 1.156 59.492 58.200 0.225 0.000 0.983 708 S CB -1.392 61.956 63.200 0.245 0.000 0.803 708 S HN 0.140 nan 8.310 nan 0.000 0.480 709 A N 1.201 124.082 122.820 0.102 0.000 2.070 709 A HA 0.205 4.524 4.320 -0.001 0.000 0.220 709 A C 2.020 179.491 177.584 -0.189 0.000 1.159 709 A CA 0.985 52.992 52.037 -0.050 0.000 0.656 709 A CB -0.417 18.566 19.000 -0.028 0.000 0.800 709 A HN 0.521 nan 8.150 nan 0.000 0.453 710 L N -0.975 120.160 121.223 -0.146 0.000 2.640 710 L HA 0.170 4.509 4.340 -0.001 0.000 0.230 710 L C 0.838 177.644 176.870 -0.107 0.000 1.123 710 L CA 0.416 55.150 54.840 -0.176 0.000 0.900 710 L CB -0.925 41.038 42.059 -0.159 0.000 1.146 710 L HN 0.403 nan 8.230 nan 0.000 0.484 711 K N 0.838 121.197 120.400 -0.067 0.000 2.412 711 K HA 0.344 4.664 4.320 -0.001 0.000 0.281 711 K C 0.700 177.265 176.600 -0.058 0.000 1.027 711 K CA 0.840 57.099 56.287 -0.046 0.000 0.989 711 K CB 0.450 32.938 32.500 -0.020 0.000 0.935 711 K HN 0.225 nan 8.250 nan 0.000 0.475 712 G N 3.596 112.365 108.800 -0.052 0.000 2.855 712 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.352 712 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.352 712 G C 0.093 174.952 174.900 -0.069 0.000 1.415 712 G CA -0.140 44.927 45.100 -0.055 0.000 0.871 712 G HN 0.780 nan 8.290 nan 0.000 0.543 713 D N 0.330 120.691 120.400 -0.065 0.000 2.149 713 D HA -0.114 4.526 4.640 -0.001 0.000 0.198 713 D C 2.349 178.600 176.300 -0.082 0.000 0.990 713 D CA 1.429 55.386 54.000 -0.071 0.000 0.839 713 D CB -0.144 40.619 40.800 -0.060 0.000 0.948 713 D HN 0.401 nan 8.370 nan 0.000 0.460 714 N N 0.736 119.389 118.700 -0.078 0.000 2.104 714 N HA -0.128 4.611 4.740 -0.001 0.000 0.190 714 N C 2.011 177.449 175.510 -0.120 0.000 1.024 714 N CA 1.377 54.374 53.050 -0.088 0.000 0.853 714 N CB -0.682 37.760 38.487 -0.075 0.000 1.008 714 N HN 0.260 nan 8.380 nan 0.000 0.424 715 G N 1.821 110.545 108.800 -0.126 0.000 2.476 715 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.218 715 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.218 715 G C 1.704 176.477 174.900 -0.213 0.000 1.164 715 G CA 0.558 45.552 45.100 -0.175 0.000 0.768 715 G HN 0.248 nan 8.290 nan 0.000 0.560 716 L N -0.058 121.067 121.223 -0.163 0.000 2.093 716 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 716 L C 3.120 179.890 176.870 -0.167 0.000 1.085 716 L CA 0.637 55.379 54.840 -0.162 0.000 0.755 716 L CB -0.424 41.568 42.059 -0.111 0.000 0.904 716 L HN 0.163 nan 8.230 nan 0.000 0.435 717 M N -0.170 119.346 119.600 -0.139 0.000 2.117 717 M HA -0.160 4.320 4.480 -0.001 0.000 0.262 717 M C 1.975 178.182 176.300 -0.155 0.000 1.065 717 M CA 1.558 56.784 55.300 -0.124 0.000 1.114 717 M CB -1.205 31.337 32.600 -0.097 0.000 1.361 717 M HN 0.323 nan 8.290 nan 0.000 0.408 718 N N 0.759 119.346 118.700 -0.188 0.000 2.171 718 N HA -0.095 4.644 4.740 -0.001 0.000 0.184 718 N C 1.807 177.136 175.510 -0.302 0.000 1.021 718 N CA 0.892 53.812 53.050 -0.217 0.000 0.854 718 N CB -0.527 37.824 38.487 -0.226 0.000 0.994 718 N HN 0.235 nan 8.380 nan 0.000 0.426 719 L N 0.845 121.826 121.223 -0.403 0.000 2.046 719 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 719 L C 2.413 179.031 176.870 -0.420 0.000 1.077 719 L CA 1.429 55.935 54.840 -0.557 0.000 0.747 719 L CB -0.828 40.840 42.059 -0.652 0.000 0.896 719 L HN 0.078 nan 8.230 nan 0.000 0.432 720 S N -1.716 113.806 115.700 -0.297 0.000 2.370 720 S HA -0.242 4.228 4.470 -0.001 0.000 0.226 720 S C 2.287 176.777 174.600 -0.182 0.000 1.033 720 S CA 1.798 59.868 58.200 -0.217 0.000 1.011 720 S CB -0.589 62.529 63.200 -0.137 0.000 0.852 720 S HN 0.650 nan 8.310 nan 0.000 0.457 721 S N 0.308 115.913 115.700 -0.160 0.000 2.368 721 S HA -0.047 4.422 4.470 -0.001 0.000 0.224 721 S C 1.840 176.376 174.600 -0.107 0.000 1.029 721 S CA 1.253 59.386 58.200 -0.112 0.000 0.988 721 S CB -0.659 62.483 63.200 -0.096 0.000 0.838 721 S HN 0.521 nan 8.310 nan 0.000 0.462 722 L N 1.620 122.755 121.223 -0.147 0.000 2.017 722 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 722 L C 2.109 178.928 176.870 -0.085 0.000 1.073 722 L CA 1.803 56.583 54.840 -0.101 0.000 0.745 722 L CB -0.564 41.410 42.059 -0.142 0.000 0.894 722 L HN 0.412 nan 8.230 nan 0.000 0.432 723 I N -0.785 119.663 120.570 -0.202 0.000 2.163 723 I HA -0.330 3.840 4.170 -0.001 0.000 0.243 723 I C 2.682 178.607 176.117 -0.320 0.000 1.085 723 I CA 1.475 62.572 61.300 -0.339 0.000 1.347 723 I CB -0.384 37.292 38.000 -0.540 0.000 1.044 723 I HN 0.242 nan 8.210 nan 0.000 0.408 724 R N 0.076 120.473 120.500 -0.173 0.000 2.096 724 R HA -0.167 4.172 4.340 -0.001 0.000 0.235 724 R C 2.577 178.903 176.300 0.043 0.000 1.127 724 R CA 1.694 57.770 56.100 -0.040 0.000 0.968 724 R CB -0.414 29.875 30.300 -0.018 0.000 0.861 724 R HN 0.297 nan 8.270 nan 0.000 0.440 725 S N -0.052 115.671 115.700 0.038 0.000 2.368 725 S HA -0.196 4.273 4.470 -0.001 0.000 0.225 725 S C 1.825 176.522 174.600 0.161 0.000 1.030 725 S CA 1.047 59.298 58.200 0.085 0.000 0.999 725 S CB -0.275 62.966 63.200 0.068 0.000 0.844 725 S HN 0.446 nan 8.310 nan 0.000 0.459 726 Y N 1.064 121.393 120.300 0.048 0.000 2.200 726 Y HA 0.009 4.558 4.550 -0.001 0.000 0.290 726 Y C 1.731 177.803 175.900 0.286 0.000 1.137 726 Y CA 1.409 59.589 58.100 0.133 0.000 1.163 726 Y CB -0.668 37.862 38.460 0.117 0.000 0.988 726 Y HN 0.313 nan 8.280 nan 0.000 0.518 727 F N 0.703 120.607 119.950 -0.077 0.000 2.206 727 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 727 F C 2.138 177.877 175.800 -0.102 0.000 1.090 727 F CA 1.161 59.063 58.000 -0.163 0.000 1.323 727 F CB -1.063 37.925 39.000 -0.020 0.000 1.028 727 F HN 0.110 nan 8.300 nan 0.000 0.492 728 D N -0.183 120.317 120.400 0.167 0.000 2.178 728 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 728 D C 1.751 178.096 176.300 0.075 0.000 0.980 728 D CA 0.978 55.042 54.000 0.106 0.000 0.842 728 D CB -0.375 40.480 40.800 0.091 0.000 0.948 728 D HN 0.399 nan 8.370 nan 0.000 0.472 729 Q N 0.191 120.026 119.800 0.057 0.000 2.322 729 Q HA 0.041 4.380 4.340 -0.001 0.000 0.203 729 Q C -0.129 175.880 176.000 0.015 0.000 0.923 729 Q CA 0.054 55.891 55.803 0.056 0.000 0.949 729 Q CB 0.469 29.260 28.738 0.089 0.000 1.039 729 Q HN -0.012 nan 8.270 nan 0.000 0.496 730 K N -1.264 119.102 120.400 -0.056 0.000 3.365 730 K HA -0.103 4.216 4.320 -0.001 0.000 0.291 730 K C 0.087 176.462 176.600 -0.376 0.000 1.295 730 K CA 0.798 57.010 56.287 -0.124 0.000 0.851 730 K CB -2.266 30.310 32.500 0.126 0.000 1.406 730 K HN 0.466 nan 8.250 nan 0.000 0.506 731 G N -0.041 108.342 108.800 -0.694 0.000 2.544 731 G HA2 0.326 4.285 3.960 -0.001 0.000 0.242 731 G HA3 0.326 4.285 3.960 -0.001 0.000 0.242 731 G C 0.714 175.173 174.900 -0.735 0.000 1.247 731 G CA -0.309 44.026 45.100 -1.274 0.000 0.840 731 G HN 0.145 nan 8.290 nan 0.000 0.578 732 F N 0.328 119.883 119.950 -0.658 0.000 2.188 732 F HA 0.220 4.746 4.527 -0.001 0.000 0.289 732 F C 1.091 176.910 175.800 0.031 0.000 1.082 732 F CA 1.200 59.059 58.000 -0.234 0.000 1.282 732 F CB 0.432 39.488 39.000 0.093 0.000 1.060 732 F HN 0.562 nan 8.300 nan 0.000 0.493 733 H N -0.717 118.683 119.070 0.550 0.000 3.042 733 H HA 0.540 5.095 4.556 -0.001 0.000 0.346 733 H C -1.972 173.696 175.328 0.567 0.000 1.294 733 H CA -0.699 55.635 56.048 0.477 0.000 1.141 733 H CB 1.524 31.450 29.762 0.273 0.000 1.872 733 H HN 0.011 nan 8.280 nan 0.000 0.541 734 V N 3.354 122.886 119.914 -0.637 0.000 3.077 734 V HA 0.461 4.580 4.120 -0.001 0.000 0.299 734 V C -1.842 173.658 176.094 -0.989 0.000 1.276 734 V CA -0.291 61.556 62.300 -0.755 0.000 0.993 734 V CB 2.116 33.648 31.823 -0.485 0.000 1.076 734 V HN 1.060 nan 8.190 nan 0.000 0.434 735 Q N 4.092 123.272 119.800 -1.034 0.000 2.435 735 Q HA 0.683 5.022 4.340 -0.001 0.000 0.282 735 Q C -2.241 173.221 176.000 -0.898 0.000 1.020 735 Q CA -0.749 54.660 55.803 -0.657 0.000 0.820 735 Q CB 2.555 31.200 28.738 -0.154 0.000 1.436 735 Q HN 0.529 nan 8.270 nan 0.000 0.395 736 F N 0.362 120.326 119.950 0.023 0.000 2.551 736 F HA 0.502 5.028 4.527 -0.001 0.000 0.316 736 F C -0.040 175.787 175.800 0.045 0.000 1.089 736 F CA -0.942 57.074 58.000 0.027 0.000 0.915 736 F CB 1.918 40.975 39.000 0.094 0.000 1.186 736 F HN 0.459 nan 8.300 nan 0.000 0.456 737 N N 0.991 119.813 118.700 0.204 0.000 2.456 737 N HA 0.598 5.337 4.740 -0.001 0.000 0.288 737 N C -1.242 174.356 175.510 0.148 0.000 1.059 737 N CA -0.220 52.899 53.050 0.115 0.000 0.946 737 N CB 2.151 40.662 38.487 0.041 0.000 1.150 737 N HN 0.399 nan 8.380 nan 0.000 0.479 738 V N 4.214 124.181 119.914 0.089 0.000 2.558 738 V HA 0.437 4.556 4.120 -0.001 0.000 0.261 738 V C -0.234 175.854 176.094 -0.010 0.000 0.958 738 V CA -0.455 61.886 62.300 0.068 0.000 0.852 738 V CB 0.459 32.318 31.823 0.059 0.000 1.067 738 V HN 0.546 nan 8.190 nan 0.000 0.468 739 I N 1.107 121.647 120.570 -0.049 0.000 2.894 739 I HA 0.557 4.726 4.170 -0.001 0.000 0.302 739 I C -1.142 174.884 176.117 -0.152 0.000 1.188 739 I CA -0.561 60.677 61.300 -0.103 0.000 1.014 739 I CB 2.760 40.688 38.000 -0.120 0.000 1.242 739 I HN 0.437 nan 8.210 nan 0.000 0.430 740 D N 5.420 125.719 120.400 -0.169 0.000 2.343 740 D HA 0.053 4.693 4.640 -0.001 0.000 0.255 740 D C 0.860 177.065 176.300 -0.158 0.000 1.187 740 D CA 0.297 54.188 54.000 -0.182 0.000 0.875 740 D CB 1.414 42.126 40.800 -0.147 0.000 1.136 740 D HN 0.538 nan 8.370 nan 0.000 0.469 741 K N 3.540 123.865 120.400 -0.125 0.000 2.074 741 K HA -0.242 4.078 4.320 -0.001 0.000 0.209 741 K C 1.405 177.929 176.600 -0.127 0.000 1.048 741 K CA 1.415 57.635 56.287 -0.112 0.000 0.926 741 K CB 0.176 32.640 32.500 -0.060 0.000 0.713 741 K HN 0.321 nan 8.250 nan 0.000 0.444 742 K N 0.424 120.763 120.400 -0.102 0.000 2.103 742 K HA -0.124 4.196 4.320 -0.001 0.000 0.207 742 K C 2.042 178.546 176.600 -0.160 0.000 1.048 742 K CA 1.703 57.932 56.287 -0.096 0.000 0.930 742 K CB -0.146 32.321 32.500 -0.056 0.000 0.716 742 K HN 0.222 nan 8.250 nan 0.000 0.444 743 I N 0.922 121.374 120.570 -0.196 0.000 2.394 743 I HA -0.263 3.906 4.170 -0.001 0.000 0.251 743 I C 1.996 177.811 176.117 -0.503 0.000 1.136 743 I CA 1.121 62.236 61.300 -0.307 0.000 1.425 743 I CB -0.201 37.669 38.000 -0.216 0.000 1.079 743 I HN 0.141 nan 8.210 nan 0.000 0.425 744 L N -0.016 120.935 121.223 -0.453 0.000 2.109 744 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 744 L C 2.444 179.126 176.870 -0.313 0.000 1.086 744 L CA 1.089 55.552 54.840 -0.628 0.000 0.760 744 L CB -0.436 41.285 42.059 -0.563 0.000 0.910 744 L HN 0.252 nan 8.230 nan 0.000 0.437 745 L N -0.345 120.761 121.223 -0.194 0.000 2.109 745 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 745 L C 2.867 179.674 176.870 -0.106 0.000 1.086 745 L CA 0.917 55.706 54.840 -0.085 0.000 0.760 745 L CB -0.683 41.339 42.059 -0.060 0.000 0.910 745 L HN 0.211 nan 8.230 nan 0.000 0.437 746 A N 0.216 122.907 122.820 -0.215 0.000 1.930 746 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 746 A C 2.536 179.934 177.584 -0.310 0.000 1.175 746 A CA 1.542 53.450 52.037 -0.217 0.000 0.627 746 A CB -0.578 18.275 19.000 -0.245 0.000 0.815 746 A HN 0.373 nan 8.150 nan 0.000 0.443 747 A N -0.667 121.796 122.820 -0.596 0.000 1.972 747 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 747 A C 2.105 179.743 177.584 0.090 0.000 1.169 747 A CA 1.555 53.398 52.037 -0.324 0.000 0.635 747 A CB -0.490 18.361 19.000 -0.247 0.000 0.810 747 A HN 0.660 nan 8.150 nan 0.000 0.446 748 Q N -0.414 119.453 119.800 0.112 0.000 2.079 748 Q HA -0.140 4.199 4.340 -0.001 0.000 0.200 748 Q C 1.928 177.969 176.000 0.069 0.000 0.974 748 Q CA 1.561 57.434 55.803 0.117 0.000 0.840 748 Q CB -0.158 28.645 28.738 0.108 0.000 0.898 748 Q HN 0.656 nan 8.270 nan 0.000 0.430 749 K N 0.138 120.571 120.400 0.056 0.000 2.167 749 K HA 0.021 4.340 4.320 -0.001 0.000 0.203 749 K C 0.401 177.052 176.600 0.086 0.000 1.052 749 K CA 0.564 56.886 56.287 0.058 0.000 0.956 749 K CB 0.314 32.842 32.500 0.047 0.000 0.735 749 K HN 0.082 nan 8.250 nan 0.000 0.451 750 N N 0.670 119.452 118.700 0.137 0.000 2.791 750 N HA 0.146 4.885 4.740 -0.001 0.000 0.265 750 N C -2.514 173.140 175.510 0.240 0.000 1.580 750 N CA -1.110 52.042 53.050 0.170 0.000 0.809 750 N CB 1.591 40.192 38.487 0.190 0.000 1.178 750 N HN -0.147 nan 8.380 nan 0.000 0.499 751 P HA -0.204 nan 4.420 nan 0.000 0.215 751 P C 0.924 178.322 177.300 0.164 0.000 1.163 751 P CA 1.672 64.878 63.100 0.178 0.000 0.894 751 P CB 0.364 32.124 31.700 0.099 0.000 0.791 752 E N -0.467 119.793 120.200 0.101 0.000 2.331 752 E HA -0.171 4.178 4.350 -0.001 0.000 0.199 752 E C 1.526 178.136 176.600 0.017 0.000 1.008 752 E CA 1.081 57.514 56.400 0.055 0.000 0.843 752 E CB -0.940 28.780 29.700 0.033 0.000 0.761 752 E HN 0.245 nan 8.360 nan 0.000 0.507 753 K N -0.235 120.176 120.400 0.018 0.000 2.361 753 K HA 0.041 4.361 4.320 -0.001 0.000 0.196 753 K C 0.031 176.347 176.600 -0.474 0.000 1.039 753 K CA 0.516 56.675 56.287 -0.214 0.000 1.001 753 K CB 0.269 32.621 32.500 -0.247 0.000 0.795 753 K HN 0.315 nan 8.250 nan 0.000 0.495 754 Y N 0.715 121.039 120.300 0.040 0.000 2.516 754 Y HA 0.258 4.807 4.550 -0.001 0.000 0.341 754 Y C 1.264 177.201 175.900 0.062 0.000 0.912 754 Y CA -0.466 57.660 58.100 0.045 0.000 1.167 754 Y CB 0.441 38.931 38.460 0.051 0.000 1.195 754 Y HN -0.056 nan 8.280 nan 0.000 0.610 755 Q N 0.496 120.364 119.800 0.114 0.000 2.224 755 Q HA -0.159 4.180 4.340 -0.001 0.000 0.203 755 Q C 0.838 176.897 176.000 0.099 0.000 0.970 755 Q CA 1.661 57.524 55.803 0.099 0.000 0.865 755 Q CB 0.134 28.903 28.738 0.052 0.000 0.922 755 Q HN 0.644 nan 8.270 nan 0.000 0.445 756 D N -0.496 119.956 120.400 0.086 0.000 2.368 756 D HA -0.003 4.637 4.640 -0.001 0.000 0.218 756 D C 0.064 176.421 176.300 0.094 0.000 1.112 756 D CA -0.289 53.756 54.000 0.075 0.000 0.834 756 D CB -0.156 40.669 40.800 0.042 0.000 0.953 756 D HN 0.019 nan 8.370 nan 0.000 0.505 757 L N 1.621 122.929 121.223 0.140 0.000 2.456 757 L HA 0.218 4.557 4.340 -0.001 0.000 0.277 757 L C -0.658 176.279 176.870 0.113 0.000 1.124 757 L CA -0.192 54.722 54.840 0.122 0.000 0.880 757 L CB 0.030 42.173 42.059 0.140 0.000 1.192 757 L HN -0.054 nan 8.230 nan 0.000 0.463 758 I N 6.200 126.811 120.570 0.068 0.000 2.392 758 I HA 0.447 4.616 4.170 -0.001 0.000 0.295 758 I C -0.038 176.104 176.117 0.042 0.000 0.985 758 I CA -0.447 60.894 61.300 0.068 0.000 1.221 758 I CB 1.435 39.464 38.000 0.049 0.000 1.366 758 I HN 0.424 nan 8.210 nan 0.000 0.467 759 V N 6.461 126.412 119.914 0.063 0.000 3.007 759 V HA 0.533 4.652 4.120 -0.001 0.000 0.311 759 V C -0.596 175.495 176.094 -0.004 0.000 1.120 759 V CA -0.868 61.454 62.300 0.036 0.000 0.980 759 V CB 2.812 34.700 31.823 0.107 0.000 1.033 759 V HN 0.820 nan 8.190 nan 0.000 0.429 760 R N 3.151 123.637 120.500 -0.023 0.000 2.265 760 R HA 0.582 4.921 4.340 -0.001 0.000 0.314 760 R C -0.056 176.167 176.300 -0.130 0.000 1.053 760 R CA 0.343 56.398 56.100 -0.075 0.000 0.931 760 R CB 1.188 31.476 30.300 -0.020 0.000 1.024 760 R HN 0.597 nan 8.270 nan 0.000 0.457 761 V N 2.479 122.202 119.914 -0.319 0.000 2.693 761 V HA 0.473 4.593 4.120 -0.001 0.000 0.223 761 V C 0.079 176.065 176.094 -0.179 0.000 1.131 761 V CA 0.835 62.938 62.300 -0.330 0.000 1.177 761 V CB -0.208 31.204 31.823 -0.685 0.000 0.852 761 V HN 0.811 nan 8.190 nan 0.000 0.507 762 A N -0.947 121.761 122.820 -0.188 0.000 2.626 762 A HA 0.572 4.891 4.320 -0.001 0.000 0.293 762 A C 0.464 178.237 177.584 0.316 0.000 1.111 762 A CA 0.450 52.558 52.037 0.118 0.000 0.874 762 A CB 0.532 19.644 19.000 0.187 0.000 1.451 762 A HN 1.601 nan 8.150 nan 0.000 0.396 763 G N 0.717 109.670 108.800 0.256 0.000 2.176 763 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.253 763 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.253 763 G C -0.017 175.152 174.900 0.448 0.000 0.979 763 G CA 1.057 46.343 45.100 0.309 0.000 0.641 763 G HN 2.427 nan 8.290 nan 0.000 0.530 764 Y N -1.652 118.752 120.300 0.173 0.000 2.677 764 Y HA 0.760 5.310 4.550 -0.001 0.000 0.334 764 Y C -0.256 175.689 175.900 0.074 0.000 1.196 764 Y CA -0.789 57.379 58.100 0.112 0.000 1.059 764 Y CB 0.503 39.002 38.460 0.065 0.000 1.315 764 Y HN 0.223 nan 8.280 nan 0.000 0.455 765 S N 0.797 116.518 115.700 0.036 0.000 2.681 765 S HA 0.982 5.451 4.470 -0.001 0.000 0.299 765 S C -0.763 173.844 174.600 0.012 0.000 1.113 765 S CA -0.195 57.973 58.200 -0.053 0.000 1.013 765 S CB 1.567 64.780 63.200 0.022 0.000 1.076 765 S HN 1.119 nan 8.310 nan 0.000 0.534 766 A N 0.856 123.678 122.820 0.004 0.000 2.609 766 A HA 0.598 4.918 4.320 -0.001 0.000 0.291 766 A C -1.226 176.413 177.584 0.091 0.000 1.096 766 A CA -0.729 51.352 52.037 0.073 0.000 0.684 766 A CB 1.082 20.126 19.000 0.073 0.000 1.282 766 A HN 0.701 nan 8.150 nan 0.000 0.412 767 Q N 1.047 120.912 119.800 0.107 0.000 2.300 767 Q HA 0.197 4.536 4.340 -0.001 0.000 0.262 767 Q C 0.208 176.287 176.000 0.131 0.000 1.109 767 Q CA -0.263 55.616 55.803 0.127 0.000 0.905 767 Q CB -0.019 28.795 28.738 0.126 0.000 1.280 767 Q HN 0.725 nan 8.270 nan 0.000 0.426 768 F N 5.660 125.616 119.950 0.010 0.000 2.063 768 F HA -0.336 4.190 4.527 -0.001 0.000 0.298 768 F C 1.633 177.428 175.800 -0.009 0.000 1.105 768 F CA 2.488 60.482 58.000 -0.011 0.000 1.215 768 F CB -0.143 38.846 39.000 -0.019 0.000 0.972 768 F HN 0.804 nan 8.300 nan 0.000 0.483 769 I N -1.119 119.486 120.570 0.059 0.000 2.916 769 I HA -0.105 4.064 4.170 -0.001 0.000 0.267 769 I C 1.951 178.011 176.117 -0.094 0.000 1.263 769 I CA 1.376 62.650 61.300 -0.045 0.000 1.471 769 I CB -0.884 37.172 38.000 0.094 0.000 1.089 769 I HN 0.259 nan 8.210 nan 0.000 0.468 770 S N 0.803 116.455 115.700 -0.081 0.000 2.528 770 S HA 0.261 4.731 4.470 -0.001 0.000 0.219 770 S C 0.765 175.217 174.600 -0.247 0.000 0.985 770 S CA -0.351 57.774 58.200 -0.124 0.000 0.914 770 S CB -0.523 62.650 63.200 -0.046 0.000 0.776 770 S HN 0.431 nan 8.310 nan 0.000 0.526 771 L N 2.751 123.821 121.223 -0.255 0.000 2.349 771 L HA 0.334 4.673 4.340 -0.001 0.000 0.275 771 L C 0.631 177.344 176.870 -0.261 0.000 1.115 771 L CA -0.573 54.109 54.840 -0.263 0.000 0.820 771 L CB 0.557 42.439 42.059 -0.295 0.000 1.135 771 L HN 0.283 nan 8.230 nan 0.000 0.445 772 D N 2.753 123.037 120.400 -0.195 0.000 2.400 772 D HA -0.091 4.549 4.640 -0.001 0.000 0.238 772 D C 0.879 177.081 176.300 -0.163 0.000 1.157 772 D CA 0.103 54.011 54.000 -0.153 0.000 0.889 772 D CB 1.038 41.771 40.800 -0.112 0.000 1.199 772 D HN 0.520 nan 8.370 nan 0.000 0.436 773 K N 1.332 121.654 120.400 -0.130 0.000 2.074 773 K HA -0.219 4.100 4.320 -0.001 0.000 0.209 773 K C 2.045 178.595 176.600 -0.083 0.000 1.048 773 K CA 1.892 58.110 56.287 -0.114 0.000 0.926 773 K CB -0.147 32.312 32.500 -0.068 0.000 0.713 773 K HN 0.517 nan 8.250 nan 0.000 0.444 774 S N 0.623 116.287 115.700 -0.059 0.000 2.383 774 S HA -0.175 4.294 4.470 -0.001 0.000 0.229 774 S C 1.971 176.549 174.600 -0.036 0.000 1.030 774 S CA 1.468 59.648 58.200 -0.033 0.000 1.002 774 S CB -0.575 62.617 63.200 -0.014 0.000 0.829 774 S HN 0.367 nan 8.310 nan 0.000 0.467 775 I N 1.655 122.187 120.570 -0.062 0.000 2.500 775 I HA -0.124 4.045 4.170 -0.001 0.000 0.252 775 I C 2.960 179.039 176.117 -0.062 0.000 1.142 775 I CA 0.979 62.245 61.300 -0.058 0.000 1.451 775 I CB -0.421 37.536 38.000 -0.072 0.000 1.093 775 I HN 0.346 nan 8.210 nan 0.000 0.430 776 Q N 0.749 120.472 119.800 -0.128 0.000 2.050 776 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 776 Q C 1.948 177.982 176.000 0.056 0.000 0.980 776 Q CA 1.443 57.175 55.803 -0.118 0.000 0.840 776 Q CB -0.235 28.294 28.738 -0.348 0.000 0.898 776 Q HN 0.499 nan 8.270 nan 0.000 0.424 777 N N 0.913 119.622 118.700 0.016 0.000 2.166 777 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 777 N C 1.317 176.846 175.510 0.030 0.000 1.019 777 N CA 1.321 54.391 53.050 0.033 0.000 0.856 777 N CB -0.366 38.129 38.487 0.013 0.000 0.993 777 N HN 0.247 nan 8.380 nan 0.000 0.426 778 D N 0.821 121.232 120.400 0.019 0.000 2.097 778 D HA -0.036 4.603 4.640 -0.001 0.000 0.195 778 D C 1.982 178.298 176.300 0.027 0.000 0.989 778 D CA 0.736 54.747 54.000 0.019 0.000 0.827 778 D CB -0.109 40.697 40.800 0.011 0.000 0.966 778 D HN 0.209 nan 8.370 nan 0.000 0.456 779 I N 0.099 120.695 120.570 0.043 0.000 2.252 779 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 779 I C 2.357 178.498 176.117 0.041 0.000 1.102 779 I CA 0.647 61.977 61.300 0.050 0.000 1.385 779 I CB -0.165 37.892 38.000 0.093 0.000 1.064 779 I HN 0.083 nan 8.210 nan 0.000 0.414 780 I N 0.863 121.470 120.570 0.062 0.000 2.286 780 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 780 I C 2.598 178.717 176.117 0.002 0.000 1.115 780 I CA 1.310 62.626 61.300 0.028 0.000 1.392 780 I CB -0.426 37.604 38.000 0.050 0.000 1.065 780 I HN 0.176 nan 8.210 nan 0.000 0.418 781 A N 0.606 123.431 122.820 0.008 0.000 2.168 781 A HA -0.022 4.297 4.320 -0.001 0.000 0.215 781 A C 1.247 178.822 177.584 -0.015 0.000 1.152 781 A CA 0.230 52.265 52.037 -0.004 0.000 0.716 781 A CB -0.433 18.569 19.000 0.004 0.000 0.794 781 A HN 0.282 nan 8.150 nan 0.000 0.465 782 R N 0.502 120.994 120.500 -0.014 0.000 2.734 782 R HA 0.214 4.553 4.340 -0.001 0.000 0.266 782 R C -0.168 176.091 176.300 -0.068 0.000 1.044 782 R CA 0.194 56.278 56.100 -0.026 0.000 1.128 782 R CB 0.065 30.355 30.300 -0.018 0.000 1.010 782 R HN 0.214 nan 8.270 nan 0.000 0.461 783 T N 1.990 116.484 114.554 -0.099 0.000 2.928 783 T HA -0.029 4.320 4.350 -0.001 0.000 0.305 783 T C 0.243 174.778 174.700 -0.275 0.000 1.035 783 T CA 0.207 62.182 62.100 -0.209 0.000 1.145 783 T CB 0.385 69.081 68.868 -0.286 0.000 0.963 783 T HN 0.457 nan 8.240 nan 0.000 0.545 784 E N 2.720 122.746 120.200 -0.289 0.000 2.133 784 E HA 0.194 4.544 4.350 -0.001 0.000 0.274 784 E C -0.610 175.801 176.600 -0.314 0.000 0.930 784 E CA -0.723 55.544 56.400 -0.221 0.000 0.770 784 E CB 0.567 30.220 29.700 -0.077 0.000 1.104 784 E HN 0.641 nan 8.360 nan 0.000 0.403 785 H N 1.559 120.490 119.070 -0.232 0.000 2.615 785 H HA 0.501 5.057 4.556 -0.001 0.000 0.346 785 H C -0.095 175.274 175.328 0.068 0.000 1.200 785 H CA -0.600 55.315 56.048 -0.221 0.000 1.264 785 H CB 1.863 31.282 29.762 -0.571 0.000 1.699 785 H HN 0.409 nan 8.280 nan 0.000 0.567 786 V N -0.741 119.386 119.914 0.354 0.000 3.102 786 V HA 0.418 4.537 4.120 -0.001 0.000 0.312 786 V C 0.280 176.599 176.094 0.375 0.000 1.135 786 V CA -1.155 61.361 62.300 0.359 0.000 1.022 786 V CB 2.035 33.938 31.823 0.133 0.000 1.056 786 V HN 0.470 nan 8.190 nan 0.000 0.436 787 M N 0.000 119.711 119.600 0.185 0.000 2.572 787 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 787 M CA 0.000 55.338 55.300 0.063 0.000 0.988 787 M CB 0.000 32.532 32.600 -0.113 0.000 1.302 787 M HN 0.000 nan 8.290 nan 0.000 0.411