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 1rvy_1_B DATA FIRST_RESID 15 DATA SEQUENCE WSSHEQMLAQ PLKDSDAEVY DIIKKESNRQ RVGLELIASE NFASRAVLEA DATA SEQUENCE LGSCLNNKYS QGYPGQRYYG GTEHIDELET LCQKRALQAY GLDPQCWGVN DATA SEQUENCE VQPYSGSPAN FAVYTALVEP HGRIMGLDLP DGGHLTHGFM TDKKKISATS DATA SEQUENCE IFFESMAYKV NPDTGYIDYD RLEENARLFH PKLIIAGTSC YSRNLDYGRL DATA SEQUENCE RKIADENGAY LMADMAHISG LVVAGVVPSP FEHCHVVTTT THKTLRGCRA DATA SEQUENCE GMIFYRRGVR SVDXXXXKEI LYNLESLINS AVFPGLQGGP HNHAIAGVAV DATA SEQUENCE ALKQAMTPEF KEYQRQVVAN CRALSAALVE LGYKIVTGGS DNHLILVDLR DATA SEQUENCE SKGTDGGRAE KVLEACSIAC NKNTCPGDKS ALRPSGLRLG TPALTSRGLL DATA SEQUENCE EKDFQKVAHF IHRGIELTVQ IQDDTGPRAT LKEFKEKLAG DEKHQRAVRA DATA SEQUENCE LRQEVESFAA LFPLPGLPGF 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.544 176.519 0.042 0.000 1.175 15 W CA 0.000 57.364 57.345 0.031 0.000 1.226 15 W CB 0.000 29.461 29.460 0.002 0.000 1.126 16 S N 1.504 116.932 115.700 -0.453 0.000 2.348 16 S HA -0.134 4.336 4.470 0.000 0.000 0.219 16 S C 2.030 176.561 174.600 -0.114 0.000 1.033 16 S CA 2.567 60.647 58.200 -0.200 0.000 0.974 16 S CB -0.821 62.184 63.200 -0.326 0.000 0.868 16 S HN 0.398 nan 8.310 nan 0.000 0.459 17 S N 1.329 116.909 115.700 -0.201 0.000 2.419 17 S HA -0.233 4.237 4.470 0.000 0.000 0.235 17 S C 1.940 176.523 174.600 -0.028 0.000 1.019 17 S CA 1.432 59.562 58.200 -0.117 0.000 0.982 17 S CB -1.243 61.862 63.200 -0.158 0.000 0.789 17 S HN 0.773 nan 8.310 nan 0.000 0.490 18 H N 1.802 120.829 119.070 -0.072 0.000 2.362 18 H HA -0.151 4.405 4.556 0.000 0.000 0.294 18 H C 1.971 177.286 175.328 -0.022 0.000 1.113 18 H CA 2.334 58.367 56.048 -0.026 0.000 1.253 18 H CB -0.482 29.288 29.762 0.014 0.000 1.363 18 H HN 0.668 nan 8.280 nan 0.000 0.494 19 E N -0.080 120.241 120.200 0.202 0.000 2.106 19 E HA -0.165 4.185 4.350 0.000 0.000 0.192 19 E C 2.410 179.015 176.600 0.010 0.000 0.984 19 E CA 0.704 57.184 56.400 0.133 0.000 0.806 19 E CB 0.002 29.766 29.700 0.106 0.000 0.750 19 E HN 0.591 nan 8.360 nan 0.000 0.458 20 Q N 0.221 120.010 119.800 -0.019 0.000 2.297 20 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 20 Q C 2.057 178.016 176.000 -0.069 0.000 0.962 20 Q CA 0.743 56.520 55.803 -0.044 0.000 0.879 20 Q CB 0.028 28.734 28.738 -0.053 0.000 0.947 20 Q HN 0.305 nan 8.270 nan 0.000 0.462 21 M N -0.163 119.375 119.600 -0.105 0.000 2.200 21 M HA -0.103 4.377 4.480 0.000 0.000 0.265 21 M C 1.488 177.703 176.300 -0.142 0.000 1.066 21 M CA 1.115 56.331 55.300 -0.141 0.000 1.127 21 M CB 0.162 32.634 32.600 -0.213 0.000 1.379 21 M HN 0.301 nan 8.290 nan 0.000 0.420 22 L N -0.146 120.987 121.223 -0.150 0.000 2.376 22 L HA -0.066 4.274 4.340 0.000 0.000 0.219 22 L C 2.392 179.223 176.870 -0.066 0.000 1.133 22 L CA 0.688 55.462 54.840 -0.110 0.000 0.816 22 L CB -0.583 41.426 42.059 -0.083 0.000 0.933 22 L HN 0.399 nan 8.230 nan 0.000 0.449 23 A N -1.040 121.746 122.820 -0.056 0.000 1.909 23 A HA -0.072 4.248 4.320 0.000 0.000 0.210 23 A C 1.169 178.727 177.584 -0.043 0.000 1.273 23 A CA -0.140 51.871 52.037 -0.042 0.000 0.654 23 A CB -0.306 18.674 19.000 -0.034 0.000 0.945 23 A HN 0.317 nan 8.150 nan 0.000 0.471 24 Q N 1.061 120.832 119.800 -0.048 0.000 3.953 24 Q HA -0.096 4.244 4.340 0.000 0.000 0.399 24 Q C -2.120 173.856 176.000 -0.039 0.000 1.023 24 Q CA -0.563 55.212 55.803 -0.048 0.000 1.305 24 Q CB -0.204 28.500 28.738 -0.056 0.000 1.091 24 Q HN 0.278 nan 8.270 nan 0.000 0.491 25 P HA -0.176 nan 4.420 nan 0.000 0.270 25 P C 0.473 177.769 177.300 -0.005 0.000 1.216 25 P CA -0.182 62.908 63.100 -0.017 0.000 0.788 25 P CB 0.490 32.177 31.700 -0.023 0.000 0.883 26 L N 2.543 123.798 121.223 0.052 0.000 2.083 26 L HA -0.156 4.184 4.340 0.000 0.000 0.209 26 L C 2.137 179.035 176.870 0.047 0.000 1.083 26 L CA 1.922 56.826 54.840 0.107 0.000 0.752 26 L CB -0.997 41.216 42.059 0.256 0.000 0.899 26 L HN 0.289 nan 8.230 nan 0.000 0.433 27 K N -0.830 119.513 120.400 -0.095 0.000 2.103 27 K HA -0.195 4.125 4.320 0.000 0.000 0.207 27 K C 1.454 177.856 176.600 -0.330 0.000 1.048 27 K CA 1.939 57.877 56.287 -0.581 0.000 0.930 27 K CB -0.096 31.925 32.500 -0.798 0.000 0.716 27 K HN 0.503 nan 8.250 nan 0.000 0.444 28 D N -0.716 119.580 120.400 -0.174 0.000 2.269 28 D HA -0.079 4.562 4.640 0.000 0.000 0.220 28 D C 1.898 178.153 176.300 -0.075 0.000 0.962 28 D CA 0.705 54.633 54.000 -0.119 0.000 0.884 28 D CB -0.324 40.420 40.800 -0.093 0.000 1.023 28 D HN 0.121 nan 8.370 nan 0.000 0.484 29 S N -0.155 115.513 115.700 -0.054 0.000 2.383 29 S HA -0.162 4.308 4.470 0.000 0.000 0.229 29 S C 0.389 174.977 174.600 -0.020 0.000 1.030 29 S CA 1.199 59.377 58.200 -0.036 0.000 1.002 29 S CB 0.074 63.257 63.200 -0.029 0.000 0.829 29 S HN 0.085 nan 8.310 nan 0.000 0.467 30 D N -0.949 119.451 120.400 -0.001 0.000 2.337 30 D HA 0.502 5.143 4.640 0.000 0.000 0.238 30 D C 0.271 176.603 176.300 0.053 0.000 1.331 30 D CA 0.226 54.240 54.000 0.023 0.000 0.967 30 D CB 0.966 41.789 40.800 0.039 0.000 1.382 30 D HN 0.133 nan 8.370 nan 0.000 0.549 31 A N 2.981 125.817 122.820 0.026 0.000 1.969 31 A HA -0.109 4.211 4.320 0.000 0.000 0.218 31 A C 1.825 179.465 177.584 0.093 0.000 1.169 31 A CA 1.247 53.316 52.037 0.053 0.000 0.635 31 A CB -0.189 18.815 19.000 0.006 0.000 0.810 31 A HN 0.596 nan 8.150 nan 0.000 0.445 32 E N -0.298 119.934 120.200 0.055 0.000 2.077 32 E HA -0.133 4.217 4.350 0.000 0.000 0.193 32 E C 1.866 178.492 176.600 0.043 0.000 0.989 32 E CA 1.435 57.860 56.400 0.041 0.000 0.800 32 E CB -0.072 29.642 29.700 0.024 0.000 0.746 32 E HN 0.343 nan 8.360 nan 0.000 0.452 33 V N 0.309 120.258 119.914 0.058 0.000 2.323 33 V HA -0.235 3.885 4.120 0.000 0.000 0.244 33 V C 2.020 178.139 176.094 0.041 0.000 1.041 33 V CA 1.916 64.245 62.300 0.048 0.000 1.025 33 V CB -0.666 31.195 31.823 0.064 0.000 0.656 33 V HN 0.407 nan 8.190 nan 0.000 0.451 34 Y N 1.569 121.848 120.300 -0.034 0.000 2.114 34 Y HA -0.339 4.211 4.550 0.000 0.000 0.282 34 Y C 2.413 178.232 175.900 -0.134 0.000 1.165 34 Y CA 2.382 60.429 58.100 -0.089 0.000 1.148 34 Y CB -0.417 38.007 38.460 -0.060 0.000 0.972 34 Y HN 0.405 nan 8.280 nan 0.000 0.504 35 D N -0.018 120.408 120.400 0.044 0.000 2.123 35 D HA -0.221 4.419 4.640 0.000 0.000 0.196 35 D C 2.130 178.353 176.300 -0.129 0.000 0.992 35 D CA 1.903 55.883 54.000 -0.034 0.000 0.833 35 D CB -0.394 40.425 40.800 0.032 0.000 0.954 35 D HN 0.526 nan 8.370 nan 0.000 0.455 36 I N 0.107 120.619 120.570 -0.097 0.000 2.142 36 I HA -0.252 3.918 4.170 0.000 0.000 0.240 36 I C 2.445 178.470 176.117 -0.153 0.000 1.078 36 I CA 0.774 62.019 61.300 -0.092 0.000 1.343 36 I CB -0.218 37.754 38.000 -0.048 0.000 1.046 36 I HN 0.079 nan 8.210 nan 0.000 0.405 37 I N 0.407 120.845 120.570 -0.221 0.000 2.194 37 I HA -0.344 3.826 4.170 0.000 0.000 0.246 37 I C 2.589 178.479 176.117 -0.378 0.000 1.093 37 I CA 1.271 62.396 61.300 -0.291 0.000 1.355 37 I CB -0.450 37.298 38.000 -0.419 0.000 1.046 37 I HN 0.213 nan 8.210 nan 0.000 0.413 38 K N 1.234 121.337 120.400 -0.496 0.000 1.985 38 K HA -0.154 4.166 4.320 0.000 0.000 0.210 38 K C 2.021 178.490 176.600 -0.218 0.000 1.047 38 K CA 1.517 57.557 56.287 -0.412 0.000 0.932 38 K CB -0.477 31.778 32.500 -0.408 0.000 0.716 38 K HN 0.314 nan 8.250 nan 0.000 0.439 39 K N 0.750 121.053 120.400 -0.162 0.000 2.113 39 K HA -0.223 4.097 4.320 0.000 0.000 0.208 39 K C 2.075 178.629 176.600 -0.077 0.000 1.047 39 K CA 1.624 57.854 56.287 -0.096 0.000 0.928 39 K CB -0.064 32.395 32.500 -0.069 0.000 0.716 39 K HN 0.116 nan 8.250 nan 0.000 0.446 40 E N 0.923 121.072 120.200 -0.085 0.000 2.047 40 E HA -0.141 4.209 4.350 0.000 0.000 0.191 40 E C 1.991 178.568 176.600 -0.039 0.000 0.987 40 E CA 1.645 58.017 56.400 -0.047 0.000 0.799 40 E CB -0.371 29.306 29.700 -0.039 0.000 0.752 40 E HN 0.081 nan 8.360 nan 0.000 0.449 41 S N -0.267 115.387 115.700 -0.077 0.000 2.374 41 S HA -0.247 4.223 4.470 0.000 0.000 0.227 41 S C 1.958 176.523 174.600 -0.057 0.000 1.037 41 S CA 1.794 59.956 58.200 -0.064 0.000 1.024 41 S CB -0.626 62.506 63.200 -0.112 0.000 0.861 41 S HN 0.465 nan 8.310 nan 0.000 0.456 42 N N 0.792 119.451 118.700 -0.069 0.000 2.244 42 N HA -0.035 4.705 4.740 0.000 0.000 0.183 42 N C 1.964 177.455 175.510 -0.031 0.000 1.016 42 N CA 1.140 54.158 53.050 -0.054 0.000 0.866 42 N CB -0.246 38.206 38.487 -0.058 0.000 0.980 42 N HN 0.432 nan 8.380 nan 0.000 0.430 43 R N 0.325 120.813 120.500 -0.021 0.000 2.066 43 R HA -0.077 4.263 4.340 0.000 0.000 0.232 43 R C 1.967 178.279 176.300 0.020 0.000 1.131 43 R CA 1.501 57.600 56.100 -0.001 0.000 0.955 43 R CB -0.215 30.088 30.300 0.005 0.000 0.851 43 R HN 0.393 nan 8.270 nan 0.000 0.432 44 Q N -0.236 119.585 119.800 0.036 0.000 2.234 44 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 44 Q C 2.191 178.206 176.000 0.024 0.000 0.980 44 Q CA 1.641 57.495 55.803 0.086 0.000 0.869 44 Q CB -0.057 28.759 28.738 0.131 0.000 0.912 44 Q HN 0.309 nan 8.270 nan 0.000 0.436 45 R N 0.123 120.607 120.500 -0.028 0.000 2.055 45 R HA -0.106 4.234 4.340 0.000 0.000 0.228 45 R C 2.198 178.484 176.300 -0.023 0.000 1.143 45 R CA 1.555 57.621 56.100 -0.057 0.000 0.945 45 R CB -0.074 30.188 30.300 -0.063 0.000 0.841 45 R HN 0.283 nan 8.270 nan 0.000 0.429 46 V N -1.324 118.583 119.914 -0.011 0.000 3.141 46 V HA 0.232 4.352 4.120 0.000 0.000 0.265 46 V C 0.893 176.994 176.094 0.011 0.000 1.126 46 V CA 0.777 63.075 62.300 -0.002 0.000 1.141 46 V CB -0.651 31.167 31.823 -0.008 0.000 0.743 46 V HN 0.293 nan 8.190 nan 0.000 0.492 47 G N -0.113 108.702 108.800 0.024 0.000 2.502 47 G HA2 0.615 4.575 3.960 0.000 0.000 0.305 47 G HA3 0.615 4.575 3.960 0.000 0.000 0.305 47 G C -0.905 174.027 174.900 0.054 0.000 1.190 47 G CA -0.978 44.143 45.100 0.036 0.000 0.933 47 G HN 0.293 nan 8.290 nan 0.000 0.503 48 L N 1.339 122.596 121.223 0.056 0.000 2.301 48 L HA 0.274 4.614 4.340 0.000 0.000 0.278 48 L C -0.168 176.751 176.870 0.082 0.000 1.022 48 L CA -0.666 54.213 54.840 0.065 0.000 0.854 48 L CB 1.421 43.528 42.059 0.079 0.000 1.226 48 L HN 0.335 nan 8.230 nan 0.000 0.429 49 E N 4.337 124.603 120.200 0.110 0.000 2.104 49 E HA 0.157 4.507 4.350 0.000 0.000 0.278 49 E C 0.212 176.868 176.600 0.094 0.000 1.127 49 E CA 0.191 56.651 56.400 0.100 0.000 0.897 49 E CB 1.215 30.979 29.700 0.107 0.000 1.043 49 E HN 0.532 nan 8.360 nan 0.000 0.410 50 L N 4.270 125.546 121.223 0.087 0.000 3.069 50 L HA 0.321 4.661 4.340 0.000 0.000 0.271 50 L C 0.431 177.349 176.870 0.079 0.000 1.201 50 L CA -0.101 54.803 54.840 0.105 0.000 1.015 50 L CB 0.491 42.618 42.059 0.113 0.000 1.371 50 L HN 0.376 nan 8.230 nan 0.000 0.574 51 I N 0.737 121.344 120.570 0.061 0.000 2.436 51 I HA 0.026 4.196 4.170 0.000 0.000 0.289 51 I C 1.693 177.861 176.117 0.085 0.000 1.083 51 I CA -0.086 61.250 61.300 0.061 0.000 1.372 51 I CB 1.476 39.504 38.000 0.047 0.000 1.408 51 I HN 0.183 nan 8.210 nan 0.000 0.516 52 A N 4.867 127.759 122.820 0.119 0.000 1.971 52 A HA -0.252 4.068 4.320 0.000 0.000 0.222 52 A C 2.183 179.919 177.584 0.254 0.000 1.182 52 A CA 2.578 54.743 52.037 0.214 0.000 0.649 52 A CB -0.612 18.522 19.000 0.223 0.000 0.818 52 A HN 0.796 nan 8.150 nan 0.000 0.458 53 S N -0.604 115.200 115.700 0.172 0.000 2.593 53 S HA 0.121 4.591 4.470 0.000 0.000 0.217 53 S C 0.459 175.044 174.600 -0.025 0.000 0.966 53 S CA -0.148 58.042 58.200 -0.015 0.000 0.914 53 S CB 0.056 63.268 63.200 0.020 0.000 0.776 53 S HN 0.567 nan 8.310 nan 0.000 0.523 54 E N 2.216 122.405 120.200 -0.018 0.000 2.318 54 E HA 0.488 4.838 4.350 0.000 0.000 0.265 54 E C -0.143 176.346 176.600 -0.185 0.000 1.069 54 E CA -0.260 56.078 56.400 -0.104 0.000 0.893 54 E CB 0.729 30.345 29.700 -0.140 0.000 1.076 54 E HN 0.196 nan 8.360 nan 0.000 0.414 55 N N 0.032 118.524 118.700 -0.346 0.000 3.387 55 N HA 0.312 5.052 4.740 0.000 0.000 0.294 55 N C -1.877 173.243 175.510 -0.649 0.000 1.519 55 N CA -0.461 52.337 53.050 -0.420 0.000 0.875 55 N CB 0.721 39.152 38.487 -0.094 0.000 1.657 55 N HN 0.176 nan 8.380 nan 0.000 0.527 56 F N 1.057 121.030 119.950 0.039 0.000 2.539 56 F HA 0.655 5.182 4.527 0.000 0.000 0.328 56 F C 0.587 176.394 175.800 0.012 0.000 1.148 56 F CA -0.824 57.189 58.000 0.021 0.000 0.940 56 F CB 1.542 40.545 39.000 0.006 0.000 1.194 56 F HN 0.485 nan 8.300 nan 0.000 0.438 57 A N 2.109 125.038 122.820 0.181 0.000 2.425 57 A HA 0.520 4.840 4.320 0.000 0.000 0.249 57 A C 0.555 178.195 177.584 0.093 0.000 1.084 57 A CA -0.164 51.940 52.037 0.111 0.000 0.781 57 A CB 0.085 19.134 19.000 0.081 0.000 1.019 57 A HN 0.859 nan 8.150 nan 0.000 0.490 58 S N 1.665 117.401 115.700 0.060 0.000 2.596 58 S HA 0.099 4.569 4.470 0.000 0.000 0.260 58 S C 1.221 175.837 174.600 0.027 0.000 1.336 58 S CA 0.425 58.646 58.200 0.036 0.000 0.993 58 S CB 0.461 63.675 63.200 0.022 0.000 0.923 58 S HN 0.850 nan 8.310 nan 0.000 0.567 59 R N 0.519 121.027 120.500 0.014 0.000 2.115 59 R HA -0.038 4.302 4.340 0.000 0.000 0.230 59 R C 2.289 178.588 176.300 -0.002 0.000 1.111 59 R CA 1.239 57.342 56.100 0.005 0.000 0.976 59 R CB -1.046 29.253 30.300 -0.001 0.000 0.870 59 R HN 0.818 nan 8.270 nan 0.000 0.445 60 A N 0.525 123.345 122.820 -0.000 0.000 1.858 60 A HA -0.118 4.202 4.320 0.000 0.000 0.216 60 A C 2.245 179.827 177.584 -0.002 0.000 1.190 60 A CA 1.692 53.727 52.037 -0.004 0.000 0.617 60 A CB -0.730 18.268 19.000 -0.004 0.000 0.827 60 A HN 0.207 nan 8.150 nan 0.000 0.443 61 V N 0.275 120.193 119.914 0.005 0.000 2.255 61 V HA -0.291 3.829 4.120 0.000 0.000 0.247 61 V C 2.591 178.690 176.094 0.009 0.000 1.051 61 V CA 2.093 64.399 62.300 0.010 0.000 1.018 61 V CB -0.818 31.017 31.823 0.020 0.000 0.641 61 V HN 0.575 nan 8.190 nan 0.000 0.445 62 L N -0.360 120.868 121.223 0.009 0.000 2.079 62 L HA -0.211 4.129 4.340 0.000 0.000 0.210 62 L C 2.635 179.492 176.870 -0.022 0.000 1.081 62 L CA 1.660 56.499 54.840 -0.001 0.000 0.752 62 L CB -0.677 41.381 42.059 -0.002 0.000 0.896 62 L HN 0.463 nan 8.230 nan 0.000 0.433 63 E N 0.111 120.295 120.200 -0.026 0.000 2.110 63 E HA -0.210 4.141 4.350 0.000 0.000 0.193 63 E C 2.306 178.893 176.600 -0.021 0.000 0.988 63 E CA 1.098 57.475 56.400 -0.037 0.000 0.804 63 E CB -0.117 29.564 29.700 -0.033 0.000 0.745 63 E HN 0.513 nan 8.360 nan 0.000 0.458 64 A N 1.676 124.493 122.820 -0.004 0.000 1.883 64 A HA -0.179 4.141 4.320 0.000 0.000 0.217 64 A C 2.245 179.855 177.584 0.042 0.000 1.186 64 A CA 1.122 53.167 52.037 0.014 0.000 0.624 64 A CB -0.781 18.229 19.000 0.017 0.000 0.822 64 A HN 0.148 nan 8.150 nan 0.000 0.444 65 L N -0.717 120.536 121.223 0.051 0.000 2.189 65 L HA -0.176 4.164 4.340 0.000 0.000 0.214 65 L C 2.525 179.437 176.870 0.069 0.000 1.097 65 L CA 1.026 55.937 54.840 0.118 0.000 0.764 65 L CB -0.609 41.506 42.059 0.094 0.000 0.900 65 L HN 0.515 nan 8.230 nan 0.000 0.436 66 G N -0.723 108.074 108.800 -0.005 0.000 2.880 66 G HA2 -0.053 3.907 3.960 0.000 0.000 0.209 66 G HA3 -0.053 3.907 3.960 0.000 0.000 0.209 66 G C 0.887 175.751 174.900 -0.061 0.000 1.157 66 G CA 0.430 45.497 45.100 -0.054 0.000 0.779 66 G HN 0.448 nan 8.290 nan 0.000 0.539 67 S N -0.345 115.336 115.700 -0.032 0.000 2.592 67 S HA -0.016 4.454 4.470 0.000 0.000 0.256 67 S C 1.799 176.365 174.600 -0.056 0.000 1.369 67 S CA 0.182 58.363 58.200 -0.032 0.000 0.984 67 S CB 0.560 63.757 63.200 -0.004 0.000 0.919 67 S HN 0.702 nan 8.310 nan 0.000 0.576 68 C N -0.344 118.931 119.300 -0.042 0.000 2.539 68 C HA 0.287 4.747 4.460 0.000 0.000 0.271 68 C C 2.060 177.024 174.990 -0.043 0.000 1.412 68 C CA -0.514 58.475 59.018 -0.048 0.000 1.729 68 C CB -2.193 25.532 27.740 -0.025 0.000 1.739 68 C HN 0.774 nan 8.230 nan 0.000 0.570 69 L N 1.431 122.641 121.223 -0.021 0.000 2.450 69 L HA -0.081 4.259 4.340 0.000 0.000 0.224 69 L C 2.415 179.269 176.870 -0.027 0.000 1.149 69 L CA 0.850 55.699 54.840 0.014 0.000 0.816 69 L CB -0.783 41.318 42.059 0.070 0.000 0.932 69 L HN 0.501 nan 8.230 nan 0.000 0.449 70 N N 0.590 119.186 118.700 -0.174 0.000 2.244 70 N HA -0.145 4.595 4.740 0.000 0.000 0.183 70 N C 1.383 176.757 175.510 -0.227 0.000 1.016 70 N CA 1.184 54.009 53.050 -0.375 0.000 0.866 70 N CB -0.176 38.009 38.487 -0.503 0.000 0.980 70 N HN 0.575 nan 8.380 nan 0.000 0.430 71 N N 0.498 119.114 118.700 -0.139 0.000 2.188 71 N HA -0.108 4.632 4.740 0.000 0.000 0.184 71 N C 0.661 176.137 175.510 -0.057 0.000 1.018 71 N CA 0.556 53.550 53.050 -0.092 0.000 0.858 71 N CB 0.086 38.541 38.487 -0.053 0.000 0.989 71 N HN 0.016 nan 8.380 nan 0.000 0.426 72 K N 0.826 121.209 120.400 -0.027 0.000 2.276 72 K HA 0.088 4.408 4.320 0.000 0.000 0.283 72 K C -1.394 175.220 176.600 0.024 0.000 1.044 72 K CA -0.152 56.152 56.287 0.028 0.000 0.944 72 K CB 0.170 32.701 32.500 0.052 0.000 1.012 72 K HN -0.064 nan 8.250 nan 0.000 0.472 73 Y N 1.921 122.264 120.300 0.072 0.000 2.308 73 Y HA 0.240 4.790 4.550 0.000 0.000 0.329 73 Y C 0.201 176.159 175.900 0.096 0.000 1.111 73 Y CA 0.116 58.276 58.100 0.101 0.000 1.179 73 Y CB 1.386 39.969 38.460 0.204 0.000 1.201 73 Y HN 0.714 nan 8.280 nan 0.000 0.483 74 S N 2.141 117.962 115.700 0.202 0.000 2.701 74 S HA 0.264 4.734 4.470 0.000 0.000 0.228 74 S C -0.914 173.540 174.600 -0.244 0.000 0.948 74 S CA -1.022 57.186 58.200 0.013 0.000 1.129 74 S CB -0.403 62.797 63.200 -0.000 0.000 1.352 74 S HN 0.620 nan 8.310 nan 0.000 0.446 75 Q N 1.465 121.025 119.800 -0.400 0.000 2.354 75 Q HA 0.523 4.863 4.340 0.000 0.000 0.310 75 Q C 1.146 176.547 176.000 -0.998 0.000 1.104 75 Q CA 1.717 56.895 55.803 -1.043 0.000 0.968 75 Q CB -0.166 27.861 28.738 -1.185 0.000 1.251 75 Q HN 1.077 nan 8.270 nan 0.000 0.411 76 G N -0.318 107.671 108.800 -1.351 0.000 2.472 76 G HA2 -0.174 3.787 3.960 0.000 0.000 0.205 76 G HA3 -0.174 3.787 3.960 0.000 0.000 0.205 76 G C -1.491 172.976 174.900 -0.721 0.000 1.270 76 G CA -0.690 44.047 45.100 -0.605 0.000 0.974 76 G HN 0.501 nan 8.290 nan 0.000 0.542 77 Y N -0.514 119.775 120.300 -0.018 0.000 2.609 77 Y HA 0.531 5.081 4.550 0.000 0.000 0.342 77 Y C -1.482 174.426 175.900 0.014 0.000 1.058 77 Y CA -1.268 56.830 58.100 -0.003 0.000 1.055 77 Y CB 2.059 40.537 38.460 0.030 0.000 1.292 77 Y HN 0.379 nan 8.280 nan 0.000 0.476 78 P HA -0.252 nan 4.420 nan 0.000 0.219 78 P C 1.374 178.737 177.300 0.105 0.000 1.158 78 P CA 2.902 66.073 63.100 0.118 0.000 0.895 78 P CB 0.039 31.803 31.700 0.107 0.000 0.792 79 G N -1.542 107.329 108.800 0.118 0.000 2.422 79 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 79 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 79 G C 0.487 175.448 174.900 0.102 0.000 1.140 79 G CA 0.470 45.626 45.100 0.095 0.000 0.775 79 G HN 0.372 nan 8.290 nan 0.000 0.545 80 Q N 0.091 119.972 119.800 0.135 0.000 2.334 80 Q HA 0.399 4.739 4.340 0.000 0.000 0.249 80 Q C -1.288 174.802 176.000 0.151 0.000 0.909 80 Q CA -0.790 55.095 55.803 0.137 0.000 0.823 80 Q CB 1.520 30.346 28.738 0.147 0.000 1.353 80 Q HN 0.083 nan 8.270 nan 0.000 0.433 81 R N 1.951 122.523 120.500 0.119 0.000 2.828 81 R HA 0.397 4.737 4.340 0.000 0.000 0.264 81 R C 0.308 176.723 176.300 0.191 0.000 1.022 81 R CA -0.724 55.429 56.100 0.088 0.000 1.021 81 R CB 0.349 30.670 30.300 0.035 0.000 1.163 81 R HN 0.576 nan 8.270 nan 0.000 0.494 82 Y N -0.065 120.114 120.300 -0.201 0.000 2.337 82 Y HA 0.005 4.555 4.550 0.000 0.000 0.293 82 Y C 0.434 176.190 175.900 -0.241 0.000 1.123 82 Y CA 0.609 58.530 58.100 -0.299 0.000 1.201 82 Y CB -0.078 38.047 38.460 -0.559 0.000 1.011 82 Y HN 0.376 nan 8.280 nan 0.000 0.545 83 Y N -1.552 118.845 120.300 0.161 0.000 2.650 83 Y HA 0.658 5.208 4.550 0.000 0.000 0.331 83 Y C 0.952 176.886 175.900 0.057 0.000 1.082 83 Y CA -1.881 56.269 58.100 0.082 0.000 1.171 83 Y CB 0.134 38.633 38.460 0.065 0.000 1.326 83 Y HN -0.194 nan 8.280 nan 0.000 0.513 84 G N -1.107 107.827 108.800 0.224 0.000 2.583 84 G HA2 0.437 4.397 3.960 0.000 0.000 0.280 84 G HA3 0.437 4.397 3.960 0.000 0.000 0.280 84 G C 0.599 175.548 174.900 0.082 0.000 1.376 84 G CA -0.625 44.543 45.100 0.113 0.000 1.043 84 G HN 1.368 nan 8.290 nan 0.000 0.538 85 G N -1.605 107.211 108.800 0.027 0.000 2.203 85 G HA2 -0.223 3.737 3.960 0.000 0.000 0.263 85 G HA3 -0.223 3.737 3.960 0.000 0.000 0.263 85 G C 0.938 175.822 174.900 -0.027 0.000 1.012 85 G CA 1.706 46.799 45.100 -0.011 0.000 0.749 85 G HN 1.724 nan 8.290 nan 0.000 0.512 86 T N -2.639 111.910 114.554 -0.009 0.000 3.163 86 T HA 0.384 4.734 4.350 0.000 0.000 0.252 86 T C 1.431 176.100 174.700 -0.051 0.000 1.056 86 T CA 0.907 63.004 62.100 -0.005 0.000 0.947 86 T CB 0.577 69.465 68.868 0.032 0.000 1.016 86 T HN 0.536 nan 8.240 nan 0.000 0.554 87 E N 1.193 121.306 120.200 -0.146 0.000 2.108 87 E HA -0.330 4.020 4.350 0.000 0.000 0.203 87 E C 1.636 178.171 176.600 -0.109 0.000 1.022 87 E CA 1.882 58.169 56.400 -0.189 0.000 0.823 87 E CB -0.088 29.399 29.700 -0.354 0.000 0.744 87 E HN 0.695 nan 8.360 nan 0.000 0.456 88 H N -0.373 118.715 119.070 0.030 0.000 2.384 88 H HA -0.013 4.544 4.556 0.000 0.000 0.300 88 H C 2.269 177.613 175.328 0.028 0.000 1.057 88 H CA 0.859 56.922 56.048 0.026 0.000 1.370 88 H CB -0.197 29.577 29.762 0.021 0.000 1.417 88 H HN 0.221 nan 8.280 nan 0.000 0.527 89 I N 1.691 122.335 120.570 0.125 0.000 2.248 89 I HA -0.237 3.933 4.170 0.000 0.000 0.248 89 I C 1.625 177.784 176.117 0.070 0.000 1.107 89 I CA 1.192 62.542 61.300 0.084 0.000 1.373 89 I CB -0.815 37.219 38.000 0.057 0.000 1.055 89 I HN 0.185 nan 8.210 nan 0.000 0.418 90 D N 0.713 121.152 120.400 0.064 0.000 2.117 90 D HA -0.165 4.475 4.640 0.000 0.000 0.198 90 D C 2.070 178.411 176.300 0.068 0.000 0.982 90 D CA 1.007 55.044 54.000 0.061 0.000 0.828 90 D CB -0.140 40.691 40.800 0.051 0.000 0.967 90 D HN 0.476 nan 8.370 nan 0.000 0.464 91 E N 0.268 120.520 120.200 0.087 0.000 2.085 91 E HA -0.168 4.182 4.350 0.000 0.000 0.194 91 E C 2.073 178.709 176.600 0.060 0.000 0.994 91 E CA 0.400 56.848 56.400 0.079 0.000 0.801 91 E CB -0.056 29.707 29.700 0.104 0.000 0.743 91 E HN 0.091 nan 8.360 nan 0.000 0.453 92 L N 1.473 122.734 121.223 0.065 0.000 1.948 92 L HA -0.216 4.124 4.340 0.000 0.000 0.212 92 L C 2.360 179.255 176.870 0.041 0.000 1.074 92 L CA 2.139 57.008 54.840 0.048 0.000 0.753 92 L CB -0.536 41.555 42.059 0.052 0.000 0.888 92 L HN 0.049 nan 8.230 nan 0.000 0.432 93 E N -1.326 118.902 120.200 0.047 0.000 2.065 93 E HA -0.272 4.078 4.350 0.000 0.000 0.201 93 E C 1.916 178.542 176.600 0.044 0.000 1.016 93 E CA 2.304 58.732 56.400 0.046 0.000 0.818 93 E CB -0.225 29.512 29.700 0.061 0.000 0.749 93 E HN 0.608 nan 8.360 nan 0.000 0.453 94 T N 1.265 115.848 114.554 0.049 0.000 2.652 94 T HA -0.211 4.139 4.350 0.000 0.000 0.267 94 T C 1.792 176.510 174.700 0.030 0.000 1.039 94 T CA 1.412 63.537 62.100 0.042 0.000 1.153 94 T CB -0.453 68.442 68.868 0.045 0.000 0.863 94 T HN 0.178 nan 8.240 nan 0.000 0.428 95 L N 0.847 122.087 121.223 0.028 0.000 2.043 95 L HA -0.104 4.236 4.340 0.000 0.000 0.212 95 L C 2.683 179.561 176.870 0.013 0.000 1.075 95 L CA 1.624 56.475 54.840 0.018 0.000 0.752 95 L CB -1.070 40.999 42.059 0.016 0.000 0.891 95 L HN 0.417 nan 8.230 nan 0.000 0.432 96 C N -0.394 118.915 119.300 0.015 0.000 2.413 96 C HA -0.196 4.264 4.460 0.000 0.000 0.276 96 C C 2.760 177.756 174.990 0.010 0.000 1.248 96 C CA 1.438 60.461 59.018 0.009 0.000 1.742 96 C CB -0.865 26.880 27.740 0.008 0.000 2.017 96 C HN 0.718 nan 8.230 nan 0.000 0.481 97 Q N 0.067 119.874 119.800 0.012 0.000 2.083 97 Q HA -0.185 4.155 4.340 0.000 0.000 0.198 97 Q C 2.307 178.322 176.000 0.025 0.000 0.969 97 Q CA 1.526 57.336 55.803 0.011 0.000 0.838 97 Q CB -0.258 28.487 28.738 0.012 0.000 0.900 97 Q HN 0.673 nan 8.270 nan 0.000 0.436 98 K N 1.090 121.501 120.400 0.018 0.000 2.063 98 K HA -0.162 4.158 4.320 0.000 0.000 0.208 98 K C 2.003 178.606 176.600 0.006 0.000 1.048 98 K CA 1.185 57.479 56.287 0.011 0.000 0.928 98 K CB 0.106 32.610 32.500 0.007 0.000 0.713 98 K HN 0.061 nan 8.250 nan 0.000 0.442 99 R N -0.393 120.109 120.500 0.005 0.000 2.115 99 R HA -0.018 4.322 4.340 0.000 0.000 0.226 99 R C 2.300 178.613 176.300 0.021 0.000 1.100 99 R CA 0.916 57.011 56.100 -0.008 0.000 0.980 99 R CB -0.131 30.158 30.300 -0.019 0.000 0.875 99 R HN 0.215 nan 8.270 nan 0.000 0.445 100 A N 1.151 124.019 122.820 0.080 0.000 1.897 100 A HA -0.071 4.249 4.320 0.000 0.000 0.215 100 A C 2.104 179.852 177.584 0.273 0.000 1.181 100 A CA 0.958 53.134 52.037 0.232 0.000 0.620 100 A CB -0.353 18.768 19.000 0.203 0.000 0.821 100 A HN 0.142 nan 8.150 nan 0.000 0.443 101 L N -1.011 120.293 121.223 0.134 0.000 2.109 101 L HA -0.181 4.159 4.340 0.000 0.000 0.207 101 L C 2.867 179.678 176.870 -0.098 0.000 1.086 101 L CA 1.590 56.423 54.840 -0.013 0.000 0.760 101 L CB -0.607 41.449 42.059 -0.005 0.000 0.910 101 L HN 0.583 nan 8.230 nan 0.000 0.437 102 Q N 0.534 120.299 119.800 -0.058 0.000 2.030 102 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 102 Q C 2.321 178.233 176.000 -0.146 0.000 0.986 102 Q CA 2.078 57.827 55.803 -0.090 0.000 0.843 102 Q CB -0.137 28.562 28.738 -0.065 0.000 0.904 102 Q HN 0.483 nan 8.270 nan 0.000 0.420 103 A N -0.322 122.400 122.820 -0.163 0.000 1.986 103 A HA -0.196 4.124 4.320 0.000 0.000 0.220 103 A C 1.176 178.460 177.584 -0.500 0.000 1.171 103 A CA 1.470 53.318 52.037 -0.316 0.000 0.640 103 A CB -0.677 18.107 19.000 -0.360 0.000 0.811 103 A HN 0.611 nan 8.150 nan 0.000 0.451 104 Y N -0.745 119.345 120.300 -0.349 0.000 2.524 104 Y HA 0.382 4.932 4.550 0.000 0.000 0.266 104 Y C 1.629 177.228 175.900 -0.502 0.000 1.180 104 Y CA -0.099 57.690 58.100 -0.520 0.000 1.244 104 Y CB -0.140 37.704 38.460 -1.027 0.000 1.125 104 Y HN 0.396 nan 8.280 nan 0.000 0.524 105 G N 1.443 110.092 108.800 -0.253 0.000 2.356 105 G HA2 -0.294 3.666 3.960 0.000 0.000 0.296 105 G HA3 -0.294 3.666 3.960 0.000 0.000 0.296 105 G C -0.151 174.611 174.900 -0.230 0.000 1.022 105 G CA 0.100 45.083 45.100 -0.196 0.000 0.961 105 G HN 0.321 nan 8.290 nan 0.000 0.510 106 L N -0.050 120.988 121.223 -0.308 0.000 2.334 106 L HA 0.402 4.742 4.340 0.000 0.000 0.277 106 L C 0.342 177.167 176.870 -0.076 0.000 1.075 106 L CA -0.958 53.696 54.840 -0.310 0.000 0.804 106 L CB 1.263 42.941 42.059 -0.635 0.000 1.174 106 L HN 0.128 nan 8.230 nan 0.000 0.438 107 D N 5.197 125.633 120.400 0.060 0.000 2.325 107 D HA 0.105 4.745 4.640 0.000 0.000 0.251 107 D C -1.536 174.821 176.300 0.095 0.000 1.196 107 D CA -1.701 52.339 54.000 0.066 0.000 0.866 107 D CB 1.751 42.595 40.800 0.072 0.000 1.101 107 D HN 0.290 nan 8.370 nan 0.000 0.476 108 P HA -0.158 nan 4.420 nan 0.000 0.231 108 P C 0.652 177.982 177.300 0.049 0.000 1.154 108 P CA 0.962 64.094 63.100 0.052 0.000 0.762 108 P CB 0.371 32.089 31.700 0.030 0.000 0.790 109 Q N -2.025 117.802 119.800 0.045 0.000 2.319 109 Q HA 0.096 4.436 4.340 0.000 0.000 0.209 109 Q C 1.268 177.271 176.000 0.005 0.000 0.884 109 Q CA 0.337 56.157 55.803 0.029 0.000 0.938 109 Q CB 0.254 29.007 28.738 0.026 0.000 1.098 109 Q HN 0.303 nan 8.270 nan 0.000 0.517 110 C N -1.149 118.151 119.300 -0.001 0.000 3.580 110 C HA 0.253 4.713 4.460 0.000 0.000 0.337 110 C C -0.270 174.471 174.990 -0.415 0.000 1.412 110 C CA -0.584 58.340 59.018 -0.157 0.000 1.797 110 C CB 0.001 27.685 27.740 -0.092 0.000 2.470 110 C HN 0.407 nan 8.230 nan 0.000 0.691 111 W N 0.057 121.295 121.300 -0.104 0.000 3.127 111 W HA 0.585 5.246 4.660 0.000 0.000 0.330 111 W C 0.127 176.504 176.519 -0.237 0.000 1.187 111 W CA -0.168 57.072 57.345 -0.175 0.000 1.198 111 W CB 0.961 30.309 29.460 -0.186 0.000 1.408 111 W HN 0.117 nan 8.180 nan 0.000 0.529 112 G N 0.208 108.840 108.800 -0.280 0.000 2.714 112 G HA2 0.727 4.687 3.960 0.000 0.000 0.292 112 G HA3 0.727 4.687 3.960 0.000 0.000 0.292 112 G C -2.027 172.381 174.900 -0.820 0.000 1.308 112 G CA -0.957 43.804 45.100 -0.565 0.000 0.964 112 G HN 0.689 nan 8.290 nan 0.000 0.484 113 V N 0.212 119.853 119.914 -0.454 0.000 2.924 113 V HA 0.575 4.695 4.120 0.000 0.000 0.300 113 V C -1.682 174.368 176.094 -0.074 0.000 1.227 113 V CA -1.114 60.999 62.300 -0.312 0.000 0.954 113 V CB 2.090 33.710 31.823 -0.339 0.000 1.055 113 V HN 0.777 nan 8.190 nan 0.000 0.429 114 N N 4.103 122.793 118.700 -0.018 0.000 2.419 114 N HA 0.390 5.130 4.740 0.000 0.000 0.277 114 N C 0.159 175.622 175.510 -0.079 0.000 1.006 114 N CA 0.146 53.210 53.050 0.024 0.000 0.923 114 N CB 2.021 40.553 38.487 0.075 0.000 1.140 114 N HN 0.844 nan 8.380 nan 0.000 0.488 115 V N 1.260 121.153 119.914 -0.034 0.000 3.121 115 V HA 0.282 4.402 4.120 0.000 0.000 0.344 115 V C 1.057 177.129 176.094 -0.036 0.000 1.390 115 V CA 0.071 62.334 62.300 -0.062 0.000 1.177 115 V CB 0.059 31.854 31.823 -0.047 0.000 1.163 115 V HN 0.572 nan 8.190 nan 0.000 0.484 116 Q N 0.358 120.141 119.800 -0.028 0.000 2.396 116 Q HA 0.233 4.573 4.340 0.000 0.000 0.209 116 Q C -1.668 174.213 176.000 -0.198 0.000 0.906 116 Q CA -0.779 54.973 55.803 -0.084 0.000 0.927 116 Q CB -0.408 28.284 28.738 -0.076 0.000 1.069 116 Q HN 0.546 nan 8.270 nan 0.000 0.523 117 P HA -0.157 nan 4.420 nan 0.000 0.264 117 P C -0.371 176.838 177.300 -0.151 0.000 1.179 117 P CA 0.768 63.741 63.100 -0.212 0.000 0.763 117 P CB 0.274 31.912 31.700 -0.104 0.000 0.806 118 Y N 0.369 120.588 120.300 -0.135 0.000 2.457 118 Y HA 0.141 4.691 4.550 0.000 0.000 0.292 118 Y C 1.597 177.432 175.900 -0.107 0.000 1.125 118 Y CA 0.784 58.759 58.100 -0.208 0.000 1.254 118 Y CB 0.023 38.326 38.460 -0.262 0.000 1.012 118 Y HN 0.300 nan 8.280 nan 0.000 0.555 119 S N -2.667 113.094 115.700 0.101 0.000 2.694 119 S HA 0.471 4.941 4.470 0.000 0.000 0.273 119 S C 1.073 175.729 174.600 0.094 0.000 1.180 119 S CA -0.263 58.001 58.200 0.106 0.000 0.864 119 S CB 0.237 63.499 63.200 0.104 0.000 1.198 119 S HN 0.192 nan 8.310 nan 0.000 0.499 120 G N 1.476 110.351 108.800 0.124 0.000 2.453 120 G HA2 -0.108 3.852 3.960 0.000 0.000 0.215 120 G HA3 -0.108 3.852 3.960 0.000 0.000 0.215 120 G C 1.463 176.404 174.900 0.068 0.000 1.201 120 G CA 1.509 46.647 45.100 0.064 0.000 0.784 120 G HN 0.681 nan 8.290 nan 0.000 0.545 121 S N 1.952 117.720 115.700 0.113 0.000 2.365 121 S HA -0.108 4.363 4.470 0.000 0.000 0.225 121 S C 0.205 174.887 174.600 0.137 0.000 1.039 121 S CA 1.824 60.121 58.200 0.162 0.000 1.033 121 S CB -1.037 62.278 63.200 0.192 0.000 0.887 121 S HN 0.315 nan 8.310 nan 0.000 0.447 122 P HA -0.022 nan 4.420 nan 0.000 0.216 122 P C 1.517 178.843 177.300 0.043 0.000 1.150 122 P CA 1.412 64.557 63.100 0.075 0.000 0.837 122 P CB -0.128 31.598 31.700 0.043 0.000 0.786 123 A N -0.073 122.748 122.820 0.003 0.000 1.883 123 A HA -0.254 4.066 4.320 0.000 0.000 0.217 123 A C 2.147 179.667 177.584 -0.106 0.000 1.186 123 A CA 2.035 54.045 52.037 -0.045 0.000 0.624 123 A CB -1.537 17.438 19.000 -0.042 0.000 0.822 123 A HN 0.128 nan 8.150 nan 0.000 0.444 124 N N -0.914 117.711 118.700 -0.124 0.000 2.069 124 N HA -0.162 4.578 4.740 0.000 0.000 0.191 124 N C 1.470 176.513 175.510 -0.779 0.000 1.031 124 N CA 1.604 54.408 53.050 -0.411 0.000 0.852 124 N CB -0.700 37.664 38.487 -0.206 0.000 1.018 124 N HN 0.512 nan 8.380 nan 0.000 0.423 125 F N 1.661 121.371 119.950 -0.400 0.000 2.171 125 F HA -0.116 4.411 4.527 0.000 0.000 0.300 125 F C 2.248 177.979 175.800 -0.115 0.000 1.090 125 F CA 1.149 59.060 58.000 -0.148 0.000 1.293 125 F CB -0.265 38.796 39.000 0.101 0.000 1.013 125 F HN 0.042 nan 8.300 nan 0.000 0.486 126 A N -0.442 122.397 122.820 0.031 0.000 1.883 126 A HA -0.168 4.152 4.320 0.000 0.000 0.217 126 A C 2.297 179.807 177.584 -0.122 0.000 1.186 126 A CA 2.077 54.110 52.037 -0.006 0.000 0.624 126 A CB -1.336 17.652 19.000 -0.020 0.000 0.822 126 A HN 0.225 nan 8.150 nan 0.000 0.444 127 V N -0.985 118.791 119.914 -0.229 0.000 2.295 127 V HA -0.275 3.845 4.120 0.000 0.000 0.246 127 V C 2.451 178.422 176.094 -0.204 0.000 1.049 127 V CA 1.955 64.118 62.300 -0.228 0.000 1.024 127 V CB -1.191 30.488 31.823 -0.240 0.000 0.648 127 V HN 0.637 nan 8.190 nan 0.000 0.447 128 Y N 1.068 121.185 120.300 -0.305 0.000 2.128 128 Y HA -0.203 4.347 4.550 0.000 0.000 0.284 128 Y C 2.858 178.518 175.900 -0.400 0.000 1.154 128 Y CA 1.423 59.167 58.100 -0.594 0.000 1.149 128 Y CB -1.903 35.897 38.460 -1.100 0.000 0.976 128 Y HN 0.215 nan 8.280 nan 0.000 0.505 129 T N -0.151 114.361 114.554 -0.070 0.000 2.929 129 T HA -0.108 4.243 4.350 0.000 0.000 0.271 129 T C 2.045 176.751 174.700 0.010 0.000 1.085 129 T CA 1.222 63.351 62.100 0.049 0.000 1.125 129 T CB -0.381 68.493 68.868 0.010 0.000 0.874 129 T HN 0.447 nan 8.240 nan 0.000 0.494 130 A N 0.372 123.160 122.820 -0.053 0.000 1.956 130 A HA 0.360 4.680 4.320 0.000 0.000 0.212 130 A C 2.038 179.568 177.584 -0.089 0.000 1.188 130 A CA 0.420 52.412 52.037 -0.074 0.000 0.675 130 A CB -0.107 18.825 19.000 -0.114 0.000 0.845 130 A HN 0.452 nan 8.150 nan 0.000 0.455 131 L N -1.239 119.911 121.223 -0.122 0.000 2.537 131 L HA 0.098 4.438 4.340 0.000 0.000 0.224 131 L C 2.021 178.876 176.870 -0.024 0.000 1.065 131 L CA 0.210 54.964 54.840 -0.142 0.000 0.860 131 L CB 0.036 41.881 42.059 -0.357 0.000 1.086 131 L HN 0.166 nan 8.230 nan 0.000 0.482 132 V N -0.914 118.974 119.914 -0.044 0.000 2.391 132 V HA 0.089 4.209 4.120 0.000 0.000 0.237 132 V C 0.226 176.388 176.094 0.112 0.000 1.046 132 V CA 0.398 62.688 62.300 -0.017 0.000 1.053 132 V CB -0.152 31.512 31.823 -0.266 0.000 0.704 132 V HN 0.446 nan 8.190 nan 0.000 0.475 133 E N -1.290 119.059 120.200 0.247 0.000 8.471 133 E HA -0.106 4.245 4.350 0.000 0.000 0.493 133 E C -2.774 174.013 176.600 0.311 0.000 1.181 133 E CA -0.419 56.138 56.400 0.260 0.000 2.199 133 E CB -1.026 28.750 29.700 0.126 0.000 0.985 133 E HN 0.290 nan 8.360 nan 0.000 0.262 134 P HA -0.157 nan 4.420 nan 0.000 0.257 134 P C -0.295 176.976 177.300 -0.049 0.000 1.153 134 P CA 1.147 64.130 63.100 -0.194 0.000 0.762 134 P CB 0.054 31.663 31.700 -0.152 0.000 0.743 135 H N -0.870 118.248 119.070 0.079 0.000 3.415 135 H HA -0.153 4.403 4.556 0.000 0.000 0.213 135 H C 1.018 176.431 175.328 0.142 0.000 1.091 135 H CA 1.153 57.264 56.048 0.105 0.000 1.182 135 H CB -2.009 27.781 29.762 0.047 0.000 1.160 135 H HN 0.626 nan 8.280 nan 0.000 0.319 136 G N 1.033 110.009 108.800 0.292 0.000 2.554 136 G HA2 0.302 4.262 3.960 0.000 0.000 0.238 136 G HA3 0.302 4.262 3.960 0.000 0.000 0.238 136 G C 0.394 175.364 174.900 0.116 0.000 1.259 136 G CA -0.482 44.719 45.100 0.168 0.000 0.843 136 G HN 0.200 nan 8.290 nan 0.000 0.582 137 R N 0.123 120.616 120.500 -0.012 0.000 2.410 137 R HA 0.485 4.825 4.340 0.000 0.000 0.288 137 R C -0.273 176.052 176.300 0.042 0.000 1.051 137 R CA -0.138 55.929 56.100 -0.055 0.000 1.021 137 R CB 1.102 31.085 30.300 -0.529 0.000 1.032 137 R HN 0.384 nan 8.270 nan 0.000 0.481 138 I N 3.045 123.720 120.570 0.175 0.000 2.619 138 I HA 0.365 4.535 4.170 0.000 0.000 0.292 138 I C -0.418 175.815 176.117 0.194 0.000 1.100 138 I CA -0.673 60.677 61.300 0.083 0.000 1.043 138 I CB 2.208 40.094 38.000 -0.191 0.000 1.239 138 I HN 0.368 nan 8.210 nan 0.000 0.420 139 M N 4.034 123.726 119.600 0.153 0.000 2.393 139 M HA 0.717 5.197 4.480 0.000 0.000 0.316 139 M C -0.152 176.161 176.300 0.022 0.000 1.087 139 M CA -0.453 54.914 55.300 0.112 0.000 0.937 139 M CB 2.434 35.174 32.600 0.233 0.000 1.668 139 M HN 0.776 nan 8.290 nan 0.000 0.438 140 G N 1.575 110.252 108.800 -0.204 0.000 2.684 140 G HA2 0.577 4.537 3.960 0.000 0.000 0.290 140 G HA3 0.577 4.537 3.960 0.000 0.000 0.290 140 G C -2.077 172.261 174.900 -0.937 0.000 1.425 140 G CA -0.858 44.010 45.100 -0.386 0.000 0.822 140 G HN 0.589 nan 8.290 nan 0.000 0.482 141 L N 1.063 121.789 121.223 -0.828 0.000 2.559 141 L HA 0.279 4.619 4.340 0.000 0.000 0.274 141 L C 0.227 176.884 176.870 -0.355 0.000 1.205 141 L CA -0.448 53.963 54.840 -0.715 0.000 0.907 141 L CB 0.410 42.311 42.059 -0.263 0.000 1.153 141 L HN 0.499 nan 8.230 nan 0.000 0.490 142 D N 3.304 123.516 120.400 -0.312 0.000 2.458 142 D HA -0.013 4.627 4.640 0.000 0.000 0.243 142 D C 1.174 177.410 176.300 -0.107 0.000 1.146 142 D CA -0.075 53.831 54.000 -0.157 0.000 0.877 142 D CB 0.811 41.544 40.800 -0.111 0.000 1.176 142 D HN 0.525 nan 8.370 nan 0.000 0.461 143 L N 6.579 127.754 121.223 -0.080 0.000 1.976 143 L HA -0.165 4.176 4.340 0.000 0.000 0.223 143 L C -0.503 176.310 176.870 -0.094 0.000 1.081 143 L CA 1.983 56.755 54.840 -0.113 0.000 0.784 143 L CB -1.620 40.332 42.059 -0.178 0.000 0.896 143 L HN 0.639 nan 8.230 nan 0.000 0.438 144 P HA -0.143 nan 4.420 nan 0.000 0.226 144 P C 0.215 177.492 177.300 -0.040 0.000 1.146 144 P CA 1.421 64.492 63.100 -0.049 0.000 0.773 144 P CB -0.016 31.668 31.700 -0.027 0.000 0.772 145 D N -1.342 119.030 120.400 -0.047 0.000 2.349 145 D HA 0.257 4.897 4.640 0.000 0.000 0.214 145 D C 1.420 177.699 176.300 -0.034 0.000 1.063 145 D CA 0.709 54.688 54.000 -0.034 0.000 0.847 145 D CB -0.051 40.722 40.800 -0.045 0.000 0.933 145 D HN 0.170 nan 8.370 nan 0.000 0.513 146 G N -0.428 108.342 108.800 -0.049 0.000 2.148 146 G HA2 -0.066 3.894 3.960 0.000 0.000 0.157 146 G HA3 -0.066 3.894 3.960 0.000 0.000 0.157 146 G C 0.641 175.510 174.900 -0.053 0.000 1.012 146 G CA -0.326 44.751 45.100 -0.038 0.000 0.677 146 G HN 0.512 nan 8.290 nan 0.000 0.506 147 G N -0.993 107.763 108.800 -0.074 0.000 2.522 147 G HA2 0.593 4.553 3.960 0.000 0.000 0.304 147 G HA3 0.593 4.553 3.960 0.000 0.000 0.304 147 G C -0.532 174.309 174.900 -0.098 0.000 1.210 147 G CA -0.363 44.709 45.100 -0.048 0.000 0.960 147 G HN 0.595 nan 8.290 nan 0.000 0.497 148 H N -0.690 118.160 119.070 -0.366 0.000 2.499 148 H HA 0.415 4.971 4.556 0.000 0.000 0.340 148 H C 1.575 176.730 175.328 -0.288 0.000 1.148 148 H CA -0.816 54.975 56.048 -0.429 0.000 1.215 148 H CB 1.293 30.658 29.762 -0.661 0.000 1.529 148 H HN 0.212 nan 8.280 nan 0.000 0.510 149 L N 1.488 122.267 121.223 -0.740 0.000 2.010 149 L HA -0.276 4.064 4.340 0.000 0.000 0.219 149 L C 2.325 179.207 176.870 0.020 0.000 1.077 149 L CA 2.182 56.825 54.840 -0.328 0.000 0.773 149 L CB -1.062 40.780 42.059 -0.361 0.000 0.892 149 L HN 0.831 nan 8.230 nan 0.000 0.436 150 T N -4.286 110.360 114.554 0.154 0.000 3.026 150 T HA -0.227 4.123 4.350 0.000 0.000 0.271 150 T C 1.223 176.278 174.700 0.591 0.000 1.149 150 T CA 1.379 63.758 62.100 0.466 0.000 1.088 150 T CB -0.760 68.455 68.868 0.578 0.000 0.857 150 T HN 0.559 nan 8.240 nan 0.000 0.551 151 H N 0.786 120.016 119.070 0.266 0.000 2.551 151 H HA 0.483 5.039 4.556 0.000 0.000 0.271 151 H C 1.104 176.465 175.328 0.055 0.000 0.984 151 H CA -0.439 55.702 56.048 0.154 0.000 1.164 151 H CB 0.341 30.161 29.762 0.097 0.000 1.437 151 H HN 0.617 nan 8.280 nan 0.000 0.550 152 G N 1.234 110.165 108.800 0.219 0.000 2.931 152 G HA2 0.040 4.000 3.960 0.000 0.000 0.675 152 G HA3 0.040 4.000 3.960 0.000 0.000 0.675 152 G C -1.688 173.348 174.900 0.227 0.000 1.339 152 G CA -0.953 44.245 45.100 0.162 0.000 0.866 152 G HN 0.159 nan 8.290 nan 0.000 0.616 153 F N 4.350 124.308 119.950 0.013 0.000 3.240 153 F HA 0.712 5.239 4.527 0.000 0.000 0.370 153 F C -0.504 175.291 175.800 -0.009 0.000 1.271 153 F CA -0.864 57.127 58.000 -0.015 0.000 1.224 153 F CB 0.960 39.943 39.000 -0.030 0.000 1.624 153 F HN 0.987 nan 8.300 nan 0.000 0.658 154 M N 3.595 122.979 119.600 -0.359 0.000 2.622 154 M HA 0.824 5.304 4.480 0.000 0.000 0.276 154 M C -1.205 174.913 176.300 -0.303 0.000 1.265 154 M CA -0.551 54.494 55.300 -0.426 0.000 0.850 154 M CB 2.362 34.846 32.600 -0.194 0.000 1.720 154 M HN 0.434 nan 8.290 nan 0.000 0.465 155 T N -3.239 111.163 114.554 -0.254 0.000 2.804 155 T HA 0.407 4.757 4.350 0.000 0.000 0.272 155 T C 0.490 175.133 174.700 -0.095 0.000 0.986 155 T CA 0.070 62.085 62.100 -0.141 0.000 0.999 155 T CB 0.801 69.594 68.868 -0.125 0.000 1.307 155 T HN 0.798 nan 8.240 nan 0.000 0.586 156 D N -0.544 119.819 120.400 -0.063 0.000 2.347 156 D HA -0.011 4.629 4.640 0.000 0.000 0.215 156 D C 1.110 177.383 176.300 -0.046 0.000 0.976 156 D CA 0.612 54.585 54.000 -0.045 0.000 0.884 156 D CB 0.028 40.809 40.800 -0.031 0.000 0.915 156 D HN 0.638 nan 8.370 nan 0.000 0.526 157 K N -0.824 119.541 120.400 -0.059 0.000 2.450 157 K HA 0.185 4.505 4.320 0.000 0.000 0.206 157 K C 0.470 177.029 176.600 -0.068 0.000 1.148 157 K CA -0.159 56.096 56.287 -0.053 0.000 1.014 157 K CB 1.562 34.037 32.500 -0.043 0.000 0.966 157 K HN -0.074 nan 8.250 nan 0.000 0.566 158 K N 1.321 121.660 120.400 -0.100 0.000 2.546 158 K HA 0.260 4.580 4.320 0.000 0.000 0.264 158 K C -1.665 174.831 176.600 -0.173 0.000 0.937 158 K CA -0.621 55.594 56.287 -0.120 0.000 0.833 158 K CB 1.823 34.254 32.500 -0.115 0.000 1.378 158 K HN -0.214 nan 8.250 nan 0.000 0.432 159 K N 3.949 124.256 120.400 -0.155 0.000 2.281 159 K HA 0.253 4.573 4.320 0.000 0.000 0.272 159 K C 0.367 176.854 176.600 -0.188 0.000 1.048 159 K CA -0.272 55.911 56.287 -0.173 0.000 0.898 159 K CB 1.015 33.441 32.500 -0.123 0.000 1.128 159 K HN 0.407 nan 8.250 nan 0.000 0.460 160 I N 0.718 121.119 120.570 -0.281 0.000 2.385 160 I HA -0.110 4.060 4.170 0.000 0.000 0.244 160 I C 1.215 177.336 176.117 0.007 0.000 1.089 160 I CA 0.663 61.855 61.300 -0.180 0.000 1.410 160 I CB 0.037 37.840 38.000 -0.329 0.000 1.117 160 I HN 0.467 nan 8.210 nan 0.000 0.429 161 S N 0.803 116.558 115.700 0.091 0.000 2.572 161 S HA 0.294 4.764 4.470 0.000 0.000 0.279 161 S C 1.485 176.200 174.600 0.191 0.000 1.341 161 S CA 0.001 58.328 58.200 0.211 0.000 1.043 161 S CB 1.080 64.458 63.200 0.296 0.000 0.887 161 S HN 0.311 nan 8.310 nan 0.000 0.516 162 A N 4.261 127.245 122.820 0.275 0.000 1.940 162 A HA -0.062 4.258 4.320 0.000 0.000 0.219 162 A C 2.249 180.207 177.584 0.623 0.000 1.176 162 A CA 2.417 54.701 52.037 0.411 0.000 0.631 162 A CB -1.724 17.530 19.000 0.422 0.000 0.814 162 A HN 0.910 nan 8.150 nan 0.000 0.446 163 T N 0.122 115.056 114.554 0.633 0.000 2.684 163 T HA -0.119 4.231 4.350 0.000 0.000 0.267 163 T C 2.010 176.950 174.700 0.401 0.000 1.036 163 T CA 1.816 64.286 62.100 0.617 0.000 1.148 163 T CB -0.349 68.751 68.868 0.388 0.000 0.863 163 T HN 0.455 nan 8.240 nan 0.000 0.436 164 S N 0.357 116.194 115.700 0.228 0.000 2.603 164 S HA 0.207 4.677 4.470 0.000 0.000 0.229 164 S C 1.711 176.319 174.600 0.012 0.000 0.972 164 S CA 0.291 58.557 58.200 0.109 0.000 0.935 164 S CB -0.297 62.927 63.200 0.041 0.000 0.769 164 S HN 0.414 nan 8.310 nan 0.000 0.536 165 I N -0.773 119.757 120.570 -0.067 0.000 2.685 165 I HA 0.080 4.250 4.170 0.000 0.000 0.251 165 I C 1.044 176.883 176.117 -0.463 0.000 1.102 165 I CA 0.830 61.926 61.300 -0.339 0.000 1.442 165 I CB -0.049 37.572 38.000 -0.631 0.000 1.194 165 I HN 0.216 nan 8.210 nan 0.000 0.448 166 F N 0.264 120.110 119.950 -0.173 0.000 2.743 166 F HA 0.177 4.704 4.527 0.000 0.000 0.297 166 F C 0.380 175.638 175.800 -0.904 0.000 1.131 166 F CA 0.306 57.968 58.000 -0.564 0.000 1.426 166 F CB -0.187 38.429 39.000 -0.639 0.000 1.116 166 F HN -0.151 nan 8.300 nan 0.000 0.583 167 F N -0.980 118.996 119.950 0.044 0.000 2.664 167 F HA 0.492 5.019 4.527 0.000 0.000 0.329 167 F C -0.023 175.810 175.800 0.054 0.000 1.090 167 F CA -1.514 56.487 58.000 0.002 0.000 0.978 167 F CB 0.739 39.706 39.000 -0.056 0.000 1.378 167 F HN -0.446 nan 8.300 nan 0.000 0.495 168 E N 1.348 121.730 120.200 0.303 0.000 2.063 168 E HA 0.301 4.651 4.350 0.000 0.000 0.265 168 E C -0.920 175.877 176.600 0.328 0.000 0.919 168 E CA -0.344 56.217 56.400 0.269 0.000 0.756 168 E CB 1.387 31.231 29.700 0.240 0.000 1.120 168 E HN 0.558 nan 8.360 nan 0.000 0.414 169 S N 2.619 118.465 115.700 0.242 0.000 2.509 169 S HA 0.756 5.227 4.470 0.000 0.000 0.297 169 S C 0.033 174.653 174.600 0.033 0.000 1.118 169 S CA -0.870 57.432 58.200 0.170 0.000 1.074 169 S CB 1.687 64.936 63.200 0.081 0.000 1.038 169 S HN 0.481 nan 8.310 nan 0.000 0.498 170 M N 3.026 122.532 119.600 -0.156 0.000 2.238 170 M HA 0.616 5.096 4.480 0.000 0.000 0.278 170 M C -0.877 175.246 176.300 -0.294 0.000 1.040 170 M CA -0.466 54.582 55.300 -0.420 0.000 0.969 170 M CB 1.788 33.687 32.600 -1.169 0.000 1.694 170 M HN 1.008 nan 8.290 nan 0.000 0.472 171 A N 3.446 126.135 122.820 -0.218 0.000 2.271 171 A HA 0.755 5.075 4.320 0.000 0.000 0.288 171 A C -1.457 176.020 177.584 -0.178 0.000 1.094 171 A CA -0.328 51.564 52.037 -0.243 0.000 0.828 171 A CB 0.433 19.308 19.000 -0.208 0.000 1.091 171 A HN 0.844 nan 8.150 nan 0.000 0.493 172 Y N -1.086 119.151 120.300 -0.105 0.000 2.468 172 Y HA 0.747 5.297 4.550 0.000 0.000 0.342 172 Y C -0.110 175.721 175.900 -0.115 0.000 1.021 172 Y CA -1.329 56.701 58.100 -0.117 0.000 1.079 172 Y CB 0.985 39.368 38.460 -0.129 0.000 1.226 172 Y HN 0.633 nan 8.280 nan 0.000 0.460 173 K N 1.546 122.018 120.400 0.120 0.000 2.416 173 K HA 0.761 5.081 4.320 0.000 0.000 0.244 173 K C -0.824 175.808 176.600 0.053 0.000 1.044 173 K CA -1.150 55.167 56.287 0.049 0.000 0.972 173 K CB 1.849 34.356 32.500 0.012 0.000 1.286 173 K HN 0.663 nan 8.250 nan 0.000 0.500 174 V N -1.389 118.539 119.914 0.024 0.000 2.815 174 V HA 0.362 4.482 4.120 0.000 0.000 0.314 174 V C -0.276 175.850 176.094 0.053 0.000 1.064 174 V CA -1.184 61.137 62.300 0.035 0.000 0.952 174 V CB 1.674 33.533 31.823 0.061 0.000 1.020 174 V HN 0.690 nan 8.190 nan 0.000 0.439 175 N N 4.570 123.320 118.700 0.083 0.000 2.434 175 N HA 0.155 4.895 4.740 0.000 0.000 0.268 175 N C -1.411 174.146 175.510 0.078 0.000 1.256 175 N CA -1.278 51.820 53.050 0.079 0.000 0.914 175 N CB 1.421 39.971 38.487 0.105 0.000 1.088 175 N HN 0.659 nan 8.380 nan 0.000 0.478 176 P HA -0.005 nan 4.420 nan 0.000 0.239 176 P C -0.274 177.052 177.300 0.043 0.000 1.184 176 P CA 0.794 63.919 63.100 0.041 0.000 0.760 176 P CB 0.523 32.237 31.700 0.025 0.000 0.884 177 D N -1.065 119.369 120.400 0.056 0.000 2.441 177 D HA 0.017 4.657 4.640 0.000 0.000 0.210 177 D C 1.556 177.904 176.300 0.080 0.000 1.102 177 D CA 0.963 54.995 54.000 0.053 0.000 0.840 177 D CB 0.490 41.314 40.800 0.041 0.000 0.990 177 D HN 0.310 nan 8.370 nan 0.000 0.505 178 T N -4.088 110.542 114.554 0.127 0.000 2.986 178 T HA 0.325 4.676 4.350 0.000 0.000 0.264 178 T C 1.683 176.534 174.700 0.251 0.000 0.964 178 T CA 0.744 62.979 62.100 0.226 0.000 0.895 178 T CB 1.037 70.070 68.868 0.275 0.000 1.163 178 T HN 0.068 nan 8.240 nan 0.000 0.517 179 G N 0.839 109.722 108.800 0.139 0.000 2.189 179 G HA2 -0.273 3.687 3.960 0.000 0.000 0.267 179 G HA3 -0.273 3.687 3.960 0.000 0.000 0.267 179 G C -0.125 174.821 174.900 0.077 0.000 0.975 179 G CA 0.518 45.646 45.100 0.046 0.000 0.644 179 G HN 0.653 nan 8.290 nan 0.000 0.537 180 Y N -0.218 120.174 120.300 0.153 0.000 2.354 180 Y HA 0.625 5.176 4.550 0.000 0.000 0.322 180 Y C 1.453 177.453 175.900 0.168 0.000 1.253 180 Y CA -1.082 57.167 58.100 0.249 0.000 1.272 180 Y CB 0.742 39.314 38.460 0.187 0.000 1.255 180 Y HN 0.107 nan 8.280 nan 0.000 0.500 181 I N 2.409 123.155 120.570 0.293 0.000 2.598 181 I HA -0.084 4.086 4.170 0.000 0.000 0.284 181 I C 0.215 176.231 176.117 -0.167 0.000 1.140 181 I CA 0.318 61.533 61.300 -0.143 0.000 1.420 181 I CB 0.206 37.849 38.000 -0.596 0.000 1.387 181 I HN 0.538 nan 8.210 nan 0.000 0.553 182 D N 7.050 127.364 120.400 -0.143 0.000 2.435 182 D HA 0.006 4.646 4.640 0.000 0.000 0.230 182 D C 0.622 176.818 176.300 -0.174 0.000 1.215 182 D CA 0.044 54.007 54.000 -0.062 0.000 0.947 182 D CB 0.352 41.140 40.800 -0.020 0.000 1.048 182 D HN 0.342 nan 8.370 nan 0.000 0.512 183 Y N 1.467 121.716 120.300 -0.084 0.000 2.293 183 Y HA -0.118 4.432 4.550 0.000 0.000 0.291 183 Y C 2.068 177.908 175.900 -0.100 0.000 1.137 183 Y CA 0.623 58.644 58.100 -0.133 0.000 1.202 183 Y CB 0.123 38.516 38.460 -0.113 0.000 0.990 183 Y HN 0.348 nan 8.280 nan 0.000 0.537 184 D N -0.109 120.341 120.400 0.083 0.000 2.097 184 D HA -0.164 4.476 4.640 0.000 0.000 0.195 184 D C 2.227 178.528 176.300 0.002 0.000 0.989 184 D CA 1.178 55.199 54.000 0.035 0.000 0.827 184 D CB -0.169 40.647 40.800 0.028 0.000 0.966 184 D HN 0.140 nan 8.370 nan 0.000 0.456 185 R N 0.966 121.459 120.500 -0.013 0.000 2.092 185 R HA -0.094 4.246 4.340 0.000 0.000 0.231 185 R C 2.147 178.426 176.300 -0.035 0.000 1.119 185 R CA 0.694 56.782 56.100 -0.020 0.000 0.970 185 R CB -0.951 29.339 30.300 -0.017 0.000 0.864 185 R HN 0.166 nan 8.270 nan 0.000 0.440 186 L N 1.112 122.285 121.223 -0.083 0.000 2.017 186 L HA -0.081 4.260 4.340 0.000 0.000 0.208 186 L C 2.093 178.931 176.870 -0.053 0.000 1.073 186 L CA 2.286 57.057 54.840 -0.114 0.000 0.745 186 L CB -0.961 40.888 42.059 -0.350 0.000 0.894 186 L HN 0.452 nan 8.230 nan 0.000 0.432 187 E N -0.595 119.584 120.200 -0.034 0.000 2.118 187 E HA -0.266 4.084 4.350 0.000 0.000 0.195 187 E C 1.936 178.534 176.600 -0.003 0.000 0.992 187 E CA 1.673 58.070 56.400 -0.005 0.000 0.804 187 E CB -0.063 29.643 29.700 0.009 0.000 0.741 187 E HN 0.705 nan 8.360 nan 0.000 0.458 188 E N -0.001 120.195 120.200 -0.007 0.000 2.028 188 E HA -0.148 4.202 4.350 0.000 0.000 0.191 188 E C 2.032 178.627 176.600 -0.009 0.000 0.988 188 E CA 0.988 57.384 56.400 -0.007 0.000 0.799 188 E CB -0.080 29.617 29.700 -0.006 0.000 0.755 188 E HN 0.226 nan 8.360 nan 0.000 0.447 189 N N 0.946 119.643 118.700 -0.005 0.000 2.205 189 N HA -0.133 4.607 4.740 0.000 0.000 0.186 189 N C 1.588 177.115 175.510 0.028 0.000 1.015 189 N CA 1.148 54.200 53.050 0.003 0.000 0.862 189 N CB -0.357 38.127 38.487 -0.005 0.000 0.986 189 N HN 0.145 nan 8.380 nan 0.000 0.429 190 A N 1.105 123.944 122.820 0.032 0.000 1.978 190 A HA -0.115 4.205 4.320 0.000 0.000 0.220 190 A C 2.150 179.708 177.584 -0.043 0.000 1.170 190 A CA 1.169 53.239 52.037 0.055 0.000 0.636 190 A CB -0.361 18.671 19.000 0.053 0.000 0.810 190 A HN 0.260 nan 8.150 nan 0.000 0.448 191 R N -0.833 119.622 120.500 -0.075 0.000 2.189 191 R HA 0.116 4.456 4.340 0.000 0.000 0.218 191 R C 1.575 177.668 176.300 -0.344 0.000 1.074 191 R CA 0.959 56.968 56.100 -0.152 0.000 0.991 191 R CB -0.236 30.028 30.300 -0.060 0.000 0.883 191 R HN 0.505 nan 8.270 nan 0.000 0.457 192 L N -1.742 119.343 121.223 -0.231 0.000 2.316 192 L HA 0.075 4.415 4.340 0.000 0.000 0.207 192 L C 1.676 178.442 176.870 -0.174 0.000 1.070 192 L CA 0.257 54.981 54.840 -0.193 0.000 0.820 192 L CB -0.076 41.968 42.059 -0.026 0.000 0.992 192 L HN 0.072 nan 8.230 nan 0.000 0.466 193 F N 0.589 120.393 119.950 -0.242 0.000 2.473 193 F HA 0.047 4.574 4.527 0.000 0.000 0.294 193 F C 0.634 176.436 175.800 0.004 0.000 1.103 193 F CA 0.146 58.098 58.000 -0.080 0.000 1.442 193 F CB -0.199 38.789 39.000 -0.019 0.000 1.097 193 F HN 0.176 nan 8.300 nan 0.000 0.547 194 H N -0.480 118.591 119.070 0.002 0.000 2.750 194 H HA -0.117 4.439 4.556 0.000 0.000 0.327 194 H C -2.374 172.852 175.328 -0.169 0.000 1.199 194 H CA 0.025 56.021 56.048 -0.087 0.000 1.149 194 H CB -1.828 27.861 29.762 -0.121 0.000 1.543 194 H HN 0.180 nan 8.280 nan 0.000 0.427 195 P HA 0.004 nan 4.420 nan 0.000 0.271 195 P C 0.420 177.740 177.300 0.034 0.000 1.218 195 P CA -0.123 63.003 63.100 0.043 0.000 0.780 195 P CB 1.233 33.061 31.700 0.213 0.000 0.901 196 K N 1.102 121.514 120.400 0.020 0.000 2.356 196 K HA 0.193 4.513 4.320 0.000 0.000 0.195 196 K C 0.547 177.208 176.600 0.101 0.000 1.037 196 K CA 0.267 56.580 56.287 0.043 0.000 1.014 196 K CB 0.235 32.757 32.500 0.036 0.000 0.815 196 K HN 0.435 nan 8.250 nan 0.000 0.507 197 L N 0.678 121.958 121.223 0.094 0.000 2.565 197 L HA 0.428 4.768 4.340 0.000 0.000 0.261 197 L C -1.748 175.196 176.870 0.123 0.000 0.932 197 L CA -0.519 54.399 54.840 0.130 0.000 0.878 197 L CB 1.643 43.763 42.059 0.101 0.000 1.333 197 L HN -0.140 nan 8.230 nan 0.000 0.409 198 I N 5.281 125.946 120.570 0.159 0.000 2.404 198 I HA 0.442 4.612 4.170 0.000 0.000 0.293 198 I C -0.403 175.807 176.117 0.155 0.000 0.992 198 I CA -0.569 60.834 61.300 0.172 0.000 1.149 198 I CB 1.858 39.970 38.000 0.185 0.000 1.315 198 I HN 0.462 nan 8.210 nan 0.000 0.446 199 I N 5.219 125.858 120.570 0.115 0.000 2.353 199 I HA 0.486 4.656 4.170 0.000 0.000 0.293 199 I C 0.250 176.415 176.117 0.080 0.000 0.992 199 I CA -0.441 60.868 61.300 0.016 0.000 1.268 199 I CB 1.631 39.489 38.000 -0.237 0.000 1.387 199 I HN 0.600 nan 8.210 nan 0.000 0.478 200 A N 5.144 128.024 122.820 0.099 0.000 2.399 200 A HA 0.827 5.148 4.320 0.000 0.000 0.327 200 A C -0.039 177.655 177.584 0.183 0.000 1.367 200 A CA -0.375 51.781 52.037 0.198 0.000 0.842 200 A CB 0.438 19.653 19.000 0.360 0.000 1.142 200 A HN 0.928 nan 8.150 nan 0.000 0.495 201 G N 0.621 109.511 108.800 0.149 0.000 2.596 201 G HA2 0.644 4.604 3.960 0.000 0.000 0.296 201 G HA3 0.644 4.604 3.960 0.000 0.000 0.296 201 G C -0.799 174.277 174.900 0.295 0.000 1.513 201 G CA 0.206 45.447 45.100 0.236 0.000 0.851 201 G HN 1.348 nan 8.290 nan 0.000 0.548 202 T N -2.088 112.608 114.554 0.236 0.000 2.896 202 T HA 0.710 5.060 4.350 0.000 0.000 0.297 202 T C 0.557 175.299 174.700 0.071 0.000 1.108 202 T CA 0.187 62.371 62.100 0.140 0.000 1.004 202 T CB 1.982 70.912 68.868 0.104 0.000 1.159 202 T HN 0.916 nan 8.240 nan 0.000 0.499 203 S N -0.365 115.329 115.700 -0.010 0.000 2.497 203 S HA 0.227 4.698 4.470 0.000 0.000 0.218 203 S C 0.462 174.877 174.600 -0.309 0.000 1.023 203 S CA -0.049 58.089 58.200 -0.103 0.000 0.913 203 S CB -0.134 63.113 63.200 0.078 0.000 0.800 203 S HN 0.941 nan 8.310 nan 0.000 0.505 204 C N 1.826 121.034 119.300 -0.152 0.000 3.430 204 C HA 0.582 5.042 4.460 0.000 0.000 0.268 204 C C -1.674 173.319 174.990 0.004 0.000 1.101 204 C CA -0.601 58.336 59.018 -0.135 0.000 1.286 204 C CB -0.816 26.868 27.740 -0.092 0.000 1.795 204 C HN 0.513 nan 8.230 nan 0.000 0.569 205 Y N 3.029 123.225 120.300 -0.174 0.000 2.332 205 Y HA 0.431 4.981 4.550 0.000 0.000 0.325 205 Y C 0.761 176.575 175.900 -0.143 0.000 1.054 205 Y CA 0.009 58.027 58.100 -0.136 0.000 1.119 205 Y CB 1.926 40.338 38.460 -0.081 0.000 1.168 205 Y HN 0.492 nan 8.280 nan 0.000 0.439 206 S N 4.482 119.913 115.700 -0.449 0.000 2.650 206 S HA 0.298 4.768 4.470 0.000 0.000 0.219 206 S C 0.270 174.619 174.600 -0.418 0.000 0.960 206 S CA -0.058 57.912 58.200 -0.383 0.000 0.925 206 S CB -0.143 62.858 63.200 -0.331 0.000 0.775 206 S HN 0.450 nan 8.310 nan 0.000 0.525 207 R N 1.632 121.731 120.500 -0.668 0.000 2.854 207 R HA 0.478 4.818 4.340 0.000 0.000 0.271 207 R C -0.512 175.757 176.300 -0.051 0.000 0.996 207 R CA -0.811 55.057 56.100 -0.386 0.000 0.961 207 R CB 0.351 30.340 30.300 -0.519 0.000 1.182 207 R HN 0.253 nan 8.270 nan 0.000 0.479 208 N N 1.137 119.858 118.700 0.036 0.000 2.415 208 N HA 0.133 4.873 4.740 0.000 0.000 0.248 208 N C -0.095 175.462 175.510 0.078 0.000 1.271 208 N CA 0.116 53.202 53.050 0.061 0.000 0.913 208 N CB 0.707 39.217 38.487 0.039 0.000 1.129 208 N HN 0.261 nan 8.380 nan 0.000 0.444 209 L N 0.535 121.669 121.223 -0.150 0.000 2.325 209 L HA 0.173 4.513 4.340 0.000 0.000 0.279 209 L C 0.774 177.380 176.870 -0.441 0.000 1.054 209 L CA -0.676 54.016 54.840 -0.248 0.000 0.804 209 L CB 0.922 42.670 42.059 -0.518 0.000 1.200 209 L HN 0.360 nan 8.230 nan 0.000 0.436 210 D N 1.610 121.884 120.400 -0.211 0.000 2.608 210 D HA -0.005 4.635 4.640 0.000 0.000 0.224 210 D C 0.808 176.940 176.300 -0.280 0.000 1.123 210 D CA 0.049 53.835 54.000 -0.357 0.000 1.030 210 D CB 0.218 40.575 40.800 -0.738 0.000 1.093 210 D HN 0.318 nan 8.370 nan 0.000 0.497 211 Y N 0.809 121.007 120.300 -0.170 0.000 2.151 211 Y HA -0.162 4.388 4.550 0.000 0.000 0.284 211 Y C 2.557 178.176 175.900 -0.468 0.000 1.166 211 Y CA 1.410 59.368 58.100 -0.236 0.000 1.163 211 Y CB -0.771 37.577 38.460 -0.186 0.000 0.974 211 Y HN 0.368 nan 8.280 nan 0.000 0.511 212 G N -0.658 107.751 108.800 -0.652 0.000 2.440 212 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 212 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 212 G C 1.790 176.593 174.900 -0.161 0.000 1.154 212 G CA 1.173 45.969 45.100 -0.507 0.000 0.767 212 G HN 0.268 nan 8.290 nan 0.000 0.552 213 R N 0.412 120.800 120.500 -0.186 0.000 2.061 213 R HA 0.110 4.450 4.340 0.000 0.000 0.230 213 R C 2.596 178.885 176.300 -0.018 0.000 1.140 213 R CA 1.156 57.178 56.100 -0.130 0.000 0.940 213 R CB -0.904 29.223 30.300 -0.288 0.000 0.839 213 R HN 0.347 nan 8.270 nan 0.000 0.429 214 L N 0.449 121.689 121.223 0.028 0.000 2.189 214 L HA -0.203 4.137 4.340 0.000 0.000 0.214 214 L C 2.568 179.500 176.870 0.104 0.000 1.097 214 L CA 1.530 56.429 54.840 0.097 0.000 0.764 214 L CB -0.454 41.694 42.059 0.147 0.000 0.900 214 L HN 0.200 nan 8.230 nan 0.000 0.436 215 R N 0.874 121.427 120.500 0.089 0.000 2.073 215 R HA -0.115 4.225 4.340 0.000 0.000 0.229 215 R C 2.119 178.480 176.300 0.102 0.000 1.120 215 R CA 1.470 57.641 56.100 0.118 0.000 0.967 215 R CB -0.157 30.226 30.300 0.138 0.000 0.862 215 R HN 0.243 nan 8.270 nan 0.000 0.436 216 K N -0.024 120.416 120.400 0.067 0.000 2.026 216 K HA -0.076 4.244 4.320 0.000 0.000 0.208 216 K C 2.080 178.713 176.600 0.054 0.000 1.048 216 K CA 1.835 58.154 56.287 0.053 0.000 0.929 216 K CB -0.266 32.251 32.500 0.028 0.000 0.713 216 K HN 0.202 nan 8.250 nan 0.000 0.439 217 I N 1.100 121.703 120.570 0.055 0.000 2.286 217 I HA -0.269 3.901 4.170 0.000 0.000 0.248 217 I C 2.563 178.720 176.117 0.068 0.000 1.115 217 I CA 1.048 62.379 61.300 0.053 0.000 1.392 217 I CB -0.471 37.557 38.000 0.046 0.000 1.065 217 I HN 0.169 nan 8.210 nan 0.000 0.418 218 A N 0.733 123.612 122.820 0.097 0.000 1.855 218 A HA -0.204 4.116 4.320 0.000 0.000 0.215 218 A C 1.989 179.621 177.584 0.081 0.000 1.191 218 A CA 1.812 53.917 52.037 0.114 0.000 0.613 218 A CB -0.575 18.542 19.000 0.195 0.000 0.829 218 A HN 0.329 nan 8.150 nan 0.000 0.442 219 D N -0.562 119.896 120.400 0.096 0.000 2.178 219 D HA -0.158 4.482 4.640 0.000 0.000 0.201 219 D C 1.809 178.126 176.300 0.027 0.000 0.980 219 D CA 1.289 55.324 54.000 0.059 0.000 0.842 219 D CB -0.324 40.521 40.800 0.076 0.000 0.948 219 D HN 0.704 nan 8.370 nan 0.000 0.472 220 E N 0.558 120.779 120.200 0.035 0.000 2.085 220 E HA -0.130 4.221 4.350 0.000 0.000 0.194 220 E C 1.063 177.678 176.600 0.024 0.000 0.994 220 E CA 0.754 57.169 56.400 0.026 0.000 0.801 220 E CB 0.167 29.883 29.700 0.028 0.000 0.743 220 E HN 0.207 nan 8.360 nan 0.000 0.453 221 N N -0.705 118.013 118.700 0.030 0.000 2.270 221 N HA 0.035 4.775 4.740 0.000 0.000 0.198 221 N C 0.664 176.177 175.510 0.005 0.000 1.117 221 N CA 0.714 53.786 53.050 0.037 0.000 0.845 221 N CB 1.279 39.799 38.487 0.055 0.000 0.980 221 N HN 0.267 nan 8.380 nan 0.000 0.486 222 G N 0.906 109.690 108.800 -0.028 0.000 2.187 222 G HA2 -0.303 3.657 3.960 0.000 0.000 0.261 222 G HA3 -0.303 3.657 3.960 0.000 0.000 0.261 222 G C 0.303 175.101 174.900 -0.170 0.000 1.000 222 G CA 0.582 45.624 45.100 -0.096 0.000 0.718 222 G HN 0.586 nan 8.290 nan 0.000 0.519 223 A N -1.058 121.701 122.820 -0.101 0.000 2.252 223 A HA 0.794 5.114 4.320 0.000 0.000 0.305 223 A C -0.119 177.371 177.584 -0.158 0.000 1.097 223 A CA -0.589 51.390 52.037 -0.096 0.000 0.849 223 A CB 0.684 19.704 19.000 0.033 0.000 1.142 223 A HN 0.517 nan 8.150 nan 0.000 0.499 224 Y N -0.671 119.605 120.300 -0.039 0.000 2.320 224 Y HA 0.445 4.995 4.550 0.000 0.000 0.324 224 Y C 0.084 176.072 175.900 0.148 0.000 1.190 224 Y CA -0.145 57.907 58.100 -0.080 0.000 1.215 224 Y CB 1.448 39.867 38.460 -0.070 0.000 1.221 224 Y HN 0.477 nan 8.280 nan 0.000 0.486 225 L N 5.504 127.090 121.223 0.605 0.000 2.301 225 L HA 0.463 4.803 4.340 0.000 0.000 0.278 225 L C -0.828 176.241 176.870 0.332 0.000 1.022 225 L CA -0.550 54.541 54.840 0.419 0.000 0.854 225 L CB 0.489 42.765 42.059 0.362 0.000 1.226 225 L HN 0.688 nan 8.230 nan 0.000 0.429 226 M N 4.698 124.431 119.600 0.222 0.000 2.180 226 M HA 0.726 5.206 4.480 0.000 0.000 0.350 226 M C -0.648 175.705 176.300 0.089 0.000 1.125 226 M CA -0.436 54.949 55.300 0.143 0.000 1.031 226 M CB 1.367 34.038 32.600 0.117 0.000 1.623 226 M HN 0.750 nan 8.290 nan 0.000 0.451 227 A N 3.456 126.293 122.820 0.028 0.000 2.312 227 A HA 0.472 4.792 4.320 0.000 0.000 0.326 227 A C -1.042 176.538 177.584 -0.006 0.000 1.172 227 A CA -0.539 51.499 52.037 0.002 0.000 0.821 227 A CB 0.708 19.594 19.000 -0.189 0.000 1.166 227 A HN 0.778 nan 8.150 nan 0.000 0.493 228 D N 3.077 123.509 120.400 0.054 0.000 2.438 228 D HA 0.305 4.945 4.640 0.000 0.000 0.257 228 D C 0.436 176.804 176.300 0.113 0.000 1.148 228 D CA -0.306 53.747 54.000 0.088 0.000 0.902 228 D CB 0.696 41.611 40.800 0.192 0.000 1.062 228 D HN 0.530 nan 8.370 nan 0.000 0.518 229 M N 1.267 120.898 119.600 0.052 0.000 2.626 229 M HA 0.416 4.896 4.480 0.000 0.000 0.262 229 M C 1.212 177.557 176.300 0.075 0.000 1.256 229 M CA -0.452 54.895 55.300 0.078 0.000 0.981 229 M CB 0.797 33.404 32.600 0.012 0.000 1.492 229 M HN 0.111 nan 8.290 nan 0.000 0.474 230 A N 0.602 123.454 122.820 0.053 0.000 1.927 230 A HA -0.229 4.092 4.320 0.000 0.000 0.220 230 A C 1.742 179.284 177.584 -0.069 0.000 1.185 230 A CA 2.217 54.232 52.037 -0.037 0.000 0.639 230 A CB -1.095 17.849 19.000 -0.093 0.000 0.820 230 A HN 0.754 nan 8.150 nan 0.000 0.451 231 H N -0.936 118.138 119.070 0.008 0.000 2.512 231 H HA 0.175 4.731 4.556 0.000 0.000 0.279 231 H C 1.595 176.858 175.328 -0.109 0.000 0.999 231 H CA 1.406 57.468 56.048 0.022 0.000 1.283 231 H CB 0.090 29.974 29.762 0.203 0.000 1.421 231 H HN 0.663 nan 8.280 nan 0.000 0.554 232 I N -1.622 119.005 120.570 0.094 0.000 4.081 232 I HA 0.204 4.374 4.170 0.000 0.000 0.333 232 I C 1.712 177.880 176.117 0.084 0.000 1.413 232 I CA 0.213 61.538 61.300 0.041 0.000 1.110 232 I CB 0.380 38.470 38.000 0.149 0.000 1.082 232 I HN 0.050 nan 8.210 nan 0.000 0.402 233 S N 1.889 117.649 115.700 0.100 0.000 2.380 233 S HA -0.188 4.282 4.470 0.000 0.000 0.229 233 S C 2.003 176.759 174.600 0.259 0.000 1.043 233 S CA 1.723 60.051 58.200 0.214 0.000 1.038 233 S CB -1.498 61.815 63.200 0.188 0.000 0.872 233 S HN 0.588 nan 8.310 nan 0.000 0.456 234 G N 1.487 110.400 108.800 0.188 0.000 2.402 234 G HA2 0.026 3.986 3.960 0.000 0.000 0.216 234 G HA3 0.026 3.986 3.960 0.000 0.000 0.216 234 G C 1.345 176.369 174.900 0.207 0.000 1.162 234 G CA 0.873 46.153 45.100 0.299 0.000 0.777 234 G HN 0.435 nan 8.290 nan 0.000 0.539 235 L N 0.720 121.988 121.223 0.074 0.000 2.017 235 L HA -0.056 4.284 4.340 0.000 0.000 0.208 235 L C 3.138 180.063 176.870 0.093 0.000 1.073 235 L CA 0.931 55.794 54.840 0.038 0.000 0.745 235 L CB -0.965 41.103 42.059 0.015 0.000 0.894 235 L HN 0.090 nan 8.230 nan 0.000 0.432 236 V N -1.171 118.831 119.914 0.148 0.000 2.324 236 V HA -0.316 3.804 4.120 0.000 0.000 0.250 236 V C 2.469 178.633 176.094 0.117 0.000 1.060 236 V CA 1.669 64.082 62.300 0.189 0.000 1.042 236 V CB -0.697 31.320 31.823 0.324 0.000 0.650 236 V HN 0.268 nan 8.190 nan 0.000 0.450 237 V N 0.182 120.114 119.914 0.029 0.000 2.343 237 V HA -0.222 3.898 4.120 0.000 0.000 0.247 237 V C 2.569 178.640 176.094 -0.038 0.000 1.051 237 V CA 2.025 64.209 62.300 -0.194 0.000 1.036 237 V CB -0.953 30.685 31.823 -0.308 0.000 0.654 237 V HN 0.583 nan 8.190 nan 0.000 0.451 238 A N -0.634 122.237 122.820 0.084 0.000 2.209 238 A HA 0.305 4.626 4.320 0.000 0.000 0.212 238 A C 1.949 179.552 177.584 0.031 0.000 1.158 238 A CA 1.063 53.148 52.037 0.080 0.000 0.742 238 A CB -0.704 18.340 19.000 0.072 0.000 0.790 238 A HN 1.299 nan 8.150 nan 0.000 0.472 239 G N -1.755 107.063 108.800 0.029 0.000 2.176 239 G HA2 -0.238 3.722 3.960 0.000 0.000 0.252 239 G HA3 -0.238 3.722 3.960 0.000 0.000 0.252 239 G C 0.685 175.603 174.900 0.030 0.000 1.024 239 G CA 0.418 45.536 45.100 0.030 0.000 0.755 239 G HN 0.693 nan 8.290 nan 0.000 0.507 240 V N -0.660 119.270 119.914 0.027 0.000 3.235 240 V HA 0.250 4.370 4.120 0.000 0.000 0.259 240 V C 1.442 177.555 176.094 0.032 0.000 1.133 240 V CA 1.564 63.872 62.300 0.012 0.000 1.128 240 V CB 0.278 32.089 31.823 -0.020 0.000 0.757 240 V HN 1.166 nan 8.190 nan 0.000 0.469 241 V N -3.888 116.063 119.914 0.061 0.000 3.007 241 V HA 0.665 4.785 4.120 0.000 0.000 0.311 241 V C -3.047 173.118 176.094 0.118 0.000 1.120 241 V CA -2.871 59.481 62.300 0.087 0.000 0.980 241 V CB 1.431 33.318 31.823 0.106 0.000 1.033 241 V HN 0.000 nan 8.190 nan 0.000 0.429 242 P HA 0.155 nan 4.420 nan 0.000 0.264 242 P C -0.081 177.350 177.300 0.219 0.000 1.183 242 P CA 0.534 63.740 63.100 0.176 0.000 0.763 242 P CB 0.478 32.297 31.700 0.200 0.000 0.807 243 S N 4.092 119.898 115.700 0.176 0.000 2.548 243 S HA 0.220 4.690 4.470 0.000 0.000 0.277 243 S C -1.266 173.335 174.600 0.003 0.000 1.315 243 S CA -1.266 57.018 58.200 0.140 0.000 1.050 243 S CB 0.048 63.345 63.200 0.161 0.000 0.918 243 S HN 0.333 nan 8.310 nan 0.000 0.497 244 P HA 0.091 nan 4.420 nan 0.000 0.245 244 P C 0.643 177.536 177.300 -0.677 0.000 1.206 244 P CA 0.400 62.911 63.100 -0.983 0.000 0.781 244 P CB -0.070 30.896 31.700 -1.223 0.000 0.994 245 F N 0.714 120.464 119.950 -0.333 0.000 2.748 245 F HA 0.063 4.590 4.527 0.000 0.000 0.299 245 F C 2.433 178.226 175.800 -0.011 0.000 1.154 245 F CA 0.723 58.554 58.000 -0.281 0.000 1.446 245 F CB -0.515 38.093 39.000 -0.654 0.000 1.112 245 F HN -0.010 nan 8.300 nan 0.000 0.584 246 E N -0.480 119.755 120.200 0.058 0.000 2.107 246 E HA -0.178 4.172 4.350 0.000 0.000 0.191 246 E C 1.144 177.567 176.600 -0.295 0.000 0.982 246 E CA 1.334 57.663 56.400 -0.118 0.000 0.809 246 E CB 0.064 29.611 29.700 -0.255 0.000 0.756 246 E HN 0.524 nan 8.360 nan 0.000 0.459 247 H N -2.361 116.722 119.070 0.020 0.000 3.255 247 H HA 0.254 4.810 4.556 0.000 0.000 0.256 247 H C 0.274 175.549 175.328 -0.088 0.000 1.049 247 H CA -0.444 55.603 56.048 -0.002 0.000 1.202 247 H CB 0.147 29.939 29.762 0.050 0.000 1.497 247 H HN 0.006 nan 8.280 nan 0.000 0.503 248 C N 1.220 120.540 119.300 0.033 0.000 2.604 248 C HA 0.103 4.563 4.460 0.000 0.000 0.396 248 C C 1.515 176.490 174.990 -0.025 0.000 1.282 248 C CA -0.047 58.956 59.018 -0.024 0.000 2.292 248 C CB 0.668 28.362 27.740 -0.077 0.000 2.633 248 C HN 0.648 nan 8.230 nan 0.000 0.620 249 H N -0.448 118.721 119.070 0.164 0.000 2.497 249 H HA 0.287 4.843 4.556 0.000 0.000 0.282 249 H C 0.125 175.507 175.328 0.090 0.000 1.003 249 H CA 0.676 56.774 56.048 0.084 0.000 1.307 249 H CB 0.192 30.121 29.762 0.278 0.000 1.437 249 H HN 0.341 nan 8.280 nan 0.000 0.544 250 V N 0.639 120.728 119.914 0.293 0.000 2.971 250 V HA 0.340 4.460 4.120 0.000 0.000 0.309 250 V C -1.105 175.082 176.094 0.155 0.000 1.130 250 V CA -0.964 61.504 62.300 0.280 0.000 0.964 250 V CB 3.133 35.056 31.823 0.165 0.000 1.029 250 V HN -0.149 nan 8.190 nan 0.000 0.427 251 V N 2.624 122.628 119.914 0.150 0.000 2.482 251 V HA 0.569 4.689 4.120 0.000 0.000 0.295 251 V C 0.079 176.225 176.094 0.087 0.000 1.026 251 V CA -0.384 61.873 62.300 -0.071 0.000 0.856 251 V CB 2.131 33.599 31.823 -0.592 0.000 1.001 251 V HN 1.066 nan 8.190 nan 0.000 0.424 252 T N 0.884 115.453 114.554 0.025 0.000 2.943 252 T HA 0.842 5.192 4.350 0.000 0.000 0.284 252 T C -0.258 174.457 174.700 0.024 0.000 1.015 252 T CA -0.610 61.503 62.100 0.022 0.000 1.042 252 T CB 2.149 71.011 68.868 -0.009 0.000 1.055 252 T HN 0.740 nan 8.240 nan 0.000 0.500 253 T N 0.509 115.071 114.554 0.014 0.000 2.830 253 T HA 0.573 4.923 4.350 0.000 0.000 0.322 253 T C -0.429 174.263 174.700 -0.014 0.000 1.501 253 T CA -0.394 61.714 62.100 0.014 0.000 1.036 253 T CB 1.300 70.210 68.868 0.069 0.000 1.379 253 T HN 1.149 nan 8.240 nan 0.000 0.493 254 T N 0.143 114.658 114.554 -0.065 0.000 2.824 254 T HA 0.490 4.840 4.350 0.000 0.000 0.277 254 T C 1.354 176.024 174.700 -0.050 0.000 0.975 254 T CA 0.171 62.208 62.100 -0.104 0.000 0.966 254 T CB 0.932 69.540 68.868 -0.432 0.000 1.054 254 T HN 0.810 nan 8.240 nan 0.000 0.533 255 T N -3.186 111.405 114.554 0.062 0.000 3.010 255 T HA 0.155 4.505 4.350 0.000 0.000 0.257 255 T C 0.935 175.715 174.700 0.133 0.000 1.020 255 T CA -0.270 61.889 62.100 0.099 0.000 0.938 255 T CB -0.350 68.582 68.868 0.106 0.000 1.049 255 T HN 0.848 nan 8.240 nan 0.000 0.522 256 H N 1.265 120.340 119.070 0.008 0.000 3.397 256 H HA 0.585 5.141 4.556 0.000 0.000 0.155 256 H C 0.813 176.132 175.328 -0.015 0.000 1.557 256 H CA -0.398 55.651 56.048 0.001 0.000 1.675 256 H CB -0.221 29.532 29.762 -0.016 0.000 1.056 256 H HN 0.078 nan 8.280 nan 0.000 0.889 257 K N -1.390 119.002 120.400 -0.014 0.000 1.791 257 K HA -0.258 4.062 4.320 0.000 0.000 0.140 257 K C 1.502 178.072 176.600 -0.050 0.000 1.312 257 K CA 2.050 58.257 56.287 -0.134 0.000 0.382 257 K CB -1.887 30.398 32.500 -0.358 0.000 0.635 257 K HN 0.808 nan 8.250 nan 0.000 0.838 258 T N -0.201 114.296 114.554 -0.096 0.000 3.118 258 T HA 0.028 4.378 4.350 0.000 0.000 0.260 258 T C 1.517 176.321 174.700 0.174 0.000 1.139 258 T CA 1.240 63.333 62.100 -0.011 0.000 1.085 258 T CB 0.106 68.869 68.868 -0.174 0.000 0.934 258 T HN 0.328 nan 8.240 nan 0.000 0.518 259 L N 0.859 122.179 121.223 0.161 0.000 2.529 259 L HA 0.495 4.835 4.340 0.000 0.000 0.223 259 L C 1.307 178.330 176.870 0.256 0.000 1.113 259 L CA 0.395 55.389 54.840 0.256 0.000 0.861 259 L CB -0.906 41.242 42.059 0.149 0.000 1.012 259 L HN 0.343 nan 8.230 nan 0.000 0.461 260 R N -0.480 120.139 120.500 0.199 0.000 3.416 260 R HA -0.167 4.173 4.340 0.000 0.000 0.263 260 R C 0.388 176.762 176.300 0.123 0.000 1.053 260 R CA 0.507 56.705 56.100 0.163 0.000 0.705 260 R CB -1.609 28.805 30.300 0.190 0.000 1.124 260 R HN 0.588 nan 8.270 nan 0.000 0.444 261 G N -0.688 108.182 108.800 0.117 0.000 2.971 261 G HA2 0.533 4.493 3.960 0.000 0.000 0.235 261 G HA3 0.533 4.493 3.960 0.000 0.000 0.235 261 G C 0.282 175.235 174.900 0.088 0.000 1.351 261 G CA -0.253 44.897 45.100 0.084 0.000 1.039 261 G HN 0.508 nan 8.290 nan 0.000 0.563 262 C N -1.583 117.748 119.300 0.052 0.000 2.480 262 C HA 0.710 5.170 4.460 0.000 0.000 0.358 262 C C 0.715 175.702 174.990 -0.004 0.000 1.309 262 C CA -1.199 57.827 59.018 0.013 0.000 2.465 262 C CB -0.002 27.735 27.740 -0.005 0.000 2.379 262 C HN 0.638 nan 8.230 nan 0.000 0.642 263 R N 1.476 121.896 120.500 -0.132 0.000 2.351 263 R HA 0.537 4.877 4.340 0.000 0.000 0.318 263 R C 0.263 176.534 176.300 -0.049 0.000 1.055 263 R CA 0.857 56.801 56.100 -0.260 0.000 0.968 263 R CB 0.152 30.202 30.300 -0.417 0.000 0.974 263 R HN 1.030 nan 8.270 nan 0.000 0.439 264 A N 1.685 124.558 122.820 0.088 0.000 2.483 264 A HA 0.800 5.120 4.320 0.000 0.000 0.306 264 A C -1.178 176.468 177.584 0.103 0.000 1.137 264 A CA -0.336 51.743 52.037 0.070 0.000 0.626 264 A CB 1.350 20.367 19.000 0.028 0.000 1.352 264 A HN 0.683 nan 8.150 nan 0.000 0.508 265 G N -0.971 107.851 108.800 0.035 0.000 2.692 265 G HA2 0.664 4.624 3.960 0.000 0.000 0.291 265 G HA3 0.664 4.624 3.960 0.000 0.000 0.291 265 G C -1.176 173.691 174.900 -0.055 0.000 1.423 265 G CA -0.570 44.533 45.100 0.006 0.000 0.843 265 G HN 0.719 nan 8.290 nan 0.000 0.486 266 M N 0.214 119.755 119.600 -0.098 0.000 2.619 266 M HA 0.567 5.047 4.480 0.000 0.000 0.297 266 M C -1.128 175.034 176.300 -0.232 0.000 1.229 266 M CA -0.634 54.534 55.300 -0.220 0.000 0.860 266 M CB 3.103 35.471 32.600 -0.387 0.000 1.741 266 M HN 0.254 nan 8.290 nan 0.000 0.462 267 I N 1.865 122.277 120.570 -0.263 0.000 2.448 267 I HA 0.383 4.553 4.170 0.000 0.000 0.281 267 I C -1.425 174.629 176.117 -0.104 0.000 1.027 267 I CA -0.333 60.902 61.300 -0.108 0.000 1.111 267 I CB 1.100 39.100 38.000 0.000 0.000 1.236 267 I HN 0.467 nan 8.210 nan 0.000 0.452 268 F N 6.548 126.554 119.950 0.094 0.000 2.394 268 F HA 0.492 5.019 4.527 0.000 0.000 0.340 268 F C -0.051 175.928 175.800 0.299 0.000 1.105 268 F CA -0.389 57.672 58.000 0.102 0.000 1.124 268 F CB 0.954 40.043 39.000 0.149 0.000 1.145 268 F HN 0.299 nan 8.300 nan 0.000 0.505 269 Y N -0.067 120.552 120.300 0.532 0.000 2.534 269 Y HA 0.691 5.241 4.550 0.000 0.000 0.345 269 Y C -0.633 175.255 175.900 -0.020 0.000 1.031 269 Y CA -1.960 56.278 58.100 0.230 0.000 1.022 269 Y CB 0.941 39.425 38.460 0.039 0.000 1.292 269 Y HN 0.438 nan 8.280 nan 0.000 0.459 270 R N 2.243 122.483 120.500 -0.432 0.000 2.615 270 R HA 0.606 4.946 4.340 0.000 0.000 0.270 270 R C -0.651 175.361 176.300 -0.481 0.000 1.081 270 R CA -0.747 54.762 56.100 -0.986 0.000 1.154 270 R CB 0.768 30.128 30.300 -1.566 0.000 1.063 270 R HN 0.804 nan 8.270 nan 0.000 0.519 271 R N -0.191 120.068 120.500 -0.402 0.000 2.673 271 R HA 0.502 4.843 4.340 0.000 0.000 0.281 271 R C -0.449 175.875 176.300 0.039 0.000 0.991 271 R CA -0.263 55.805 56.100 -0.054 0.000 0.896 271 R CB 2.354 32.663 30.300 0.015 0.000 1.201 271 R HN 0.915 nan 8.270 nan 0.000 0.457 272 G N 0.528 109.438 108.800 0.183 0.000 2.396 272 G HA2 -0.183 3.777 3.960 0.000 0.000 0.254 272 G HA3 -0.183 3.777 3.960 0.000 0.000 0.254 272 G C -1.105 173.916 174.900 0.202 0.000 1.248 272 G CA -0.826 44.373 45.100 0.165 0.000 1.033 272 G HN 0.386 nan 8.290 nan 0.000 0.502 273 V N 1.633 121.602 119.914 0.093 0.000 2.529 273 V HA 0.347 4.467 4.120 0.000 0.000 0.292 273 V C 1.777 177.822 176.094 -0.082 0.000 1.028 273 V CA 1.402 63.695 62.300 -0.011 0.000 1.074 273 V CB 1.164 32.982 31.823 -0.007 0.000 0.958 273 V HN 0.917 nan 8.190 nan 0.000 0.481 274 R N 3.183 123.459 120.500 -0.373 0.000 2.072 274 R HA 0.132 4.472 4.340 0.000 0.000 0.214 274 R C 0.513 176.676 176.300 -0.228 0.000 1.168 274 R CA 0.993 56.719 56.100 -0.622 0.000 1.020 274 R CB 0.440 30.074 30.300 -1.109 0.000 0.914 274 R HN 0.822 nan 8.270 nan 0.000 0.449 275 S N -0.294 115.293 115.700 -0.187 0.000 2.541 275 S HA 0.423 4.893 4.470 0.000 0.000 0.271 275 S C 0.126 174.680 174.600 -0.076 0.000 1.133 275 S CA -0.779 57.362 58.200 -0.098 0.000 0.876 275 S CB 1.785 64.930 63.200 -0.091 0.000 1.105 275 S HN 0.093 nan 8.310 nan 0.000 0.470 276 V N -0.440 119.446 119.914 -0.047 0.000 5.049 276 V HA 0.649 4.769 4.120 0.000 0.000 0.272 276 V C 0.259 176.333 176.094 -0.034 0.000 1.299 276 V CA 0.194 62.472 62.300 -0.036 0.000 0.684 276 V CB -0.051 31.759 31.823 -0.023 0.000 1.251 276 V HN 1.089 nan 8.190 nan 0.000 0.380 283 E N 2.645 122.827 120.200 -0.030 0.000 2.222 283 E HA 0.467 4.817 4.350 0.000 0.000 0.272 283 E C -0.316 176.251 176.600 -0.054 0.000 0.982 283 E CA -0.719 55.655 56.400 -0.043 0.000 0.842 283 E CB 1.773 31.450 29.700 -0.038 0.000 1.144 283 E HN 0.201 nan 8.360 nan 0.000 0.397 284 I N -0.184 120.337 120.570 -0.081 0.000 2.562 284 I HA 0.491 4.662 4.170 0.000 0.000 0.301 284 I C -0.596 175.439 176.117 -0.137 0.000 1.003 284 I CA -1.226 60.016 61.300 -0.097 0.000 1.127 284 I CB 1.425 39.359 38.000 -0.110 0.000 1.304 284 I HN 0.403 nan 8.210 nan 0.000 0.446 285 L N 3.579 124.736 121.223 -0.109 0.000 2.365 285 L HA 0.459 4.799 4.340 0.000 0.000 0.267 285 L C -0.908 175.888 176.870 -0.123 0.000 1.033 285 L CA -0.945 53.834 54.840 -0.102 0.000 0.802 285 L CB 0.863 42.915 42.059 -0.013 0.000 1.267 285 L HN 0.501 nan 8.230 nan 0.000 0.457 286 Y N 0.456 120.765 120.300 0.016 0.000 2.336 286 Y HA 0.098 4.648 4.550 0.000 0.000 0.335 286 Y C 0.881 176.793 175.900 0.021 0.000 1.046 286 Y CA 0.046 58.168 58.100 0.036 0.000 1.198 286 Y CB 0.565 39.043 38.460 0.029 0.000 1.182 286 Y HN 0.501 nan 8.280 nan 0.000 0.502 287 N N 3.101 121.916 118.700 0.192 0.000 2.200 287 N HA 0.106 4.846 4.740 0.000 0.000 0.224 287 N C 0.854 176.372 175.510 0.013 0.000 1.179 287 N CA 0.062 53.159 53.050 0.079 0.000 0.877 287 N CB 0.309 38.826 38.487 0.051 0.000 1.072 287 N HN 0.685 nan 8.380 nan 0.000 0.519 288 L N 0.706 121.947 121.223 0.030 0.000 2.042 288 L HA -0.187 4.154 4.340 0.000 0.000 0.210 288 L C 2.370 179.023 176.870 -0.361 0.000 1.076 288 L CA 1.359 56.120 54.840 -0.131 0.000 0.749 288 L CB -0.599 41.422 42.059 -0.063 0.000 0.893 288 L HN 0.340 nan 8.230 nan 0.000 0.432 289 E N 0.818 120.765 120.200 -0.422 0.000 2.037 289 E HA -0.339 4.011 4.350 0.000 0.000 0.214 289 E C 2.240 178.539 176.600 -0.501 0.000 1.041 289 E CA 2.702 58.663 56.400 -0.731 0.000 0.872 289 E CB -0.118 29.443 29.700 -0.231 0.000 0.785 289 E HN 0.499 nan 8.360 nan 0.000 0.476 290 S N 0.276 115.822 115.700 -0.256 0.000 2.368 290 S HA -0.182 4.288 4.470 0.000 0.000 0.225 290 S C 2.188 176.690 174.600 -0.164 0.000 1.030 290 S CA 1.377 59.470 58.200 -0.178 0.000 0.999 290 S CB -0.736 62.408 63.200 -0.093 0.000 0.844 290 S HN 0.355 nan 8.310 nan 0.000 0.459 291 L N 0.824 121.948 121.223 -0.164 0.000 1.989 291 L HA -0.091 4.249 4.340 0.000 0.000 0.211 291 L C 2.759 179.536 176.870 -0.154 0.000 1.071 291 L CA 1.738 56.497 54.840 -0.134 0.000 0.749 291 L CB -0.647 41.333 42.059 -0.131 0.000 0.890 291 L HN 0.313 nan 8.230 nan 0.000 0.431 292 I N -0.299 120.128 120.570 -0.239 0.000 2.179 292 I HA -0.278 3.892 4.170 0.000 0.000 0.242 292 I C 2.294 178.316 176.117 -0.159 0.000 1.088 292 I CA 1.081 62.250 61.300 -0.219 0.000 1.357 292 I CB -0.413 37.402 38.000 -0.309 0.000 1.051 292 I HN 0.363 nan 8.210 nan 0.000 0.409 293 N N 0.559 119.122 118.700 -0.230 0.000 2.120 293 N HA -0.136 4.604 4.740 0.000 0.000 0.188 293 N C 2.007 177.572 175.510 0.091 0.000 1.024 293 N CA 1.466 54.429 53.050 -0.145 0.000 0.852 293 N CB -0.323 37.903 38.487 -0.435 0.000 1.003 293 N HN 0.193 nan 8.380 nan 0.000 0.424 294 S N 0.741 116.448 115.700 0.013 0.000 2.399 294 S HA -0.028 4.442 4.470 0.000 0.000 0.231 294 S C 2.037 176.640 174.600 0.004 0.000 1.022 294 S CA 0.998 59.217 58.200 0.031 0.000 0.983 294 S CB -0.172 63.018 63.200 -0.017 0.000 0.803 294 S HN 0.494 nan 8.310 nan 0.000 0.480 295 A N 0.885 123.699 122.820 -0.009 0.000 1.930 295 A HA 0.009 4.329 4.320 0.000 0.000 0.217 295 A C 2.290 179.889 177.584 0.024 0.000 1.175 295 A CA 1.151 53.183 52.037 -0.008 0.000 0.627 295 A CB -0.674 18.311 19.000 -0.026 0.000 0.815 295 A HN 0.344 nan 8.150 nan 0.000 0.443 296 V N -2.222 117.727 119.914 0.060 0.000 2.307 296 V HA 0.023 4.143 4.120 0.000 0.000 0.245 296 V C 0.813 176.985 176.094 0.130 0.000 1.045 296 V CA 1.711 64.056 62.300 0.075 0.000 1.024 296 V CB -0.517 31.374 31.823 0.114 0.000 0.651 296 V HN 0.530 nan 8.190 nan 0.000 0.449 297 F N 0.670 120.619 119.950 -0.002 0.000 2.615 297 F HA 0.523 5.050 4.527 0.000 0.000 0.312 297 F C -2.482 173.309 175.800 -0.015 0.000 1.119 297 F CA -2.045 55.903 58.000 -0.086 0.000 0.979 297 F CB 2.143 40.977 39.000 -0.277 0.000 1.266 297 F HN -0.152 nan 8.300 nan 0.000 0.444 298 P HA 0.148 nan 4.420 nan 0.000 0.256 298 P C 0.815 177.830 177.300 -0.475 0.000 1.335 298 P CA 0.652 62.916 63.100 -1.393 0.000 0.808 298 P CB 0.173 31.225 31.700 -1.081 0.000 1.305 299 G N 1.256 109.914 108.800 -0.236 0.000 2.575 299 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 299 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 299 G C 1.298 176.175 174.900 -0.038 0.000 1.262 299 G CA 0.602 45.644 45.100 -0.097 0.000 0.807 299 G HN 0.251 nan 8.290 nan 0.000 0.567 300 L N -0.537 120.693 121.223 0.012 0.000 2.357 300 L HA 0.299 4.639 4.340 0.000 0.000 0.211 300 L C 1.626 178.530 176.870 0.057 0.000 1.075 300 L CA 0.273 55.138 54.840 0.042 0.000 0.830 300 L CB 0.087 42.192 42.059 0.076 0.000 0.996 300 L HN 0.218 nan 8.230 nan 0.000 0.467 301 Q N -1.353 118.490 119.800 0.072 0.000 2.333 301 Q HA 0.501 4.841 4.340 0.000 0.000 0.266 301 Q C 0.036 176.205 176.000 0.282 0.000 1.053 301 Q CA -0.232 55.630 55.803 0.098 0.000 0.890 301 Q CB 1.789 30.385 28.738 -0.236 0.000 1.337 301 Q HN 0.122 nan 8.270 nan 0.000 0.474 302 G N -0.583 108.387 108.800 0.285 0.000 3.310 302 G HA2 0.472 4.432 3.960 0.000 0.000 0.176 302 G HA3 0.472 4.432 3.960 0.000 0.000 0.176 302 G C -0.374 174.581 174.900 0.093 0.000 1.307 302 G CA -0.302 44.963 45.100 0.275 0.000 0.935 302 G HN 0.588 nan 8.290 nan 0.000 0.628 303 G N 1.662 110.641 108.800 0.299 0.000 2.365 303 G HA2 0.478 4.438 3.960 0.000 0.000 0.249 303 G HA3 0.478 4.438 3.960 0.000 0.000 0.249 303 G C -2.086 172.915 174.900 0.169 0.000 1.288 303 G CA -0.385 44.839 45.100 0.206 0.000 0.887 303 G HN 0.383 nan 8.290 nan 0.000 0.524 304 P HA 0.091 nan 4.420 nan 0.000 0.274 304 P C -0.765 176.720 177.300 0.309 0.000 1.231 304 P CA -0.331 62.868 63.100 0.165 0.000 0.790 304 P CB 0.867 32.547 31.700 -0.034 0.000 0.951 305 H N 2.133 121.275 119.070 0.120 0.000 3.014 305 H HA 0.154 4.710 4.556 0.000 0.000 0.266 305 H C 1.449 176.740 175.328 -0.062 0.000 1.455 305 H CA -0.116 55.930 56.048 -0.003 0.000 1.402 305 H CB -0.941 28.710 29.762 -0.184 0.000 1.626 305 H HN 0.329 nan 8.280 nan 0.000 0.520 306 N N 1.462 120.262 118.700 0.168 0.000 2.205 306 N HA -0.172 4.568 4.740 0.000 0.000 0.186 306 N C 1.773 177.351 175.510 0.112 0.000 1.015 306 N CA 1.030 54.148 53.050 0.113 0.000 0.862 306 N CB 0.003 38.549 38.487 0.098 0.000 0.986 306 N HN 0.727 nan 8.380 nan 0.000 0.429 307 H N -0.064 119.014 119.070 0.012 0.000 2.389 307 H HA 0.137 4.693 4.556 0.000 0.000 0.299 307 H C 1.843 177.184 175.328 0.022 0.000 1.081 307 H CA 1.257 57.306 56.048 0.002 0.000 1.345 307 H CB -0.716 29.030 29.762 -0.026 0.000 1.393 307 H HN 0.128 nan 8.280 nan 0.000 0.520 308 A N 1.649 124.212 122.820 -0.429 0.000 1.969 308 A HA 0.028 4.348 4.320 0.000 0.000 0.218 308 A C 2.678 180.212 177.584 -0.084 0.000 1.169 308 A CA 1.040 52.932 52.037 -0.240 0.000 0.635 308 A CB -0.728 18.118 19.000 -0.257 0.000 0.810 308 A HN 0.366 nan 8.150 nan 0.000 0.445 309 I N -0.504 120.035 120.570 -0.052 0.000 2.439 309 I HA -0.203 3.967 4.170 0.000 0.000 0.251 309 I C 2.881 178.998 176.117 -0.000 0.000 1.139 309 I CA 0.846 62.138 61.300 -0.013 0.000 1.438 309 I CB -0.247 37.756 38.000 0.005 0.000 1.085 309 I HN 0.355 nan 8.210 nan 0.000 0.427 310 A N 0.947 123.773 122.820 0.011 0.000 1.898 310 A HA -0.079 4.241 4.320 0.000 0.000 0.216 310 A C 2.432 180.021 177.584 0.007 0.000 1.181 310 A CA 1.706 53.753 52.037 0.016 0.000 0.620 310 A CB -1.317 17.703 19.000 0.032 0.000 0.819 310 A HN 0.430 nan 8.150 nan 0.000 0.442 311 G N -0.593 108.210 108.800 0.005 0.000 2.432 311 G HA2 -0.081 3.879 3.960 0.000 0.000 0.219 311 G HA3 -0.081 3.879 3.960 0.000 0.000 0.219 311 G C 1.454 176.355 174.900 0.002 0.000 1.135 311 G CA 1.254 46.356 45.100 0.004 0.000 0.767 311 G HN 0.317 nan 8.290 nan 0.000 0.550 312 V N 1.417 121.331 119.914 0.000 0.000 2.323 312 V HA -0.071 4.049 4.120 0.000 0.000 0.244 312 V C 3.306 179.397 176.094 -0.005 0.000 1.041 312 V CA 1.815 64.118 62.300 0.005 0.000 1.025 312 V CB -0.853 30.972 31.823 0.005 0.000 0.656 312 V HN 0.456 nan 8.190 nan 0.000 0.451 313 A N 0.097 122.914 122.820 -0.005 0.000 1.892 313 A HA -0.205 4.115 4.320 0.000 0.000 0.218 313 A C 2.404 179.974 177.584 -0.023 0.000 1.188 313 A CA 2.360 54.391 52.037 -0.011 0.000 0.631 313 A CB -0.839 18.159 19.000 -0.004 0.000 0.822 313 A HN 0.339 nan 8.150 nan 0.000 0.447 314 V N -0.277 119.626 119.914 -0.018 0.000 2.343 314 V HA -0.259 3.862 4.120 0.000 0.000 0.247 314 V C 3.028 179.098 176.094 -0.040 0.000 1.051 314 V CA 1.987 64.273 62.300 -0.024 0.000 1.036 314 V CB -1.223 30.592 31.823 -0.012 0.000 0.654 314 V HN 0.642 nan 8.190 nan 0.000 0.451 315 A N -0.413 122.386 122.820 -0.036 0.000 1.930 315 A HA -0.104 4.216 4.320 0.000 0.000 0.217 315 A C 2.183 179.686 177.584 -0.134 0.000 1.175 315 A CA 1.538 53.540 52.037 -0.058 0.000 0.627 315 A CB -0.446 18.543 19.000 -0.018 0.000 0.815 315 A HN 0.519 nan 8.150 nan 0.000 0.443 316 L N -0.832 120.329 121.223 -0.105 0.000 2.156 316 L HA -0.123 4.217 4.340 0.000 0.000 0.208 316 L C 2.556 179.324 176.870 -0.171 0.000 1.095 316 L CA 1.594 56.347 54.840 -0.145 0.000 0.770 316 L CB -0.361 41.659 42.059 -0.065 0.000 0.914 316 L HN 0.478 nan 8.230 nan 0.000 0.439 317 K N 0.347 120.676 120.400 -0.118 0.000 2.025 317 K HA -0.194 4.126 4.320 0.000 0.000 0.207 317 K C 2.091 178.614 176.600 -0.129 0.000 1.049 317 K CA 1.340 57.567 56.287 -0.101 0.000 0.933 317 K CB 0.014 32.477 32.500 -0.062 0.000 0.714 317 K HN 0.313 nan 8.250 nan 0.000 0.438 318 Q N -0.260 119.460 119.800 -0.133 0.000 2.170 318 Q HA -0.113 4.227 4.340 0.000 0.000 0.203 318 Q C 2.028 177.859 176.000 -0.283 0.000 0.976 318 Q CA 1.302 57.031 55.803 -0.123 0.000 0.858 318 Q CB -0.093 28.606 28.738 -0.064 0.000 0.907 318 Q HN 0.426 nan 8.270 nan 0.000 0.433 319 A N 0.532 123.006 122.820 -0.576 0.000 2.067 319 A HA -0.088 4.232 4.320 0.000 0.000 0.219 319 A C 1.829 179.037 177.584 -0.628 0.000 1.158 319 A CA 0.961 52.250 52.037 -1.247 0.000 0.661 319 A CB -0.256 18.102 19.000 -1.069 0.000 0.801 319 A HN 0.284 nan 8.150 nan 0.000 0.452 320 M N 0.603 120.012 119.600 -0.317 0.000 2.561 320 M HA 0.025 4.505 4.480 0.000 0.000 0.238 320 M C 0.821 177.081 176.300 -0.066 0.000 1.131 320 M CA 0.487 55.684 55.300 -0.171 0.000 1.046 320 M CB -0.238 32.272 32.600 -0.151 0.000 1.532 320 M HN 0.498 nan 8.290 nan 0.000 0.497 321 T N -1.658 112.881 114.554 -0.025 0.000 2.904 321 T HA 0.223 4.573 4.350 0.000 0.000 0.290 321 T C -1.673 173.085 174.700 0.096 0.000 1.018 321 T CA -1.642 60.480 62.100 0.037 0.000 1.075 321 T CB 1.025 69.924 68.868 0.053 0.000 0.986 321 T HN -0.000 nan 8.240 nan 0.000 0.523 322 P HA -0.034 nan 4.420 nan 0.000 0.221 322 P C 0.938 178.301 177.300 0.105 0.000 1.150 322 P CA 0.940 64.085 63.100 0.076 0.000 0.800 322 P CB 0.198 31.925 31.700 0.045 0.000 0.787 323 E N -0.445 119.822 120.200 0.111 0.000 2.085 323 E HA -0.156 4.194 4.350 0.000 0.000 0.194 323 E C 1.830 178.540 176.600 0.184 0.000 0.994 323 E CA 1.042 57.514 56.400 0.120 0.000 0.801 323 E CB -1.207 28.552 29.700 0.098 0.000 0.743 323 E HN 0.251 nan 8.360 nan 0.000 0.453 324 F N 1.287 121.280 119.950 0.071 0.000 2.113 324 F HA -0.151 4.376 4.527 0.000 0.000 0.297 324 F C 2.120 178.006 175.800 0.143 0.000 1.103 324 F CA 1.384 59.461 58.000 0.129 0.000 1.248 324 F CB -0.026 39.014 39.000 0.067 0.000 0.999 324 F HN -0.169 nan 8.300 nan 0.000 0.475 325 K N 0.642 121.224 120.400 0.304 0.000 2.059 325 K HA -0.294 4.026 4.320 0.000 0.000 0.212 325 K C 2.068 178.689 176.600 0.035 0.000 1.050 325 K CA 2.037 58.416 56.287 0.154 0.000 0.927 325 K CB -0.459 32.108 32.500 0.112 0.000 0.714 325 K HN 0.342 nan 8.250 nan 0.000 0.447 326 E N -0.836 119.395 120.200 0.051 0.000 2.072 326 E HA -0.201 4.149 4.350 0.000 0.000 0.191 326 E C 1.916 178.511 176.600 -0.010 0.000 0.985 326 E CA 1.279 57.693 56.400 0.022 0.000 0.801 326 E CB -0.578 29.151 29.700 0.048 0.000 0.750 326 E HN 0.428 nan 8.360 nan 0.000 0.452 327 Y N 1.051 121.276 120.300 -0.124 0.000 2.102 327 Y HA -0.295 4.255 4.550 0.000 0.000 0.280 327 Y C 2.180 177.948 175.900 -0.221 0.000 1.178 327 Y CA 2.467 60.458 58.100 -0.182 0.000 1.146 327 Y CB -0.748 37.535 38.460 -0.295 0.000 0.968 327 Y HN 0.114 nan 8.280 nan 0.000 0.504 328 Q N 0.461 119.906 119.800 -0.591 0.000 2.050 328 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 328 Q C 2.411 178.198 176.000 -0.354 0.000 0.980 328 Q CA 1.989 57.426 55.803 -0.611 0.000 0.840 328 Q CB -0.274 28.236 28.738 -0.380 0.000 0.898 328 Q HN 0.493 nan 8.270 nan 0.000 0.424 329 R N -0.398 119.980 120.500 -0.204 0.000 2.103 329 R HA -0.233 4.107 4.340 0.000 0.000 0.242 329 R C 2.238 178.453 176.300 -0.142 0.000 1.142 329 R CA 1.622 57.645 56.100 -0.127 0.000 0.960 329 R CB -0.265 29.994 30.300 -0.068 0.000 0.858 329 R HN 0.254 nan 8.270 nan 0.000 0.439 330 Q N 0.821 120.526 119.800 -0.159 0.000 2.050 330 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 330 Q C 2.047 177.939 176.000 -0.181 0.000 0.980 330 Q CA 1.564 57.295 55.803 -0.120 0.000 0.840 330 Q CB -0.239 28.466 28.738 -0.055 0.000 0.898 330 Q HN 0.135 nan 8.270 nan 0.000 0.424 331 V N -0.507 119.211 119.914 -0.327 0.000 2.252 331 V HA -0.289 3.831 4.120 0.000 0.000 0.249 331 V C 2.289 178.245 176.094 -0.231 0.000 1.056 331 V CA 1.877 63.985 62.300 -0.321 0.000 1.022 331 V CB -0.804 30.728 31.823 -0.484 0.000 0.641 331 V HN 0.262 nan 8.190 nan 0.000 0.445 332 V N -0.050 119.749 119.914 -0.192 0.000 2.407 332 V HA -0.239 3.881 4.120 0.000 0.000 0.248 332 V C 2.630 178.637 176.094 -0.144 0.000 1.055 332 V CA 1.986 64.204 62.300 -0.136 0.000 1.049 332 V CB -0.942 30.824 31.823 -0.096 0.000 0.662 332 V HN 0.577 nan 8.190 nan 0.000 0.455 333 A N -0.006 122.734 122.820 -0.134 0.000 1.930 333 A HA -0.187 4.133 4.320 0.000 0.000 0.217 333 A C 2.083 179.572 177.584 -0.160 0.000 1.175 333 A CA 1.698 53.668 52.037 -0.111 0.000 0.627 333 A CB -0.582 18.375 19.000 -0.072 0.000 0.815 333 A HN 0.580 nan 8.150 nan 0.000 0.443 334 N N -0.065 118.493 118.700 -0.237 0.000 2.069 334 N HA -0.186 4.554 4.740 0.000 0.000 0.191 334 N C 1.889 177.050 175.510 -0.583 0.000 1.031 334 N CA 1.579 54.353 53.050 -0.460 0.000 0.852 334 N CB -1.028 37.018 38.487 -0.734 0.000 1.018 334 N HN 0.575 nan 8.380 nan 0.000 0.423 335 C N 1.846 120.864 119.300 -0.469 0.000 2.398 335 C HA -0.098 4.362 4.460 0.000 0.000 0.276 335 C C 2.778 177.632 174.990 -0.227 0.000 1.222 335 C CA 0.885 59.695 59.018 -0.346 0.000 1.746 335 C CB -0.949 26.654 27.740 -0.228 0.000 2.039 335 C HN 0.415 nan 8.230 nan 0.000 0.470 336 R N 0.345 120.743 120.500 -0.170 0.000 2.080 336 R HA -0.147 4.193 4.340 0.000 0.000 0.236 336 R C 2.515 178.762 176.300 -0.089 0.000 1.137 336 R CA 1.901 57.935 56.100 -0.109 0.000 0.943 336 R CB -0.672 29.579 30.300 -0.082 0.000 0.846 336 R HN 0.648 nan 8.270 nan 0.000 0.431 337 A N 1.084 123.851 122.820 -0.089 0.000 1.908 337 A HA -0.187 4.133 4.320 0.000 0.000 0.218 337 A C 2.083 179.656 177.584 -0.018 0.000 1.181 337 A CA 1.300 53.316 52.037 -0.034 0.000 0.627 337 A CB -0.560 18.439 19.000 -0.000 0.000 0.818 337 A HN 0.287 nan 8.150 nan 0.000 0.445 338 L N -0.181 121.002 121.223 -0.066 0.000 2.017 338 L HA -0.119 4.221 4.340 0.000 0.000 0.208 338 L C 2.587 179.439 176.870 -0.029 0.000 1.073 338 L CA 2.707 57.542 54.840 -0.009 0.000 0.745 338 L CB -0.862 41.154 42.059 -0.071 0.000 0.894 338 L HN 0.346 nan 8.230 nan 0.000 0.432 339 S N -0.846 114.814 115.700 -0.067 0.000 2.368 339 S HA -0.180 4.290 4.470 0.000 0.000 0.225 339 S C 2.147 176.729 174.600 -0.030 0.000 1.030 339 S CA 1.301 59.467 58.200 -0.057 0.000 0.999 339 S CB -0.521 62.635 63.200 -0.073 0.000 0.844 339 S HN 0.678 nan 8.310 nan 0.000 0.459 340 A N 1.415 124.220 122.820 -0.025 0.000 1.877 340 A HA 0.176 4.496 4.320 0.000 0.000 0.216 340 A C 2.491 180.077 177.584 0.002 0.000 1.186 340 A CA 1.928 53.959 52.037 -0.010 0.000 0.620 340 A CB -1.457 17.538 19.000 -0.008 0.000 0.822 340 A HN 0.781 nan 8.150 nan 0.000 0.443 341 A N -0.472 122.355 122.820 0.011 0.000 1.908 341 A HA -0.062 4.258 4.320 0.000 0.000 0.218 341 A C 2.172 179.754 177.584 -0.004 0.000 1.181 341 A CA 1.575 53.626 52.037 0.024 0.000 0.627 341 A CB -0.556 18.480 19.000 0.060 0.000 0.818 341 A HN 0.477 nan 8.150 nan 0.000 0.445 342 L N -0.788 120.426 121.223 -0.015 0.000 2.156 342 L HA -0.100 4.240 4.340 0.000 0.000 0.208 342 L C 2.474 179.404 176.870 0.100 0.000 1.095 342 L CA 0.554 55.386 54.840 -0.013 0.000 0.770 342 L CB -0.301 41.690 42.059 -0.113 0.000 0.914 342 L HN 0.246 nan 8.230 nan 0.000 0.439 343 V N -0.042 119.900 119.914 0.047 0.000 2.295 343 V HA -0.314 3.806 4.120 0.000 0.000 0.246 343 V C 2.419 178.526 176.094 0.022 0.000 1.049 343 V CA 2.036 64.362 62.300 0.043 0.000 1.024 343 V CB -0.397 31.434 31.823 0.014 0.000 0.648 343 V HN 0.491 nan 8.190 nan 0.000 0.447 344 E N -0.143 120.060 120.200 0.005 0.000 2.160 344 E HA -0.203 4.147 4.350 0.000 0.000 0.195 344 E C 1.949 178.521 176.600 -0.047 0.000 0.991 344 E CA 1.034 57.425 56.400 -0.015 0.000 0.810 344 E CB -0.103 29.593 29.700 -0.007 0.000 0.742 344 E HN 0.558 nan 8.360 nan 0.000 0.466 345 L N -0.602 120.589 121.223 -0.054 0.000 2.610 345 L HA 0.108 4.448 4.340 0.000 0.000 0.232 345 L C 1.258 178.033 176.870 -0.158 0.000 1.149 345 L CA 0.489 55.233 54.840 -0.160 0.000 0.872 345 L CB 0.114 42.022 42.059 -0.252 0.000 0.992 345 L HN 0.438 nan 8.230 nan 0.000 0.447 346 G N -1.444 107.306 108.800 -0.083 0.000 2.131 346 G HA2 -0.299 3.661 3.960 0.000 0.000 0.223 346 G HA3 -0.299 3.661 3.960 0.000 0.000 0.223 346 G C -0.103 174.674 174.900 -0.204 0.000 0.990 346 G CA -0.492 44.519 45.100 -0.148 0.000 0.671 346 G HN 0.234 nan 8.290 nan 0.000 0.521 347 Y N -0.082 120.184 120.300 -0.058 0.000 2.307 347 Y HA 0.605 5.155 4.550 0.000 0.000 0.324 347 Y C 0.713 176.594 175.900 -0.031 0.000 1.238 347 Y CA -0.505 57.575 58.100 -0.033 0.000 1.280 347 Y CB 1.172 39.616 38.460 -0.027 0.000 1.248 347 Y HN 0.073 nan 8.280 nan 0.000 0.508 348 K N 3.182 123.656 120.400 0.123 0.000 2.234 348 K HA 0.391 4.711 4.320 0.000 0.000 0.277 348 K C -1.552 175.079 176.600 0.051 0.000 1.038 348 K CA -0.165 56.156 56.287 0.057 0.000 0.888 348 K CB 0.215 32.730 32.500 0.025 0.000 1.091 348 K HN 0.465 nan 8.250 nan 0.000 0.467 349 I N 5.844 126.425 120.570 0.019 0.000 2.321 349 I HA 0.198 4.368 4.170 0.000 0.000 0.291 349 I C -0.161 175.931 176.117 -0.040 0.000 0.998 349 I CA -1.046 60.245 61.300 -0.016 0.000 1.227 349 I CB 1.341 39.322 38.000 -0.033 0.000 1.368 349 I HN 0.376 nan 8.210 nan 0.000 0.466 350 V N 5.980 125.858 119.914 -0.060 0.000 2.617 350 V HA 0.016 4.136 4.120 0.000 0.000 0.304 350 V C 1.416 177.426 176.094 -0.140 0.000 1.040 350 V CA 0.933 63.184 62.300 -0.082 0.000 1.149 350 V CB -0.014 31.756 31.823 -0.088 0.000 0.914 350 V HN 1.097 nan 8.190 nan 0.000 0.487 351 T N 1.213 115.693 114.554 -0.123 0.000 5.221 351 T HA -0.241 4.109 4.350 0.000 0.000 0.299 351 T C 1.436 176.099 174.700 -0.062 0.000 1.489 351 T CA 1.383 63.394 62.100 -0.149 0.000 2.593 351 T CB -2.026 66.519 68.868 -0.537 0.000 1.859 351 T HN 2.722 nan 8.240 nan 0.000 0.982 352 G N -0.682 108.093 108.800 -0.042 0.000 2.238 352 G HA2 0.173 4.133 3.960 0.000 0.000 0.270 352 G HA3 0.173 4.133 3.960 0.000 0.000 0.270 352 G C 1.314 176.190 174.900 -0.039 0.000 0.977 352 G CA 1.000 46.086 45.100 -0.022 0.000 0.639 352 G HN 2.450 nan 8.290 nan 0.000 0.544 353 G N -2.217 106.537 108.800 -0.075 0.000 2.500 353 G HA2 0.733 4.693 3.960 0.000 0.000 0.299 353 G HA3 0.733 4.693 3.960 0.000 0.000 0.299 353 G C -0.896 173.926 174.900 -0.130 0.000 1.242 353 G CA 0.689 45.740 45.100 -0.082 0.000 0.859 353 G HN 1.535 nan 8.290 nan 0.000 0.481 354 S N -1.564 114.066 115.700 -0.117 0.000 2.579 354 S HA 0.600 5.070 4.470 0.000 0.000 0.272 354 S C -1.165 173.374 174.600 -0.101 0.000 1.141 354 S CA -0.382 57.732 58.200 -0.144 0.000 0.843 354 S CB 2.067 65.174 63.200 -0.154 0.000 1.122 354 S HN 0.412 nan 8.310 nan 0.000 0.468 355 D N 1.254 121.596 120.400 -0.096 0.000 2.433 355 D HA 0.203 4.843 4.640 0.000 0.000 0.211 355 D C 0.167 176.454 176.300 -0.021 0.000 1.114 355 D CA 0.286 54.259 54.000 -0.046 0.000 0.837 355 D CB 0.339 41.124 40.800 -0.025 0.000 0.984 355 D HN 0.656 nan 8.370 nan 0.000 0.505 356 N N -0.768 117.914 118.700 -0.030 0.000 3.614 356 N HA -0.033 4.707 4.740 0.000 0.000 0.341 356 N C 0.868 176.394 175.510 0.025 0.000 1.567 356 N CA -0.394 52.684 53.050 0.047 0.000 0.641 356 N CB -0.249 38.347 38.487 0.183 0.000 2.734 356 N HN -0.175 nan 8.380 nan 0.000 0.604 357 H N -0.575 118.457 119.070 -0.064 0.000 2.539 357 H HA 0.358 4.914 4.556 0.000 0.000 0.267 357 H C -0.116 175.173 175.328 -0.065 0.000 0.982 357 H CA -0.103 55.899 56.048 -0.077 0.000 1.146 357 H CB -0.581 29.157 29.762 -0.039 0.000 1.382 357 H HN 0.525 nan 8.280 nan 0.000 0.577 358 L N -0.648 120.297 121.223 -0.462 0.000 2.409 358 L HA 0.690 5.030 4.340 0.000 0.000 0.255 358 L C -0.998 175.719 176.870 -0.256 0.000 1.027 358 L CA -1.648 52.967 54.840 -0.375 0.000 0.834 358 L CB 2.353 44.105 42.059 -0.512 0.000 1.426 358 L HN 0.053 nan 8.230 nan 0.000 0.411 359 I N -0.770 119.686 120.570 -0.190 0.000 2.802 359 I HA 0.669 4.839 4.170 0.000 0.000 0.298 359 I C -1.609 174.434 176.117 -0.124 0.000 1.176 359 I CA -1.072 60.134 61.300 -0.156 0.000 1.025 359 I CB 2.301 40.225 38.000 -0.127 0.000 1.243 359 I HN 0.702 nan 8.210 nan 0.000 0.424 360 L N 6.167 127.322 121.223 -0.114 0.000 2.264 360 L HA 0.513 4.853 4.340 0.000 0.000 0.287 360 L C -0.751 176.085 176.870 -0.055 0.000 1.039 360 L CA -0.306 54.486 54.840 -0.081 0.000 0.829 360 L CB 1.264 43.275 42.059 -0.080 0.000 1.211 360 L HN 0.512 nan 8.230 nan 0.000 0.427 361 V N 4.622 124.513 119.914 -0.038 0.000 2.389 361 V HA 0.175 4.295 4.120 0.000 0.000 0.264 361 V C 0.206 176.317 176.094 0.029 0.000 1.049 361 V CA -0.609 61.688 62.300 -0.004 0.000 0.932 361 V CB 0.808 32.614 31.823 -0.029 0.000 1.011 361 V HN 0.680 nan 8.190 nan 0.000 0.475 362 D N 4.931 125.354 120.400 0.038 0.000 2.367 362 D HA 0.091 4.731 4.640 0.000 0.000 0.255 362 D C 0.925 177.268 176.300 0.072 0.000 1.300 362 D CA 0.061 54.083 54.000 0.036 0.000 0.959 362 D CB 0.920 41.731 40.800 0.019 0.000 1.064 362 D HN 0.514 nan 8.370 nan 0.000 0.509 363 L N 3.544 124.811 121.223 0.073 0.000 2.622 363 L HA 0.018 4.358 4.340 0.000 0.000 0.233 363 L C 2.401 179.293 176.870 0.036 0.000 1.156 363 L CA 0.106 55.004 54.840 0.096 0.000 0.866 363 L CB -0.077 42.033 42.059 0.086 0.000 0.980 363 L HN 0.270 nan 8.230 nan 0.000 0.448 364 R N 0.170 120.678 120.500 0.014 0.000 2.105 364 R HA -0.134 4.206 4.340 0.000 0.000 0.239 364 R C 2.258 178.547 176.300 -0.018 0.000 1.135 364 R CA 1.601 57.697 56.100 -0.006 0.000 0.967 364 R CB -0.242 30.053 30.300 -0.008 0.000 0.861 364 R HN 0.420 nan 8.270 nan 0.000 0.442 365 S N 0.221 115.908 115.700 -0.021 0.000 2.723 365 S HA 0.024 4.494 4.470 0.000 0.000 0.231 365 S C 0.902 175.439 174.600 -0.105 0.000 0.967 365 S CA 0.672 58.838 58.200 -0.057 0.000 0.958 365 S CB 0.203 63.369 63.200 -0.058 0.000 0.778 365 S HN 0.094 nan 8.310 nan 0.000 0.537 366 K N -0.087 120.268 120.400 -0.075 0.000 2.582 366 K HA 0.281 4.601 4.320 0.000 0.000 0.204 366 K C 0.872 177.450 176.600 -0.038 0.000 1.221 366 K CA 0.403 56.639 56.287 -0.086 0.000 1.048 366 K CB 0.524 32.972 32.500 -0.086 0.000 1.011 366 K HN 0.420 nan 8.250 nan 0.000 0.597 367 G N 1.885 110.667 108.800 -0.031 0.000 2.221 367 G HA2 -0.265 3.695 3.960 0.000 0.000 0.265 367 G HA3 -0.265 3.695 3.960 0.000 0.000 0.265 367 G C 0.170 175.054 174.900 -0.026 0.000 1.041 367 G CA 1.307 46.392 45.100 -0.025 0.000 0.807 367 G HN 0.349 nan 8.290 nan 0.000 0.502 368 T N -1.004 113.534 114.554 -0.026 0.000 2.647 368 T HA 0.616 4.966 4.350 0.000 0.000 0.295 368 T C -1.355 173.315 174.700 -0.050 0.000 1.126 368 T CA 0.432 62.503 62.100 -0.048 0.000 1.040 368 T CB 1.481 70.327 68.868 -0.037 0.000 1.472 368 T HN 0.651 nan 8.240 nan 0.000 0.500 369 D N -1.349 119.001 120.400 -0.084 0.000 2.523 369 D HA 0.558 5.198 4.640 0.000 0.000 0.236 369 D C 1.179 177.437 176.300 -0.069 0.000 1.094 369 D CA -0.519 53.439 54.000 -0.071 0.000 0.942 369 D CB 0.795 41.541 40.800 -0.091 0.000 1.447 369 D HN 0.622 nan 8.370 nan 0.000 0.479 370 G N -0.172 108.602 108.800 -0.043 0.000 2.448 370 G HA2 -0.093 3.867 3.960 0.000 0.000 0.219 370 G HA3 -0.093 3.867 3.960 0.000 0.000 0.219 370 G C 1.293 176.167 174.900 -0.044 0.000 1.127 370 G CA 0.620 45.702 45.100 -0.031 0.000 0.766 370 G HN 0.606 nan 8.290 nan 0.000 0.552 371 G N 0.829 109.588 108.800 -0.069 0.000 2.459 371 G HA2 -0.217 3.744 3.960 0.000 0.000 0.217 371 G HA3 -0.217 3.744 3.960 0.000 0.000 0.217 371 G C 1.962 176.805 174.900 -0.094 0.000 1.183 371 G CA 0.883 45.940 45.100 -0.072 0.000 0.776 371 G HN 0.471 nan 8.290 nan 0.000 0.552 372 R N 0.438 120.798 120.500 -0.234 0.000 2.073 372 R HA 0.187 4.527 4.340 0.000 0.000 0.229 372 R C 3.025 179.296 176.300 -0.049 0.000 1.120 372 R CA 0.953 56.816 56.100 -0.395 0.000 0.967 372 R CB -0.367 29.250 30.300 -1.137 0.000 0.862 372 R HN 0.335 nan 8.270 nan 0.000 0.436 373 A N 2.186 124.974 122.820 -0.054 0.000 1.933 373 A HA -0.235 4.085 4.320 0.000 0.000 0.218 373 A C 2.103 179.716 177.584 0.048 0.000 1.175 373 A CA 1.762 53.814 52.037 0.026 0.000 0.628 373 A CB -0.482 18.528 19.000 0.016 0.000 0.814 373 A HN 0.562 nan 8.150 nan 0.000 0.444 374 E N -0.523 119.696 120.200 0.032 0.000 2.110 374 E HA -0.224 4.127 4.350 0.000 0.000 0.193 374 E C 1.693 178.327 176.600 0.058 0.000 0.988 374 E CA 1.229 57.652 56.400 0.038 0.000 0.804 374 E CB -0.236 29.479 29.700 0.025 0.000 0.745 374 E HN 0.321 nan 8.360 nan 0.000 0.458 375 K N 0.817 121.267 120.400 0.083 0.000 2.097 375 K HA -0.037 4.283 4.320 0.000 0.000 0.205 375 K C 2.298 178.955 176.600 0.095 0.000 1.050 375 K CA 1.031 57.377 56.287 0.098 0.000 0.938 375 K CB -0.240 32.346 32.500 0.145 0.000 0.718 375 K HN 0.140 nan 8.250 nan 0.000 0.442 376 V N 1.890 121.880 119.914 0.126 0.000 2.307 376 V HA -0.201 3.919 4.120 0.000 0.000 0.245 376 V C 2.473 178.603 176.094 0.060 0.000 1.045 376 V CA 1.338 63.693 62.300 0.092 0.000 1.024 376 V CB -0.502 31.396 31.823 0.124 0.000 0.651 376 V HN 0.168 nan 8.190 nan 0.000 0.449 377 L N 0.001 121.260 121.223 0.061 0.000 2.079 377 L HA -0.248 4.092 4.340 0.000 0.000 0.210 377 L C 2.618 179.511 176.870 0.038 0.000 1.081 377 L CA 2.033 56.902 54.840 0.048 0.000 0.752 377 L CB -0.592 41.496 42.059 0.049 0.000 0.896 377 L HN 0.457 nan 8.230 nan 0.000 0.433 378 E N 0.406 120.630 120.200 0.040 0.000 2.058 378 E HA -0.270 4.080 4.350 0.000 0.000 0.194 378 E C 2.213 178.826 176.600 0.023 0.000 0.997 378 E CA 1.262 57.682 56.400 0.033 0.000 0.801 378 E CB -0.042 29.680 29.700 0.036 0.000 0.746 378 E HN 0.477 nan 8.360 nan 0.000 0.450 379 A N 0.111 122.944 122.820 0.022 0.000 2.076 379 A HA -0.168 4.152 4.320 0.000 0.000 0.220 379 A C 2.135 179.721 177.584 0.004 0.000 1.160 379 A CA 1.262 53.306 52.037 0.011 0.000 0.653 379 A CB -0.490 18.515 19.000 0.008 0.000 0.801 379 A HN 0.480 nan 8.150 nan 0.000 0.455 380 C N -0.538 118.765 119.300 0.005 0.000 2.673 380 C HA 0.372 4.832 4.460 0.000 0.000 0.274 380 C C 1.397 176.372 174.990 -0.026 0.000 1.276 380 C CA 0.409 59.419 59.018 -0.014 0.000 1.701 380 C CB -1.440 26.294 27.740 -0.009 0.000 1.836 380 C HN 0.635 nan 8.230 nan 0.000 0.596 381 S N 0.157 115.854 115.700 -0.006 0.000 3.482 381 S HA -0.178 4.292 4.470 0.000 0.000 0.294 381 S C -0.049 174.557 174.600 0.010 0.000 1.244 381 S CA 0.505 58.705 58.200 -0.000 0.000 0.911 381 S CB -1.540 61.652 63.200 -0.013 0.000 1.070 381 S HN 0.741 nan 8.310 nan 0.000 0.614 382 I N 1.805 122.387 120.570 0.019 0.000 2.307 382 I HA 0.488 4.658 4.170 0.000 0.000 0.287 382 I C 0.530 176.675 176.117 0.047 0.000 1.054 382 I CA -0.299 61.025 61.300 0.040 0.000 1.218 382 I CB 1.122 39.152 38.000 0.050 0.000 1.398 382 I HN 0.344 nan 8.210 nan 0.000 0.475 383 A N 6.617 129.468 122.820 0.052 0.000 2.362 383 A HA 0.658 4.978 4.320 0.000 0.000 0.276 383 A C 0.002 177.617 177.584 0.052 0.000 1.153 383 A CA -0.254 51.812 52.037 0.050 0.000 0.813 383 A CB 0.265 19.296 19.000 0.051 0.000 1.081 383 A HN 0.988 nan 8.150 nan 0.000 0.507 384 C N 1.514 120.840 119.300 0.043 0.000 3.253 384 C HA 0.837 5.297 4.460 0.000 0.000 0.362 384 C C -1.310 173.699 174.990 0.031 0.000 1.487 384 C CA -0.579 58.462 59.018 0.039 0.000 1.179 384 C CB 1.252 29.013 27.740 0.036 0.000 1.660 384 C HN 1.124 nan 8.230 nan 0.000 0.438 385 N N 0.108 118.822 118.700 0.023 0.000 2.494 385 N HA 0.449 5.189 4.740 0.000 0.000 0.270 385 N C -1.465 174.046 175.510 0.003 0.000 1.285 385 N CA -0.605 52.454 53.050 0.015 0.000 0.812 385 N CB 1.959 40.457 38.487 0.019 0.000 1.557 385 N HN 1.036 nan 8.380 nan 0.000 0.487 386 K N 0.068 120.466 120.400 -0.003 0.000 2.120 386 K HA 0.357 4.677 4.320 0.000 0.000 0.245 386 K C -0.658 175.929 176.600 -0.022 0.000 1.024 386 K CA -0.582 55.697 56.287 -0.014 0.000 0.906 386 K CB 0.689 33.178 32.500 -0.018 0.000 1.051 386 K HN 0.773 nan 8.250 nan 0.000 0.491 387 N N -0.030 118.654 118.700 -0.027 0.000 3.270 387 N HA -0.012 4.728 4.740 0.000 0.000 0.227 387 N C -1.619 173.872 175.510 -0.032 0.000 1.071 387 N CA -0.426 52.603 53.050 -0.035 0.000 1.073 387 N CB 1.196 39.660 38.487 -0.037 0.000 1.633 387 N HN 0.890 nan 8.380 nan 0.000 0.664 388 T N 0.371 114.904 114.554 -0.034 0.000 2.939 388 T HA 0.183 4.533 4.350 0.000 0.000 0.319 388 T C 0.491 175.177 174.700 -0.023 0.000 1.082 388 T CA -0.041 62.043 62.100 -0.027 0.000 1.133 388 T CB -0.022 68.829 68.868 -0.027 0.000 1.019 388 T HN 0.397 nan 8.240 nan 0.000 0.548 389 C N 4.974 124.264 119.300 -0.017 0.000 2.365 389 C HA 0.432 4.892 4.460 0.000 0.000 0.349 389 C C -0.521 174.465 174.990 -0.006 0.000 1.191 389 C CA -1.243 57.768 59.018 -0.012 0.000 2.114 389 C CB 1.045 28.779 27.740 -0.010 0.000 2.367 389 C HN 0.726 nan 8.230 nan 0.000 0.530 390 P HA -0.175 nan 4.420 nan 0.000 0.219 390 P C 1.451 178.754 177.300 0.006 0.000 1.158 390 P CA 2.339 65.445 63.100 0.009 0.000 0.895 390 P CB 0.049 31.762 31.700 0.022 0.000 0.792 391 G N -0.556 108.247 108.800 0.005 0.000 2.575 391 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 391 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 391 G C 0.017 174.916 174.900 -0.001 0.000 1.262 391 G CA 0.362 45.464 45.100 0.003 0.000 0.807 391 G HN 0.168 nan 8.290 nan 0.000 0.567 392 D N 0.111 120.508 120.400 -0.005 0.000 6.755 392 D HA -0.108 4.532 4.640 0.000 0.000 0.101 392 D C 1.147 177.443 176.300 -0.007 0.000 1.006 392 D CA 0.772 54.767 54.000 -0.008 0.000 0.724 392 D CB 0.416 41.209 40.800 -0.012 0.000 1.450 392 D HN 0.144 nan 8.370 nan 0.000 0.822 393 K N 0.603 120.999 120.400 -0.007 0.000 2.211 393 K HA 0.032 4.352 4.320 0.000 0.000 0.201 393 K C 0.839 177.436 176.600 -0.006 0.000 1.052 393 K CA 0.330 56.614 56.287 -0.006 0.000 0.973 393 K CB 0.372 32.869 32.500 -0.006 0.000 0.766 393 K HN 0.251 nan 8.250 nan 0.000 0.466 394 S N -0.815 114.880 115.700 -0.009 0.000 2.482 394 S HA 0.599 5.069 4.470 0.000 0.000 0.303 394 S C 0.346 174.941 174.600 -0.010 0.000 1.091 394 S CA -0.547 57.649 58.200 -0.008 0.000 1.057 394 S CB 1.600 64.794 63.200 -0.011 0.000 1.031 394 S HN 0.180 nan 8.310 nan 0.000 0.485 395 A N 4.565 127.382 122.820 -0.005 0.000 2.218 395 A HA 0.291 4.611 4.320 0.000 0.000 0.209 395 A C 0.889 178.467 177.584 -0.010 0.000 1.168 395 A CA 0.307 52.340 52.037 -0.007 0.000 0.804 395 A CB -0.163 18.840 19.000 0.005 0.000 0.834 395 A HN 0.701 nan 8.150 nan 0.000 0.482 396 L N -0.445 120.773 121.223 -0.009 0.000 2.912 396 L HA 0.361 4.701 4.340 0.000 0.000 0.240 396 L C 0.755 177.610 176.870 -0.024 0.000 1.262 396 L CA 0.612 55.445 54.840 -0.012 0.000 1.058 396 L CB -1.020 41.036 42.059 -0.005 0.000 1.383 396 L HN 0.570 nan 8.230 nan 0.000 0.512 397 R N 1.499 121.981 120.500 -0.030 0.000 2.610 397 R HA 0.115 4.455 4.340 0.000 0.000 0.174 397 R C -2.797 173.479 176.300 -0.040 0.000 1.305 397 R CA -0.576 55.498 56.100 -0.044 0.000 1.130 397 R CB 0.725 30.999 30.300 -0.044 0.000 1.433 397 R HN -0.096 nan 8.270 nan 0.000 0.735 398 P HA 0.050 nan 4.420 nan 0.000 0.265 398 P C 0.093 177.374 177.300 -0.032 0.000 1.193 398 P CA 0.243 63.324 63.100 -0.032 0.000 0.765 398 P CB 1.721 33.402 31.700 -0.032 0.000 0.823 399 S N 1.549 117.235 115.700 -0.024 0.000 2.414 399 S HA 0.063 4.533 4.470 0.000 0.000 0.227 399 S C 1.287 175.882 174.600 -0.008 0.000 1.022 399 S CA 0.897 59.087 58.200 -0.017 0.000 0.958 399 S CB -0.216 62.977 63.200 -0.011 0.000 0.797 399 S HN 0.757 nan 8.310 nan 0.000 0.493 400 G N 0.324 109.117 108.800 -0.012 0.000 2.488 400 G HA2 0.661 4.621 3.960 0.000 0.000 0.318 400 G HA3 0.661 4.621 3.960 0.000 0.000 0.318 400 G C -1.160 173.733 174.900 -0.012 0.000 1.188 400 G CA -0.570 44.525 45.100 -0.009 0.000 0.944 400 G HN 0.262 nan 8.290 nan 0.000 0.495 401 L N 0.149 121.365 121.223 -0.012 0.000 2.386 401 L HA 0.545 4.885 4.340 0.000 0.000 0.271 401 L C 0.162 177.016 176.870 -0.027 0.000 0.993 401 L CA -0.861 53.971 54.840 -0.014 0.000 0.819 401 L CB 2.428 44.481 42.059 -0.010 0.000 1.294 401 L HN 0.493 nan 8.230 nan 0.000 0.414 402 R N 3.698 124.183 120.500 -0.025 0.000 2.407 402 R HA 0.762 5.102 4.340 0.000 0.000 0.303 402 R C -1.661 174.624 176.300 -0.025 0.000 0.981 402 R CA -0.514 55.562 56.100 -0.040 0.000 0.905 402 R CB 1.069 31.346 30.300 -0.040 0.000 1.099 402 R HN 0.562 nan 8.270 nan 0.000 0.459 403 L N 3.219 124.417 121.223 -0.042 0.000 2.410 403 L HA 0.611 4.951 4.340 0.000 0.000 0.270 403 L C 0.046 176.894 176.870 -0.037 0.000 0.983 403 L CA -0.988 53.843 54.840 -0.014 0.000 0.822 403 L CB 2.309 44.362 42.059 -0.010 0.000 1.285 403 L HN 0.811 nan 8.230 nan 0.000 0.409 404 G N -0.473 108.337 108.800 0.018 0.000 2.533 404 G HA2 0.528 4.488 3.960 0.000 0.000 0.304 404 G HA3 0.528 4.488 3.960 0.000 0.000 0.304 404 G C 0.309 175.263 174.900 0.090 0.000 1.263 404 G CA -0.065 45.048 45.100 0.022 0.000 0.964 404 G HN 0.608 nan 8.290 nan 0.000 0.479 405 T N -1.903 112.692 114.554 0.068 0.000 3.010 405 T HA 0.263 4.614 4.350 0.000 0.000 0.257 405 T C -0.938 173.860 174.700 0.164 0.000 1.020 405 T CA -0.082 62.079 62.100 0.101 0.000 0.938 405 T CB 0.421 69.140 68.868 -0.247 0.000 1.049 405 T HN 0.232 nan 8.240 nan 0.000 0.522 406 P HA -0.105 nan 4.420 nan 0.000 0.214 406 P C 1.947 179.384 177.300 0.228 0.000 1.169 406 P CA 1.991 65.189 63.100 0.164 0.000 0.908 406 P CB -0.342 31.434 31.700 0.127 0.000 0.791 407 A N -0.569 122.325 122.820 0.123 0.000 1.849 407 A HA -0.224 4.096 4.320 0.000 0.000 0.217 407 A C 2.306 180.056 177.584 0.278 0.000 1.202 407 A CA 1.958 54.032 52.037 0.062 0.000 0.629 407 A CB -1.792 17.125 19.000 -0.138 0.000 0.834 407 A HN 0.105 nan 8.150 nan 0.000 0.447 408 L N -0.621 120.741 121.223 0.232 0.000 2.127 408 L HA -0.178 4.162 4.340 0.000 0.000 0.211 408 L C 2.722 179.668 176.870 0.126 0.000 1.089 408 L CA 1.686 56.596 54.840 0.118 0.000 0.757 408 L CB -0.719 41.321 42.059 -0.032 0.000 0.899 408 L HN 0.429 nan 8.230 nan 0.000 0.434 409 T N -1.483 113.251 114.554 0.300 0.000 2.821 409 T HA -0.130 4.220 4.350 0.000 0.000 0.267 409 T C 1.982 176.883 174.700 0.336 0.000 1.046 409 T CA 1.433 63.725 62.100 0.320 0.000 1.139 409 T CB -0.056 68.980 68.868 0.281 0.000 0.871 409 T HN 0.256 nan 8.240 nan 0.000 0.454 410 S N 0.951 116.866 115.700 0.359 0.000 2.547 410 S HA 0.021 4.492 4.470 0.000 0.000 0.235 410 S C 1.819 176.480 174.600 0.102 0.000 0.980 410 S CA 0.567 58.853 58.200 0.145 0.000 0.941 410 S CB -0.115 63.150 63.200 0.108 0.000 0.763 410 S HN 0.451 nan 8.310 nan 0.000 0.532 411 R N -0.116 120.441 120.500 0.096 0.000 2.312 411 R HA 0.211 4.551 4.340 0.000 0.000 0.205 411 R C 1.524 177.851 176.300 0.045 0.000 0.904 411 R CA 0.597 56.701 56.100 0.007 0.000 1.052 411 R CB 0.294 30.541 30.300 -0.089 0.000 1.014 411 R HN 0.429 nan 8.270 nan 0.000 0.503 412 G N 0.552 109.389 108.800 0.061 0.000 2.184 412 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 412 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 412 G C 0.141 175.101 174.900 0.100 0.000 0.995 412 G CA -0.635 44.538 45.100 0.122 0.000 0.651 412 G HN 0.029 nan 8.290 nan 0.000 0.511 413 L N 0.958 122.109 121.223 -0.121 0.000 2.514 413 L HA 0.373 4.713 4.340 0.000 0.000 0.280 413 L C 1.115 178.081 176.870 0.160 0.000 1.223 413 L CA 0.892 55.638 54.840 -0.158 0.000 0.864 413 L CB 0.271 41.995 42.059 -0.558 0.000 1.118 413 L HN 0.209 nan 8.230 nan 0.000 0.494 414 L N 1.477 122.828 121.223 0.213 0.000 2.235 414 L HA 0.309 4.649 4.340 0.000 0.000 0.260 414 L C 1.213 178.266 176.870 0.304 0.000 1.025 414 L CA -0.827 54.157 54.840 0.241 0.000 0.836 414 L CB 0.966 43.126 42.059 0.168 0.000 1.395 414 L HN 0.420 nan 8.230 nan 0.000 0.443 415 E N 0.165 120.491 120.200 0.211 0.000 2.086 415 E HA -0.262 4.088 4.350 0.000 0.000 0.205 415 E C 1.722 178.438 176.600 0.193 0.000 1.027 415 E CA 1.938 58.449 56.400 0.184 0.000 0.830 415 E CB -0.091 29.665 29.700 0.093 0.000 0.751 415 E HN 0.343 nan 8.360 nan 0.000 0.456 416 K N 0.348 120.837 120.400 0.149 0.000 2.074 416 K HA -0.192 4.128 4.320 0.000 0.000 0.209 416 K C 1.747 178.438 176.600 0.151 0.000 1.048 416 K CA 1.572 57.930 56.287 0.119 0.000 0.926 416 K CB -0.198 32.363 32.500 0.101 0.000 0.713 416 K HN 0.220 nan 8.250 nan 0.000 0.444 417 D N 0.203 120.737 120.400 0.223 0.000 2.104 417 D HA -0.167 4.473 4.640 0.000 0.000 0.194 417 D C 1.858 178.249 176.300 0.151 0.000 0.994 417 D CA 1.246 55.423 54.000 0.295 0.000 0.830 417 D CB -0.336 40.613 40.800 0.249 0.000 0.959 417 D HN 0.120 nan 8.370 nan 0.000 0.452 418 F N 1.610 121.641 119.950 0.135 0.000 2.216 418 F HA -0.114 4.413 4.527 0.000 0.000 0.300 418 F C 2.650 178.481 175.800 0.053 0.000 1.085 418 F CA 0.965 59.020 58.000 0.092 0.000 1.326 418 F CB -0.266 38.764 39.000 0.050 0.000 1.027 418 F HN -0.050 nan 8.300 nan 0.000 0.497 419 Q N -0.106 119.807 119.800 0.188 0.000 2.124 419 Q HA -0.252 4.088 4.340 0.000 0.000 0.202 419 Q C 2.163 178.163 176.000 -0.000 0.000 0.977 419 Q CA 1.561 57.424 55.803 0.100 0.000 0.850 419 Q CB -0.321 28.447 28.738 0.050 0.000 0.901 419 Q HN 0.387 nan 8.270 nan 0.000 0.429 420 K N 0.519 120.833 120.400 -0.144 0.000 2.097 420 K HA -0.110 4.210 4.320 0.000 0.000 0.205 420 K C 2.031 178.364 176.600 -0.445 0.000 1.050 420 K CA 0.799 56.810 56.287 -0.460 0.000 0.938 420 K CB 0.108 32.207 32.500 -0.669 0.000 0.718 420 K HN -0.006 nan 8.250 nan 0.000 0.442 421 V N 1.311 121.161 119.914 -0.106 0.000 2.255 421 V HA -0.297 3.823 4.120 0.000 0.000 0.247 421 V C 2.371 178.543 176.094 0.129 0.000 1.051 421 V CA 2.081 64.456 62.300 0.126 0.000 1.018 421 V CB -0.786 31.108 31.823 0.118 0.000 0.641 421 V HN 0.483 nan 8.190 nan 0.000 0.445 422 A N -0.827 122.063 122.820 0.117 0.000 1.917 422 A HA -0.336 3.984 4.320 0.000 0.000 0.219 422 A C 2.014 179.638 177.584 0.067 0.000 1.182 422 A CA 2.589 54.675 52.037 0.081 0.000 0.633 422 A CB -0.908 18.137 19.000 0.075 0.000 0.819 422 A HN 0.700 nan 8.150 nan 0.000 0.448 423 H N -1.826 117.193 119.070 -0.085 0.000 2.353 423 H HA -0.070 4.486 4.556 0.000 0.000 0.300 423 H C 1.724 177.070 175.328 0.030 0.000 1.090 423 H CA 2.028 58.035 56.048 -0.069 0.000 1.327 423 H CB -0.331 29.285 29.762 -0.243 0.000 1.383 423 H HN 0.520 nan 8.280 nan 0.000 0.508 424 F N 0.043 120.070 119.950 0.128 0.000 2.134 424 F HA -0.131 4.396 4.527 0.000 0.000 0.299 424 F C 2.377 178.213 175.800 0.060 0.000 1.097 424 F CA 0.899 58.942 58.000 0.071 0.000 1.264 424 F CB -0.852 38.172 39.000 0.040 0.000 1.001 424 F HN 0.140 nan 8.300 nan 0.000 0.479 425 I N -0.961 119.754 120.570 0.241 0.000 2.226 425 I HA -0.328 3.842 4.170 0.000 0.000 0.245 425 I C 2.519 178.696 176.117 0.099 0.000 1.100 425 I CA 1.618 62.990 61.300 0.119 0.000 1.374 425 I CB -0.561 37.458 38.000 0.032 0.000 1.057 425 I HN 0.144 nan 8.210 nan 0.000 0.413 426 H N 1.590 120.660 119.070 0.001 0.000 2.321 426 H HA -0.100 4.456 4.556 0.000 0.000 0.300 426 H C 2.340 177.733 175.328 0.109 0.000 1.087 426 H CA 1.660 57.744 56.048 0.060 0.000 1.319 426 H CB 0.025 29.798 29.762 0.019 0.000 1.379 426 H HN 0.037 nan 8.280 nan 0.000 0.501 427 R N -0.255 120.253 120.500 0.012 0.000 2.117 427 R HA -0.107 4.233 4.340 0.000 0.000 0.243 427 R C 2.543 178.838 176.300 -0.008 0.000 1.143 427 R CA 1.114 57.203 56.100 -0.017 0.000 0.968 427 R CB -1.022 29.357 30.300 0.131 0.000 0.863 427 R HN 0.536 nan 8.270 nan 0.000 0.444 428 G N 1.721 110.549 108.800 0.047 0.000 2.414 428 G HA2 -0.191 3.770 3.960 0.000 0.000 0.215 428 G HA3 -0.191 3.770 3.960 0.000 0.000 0.215 428 G C 1.469 176.393 174.900 0.040 0.000 1.188 428 G CA 0.297 45.426 45.100 0.049 0.000 0.783 428 G HN 0.088 nan 8.290 nan 0.000 0.537 429 I N 1.504 122.104 120.570 0.051 0.000 2.264 429 I HA -0.159 4.011 4.170 0.000 0.000 0.248 429 I C 2.586 178.723 176.117 0.033 0.000 1.111 429 I CA 1.191 62.544 61.300 0.089 0.000 1.382 429 I CB -1.235 36.913 38.000 0.247 0.000 1.060 429 I HN 0.388 nan 8.210 nan 0.000 0.418 430 E N 0.460 120.624 120.200 -0.061 0.000 2.051 430 E HA -0.241 4.109 4.350 0.000 0.000 0.192 430 E C 2.210 178.807 176.600 -0.005 0.000 0.991 430 E CA 0.931 57.286 56.400 -0.075 0.000 0.799 430 E CB -0.270 29.329 29.700 -0.167 0.000 0.748 430 E HN 0.243 nan 8.360 nan 0.000 0.449 431 L N 1.343 122.573 121.223 0.011 0.000 1.989 431 L HA -0.182 4.158 4.340 0.000 0.000 0.211 431 L C 2.275 179.175 176.870 0.052 0.000 1.071 431 L CA 2.068 56.934 54.840 0.044 0.000 0.749 431 L CB -0.972 41.116 42.059 0.048 0.000 0.890 431 L HN 0.045 nan 8.230 nan 0.000 0.431 432 T N -0.948 113.649 114.554 0.072 0.000 2.699 432 T HA -0.212 4.138 4.350 0.000 0.000 0.268 432 T C 1.960 176.731 174.700 0.118 0.000 1.036 432 T CA 1.842 64.022 62.100 0.134 0.000 1.147 432 T CB -0.503 68.432 68.868 0.113 0.000 0.862 432 T HN 0.238 nan 8.240 nan 0.000 0.446 433 V N 1.110 121.062 119.914 0.064 0.000 2.358 433 V HA -0.209 3.911 4.120 0.000 0.000 0.246 433 V C 2.613 178.742 176.094 0.059 0.000 1.047 433 V CA 1.660 63.989 62.300 0.048 0.000 1.035 433 V CB -0.729 31.109 31.823 0.025 0.000 0.658 433 V HN 0.458 nan 8.190 nan 0.000 0.452 434 Q N -0.355 119.480 119.800 0.058 0.000 2.077 434 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 434 Q C 2.206 178.254 176.000 0.080 0.000 0.989 434 Q CA 2.230 58.083 55.803 0.083 0.000 0.853 434 Q CB -0.295 28.512 28.738 0.115 0.000 0.907 434 Q HN 0.610 nan 8.270 nan 0.000 0.418 435 I N 0.104 120.649 120.570 -0.041 0.000 2.179 435 I HA -0.315 3.855 4.170 0.000 0.000 0.242 435 I C 2.644 178.790 176.117 0.048 0.000 1.088 435 I CA 1.296 62.446 61.300 -0.251 0.000 1.357 435 I CB -0.448 37.290 38.000 -0.436 0.000 1.051 435 I HN 0.350 nan 8.210 nan 0.000 0.409 436 Q N 0.921 120.854 119.800 0.220 0.000 2.135 436 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 436 Q C 1.407 177.474 176.000 0.111 0.000 0.981 436 Q CA 1.875 57.809 55.803 0.218 0.000 0.856 436 Q CB 0.027 28.817 28.738 0.086 0.000 0.902 436 Q HN 0.479 nan 8.270 nan 0.000 0.425 437 D N 0.143 120.590 120.400 0.080 0.000 2.317 437 D HA -0.091 4.549 4.640 0.000 0.000 0.211 437 D C 0.680 177.021 176.300 0.068 0.000 0.966 437 D CA 0.791 54.827 54.000 0.060 0.000 0.876 437 D CB -0.085 40.744 40.800 0.049 0.000 0.927 437 D HN 0.319 nan 8.370 nan 0.000 0.519 438 D N -0.708 119.743 120.400 0.085 0.000 2.328 438 D HA 0.001 4.641 4.640 0.000 0.000 0.226 438 D C 1.009 177.357 176.300 0.080 0.000 1.066 438 D CA 0.615 54.672 54.000 0.095 0.000 0.861 438 D CB 0.348 41.245 40.800 0.162 0.000 0.912 438 D HN 0.025 nan 8.370 nan 0.000 0.521 439 T N -2.496 112.107 114.554 0.082 0.000 3.075 439 T HA 0.510 4.860 4.350 0.000 0.000 0.251 439 T C 0.880 175.618 174.700 0.064 0.000 0.979 439 T CA -0.011 62.138 62.100 0.080 0.000 1.033 439 T CB 1.165 70.111 68.868 0.130 0.000 1.104 439 T HN 0.171 nan 8.240 nan 0.000 0.473 440 G N 2.091 110.926 108.800 0.059 0.000 2.402 440 G HA2 0.204 4.164 3.960 0.000 0.000 0.666 440 G HA3 0.204 4.164 3.960 0.000 0.000 0.666 440 G C -2.356 172.564 174.900 0.032 0.000 1.402 440 G CA -0.334 44.790 45.100 0.040 0.000 0.920 440 G HN -0.005 nan 8.290 nan 0.000 0.651 441 P HA -0.022 nan 4.420 nan 0.000 0.218 441 P C 0.755 178.060 177.300 0.008 0.000 1.149 441 P CA 0.821 63.927 63.100 0.010 0.000 0.817 441 P CB 0.268 31.972 31.700 0.008 0.000 0.785 442 R N 0.198 120.707 120.500 0.014 0.000 3.335 442 R HA 0.550 4.890 4.340 0.000 0.000 0.337 442 R C 0.028 176.341 176.300 0.021 0.000 1.283 442 R CA -0.566 55.542 56.100 0.013 0.000 1.246 442 R CB 0.124 30.430 30.300 0.011 0.000 1.464 442 R HN 0.133 nan 8.270 nan 0.000 0.607 443 A N -0.017 122.820 122.820 0.029 0.000 2.306 443 A HA 0.558 4.879 4.320 0.000 0.000 0.330 443 A C 0.223 177.834 177.584 0.046 0.000 1.146 443 A CA -0.315 51.750 52.037 0.047 0.000 0.827 443 A CB 1.207 20.251 19.000 0.074 0.000 1.178 443 A HN 0.173 nan 8.150 nan 0.000 0.490 444 T N 0.130 114.718 114.554 0.056 0.000 2.902 444 T HA 0.325 4.675 4.350 0.000 0.000 0.280 444 T C 1.139 175.894 174.700 0.092 0.000 0.992 444 T CA -0.317 61.815 62.100 0.053 0.000 1.015 444 T CB 0.437 69.331 68.868 0.043 0.000 1.044 444 T HN 0.677 nan 8.240 nan 0.000 0.520 445 L N 2.666 123.931 121.223 0.071 0.000 2.201 445 L HA 0.169 4.509 4.340 0.000 0.000 0.212 445 L C 2.429 179.391 176.870 0.152 0.000 1.105 445 L CA 1.959 56.867 54.840 0.113 0.000 0.775 445 L CB -0.767 41.323 42.059 0.052 0.000 0.913 445 L HN 0.799 nan 8.230 nan 0.000 0.440 446 K N -0.319 120.136 120.400 0.093 0.000 2.002 446 K HA -0.204 4.116 4.320 0.000 0.000 0.209 446 K C 1.931 178.573 176.600 0.069 0.000 1.048 446 K CA 1.950 58.279 56.287 0.070 0.000 0.930 446 K CB -0.135 32.392 32.500 0.045 0.000 0.714 446 K HN 0.463 nan 8.250 nan 0.000 0.438 447 E N -0.253 119.993 120.200 0.076 0.000 2.051 447 E HA -0.196 4.154 4.350 0.000 0.000 0.192 447 E C 1.868 178.500 176.600 0.054 0.000 0.991 447 E CA 1.300 57.735 56.400 0.057 0.000 0.799 447 E CB -0.271 29.466 29.700 0.062 0.000 0.748 447 E HN 0.296 nan 8.360 nan 0.000 0.449 448 F N 2.385 122.328 119.950 -0.012 0.000 2.043 448 F HA -0.284 4.243 4.527 0.000 0.000 0.297 448 F C 1.966 177.750 175.800 -0.026 0.000 1.118 448 F CA 1.817 59.803 58.000 -0.024 0.000 1.202 448 F CB -0.070 38.914 39.000 -0.025 0.000 0.965 448 F HN -0.198 nan 8.300 nan 0.000 0.482 449 K N -0.031 120.364 120.400 -0.008 0.000 2.103 449 K HA -0.221 4.099 4.320 0.000 0.000 0.207 449 K C 1.962 178.483 176.600 -0.131 0.000 1.048 449 K CA 2.060 58.299 56.287 -0.079 0.000 0.930 449 K CB -0.367 32.166 32.500 0.055 0.000 0.716 449 K HN 0.482 nan 8.250 nan 0.000 0.444 450 E N 0.598 120.751 120.200 -0.080 0.000 2.152 450 E HA -0.176 4.174 4.350 0.000 0.000 0.192 450 E C 1.900 178.446 176.600 -0.091 0.000 0.983 450 E CA 0.821 57.184 56.400 -0.062 0.000 0.818 450 E CB 0.086 29.772 29.700 -0.023 0.000 0.758 450 E HN 0.095 nan 8.360 nan 0.000 0.467 451 K N 1.228 121.541 120.400 -0.146 0.000 2.148 451 K HA -0.126 4.194 4.320 0.000 0.000 0.204 451 K C 1.895 178.398 176.600 -0.160 0.000 1.050 451 K CA 0.596 56.802 56.287 -0.135 0.000 0.942 451 K CB -0.132 32.267 32.500 -0.168 0.000 0.724 451 K HN 0.071 nan 8.250 nan 0.000 0.446 452 L N -0.229 120.814 121.223 -0.301 0.000 2.376 452 L HA 0.182 4.522 4.340 0.000 0.000 0.219 452 L C 1.769 178.575 176.870 -0.108 0.000 1.133 452 L CA 1.627 56.314 54.840 -0.255 0.000 0.816 452 L CB -0.330 41.502 42.059 -0.379 0.000 0.933 452 L HN 0.208 nan 8.230 nan 0.000 0.449 453 A N -0.904 121.863 122.820 -0.087 0.000 1.924 453 A HA 0.375 4.695 4.320 0.000 0.000 0.211 453 A C 1.790 179.359 177.584 -0.025 0.000 1.198 453 A CA 0.568 52.578 52.037 -0.045 0.000 0.657 453 A CB -0.645 18.333 19.000 -0.038 0.000 0.852 453 A HN 0.411 nan 8.150 nan 0.000 0.454 454 G N -0.279 108.507 108.800 -0.023 0.000 4.637 454 G HA2 0.436 4.396 3.960 0.000 0.000 0.308 454 G HA3 0.436 4.396 3.960 0.000 0.000 0.308 454 G C -0.935 173.963 174.900 -0.002 0.000 1.377 454 G CA 0.107 45.200 45.100 -0.011 0.000 1.176 454 G HN 0.158 nan 8.290 nan 0.000 0.601 455 D N 0.507 120.912 120.400 0.009 0.000 2.328 455 D HA 0.107 4.747 4.640 0.000 0.000 0.243 455 D C 1.039 177.331 176.300 -0.012 0.000 1.324 455 D CA -0.470 53.537 54.000 0.012 0.000 0.966 455 D CB 1.519 42.373 40.800 0.090 0.000 1.324 455 D HN 0.093 nan 8.370 nan 0.000 0.549 456 E N 2.956 123.138 120.200 -0.030 0.000 2.169 456 E HA -0.255 4.095 4.350 0.000 0.000 0.202 456 E C 1.619 178.180 176.600 -0.065 0.000 1.016 456 E CA 1.549 57.928 56.400 -0.035 0.000 0.817 456 E CB 0.107 29.787 29.700 -0.034 0.000 0.736 456 E HN 0.497 nan 8.360 nan 0.000 0.462 457 K N -0.741 119.581 120.400 -0.130 0.000 2.015 457 K HA -0.257 4.063 4.320 0.000 0.000 0.216 457 K C 2.084 178.543 176.600 -0.234 0.000 1.052 457 K CA 1.979 58.128 56.287 -0.230 0.000 0.937 457 K CB -0.319 31.943 32.500 -0.396 0.000 0.719 457 K HN 0.386 nan 8.250 nan 0.000 0.446 458 H N -0.501 118.551 119.070 -0.030 0.000 2.372 458 H HA -0.065 4.491 4.556 0.000 0.000 0.301 458 H C 2.235 177.545 175.328 -0.031 0.000 1.065 458 H CA 1.309 57.337 56.048 -0.033 0.000 1.364 458 H CB -0.175 29.552 29.762 -0.057 0.000 1.406 458 H HN 0.323 nan 8.280 nan 0.000 0.521 459 Q N 1.577 121.424 119.800 0.079 0.000 2.197 459 Q HA -0.154 4.186 4.340 0.000 0.000 0.207 459 Q C 2.443 178.453 176.000 0.016 0.000 0.984 459 Q CA 1.473 57.296 55.803 0.033 0.000 0.869 459 Q CB -0.086 28.659 28.738 0.012 0.000 0.906 459 Q HN 0.348 nan 8.270 nan 0.000 0.426 460 R N -0.913 119.590 120.500 0.005 0.000 2.066 460 R HA -0.072 4.268 4.340 0.000 0.000 0.232 460 R C 2.032 178.337 176.300 0.009 0.000 1.131 460 R CA 1.247 57.346 56.100 -0.002 0.000 0.955 460 R CB -0.429 29.861 30.300 -0.016 0.000 0.851 460 R HN 0.292 nan 8.270 nan 0.000 0.432 461 A N 0.714 123.547 122.820 0.021 0.000 1.883 461 A HA -0.129 4.192 4.320 0.000 0.000 0.217 461 A C 2.305 179.907 177.584 0.030 0.000 1.186 461 A CA 1.786 53.843 52.037 0.033 0.000 0.624 461 A CB -0.783 18.253 19.000 0.060 0.000 0.822 461 A HN 0.232 nan 8.150 nan 0.000 0.444 462 V N 0.201 120.134 119.914 0.033 0.000 2.252 462 V HA -0.335 3.785 4.120 0.000 0.000 0.249 462 V C 2.681 178.778 176.094 0.006 0.000 1.056 462 V CA 2.552 64.864 62.300 0.020 0.000 1.022 462 V CB -0.863 30.971 31.823 0.017 0.000 0.641 462 V HN 0.714 nan 8.190 nan 0.000 0.445 463 R N 0.119 120.621 120.500 0.004 0.000 2.103 463 R HA -0.222 4.118 4.340 0.000 0.000 0.242 463 R C 2.278 178.575 176.300 -0.005 0.000 1.142 463 R CA 1.898 57.996 56.100 -0.003 0.000 0.960 463 R CB -0.507 29.792 30.300 -0.002 0.000 0.858 463 R HN 0.503 nan 8.270 nan 0.000 0.439 464 A N 0.939 123.760 122.820 0.002 0.000 1.877 464 A HA -0.174 4.146 4.320 0.000 0.000 0.216 464 A C 2.028 179.611 177.584 -0.002 0.000 1.186 464 A CA 1.375 53.416 52.037 0.006 0.000 0.620 464 A CB -0.630 18.380 19.000 0.017 0.000 0.822 464 A HN 0.394 nan 8.150 nan 0.000 0.443 465 L N -0.539 120.682 121.223 -0.004 0.000 2.156 465 L HA 0.002 4.342 4.340 0.000 0.000 0.208 465 L C 2.351 179.164 176.870 -0.096 0.000 1.095 465 L CA 1.715 56.536 54.840 -0.031 0.000 0.770 465 L CB -0.687 41.373 42.059 0.002 0.000 0.914 465 L HN 0.381 nan 8.230 nan 0.000 0.439 466 R N -0.555 119.909 120.500 -0.060 0.000 2.081 466 R HA -0.219 4.121 4.340 0.000 0.000 0.235 466 R C 2.263 178.518 176.300 -0.076 0.000 1.131 466 R CA 1.956 58.016 56.100 -0.066 0.000 0.960 466 R CB -0.283 29.997 30.300 -0.033 0.000 0.856 466 R HN 0.608 nan 8.270 nan 0.000 0.436 467 Q N 0.517 120.286 119.800 -0.052 0.000 2.030 467 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 467 Q C 1.731 177.698 176.000 -0.055 0.000 0.986 467 Q CA 1.945 57.726 55.803 -0.037 0.000 0.843 467 Q CB 0.023 28.752 28.738 -0.016 0.000 0.904 467 Q HN 0.439 nan 8.270 nan 0.000 0.420 468 E N -0.500 119.650 120.200 -0.085 0.000 2.077 468 E HA -0.169 4.181 4.350 0.000 0.000 0.193 468 E C 2.147 178.566 176.600 -0.302 0.000 0.989 468 E CA 1.391 57.722 56.400 -0.115 0.000 0.800 468 E CB 0.013 29.675 29.700 -0.064 0.000 0.746 468 E HN 0.217 nan 8.360 nan 0.000 0.452 469 V N 1.719 121.350 119.914 -0.473 0.000 2.255 469 V HA -0.278 3.842 4.120 0.000 0.000 0.247 469 V C 2.070 178.086 176.094 -0.131 0.000 1.051 469 V CA 2.020 64.024 62.300 -0.493 0.000 1.018 469 V CB -0.459 31.155 31.823 -0.348 0.000 0.641 469 V HN 0.247 nan 8.190 nan 0.000 0.445 470 E N -0.189 119.963 120.200 -0.079 0.000 2.204 470 E HA -0.138 4.212 4.350 0.000 0.000 0.194 470 E C 2.360 178.972 176.600 0.020 0.000 0.989 470 E CA 1.276 57.666 56.400 -0.016 0.000 0.824 470 E CB -0.108 29.579 29.700 -0.022 0.000 0.756 470 E HN 0.561 nan 8.360 nan 0.000 0.477 471 S N 0.711 116.431 115.700 0.034 0.000 2.345 471 S HA -0.131 4.339 4.470 0.000 0.000 0.220 471 S C 1.601 176.281 174.600 0.134 0.000 1.031 471 S CA 0.687 58.927 58.200 0.066 0.000 0.996 471 S CB -0.332 62.912 63.200 0.073 0.000 0.882 471 S HN 0.271 nan 8.310 nan 0.000 0.445 472 F N 2.966 122.940 119.950 0.040 0.000 2.095 472 F HA -0.166 4.361 4.527 0.000 0.000 0.298 472 F C 2.400 178.318 175.800 0.196 0.000 1.104 472 F CA 1.018 59.101 58.000 0.138 0.000 1.232 472 F CB -1.021 38.146 39.000 0.279 0.000 0.987 472 F HN 0.173 nan 8.300 nan 0.000 0.475 473 A N 0.412 123.304 122.820 0.119 0.000 1.940 473 A HA -0.109 4.211 4.320 0.000 0.000 0.219 473 A C 2.421 180.037 177.584 0.054 0.000 1.176 473 A CA 1.965 54.043 52.037 0.069 0.000 0.631 473 A CB -1.637 17.395 19.000 0.053 0.000 0.814 473 A HN 0.543 nan 8.150 nan 0.000 0.446 474 A N -0.399 122.419 122.820 -0.005 0.000 2.076 474 A HA -0.050 4.270 4.320 0.000 0.000 0.220 474 A C 2.037 179.545 177.584 -0.126 0.000 1.160 474 A CA 1.385 53.395 52.037 -0.045 0.000 0.653 474 A CB -0.592 18.387 19.000 -0.035 0.000 0.801 474 A HN 0.512 nan 8.150 nan 0.000 0.455 475 L N -1.738 119.329 121.223 -0.261 0.000 2.265 475 L HA -0.068 4.272 4.340 0.000 0.000 0.215 475 L C 0.147 176.606 176.870 -0.686 0.000 1.117 475 L CA 0.351 54.871 54.840 -0.533 0.000 0.782 475 L CB -0.324 41.231 42.059 -0.840 0.000 0.914 475 L HN 0.360 nan 8.230 nan 0.000 0.441 476 F N -0.471 119.358 119.950 -0.202 0.000 2.470 476 F HA 0.450 4.977 4.527 0.000 0.000 0.329 476 F C -1.722 173.990 175.800 -0.146 0.000 1.072 476 F CA -2.913 54.985 58.000 -0.171 0.000 0.989 476 F CB -0.054 38.825 39.000 -0.202 0.000 1.193 476 F HN -0.257 nan 8.300 nan 0.000 0.481 477 P HA 0.255 nan 4.420 nan 0.000 0.276 477 P C -1.339 175.901 177.300 -0.100 0.000 1.261 477 P CA -0.339 62.743 63.100 -0.030 0.000 0.800 477 P CB 1.722 33.408 31.700 -0.024 0.000 1.066 478 L N 2.294 123.423 121.223 -0.156 0.000 2.401 478 L HA 0.473 4.813 4.340 0.000 0.000 0.263 478 L C -2.494 174.224 176.870 -0.253 0.000 1.004 478 L CA -2.237 52.422 54.840 -0.303 0.000 0.881 478 L CB 0.376 42.270 42.059 -0.275 0.000 1.219 478 L HN 0.183 nan 8.230 nan 0.000 0.441 479 P HA 0.480 nan 4.420 nan 0.000 0.269 479 P C 0.214 177.472 177.300 -0.070 0.000 1.200 479 P CA 0.684 63.715 63.100 -0.115 0.000 0.779 479 P CB 0.422 32.094 31.700 -0.048 0.000 0.841 480 G N -0.807 107.988 108.800 -0.009 0.000 2.306 480 G HA2 -0.030 3.930 3.960 0.000 0.000 0.262 480 G HA3 -0.030 3.930 3.960 0.000 0.000 0.262 480 G C -1.229 173.684 174.900 0.022 0.000 1.263 480 G CA -0.846 44.268 45.100 0.024 0.000 1.088 480 G HN 0.542 nan 8.290 nan 0.000 0.489 481 L N 0.711 121.962 121.223 0.048 0.000 2.454 481 L HA 0.432 4.772 4.340 0.000 0.000 0.256 481 L C -1.675 175.238 176.870 0.073 0.000 1.136 481 L CA -1.704 53.166 54.840 0.051 0.000 0.804 481 L CB 0.827 42.914 42.059 0.047 0.000 1.181 481 L HN 0.276 nan 8.230 nan 0.000 0.469 482 P HA 0.034 nan 4.420 nan 0.000 0.229 482 P C 0.464 177.815 177.300 0.085 0.000 1.597 482 P CA 0.665 63.803 63.100 0.063 0.000 1.030 482 P CB -0.279 31.455 31.700 0.056 0.000 1.897 483 G N -0.905 107.933 108.800 0.064 0.000 2.134 483 G HA2 -0.243 3.717 3.960 0.000 0.000 0.209 483 G HA3 -0.243 3.717 3.960 0.000 0.000 0.209 483 G C -0.224 174.682 174.900 0.009 0.000 0.993 483 G CA -0.708 44.405 45.100 0.023 0.000 0.669 483 G HN 0.389 nan 8.290 nan 0.000 0.519 484 F N 0.000 119.919 119.950 -0.051 0.000 2.286 484 F HA 0.000 4.527 4.527 0.000 0.000 0.279 484 F CA 0.000 57.960 58.000 -0.067 0.000 1.383 484 F CB 0.000 38.981 39.000 -0.031 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574