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 2dgk_1_C DATA FIRST_RESID 30 DATA SEQUENCE KRFPLHEMRD DVAFQIINDE LYLDGNARQN LATFCQTWDD ENVHKLMDLS DATA SEQUENCE INKNWIDKEE YPQSAAIDLR CVNMVADLWH APAPKNGQAV GTNTIGSSEA DATA SEQUENCE CMLGGMAMKW RWRKRMEAAG KPTDKPNLVC GPVQICWHKF ARYWDVELRE DATA SEQUENCE IPMRPGQLFM DPKRMIEACD ENTIGVVPTF GVTYTGNYEF PQPLHDALDK DATA SEQUENCE FQADTGIDID MHIDAASGGF LAPFVAPDIV WDFRLPRVKS ISASGHKFGL DATA SEQUENCE APLGCGWVIW RDEEALPQEL VFNVDYLGGQ IGTFAINFSR PAGQVIAQYY DATA SEQUENCE EFLRLGREGY TKVQNASYQV AAYLADEIAK LGPYEFICTG RPDEGIPAVC DATA SEQUENCE FKLKDGEDPG YTLYDLSERL RLRGWQVPAF TLGGEATDIV VMRIMCRRGF DATA SEQUENCE EMDFAELLLE DYKASLKYLS DHPKLQGIAQ QNSFKHT 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 30 K HA 0.000 nan 4.320 nan 0.000 0.191 30 K C 0.000 176.600 176.600 -0.001 0.000 0.988 30 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 30 K CB 0.000 32.497 32.500 -0.006 0.000 1.064 31 R N 0.612 121.120 120.500 0.012 0.000 2.649 31 R HA 0.232 4.573 4.340 0.001 0.000 0.270 31 R C -0.198 176.138 176.300 0.061 0.000 1.105 31 R CA -0.527 55.603 56.100 0.049 0.000 1.193 31 R CB 0.288 30.619 30.300 0.051 0.000 1.120 31 R HN -0.136 nan 8.270 nan 0.000 0.561 32 F N 2.153 122.091 119.950 -0.021 0.000 2.538 32 F HA 0.141 4.669 4.527 0.001 0.000 0.371 32 F C -1.543 174.241 175.800 -0.027 0.000 1.087 32 F CA -1.666 56.321 58.000 -0.021 0.000 1.250 32 F CB 0.274 39.261 39.000 -0.023 0.000 1.110 32 F HN 0.292 nan 8.300 nan 0.000 0.570 33 P HA -0.032 nan 4.420 nan 0.000 0.265 33 P C 0.668 178.037 177.300 0.116 0.000 1.187 33 P CA 0.131 63.214 63.100 -0.029 0.000 0.766 33 P CB 0.652 32.268 31.700 -0.141 0.000 0.820 34 L N 2.123 123.351 121.223 0.009 0.000 2.130 34 L HA 0.047 4.388 4.340 0.001 0.000 0.200 34 L C 0.792 177.545 176.870 -0.195 0.000 1.075 34 L CA 0.744 55.511 54.840 -0.121 0.000 0.768 34 L CB -0.001 41.885 42.059 -0.288 0.000 0.933 34 L HN 0.421 nan 8.230 nan 0.000 0.451 35 H N 0.515 119.617 119.070 0.053 0.000 2.508 35 H HA 0.299 4.856 4.556 0.001 0.000 0.344 35 H C -0.500 174.851 175.328 0.037 0.000 1.192 35 H CA -0.613 55.459 56.048 0.040 0.000 1.290 35 H CB 0.964 30.741 29.762 0.025 0.000 1.571 35 H HN 0.224 nan 8.280 nan 0.000 0.555 36 E N 0.570 120.881 120.200 0.184 0.000 2.405 36 E HA 0.281 4.632 4.350 0.001 0.000 0.253 36 E C -0.153 176.497 176.600 0.083 0.000 1.257 36 E CA -0.284 56.179 56.400 0.106 0.000 0.960 36 E CB 1.148 30.899 29.700 0.084 0.000 1.077 36 E HN 0.332 nan 8.360 nan 0.000 0.512 37 M N 0.115 119.747 119.600 0.054 0.000 2.520 37 M HA 0.307 4.788 4.480 0.001 0.000 0.280 37 M C -1.346 174.974 176.300 0.034 0.000 1.232 37 M CA -0.529 54.794 55.300 0.038 0.000 0.892 37 M CB 1.883 34.502 32.600 0.031 0.000 1.728 37 M HN 0.328 nan 8.290 nan 0.000 0.475 38 R N 1.488 122.005 120.500 0.029 0.000 2.623 38 R HA 0.018 4.359 4.340 0.001 0.000 0.271 38 R C 0.448 176.772 176.300 0.040 0.000 1.043 38 R CA 0.375 56.492 56.100 0.029 0.000 1.083 38 R CB 0.184 30.498 30.300 0.025 0.000 0.974 38 R HN 0.651 nan 8.270 nan 0.000 0.436 39 D N 1.470 121.893 120.400 0.038 0.000 2.144 39 D HA -0.239 4.402 4.640 0.001 0.000 0.199 39 D C 1.097 177.447 176.300 0.084 0.000 0.984 39 D CA 1.579 55.610 54.000 0.051 0.000 0.834 39 D CB -0.228 40.589 40.800 0.028 0.000 0.955 39 D HN 0.667 nan 8.370 nan 0.000 0.465 40 D N 1.222 121.663 120.400 0.068 0.000 2.178 40 D HA -0.137 4.504 4.640 0.001 0.000 0.202 40 D C 2.069 178.450 176.300 0.134 0.000 0.974 40 D CA 0.665 54.727 54.000 0.104 0.000 0.841 40 D CB -0.457 40.379 40.800 0.060 0.000 0.953 40 D HN 0.285 nan 8.370 nan 0.000 0.478 41 V N 1.741 121.704 119.914 0.082 0.000 2.307 41 V HA -0.159 3.962 4.120 0.001 0.000 0.245 41 V C 3.016 179.145 176.094 0.057 0.000 1.045 41 V CA 1.772 64.108 62.300 0.060 0.000 1.024 41 V CB -0.945 30.899 31.823 0.034 0.000 0.651 41 V HN 0.362 nan 8.190 nan 0.000 0.449 42 A N -0.223 122.635 122.820 0.064 0.000 1.883 42 A HA -0.278 4.043 4.320 0.001 0.000 0.217 42 A C 2.137 179.755 177.584 0.057 0.000 1.186 42 A CA 2.257 54.322 52.037 0.046 0.000 0.624 42 A CB -0.793 18.237 19.000 0.050 0.000 0.822 42 A HN 0.538 nan 8.150 nan 0.000 0.444 43 F N 0.658 120.601 119.950 -0.011 0.000 2.102 43 F HA -0.213 4.315 4.527 0.002 0.000 0.298 43 F C 2.534 178.331 175.800 -0.004 0.000 1.105 43 F CA 2.306 60.299 58.000 -0.011 0.000 1.239 43 F CB -0.316 38.678 39.000 -0.009 0.000 0.991 43 F HN 0.387 nan 8.300 nan 0.000 0.474 44 Q N 1.130 120.924 119.800 -0.011 0.000 2.061 44 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 44 Q C 2.360 178.273 176.000 -0.144 0.000 0.984 44 Q CA 2.501 58.253 55.803 -0.084 0.000 0.846 44 Q CB -0.629 28.138 28.738 0.048 0.000 0.902 44 Q HN 0.633 nan 8.270 nan 0.000 0.421 45 I N 0.587 121.102 120.570 -0.093 0.000 2.118 45 I HA -0.339 3.832 4.170 0.001 0.000 0.241 45 I C 2.534 178.575 176.117 -0.127 0.000 1.070 45 I CA 1.359 62.609 61.300 -0.083 0.000 1.327 45 I CB -0.363 37.605 38.000 -0.055 0.000 1.034 45 I HN 0.201 nan 8.210 nan 0.000 0.405 46 I N 0.571 121.032 120.570 -0.182 0.000 2.252 46 I HA -0.293 3.878 4.170 0.001 0.000 0.245 46 I C 2.357 178.301 176.117 -0.287 0.000 1.102 46 I CA 1.608 62.784 61.300 -0.205 0.000 1.385 46 I CB -0.589 37.297 38.000 -0.189 0.000 1.064 46 I HN 0.317 nan 8.210 nan 0.000 0.414 47 N N 1.272 119.672 118.700 -0.499 0.000 2.061 47 N HA -0.248 4.493 4.740 0.001 0.000 0.193 47 N C 1.465 176.856 175.510 -0.197 0.000 1.030 47 N CA 1.952 54.692 53.050 -0.517 0.000 0.856 47 N CB -0.094 37.913 38.487 -0.800 0.000 1.023 47 N HN 0.202 nan 8.380 nan 0.000 0.424 48 D N 0.060 120.430 120.400 -0.051 0.000 2.178 48 D HA -0.109 4.532 4.640 0.001 0.000 0.202 48 D C 1.616 178.004 176.300 0.148 0.000 0.974 48 D CA 0.831 54.927 54.000 0.160 0.000 0.841 48 D CB -0.248 40.577 40.800 0.042 0.000 0.953 48 D HN 0.553 nan 8.370 nan 0.000 0.478 49 E N 0.318 120.516 120.200 -0.003 0.000 2.106 49 E HA -0.061 4.290 4.350 0.001 0.000 0.192 49 E C 2.244 178.825 176.600 -0.032 0.000 0.984 49 E CA 0.288 56.678 56.400 -0.017 0.000 0.806 49 E CB -0.080 29.585 29.700 -0.059 0.000 0.750 49 E HN 0.284 nan 8.360 nan 0.000 0.458 50 L N 0.307 121.457 121.223 -0.122 0.000 2.349 50 L HA -0.188 4.153 4.340 0.001 0.000 0.220 50 L C 1.794 178.547 176.870 -0.195 0.000 1.130 50 L CA 0.873 55.598 54.840 -0.192 0.000 0.791 50 L CB -0.488 41.400 42.059 -0.285 0.000 0.918 50 L HN 0.197 nan 8.230 nan 0.000 0.444 51 Y N -0.931 119.324 120.300 -0.075 0.000 2.574 51 Y HA -0.154 4.397 4.550 0.001 0.000 0.294 51 Y C 2.030 177.896 175.900 -0.058 0.000 1.142 51 Y CA 0.362 58.425 58.100 -0.062 0.000 1.314 51 Y CB -0.140 38.284 38.460 -0.059 0.000 0.991 51 Y HN 0.090 nan 8.280 nan 0.000 0.555 52 L N -0.417 120.845 121.223 0.064 0.000 2.465 52 L HA -0.065 4.276 4.340 0.001 0.000 0.224 52 L C 0.371 177.232 176.870 -0.014 0.000 1.145 52 L CA 0.910 55.761 54.840 0.018 0.000 0.834 52 L CB -0.545 41.513 42.059 -0.002 0.000 0.944 52 L HN 0.015 nan 8.230 nan 0.000 0.451 53 D N -0.664 119.714 120.400 -0.036 0.000 2.313 53 D HA 0.359 4.999 4.640 0.001 0.000 0.247 53 D C 0.508 176.783 176.300 -0.041 0.000 1.094 53 D CA 0.145 54.112 54.000 -0.055 0.000 0.925 53 D CB 1.270 42.021 40.800 -0.082 0.000 1.188 53 D HN 0.095 nan 8.370 nan 0.000 0.430 54 G N 0.046 108.820 108.800 -0.044 0.000 2.562 54 G HA2 0.180 4.141 3.960 0.001 0.000 0.275 54 G HA3 0.180 4.141 3.960 0.001 0.000 0.275 54 G C 0.752 175.628 174.900 -0.040 0.000 1.196 54 G CA -0.538 44.541 45.100 -0.036 0.000 0.908 54 G HN 0.523 nan 8.290 nan 0.000 0.524 55 N N -1.117 117.563 118.700 -0.033 0.000 2.280 55 N HA 0.271 5.012 4.740 0.001 0.000 0.192 55 N C 1.362 176.855 175.510 -0.028 0.000 1.109 55 N CA 0.970 54.001 53.050 -0.031 0.000 0.855 55 N CB 0.518 38.993 38.487 -0.020 0.000 0.974 55 N HN 1.125 nan 8.380 nan 0.000 0.482 56 A N -0.311 122.491 122.820 -0.030 0.000 3.420 56 A HA -0.325 3.996 4.320 0.001 0.000 0.269 56 A C 1.653 179.223 177.584 -0.023 0.000 1.122 56 A CA 1.426 53.448 52.037 -0.025 0.000 1.023 56 A CB -1.805 17.181 19.000 -0.024 0.000 1.099 56 A HN 0.331 nan 8.150 nan 0.000 0.860 57 R N -0.410 120.077 120.500 -0.021 0.000 2.120 57 R HA -0.088 4.253 4.340 0.001 0.000 0.234 57 R C 1.650 177.947 176.300 -0.004 0.000 1.123 57 R CA 1.729 57.824 56.100 -0.008 0.000 0.975 57 R CB -0.382 29.928 30.300 0.018 0.000 0.866 57 R HN 0.883 nan 8.270 nan 0.000 0.446 58 Q N 0.368 120.131 119.800 -0.062 0.000 2.220 58 Q HA 0.087 4.428 4.340 0.001 0.000 0.205 58 Q C -0.113 175.943 176.000 0.094 0.000 0.865 58 Q CA -0.299 55.449 55.803 -0.092 0.000 0.960 58 Q CB 0.362 28.810 28.738 -0.485 0.000 1.097 58 Q HN 0.108 nan 8.270 nan 0.000 0.493 59 N N 1.183 119.900 118.700 0.028 0.000 2.420 59 N HA 0.103 4.844 4.740 0.001 0.000 0.249 59 N C -0.179 175.318 175.510 -0.021 0.000 1.033 59 N CA 0.058 53.130 53.050 0.037 0.000 0.944 59 N CB 0.747 39.246 38.487 0.020 0.000 1.113 59 N HN 0.218 nan 8.380 nan 0.000 0.502 60 L N 2.623 123.837 121.223 -0.016 0.000 2.872 60 L HA 0.305 4.646 4.340 0.001 0.000 0.245 60 L C 1.507 178.321 176.870 -0.093 0.000 1.211 60 L CA -0.148 54.608 54.840 -0.140 0.000 1.013 60 L CB 0.180 42.118 42.059 -0.201 0.000 1.326 60 L HN 0.491 nan 8.230 nan 0.000 0.525 61 A N -0.801 122.010 122.820 -0.014 0.000 2.014 61 A HA 0.074 4.395 4.320 0.001 0.000 0.210 61 A C 1.279 178.873 177.584 0.017 0.000 1.188 61 A CA 0.466 52.520 52.037 0.029 0.000 0.731 61 A CB 0.131 19.211 19.000 0.133 0.000 0.858 61 A HN 0.242 nan 8.150 nan 0.000 0.464 62 T N -1.584 113.000 114.554 0.049 0.000 2.904 62 T HA 0.417 4.768 4.350 0.001 0.000 0.290 62 T C 0.273 174.948 174.700 -0.041 0.000 1.018 62 T CA -0.213 61.952 62.100 0.110 0.000 1.075 62 T CB 0.128 69.072 68.868 0.127 0.000 0.986 62 T HN 0.177 nan 8.240 nan 0.000 0.523 63 F N 1.174 121.000 119.950 -0.206 0.000 2.714 63 F HA 0.293 4.821 4.527 0.001 0.000 0.294 63 F C 1.679 177.299 175.800 -0.301 0.000 1.120 63 F CA -0.562 57.270 58.000 -0.280 0.000 1.398 63 F CB -0.175 38.625 39.000 -0.333 0.000 1.120 63 F HN 0.439 nan 8.300 nan 0.000 0.589 64 C N 1.651 120.942 119.300 -0.014 0.000 2.657 64 C HA 0.204 4.665 4.460 0.001 0.000 0.404 64 C C 0.710 175.658 174.990 -0.071 0.000 1.291 64 C CA -1.189 57.798 59.018 -0.051 0.000 2.218 64 C CB 0.013 27.697 27.740 -0.093 0.000 2.687 64 C HN 0.200 nan 8.230 nan 0.000 0.634 65 Q N 1.548 121.322 119.800 -0.042 0.000 2.286 65 Q HA 0.104 4.445 4.340 0.001 0.000 0.290 65 Q C 1.059 177.065 176.000 0.009 0.000 1.049 65 Q CA 0.805 56.602 55.803 -0.010 0.000 0.923 65 Q CB 0.515 29.275 28.738 0.037 0.000 1.183 65 Q HN 1.002 nan 8.270 nan 0.000 0.383 66 T N -2.112 112.470 114.554 0.045 0.000 3.144 66 T HA 0.140 4.491 4.350 0.001 0.000 0.290 66 T C -0.122 174.650 174.700 0.120 0.000 0.966 66 T CA -0.593 61.535 62.100 0.047 0.000 0.907 66 T CB 0.006 68.882 68.868 0.013 0.000 1.152 66 T HN 0.438 nan 8.240 nan 0.000 0.532 67 W N 2.559 123.835 121.300 -0.039 0.000 2.303 67 W HA 0.583 5.243 4.660 0.001 0.000 0.334 67 W C -1.058 175.471 176.519 0.018 0.000 1.197 67 W CA -0.519 56.814 57.345 -0.021 0.000 1.262 67 W CB 0.825 30.267 29.460 -0.030 0.000 1.153 67 W HN 0.009 nan 8.180 nan 0.000 0.596 68 D N 3.360 123.379 120.400 -0.635 0.000 2.278 68 D HA 0.093 4.734 4.640 0.001 0.000 0.245 68 D C -1.409 174.347 176.300 -0.907 0.000 1.052 68 D CA -0.223 53.489 54.000 -0.479 0.000 0.834 68 D CB 1.792 42.429 40.800 -0.271 0.000 1.194 68 D HN 0.255 nan 8.370 nan 0.000 0.481 69 D N 1.655 121.806 120.400 -0.416 0.000 2.492 69 D HA 0.038 4.679 4.640 0.001 0.000 0.248 69 D C 0.736 176.969 176.300 -0.112 0.000 1.101 69 D CA -0.397 53.395 54.000 -0.346 0.000 0.840 69 D CB 1.854 42.640 40.800 -0.024 0.000 1.209 69 D HN 0.388 nan 8.370 nan 0.000 0.524 70 E N 2.951 123.051 120.200 -0.167 0.000 2.118 70 E HA -0.229 4.122 4.350 0.001 0.000 0.195 70 E C 0.922 177.469 176.600 -0.088 0.000 0.992 70 E CA 1.212 57.533 56.400 -0.131 0.000 0.804 70 E CB 0.283 29.905 29.700 -0.130 0.000 0.741 70 E HN 0.379 nan 8.360 nan 0.000 0.458 71 N N -0.086 118.531 118.700 -0.139 0.000 2.244 71 N HA -0.118 4.622 4.740 0.001 0.000 0.183 71 N C 1.809 177.099 175.510 -0.366 0.000 1.016 71 N CA 0.953 53.830 53.050 -0.289 0.000 0.866 71 N CB -0.139 38.060 38.487 -0.480 0.000 0.980 71 N HN 0.075 nan 8.380 nan 0.000 0.430 72 V N 1.352 121.100 119.914 -0.276 0.000 2.358 72 V HA -0.192 3.929 4.120 0.001 0.000 0.246 72 V C 2.126 178.137 176.094 -0.138 0.000 1.047 72 V CA 1.352 63.531 62.300 -0.202 0.000 1.035 72 V CB -0.592 31.187 31.823 -0.074 0.000 0.658 72 V HN 0.417 nan 8.190 nan 0.000 0.452 73 H N 0.438 119.417 119.070 -0.152 0.000 2.352 73 H HA -0.155 4.402 4.556 0.001 0.000 0.299 73 H C 2.442 177.705 175.328 -0.108 0.000 1.097 73 H CA 1.836 57.813 56.048 -0.119 0.000 1.311 73 H CB 0.100 29.790 29.762 -0.119 0.000 1.377 73 H HN 0.425 nan 8.280 nan 0.000 0.504 74 K N 0.455 120.854 120.400 -0.002 0.000 2.057 74 K HA -0.094 4.227 4.320 0.001 0.000 0.207 74 K C 2.438 179.004 176.600 -0.057 0.000 1.049 74 K CA 0.765 57.029 56.287 -0.037 0.000 0.931 74 K CB -0.040 32.425 32.500 -0.058 0.000 0.714 74 K HN 0.167 nan 8.250 nan 0.000 0.440 75 L N 0.423 121.588 121.223 -0.097 0.000 2.046 75 L HA -0.185 4.156 4.340 0.001 0.000 0.208 75 L C 2.579 179.415 176.870 -0.056 0.000 1.077 75 L CA 0.841 55.636 54.840 -0.075 0.000 0.747 75 L CB -0.340 41.658 42.059 -0.103 0.000 0.896 75 L HN 0.232 nan 8.230 nan 0.000 0.432 76 M N -0.550 119.002 119.600 -0.080 0.000 2.117 76 M HA -0.231 4.250 4.480 0.001 0.000 0.262 76 M C 1.928 178.191 176.300 -0.062 0.000 1.065 76 M CA 1.686 56.937 55.300 -0.082 0.000 1.114 76 M CB -1.144 31.375 32.600 -0.134 0.000 1.361 76 M HN 0.224 nan 8.290 nan 0.000 0.408 77 D N 0.310 120.680 120.400 -0.050 0.000 2.144 77 D HA -0.112 4.529 4.640 0.001 0.000 0.199 77 D C 2.057 178.343 176.300 -0.023 0.000 0.984 77 D CA 0.953 54.935 54.000 -0.031 0.000 0.834 77 D CB 0.037 40.828 40.800 -0.015 0.000 0.955 77 D HN 0.310 nan 8.370 nan 0.000 0.465 78 L N -0.361 120.850 121.223 -0.020 0.000 2.291 78 L HA -0.004 4.337 4.340 0.001 0.000 0.214 78 L C 1.648 178.514 176.870 -0.006 0.000 1.120 78 L CA 0.727 55.563 54.840 -0.006 0.000 0.799 78 L CB 0.023 42.083 42.059 0.001 0.000 0.925 78 L HN -0.013 nan 8.230 nan 0.000 0.446 79 S N -0.720 114.966 115.700 -0.023 0.000 2.557 79 S HA 0.122 4.593 4.470 0.001 0.000 0.223 79 S C 1.672 176.233 174.600 -0.064 0.000 0.969 79 S CA -0.273 57.903 58.200 -0.041 0.000 0.927 79 S CB 0.200 63.379 63.200 -0.036 0.000 0.806 79 S HN 0.306 nan 8.310 nan 0.000 0.489 80 I N 2.189 122.731 120.570 -0.048 0.000 2.248 80 I HA -0.255 3.916 4.170 0.001 0.000 0.248 80 I C 0.747 176.829 176.117 -0.057 0.000 1.107 80 I CA 1.377 62.648 61.300 -0.047 0.000 1.373 80 I CB 0.080 38.062 38.000 -0.030 0.000 1.055 80 I HN 0.211 nan 8.210 nan 0.000 0.418 81 N N 1.014 119.677 118.700 -0.061 0.000 2.203 81 N HA 0.105 4.846 4.740 0.001 0.000 0.207 81 N C -0.378 174.987 175.510 -0.241 0.000 1.130 81 N CA 0.135 53.144 53.050 -0.069 0.000 0.861 81 N CB 0.284 38.781 38.487 0.016 0.000 1.005 81 N HN 0.328 nan 8.380 nan 0.000 0.507 82 K N 1.669 121.850 120.400 -0.365 0.000 2.315 82 K HA 0.108 4.428 4.320 0.001 0.000 0.291 82 K C -0.090 176.102 176.600 -0.679 0.000 1.074 82 K CA -0.327 55.447 56.287 -0.855 0.000 0.936 82 K CB 0.327 32.571 32.500 -0.428 0.000 1.049 82 K HN -0.087 nan 8.250 nan 0.000 0.471 83 N N 2.796 120.956 118.700 -0.901 0.000 2.401 83 N HA -0.045 4.696 4.740 0.001 0.000 0.255 83 N C 0.386 175.843 175.510 -0.090 0.000 1.110 83 N CA -0.318 52.578 53.050 -0.257 0.000 0.949 83 N CB 0.368 38.838 38.487 -0.028 0.000 1.110 83 N HN 0.626 nan 8.380 nan 0.000 0.490 84 W N 4.979 126.176 121.300 -0.173 0.000 2.331 84 W HA -0.153 4.508 4.660 0.001 0.000 0.291 84 W C 1.428 177.887 176.519 -0.100 0.000 1.214 84 W CA 0.772 58.046 57.345 -0.118 0.000 1.228 84 W CB -0.064 29.330 29.460 -0.109 0.000 1.135 84 W HN 0.631 nan 8.180 nan 0.000 0.537 85 I N 0.412 120.891 120.570 -0.153 0.000 3.419 85 I HA -0.017 4.154 4.170 0.001 0.000 0.286 85 I C 0.453 176.451 176.117 -0.199 0.000 1.268 85 I CA 0.882 61.932 61.300 -0.418 0.000 1.414 85 I CB -0.476 37.150 38.000 -0.623 0.000 1.074 85 I HN -0.234 nan 8.210 nan 0.000 0.457 86 D N 0.492 120.874 120.400 -0.031 0.000 2.522 86 D HA 0.062 4.703 4.640 0.001 0.000 0.218 86 D C 1.111 177.441 176.300 0.050 0.000 1.149 86 D CA 0.004 54.094 54.000 0.149 0.000 0.981 86 D CB 0.614 41.579 40.800 0.275 0.000 1.041 86 D HN -0.061 nan 8.370 nan 0.000 0.518 87 K N 1.110 121.362 120.400 -0.248 0.000 2.362 87 K HA -0.080 4.241 4.320 0.001 0.000 0.200 87 K C 1.600 178.045 176.600 -0.260 0.000 1.046 87 K CA 0.526 56.566 56.287 -0.411 0.000 0.952 87 K CB 0.171 32.160 32.500 -0.851 0.000 0.753 87 K HN 0.471 nan 8.250 nan 0.000 0.466 88 E N 0.333 120.462 120.200 -0.118 0.000 2.033 88 E HA -0.178 4.173 4.350 0.001 0.000 0.189 88 E C 1.615 178.158 176.600 -0.095 0.000 0.979 88 E CA 0.916 57.298 56.400 -0.030 0.000 0.802 88 E CB 0.127 29.910 29.700 0.137 0.000 0.763 88 E HN 0.162 nan 8.360 nan 0.000 0.449 89 E N -0.429 119.677 120.200 -0.157 0.000 2.158 89 E HA -0.094 4.257 4.350 0.001 0.000 0.191 89 E C -0.234 175.976 176.600 -0.650 0.000 0.982 89 E CA 0.879 57.016 56.400 -0.437 0.000 0.823 89 E CB 0.080 29.411 29.700 -0.616 0.000 0.766 89 E HN 0.310 nan 8.360 nan 0.000 0.468 90 Y N 0.382 120.660 120.300 -0.037 0.000 2.726 90 Y HA 0.308 4.859 4.550 0.001 0.000 0.367 90 Y C -1.799 174.056 175.900 -0.074 0.000 1.038 90 Y CA -2.177 55.898 58.100 -0.041 0.000 1.174 90 Y CB 1.038 39.481 38.460 -0.028 0.000 1.265 90 Y HN 0.100 nan 8.280 nan 0.000 0.622 91 P HA -0.219 nan 4.420 nan 0.000 0.218 91 P C 1.365 178.650 177.300 -0.025 0.000 1.149 91 P CA 1.317 64.389 63.100 -0.048 0.000 0.817 91 P CB 0.694 32.359 31.700 -0.059 0.000 0.785 92 Q N 0.409 120.216 119.800 0.011 0.000 2.137 92 Q HA -0.020 4.321 4.340 0.001 0.000 0.198 92 Q C 2.394 178.400 176.000 0.010 0.000 0.960 92 Q CA 1.554 57.363 55.803 0.010 0.000 0.847 92 Q CB -1.006 27.750 28.738 0.031 0.000 0.915 92 Q HN 0.069 nan 8.270 nan 0.000 0.448 93 S N 0.021 115.750 115.700 0.049 0.000 2.368 93 S HA -0.141 4.330 4.470 0.001 0.000 0.225 93 S C 1.850 176.457 174.600 0.012 0.000 1.030 93 S CA 1.019 59.248 58.200 0.049 0.000 0.999 93 S CB -0.487 62.758 63.200 0.075 0.000 0.844 93 S HN 0.592 nan 8.310 nan 0.000 0.459 94 A N 1.397 124.195 122.820 -0.036 0.000 1.898 94 A HA 0.145 4.465 4.320 0.001 0.000 0.216 94 A C 2.337 179.880 177.584 -0.068 0.000 1.181 94 A CA 1.637 53.614 52.037 -0.100 0.000 0.620 94 A CB -1.010 17.884 19.000 -0.177 0.000 0.819 94 A HN 0.511 nan 8.150 nan 0.000 0.442 95 A N -0.089 122.693 122.820 -0.064 0.000 1.933 95 A HA -0.061 4.260 4.320 0.001 0.000 0.218 95 A C 2.102 179.624 177.584 -0.104 0.000 1.175 95 A CA 1.476 53.472 52.037 -0.068 0.000 0.628 95 A CB -0.569 18.396 19.000 -0.058 0.000 0.814 95 A HN 0.495 nan 8.150 nan 0.000 0.444 96 I N -0.431 120.054 120.570 -0.141 0.000 2.315 96 I HA -0.211 3.960 4.170 0.001 0.000 0.248 96 I C 2.258 178.289 176.117 -0.143 0.000 1.117 96 I CA 1.627 62.741 61.300 -0.310 0.000 1.404 96 I CB -0.326 37.500 38.000 -0.291 0.000 1.071 96 I HN 0.307 nan 8.210 nan 0.000 0.419 97 D N 1.176 121.598 120.400 0.036 0.000 2.117 97 D HA -0.162 4.479 4.640 0.001 0.000 0.197 97 D C 2.276 178.687 176.300 0.184 0.000 0.987 97 D CA 1.380 55.514 54.000 0.223 0.000 0.829 97 D CB -0.077 40.900 40.800 0.293 0.000 0.961 97 D HN 0.225 nan 8.370 nan 0.000 0.460 98 L N -0.152 121.117 121.223 0.078 0.000 2.083 98 L HA -0.108 4.233 4.340 0.001 0.000 0.209 98 L C 2.742 179.629 176.870 0.028 0.000 1.083 98 L CA 0.959 55.835 54.840 0.061 0.000 0.752 98 L CB -0.275 41.794 42.059 0.016 0.000 0.899 98 L HN 0.024 nan 8.230 nan 0.000 0.433 99 R N -1.016 119.469 120.500 -0.025 0.000 2.081 99 R HA -0.155 4.186 4.340 0.001 0.000 0.235 99 R C 2.422 178.742 176.300 0.033 0.000 1.131 99 R CA 1.657 57.746 56.100 -0.019 0.000 0.960 99 R CB -0.673 29.566 30.300 -0.102 0.000 0.856 99 R HN 0.400 nan 8.270 nan 0.000 0.436 100 C N -0.001 119.329 119.300 0.051 0.000 2.429 100 C HA -0.072 4.389 4.460 0.001 0.000 0.277 100 C C 2.712 177.573 174.990 -0.214 0.000 1.262 100 C CA 0.463 59.504 59.018 0.037 0.000 1.733 100 C CB -0.652 27.093 27.740 0.007 0.000 2.010 100 C HN 0.302 nan 8.230 nan 0.000 0.483 101 V N 1.855 121.712 119.914 -0.095 0.000 2.287 101 V HA -0.238 3.883 4.120 0.001 0.000 0.248 101 V C 2.264 178.300 176.094 -0.097 0.000 1.053 101 V CA 2.170 64.440 62.300 -0.049 0.000 1.027 101 V CB -0.703 31.213 31.823 0.155 0.000 0.646 101 V HN 0.535 nan 8.190 nan 0.000 0.447 102 N N -0.268 118.396 118.700 -0.059 0.000 2.120 102 N HA -0.121 4.620 4.740 0.001 0.000 0.188 102 N C 1.821 177.240 175.510 -0.152 0.000 1.024 102 N CA 1.638 54.642 53.050 -0.075 0.000 0.852 102 N CB -0.331 38.133 38.487 -0.038 0.000 1.003 102 N HN 0.441 nan 8.380 nan 0.000 0.424 103 M N -0.044 119.449 119.600 -0.178 0.000 2.117 103 M HA -0.104 4.377 4.480 0.001 0.000 0.262 103 M C 2.040 178.054 176.300 -0.476 0.000 1.065 103 M CA 1.058 56.181 55.300 -0.295 0.000 1.114 103 M CB -0.165 32.256 32.600 -0.298 0.000 1.361 103 M HN -0.088 nan 8.290 nan 0.000 0.408 104 V N 0.297 119.878 119.914 -0.555 0.000 2.358 104 V HA -0.218 3.903 4.120 0.001 0.000 0.246 104 V C 2.626 178.256 176.094 -0.774 0.000 1.047 104 V CA 1.885 63.685 62.300 -0.832 0.000 1.035 104 V CB -1.216 30.038 31.823 -0.948 0.000 0.658 104 V HN 0.504 nan 8.190 nan 0.000 0.452 105 A N 0.358 122.939 122.820 -0.397 0.000 1.902 105 A HA -0.312 4.009 4.320 0.001 0.000 0.217 105 A C 2.055 179.546 177.584 -0.155 0.000 1.181 105 A CA 2.247 54.194 52.037 -0.149 0.000 0.623 105 A CB -0.722 18.234 19.000 -0.072 0.000 0.818 105 A HN 0.608 nan 8.150 nan 0.000 0.443 106 D N -0.580 119.682 120.400 -0.230 0.000 2.117 106 D HA -0.158 4.482 4.640 0.001 0.000 0.197 106 D C 1.734 177.833 176.300 -0.336 0.000 0.987 106 D CA 1.338 55.200 54.000 -0.230 0.000 0.829 106 D CB -0.261 40.412 40.800 -0.212 0.000 0.961 106 D HN 0.233 nan 8.370 nan 0.000 0.460 107 L N -0.413 120.557 121.223 -0.422 0.000 2.079 107 L HA -0.091 4.250 4.340 0.001 0.000 0.210 107 L C 1.177 177.871 176.870 -0.294 0.000 1.081 107 L CA 1.277 55.844 54.840 -0.456 0.000 0.752 107 L CB -0.420 41.278 42.059 -0.601 0.000 0.896 107 L HN 0.250 nan 8.230 nan 0.000 0.433 108 W N -0.253 120.862 121.300 -0.308 0.000 3.325 108 W HA 0.225 4.886 4.660 0.002 0.000 0.370 108 W C 0.496 176.936 176.519 -0.130 0.000 1.169 108 W CA -0.340 56.817 57.345 -0.313 0.000 1.874 108 W CB -1.152 28.134 29.460 -0.290 0.000 1.076 108 W HN 0.323 nan 8.180 nan 0.000 0.684 109 H N -1.298 117.815 119.070 0.072 0.000 2.839 109 H HA -0.149 4.408 4.556 0.001 0.000 0.298 109 H C 0.875 176.271 175.328 0.113 0.000 1.224 109 H CA 0.908 56.976 56.048 0.033 0.000 1.144 109 H CB -1.658 28.066 29.762 -0.065 0.000 1.372 109 H HN 0.115 nan 8.280 nan 0.000 0.408 110 A N 1.062 123.992 122.820 0.183 0.000 2.445 110 A HA 0.412 4.733 4.320 0.001 0.000 0.242 110 A C -1.562 175.959 177.584 -0.105 0.000 1.075 110 A CA -0.883 51.070 52.037 -0.140 0.000 0.777 110 A CB 0.283 19.095 19.000 -0.313 0.000 1.013 110 A HN 0.051 nan 8.150 nan 0.000 0.493 111 P HA 0.290 nan 4.420 nan 0.000 0.268 111 P C -0.185 177.071 177.300 -0.073 0.000 1.205 111 P CA 0.257 63.310 63.100 -0.079 0.000 0.771 111 P CB 0.598 32.249 31.700 -0.082 0.000 0.858 112 A N 5.272 128.065 122.820 -0.044 0.000 2.548 112 A HA 0.240 4.561 4.320 0.001 0.000 0.247 112 A C -1.608 175.954 177.584 -0.037 0.000 1.067 112 A CA -0.614 51.400 52.037 -0.038 0.000 0.757 112 A CB -1.130 17.855 19.000 -0.026 0.000 0.996 112 A HN 0.433 nan 8.150 nan 0.000 0.504 113 P HA 0.216 nan 4.420 nan 0.000 0.280 113 P C 0.216 177.506 177.300 -0.017 0.000 1.244 113 P CA -0.405 62.680 63.100 -0.025 0.000 0.784 113 P CB 1.221 32.910 31.700 -0.018 0.000 0.913 114 K N 2.141 122.532 120.400 -0.015 0.000 2.063 114 K HA -0.180 4.141 4.320 0.001 0.000 0.208 114 K C 1.363 177.958 176.600 -0.009 0.000 1.048 114 K CA 2.121 58.401 56.287 -0.011 0.000 0.928 114 K CB -0.267 32.226 32.500 -0.010 0.000 0.713 114 K HN 0.582 nan 8.250 nan 0.000 0.442 115 N N -0.672 118.023 118.700 -0.007 0.000 2.398 115 N HA 0.020 4.761 4.740 0.001 0.000 0.188 115 N C 0.851 176.359 175.510 -0.004 0.000 1.122 115 N CA 0.824 53.871 53.050 -0.005 0.000 0.866 115 N CB 0.588 39.073 38.487 -0.003 0.000 0.970 115 N HN 0.239 nan 8.380 nan 0.000 0.462 116 G N -0.985 107.812 108.800 -0.006 0.000 2.159 116 G HA2 -0.303 3.658 3.960 0.001 0.000 0.256 116 G HA3 -0.303 3.658 3.960 0.001 0.000 0.256 116 G C -0.273 174.625 174.900 -0.003 0.000 0.977 116 G CA 0.388 45.484 45.100 -0.006 0.000 0.652 116 G HN 0.687 nan 8.290 nan 0.000 0.531 117 Q N 0.280 120.082 119.800 0.002 0.000 2.292 117 Q HA 0.763 5.104 4.340 0.001 0.000 0.270 117 Q C 0.172 176.186 176.000 0.022 0.000 1.024 117 Q CA 0.354 56.165 55.803 0.013 0.000 0.768 117 Q CB 1.340 30.090 28.738 0.020 0.000 1.250 117 Q HN 1.234 nan 8.270 nan 0.000 0.447 118 A N 2.837 125.671 122.820 0.023 0.000 2.466 118 A HA 0.412 4.732 4.320 0.001 0.000 0.238 118 A C -0.436 177.207 177.584 0.099 0.000 1.074 118 A CA -0.294 51.764 52.037 0.035 0.000 0.774 118 A CB 0.423 19.433 19.000 0.016 0.000 1.015 118 A HN 0.606 nan 8.150 nan 0.000 0.498 119 V N 2.132 122.127 119.914 0.134 0.000 2.389 119 V HA 0.627 4.747 4.120 0.001 0.000 0.264 119 V C 0.851 177.205 176.094 0.433 0.000 1.049 119 V CA 0.920 63.362 62.300 0.238 0.000 0.932 119 V CB -0.091 31.863 31.823 0.218 0.000 1.011 119 V HN 1.466 nan 8.190 nan 0.000 0.475 120 G N 3.052 112.140 108.800 0.480 0.000 2.322 120 G HA2 0.571 4.532 3.960 0.001 0.000 0.295 120 G HA3 0.571 4.532 3.960 0.001 0.000 0.295 120 G C -1.073 174.158 174.900 0.552 0.000 1.369 120 G CA 0.048 45.511 45.100 0.606 0.000 0.821 120 G HN 0.707 nan 8.290 nan 0.000 0.536 121 T N -0.622 114.276 114.554 0.573 0.000 2.885 121 T HA 0.495 4.846 4.350 0.001 0.000 0.322 121 T C -1.012 173.960 174.700 0.453 0.000 1.387 121 T CA -0.652 61.767 62.100 0.532 0.000 1.041 121 T CB 1.667 70.842 68.868 0.511 0.000 1.287 121 T HN 0.801 nan 8.240 nan 0.000 0.491 122 N N 1.398 120.303 118.700 0.341 0.000 2.503 122 N HA 0.479 5.220 4.740 0.001 0.000 0.267 122 N C -0.296 174.989 175.510 -0.375 0.000 1.214 122 N CA 0.128 52.986 53.050 -0.318 0.000 0.959 122 N CB 1.221 39.461 38.487 -0.411 0.000 1.142 122 N HN 0.870 nan 8.380 nan 0.000 0.455 123 T N -0.438 113.779 114.554 -0.562 0.000 2.778 123 T HA 0.365 4.716 4.350 0.001 0.000 0.293 123 T C 1.361 175.776 174.700 -0.475 0.000 1.144 123 T CA -0.800 61.035 62.100 -0.442 0.000 1.010 123 T CB 0.756 69.477 68.868 -0.245 0.000 1.325 123 T HN 0.249 nan 8.240 nan 0.000 0.515 124 I N 0.765 121.136 120.570 -0.331 0.000 2.546 124 I HA 0.263 4.433 4.170 0.001 0.000 0.255 124 I C 1.434 177.487 176.117 -0.107 0.000 1.163 124 I CA 1.483 62.646 61.300 -0.229 0.000 1.457 124 I CB -1.111 36.799 38.000 -0.151 0.000 1.092 124 I HN 1.020 nan 8.210 nan 0.000 0.434 125 G N -1.565 107.169 108.800 -0.111 0.000 2.488 125 G HA2 0.208 4.169 3.960 0.001 0.000 0.301 125 G HA3 0.208 4.169 3.960 0.001 0.000 0.301 125 G C 0.177 175.042 174.900 -0.058 0.000 1.339 125 G CA 0.043 45.121 45.100 -0.036 0.000 0.803 125 G HN -0.161 nan 8.290 nan 0.000 0.482 126 S N -0.376 115.326 115.700 0.003 0.000 2.423 126 S HA -0.062 4.409 4.470 0.001 0.000 0.231 126 S C 2.603 177.169 174.600 -0.057 0.000 1.014 126 S CA 1.801 60.013 58.200 0.020 0.000 0.965 126 S CB -0.210 63.041 63.200 0.086 0.000 0.785 126 S HN 0.529 nan 8.310 nan 0.000 0.495 127 S N 1.231 116.895 115.700 -0.060 0.000 2.353 127 S HA -0.183 4.288 4.470 0.001 0.000 0.222 127 S C 1.933 176.447 174.600 -0.144 0.000 1.035 127 S CA 1.420 59.544 58.200 -0.126 0.000 1.025 127 S CB -0.364 62.801 63.200 -0.057 0.000 0.902 127 S HN 0.686 nan 8.310 nan 0.000 0.440 128 E N 1.237 121.381 120.200 -0.092 0.000 2.051 128 E HA -0.148 4.202 4.350 0.001 0.000 0.192 128 E C 2.149 178.662 176.600 -0.145 0.000 0.991 128 E CA 1.020 57.363 56.400 -0.095 0.000 0.799 128 E CB -0.312 29.331 29.700 -0.095 0.000 0.748 128 E HN 0.443 nan 8.360 nan 0.000 0.449 129 A N 0.624 123.370 122.820 -0.124 0.000 1.908 129 A HA -0.229 4.092 4.320 0.001 0.000 0.218 129 A C 2.508 179.987 177.584 -0.176 0.000 1.181 129 A CA 1.590 53.571 52.037 -0.094 0.000 0.627 129 A CB -1.070 17.932 19.000 0.003 0.000 0.818 129 A HN 0.558 nan 8.150 nan 0.000 0.445 130 C N -0.654 118.483 119.300 -0.271 0.000 2.425 130 C HA -0.113 4.348 4.460 0.001 0.000 0.277 130 C C 2.934 177.458 174.990 -0.776 0.000 1.280 130 C CA 1.346 60.017 59.018 -0.578 0.000 1.744 130 C CB -1.016 26.152 27.740 -0.953 0.000 1.989 130 C HN 0.600 nan 8.230 nan 0.000 0.491 131 M N 0.323 119.593 119.600 -0.549 0.000 2.175 131 M HA -0.058 4.423 4.480 0.001 0.000 0.264 131 M C 2.052 178.107 176.300 -0.410 0.000 1.063 131 M CA 1.601 56.615 55.300 -0.478 0.000 1.119 131 M CB -1.352 31.154 32.600 -0.157 0.000 1.377 131 M HN 0.380 nan 8.290 nan 0.000 0.415 132 L N -0.279 120.785 121.223 -0.265 0.000 2.056 132 L HA -0.092 4.249 4.340 0.001 0.000 0.207 132 L C 2.772 179.771 176.870 0.214 0.000 1.078 132 L CA 1.341 56.113 54.840 -0.114 0.000 0.749 132 L CB -1.395 40.519 42.059 -0.241 0.000 0.901 132 L HN 0.371 nan 8.230 nan 0.000 0.433 133 G N -0.277 108.502 108.800 -0.034 0.000 2.422 133 G HA2 -0.182 3.779 3.960 0.001 0.000 0.218 133 G HA3 -0.182 3.779 3.960 0.001 0.000 0.218 133 G C 1.583 176.413 174.900 -0.117 0.000 1.146 133 G CA 0.747 45.796 45.100 -0.086 0.000 0.769 133 G HN 0.483 nan 8.290 nan 0.000 0.547 134 G N 0.685 109.233 108.800 -0.421 0.000 2.421 134 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 134 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 134 G C 1.889 176.740 174.900 -0.082 0.000 1.171 134 G CA 0.943 45.647 45.100 -0.661 0.000 0.775 134 G HN 0.393 nan 8.290 nan 0.000 0.543 135 M N 0.757 120.355 119.600 -0.004 0.000 2.108 135 M HA -0.052 4.429 4.480 0.001 0.000 0.261 135 M C 3.066 179.587 176.300 0.367 0.000 1.066 135 M CA 1.439 56.865 55.300 0.210 0.000 1.107 135 M CB -0.271 32.362 32.600 0.056 0.000 1.356 135 M HN 0.340 nan 8.290 nan 0.000 0.406 136 A N 0.057 123.077 122.820 0.333 0.000 1.902 136 A HA -0.224 4.097 4.320 0.001 0.000 0.217 136 A C 2.162 179.977 177.584 0.386 0.000 1.181 136 A CA 1.804 54.032 52.037 0.319 0.000 0.623 136 A CB -0.696 18.584 19.000 0.467 0.000 0.818 136 A HN 0.556 nan 8.150 nan 0.000 0.443 137 M N -0.652 119.160 119.600 0.354 0.000 2.086 137 M HA -0.184 4.297 4.480 0.001 0.000 0.261 137 M C 2.221 178.749 176.300 0.380 0.000 1.067 137 M CA 2.361 57.851 55.300 0.317 0.000 1.116 137 M CB -0.201 32.523 32.600 0.207 0.000 1.348 137 M HN 0.431 nan 8.290 nan 0.000 0.407 138 K N -0.373 120.286 120.400 0.432 0.000 2.063 138 K HA -0.228 4.093 4.320 0.001 0.000 0.208 138 K C 2.009 178.927 176.600 0.530 0.000 1.048 138 K CA 1.725 58.294 56.287 0.470 0.000 0.928 138 K CB -0.331 32.465 32.500 0.494 0.000 0.713 138 K HN 0.574 nan 8.250 nan 0.000 0.442 139 W N 1.387 122.849 121.300 0.270 0.000 2.379 139 W HA -0.147 4.514 4.660 0.002 0.000 0.307 139 W C 2.114 178.740 176.519 0.178 0.000 1.200 139 W CA 1.082 58.548 57.345 0.201 0.000 1.297 139 W CB -0.120 29.412 29.460 0.120 0.000 1.140 139 W HN 0.179 nan 8.180 nan 0.000 0.507 140 R N -0.988 119.757 120.500 0.409 0.000 2.091 140 R HA -0.235 4.106 4.340 0.001 0.000 0.238 140 R C 1.975 178.426 176.300 0.253 0.000 1.136 140 R CA 2.072 58.338 56.100 0.277 0.000 0.959 140 R CB -1.222 29.234 30.300 0.260 0.000 0.856 140 R HN 0.246 nan 8.270 nan 0.000 0.437 141 W N 1.925 123.300 121.300 0.126 0.000 2.354 141 W HA -0.176 4.485 4.660 0.001 0.000 0.315 141 W C 2.379 178.921 176.519 0.039 0.000 1.206 141 W CA 1.381 58.777 57.345 0.085 0.000 1.290 141 W CB -0.243 29.276 29.460 0.099 0.000 1.152 141 W HN -0.112 nan 8.180 nan 0.000 0.489 142 R N 0.952 121.457 120.500 0.008 0.000 2.105 142 R HA -0.220 4.121 4.340 0.001 0.000 0.239 142 R C 2.383 178.487 176.300 -0.327 0.000 1.135 142 R CA 2.153 58.032 56.100 -0.368 0.000 0.967 142 R CB -0.525 29.669 30.300 -0.177 0.000 0.861 142 R HN 0.186 nan 8.270 nan 0.000 0.442 143 K N 0.058 120.366 120.400 -0.153 0.000 2.026 143 K HA -0.152 4.169 4.320 0.001 0.000 0.208 143 K C 2.148 178.667 176.600 -0.135 0.000 1.048 143 K CA 1.540 57.766 56.287 -0.103 0.000 0.929 143 K CB 0.022 32.521 32.500 -0.000 0.000 0.713 143 K HN 0.179 nan 8.250 nan 0.000 0.439 144 R N -0.271 120.142 120.500 -0.145 0.000 2.081 144 R HA -0.076 4.265 4.340 0.001 0.000 0.235 144 R C 2.376 178.540 176.300 -0.226 0.000 1.131 144 R CA 1.453 57.468 56.100 -0.142 0.000 0.960 144 R CB -0.226 30.019 30.300 -0.091 0.000 0.856 144 R HN 0.260 nan 8.270 nan 0.000 0.436 145 M N 0.754 120.102 119.600 -0.420 0.000 2.117 145 M HA -0.125 4.356 4.480 0.001 0.000 0.262 145 M C 1.869 178.000 176.300 -0.282 0.000 1.065 145 M CA 1.634 56.673 55.300 -0.434 0.000 1.114 145 M CB -0.759 31.361 32.600 -0.801 0.000 1.361 145 M HN 0.174 nan 8.290 nan 0.000 0.408 146 E N 0.413 120.454 120.200 -0.266 0.000 2.077 146 E HA -0.122 4.228 4.350 0.001 0.000 0.193 146 E C 2.056 178.584 176.600 -0.120 0.000 0.989 146 E CA 1.304 57.600 56.400 -0.173 0.000 0.800 146 E CB -0.176 29.432 29.700 -0.154 0.000 0.746 146 E HN 0.511 nan 8.360 nan 0.000 0.452 147 A N 1.239 123.992 122.820 -0.111 0.000 2.015 147 A HA -0.001 4.319 4.320 0.001 0.000 0.219 147 A C 2.230 179.772 177.584 -0.070 0.000 1.163 147 A CA 1.373 53.364 52.037 -0.076 0.000 0.646 147 A CB -0.267 18.695 19.000 -0.063 0.000 0.806 147 A HN 0.257 nan 8.150 nan 0.000 0.448 148 A N -1.608 121.159 122.820 -0.089 0.000 2.251 148 A HA 0.426 4.747 4.320 0.001 0.000 0.209 148 A C 1.682 179.226 177.584 -0.067 0.000 1.187 148 A CA 1.035 53.029 52.037 -0.072 0.000 0.823 148 A CB -0.931 18.022 19.000 -0.079 0.000 0.846 148 A HN 1.814 nan 8.150 nan 0.000 0.486 149 G N -0.157 108.597 108.800 -0.075 0.000 2.198 149 G HA2 -0.264 3.697 3.960 0.001 0.000 0.260 149 G HA3 -0.264 3.697 3.960 0.001 0.000 0.260 149 G C 0.042 174.904 174.900 -0.063 0.000 1.025 149 G CA 0.732 45.795 45.100 -0.062 0.000 0.769 149 G HN 0.598 nan 8.290 nan 0.000 0.507 150 K N 0.044 120.391 120.400 -0.090 0.000 2.156 150 K HA 0.514 4.834 4.320 0.001 0.000 0.250 150 K C -2.518 174.025 176.600 -0.095 0.000 0.955 150 K CA -2.145 54.095 56.287 -0.078 0.000 0.855 150 K CB 1.642 34.096 32.500 -0.077 0.000 1.101 150 K HN -0.044 nan 8.250 nan 0.000 0.434 151 P HA -0.021 nan 4.420 nan 0.000 0.268 151 P C 0.062 177.343 177.300 -0.031 0.000 1.205 151 P CA 0.048 63.135 63.100 -0.021 0.000 0.771 151 P CB 0.465 32.181 31.700 0.026 0.000 0.858 152 T N -3.192 111.349 114.554 -0.021 0.000 3.252 152 T HA 0.086 4.437 4.350 0.001 0.000 0.286 152 T C 0.464 175.318 174.700 0.257 0.000 1.013 152 T CA -0.291 61.823 62.100 0.023 0.000 0.914 152 T CB -0.463 68.296 68.868 -0.182 0.000 1.131 152 T HN 0.359 nan 8.240 nan 0.000 0.529 153 D N 1.008 121.519 120.400 0.186 0.000 2.340 153 D HA 0.070 4.711 4.640 0.001 0.000 0.217 153 D C 0.550 176.938 176.300 0.148 0.000 1.081 153 D CA -0.286 53.803 54.000 0.149 0.000 0.842 153 D CB 0.146 40.996 40.800 0.083 0.000 0.934 153 D HN 0.370 nan 8.370 nan 0.000 0.511 154 K N 1.045 121.567 120.400 0.204 0.000 3.271 154 K HA 0.296 4.617 4.320 0.001 0.000 0.192 154 K C -2.745 173.889 176.600 0.057 0.000 1.108 154 K CA -1.420 54.939 56.287 0.121 0.000 0.902 154 K CB 1.639 34.205 32.500 0.109 0.000 0.889 154 K HN 0.046 nan 8.250 nan 0.000 0.520 155 P HA 0.016 nan 4.420 nan 0.000 0.271 155 P C -0.952 176.186 177.300 -0.270 0.000 1.216 155 P CA -0.231 62.590 63.100 -0.465 0.000 0.776 155 P CB 0.577 31.962 31.700 -0.525 0.000 0.881 156 N N 1.558 120.069 118.700 -0.315 0.000 2.357 156 N HA 0.650 5.391 4.740 0.001 0.000 0.284 156 N C -1.958 173.457 175.510 -0.158 0.000 1.236 156 N CA -0.950 52.005 53.050 -0.160 0.000 0.774 156 N CB 1.040 39.469 38.487 -0.096 0.000 1.534 156 N HN 0.197 nan 8.380 nan 0.000 0.478 157 L N 0.883 122.060 121.223 -0.076 0.000 2.381 157 L HA 0.669 5.010 4.340 0.001 0.000 0.274 157 L C -1.587 175.229 176.870 -0.092 0.000 0.988 157 L CA -0.830 53.971 54.840 -0.066 0.000 0.824 157 L CB 1.955 44.037 42.059 0.038 0.000 1.263 157 L HN 0.540 nan 8.230 nan 0.000 0.410 158 V N 4.672 124.513 119.914 -0.121 0.000 2.407 158 V HA 0.685 4.806 4.120 0.001 0.000 0.278 158 V C 0.151 176.149 176.094 -0.160 0.000 1.037 158 V CA -0.135 62.090 62.300 -0.125 0.000 0.900 158 V CB 0.911 32.659 31.823 -0.125 0.000 0.983 158 V HN 1.078 nan 8.190 nan 0.000 0.459 159 C N 2.533 121.745 119.300 -0.146 0.000 3.314 159 C HA 0.983 5.444 4.460 0.001 0.000 0.344 159 C C 0.532 175.464 174.990 -0.096 0.000 1.461 159 C CA -0.056 58.860 59.018 -0.170 0.000 1.249 159 C CB 1.193 28.767 27.740 -0.276 0.000 1.632 159 C HN 0.961 nan 8.230 nan 0.000 0.452 160 G N -0.430 108.330 108.800 -0.068 0.000 2.940 160 G HA2 0.745 4.706 3.960 0.001 0.000 0.164 160 G HA3 0.745 4.706 3.960 0.001 0.000 0.164 160 G C -2.509 172.408 174.900 0.029 0.000 1.326 160 G CA -0.758 44.342 45.100 -0.000 0.000 1.020 160 G HN 0.799 nan 8.290 nan 0.000 0.586 161 P HA 0.148 nan 4.420 nan 0.000 0.235 161 P C 0.542 178.006 177.300 0.274 0.000 1.765 161 P CA -0.135 63.051 63.100 0.143 0.000 1.034 161 P CB -0.323 31.432 31.700 0.091 0.000 1.984 162 V N -0.546 119.488 119.914 0.200 0.000 3.096 162 V HA 0.143 4.263 4.120 0.001 0.000 0.306 162 V C 0.763 177.058 176.094 0.335 0.000 1.088 162 V CA -0.563 61.872 62.300 0.224 0.000 1.129 162 V CB 0.239 32.133 31.823 0.119 0.000 1.014 162 V HN 0.268 nan 8.190 nan 0.000 0.486 163 Q N 1.070 121.042 119.800 0.286 0.000 2.443 163 Q HA 0.220 4.561 4.340 0.001 0.000 0.232 163 Q C 1.020 177.149 176.000 0.215 0.000 1.026 163 Q CA -0.044 55.826 55.803 0.112 0.000 0.924 163 Q CB 1.144 29.862 28.738 -0.032 0.000 1.256 163 Q HN 0.930 nan 8.270 nan 0.000 0.519 164 I N 1.857 122.480 120.570 0.089 0.000 2.399 164 I HA -0.345 3.826 4.170 0.001 0.000 0.254 164 I C 2.252 178.434 176.117 0.108 0.000 1.146 164 I CA 1.387 62.779 61.300 0.155 0.000 1.412 164 I CB -0.033 37.957 38.000 -0.018 0.000 1.076 164 I HN 0.858 nan 8.210 nan 0.000 0.432 165 C N -1.008 118.271 119.300 -0.034 0.000 2.410 165 C HA -0.166 4.295 4.460 0.001 0.000 0.281 165 C C 2.252 177.120 174.990 -0.203 0.000 1.318 165 C CA -0.033 58.890 59.018 -0.158 0.000 1.776 165 C CB -2.089 25.466 27.740 -0.310 0.000 1.942 165 C HN 0.691 nan 8.230 nan 0.000 0.508 166 W N -0.188 121.147 121.300 0.058 0.000 2.518 166 W HA 0.100 4.761 4.660 0.001 0.000 0.273 166 W C 2.911 179.439 176.519 0.015 0.000 1.247 166 W CA 0.818 58.187 57.345 0.041 0.000 1.288 166 W CB -0.502 28.924 29.460 -0.058 0.000 1.107 166 W HN 0.449 nan 8.180 nan 0.000 0.586 167 H N 0.340 119.535 119.070 0.209 0.000 2.395 167 H HA -0.032 4.524 4.556 0.001 0.000 0.299 167 H C 1.823 177.128 175.328 -0.039 0.000 1.070 167 H CA 1.262 57.367 56.048 0.094 0.000 1.356 167 H CB 0.001 29.790 29.762 0.045 0.000 1.401 167 H HN 0.227 nan 8.280 nan 0.000 0.524 168 K N 0.248 120.645 120.400 -0.005 0.000 2.026 168 K HA -0.135 4.186 4.320 0.001 0.000 0.208 168 K C 2.089 178.513 176.600 -0.294 0.000 1.048 168 K CA 1.137 57.187 56.287 -0.396 0.000 0.929 168 K CB -0.265 32.083 32.500 -0.253 0.000 0.713 168 K HN 0.071 nan 8.250 nan 0.000 0.439 169 F N 1.957 121.907 119.950 -0.001 0.000 2.069 169 F HA -0.262 4.266 4.527 0.001 0.000 0.298 169 F C 2.192 178.192 175.800 0.334 0.000 1.113 169 F CA 1.582 59.767 58.000 0.308 0.000 1.214 169 F CB -0.574 38.507 39.000 0.136 0.000 0.978 169 F HN -0.004 nan 8.300 nan 0.000 0.474 170 A N 0.352 123.233 122.820 0.103 0.000 1.883 170 A HA -0.251 4.070 4.320 0.001 0.000 0.217 170 A C 2.246 179.788 177.584 -0.071 0.000 1.186 170 A CA 2.115 54.137 52.037 -0.024 0.000 0.624 170 A CB -0.873 18.174 19.000 0.077 0.000 0.822 170 A HN 0.464 nan 8.150 nan 0.000 0.444 171 R N -1.342 119.102 120.500 -0.093 0.000 2.062 171 R HA -0.121 4.219 4.340 0.001 0.000 0.231 171 R C 1.907 178.195 176.300 -0.020 0.000 1.136 171 R CA 1.920 57.965 56.100 -0.092 0.000 0.948 171 R CB -0.827 29.367 30.300 -0.177 0.000 0.845 171 R HN 0.530 nan 8.270 nan 0.000 0.430 172 Y N -1.282 118.958 120.300 -0.100 0.000 2.274 172 Y HA -0.140 4.411 4.550 0.001 0.000 0.290 172 Y C 1.377 176.969 175.900 -0.513 0.000 1.145 172 Y CA 0.271 58.163 58.100 -0.348 0.000 1.203 172 Y CB -0.416 37.719 38.460 -0.541 0.000 0.984 172 Y HN 0.220 nan 8.280 nan 0.000 0.533 173 W N 0.835 122.075 121.300 -0.101 0.000 3.102 173 W HA 0.168 4.829 4.660 0.001 0.000 0.401 173 W C -0.363 176.062 176.519 -0.157 0.000 1.070 173 W CA -0.153 57.092 57.345 -0.167 0.000 1.921 173 W CB -0.070 29.139 29.460 -0.419 0.000 1.118 173 W HN 0.107 nan 8.180 nan 0.000 0.647 174 D N 1.002 121.408 120.400 0.010 0.000 2.735 174 D HA -0.155 4.486 4.640 0.001 0.000 0.235 174 D C -0.355 175.942 176.300 -0.005 0.000 1.175 174 D CA 0.801 54.806 54.000 0.008 0.000 0.683 174 D CB -1.499 39.318 40.800 0.028 0.000 1.008 174 D HN -0.116 nan 8.370 nan 0.000 0.416 175 V N 0.572 120.457 119.914 -0.048 0.000 2.495 175 V HA 0.184 4.305 4.120 0.001 0.000 0.298 175 V C 0.656 176.737 176.094 -0.021 0.000 1.031 175 V CA -0.848 61.423 62.300 -0.049 0.000 0.871 175 V CB 2.282 34.068 31.823 -0.062 0.000 0.988 175 V HN 0.128 nan 8.190 nan 0.000 0.432 176 E N 3.498 123.682 120.200 -0.026 0.000 2.265 176 E HA 0.161 4.512 4.350 0.001 0.000 0.272 176 E C -0.964 175.632 176.600 -0.007 0.000 1.067 176 E CA -0.600 55.792 56.400 -0.012 0.000 0.900 176 E CB 0.951 30.640 29.700 -0.018 0.000 1.017 176 E HN 0.511 nan 8.360 nan 0.000 0.431 177 L N 6.008 127.236 121.223 0.008 0.000 2.278 177 L HA 0.194 4.535 4.340 0.001 0.000 0.287 177 L C -0.175 176.686 176.870 -0.015 0.000 1.072 177 L CA 0.211 55.050 54.840 -0.000 0.000 0.819 177 L CB 0.509 42.565 42.059 -0.007 0.000 1.176 177 L HN 0.469 nan 8.230 nan 0.000 0.435 178 R N 4.605 125.084 120.500 -0.036 0.000 2.471 178 R HA 0.208 4.549 4.340 0.001 0.000 0.292 178 R C -0.571 175.699 176.300 -0.050 0.000 1.192 178 R CA -0.257 55.821 56.100 -0.038 0.000 1.257 178 R CB 0.476 30.748 30.300 -0.047 0.000 1.130 178 R HN 0.590 nan 8.270 nan 0.000 0.558 179 E N 3.248 123.428 120.200 -0.033 0.000 2.105 179 E HA 0.088 4.439 4.350 0.001 0.000 0.285 179 E C -0.432 176.152 176.600 -0.028 0.000 1.055 179 E CA -0.820 55.561 56.400 -0.032 0.000 0.843 179 E CB 0.602 30.304 29.700 0.003 0.000 1.067 179 E HN 0.261 nan 8.360 nan 0.000 0.398 180 I N 8.469 129.014 120.570 -0.041 0.000 2.587 180 I HA 0.028 4.199 4.170 0.001 0.000 0.284 180 I C -1.797 174.293 176.117 -0.045 0.000 1.134 180 I CA -1.769 59.503 61.300 -0.047 0.000 1.410 180 I CB 0.231 38.198 38.000 -0.055 0.000 1.392 180 I HN 0.441 nan 8.210 nan 0.000 0.545 181 P HA 0.137 nan 4.420 nan 0.000 0.274 181 P C -0.535 176.718 177.300 -0.078 0.000 1.231 181 P CA -0.473 62.595 63.100 -0.053 0.000 0.790 181 P CB 0.714 32.388 31.700 -0.043 0.000 0.951 182 M N 2.579 122.129 119.600 -0.083 0.000 2.241 182 M HA 0.279 4.760 4.480 0.001 0.000 0.335 182 M C 0.984 177.233 176.300 -0.085 0.000 1.122 182 M CA 0.479 55.723 55.300 -0.092 0.000 1.164 182 M CB 0.409 32.954 32.600 -0.092 0.000 1.459 182 M HN 0.415 nan 8.290 nan 0.000 0.461 183 R N 1.088 121.532 120.500 -0.092 0.000 2.663 183 R HA 0.583 4.923 4.340 0.001 0.000 0.267 183 R C -3.249 173.014 176.300 -0.062 0.000 1.038 183 R CA -2.004 54.053 56.100 -0.072 0.000 0.886 183 R CB 0.389 30.643 30.300 -0.077 0.000 1.249 183 R HN 0.227 nan 8.270 nan 0.000 0.463 184 P HA -0.030 nan 4.420 nan 0.000 0.257 184 P C 0.623 177.911 177.300 -0.019 0.000 1.162 184 P CA 2.260 65.348 63.100 -0.020 0.000 0.762 184 P CB 0.454 32.146 31.700 -0.014 0.000 0.753 185 G N 2.539 111.343 108.800 0.005 0.000 2.179 185 G HA2 -0.295 3.666 3.960 0.001 0.000 0.260 185 G HA3 -0.295 3.666 3.960 0.001 0.000 0.260 185 G C 0.228 175.126 174.900 -0.003 0.000 0.977 185 G CA 0.227 45.342 45.100 0.024 0.000 0.641 185 G HN 0.629 nan 8.290 nan 0.000 0.533 186 Q N -0.363 119.381 119.800 -0.093 0.000 3.891 186 Q HA 0.450 4.791 4.340 0.001 0.000 0.190 186 Q C 0.284 176.071 176.000 -0.355 0.000 0.886 186 Q CA -0.468 55.117 55.803 -0.364 0.000 0.747 186 Q CB 0.063 28.562 28.738 -0.398 0.000 1.476 186 Q HN 0.328 nan 8.270 nan 0.000 0.452 187 L N 3.786 124.955 121.223 -0.090 0.000 2.968 187 L HA 0.375 4.716 4.340 0.001 0.000 0.235 187 L C -0.544 176.432 176.870 0.178 0.000 1.323 187 L CA -0.017 54.848 54.840 0.041 0.000 1.159 187 L CB -0.881 41.258 42.059 0.132 0.000 1.523 187 L HN 0.355 nan 8.230 nan 0.000 0.468 188 F N -3.115 116.843 119.950 0.013 0.000 2.773 188 F HA 0.421 4.949 4.527 0.002 0.000 0.314 188 F C -0.610 175.196 175.800 0.010 0.000 1.160 188 F CA -1.594 56.416 58.000 0.017 0.000 0.920 188 F CB 1.312 40.331 39.000 0.030 0.000 1.323 188 F HN -0.184 nan 8.300 nan 0.000 0.457 189 M N 3.921 123.650 119.600 0.215 0.000 2.220 189 M HA 0.219 4.700 4.480 0.001 0.000 0.343 189 M C -0.938 175.486 176.300 0.206 0.000 1.470 189 M CA -0.186 55.173 55.300 0.098 0.000 1.161 189 M CB -0.011 32.626 32.600 0.062 0.000 1.737 189 M HN 0.697 nan 8.290 nan 0.000 0.464 190 D N 5.566 125.998 120.400 0.054 0.000 2.253 190 D HA 0.306 4.947 4.640 0.001 0.000 0.249 190 D C -2.492 173.848 176.300 0.066 0.000 1.049 190 D CA -1.706 52.367 54.000 0.120 0.000 0.929 190 D CB 0.715 41.510 40.800 -0.009 0.000 1.176 190 D HN 0.292 nan 8.370 nan 0.000 0.437 191 P HA -0.214 nan 4.420 nan 0.000 0.216 191 P C 1.495 178.795 177.300 -0.000 0.000 1.157 191 P CA 1.815 64.939 63.100 0.039 0.000 0.880 191 P CB 0.172 31.908 31.700 0.060 0.000 0.791 192 K N -0.139 120.265 120.400 0.006 0.000 2.009 192 K HA -0.155 4.165 4.320 0.001 0.000 0.210 192 K C 2.176 178.757 176.600 -0.032 0.000 1.049 192 K CA 1.513 57.795 56.287 -0.009 0.000 0.929 192 K CB -0.193 32.306 32.500 -0.002 0.000 0.714 192 K HN -0.069 nan 8.250 nan 0.000 0.440 193 R N 0.153 120.628 120.500 -0.040 0.000 2.148 193 R HA -0.060 4.281 4.340 0.001 0.000 0.223 193 R C 2.384 178.643 176.300 -0.069 0.000 1.088 193 R CA 1.250 57.318 56.100 -0.053 0.000 0.985 193 R CB -0.207 30.055 30.300 -0.062 0.000 0.880 193 R HN 0.414 nan 8.270 nan 0.000 0.451 194 M N 0.744 120.301 119.600 -0.071 0.000 2.059 194 M HA -0.182 4.299 4.480 0.001 0.000 0.259 194 M C 1.766 177.964 176.300 -0.170 0.000 1.072 194 M CA 1.754 56.992 55.300 -0.103 0.000 1.117 194 M CB 0.019 32.567 32.600 -0.086 0.000 1.320 194 M HN 0.013 nan 8.290 nan 0.000 0.408 195 I N 1.159 121.616 120.570 -0.189 0.000 2.208 195 I HA -0.284 3.886 4.170 0.001 0.000 0.245 195 I C 2.091 178.076 176.117 -0.221 0.000 1.097 195 I CA 1.758 62.872 61.300 -0.309 0.000 1.363 195 I CB -1.625 36.261 38.000 -0.189 0.000 1.051 195 I HN 0.471 nan 8.210 nan 0.000 0.413 196 E N 0.531 120.669 120.200 -0.103 0.000 2.333 196 E HA -0.125 4.226 4.350 0.001 0.000 0.198 196 E C 1.965 178.533 176.600 -0.053 0.000 1.007 196 E CA 1.038 57.409 56.400 -0.048 0.000 0.845 196 E CB -0.032 29.651 29.700 -0.028 0.000 0.766 196 E HN 0.506 nan 8.360 nan 0.000 0.507 197 A N 0.177 122.941 122.820 -0.094 0.000 2.252 197 A HA 0.082 4.403 4.320 0.001 0.000 0.213 197 A C 0.925 178.454 177.584 -0.092 0.000 1.188 197 A CA -0.233 51.758 52.037 -0.077 0.000 0.863 197 A CB 0.287 19.240 19.000 -0.079 0.000 0.893 197 A HN 0.179 nan 8.150 nan 0.000 0.495 198 C N 1.837 121.030 119.300 -0.179 0.000 2.536 198 C HA 0.593 5.054 4.460 0.001 0.000 0.396 198 C C 0.013 175.026 174.990 0.038 0.000 1.279 198 C CA -0.242 58.658 59.018 -0.196 0.000 2.148 198 C CB 0.060 27.440 27.740 -0.599 0.000 2.584 198 C HN 0.762 nan 8.230 nan 0.000 0.579 199 D N -0.369 120.123 120.400 0.153 0.000 2.768 199 D HA 0.170 4.811 4.640 0.001 0.000 0.327 199 D C 0.336 176.791 176.300 0.258 0.000 1.302 199 D CA -0.715 53.439 54.000 0.256 0.000 0.897 199 D CB 0.160 41.056 40.800 0.160 0.000 1.420 199 D HN 0.599 nan 8.370 nan 0.000 0.494 200 E N -0.686 119.654 120.200 0.233 0.000 2.401 200 E HA -0.147 4.204 4.350 0.001 0.000 0.199 200 E C 0.344 177.194 176.600 0.417 0.000 1.023 200 E CA 0.727 57.287 56.400 0.266 0.000 0.859 200 E CB -0.431 29.375 29.700 0.177 0.000 0.780 200 E HN 0.267 nan 8.360 nan 0.000 0.523 201 N N 0.659 119.549 118.700 0.317 0.000 2.280 201 N HA 0.014 4.755 4.740 0.001 0.000 0.192 201 N C -0.407 175.037 175.510 -0.110 0.000 1.109 201 N CA 0.311 53.553 53.050 0.319 0.000 0.855 201 N CB 0.769 39.373 38.487 0.195 0.000 0.974 201 N HN 0.046 nan 8.380 nan 0.000 0.482 202 T N 2.257 116.793 114.554 -0.030 0.000 2.752 202 T HA 0.145 4.496 4.350 0.001 0.000 0.295 202 T C 1.942 176.463 174.700 -0.298 0.000 0.923 202 T CA -0.299 61.702 62.100 -0.164 0.000 1.112 202 T CB 0.541 69.385 68.868 -0.041 0.000 0.884 202 T HN 0.222 nan 8.240 nan 0.000 0.525 203 I N 0.934 121.187 120.570 -0.528 0.000 2.676 203 I HA 0.362 4.533 4.170 0.001 0.000 0.259 203 I C 0.962 177.056 176.117 -0.038 0.000 1.194 203 I CA 0.222 61.278 61.300 -0.406 0.000 1.473 203 I CB -0.100 37.700 38.000 -0.335 0.000 1.096 203 I HN 0.660 nan 8.210 nan 0.000 0.443 204 G N 0.084 108.848 108.800 -0.059 0.000 2.313 204 G HA2 0.433 4.394 3.960 0.001 0.000 0.296 204 G HA3 0.433 4.394 3.960 0.001 0.000 0.296 204 G C -1.776 173.076 174.900 -0.080 0.000 1.356 204 G CA -0.400 44.688 45.100 -0.019 0.000 0.833 204 G HN -0.068 nan 8.290 nan 0.000 0.552 205 V N -0.191 119.670 119.914 -0.087 0.000 2.604 205 V HA 0.641 4.761 4.120 0.001 0.000 0.305 205 V C -0.288 175.702 176.094 -0.174 0.000 1.043 205 V CA -0.689 61.532 62.300 -0.133 0.000 0.888 205 V CB 1.793 33.549 31.823 -0.111 0.000 0.995 205 V HN 0.731 nan 8.190 nan 0.000 0.429 206 V N 7.008 126.759 119.914 -0.272 0.000 2.284 206 V HA 0.361 4.481 4.120 0.001 0.000 0.274 206 V C -2.498 173.430 176.094 -0.277 0.000 1.023 206 V CA -1.686 60.389 62.300 -0.375 0.000 0.808 206 V CB 1.430 32.738 31.823 -0.858 0.000 1.035 206 V HN 0.734 nan 8.190 nan 0.000 0.445 207 P HA 0.343 nan 4.420 nan 0.000 0.284 207 P C -0.278 176.984 177.300 -0.063 0.000 1.253 207 P CA -0.146 62.905 63.100 -0.081 0.000 0.800 207 P CB 0.773 32.448 31.700 -0.042 0.000 0.961 208 T N 3.471 118.018 114.554 -0.011 0.000 2.781 208 T HA 0.255 4.606 4.350 0.001 0.000 0.305 208 T C -0.289 174.455 174.700 0.073 0.000 1.001 208 T CA -0.035 62.087 62.100 0.036 0.000 0.950 208 T CB -0.479 68.423 68.868 0.056 0.000 0.955 208 T HN 0.161 nan 8.240 nan 0.000 0.471 209 F N 3.732 123.597 119.950 -0.141 0.000 2.659 209 F HA 0.492 5.020 4.527 0.001 0.000 0.360 209 F C 1.053 176.853 175.800 0.000 0.000 1.218 209 F CA -0.723 57.139 58.000 -0.229 0.000 1.317 209 F CB -0.584 38.087 39.000 -0.549 0.000 1.697 209 F HN 0.795 nan 8.300 nan 0.000 0.637 210 G N 2.614 111.390 108.800 -0.040 0.000 2.314 210 G HA2 0.005 3.966 3.960 0.001 0.000 0.286 210 G HA3 0.005 3.966 3.960 0.001 0.000 0.286 210 G C -1.116 173.801 174.900 0.029 0.000 1.270 210 G CA -0.824 44.238 45.100 -0.063 0.000 1.277 210 G HN 0.298 nan 8.290 nan 0.000 0.635 211 V N 1.886 121.818 119.914 0.030 0.000 2.599 211 V HA 0.158 4.279 4.120 0.001 0.000 0.300 211 V C 2.094 178.283 176.094 0.157 0.000 1.034 211 V CA 1.184 63.554 62.300 0.116 0.000 1.115 211 V CB 0.926 32.843 31.823 0.156 0.000 0.934 211 V HN 0.759 nan 8.190 nan 0.000 0.485 212 T N 3.816 118.429 114.554 0.098 0.000 2.684 212 T HA -0.201 4.150 4.350 0.001 0.000 0.267 212 T C 1.480 176.238 174.700 0.096 0.000 1.036 212 T CA 2.116 64.232 62.100 0.027 0.000 1.148 212 T CB -0.361 68.329 68.868 -0.297 0.000 0.863 212 T HN 0.703 nan 8.240 nan 0.000 0.436 213 Y N 1.685 122.075 120.300 0.149 0.000 2.224 213 Y HA -0.117 4.434 4.550 0.001 0.000 0.289 213 Y C 2.994 179.067 175.900 0.288 0.000 1.146 213 Y CA 1.339 59.566 58.100 0.213 0.000 1.182 213 Y CB -0.571 38.000 38.460 0.185 0.000 0.983 213 Y HN 0.408 nan 8.280 nan 0.000 0.524 214 T N -6.225 108.528 114.554 0.331 0.000 2.954 214 T HA 0.444 4.795 4.350 0.001 0.000 0.252 214 T C 1.728 176.488 174.700 0.100 0.000 0.983 214 T CA 0.475 62.691 62.100 0.194 0.000 0.941 214 T CB 0.411 69.372 68.868 0.155 0.000 1.141 214 T HN 0.387 nan 8.240 nan 0.000 0.500 215 G N 1.792 110.647 108.800 0.092 0.000 2.176 215 G HA2 -0.220 3.741 3.960 0.001 0.000 0.253 215 G HA3 -0.220 3.741 3.960 0.001 0.000 0.253 215 G C -0.095 174.694 174.900 -0.186 0.000 0.979 215 G CA -0.093 44.998 45.100 -0.015 0.000 0.641 215 G HN 0.625 nan 8.290 nan 0.000 0.530 216 N N 0.067 118.679 118.700 -0.147 0.000 2.524 216 N HA 0.485 5.225 4.740 0.001 0.000 0.283 216 N C -0.332 174.972 175.510 -0.344 0.000 1.142 216 N CA -0.200 52.687 53.050 -0.272 0.000 0.984 216 N CB 0.422 38.816 38.487 -0.155 0.000 1.155 216 N HN 0.098 nan 8.380 nan 0.000 0.467 217 Y N 0.549 120.526 120.300 -0.539 0.000 2.359 217 Y HA 0.103 4.654 4.550 0.001 0.000 0.330 217 Y C 1.012 176.439 175.900 -0.788 0.000 1.143 217 Y CA -0.259 57.358 58.100 -0.805 0.000 1.318 217 Y CB 0.419 38.136 38.460 -1.238 0.000 1.234 217 Y HN 0.371 nan 8.280 nan 0.000 0.522 218 E N 3.250 123.285 120.200 -0.275 0.000 2.046 218 E HA 0.255 4.606 4.350 0.001 0.000 0.279 218 E C -1.328 175.197 176.600 -0.126 0.000 0.989 218 E CA -0.554 55.736 56.400 -0.183 0.000 0.798 218 E CB 0.295 29.993 29.700 -0.003 0.000 1.086 218 E HN 0.348 nan 8.360 nan 0.000 0.399 219 F N 5.628 125.621 119.950 0.071 0.000 2.502 219 F HA 0.150 4.678 4.527 0.001 0.000 0.371 219 F C -1.467 174.369 175.800 0.060 0.000 1.083 219 F CA -1.966 56.091 58.000 0.095 0.000 1.174 219 F CB 0.657 39.689 39.000 0.053 0.000 1.096 219 F HN 0.508 nan 8.300 nan 0.000 0.545 220 P HA -0.183 nan 4.420 nan 0.000 0.219 220 P C 1.616 178.986 177.300 0.118 0.000 1.150 220 P CA 0.791 63.949 63.100 0.095 0.000 0.814 220 P CB 0.211 31.910 31.700 -0.001 0.000 0.787 221 Q N 0.630 120.495 119.800 0.108 0.000 1.998 221 Q HA -0.182 4.159 4.340 0.001 0.000 0.209 221 Q C -0.705 175.349 176.000 0.090 0.000 1.002 221 Q CA 3.044 58.879 55.803 0.054 0.000 0.858 221 Q CB -2.055 26.690 28.738 0.011 0.000 0.932 221 Q HN 0.176 nan 8.270 nan 0.000 0.416 222 P HA -0.130 nan 4.420 nan 0.000 0.216 222 P C 0.983 178.344 177.300 0.102 0.000 1.150 222 P CA 1.285 64.440 63.100 0.091 0.000 0.837 222 P CB -0.110 31.652 31.700 0.103 0.000 0.786 223 L N -1.841 119.449 121.223 0.112 0.000 2.093 223 L HA -0.186 4.155 4.340 0.001 0.000 0.208 223 L C 2.727 179.639 176.870 0.071 0.000 1.085 223 L CA 1.288 56.173 54.840 0.076 0.000 0.755 223 L CB -1.155 40.941 42.059 0.062 0.000 0.904 223 L HN 0.153 nan 8.230 nan 0.000 0.435 224 H N 0.699 119.775 119.070 0.010 0.000 2.389 224 H HA -0.163 4.394 4.556 0.001 0.000 0.299 224 H C 1.609 176.947 175.328 0.018 0.000 1.081 224 H CA 1.694 57.745 56.048 0.005 0.000 1.345 224 H CB 0.169 29.923 29.762 -0.013 0.000 1.393 224 H HN 0.354 nan 8.280 nan 0.000 0.520 225 D N 0.415 120.938 120.400 0.205 0.000 2.144 225 D HA -0.090 4.551 4.640 0.001 0.000 0.200 225 D C 2.185 178.539 176.300 0.091 0.000 0.978 225 D CA 1.096 55.183 54.000 0.144 0.000 0.833 225 D CB -0.279 40.577 40.800 0.094 0.000 0.961 225 D HN 0.439 nan 8.370 nan 0.000 0.470 226 A N 0.877 123.737 122.820 0.068 0.000 1.933 226 A HA -0.097 4.224 4.320 0.001 0.000 0.218 226 A C 2.378 179.997 177.584 0.058 0.000 1.175 226 A CA 0.780 52.848 52.037 0.051 0.000 0.628 226 A CB -0.645 18.367 19.000 0.020 0.000 0.814 226 A HN 0.181 nan 8.150 nan 0.000 0.444 227 L N -0.823 120.407 121.223 0.012 0.000 2.156 227 L HA -0.119 4.222 4.340 0.001 0.000 0.208 227 L C 1.903 178.815 176.870 0.070 0.000 1.095 227 L CA 0.977 55.831 54.840 0.023 0.000 0.770 227 L CB -0.516 41.483 42.059 -0.100 0.000 0.914 227 L HN 0.261 nan 8.230 nan 0.000 0.439 228 D N 0.311 120.729 120.400 0.031 0.000 2.117 228 D HA -0.204 4.437 4.640 0.001 0.000 0.197 228 D C 2.114 178.462 176.300 0.081 0.000 0.987 228 D CA 1.169 55.202 54.000 0.056 0.000 0.829 228 D CB 0.049 40.905 40.800 0.092 0.000 0.961 228 D HN 0.178 nan 8.370 nan 0.000 0.460 229 K N -0.490 119.969 120.400 0.099 0.000 2.097 229 K HA -0.130 4.191 4.320 0.001 0.000 0.205 229 K C 2.067 178.746 176.600 0.131 0.000 1.050 229 K CA 0.511 56.856 56.287 0.097 0.000 0.938 229 K CB -0.240 32.318 32.500 0.096 0.000 0.718 229 K HN 0.000 nan 8.250 nan 0.000 0.442 230 F N 2.258 122.210 119.950 0.002 0.000 2.161 230 F HA -0.186 4.342 4.527 0.001 0.000 0.300 230 F C 2.374 178.178 175.800 0.006 0.000 1.089 230 F CA 1.660 59.662 58.000 0.004 0.000 1.282 230 F CB -0.173 38.826 39.000 -0.001 0.000 1.010 230 F HN 0.162 nan 8.300 nan 0.000 0.485 231 Q N -0.566 119.254 119.800 0.034 0.000 2.245 231 Q HA -0.065 4.276 4.340 0.001 0.000 0.201 231 Q C 2.220 178.175 176.000 -0.074 0.000 0.955 231 Q CA 0.934 56.703 55.803 -0.057 0.000 0.870 231 Q CB -0.134 28.614 28.738 0.018 0.000 0.945 231 Q HN 0.466 nan 8.270 nan 0.000 0.461 232 A N 0.943 123.742 122.820 -0.034 0.000 1.897 232 A HA -0.146 4.175 4.320 0.001 0.000 0.215 232 A C 1.442 178.991 177.584 -0.058 0.000 1.181 232 A CA 1.539 53.558 52.037 -0.030 0.000 0.620 232 A CB -0.171 18.829 19.000 0.000 0.000 0.821 232 A HN 0.367 nan 8.150 nan 0.000 0.443 233 D N -1.059 119.292 120.400 -0.082 0.000 2.323 233 D HA -0.032 4.609 4.640 0.001 0.000 0.209 233 D C 1.681 177.879 176.300 -0.171 0.000 0.973 233 D CA 1.746 55.688 54.000 -0.096 0.000 0.874 233 D CB 0.057 40.822 40.800 -0.058 0.000 0.930 233 D HN 0.641 nan 8.370 nan 0.000 0.521 234 T N -4.803 109.580 114.554 -0.284 0.000 2.993 234 T HA 0.356 4.707 4.350 0.001 0.000 0.260 234 T C 1.666 176.227 174.700 -0.231 0.000 0.939 234 T CA 0.712 62.617 62.100 -0.325 0.000 0.886 234 T CB 0.975 69.458 68.868 -0.643 0.000 1.209 234 T HN 0.115 nan 8.240 nan 0.000 0.518 235 G N 1.925 110.611 108.800 -0.190 0.000 2.179 235 G HA2 -0.207 3.754 3.960 0.001 0.000 0.260 235 G HA3 -0.207 3.754 3.960 0.001 0.000 0.260 235 G C 0.046 174.893 174.900 -0.089 0.000 0.977 235 G CA 0.192 45.228 45.100 -0.106 0.000 0.641 235 G HN 0.694 nan 8.290 nan 0.000 0.533 236 I N 1.595 122.071 120.570 -0.158 0.000 2.379 236 I HA 0.231 4.401 4.170 0.001 0.000 0.290 236 I C -0.245 175.914 176.117 0.070 0.000 1.063 236 I CA -0.359 60.919 61.300 -0.036 0.000 1.351 236 I CB 0.998 38.973 38.000 -0.041 0.000 1.410 236 I HN -0.022 nan 8.210 nan 0.000 0.505 237 D N 8.642 129.102 120.400 0.101 0.000 2.443 237 D HA 0.397 5.038 4.640 0.001 0.000 0.221 237 D C -0.445 175.943 176.300 0.147 0.000 1.097 237 D CA -0.230 53.835 54.000 0.109 0.000 0.865 237 D CB 0.600 41.445 40.800 0.075 0.000 1.034 237 D HN 0.287 nan 8.370 nan 0.000 0.511 238 I N 3.075 123.734 120.570 0.148 0.000 2.377 238 I HA 0.257 4.428 4.170 0.001 0.000 0.293 238 I C 0.431 176.578 176.117 0.051 0.000 0.987 238 I CA -0.815 60.556 61.300 0.118 0.000 1.185 238 I CB 1.580 39.641 38.000 0.101 0.000 1.341 238 I HN 0.153 nan 8.210 nan 0.000 0.455 239 D N 5.959 126.400 120.400 0.068 0.000 2.494 239 D HA 0.638 5.279 4.640 0.001 0.000 0.259 239 D C -0.409 175.908 176.300 0.029 0.000 1.109 239 D CA -0.379 53.651 54.000 0.051 0.000 1.040 239 D CB 1.761 42.626 40.800 0.109 0.000 1.175 239 D HN 0.294 nan 8.370 nan 0.000 0.584 240 M N -0.216 119.402 119.600 0.030 0.000 2.644 240 M HA 0.321 4.802 4.480 0.001 0.000 0.304 240 M C -0.950 175.369 176.300 0.032 0.000 1.215 240 M CA -0.751 54.549 55.300 -0.001 0.000 0.871 240 M CB 2.621 35.196 32.600 -0.041 0.000 1.740 240 M HN 0.316 nan 8.290 nan 0.000 0.464 241 H N 1.630 120.649 119.070 -0.084 0.000 2.744 241 H HA 0.507 5.064 4.556 0.001 0.000 0.339 241 H C -1.665 173.586 175.328 -0.129 0.000 1.004 241 H CA -0.633 55.367 56.048 -0.078 0.000 1.257 241 H CB 1.012 30.753 29.762 -0.035 0.000 1.552 241 H HN 0.499 nan 8.280 nan 0.000 0.522 242 I N 4.198 124.354 120.570 -0.689 0.000 2.325 242 I HA 0.089 4.260 4.170 0.001 0.000 0.291 242 I C 0.292 176.185 176.117 -0.372 0.000 1.019 242 I CA -0.396 60.644 61.300 -0.433 0.000 1.302 242 I CB 0.813 38.589 38.000 -0.374 0.000 1.401 242 I HN 0.733 nan 8.210 nan 0.000 0.485 243 D N 6.614 126.984 120.400 -0.050 0.000 2.422 243 D HA 0.325 4.966 4.640 0.001 0.000 0.227 243 D C 0.365 176.700 176.300 0.058 0.000 1.190 243 D CA -0.203 53.895 54.000 0.163 0.000 0.905 243 D CB 0.892 41.913 40.800 0.369 0.000 1.034 243 D HN 0.612 nan 8.370 nan 0.000 0.507 244 A N 3.438 126.238 122.820 -0.032 0.000 2.708 244 A HA 0.512 4.833 4.320 0.001 0.000 0.293 244 A C 1.822 179.445 177.584 0.065 0.000 1.303 244 A CA 0.327 52.324 52.037 -0.066 0.000 0.949 244 A CB -0.123 18.659 19.000 -0.362 0.000 1.121 244 A HN 0.566 nan 8.150 nan 0.000 0.542 245 A N 0.796 123.699 122.820 0.139 0.000 1.923 245 A HA -0.291 4.030 4.320 0.001 0.000 0.222 245 A C 2.476 180.236 177.584 0.293 0.000 1.258 245 A CA 3.006 55.165 52.037 0.202 0.000 0.670 245 A CB -0.766 18.326 19.000 0.153 0.000 0.834 245 A HN 1.194 nan 8.150 nan 0.000 0.470 246 S N -2.193 113.674 115.700 0.277 0.000 2.510 246 S HA 0.270 4.741 4.470 0.001 0.000 0.230 246 S C 2.115 176.905 174.600 0.318 0.000 1.066 246 S CA 0.939 59.413 58.200 0.456 0.000 0.941 246 S CB -1.064 62.454 63.200 0.531 0.000 0.829 246 S HN 0.830 nan 8.310 nan 0.000 0.530 247 G N 1.618 110.479 108.800 0.101 0.000 2.462 247 G HA2 0.054 4.015 3.960 0.001 0.000 0.220 247 G HA3 0.054 4.015 3.960 0.001 0.000 0.220 247 G C 1.398 176.248 174.900 -0.082 0.000 1.121 247 G CA 0.692 45.756 45.100 -0.059 0.000 0.758 247 G HN 0.670 nan 8.290 nan 0.000 0.559 248 G N -0.016 108.727 108.800 -0.095 0.000 2.479 248 G HA2 -0.110 3.851 3.960 0.001 0.000 0.220 248 G HA3 -0.110 3.851 3.960 0.001 0.000 0.220 248 G C 0.955 175.895 174.900 0.067 0.000 1.115 248 G CA 0.386 45.399 45.100 -0.145 0.000 0.757 248 G HN 0.383 nan 8.290 nan 0.000 0.560 249 F N -0.531 119.704 119.950 0.475 0.000 2.735 249 F HA 0.506 5.034 4.527 0.001 0.000 0.304 249 F C 1.420 177.605 175.800 0.642 0.000 1.119 249 F CA -0.387 57.971 58.000 0.596 0.000 1.280 249 F CB 0.477 39.874 39.000 0.661 0.000 0.994 249 F HN -0.013 nan 8.300 nan 0.000 0.520 250 L N -1.332 120.196 121.223 0.508 0.000 2.777 250 L HA 0.303 4.644 4.340 0.001 0.000 0.172 250 L C 2.469 179.565 176.870 0.377 0.000 1.179 250 L CA 0.792 55.906 54.840 0.455 0.000 0.859 250 L CB -0.933 41.251 42.059 0.209 0.000 1.269 250 L HN -0.023 nan 8.230 nan 0.000 0.511 251 A N 0.970 123.927 122.820 0.227 0.000 1.927 251 A HA -0.156 4.165 4.320 0.001 0.000 0.220 251 A C -0.433 177.261 177.584 0.185 0.000 1.185 251 A CA 2.153 54.305 52.037 0.192 0.000 0.639 251 A CB -1.953 17.096 19.000 0.082 0.000 0.820 251 A HN 0.279 nan 8.150 nan 0.000 0.451 252 P HA -0.112 nan 4.420 nan 0.000 0.221 252 P C 0.665 177.810 177.300 -0.259 0.000 1.145 252 P CA 1.071 64.088 63.100 -0.138 0.000 0.795 252 P CB -0.092 31.359 31.700 -0.415 0.000 0.775 253 F N -1.825 118.252 119.950 0.211 0.000 2.500 253 F HA 0.046 4.574 4.527 0.001 0.000 0.285 253 F C 2.000 177.890 175.800 0.150 0.000 1.088 253 F CA 0.518 58.626 58.000 0.179 0.000 1.432 253 F CB -1.049 38.092 39.000 0.234 0.000 1.131 253 F HN -0.249 nan 8.300 nan 0.000 0.582 254 V N -3.112 116.993 119.914 0.318 0.000 3.643 254 V HA 0.658 4.779 4.120 0.001 0.000 0.280 254 V C 0.655 176.795 176.094 0.076 0.000 1.351 254 V CA 0.523 62.920 62.300 0.162 0.000 1.073 254 V CB -0.064 31.811 31.823 0.087 0.000 0.863 254 V HN 0.118 nan 8.190 nan 0.000 0.436 255 A N 1.143 124.036 122.820 0.121 0.000 3.292 255 A HA 0.586 4.907 4.320 0.001 0.000 0.231 255 A C -1.191 176.481 177.584 0.145 0.000 0.952 255 A CA -0.222 51.882 52.037 0.111 0.000 1.044 255 A CB 0.107 19.186 19.000 0.133 0.000 1.236 255 A HN 0.312 nan 8.150 nan 0.000 0.525 256 P HA -0.178 nan 4.420 nan 0.000 0.220 256 P C 0.199 177.559 177.300 0.100 0.000 1.144 256 P CA 1.247 64.423 63.100 0.126 0.000 0.800 256 P CB 0.253 32.012 31.700 0.099 0.000 0.772 257 D N -0.280 120.164 120.400 0.074 0.000 2.347 257 D HA 0.066 4.707 4.640 0.001 0.000 0.213 257 D C 1.061 177.388 176.300 0.045 0.000 0.985 257 D CA 0.226 54.246 54.000 0.033 0.000 0.879 257 D CB -0.195 40.614 40.800 0.015 0.000 0.919 257 D HN 0.304 nan 8.370 nan 0.000 0.526 258 I N 1.545 122.191 120.570 0.127 0.000 2.517 258 I HA -0.031 4.140 4.170 0.001 0.000 0.285 258 I C 0.081 176.295 176.117 0.161 0.000 1.106 258 I CA -0.197 61.213 61.300 0.183 0.000 1.402 258 I CB 1.201 39.403 38.000 0.336 0.000 1.399 258 I HN -0.344 nan 8.210 nan 0.000 0.535 259 V N 8.060 127.994 119.914 0.033 0.000 2.304 259 V HA 0.106 4.226 4.120 0.001 0.000 0.262 259 V C 0.476 176.483 176.094 -0.145 0.000 1.061 259 V CA -0.159 62.060 62.300 -0.135 0.000 0.872 259 V CB 0.099 31.817 31.823 -0.174 0.000 1.077 259 V HN 0.923 nan 8.190 nan 0.000 0.480 260 W N 3.318 124.375 121.300 -0.405 0.000 2.592 260 W HA 0.255 4.916 4.660 0.001 0.000 0.306 260 W C 0.053 176.184 176.519 -0.647 0.000 0.991 260 W CA 0.168 57.147 57.345 -0.610 0.000 1.430 260 W CB -0.169 28.547 29.460 -1.240 0.000 1.017 260 W HN 0.624 nan 8.180 nan 0.000 0.557 261 D N 0.943 120.380 120.400 -1.605 0.000 2.406 261 D HA 0.134 4.775 4.640 0.001 0.000 0.288 261 D C 0.889 176.691 176.300 -0.830 0.000 1.186 261 D CA -0.336 52.706 54.000 -1.597 0.000 1.098 261 D CB -0.567 39.142 40.800 -1.820 0.000 1.160 261 D HN -0.231 nan 8.370 nan 0.000 0.561 262 F N -0.513 119.167 119.950 -0.450 0.000 2.641 262 F HA 0.138 4.666 4.527 0.001 0.000 0.298 262 F C 2.303 177.980 175.800 -0.206 0.000 1.146 262 F CA 0.354 58.216 58.000 -0.229 0.000 1.464 262 F CB -0.511 38.424 39.000 -0.109 0.000 1.101 262 F HN 0.046 nan 8.300 nan 0.000 0.585 263 R N -0.124 120.278 120.500 -0.162 0.000 2.193 263 R HA -0.022 4.319 4.340 0.001 0.000 0.229 263 R C 0.322 176.502 176.300 -0.200 0.000 1.110 263 R CA 0.503 56.480 56.100 -0.206 0.000 0.988 263 R CB -0.210 29.879 30.300 -0.352 0.000 0.871 263 R HN 0.219 nan 8.270 nan 0.000 0.458 264 L N 1.310 122.398 121.223 -0.225 0.000 2.265 264 L HA 0.197 4.538 4.340 0.001 0.000 0.288 264 L C -1.678 175.183 176.870 -0.016 0.000 1.058 264 L CA -2.055 52.623 54.840 -0.271 0.000 0.809 264 L CB 1.376 43.250 42.059 -0.308 0.000 1.179 264 L HN -0.196 nan 8.230 nan 0.000 0.429 265 P HA -0.171 nan 4.420 nan 0.000 0.216 265 P C 1.179 178.622 177.300 0.238 0.000 1.153 265 P CA 1.505 64.714 63.100 0.182 0.000 0.858 265 P CB 0.149 31.959 31.700 0.182 0.000 0.789 266 R N -1.030 119.695 120.500 0.376 0.000 2.235 266 R HA 0.035 4.376 4.340 0.001 0.000 0.213 266 R C 0.186 176.560 176.300 0.123 0.000 1.059 266 R CA 0.221 56.398 56.100 0.128 0.000 0.997 266 R CB -0.505 29.692 30.300 -0.172 0.000 0.884 266 R HN 0.084 nan 8.270 nan 0.000 0.462 267 V N 2.902 122.901 119.914 0.142 0.000 2.381 267 V HA -0.011 4.110 4.120 0.001 0.000 0.257 267 V C 0.857 177.084 176.094 0.222 0.000 1.057 267 V CA 0.543 62.881 62.300 0.062 0.000 1.013 267 V CB 0.921 32.668 31.823 -0.128 0.000 1.069 267 V HN 0.132 nan 8.190 nan 0.000 0.484 268 K N 2.567 123.103 120.400 0.227 0.000 2.356 268 K HA 0.164 4.485 4.320 0.001 0.000 0.195 268 K C 0.689 177.554 176.600 0.440 0.000 1.037 268 K CA 0.412 56.901 56.287 0.336 0.000 1.014 268 K CB 0.469 33.150 32.500 0.301 0.000 0.815 268 K HN 0.771 nan 8.250 nan 0.000 0.507 269 S N -0.421 115.445 115.700 0.278 0.000 2.565 269 S HA 0.680 5.151 4.470 0.001 0.000 0.269 269 S C -0.682 173.730 174.600 -0.314 0.000 1.153 269 S CA -1.020 57.244 58.200 0.107 0.000 0.835 269 S CB 1.682 64.846 63.200 -0.061 0.000 1.122 269 S HN 0.006 nan 8.310 nan 0.000 0.462 270 I N 1.635 122.006 120.570 -0.331 0.000 2.722 270 I HA 0.636 4.807 4.170 0.001 0.000 0.295 270 I C -0.636 175.362 176.117 -0.197 0.000 1.161 270 I CA -0.618 60.315 61.300 -0.613 0.000 1.032 270 I CB 2.691 40.127 38.000 -0.938 0.000 1.244 270 I HN 0.953 nan 8.210 nan 0.000 0.421 271 S N 3.500 119.097 115.700 -0.171 0.000 2.570 271 S HA 0.995 5.466 4.470 0.001 0.000 0.286 271 S C -0.832 173.876 174.600 0.179 0.000 1.099 271 S CA -0.702 57.608 58.200 0.184 0.000 0.913 271 S CB 2.631 66.004 63.200 0.289 0.000 1.085 271 S HN 0.976 nan 8.310 nan 0.000 0.480 272 A N 0.958 124.020 122.820 0.405 0.000 2.610 272 A HA 0.800 5.121 4.320 0.001 0.000 0.291 272 A C -0.832 177.032 177.584 0.467 0.000 1.086 272 A CA -0.858 51.436 52.037 0.428 0.000 0.677 272 A CB 1.211 20.527 19.000 0.526 0.000 1.278 272 A HN 0.861 nan 8.150 nan 0.000 0.414 273 S N 0.515 116.461 115.700 0.410 0.000 2.410 273 S HA 0.443 4.914 4.470 0.001 0.000 0.304 273 S C 1.358 176.114 174.600 0.260 0.000 1.095 273 S CA 0.089 58.374 58.200 0.142 0.000 1.089 273 S CB 1.250 64.487 63.200 0.062 0.000 0.968 273 S HN 1.281 nan 8.310 nan 0.000 0.480 274 G N 2.076 110.952 108.800 0.126 0.000 2.432 274 G HA2 -0.194 3.767 3.960 0.001 0.000 0.219 274 G HA3 -0.194 3.767 3.960 0.001 0.000 0.219 274 G C 1.034 175.936 174.900 0.002 0.000 1.135 274 G CA 0.400 45.565 45.100 0.109 0.000 0.767 274 G HN 0.932 nan 8.290 nan 0.000 0.550 275 H N -0.530 118.583 119.070 0.072 0.000 2.556 275 H HA 0.330 4.887 4.556 0.001 0.000 0.268 275 H C 1.375 176.703 175.328 -0.000 0.000 0.996 275 H CA 0.285 56.343 56.048 0.016 0.000 1.157 275 H CB 0.254 30.008 29.762 -0.013 0.000 1.355 275 H HN 0.270 nan 8.280 nan 0.000 0.597 276 K N 0.476 121.001 120.400 0.209 0.000 4.183 276 K HA 0.169 4.490 4.320 0.001 0.000 0.171 276 K C 0.687 177.251 176.600 -0.061 0.000 1.146 276 K CA -0.437 55.889 56.287 0.064 0.000 1.795 276 K CB 0.066 32.686 32.500 0.200 0.000 2.483 276 K HN 0.005 nan 8.250 nan 0.000 0.523 277 F N 1.374 121.501 119.950 0.295 0.000 2.802 277 F HA 0.067 4.594 4.527 0.001 0.000 0.300 277 F C 1.797 177.788 175.800 0.320 0.000 1.168 277 F CA 0.386 58.562 58.000 0.294 0.000 1.433 277 F CB -0.231 38.973 39.000 0.340 0.000 1.115 277 F HN 0.450 nan 8.300 nan 0.000 0.582 278 G N -0.585 108.350 108.800 0.225 0.000 2.744 278 G HA2 0.017 3.978 3.960 0.001 0.000 0.211 278 G HA3 0.017 3.978 3.960 0.001 0.000 0.211 278 G C 1.186 176.095 174.900 0.014 0.000 1.143 278 G CA 0.239 45.139 45.100 -0.333 0.000 0.788 278 G HN 0.454 nan 8.290 nan 0.000 0.534 279 L N -2.187 119.067 121.223 0.052 0.000 4.884 279 L HA -0.207 4.134 4.340 0.001 0.000 0.430 279 L C 1.286 178.180 176.870 0.041 0.000 1.087 279 L CA 0.009 54.860 54.840 0.017 0.000 1.033 279 L CB -2.215 39.797 42.059 -0.079 0.000 2.030 279 L HN 0.395 nan 8.230 nan 0.000 0.762 280 A N 0.444 123.285 122.820 0.035 0.000 2.271 280 A HA 0.742 5.063 4.320 0.001 0.000 0.288 280 A C -1.875 175.751 177.584 0.070 0.000 1.094 280 A CA -0.952 51.112 52.037 0.046 0.000 0.828 280 A CB 0.255 19.271 19.000 0.027 0.000 1.091 280 A HN 0.078 nan 8.150 nan 0.000 0.493 281 P HA 0.200 nan 4.420 nan 0.000 0.274 281 P C -0.378 176.947 177.300 0.042 0.000 1.237 281 P CA -0.237 62.871 63.100 0.013 0.000 0.793 281 P CB 0.428 32.100 31.700 -0.047 0.000 0.977 282 L N 1.132 122.347 121.223 -0.013 0.000 2.653 282 L HA 0.041 4.381 4.340 0.001 0.000 0.288 282 L C 1.623 178.497 176.870 0.007 0.000 1.243 282 L CA 1.606 56.398 54.840 -0.079 0.000 0.906 282 L CB -1.065 40.892 42.059 -0.170 0.000 1.154 282 L HN 0.918 nan 8.230 nan 0.000 0.498 283 G N 2.047 110.948 108.800 0.169 0.000 2.151 283 G HA2 -0.186 3.775 3.960 0.001 0.000 0.156 283 G HA3 -0.186 3.775 3.960 0.001 0.000 0.156 283 G C -0.437 174.449 174.900 -0.022 0.000 1.017 283 G CA -0.308 44.827 45.100 0.058 0.000 0.686 283 G HN 0.760 nan 8.290 nan 0.000 0.503 284 C N 0.720 120.035 119.300 0.026 0.000 2.516 284 C HA 0.890 5.351 4.460 0.001 0.000 0.338 284 C C 0.628 175.294 174.990 -0.541 0.000 1.132 284 C CA 0.639 59.463 59.018 -0.323 0.000 1.310 284 C CB 0.541 28.150 27.740 -0.220 0.000 1.898 284 C HN 1.395 nan 8.230 nan 0.000 0.452 285 G N 3.477 111.895 108.800 -0.637 0.000 2.658 285 G HA2 0.824 4.785 3.960 0.001 0.000 0.292 285 G HA3 0.824 4.785 3.960 0.001 0.000 0.292 285 G C -2.036 172.462 174.900 -0.669 0.000 1.320 285 G CA -0.570 44.250 45.100 -0.466 0.000 0.933 285 G HN 0.741 nan 8.290 nan 0.000 0.476 286 W N -0.870 120.531 121.300 0.168 0.000 3.127 286 W HA 0.615 5.276 4.660 0.001 0.000 0.330 286 W C -0.917 175.738 176.519 0.226 0.000 1.187 286 W CA -0.911 56.559 57.345 0.208 0.000 1.198 286 W CB 2.606 32.227 29.460 0.267 0.000 1.408 286 W HN 0.428 nan 8.180 nan 0.000 0.529 287 V N 5.191 125.367 119.914 0.437 0.000 2.711 287 V HA 0.621 4.742 4.120 0.001 0.000 0.304 287 V C -1.511 174.691 176.094 0.180 0.000 1.097 287 V CA -0.764 61.663 62.300 0.212 0.000 0.906 287 V CB 1.215 32.994 31.823 -0.073 0.000 1.015 287 V HN 0.427 nan 8.190 nan 0.000 0.427 288 I N 5.985 126.679 120.570 0.207 0.000 2.569 288 I HA 0.530 4.701 4.170 0.001 0.000 0.296 288 I C -0.513 175.716 176.117 0.188 0.000 1.028 288 I CA -0.599 60.885 61.300 0.308 0.000 1.082 288 I CB 2.070 40.380 38.000 0.516 0.000 1.264 288 I HN 0.605 nan 8.210 nan 0.000 0.429 289 W N 4.326 125.807 121.300 0.302 0.000 2.578 289 W HA 0.398 5.059 4.660 0.001 0.000 0.346 289 W C 1.430 177.873 176.519 -0.127 0.000 1.075 289 W CA -0.586 56.886 57.345 0.211 0.000 1.233 289 W CB 1.868 31.429 29.460 0.169 0.000 1.358 289 W HN 0.654 nan 8.180 nan 0.000 0.574 290 R N 0.490 120.986 120.500 -0.006 0.000 2.096 290 R HA -0.212 4.129 4.340 0.001 0.000 0.240 290 R C -0.146 176.027 176.300 -0.211 0.000 1.139 290 R CA 2.443 58.288 56.100 -0.424 0.000 0.952 290 R CB 0.040 30.302 30.300 -0.063 0.000 0.854 290 R HN 0.644 nan 8.270 nan 0.000 0.436 291 D N -3.712 116.690 120.400 0.003 0.000 2.792 291 D HA 0.033 4.674 4.640 0.001 0.000 0.335 291 D C 0.033 176.357 176.300 0.041 0.000 1.353 291 D CA -0.695 53.308 54.000 0.004 0.000 0.839 291 D CB 0.040 40.830 40.800 -0.017 0.000 1.396 291 D HN -0.255 nan 8.370 nan 0.000 0.479 292 E N 0.149 120.352 120.200 0.005 0.000 2.130 292 E HA -0.235 4.116 4.350 0.001 0.000 0.196 292 E C 1.418 177.995 176.600 -0.038 0.000 0.998 292 E CA 1.438 57.823 56.400 -0.026 0.000 0.806 292 E CB -0.039 29.644 29.700 -0.030 0.000 0.738 292 E HN 0.720 nan 8.360 nan 0.000 0.459 293 E N 0.394 120.591 120.200 -0.006 0.000 2.153 293 E HA -0.137 4.213 4.350 0.001 0.000 0.194 293 E C 1.873 178.489 176.600 0.027 0.000 0.988 293 E CA 0.885 57.288 56.400 0.006 0.000 0.811 293 E CB 0.009 29.724 29.700 0.024 0.000 0.746 293 E HN 0.193 nan 8.360 nan 0.000 0.466 294 A N 0.584 123.447 122.820 0.072 0.000 2.067 294 A HA -0.040 4.281 4.320 0.001 0.000 0.219 294 A C 1.105 178.709 177.584 0.034 0.000 1.158 294 A CA 0.393 52.532 52.037 0.171 0.000 0.661 294 A CB -0.039 19.173 19.000 0.353 0.000 0.801 294 A HN 0.267 nan 8.150 nan 0.000 0.452 295 L N 0.958 122.041 121.223 -0.234 0.000 2.283 295 L HA 0.487 4.828 4.340 0.001 0.000 0.281 295 L C -2.825 173.799 176.870 -0.412 0.000 1.033 295 L CA -2.466 52.006 54.840 -0.612 0.000 0.848 295 L CB 1.133 42.602 42.059 -0.984 0.000 1.226 295 L HN -0.144 nan 8.230 nan 0.000 0.429 296 P HA 0.047 nan 4.420 nan 0.000 0.262 296 P C 0.161 177.238 177.300 -0.371 0.000 1.199 296 P CA -0.007 62.947 63.100 -0.243 0.000 0.763 296 P CB 0.556 32.170 31.700 -0.143 0.000 0.790 297 Q N 2.330 121.977 119.800 -0.255 0.000 2.234 297 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 297 Q C 1.140 176.952 176.000 -0.313 0.000 0.980 297 Q CA 1.682 57.327 55.803 -0.265 0.000 0.869 297 Q CB -0.130 28.507 28.738 -0.167 0.000 0.912 297 Q HN 0.551 nan 8.270 nan 0.000 0.436 298 E N -0.054 119.984 120.200 -0.269 0.000 2.401 298 E HA -0.087 4.264 4.350 0.001 0.000 0.199 298 E C 1.475 177.808 176.600 -0.446 0.000 1.023 298 E CA 0.466 56.705 56.400 -0.269 0.000 0.859 298 E CB -0.030 29.646 29.700 -0.040 0.000 0.780 298 E HN 0.300 nan 8.360 nan 0.000 0.523 299 L N -0.243 120.619 121.223 -0.602 0.000 2.585 299 L HA 0.143 4.484 4.340 0.001 0.000 0.226 299 L C 0.045 176.627 176.870 -0.479 0.000 1.113 299 L CA -0.199 54.234 54.840 -0.679 0.000 0.876 299 L CB 0.520 41.856 42.059 -1.205 0.000 1.072 299 L HN -0.081 nan 8.230 nan 0.000 0.468 300 V N 0.206 119.850 119.914 -0.450 0.000 2.439 300 V HA 0.275 4.396 4.120 0.001 0.000 0.282 300 V C -0.491 175.494 176.094 -0.181 0.000 1.039 300 V CA -0.313 61.886 62.300 -0.169 0.000 0.913 300 V CB 1.371 33.081 31.823 -0.189 0.000 0.983 300 V HN -0.080 nan 8.190 nan 0.000 0.460 301 F N 2.993 122.977 119.950 0.056 0.000 2.444 301 F HA 0.485 5.013 4.527 0.001 0.000 0.342 301 F C 0.607 176.458 175.800 0.084 0.000 1.121 301 F CA -0.793 57.248 58.000 0.068 0.000 0.997 301 F CB 1.369 40.430 39.000 0.103 0.000 1.130 301 F HN 0.398 nan 8.300 nan 0.000 0.454 302 N N 2.036 120.839 118.700 0.171 0.000 2.529 302 N HA 0.449 5.189 4.740 0.001 0.000 0.278 302 N C -0.946 174.651 175.510 0.146 0.000 1.146 302 N CA -0.083 53.048 53.050 0.136 0.000 0.980 302 N CB 1.894 40.420 38.487 0.065 0.000 1.124 302 N HN 0.235 nan 8.380 nan 0.000 0.458 303 V N 1.568 121.550 119.914 0.114 0.000 2.638 303 V HA 0.181 4.302 4.120 0.001 0.000 0.306 303 V C -0.290 175.661 176.094 -0.238 0.000 1.052 303 V CA -1.028 61.254 62.300 -0.031 0.000 0.885 303 V CB 2.243 34.053 31.823 -0.021 0.000 0.999 303 V HN 0.501 nan 8.190 nan 0.000 0.424 304 D N 2.873 123.106 120.400 -0.279 0.000 2.389 304 D HA 0.406 5.047 4.640 0.001 0.000 0.247 304 D C -1.042 174.943 176.300 -0.525 0.000 1.128 304 D CA 0.763 54.611 54.000 -0.252 0.000 0.884 304 D CB 0.959 41.682 40.800 -0.129 0.000 1.194 304 D HN 0.437 nan 8.370 nan 0.000 0.441 305 Y N -0.002 120.308 120.300 0.017 0.000 2.544 305 Y HA 0.144 4.695 4.550 0.002 0.000 0.342 305 Y C 1.118 177.017 175.900 -0.002 0.000 1.062 305 Y CA -0.789 57.313 58.100 0.002 0.000 1.023 305 Y CB 1.154 39.607 38.460 -0.013 0.000 1.308 305 Y HN 0.133 nan 8.280 nan 0.000 0.457 306 L N 1.150 122.464 121.223 0.153 0.000 2.081 306 L HA -0.188 4.153 4.340 0.001 0.000 0.212 306 L C 1.955 178.866 176.870 0.069 0.000 1.080 306 L CA 2.025 56.912 54.840 0.079 0.000 0.754 306 L CB -0.368 41.722 42.059 0.051 0.000 0.893 306 L HN 1.028 nan 8.230 nan 0.000 0.433 307 G N -0.952 107.894 108.800 0.077 0.000 3.124 307 G HA2 0.367 4.328 3.960 0.001 0.000 0.212 307 G HA3 0.367 4.328 3.960 0.001 0.000 0.212 307 G C 0.562 175.495 174.900 0.056 0.000 1.181 307 G CA 0.509 45.635 45.100 0.043 0.000 0.803 307 G HN 0.566 nan 8.290 nan 0.000 0.529 308 G N -0.437 108.420 108.800 0.094 0.000 2.576 308 G HA2 0.106 4.067 3.960 0.001 0.000 0.686 308 G HA3 0.106 4.067 3.960 0.001 0.000 0.686 308 G C -0.213 174.784 174.900 0.161 0.000 1.242 308 G CA -0.386 44.768 45.100 0.090 0.000 0.819 308 G HN 0.841 nan 8.290 nan 0.000 0.655 309 Q N 0.077 119.957 119.800 0.134 0.000 2.432 309 Q HA 0.621 4.962 4.340 0.001 0.000 0.264 309 Q C -0.076 176.051 176.000 0.211 0.000 1.035 309 Q CA -0.117 55.795 55.803 0.181 0.000 0.908 309 Q CB 1.102 29.892 28.738 0.086 0.000 1.280 309 Q HN 0.643 nan 8.270 nan 0.000 0.455 310 I N 1.054 121.814 120.570 0.316 0.000 2.533 310 I HA 0.381 4.552 4.170 0.001 0.000 0.290 310 I C 0.078 176.316 176.117 0.201 0.000 1.056 310 I CA -1.141 60.281 61.300 0.202 0.000 1.057 310 I CB 2.248 40.301 38.000 0.088 0.000 1.240 310 I HN 0.872 nan 8.210 nan 0.000 0.423 311 G N 2.563 111.437 108.800 0.125 0.000 2.432 311 G HA2 0.445 4.406 3.960 0.001 0.000 0.257 311 G HA3 0.445 4.406 3.960 0.001 0.000 0.257 311 G C -0.526 174.473 174.900 0.166 0.000 1.238 311 G CA 0.015 45.195 45.100 0.134 0.000 0.838 311 G HN 0.490 nan 8.290 nan 0.000 0.547 312 T N 0.676 115.375 114.554 0.241 0.000 2.861 312 T HA 0.539 4.890 4.350 0.001 0.000 0.287 312 T C -1.689 173.267 174.700 0.427 0.000 1.003 312 T CA -0.574 61.699 62.100 0.289 0.000 0.977 312 T CB 0.926 69.954 68.868 0.268 0.000 0.996 312 T HN 0.376 nan 8.240 nan 0.000 0.448 313 F N 4.971 125.061 119.950 0.233 0.000 2.676 313 F HA 0.779 5.306 4.527 0.001 0.000 0.371 313 F C -0.651 175.310 175.800 0.268 0.000 1.141 313 F CA -1.005 57.124 58.000 0.215 0.000 1.133 313 F CB 0.204 39.259 39.000 0.092 0.000 1.376 313 F HN 0.809 nan 8.300 nan 0.000 0.491 314 A N 5.102 128.026 122.820 0.174 0.000 2.610 314 A HA 0.603 4.924 4.320 0.001 0.000 0.291 314 A C -0.118 177.509 177.584 0.073 0.000 1.086 314 A CA -0.627 51.440 52.037 0.051 0.000 0.677 314 A CB 0.806 19.958 19.000 0.253 0.000 1.278 314 A HN 0.508 nan 8.150 nan 0.000 0.414 315 I N 0.300 120.885 120.570 0.025 0.000 2.585 315 I HA -0.014 4.156 4.170 0.001 0.000 0.254 315 I C 0.599 176.770 176.117 0.090 0.000 1.129 315 I CA 0.419 61.756 61.300 0.062 0.000 1.455 315 I CB -0.091 37.944 38.000 0.058 0.000 1.111 315 I HN 0.537 nan 8.210 nan 0.000 0.433 316 N N 0.209 118.962 118.700 0.088 0.000 2.463 316 N HA 0.198 4.939 4.740 0.001 0.000 0.270 316 N C -0.066 175.623 175.510 0.298 0.000 1.205 316 N CA -0.112 53.013 53.050 0.126 0.000 0.974 316 N CB 1.963 40.460 38.487 0.017 0.000 1.197 316 N HN -0.056 nan 8.380 nan 0.000 0.504 317 F N 0.213 120.235 119.950 0.120 0.000 2.053 317 F HA 0.273 4.801 4.527 0.002 0.000 0.213 317 F C 0.616 176.548 175.800 0.220 0.000 1.216 317 F CA -0.131 57.978 58.000 0.180 0.000 1.287 317 F CB -0.379 38.679 39.000 0.098 0.000 1.781 317 F HN 0.196 nan 8.300 nan 0.000 0.297 318 S N 2.523 118.399 115.700 0.293 0.000 2.537 318 S HA 0.474 4.945 4.470 0.001 0.000 0.286 318 S C -0.654 174.019 174.600 0.120 0.000 1.299 318 S CA -0.247 58.044 58.200 0.152 0.000 1.067 318 S CB -0.193 63.118 63.200 0.186 0.000 0.864 318 S HN 0.483 nan 8.310 nan 0.000 0.494 319 R N 1.729 122.286 120.500 0.095 0.000 2.753 319 R HA 0.400 4.740 4.340 0.001 0.000 0.272 319 R C -3.651 172.663 176.300 0.022 0.000 1.034 319 R CA -1.723 54.395 56.100 0.030 0.000 0.869 319 R CB 0.426 30.703 30.300 -0.039 0.000 1.264 319 R HN 0.289 nan 8.270 nan 0.000 0.481 320 P HA 0.119 nan 4.420 nan 0.000 0.275 320 P C -0.201 177.079 177.300 -0.033 0.000 1.228 320 P CA -0.242 62.827 63.100 -0.052 0.000 0.786 320 P CB 1.574 33.233 31.700 -0.069 0.000 0.927 321 A N 2.447 125.259 122.820 -0.013 0.000 2.308 321 A HA 0.238 4.559 4.320 0.001 0.000 0.217 321 A C 2.112 179.706 177.584 0.017 0.000 1.216 321 A CA 0.841 52.914 52.037 0.060 0.000 0.864 321 A CB -1.140 17.911 19.000 0.085 0.000 0.902 321 A HN 0.608 nan 8.150 nan 0.000 0.499 322 G N 0.073 108.857 108.800 -0.028 0.000 2.442 322 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 322 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 322 G C 1.440 176.330 174.900 -0.017 0.000 1.141 322 G CA 1.224 46.309 45.100 -0.026 0.000 0.763 322 G HN 0.555 nan 8.290 nan 0.000 0.554 323 Q N -0.259 119.515 119.800 -0.042 0.000 2.167 323 Q HA 0.057 4.398 4.340 0.001 0.000 0.202 323 Q C 2.773 178.777 176.000 0.006 0.000 0.970 323 Q CA 0.842 56.622 55.803 -0.039 0.000 0.855 323 Q CB -0.280 28.407 28.738 -0.085 0.000 0.911 323 Q HN 0.355 nan 8.270 nan 0.000 0.438 324 V N 0.410 120.339 119.914 0.024 0.000 2.358 324 V HA -0.242 3.878 4.120 0.001 0.000 0.246 324 V C 1.970 178.172 176.094 0.181 0.000 1.047 324 V CA 1.565 63.953 62.300 0.147 0.000 1.035 324 V CB -0.393 31.550 31.823 0.201 0.000 0.658 324 V HN 0.366 nan 8.190 nan 0.000 0.452 325 I N 0.374 121.028 120.570 0.139 0.000 2.226 325 I HA -0.239 3.932 4.170 0.001 0.000 0.245 325 I C 2.631 178.863 176.117 0.192 0.000 1.100 325 I CA 1.537 62.940 61.300 0.171 0.000 1.374 325 I CB -0.571 37.497 38.000 0.113 0.000 1.057 325 I HN 0.286 nan 8.210 nan 0.000 0.413 326 A N 0.079 122.967 122.820 0.113 0.000 1.933 326 A HA -0.278 4.043 4.320 0.001 0.000 0.218 326 A C 2.237 179.893 177.584 0.119 0.000 1.175 326 A CA 1.883 53.988 52.037 0.114 0.000 0.628 326 A CB -0.597 18.427 19.000 0.041 0.000 0.814 326 A HN 0.430 nan 8.150 nan 0.000 0.444 327 Q N -1.388 118.436 119.800 0.041 0.000 2.084 327 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 327 Q C 1.847 177.601 176.000 -0.409 0.000 0.978 327 Q CA 2.219 57.917 55.803 -0.175 0.000 0.844 327 Q CB -0.627 28.082 28.738 -0.047 0.000 0.898 327 Q HN 0.686 nan 8.270 nan 0.000 0.426 328 Y N -0.260 119.902 120.300 -0.230 0.000 2.224 328 Y HA -0.259 4.291 4.550 0.001 0.000 0.289 328 Y C 1.980 177.905 175.900 0.041 0.000 1.146 328 Y CA 1.749 59.797 58.100 -0.087 0.000 1.182 328 Y CB -0.701 37.803 38.460 0.073 0.000 0.983 328 Y HN 0.383 nan 8.280 nan 0.000 0.524 329 Y N 1.069 121.338 120.300 -0.052 0.000 2.181 329 Y HA -0.190 4.360 4.550 0.001 0.000 0.288 329 Y C 2.162 178.030 175.900 -0.053 0.000 1.146 329 Y CA 2.167 60.219 58.100 -0.080 0.000 1.164 329 Y CB -0.370 38.088 38.460 -0.004 0.000 0.982 329 Y HN 0.088 nan 8.280 nan 0.000 0.515 330 E N -0.060 120.055 120.200 -0.142 0.000 2.077 330 E HA -0.170 4.181 4.350 0.001 0.000 0.193 330 E C 2.111 178.778 176.600 0.112 0.000 0.989 330 E CA 1.175 57.497 56.400 -0.130 0.000 0.800 330 E CB -0.690 29.018 29.700 0.015 0.000 0.746 330 E HN 0.458 nan 8.360 nan 0.000 0.452 331 F N 0.985 120.955 119.950 0.034 0.000 2.102 331 F HA -0.112 4.416 4.527 0.001 0.000 0.298 331 F C 2.474 178.213 175.800 -0.101 0.000 1.105 331 F CA 0.658 58.679 58.000 0.035 0.000 1.239 331 F CB -1.149 37.853 39.000 0.003 0.000 0.991 331 F HN -0.022 nan 8.300 nan 0.000 0.474 332 L N -0.591 120.582 121.223 -0.085 0.000 2.056 332 L HA -0.175 4.166 4.340 0.001 0.000 0.207 332 L C 2.623 179.390 176.870 -0.172 0.000 1.078 332 L CA 1.248 55.971 54.840 -0.196 0.000 0.749 332 L CB -0.518 41.311 42.059 -0.383 0.000 0.901 332 L HN 0.056 nan 8.230 nan 0.000 0.433 333 R N 0.779 121.098 120.500 -0.301 0.000 2.066 333 R HA -0.109 4.232 4.340 0.001 0.000 0.232 333 R C 2.022 178.222 176.300 -0.166 0.000 1.131 333 R CA 1.686 57.597 56.100 -0.315 0.000 0.955 333 R CB -0.455 29.444 30.300 -0.669 0.000 0.851 333 R HN 0.237 nan 8.270 nan 0.000 0.432 334 L N -0.766 120.388 121.223 -0.115 0.000 2.130 334 L HA 0.300 4.641 4.340 0.001 0.000 0.200 334 L C 1.289 178.194 176.870 0.060 0.000 1.075 334 L CA 0.391 55.200 54.840 -0.053 0.000 0.768 334 L CB -0.793 41.163 42.059 -0.173 0.000 0.933 334 L HN 0.589 nan 8.230 nan 0.000 0.451 335 G N -0.005 108.888 108.800 0.156 0.000 2.796 335 G HA2 -0.301 3.659 3.960 0.001 0.000 0.226 335 G HA3 -0.301 3.659 3.960 0.001 0.000 0.226 335 G C 0.377 175.365 174.900 0.148 0.000 1.381 335 G CA 0.232 45.398 45.100 0.111 0.000 0.867 335 G HN 0.204 nan 8.290 nan 0.000 0.552 336 R N 0.082 120.666 120.500 0.140 0.000 2.083 336 R HA -0.079 4.262 4.340 0.001 0.000 0.237 336 R C 2.616 179.016 176.300 0.168 0.000 1.137 336 R CA 2.157 58.404 56.100 0.246 0.000 0.951 336 R CB -0.292 30.147 30.300 0.232 0.000 0.851 336 R HN 0.762 nan 8.270 nan 0.000 0.434 337 E N -0.601 119.663 120.200 0.107 0.000 2.110 337 E HA -0.136 4.215 4.350 0.001 0.000 0.193 337 E C 2.038 178.657 176.600 0.032 0.000 0.988 337 E CA 1.084 57.527 56.400 0.071 0.000 0.804 337 E CB -0.133 29.596 29.700 0.049 0.000 0.745 337 E HN 0.500 nan 8.360 nan 0.000 0.458 338 G N 0.094 108.902 108.800 0.014 0.000 2.394 338 G HA2 -0.242 3.718 3.960 0.001 0.000 0.214 338 G HA3 -0.242 3.718 3.960 0.001 0.000 0.214 338 G C 1.131 175.954 174.900 -0.129 0.000 1.176 338 G CA 0.422 45.489 45.100 -0.055 0.000 0.786 338 G HN 0.195 nan 8.290 nan 0.000 0.533 339 Y N 1.508 121.621 120.300 -0.311 0.000 2.224 339 Y HA -0.107 4.444 4.550 0.001 0.000 0.289 339 Y C 3.343 179.032 175.900 -0.353 0.000 1.146 339 Y CA 1.766 59.544 58.100 -0.536 0.000 1.182 339 Y CB -0.468 37.133 38.460 -1.432 0.000 0.983 339 Y HN 0.142 nan 8.280 nan 0.000 0.524 340 T N -0.157 114.374 114.554 -0.038 0.000 2.720 340 T HA -0.201 4.150 4.350 0.001 0.000 0.268 340 T C 1.837 176.578 174.700 0.069 0.000 1.037 340 T CA 1.669 63.838 62.100 0.114 0.000 1.144 340 T CB -0.169 68.795 68.868 0.161 0.000 0.864 340 T HN 0.295 nan 8.240 nan 0.000 0.444 341 K N 0.449 120.854 120.400 0.009 0.000 2.026 341 K HA -0.040 4.281 4.320 0.001 0.000 0.208 341 K C 2.368 178.949 176.600 -0.032 0.000 1.048 341 K CA 0.995 57.276 56.287 -0.009 0.000 0.929 341 K CB -0.456 32.022 32.500 -0.036 0.000 0.713 341 K HN 0.147 nan 8.250 nan 0.000 0.439 342 V N 1.940 121.798 119.914 -0.093 0.000 2.295 342 V HA -0.257 3.864 4.120 0.001 0.000 0.246 342 V C 2.379 178.457 176.094 -0.026 0.000 1.049 342 V CA 1.674 63.898 62.300 -0.128 0.000 1.024 342 V CB -0.463 31.207 31.823 -0.255 0.000 0.648 342 V HN 0.344 nan 8.190 nan 0.000 0.447 343 Q N -0.111 119.724 119.800 0.059 0.000 2.119 343 Q HA -0.155 4.186 4.340 0.001 0.000 0.201 343 Q C 2.018 178.165 176.000 0.245 0.000 0.972 343 Q CA 1.458 57.362 55.803 0.169 0.000 0.847 343 Q CB -0.797 28.130 28.738 0.313 0.000 0.903 343 Q HN 0.736 nan 8.270 nan 0.000 0.433 344 N N 0.628 119.455 118.700 0.212 0.000 2.166 344 N HA -0.133 4.608 4.740 0.001 0.000 0.186 344 N C 1.758 177.354 175.510 0.143 0.000 1.019 344 N CA 0.924 54.096 53.050 0.205 0.000 0.856 344 N CB -0.027 38.528 38.487 0.113 0.000 0.993 344 N HN 0.252 nan 8.380 nan 0.000 0.426 345 A N 0.370 123.228 122.820 0.064 0.000 1.933 345 A HA -0.103 4.218 4.320 0.001 0.000 0.218 345 A C 2.339 179.936 177.584 0.022 0.000 1.175 345 A CA 1.432 53.480 52.037 0.017 0.000 0.628 345 A CB -0.495 18.483 19.000 -0.037 0.000 0.814 345 A HN 0.173 nan 8.150 nan 0.000 0.444 346 S N -1.599 114.112 115.700 0.019 0.000 2.383 346 S HA -0.098 4.372 4.470 0.001 0.000 0.227 346 S C 1.792 176.373 174.600 -0.031 0.000 1.026 346 S CA 1.271 59.464 58.200 -0.012 0.000 0.981 346 S CB -0.492 62.684 63.200 -0.041 0.000 0.818 346 S HN 0.657 nan 8.310 nan 0.000 0.472 347 Y N 2.146 122.466 120.300 0.033 0.000 2.293 347 Y HA -0.076 4.474 4.550 0.001 0.000 0.291 347 Y C 2.574 178.489 175.900 0.026 0.000 1.137 347 Y CA 0.874 58.984 58.100 0.017 0.000 1.202 347 Y CB -0.429 38.034 38.460 0.005 0.000 0.990 347 Y HN 0.311 nan 8.280 nan 0.000 0.537 348 Q N -0.821 119.080 119.800 0.168 0.000 2.084 348 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 348 Q C 2.340 178.396 176.000 0.093 0.000 0.978 348 Q CA 1.865 57.727 55.803 0.099 0.000 0.844 348 Q CB -0.326 28.438 28.738 0.044 0.000 0.898 348 Q HN 0.303 nan 8.270 nan 0.000 0.426 349 V N 0.778 120.732 119.914 0.066 0.000 2.358 349 V HA -0.253 3.868 4.120 0.001 0.000 0.246 349 V C 2.215 178.400 176.094 0.151 0.000 1.047 349 V CA 1.739 64.082 62.300 0.071 0.000 1.035 349 V CB -0.926 30.884 31.823 -0.021 0.000 0.658 349 V HN 0.396 nan 8.190 nan 0.000 0.452 350 A N 0.115 123.013 122.820 0.129 0.000 1.877 350 A HA -0.113 4.207 4.320 0.001 0.000 0.216 350 A C 2.422 180.070 177.584 0.107 0.000 1.186 350 A CA 2.091 54.200 52.037 0.122 0.000 0.620 350 A CB -0.798 18.247 19.000 0.076 0.000 0.822 350 A HN 0.560 nan 8.150 nan 0.000 0.443 351 A N -1.540 121.350 122.820 0.117 0.000 1.933 351 A HA -0.090 4.231 4.320 0.001 0.000 0.218 351 A C 2.133 179.752 177.584 0.059 0.000 1.175 351 A CA 1.669 53.750 52.037 0.073 0.000 0.628 351 A CB -0.789 18.259 19.000 0.079 0.000 0.814 351 A HN 0.772 nan 8.150 nan 0.000 0.444 352 Y N 0.479 120.765 120.300 -0.023 0.000 2.181 352 Y HA -0.144 4.407 4.550 0.002 0.000 0.288 352 Y C 1.891 177.755 175.900 -0.060 0.000 1.146 352 Y CA 1.780 59.852 58.100 -0.046 0.000 1.164 352 Y CB -0.340 38.091 38.460 -0.048 0.000 0.982 352 Y HN 0.205 nan 8.280 nan 0.000 0.515 353 L N -0.352 120.793 121.223 -0.130 0.000 2.056 353 L HA -0.179 4.162 4.340 0.001 0.000 0.207 353 L C 2.778 179.529 176.870 -0.198 0.000 1.078 353 L CA 1.104 55.812 54.840 -0.219 0.000 0.749 353 L CB -0.940 41.114 42.059 -0.007 0.000 0.901 353 L HN 0.360 nan 8.230 nan 0.000 0.433 354 A N -0.111 122.648 122.820 -0.101 0.000 1.902 354 A HA -0.288 4.033 4.320 0.001 0.000 0.217 354 A C 1.953 179.322 177.584 -0.359 0.000 1.181 354 A CA 2.133 54.100 52.037 -0.116 0.000 0.623 354 A CB -0.634 18.308 19.000 -0.097 0.000 0.818 354 A HN 0.423 nan 8.150 nan 0.000 0.443 355 D N -0.782 119.436 120.400 -0.303 0.000 2.117 355 D HA -0.137 4.504 4.640 0.001 0.000 0.197 355 D C 1.943 178.063 176.300 -0.300 0.000 0.987 355 D CA 1.420 55.240 54.000 -0.300 0.000 0.829 355 D CB 0.010 40.692 40.800 -0.197 0.000 0.961 355 D HN 0.384 nan 8.370 nan 0.000 0.460 356 E N 0.000 119.977 120.200 -0.373 0.000 2.072 356 E HA -0.056 4.295 4.350 0.001 0.000 0.190 356 E C 2.479 178.902 176.600 -0.296 0.000 0.982 356 E CA 0.372 56.553 56.400 -0.365 0.000 0.803 356 E CB -0.213 29.152 29.700 -0.557 0.000 0.755 356 E HN 0.472 nan 8.360 nan 0.000 0.453 357 I N 1.355 121.729 120.570 -0.326 0.000 2.361 357 I HA -0.243 3.927 4.170 0.001 0.000 0.251 357 I C 2.425 178.529 176.117 -0.020 0.000 1.133 357 I CA 0.924 62.017 61.300 -0.344 0.000 1.413 357 I CB -0.355 37.339 38.000 -0.510 0.000 1.073 357 I HN -0.019 nan 8.210 nan 0.000 0.424 358 A N 1.075 123.915 122.820 0.034 0.000 1.978 358 A HA -0.220 4.100 4.320 0.001 0.000 0.220 358 A C 2.241 179.846 177.584 0.035 0.000 1.170 358 A CA 1.575 53.693 52.037 0.134 0.000 0.636 358 A CB -0.414 18.445 19.000 -0.235 0.000 0.810 358 A HN 0.383 nan 8.150 nan 0.000 0.448 359 K N -0.378 119.991 120.400 -0.051 0.000 2.365 359 K HA 0.115 4.435 4.320 0.001 0.000 0.199 359 K C 1.194 177.775 176.600 -0.031 0.000 1.045 359 K CA 0.749 57.003 56.287 -0.054 0.000 0.962 359 K CB -0.179 32.275 32.500 -0.076 0.000 0.759 359 K HN 0.488 nan 8.250 nan 0.000 0.469 360 L N -0.241 120.983 121.223 0.002 0.000 2.567 360 L HA 0.164 4.505 4.340 0.001 0.000 0.225 360 L C 0.953 177.853 176.870 0.050 0.000 1.119 360 L CA -0.276 54.602 54.840 0.064 0.000 0.871 360 L CB 0.269 42.391 42.059 0.105 0.000 1.036 360 L HN 0.140 nan 8.230 nan 0.000 0.459 361 G N -0.324 108.354 108.800 -0.202 0.000 2.495 361 G HA2 0.319 4.280 3.960 0.001 0.000 0.294 361 G HA3 0.319 4.280 3.960 0.001 0.000 0.294 361 G C -2.973 171.400 174.900 -0.878 0.000 1.397 361 G CA -0.464 44.240 45.100 -0.661 0.000 0.790 361 G HN -0.312 nan 8.290 nan 0.000 0.486 362 P HA 0.323 nan 4.420 nan 0.000 0.238 362 P C -1.405 175.729 177.300 -0.277 0.000 1.794 362 P CA -0.032 62.847 63.100 -0.368 0.000 1.088 362 P CB -0.389 31.184 31.700 -0.212 0.000 1.923 363 Y N -0.208 120.139 120.300 0.078 0.000 2.528 363 Y HA 0.513 5.064 4.550 0.001 0.000 0.335 363 Y C 0.855 176.827 175.900 0.121 0.000 1.093 363 Y CA -1.638 56.496 58.100 0.057 0.000 1.134 363 Y CB 1.641 40.021 38.460 -0.133 0.000 1.253 363 Y HN 0.215 nan 8.280 nan 0.000 0.478 364 E N 1.930 122.278 120.200 0.248 0.000 2.155 364 E HA 0.432 4.783 4.350 0.001 0.000 0.264 364 E C -1.844 174.860 176.600 0.173 0.000 0.886 364 E CA -0.540 55.998 56.400 0.231 0.000 0.752 364 E CB 0.625 30.409 29.700 0.140 0.000 1.133 364 E HN 0.431 nan 8.360 nan 0.000 0.414 365 F N 4.422 124.451 119.950 0.132 0.000 2.396 365 F HA 0.298 4.826 4.527 0.001 0.000 0.343 365 F C 1.105 176.962 175.800 0.096 0.000 1.104 365 F CA -0.388 57.689 58.000 0.129 0.000 1.161 365 F CB 0.831 39.875 39.000 0.073 0.000 1.146 365 F HN 0.561 nan 8.300 nan 0.000 0.522 366 I N 0.760 121.451 120.570 0.200 0.000 2.927 366 I HA 0.050 4.221 4.170 0.001 0.000 0.268 366 I C 0.304 176.503 176.117 0.136 0.000 1.153 366 I CA 0.641 62.024 61.300 0.139 0.000 1.459 366 I CB 0.521 38.566 38.000 0.076 0.000 1.149 366 I HN 0.474 nan 8.210 nan 0.000 0.443 367 C N 1.011 120.407 119.300 0.160 0.000 2.608 367 C HA 0.488 4.949 4.460 0.001 0.000 0.325 367 C C 0.847 175.950 174.990 0.188 0.000 1.147 367 C CA -0.238 58.849 59.018 0.116 0.000 1.359 367 C CB 0.894 28.664 27.740 0.050 0.000 1.912 367 C HN 0.476 nan 8.230 nan 0.000 0.466 368 T N 0.457 115.087 114.554 0.126 0.000 3.296 368 T HA 0.423 4.774 4.350 0.001 0.000 0.285 368 T C 1.110 175.853 174.700 0.072 0.000 1.014 368 T CA 0.662 62.826 62.100 0.106 0.000 0.920 368 T CB 0.009 68.881 68.868 0.006 0.000 1.143 368 T HN 2.246 nan 8.240 nan 0.000 0.522 369 G N 2.256 111.106 108.800 0.084 0.000 2.179 369 G HA2 -0.287 3.674 3.960 0.001 0.000 0.257 369 G HA3 -0.287 3.674 3.960 0.001 0.000 0.257 369 G C 0.037 175.060 174.900 0.205 0.000 1.010 369 G CA -0.314 44.872 45.100 0.142 0.000 0.736 369 G HN 0.698 nan 8.290 nan 0.000 0.513 370 R N -0.087 120.459 120.500 0.077 0.000 2.298 370 R HA 0.312 4.653 4.340 0.001 0.000 0.310 370 R C -1.376 174.849 176.300 -0.125 0.000 1.068 370 R CA -1.578 54.513 56.100 -0.015 0.000 0.957 370 R CB 0.989 31.279 30.300 -0.016 0.000 1.003 370 R HN 0.049 nan 8.270 nan 0.000 0.454 371 P HA -0.178 nan 4.420 nan 0.000 0.219 371 P C 0.301 177.507 177.300 -0.156 0.000 1.146 371 P CA 1.189 63.870 63.100 -0.699 0.000 0.808 371 P CB 0.184 31.401 31.700 -0.804 0.000 0.779 372 D N -1.215 119.156 120.400 -0.047 0.000 2.340 372 D HA -0.080 4.561 4.640 0.001 0.000 0.220 372 D C 1.231 177.689 176.300 0.264 0.000 1.039 372 D CA 0.690 54.759 54.000 0.115 0.000 0.866 372 D CB -0.562 40.272 40.800 0.057 0.000 0.913 372 D HN 0.242 nan 8.370 nan 0.000 0.523 373 E N -0.673 119.602 120.200 0.125 0.000 2.453 373 E HA 0.390 4.740 4.350 0.001 0.000 0.211 373 E C 0.963 177.375 176.600 -0.315 0.000 0.897 373 E CA 0.240 56.709 56.400 0.114 0.000 1.063 373 E CB 1.305 31.032 29.700 0.044 0.000 1.080 373 E HN 0.283 nan 8.360 nan 0.000 0.512 374 G N 1.380 109.775 108.800 -0.675 0.000 2.393 374 G HA2 0.295 4.256 3.960 0.001 0.000 0.264 374 G HA3 0.295 4.256 3.960 0.001 0.000 0.264 374 G C -1.195 173.139 174.900 -0.943 0.000 1.221 374 G CA -0.629 43.595 45.100 -1.460 0.000 0.912 374 G HN 0.094 nan 8.290 nan 0.000 0.483 375 I N -1.290 118.881 120.570 -0.665 0.000 3.078 375 I HA 0.654 4.824 4.170 0.001 0.000 0.318 375 I C -2.342 173.546 176.117 -0.381 0.000 1.016 375 I CA -2.487 58.528 61.300 -0.474 0.000 1.130 375 I CB 1.909 39.629 38.000 -0.467 0.000 1.397 375 I HN 0.091 nan 8.210 nan 0.000 0.570 376 P HA 0.212 nan 4.420 nan 0.000 0.238 376 P C -0.953 176.230 177.300 -0.196 0.000 1.729 376 P CA 0.276 63.029 63.100 -0.578 0.000 1.055 376 P CB -0.230 31.053 31.700 -0.695 0.000 1.980 377 A N 0.948 123.699 122.820 -0.115 0.000 2.527 377 A HA 0.740 5.061 4.320 0.001 0.000 0.293 377 A C -1.135 176.464 177.584 0.025 0.000 1.117 377 A CA -0.634 51.372 52.037 -0.053 0.000 0.723 377 A CB 1.595 20.542 19.000 -0.088 0.000 1.313 377 A HN 0.032 nan 8.150 nan 0.000 0.411 378 V N 0.031 119.982 119.914 0.062 0.000 2.483 378 V HA 0.553 4.674 4.120 0.001 0.000 0.297 378 V C -0.745 175.430 176.094 0.136 0.000 1.027 378 V CA -0.536 61.858 62.300 0.157 0.000 0.855 378 V CB 1.043 32.988 31.823 0.204 0.000 0.995 378 V HN 1.097 nan 8.190 nan 0.000 0.424 379 C N 7.617 127.004 119.300 0.144 0.000 2.482 379 C HA 0.953 5.414 4.460 0.001 0.000 0.317 379 C C -0.849 174.130 174.990 -0.019 0.000 1.197 379 C CA -0.676 58.335 59.018 -0.012 0.000 1.432 379 C CB 0.250 27.981 27.740 -0.014 0.000 2.062 379 C HN 0.889 nan 8.230 nan 0.000 0.471 380 F N 3.810 123.531 119.950 -0.382 0.000 2.711 380 F HA 0.855 5.383 4.527 0.001 0.000 0.313 380 F C -1.024 174.537 175.800 -0.399 0.000 1.141 380 F CA -0.957 56.720 58.000 -0.538 0.000 0.941 380 F CB 1.053 39.340 39.000 -1.188 0.000 1.349 380 F HN 0.665 nan 8.300 nan 0.000 0.464 381 K N 0.870 121.188 120.400 -0.136 0.000 2.495 381 K HA 0.724 5.045 4.320 0.001 0.000 0.268 381 K C -1.841 174.832 176.600 0.121 0.000 1.008 381 K CA -1.043 55.173 56.287 -0.118 0.000 0.882 381 K CB 2.344 34.782 32.500 -0.103 0.000 1.443 381 K HN 0.811 nan 8.250 nan 0.000 0.447 382 L N 2.161 123.448 121.223 0.108 0.000 2.349 382 L HA 0.262 4.603 4.340 0.001 0.000 0.275 382 L C 0.205 177.126 176.870 0.085 0.000 1.115 382 L CA -0.632 54.313 54.840 0.175 0.000 0.820 382 L CB 0.697 42.799 42.059 0.072 0.000 1.135 382 L HN 0.572 nan 8.230 nan 0.000 0.445 383 K N 1.949 122.398 120.400 0.082 0.000 2.494 383 K HA 0.002 4.323 4.320 0.001 0.000 0.273 383 K C -0.493 176.117 176.600 0.017 0.000 0.970 383 K CA -0.358 55.957 56.287 0.047 0.000 0.963 383 K CB 0.285 32.804 32.500 0.032 0.000 0.913 383 K HN 0.452 nan 8.250 nan 0.000 0.502 384 D N 0.706 121.114 120.400 0.014 0.000 2.424 384 D HA 0.037 4.678 4.640 0.001 0.000 0.244 384 D C 1.206 177.503 176.300 -0.005 0.000 1.134 384 D CA 0.997 54.998 54.000 0.002 0.000 0.881 384 D CB 0.956 41.759 40.800 0.005 0.000 1.191 384 D HN 0.787 nan 8.370 nan 0.000 0.445 385 G N 1.683 110.477 108.800 -0.010 0.000 2.155 385 G HA2 -0.307 3.654 3.960 0.001 0.000 0.257 385 G HA3 -0.307 3.654 3.960 0.001 0.000 0.257 385 G C 0.349 175.235 174.900 -0.023 0.000 0.983 385 G CA 0.568 45.659 45.100 -0.014 0.000 0.676 385 G HN 0.508 nan 8.290 nan 0.000 0.528 386 E N 0.633 120.815 120.200 -0.030 0.000 2.166 386 E HA 0.565 4.916 4.350 0.001 0.000 0.275 386 E C -1.047 175.509 176.600 -0.074 0.000 0.941 386 E CA -0.848 55.523 56.400 -0.049 0.000 0.784 386 E CB 1.079 30.749 29.700 -0.049 0.000 1.115 386 E HN 0.124 nan 8.360 nan 0.000 0.399 387 D N 5.409 125.757 120.400 -0.087 0.000 2.389 387 D HA 0.218 4.859 4.640 0.001 0.000 0.256 387 D C -1.916 174.296 176.300 -0.147 0.000 1.239 387 D CA -1.559 52.371 54.000 -0.116 0.000 0.925 387 D CB 1.391 42.148 40.800 -0.071 0.000 1.145 387 D HN 0.350 nan 8.370 nan 0.000 0.542 388 P HA 0.215 nan 4.420 nan 0.000 0.249 388 P C 0.764 177.968 177.300 -0.160 0.000 1.229 388 P CA 0.303 63.254 63.100 -0.249 0.000 0.788 388 P CB 0.531 31.988 31.700 -0.406 0.000 1.072 389 G N -0.098 108.603 108.800 -0.165 0.000 2.134 389 G HA2 -0.157 3.804 3.960 0.001 0.000 0.209 389 G HA3 -0.157 3.804 3.960 0.001 0.000 0.209 389 G C -0.261 174.720 174.900 0.136 0.000 0.993 389 G CA -0.072 45.038 45.100 0.017 0.000 0.669 389 G HN 0.574 nan 8.290 nan 0.000 0.519 390 Y N -2.422 117.915 120.300 0.061 0.000 2.732 390 Y HA 0.688 5.239 4.550 0.001 0.000 0.342 390 Y C -0.252 175.694 175.900 0.075 0.000 1.203 390 Y CA -0.801 57.341 58.100 0.071 0.000 1.092 390 Y CB 0.230 38.736 38.460 0.075 0.000 1.345 390 Y HN 0.837 nan 8.280 nan 0.000 0.458 391 T N -0.833 113.883 114.554 0.271 0.000 2.948 391 T HA 0.494 4.845 4.350 0.001 0.000 0.285 391 T C 0.589 175.452 174.700 0.271 0.000 1.019 391 T CA -0.958 61.247 62.100 0.175 0.000 1.013 391 T CB 1.316 70.283 68.868 0.165 0.000 1.117 391 T HN 0.862 nan 8.240 nan 0.000 0.533 392 L N -0.269 120.994 121.223 0.066 0.000 2.275 392 L HA -0.031 4.309 4.340 0.001 0.000 0.215 392 L C 2.225 179.067 176.870 -0.047 0.000 1.119 392 L CA 1.161 55.979 54.840 -0.036 0.000 0.790 392 L CB -0.680 41.207 42.059 -0.286 0.000 0.919 392 L HN 0.685 nan 8.230 nan 0.000 0.443 393 Y N 0.524 120.838 120.300 0.023 0.000 2.200 393 Y HA -0.238 4.313 4.550 0.001 0.000 0.290 393 Y C 2.527 178.446 175.900 0.030 0.000 1.137 393 Y CA 1.091 59.204 58.100 0.021 0.000 1.163 393 Y CB -0.485 37.995 38.460 0.032 0.000 0.988 393 Y HN 0.254 nan 8.280 nan 0.000 0.518 394 D N -0.308 120.231 120.400 0.233 0.000 2.117 394 D HA -0.157 4.484 4.640 0.001 0.000 0.197 394 D C 2.223 178.553 176.300 0.050 0.000 0.987 394 D CA 1.052 55.141 54.000 0.148 0.000 0.829 394 D CB -0.551 40.361 40.800 0.187 0.000 0.961 394 D HN 0.260 nan 8.370 nan 0.000 0.460 395 L N 0.886 122.109 121.223 0.000 0.000 2.083 395 L HA -0.120 4.221 4.340 0.001 0.000 0.209 395 L C 2.317 179.118 176.870 -0.116 0.000 1.083 395 L CA 1.454 56.191 54.840 -0.170 0.000 0.752 395 L CB -0.726 41.180 42.059 -0.255 0.000 0.899 395 L HN -0.122 nan 8.230 nan 0.000 0.433 396 S N -0.846 114.834 115.700 -0.032 0.000 2.368 396 S HA -0.275 4.196 4.470 0.001 0.000 0.225 396 S C 2.071 176.689 174.600 0.030 0.000 1.030 396 S CA 1.601 59.805 58.200 0.007 0.000 0.999 396 S CB -0.367 62.867 63.200 0.056 0.000 0.844 396 S HN 0.670 nan 8.310 nan 0.000 0.459 397 E N 0.105 120.330 120.200 0.041 0.000 2.077 397 E HA -0.171 4.180 4.350 0.001 0.000 0.193 397 E C 2.340 178.938 176.600 -0.004 0.000 0.989 397 E CA 0.876 57.295 56.400 0.031 0.000 0.800 397 E CB -0.053 29.670 29.700 0.038 0.000 0.746 397 E HN 0.264 nan 8.360 nan 0.000 0.452 398 R N 0.376 120.857 120.500 -0.032 0.000 2.083 398 R HA -0.127 4.214 4.340 0.001 0.000 0.237 398 R C 2.543 178.819 176.300 -0.041 0.000 1.137 398 R CA 0.968 57.024 56.100 -0.073 0.000 0.951 398 R CB -0.979 29.262 30.300 -0.099 0.000 0.851 398 R HN 0.345 nan 8.270 nan 0.000 0.434 399 L N 0.075 121.288 121.223 -0.016 0.000 2.131 399 L HA -0.117 4.224 4.340 0.001 0.000 0.210 399 L C 2.760 179.726 176.870 0.160 0.000 1.092 399 L CA 1.169 56.059 54.840 0.083 0.000 0.759 399 L CB -0.332 41.761 42.059 0.055 0.000 0.903 399 L HN 0.135 nan 8.230 nan 0.000 0.435 400 R N 0.468 121.023 120.500 0.092 0.000 2.096 400 R HA -0.137 4.203 4.340 0.001 0.000 0.235 400 R C 2.193 178.513 176.300 0.034 0.000 1.127 400 R CA 1.177 57.324 56.100 0.077 0.000 0.968 400 R CB -0.158 30.175 30.300 0.054 0.000 0.861 400 R HN 0.300 nan 8.270 nan 0.000 0.440 401 L N -0.086 121.139 121.223 0.003 0.000 2.362 401 L HA -0.058 4.283 4.340 0.001 0.000 0.219 401 L C 1.734 178.590 176.870 -0.023 0.000 1.134 401 L CA 1.011 55.831 54.840 -0.034 0.000 0.807 401 L CB -0.072 41.934 42.059 -0.087 0.000 0.927 401 L HN 0.131 nan 8.230 nan 0.000 0.447 402 R N -0.499 120.020 120.500 0.031 0.000 2.359 402 R HA 0.191 4.532 4.340 0.001 0.000 0.231 402 R C 1.237 177.525 176.300 -0.021 0.000 0.913 402 R CA 0.543 56.679 56.100 0.060 0.000 1.075 402 R CB 0.547 30.957 30.300 0.184 0.000 1.087 402 R HN 0.339 nan 8.270 nan 0.000 0.515 403 G N 0.061 108.830 108.800 -0.053 0.000 2.195 403 G HA2 -0.239 3.722 3.960 0.001 0.000 0.246 403 G HA3 -0.239 3.722 3.960 0.001 0.000 0.246 403 G C -0.383 174.397 174.900 -0.201 0.000 0.984 403 G CA -0.338 44.652 45.100 -0.182 0.000 0.633 403 G HN 0.261 nan 8.290 nan 0.000 0.525 404 W N 0.489 121.806 121.300 0.029 0.000 2.438 404 W HA 0.710 5.370 4.660 0.001 0.000 0.324 404 W C 0.363 176.891 176.519 0.015 0.000 1.119 404 W CA -0.888 56.476 57.345 0.031 0.000 1.221 404 W CB 1.282 30.774 29.460 0.053 0.000 1.253 404 W HN 0.104 nan 8.180 nan 0.000 0.555 405 Q N 2.605 122.564 119.800 0.266 0.000 2.425 405 Q HA 0.454 4.795 4.340 0.001 0.000 0.254 405 Q C -1.617 174.470 176.000 0.144 0.000 1.032 405 Q CA -0.406 55.495 55.803 0.163 0.000 0.798 405 Q CB 0.985 29.793 28.738 0.116 0.000 1.210 405 Q HN 0.379 nan 8.270 nan 0.000 0.491 406 V N 7.598 127.583 119.914 0.119 0.000 2.304 406 V HA 0.457 4.578 4.120 0.001 0.000 0.278 406 V C -2.129 173.996 176.094 0.052 0.000 1.018 406 V CA -1.691 60.647 62.300 0.062 0.000 0.814 406 V CB 1.222 33.069 31.823 0.039 0.000 1.021 406 V HN 0.744 nan 8.190 nan 0.000 0.440 407 P HA 0.274 nan 4.420 nan 0.000 0.268 407 P C -0.587 176.726 177.300 0.021 0.000 1.204 407 P CA 0.213 63.405 63.100 0.153 0.000 0.768 407 P CB 1.428 33.298 31.700 0.282 0.000 0.842 408 A N 4.212 127.049 122.820 0.028 0.000 2.355 408 A HA 0.858 5.179 4.320 0.001 0.000 0.317 408 A C -0.797 176.736 177.584 -0.084 0.000 1.094 408 A CA -0.524 51.344 52.037 -0.282 0.000 0.764 408 A CB 0.690 19.506 19.000 -0.308 0.000 1.230 408 A HN 0.547 nan 8.150 nan 0.000 0.448 409 F N -0.839 118.985 119.950 -0.211 0.000 2.741 409 F HA 0.720 5.248 4.527 0.001 0.000 0.311 409 F C -0.092 175.658 175.800 -0.083 0.000 1.149 409 F CA -0.571 57.402 58.000 -0.044 0.000 0.930 409 F CB 0.931 39.968 39.000 0.062 0.000 1.312 409 F HN 0.555 nan 8.300 nan 0.000 0.450 410 T N 0.590 115.311 114.554 0.279 0.000 2.882 410 T HA 0.695 5.045 4.350 0.001 0.000 0.287 410 T C -0.219 174.609 174.700 0.213 0.000 0.992 410 T CA -0.713 61.480 62.100 0.154 0.000 1.076 410 T CB 1.086 70.049 68.868 0.158 0.000 0.961 410 T HN 0.759 nan 8.240 nan 0.000 0.490 411 L N 1.893 123.172 121.223 0.093 0.000 2.456 411 L HA 0.620 4.960 4.340 0.001 0.000 0.257 411 L C 1.339 178.188 176.870 -0.035 0.000 1.162 411 L CA -0.740 54.115 54.840 0.025 0.000 0.808 411 L CB 0.452 42.498 42.059 -0.023 0.000 1.136 411 L HN 0.983 nan 8.230 nan 0.000 0.466 412 G N -1.157 107.563 108.800 -0.134 0.000 2.857 412 G HA2 0.573 4.534 3.960 0.001 0.000 0.217 412 G HA3 0.573 4.534 3.960 0.001 0.000 0.217 412 G C 0.271 175.119 174.900 -0.086 0.000 1.357 412 G CA -0.084 44.957 45.100 -0.099 0.000 1.033 412 G HN 0.963 nan 8.290 nan 0.000 0.571 413 G N -0.168 108.595 108.800 -0.063 0.000 2.596 413 G HA2 -0.290 3.671 3.960 0.001 0.000 0.304 413 G HA3 -0.290 3.671 3.960 0.001 0.000 0.304 413 G C 0.517 175.394 174.900 -0.038 0.000 1.189 413 G CA 0.729 45.800 45.100 -0.049 0.000 0.986 413 G HN 0.771 nan 8.290 nan 0.000 0.548 414 E N 1.508 121.683 120.200 -0.043 0.000 2.511 414 E HA 0.539 4.890 4.350 0.001 0.000 0.214 414 E C 0.780 177.359 176.600 -0.034 0.000 1.062 414 E CA 0.421 56.800 56.400 -0.034 0.000 1.213 414 E CB 0.570 30.248 29.700 -0.037 0.000 1.214 414 E HN 0.955 nan 8.360 nan 0.000 0.441 415 A N 0.513 123.311 122.820 -0.036 0.000 2.543 415 A HA 0.042 4.362 4.320 0.001 0.000 0.279 415 A C 1.468 179.038 177.584 -0.023 0.000 0.917 415 A CA -0.340 51.678 52.037 -0.032 0.000 1.036 415 A CB -0.345 18.630 19.000 -0.040 0.000 1.227 415 A HN 0.232 nan 8.150 nan 0.000 0.503 416 T N -3.181 111.364 114.554 -0.014 0.000 3.098 416 T HA -0.092 4.259 4.350 0.001 0.000 0.266 416 T C 0.851 175.559 174.700 0.013 0.000 1.145 416 T CA 1.757 63.859 62.100 0.003 0.000 1.092 416 T CB -0.264 68.609 68.868 0.007 0.000 0.908 416 T HN 0.263 nan 8.240 nan 0.000 0.526 417 D N -0.013 120.388 120.400 0.002 0.000 2.349 417 D HA 0.161 4.802 4.640 0.001 0.000 0.214 417 D C -0.160 176.135 176.300 -0.009 0.000 1.063 417 D CA -0.199 53.804 54.000 0.004 0.000 0.847 417 D CB 0.050 40.851 40.800 0.001 0.000 0.933 417 D HN 0.316 nan 8.370 nan 0.000 0.513 418 I N 1.718 122.275 120.570 -0.021 0.000 2.336 418 I HA 0.253 4.424 4.170 0.001 0.000 0.292 418 I C -0.220 175.843 176.117 -0.090 0.000 0.991 418 I CA -0.834 60.435 61.300 -0.052 0.000 1.227 418 I CB 1.302 39.272 38.000 -0.050 0.000 1.366 418 I HN -0.282 nan 8.210 nan 0.000 0.466 419 V N 7.283 127.105 119.914 -0.153 0.000 2.384 419 V HA 0.486 4.607 4.120 0.001 0.000 0.287 419 V C 0.200 176.054 176.094 -0.399 0.000 1.020 419 V CA -0.622 61.504 62.300 -0.289 0.000 0.850 419 V CB 2.049 33.663 31.823 -0.349 0.000 0.987 419 V HN 0.584 nan 8.190 nan 0.000 0.436 420 V N 2.955 122.527 119.914 -0.569 0.000 3.103 420 V HA 0.765 4.885 4.120 0.001 0.000 0.318 420 V C -0.515 175.010 176.094 -0.949 0.000 1.114 420 V CA -0.982 60.894 62.300 -0.707 0.000 1.020 420 V CB 2.169 33.631 31.823 -0.603 0.000 1.085 420 V HN 0.836 nan 8.190 nan 0.000 0.446 421 M N 2.675 121.662 119.600 -1.023 0.000 2.321 421 M HA 0.623 5.104 4.480 0.001 0.000 0.315 421 M C -0.821 175.054 176.300 -0.707 0.000 1.052 421 M CA -0.638 54.114 55.300 -0.913 0.000 0.936 421 M CB 1.690 33.633 32.600 -1.095 0.000 1.639 421 M HN 0.941 nan 8.290 nan 0.000 0.433 422 R N 5.541 125.816 120.500 -0.376 0.000 2.513 422 R HA 0.649 4.990 4.340 0.001 0.000 0.301 422 R C -1.932 174.331 176.300 -0.063 0.000 0.968 422 R CA -0.461 55.554 56.100 -0.142 0.000 0.872 422 R CB 1.285 31.615 30.300 0.050 0.000 1.177 422 R HN 0.806 nan 8.270 nan 0.000 0.444 423 I N 4.915 125.464 120.570 -0.035 0.000 2.362 423 I HA 0.289 4.460 4.170 0.001 0.000 0.289 423 I C -0.344 175.723 176.117 -0.083 0.000 0.994 423 I CA -0.963 60.313 61.300 -0.039 0.000 1.158 423 I CB 1.875 39.894 38.000 0.031 0.000 1.315 423 I HN 0.485 nan 8.210 nan 0.000 0.451 424 M N 6.864 126.364 119.600 -0.167 0.000 2.157 424 M HA 0.345 4.826 4.480 0.001 0.000 0.354 424 M C -1.036 175.171 176.300 -0.154 0.000 1.170 424 M CA -0.087 55.083 55.300 -0.217 0.000 1.060 424 M CB 0.717 33.081 32.600 -0.394 0.000 1.615 424 M HN 0.579 nan 8.290 nan 0.000 0.460 425 C N 6.425 125.717 119.300 -0.014 0.000 2.184 425 C HA 0.543 5.004 4.460 0.001 0.000 0.328 425 C C 0.404 175.472 174.990 0.131 0.000 1.081 425 C CA -0.836 58.268 59.018 0.143 0.000 1.533 425 C CB -1.078 26.792 27.740 0.217 0.000 1.905 425 C HN 0.831 nan 8.230 nan 0.000 0.439 426 R N 0.927 121.454 120.500 0.045 0.000 2.608 426 R HA 0.497 4.838 4.340 0.001 0.000 0.255 426 R C 0.399 176.697 176.300 -0.002 0.000 1.086 426 R CA -0.854 55.232 56.100 -0.024 0.000 1.125 426 R CB 0.900 31.115 30.300 -0.142 0.000 1.193 426 R HN 0.594 nan 8.270 nan 0.000 0.553 427 R N 0.139 120.587 120.500 -0.087 0.000 2.538 427 R HA 0.007 4.347 4.340 0.001 0.000 0.282 427 R C 0.493 176.665 176.300 -0.213 0.000 1.009 427 R CA 1.632 57.606 56.100 -0.210 0.000 1.063 427 R CB 0.039 30.147 30.300 -0.320 0.000 0.945 427 R HN 0.912 nan 8.270 nan 0.000 0.414 428 G N 3.777 112.412 108.800 -0.274 0.000 2.259 428 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 428 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 428 G C -0.182 174.576 174.900 -0.236 0.000 1.001 428 G CA -0.035 44.967 45.100 -0.163 0.000 0.627 428 G HN 0.581 nan 8.290 nan 0.000 0.501 429 F N 4.539 124.313 119.950 -0.293 0.000 2.567 429 F HA 0.576 5.104 4.527 0.001 0.000 0.352 429 F C 0.546 176.286 175.800 -0.099 0.000 1.229 429 F CA -1.460 56.375 58.000 -0.274 0.000 1.228 429 F CB -0.029 38.922 39.000 -0.082 0.000 1.568 429 F HN 0.078 nan 8.300 nan 0.000 0.634 430 E N 4.105 124.181 120.200 -0.206 0.000 2.369 430 E HA 0.047 4.398 4.350 0.001 0.000 0.255 430 E C 1.561 178.118 176.600 -0.072 0.000 1.172 430 E CA -0.400 56.002 56.400 0.005 0.000 0.932 430 E CB 0.519 30.376 29.700 0.261 0.000 1.040 430 E HN 0.470 nan 8.360 nan 0.000 0.454 431 M N 1.322 120.859 119.600 -0.104 0.000 2.106 431 M HA -0.183 4.298 4.480 0.001 0.000 0.259 431 M C 1.325 177.542 176.300 -0.139 0.000 1.068 431 M CA 1.670 56.848 55.300 -0.203 0.000 1.100 431 M CB -0.959 31.486 32.600 -0.258 0.000 1.351 431 M HN 0.505 nan 8.290 nan 0.000 0.404 432 D N -0.805 119.561 120.400 -0.057 0.000 2.219 432 D HA -0.175 4.466 4.640 0.001 0.000 0.205 432 D C 1.857 178.102 176.300 -0.091 0.000 0.970 432 D CA 1.110 55.052 54.000 -0.098 0.000 0.851 432 D CB -0.802 39.906 40.800 -0.155 0.000 0.943 432 D HN 0.314 nan 8.370 nan 0.000 0.488 433 F N 1.890 121.814 119.950 -0.043 0.000 2.206 433 F HA 0.126 4.653 4.527 0.001 0.000 0.298 433 F C 2.912 178.748 175.800 0.059 0.000 1.090 433 F CA 0.891 58.964 58.000 0.122 0.000 1.323 433 F CB -0.505 38.590 39.000 0.158 0.000 1.028 433 F HN 0.021 nan 8.300 nan 0.000 0.492 434 A N -0.009 122.745 122.820 -0.110 0.000 1.930 434 A HA -0.164 4.157 4.320 0.001 0.000 0.217 434 A C 2.082 179.736 177.584 0.116 0.000 1.175 434 A CA 1.594 53.583 52.037 -0.080 0.000 0.627 434 A CB -0.668 18.270 19.000 -0.104 0.000 0.815 434 A HN 0.422 nan 8.150 nan 0.000 0.443 435 E N -0.694 119.584 120.200 0.131 0.000 2.106 435 E HA -0.170 4.180 4.350 0.001 0.000 0.192 435 E C 1.918 178.589 176.600 0.118 0.000 0.984 435 E CA 1.166 57.658 56.400 0.153 0.000 0.806 435 E CB -0.248 29.500 29.700 0.081 0.000 0.750 435 E HN 0.525 nan 8.360 nan 0.000 0.458 436 L N 1.256 122.567 121.223 0.146 0.000 2.093 436 L HA -0.113 4.227 4.340 0.001 0.000 0.208 436 L C 2.052 179.067 176.870 0.241 0.000 1.085 436 L CA 1.290 56.264 54.840 0.223 0.000 0.755 436 L CB -0.330 41.919 42.059 0.316 0.000 0.904 436 L HN 0.159 nan 8.230 nan 0.000 0.435 437 L N -1.121 120.153 121.223 0.085 0.000 2.012 437 L HA -0.252 4.089 4.340 0.001 0.000 0.210 437 L C 2.495 179.292 176.870 -0.121 0.000 1.073 437 L CA 1.796 56.403 54.840 -0.389 0.000 0.748 437 L CB -0.241 41.456 42.059 -0.603 0.000 0.891 437 L HN 0.361 nan 8.230 nan 0.000 0.431 438 L N -0.496 120.710 121.223 -0.029 0.000 2.046 438 L HA -0.226 4.115 4.340 0.001 0.000 0.208 438 L C 2.721 179.635 176.870 0.075 0.000 1.077 438 L CA 1.099 55.934 54.840 -0.008 0.000 0.747 438 L CB -0.564 41.465 42.059 -0.049 0.000 0.896 438 L HN 0.280 nan 8.230 nan 0.000 0.432 439 E N 0.059 120.313 120.200 0.089 0.000 2.077 439 E HA -0.207 4.144 4.350 0.001 0.000 0.193 439 E C 1.787 178.464 176.600 0.127 0.000 0.989 439 E CA 1.165 57.628 56.400 0.105 0.000 0.800 439 E CB -0.285 29.477 29.700 0.105 0.000 0.746 439 E HN 0.497 nan 8.360 nan 0.000 0.452 440 D N -0.312 120.179 120.400 0.152 0.000 2.178 440 D HA -0.138 4.503 4.640 0.001 0.000 0.202 440 D C 1.844 178.211 176.300 0.111 0.000 0.974 440 D CA 0.580 54.676 54.000 0.159 0.000 0.841 440 D CB -0.269 40.700 40.800 0.281 0.000 0.953 440 D HN 0.204 nan 8.370 nan 0.000 0.478 441 Y N 2.011 122.294 120.300 -0.029 0.000 2.163 441 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 441 Y C 2.154 178.049 175.900 -0.009 0.000 1.136 441 Y CA 1.553 59.629 58.100 -0.041 0.000 1.147 441 Y CB 0.060 38.480 38.460 -0.067 0.000 0.987 441 Y HN -0.182 nan 8.280 nan 0.000 0.509 442 K N -0.285 120.274 120.400 0.266 0.000 2.057 442 K HA -0.168 4.153 4.320 0.001 0.000 0.207 442 K C 2.336 179.001 176.600 0.108 0.000 1.049 442 K CA 1.248 57.643 56.287 0.180 0.000 0.931 442 K CB -0.441 32.135 32.500 0.126 0.000 0.714 442 K HN 0.364 nan 8.250 nan 0.000 0.440 443 A N 1.050 123.927 122.820 0.095 0.000 1.902 443 A HA -0.175 4.146 4.320 0.001 0.000 0.217 443 A C 2.208 179.832 177.584 0.066 0.000 1.181 443 A CA 1.954 54.041 52.037 0.083 0.000 0.623 443 A CB -0.573 18.474 19.000 0.078 0.000 0.818 443 A HN 0.190 nan 8.150 nan 0.000 0.443 444 S N -0.182 115.520 115.700 0.003 0.000 2.383 444 S HA -0.059 4.412 4.470 0.001 0.000 0.227 444 S C 1.810 176.373 174.600 -0.062 0.000 1.026 444 S CA 1.309 59.475 58.200 -0.056 0.000 0.981 444 S CB -0.420 62.674 63.200 -0.177 0.000 0.818 444 S HN 0.513 nan 8.310 nan 0.000 0.472 445 L N 1.265 122.434 121.223 -0.090 0.000 2.017 445 L HA -0.125 4.216 4.340 0.001 0.000 0.208 445 L C 2.589 179.476 176.870 0.028 0.000 1.073 445 L CA 1.348 56.133 54.840 -0.092 0.000 0.745 445 L CB -0.471 41.592 42.059 0.007 0.000 0.894 445 L HN 0.273 nan 8.230 nan 0.000 0.432 446 K N -0.505 119.941 120.400 0.077 0.000 2.063 446 K HA -0.265 4.056 4.320 0.001 0.000 0.208 446 K C 2.290 178.973 176.600 0.137 0.000 1.048 446 K CA 1.652 58.000 56.287 0.101 0.000 0.928 446 K CB -0.265 32.298 32.500 0.105 0.000 0.713 446 K HN 0.124 nan 8.250 nan 0.000 0.442 447 Y N 1.280 121.609 120.300 0.048 0.000 2.181 447 Y HA -0.175 4.376 4.550 0.001 0.000 0.288 447 Y C 1.779 177.763 175.900 0.141 0.000 1.146 447 Y CA 1.518 59.666 58.100 0.081 0.000 1.164 447 Y CB -0.037 38.398 38.460 -0.041 0.000 0.982 447 Y HN 0.017 nan 8.280 nan 0.000 0.515 448 L N -1.298 120.028 121.223 0.172 0.000 2.141 448 L HA -0.219 4.122 4.340 0.001 0.000 0.209 448 L C 2.763 179.702 176.870 0.114 0.000 1.094 448 L CA 1.523 56.438 54.840 0.124 0.000 0.763 448 L CB -0.714 41.363 42.059 0.030 0.000 0.908 448 L HN 0.189 nan 8.230 nan 0.000 0.437 449 S N -0.269 115.488 115.700 0.095 0.000 2.355 449 S HA -0.182 4.289 4.470 0.001 0.000 0.222 449 S C 1.552 176.158 174.600 0.010 0.000 1.031 449 S CA 1.470 59.715 58.200 0.074 0.000 0.993 449 S CB -0.158 63.083 63.200 0.069 0.000 0.859 449 S HN 0.409 nan 8.310 nan 0.000 0.453 450 D N 0.123 120.512 120.400 -0.018 0.000 2.348 450 D HA 0.028 4.669 4.640 0.001 0.000 0.216 450 D C -0.164 175.853 176.300 -0.471 0.000 0.970 450 D CA 0.756 54.642 54.000 -0.191 0.000 0.889 450 D CB -0.114 40.572 40.800 -0.190 0.000 0.912 450 D HN 0.558 nan 8.370 nan 0.000 0.524 451 H N -1.468 117.477 119.070 -0.209 0.000 2.379 451 H HA 0.232 4.788 4.556 0.001 0.000 0.229 451 H C -1.855 173.441 175.328 -0.053 0.000 1.423 451 H CA -1.464 54.481 56.048 -0.171 0.000 1.375 451 H CB 1.054 30.635 29.762 -0.302 0.000 1.592 451 H HN -0.107 nan 8.280 nan 0.000 0.507 452 P HA -0.208 nan 4.420 nan 0.000 0.219 452 P C 1.198 178.538 177.300 0.066 0.000 1.144 452 P CA 1.328 64.460 63.100 0.054 0.000 0.806 452 P CB 0.358 32.070 31.700 0.020 0.000 0.771 453 K N -0.928 119.509 120.400 0.062 0.000 2.360 453 K HA -0.051 4.270 4.320 0.001 0.000 0.201 453 K C 1.812 178.460 176.600 0.081 0.000 1.046 453 K CA 0.724 57.048 56.287 0.062 0.000 0.945 453 K CB -0.447 32.087 32.500 0.057 0.000 0.750 453 K HN 0.249 nan 8.250 nan 0.000 0.464 454 L N 0.782 122.070 121.223 0.107 0.000 2.109 454 L HA -0.118 4.223 4.340 0.001 0.000 0.207 454 L C 1.407 178.345 176.870 0.113 0.000 1.086 454 L CA 0.472 55.381 54.840 0.115 0.000 0.760 454 L CB -0.294 41.851 42.059 0.143 0.000 0.910 454 L HN 0.297 nan 8.230 nan 0.000 0.437 455 Q N 0.471 120.345 119.800 0.124 0.000 2.304 455 Q HA -0.007 4.334 4.340 0.001 0.000 0.315 455 Q C 1.075 177.134 176.000 0.097 0.000 1.075 455 Q CA 0.989 56.869 55.803 0.129 0.000 0.988 455 Q CB 0.308 29.114 28.738 0.114 0.000 1.146 455 Q HN 0.420 nan 8.270 nan 0.000 0.383 456 G N 3.599 112.464 108.800 0.108 0.000 2.205 456 G HA2 -0.293 3.668 3.960 0.001 0.000 0.261 456 G HA3 -0.293 3.668 3.960 0.001 0.000 0.261 456 G C 0.567 175.504 174.900 0.062 0.000 0.980 456 G CA 0.420 45.572 45.100 0.085 0.000 0.632 456 G HN 0.698 nan 8.290 nan 0.000 0.533 457 I N 1.379 121.986 120.570 0.062 0.000 2.162 457 I HA 0.173 4.344 4.170 0.001 0.000 0.238 457 I C 2.177 178.295 176.117 0.001 0.000 1.076 457 I CA 0.967 62.287 61.300 0.033 0.000 1.353 457 I CB -0.518 37.507 38.000 0.042 0.000 1.063 457 I HN 0.392 nan 8.210 nan 0.000 0.408 458 A N 1.817 124.648 122.820 0.018 0.000 2.520 458 A HA 0.105 4.426 4.320 0.001 0.000 0.245 458 A C 0.600 178.039 177.584 -0.241 0.000 1.072 458 A CA 0.119 52.130 52.037 -0.043 0.000 0.761 458 A CB -0.140 18.895 19.000 0.058 0.000 1.004 458 A HN 0.608 nan 8.150 nan 0.000 0.499 459 Q N 0.880 120.426 119.800 -0.423 0.000 1.989 459 Q HA 0.261 4.602 4.340 0.001 0.000 0.215 459 Q C -0.394 175.202 176.000 -0.672 0.000 0.809 459 Q CA -0.388 54.976 55.803 -0.733 0.000 1.024 459 Q CB 0.099 28.647 28.738 -0.317 0.000 1.236 459 Q HN 0.601 nan 8.270 nan 0.000 0.429 460 Q N 1.676 121.170 119.800 -0.510 0.000 2.322 460 Q HA 0.349 4.690 4.340 0.001 0.000 0.265 460 Q C -1.102 174.901 176.000 0.004 0.000 0.985 460 Q CA -0.290 55.398 55.803 -0.193 0.000 0.849 460 Q CB 1.186 29.879 28.738 -0.075 0.000 1.274 460 Q HN 0.138 nan 8.270 nan 0.000 0.449 461 N N 1.755 120.539 118.700 0.141 0.000 2.492 461 N HA 0.143 4.883 4.740 0.001 0.000 0.262 461 N C -0.622 175.020 175.510 0.220 0.000 1.202 461 N CA 0.207 53.441 53.050 0.307 0.000 0.926 461 N CB 0.902 39.546 38.487 0.263 0.000 1.078 461 N HN 0.540 nan 8.380 nan 0.000 0.454 462 S N 0.878 116.736 115.700 0.263 0.000 2.681 462 S HA 0.281 4.752 4.470 0.001 0.000 0.270 462 S C 0.066 174.779 174.600 0.189 0.000 1.209 462 S CA -0.638 57.692 58.200 0.217 0.000 0.988 462 S CB 0.476 63.812 63.200 0.228 0.000 1.006 462 S HN 0.453 nan 8.310 nan 0.000 0.558 463 F N 2.701 122.682 119.950 0.051 0.000 2.578 463 F HA 0.186 4.714 4.527 0.001 0.000 0.381 463 F C 1.194 176.998 175.800 0.006 0.000 1.069 463 F CA -0.025 57.983 58.000 0.014 0.000 1.231 463 F CB 0.292 39.306 39.000 0.024 0.000 1.086 463 F HN 0.566 nan 8.300 nan 0.000 0.564 464 K N 3.680 123.658 120.400 -0.704 0.000 2.536 464 K HA 0.141 4.462 4.320 0.001 0.000 0.203 464 K C 0.100 176.296 176.600 -0.672 0.000 1.063 464 K CA 0.003 55.913 56.287 -0.629 0.000 1.063 464 K CB -0.219 31.736 32.500 -0.908 0.000 0.843 464 K HN 0.814 nan 8.250 nan 0.000 0.521 465 H N -0.328 117.886 119.070 -1.428 0.000 3.257 465 H HA -0.176 4.381 4.556 0.001 0.000 0.222 465 H C -1.006 173.969 175.328 -0.587 0.000 1.143 465 H CA 1.547 57.032 56.048 -0.939 0.000 1.152 465 H CB -1.261 28.207 29.762 -0.489 0.000 1.188 465 H HN 0.550 nan 8.280 nan 0.000 0.315 466 T N 0.000 114.146 114.554 -0.680 0.000 3.816 466 T HA 0.000 4.351 4.350 0.001 0.000 0.228 466 T CA 0.000 61.800 62.100 -0.500 0.000 1.349 466 T CB 0.000 68.514 68.868 -0.590 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658